USER MOD reduce.3.24.130724 H: found=0, std=0, add=1425, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1426 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 166 MET CE :methyl -127:sc= -0.61 (180deg=-2!) USER MOD Set 1.2: A 181 THR OG1 : rot 57:sc= 1.25 USER MOD Set 2.1: A 56 MET CE :methyl 144:sc= -0.212 (180deg=-1.06) USER MOD Set 2.2: A 153 MET CE :methyl -170:sc= -2.11 (180deg=-2.16) USER MOD Set 3.1: A 27 SER OG : rot 46:sc= 1.23 USER MOD Set 3.2: A 60 HIS : no HE2:sc= 0.588 K(o=0.93,f=-13!) USER MOD Set 3.3: A 62 ASN : amide:sc= -3.06! C(o=0.93!,f=-6.2!) USER MOD Set 3.4: A 73 THR OG1 : rot 170:sc= 2.17 USER MOD Set 4.1: A 43 SER OG : rot -57:sc= 2.26 USER MOD Set 4.2: A 58 LYS NZ :NH3+ 171:sc= 3.61 (180deg=2.13) USER MOD Set 5.1: A 49 LYS NZ :NH3+ -170:sc= 1.92 (180deg=1.08) USER MOD Set 5.2: A 176 GLN : amide:sc= -0.228 K(o=1.7,f=-3.1) USER MOD Set 6.1: A 30 CYS SG : rot 110:sc= -1.29 USER MOD Set 6.2: A 64 MET CE :methyl 165:sc= 0 (180deg=0) USER MOD Set 7.1: A 10 THR OG1 : rot 119:sc= 1.01 USER MOD Set 7.2: A 160 GLN : amide:sc= 0.723 K(o=1.7,f=-2.5!) USER MOD Single : A 3 TYR OH : rot -129:sc= 0.655 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.418 K(o=-0.42,f=-7.3!) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 93:sc= 1.22 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0.788 K(o=0.79,f=-5!) USER MOD Single : A 32 HIS : no HE2:sc= -0.61 K(o=-0.61,f=-4!) USER MOD Single : A 33 CYS SG : rot -70:sc= -0.106 USER MOD Single : A 34 TYR OH : rot 78:sc= 1.29 USER MOD Single : A 35 GLN : amide:sc= -0.177 K(o=-0.18,f=-1.5!) USER MOD Single : A 41 HIS : +bothHN:sc= 2.19 K(o=2.2,f=-10!) USER MOD Single : A 45 ASN : amide:sc= 0.953 K(o=0.95,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot -170:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= 0.238 K(o=0.24,f=-1.2!) USER MOD Single : A 80 MET CE :methyl -168:sc= -0.539 (180deg=-1.21) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 8:sc= -0.751! USER MOD Single : A 97 GLN : amide:sc= 0.761 K(o=0.76,f=-3!) USER MOD Single : A 98 LYS NZ :NH3+ 158:sc= 1.04 (180deg=-0.368) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.0981 USER MOD Single : A 100 GLN : amide:sc= 0.0131 K(o=0.013,f=-0.65) USER MOD Single : A 101 THR OG1 : rot 180:sc= -1.03 USER MOD Single : A 104 SER OG : rot 2:sc= 0.806 USER MOD Single : A 106 SER OG : rot 180:sc= 0.00777 USER MOD Single : A 114 ASN : amide:sc=-0.000271 X(o=-0.00027,f=-0.045) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 TYR OH : rot -95:sc= 0.717 USER MOD Single : A 127 ASN : amide:sc= 0.633 K(o=0.63,f=0) USER MOD Single : A 128 SER OG : rot 35:sc= 0.35 USER MOD Single : A 132 LYS NZ :NH3+ 168:sc= -0.0107 (180deg=-0.175) USER MOD Single : A 133 SER OG : rot 72:sc= 0.628 USER MOD Single : A 137 GLN :FLIP amide:sc= -0.339 F(o=-0.87,f=-0.34) USER MOD Single : A 138 GLN : amide:sc= 0.115! C(o=0.12!,f=-5.3!) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 146 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 156 ASN : amide:sc= -0.563 K(o=-0.56,f=-3.1!) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 159 TYR OH : rot 180:sc= 0 USER MOD Single : A 162 ASN : amide:sc= -0.528 K(o=-0.53,f=-4.5!) USER MOD Single : A 164 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 168 THR OG1 : rot 180:sc= 0 USER MOD Single : A 169 SER OG : rot 112:sc= 0.994 USER MOD Single : A 170 ASN : amide:sc= 0.0467 K(o=0.047,f=-7.1!) USER MOD Single : A 171 MET CE :methyl -170:sc= -0.46 (180deg=-0.727) USER MOD Single : A 177 GLN : amide:sc= 0.482 K(o=0.48,f=-2.9!) USER MOD Single : A 178 TYR OH : rot 180:sc= 0 USER MOD Single : A 183 LYS NZ :NH3+ 159:sc= 2.12 (180deg=1.17) USER MOD Single : A 184 TYR OH : rot 180:sc= 0 USER MOD Single : A 186 SER OG : rot 79:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 30 N TYR A 3 23.257 -1.559 2.712 1.00 0.86 N ATOM 31 CA TYR A 3 22.300 -1.086 1.717 1.00 0.85 C ATOM 32 C TYR A 3 22.966 -0.067 0.796 1.00 0.84 C ATOM 33 O TYR A 3 23.263 1.059 1.205 1.00 0.97 O ATOM 34 CB TYR A 3 21.073 -0.473 2.400 1.00 0.91 C ATOM 35 CG TYR A 3 20.588 -1.290 3.578 1.00 0.93 C ATOM 36 CD1 TYR A 3 20.055 -2.560 3.395 1.00 1.08 C ATOM 37 CD2 TYR A 3 20.700 -0.808 4.877 1.00 0.96 C ATOM 38 CE1 TYR A 3 19.652 -3.326 4.471 1.00 1.18 C ATOM 39 CE2 TYR A 3 20.289 -1.565 5.956 1.00 1.07 C ATOM 40 CZ TYR A 3 19.770 -2.823 5.748 1.00 1.15 C ATOM 41 OH TYR A 3 19.392 -3.595 6.824 1.00 1.32 O ATOM 0 HA TYR A 3 21.968 -1.934 1.119 1.00 0.85 H new ATOM 0 HB2 TYR A 3 21.316 0.534 2.738 1.00 0.91 H new ATOM 0 HB3 TYR A 3 20.267 -0.379 1.672 1.00 0.91 H new ATOM 0 HD1 TYR A 3 19.954 -2.955 2.395 1.00 1.08 H new ATOM 0 HD2 TYR A 3 21.115 0.175 5.045 1.00 0.96 H new ATOM 0 HE1 TYR A 3 19.246 -4.314 4.312 1.00 1.18 H new ATOM 0 HE2 TYR A 3 20.374 -1.172 6.958 1.00 1.07 H new ATOM 0 HH TYR A 3 18.789 -3.081 7.400 1.00 1.32 H new ATOM 51 N GLU A 4 23.212 -0.477 -0.441 1.00 0.79 N ATOM 52 CA GLU A 4 23.859 0.382 -1.423 1.00 0.81 C ATOM 53 C GLU A 4 22.823 1.108 -2.276 1.00 0.74 C ATOM 54 O GLU A 4 21.747 0.570 -2.563 1.00 0.72 O ATOM 55 CB GLU A 4 24.768 -0.451 -2.334 1.00 0.88 C ATOM 56 CG GLU A 4 25.773 -1.317 -1.591 1.00 1.10 C ATOM 57 CD GLU A 4 26.302 -2.444 -2.453 1.00 1.60 C ATOM 58 OE1 GLU A 4 26.748 -2.173 -3.590 1.00 2.29 O ATOM 59 OE2 GLU A 4 26.285 -3.607 -1.999 1.00 2.08 O1- ATOM 0 H GLU A 4 22.971 -1.405 -0.790 1.00 0.79 H new ATOM 0 HA GLU A 4 24.454 1.120 -0.885 1.00 0.81 H new ATOM 0 HB2 GLU A 4 24.147 -1.091 -2.960 1.00 0.88 H new ATOM 0 HB3 GLU A 4 25.308 0.221 -3.001 1.00 0.88 H new ATOM 0 HG2 GLU A 4 26.605 -0.698 -1.254 1.00 1.10 H new ATOM 0 HG3 GLU A 4 25.303 -1.733 -0.700 1.00 1.10 H new ATOM 66 N ASP A 5 23.146 2.335 -2.667 1.00 0.74 N ATOM 67 CA ASP A 5 22.264 3.126 -3.518 1.00 0.71 C ATOM 68 C ASP A 5 22.285 2.548 -4.925 1.00 0.71 C ATOM 69 O ASP A 5 23.352 2.316 -5.494 1.00 0.77 O ATOM 70 CB ASP A 5 22.696 4.599 -3.540 1.00 0.74 C ATOM 71 CG ASP A 5 21.955 5.413 -4.588 1.00 1.14 C ATOM 72 OD1 ASP A 5 22.435 5.483 -5.741 1.00 1.76 O1- ATOM 73 OD2 ASP A 5 20.899 6.000 -4.266 1.00 1.83 O ATOM 0 H ASP A 5 24.014 2.805 -2.408 1.00 0.74 H new ATOM 0 HA ASP A 5 21.251 3.084 -3.117 1.00 0.71 H new ATOM 0 HB2 ASP A 5 22.525 5.038 -2.557 1.00 0.74 H new ATOM 0 HB3 ASP A 5 23.767 4.656 -3.732 1.00 0.74 H new ATOM 78 N GLY A 6 21.113 2.293 -5.478 1.00 0.68 N ATOM 79 CA GLY A 6 21.035 1.714 -6.801 1.00 0.70 C ATOM 80 C GLY A 6 20.994 0.201 -6.732 1.00 0.71 C ATOM 81 O GLY A 6 20.970 -0.483 -7.755 1.00 0.78 O ATOM 0 H GLY A 6 20.213 2.476 -5.035 1.00 0.68 H new ATOM 0 HA2 GLY A 6 20.145 2.082 -7.311 1.00 0.70 H new ATOM 0 HA3 GLY A 6 21.895 2.031 -7.392 1.00 0.70 H new ATOM 85 N LYS A 7 21.009 -0.313 -5.511 1.00 0.69 N ATOM 86 CA LYS A 7 20.961 -1.743 -5.272 1.00 0.71 C ATOM 87 C LYS A 7 19.702 -2.093 -4.486 1.00 0.64 C ATOM 88 O LYS A 7 18.754 -2.653 -5.034 1.00 0.62 O ATOM 89 CB LYS A 7 22.223 -2.190 -4.518 1.00 0.80 C ATOM 90 CG LYS A 7 22.226 -3.653 -4.096 1.00 0.86 C ATOM 91 CD LYS A 7 22.357 -4.594 -5.282 1.00 1.04 C ATOM 92 CE LYS A 7 22.451 -6.043 -4.831 1.00 1.23 C ATOM 93 NZ LYS A 7 22.523 -6.985 -5.981 1.00 1.87 N1+ ATOM 0 H LYS A 7 21.055 0.250 -4.662 1.00 0.69 H new ATOM 0 HA LYS A 7 20.928 -2.270 -6.225 1.00 0.71 H new ATOM 0 HB2 LYS A 7 23.092 -2.006 -5.150 1.00 0.80 H new ATOM 0 HB3 LYS A 7 22.338 -1.569 -3.629 1.00 0.80 H new ATOM 0 HG2 LYS A 7 23.050 -3.828 -3.404 1.00 0.86 H new ATOM 0 HG3 LYS A 7 21.305 -3.876 -3.558 1.00 0.86 H new ATOM 0 HD2 LYS A 7 21.499 -4.472 -5.942 1.00 1.04 H new ATOM 0 HD3 LYS A 7 23.243 -4.333 -5.860 1.00 1.04 H new ATOM 0 HE2 LYS A 7 23.333 -6.170 -4.203 1.00 1.23 H new ATOM 0 HE3 LYS A 7 21.585 -6.288 -4.217 1.00 1.23 H new ATOM 0 HZ1 LYS A 7 22.586 -7.961 -5.627 1.00 1.87 H new ATOM 0 HZ2 LYS A 7 21.670 -6.884 -6.567 1.00 1.87 H new ATOM 0 HZ3 LYS A 7 23.364 -6.770 -6.554 1.00 1.87 H new ATOM 107 N GLN A 8 19.685 -1.738 -3.208 1.00 0.66 N ATOM 108 CA GLN A 8 18.534 -2.016 -2.362 1.00 0.62 C ATOM 109 C GLN A 8 17.500 -0.908 -2.509 1.00 0.56 C ATOM 110 O GLN A 8 16.296 -1.163 -2.540 1.00 0.53 O ATOM 111 CB GLN A 8 18.949 -2.147 -0.896 1.00 0.68 C ATOM 112 CG GLN A 8 19.473 -3.524 -0.514 1.00 0.78 C ATOM 113 CD GLN A 8 20.937 -3.717 -0.858 1.00 1.02 C ATOM 114 OE1 GLN A 8 21.700 -2.753 -0.949 1.00 1.46 O ATOM 115 NE2 GLN A 8 21.342 -4.963 -1.043 1.00 1.15 N ATOM 0 H GLN A 8 20.452 -1.259 -2.737 1.00 0.66 H new ATOM 0 HA GLN A 8 18.098 -2.963 -2.681 1.00 0.62 H new ATOM 0 HB2 GLN A 8 19.719 -1.406 -0.681 1.00 0.68 H new ATOM 0 HB3 GLN A 8 18.092 -1.909 -0.265 1.00 0.68 H new ATOM 0 HG2 GLN A 8 19.334 -3.676 0.556 1.00 0.78 H new ATOM 0 HG3 GLN A 8 18.882 -4.286 -1.023 1.00 0.78 H new ATOM 0 HE21 GLN A 8 20.678 -5.733 -0.958 1.00 1.15 H new ATOM 0 HE22 GLN A 8 22.318 -5.154 -1.270 1.00 1.15 H new ATOM 124 N TYR A 9 17.980 0.326 -2.606 1.00 0.57 N ATOM 125 CA TYR A 9 17.106 1.476 -2.748 1.00 0.54 C ATOM 126 C TYR A 9 17.674 2.449 -3.772 1.00 0.55 C ATOM 127 O TYR A 9 18.886 2.505 -3.978 1.00 0.62 O ATOM 128 CB TYR A 9 16.914 2.178 -1.400 1.00 0.54 C ATOM 129 CG TYR A 9 18.171 2.814 -0.840 1.00 0.56 C ATOM 130 CD1 TYR A 9 19.112 2.055 -0.159 1.00 0.63 C ATOM 131 CD2 TYR A 9 18.403 4.176 -0.980 1.00 0.59 C ATOM 132 CE1 TYR A 9 20.251 2.637 0.365 1.00 0.70 C ATOM 133 CE2 TYR A 9 19.540 4.764 -0.461 1.00 0.65 C ATOM 134 CZ TYR A 9 20.459 3.991 0.211 1.00 0.69 C ATOM 135 OH TYR A 9 21.589 4.573 0.740 1.00 0.79 O ATOM 0 H TYR A 9 18.974 0.553 -2.588 1.00 0.57 H new ATOM 0 HA TYR A 9 16.134 1.127 -3.097 1.00 0.54 H new ATOM 0 HB2 TYR A 9 16.150 2.948 -1.511 1.00 0.54 H new ATOM 0 HB3 TYR A 9 16.535 1.455 -0.678 1.00 0.54 H new ATOM 0 HD1 TYR A 9 18.952 0.994 -0.037 1.00 0.63 H new ATOM 0 HD2 TYR A 9 17.682 4.786 -1.504 1.00 0.59 H new ATOM 0 HE1 TYR A 9 20.975 2.034 0.893 1.00 0.70 H new ATOM 0 HE2 TYR A 9 19.707 5.824 -0.582 1.00 0.65 H new ATOM 0 HH TYR A 9 21.585 5.533 0.543 1.00 0.79 H new ATOM 145 N THR A 10 16.796 3.203 -4.402 1.00 0.53 N ATOM 146 CA THR A 10 17.187 4.176 -5.402 1.00 0.56 C ATOM 147 C THR A 10 16.706 5.567 -5.005 1.00 0.55 C ATOM 148 O THR A 10 15.553 5.740 -4.601 1.00 0.56 O ATOM 149 CB THR A 10 16.598 3.807 -6.777 1.00 0.59 C ATOM 150 OG1 THR A 10 15.633 2.753 -6.624 1.00 0.83 O ATOM 151 CG2 THR A 10 17.698 3.368 -7.731 1.00 0.90 C ATOM 0 H THR A 10 15.791 3.158 -4.235 1.00 0.53 H new ATOM 0 HA THR A 10 18.275 4.174 -5.467 1.00 0.56 H new ATOM 0 HB THR A 10 16.110 4.687 -7.195 1.00 0.59 H new ATOM 0 HG1 THR A 10 14.754 3.068 -6.923 1.00 0.83 H new ATOM 0 HG21 THR A 10 17.262 3.112 -8.696 1.00 0.90 H new ATOM 0 HG22 THR A 10 18.413 4.180 -7.860 1.00 0.90 H new ATOM 0 HG23 THR A 10 18.209 2.497 -7.321 1.00 0.90 H new ATOM 159 N THR A 11 17.589 6.546 -5.099 1.00 0.63 N ATOM 160 CA THR A 11 17.233 7.912 -4.760 1.00 0.65 C ATOM 161 C THR A 11 16.596 8.592 -5.964 1.00 0.65 C ATOM 162 O THR A 11 17.209 8.688 -7.028 1.00 0.73 O ATOM 163 CB THR A 11 18.462 8.713 -4.295 1.00 0.71 C ATOM 164 OG1 THR A 11 19.244 7.917 -3.394 1.00 1.11 O ATOM 165 CG2 THR A 11 18.039 10.005 -3.604 1.00 0.97 C ATOM 0 H THR A 11 18.554 6.421 -5.406 1.00 0.63 H new ATOM 0 HA THR A 11 16.520 7.882 -3.936 1.00 0.65 H new ATOM 0 HB THR A 11 19.058 8.970 -5.171 1.00 0.71 H new ATOM 0 HG1 THR A 11 19.935 7.438 -3.897 1.00 1.11 H new ATOM 0 HG21 THR A 11 18.925 10.554 -3.284 1.00 0.97 H new ATOM 0 HG22 THR A 11 17.464 10.617 -4.298 1.00 0.97 H new ATOM 0 HG23 THR A 11 17.425 9.769 -2.735 1.00 0.97 H new ATOM 173 N LEU A 12 15.359 9.036 -5.797 1.00 0.63 N ATOM 174 CA LEU A 12 14.632 9.693 -6.875 1.00 0.65 C ATOM 175 C LEU A 12 15.156 11.106 -7.104 1.00 0.69 C ATOM 176 O LEU A 12 15.576 11.787 -6.164 1.00 0.71 O ATOM 177 CB LEU A 12 13.133 9.740 -6.562 1.00 0.66 C ATOM 178 CG LEU A 12 12.471 8.379 -6.332 1.00 0.67 C ATOM 179 CD1 LEU A 12 11.051 8.555 -5.836 1.00 0.74 C ATOM 180 CD2 LEU A 12 12.480 7.553 -7.608 1.00 0.72 C ATOM 0 H LEU A 12 14.837 8.954 -4.925 1.00 0.63 H new ATOM 0 HA LEU A 12 14.787 9.113 -7.785 1.00 0.65 H new ATOM 0 HB2 LEU A 12 12.983 10.354 -5.674 1.00 0.66 H new ATOM 0 HB3 LEU A 12 12.622 10.240 -7.385 1.00 0.66 H new ATOM 0 HG LEU A 12 13.044 7.849 -5.572 1.00 0.67 H new ATOM 0 HD11 LEU A 12 10.597 7.577 -5.678 1.00 0.74 H new ATOM 0 HD12 LEU A 12 11.060 9.107 -4.896 1.00 0.74 H new ATOM 0 HD13 LEU A 12 10.473 9.108 -6.576 1.00 0.74 H new ATOM 0 HD21 LEU A 12 12.005 6.590 -7.421 1.00 0.72 H new ATOM 0 HD22 LEU A 12 11.933 8.083 -8.388 1.00 0.72 H new ATOM 0 HD23 LEU A 12 13.509 7.393 -7.931 1.00 0.72 H new ATOM 192 N GLU A 13 15.126 11.543 -8.358 1.00 0.75 N ATOM 193 CA GLU A 13 15.587 12.877 -8.716 1.00 0.81 C ATOM 194 C GLU A 13 14.429 13.857 -8.600 1.00 0.80 C ATOM 195 O GLU A 13 14.607 15.076 -8.673 1.00 0.89 O ATOM 196 CB GLU A 13 16.177 12.905 -10.138 1.00 0.92 C ATOM 197 CG GLU A 13 15.976 11.613 -10.922 1.00 1.05 C ATOM 198 CD GLU A 13 14.557 11.438 -11.416 1.00 1.67 C ATOM 199 OE1 GLU A 13 13.717 10.934 -10.643 1.00 2.28 O1- ATOM 200 OE2 GLU A 13 14.281 11.790 -12.585 1.00 2.33 O ATOM 0 H GLU A 13 14.786 10.990 -9.145 1.00 0.75 H new ATOM 0 HA GLU A 13 16.381 13.167 -8.028 1.00 0.81 H new ATOM 0 HB2 GLU A 13 15.724 13.727 -10.692 1.00 0.92 H new ATOM 0 HB3 GLU A 13 17.245 13.115 -10.073 1.00 0.92 H new ATOM 0 HG2 GLU A 13 16.656 11.602 -11.774 1.00 1.05 H new ATOM 0 HG3 GLU A 13 16.242 10.766 -10.290 1.00 1.05 H new ATOM 207 N LYS A 14 13.235 13.306 -8.424 1.00 0.75 N ATOM 208 CA LYS A 14 12.027 14.103 -8.275 1.00 0.76 C ATOM 209 C LYS A 14 11.402 13.832 -6.906 1.00 0.70 C ATOM 210 O LYS A 14 10.512 12.993 -6.780 1.00 0.71 O ATOM 211 CB LYS A 14 11.012 13.783 -9.386 1.00 0.84 C ATOM 212 CG LYS A 14 11.603 13.754 -10.788 1.00 1.51 C ATOM 213 CD LYS A 14 11.885 15.151 -11.309 1.00 2.21 C ATOM 214 CE LYS A 14 12.455 15.108 -12.719 1.00 3.19 C ATOM 215 NZ LYS A 14 12.807 16.464 -13.222 1.00 3.64 N1+ ATOM 0 H LYS A 14 13.078 12.299 -8.381 1.00 0.75 H new ATOM 0 HA LYS A 14 12.296 15.156 -8.355 1.00 0.76 H new ATOM 0 HB2 LYS A 14 10.556 12.815 -9.177 1.00 0.84 H new ATOM 0 HB3 LYS A 14 10.214 14.525 -9.357 1.00 0.84 H new ATOM 0 HG2 LYS A 14 12.527 13.175 -10.781 1.00 1.51 H new ATOM 0 HG3 LYS A 14 10.914 13.247 -11.463 1.00 1.51 H new ATOM 0 HD2 LYS A 14 10.966 15.736 -11.303 1.00 2.21 H new ATOM 0 HD3 LYS A 14 12.588 15.655 -10.645 1.00 2.21 H new ATOM 0 HE2 LYS A 14 13.343 14.475 -12.732 1.00 3.19 H new ATOM 0 HE3 LYS A 14 11.728 14.650 -13.390 1.00 3.19 H new ATOM 0 HZ1 LYS A 14 13.191 16.388 -14.185 1.00 3.64 H new ATOM 0 HZ2 LYS A 14 11.956 17.061 -13.235 1.00 3.64 H new ATOM 0 HZ3 LYS A 14 13.520 16.892 -12.597 1.00 3.64 H new ATOM 229 N PRO A 15 11.883 14.515 -5.854 1.00 0.70 N ATOM 230 CA PRO A 15 11.362 14.327 -4.501 1.00 0.68 C ATOM 231 C PRO A 15 9.947 14.875 -4.359 1.00 0.67 C ATOM 232 O PRO A 15 9.698 16.062 -4.602 1.00 0.76 O ATOM 233 CB PRO A 15 12.346 15.104 -3.623 1.00 0.72 C ATOM 234 CG PRO A 15 12.963 16.118 -4.523 1.00 0.85 C ATOM 235 CD PRO A 15 12.953 15.523 -5.906 1.00 0.79 C ATOM 0 HA PRO A 15 11.287 13.274 -4.228 1.00 0.68 H new ATOM 0 HB2 PRO A 15 11.835 15.580 -2.786 1.00 0.72 H new ATOM 0 HB3 PRO A 15 13.102 14.443 -3.200 1.00 0.72 H new ATOM 0 HG2 PRO A 15 12.401 17.052 -4.498 1.00 0.85 H new ATOM 0 HG3 PRO A 15 13.980 16.349 -4.207 1.00 0.85 H new ATOM 0 HD2 PRO A 15 12.752 16.280 -6.664 1.00 0.79 H new ATOM 0 HD3 PRO A 15 13.914 15.072 -6.153 1.00 0.79 H new ATOM 243 N VAL A 16 9.025 14.005 -3.975 1.00 0.62 N ATOM 244 CA VAL A 16 7.633 14.391 -3.811 1.00 0.64 C ATOM 245 C VAL A 16 7.434 15.126 -2.493 1.00 0.64 C ATOM 246 O VAL A 16 7.528 14.537 -1.415 1.00 0.66 O ATOM 247 CB VAL A 16 6.693 13.171 -3.886 1.00 0.65 C ATOM 248 CG1 VAL A 16 5.235 13.599 -3.741 1.00 0.70 C ATOM 249 CG2 VAL A 16 6.916 12.426 -5.194 1.00 0.72 C ATOM 0 H VAL A 16 9.217 13.024 -3.771 1.00 0.62 H new ATOM 0 HA VAL A 16 7.380 15.061 -4.633 1.00 0.64 H new ATOM 0 HB VAL A 16 6.923 12.499 -3.059 1.00 0.65 H new ATOM 0 HG11 VAL A 16 4.591 12.721 -3.797 1.00 0.70 H new ATOM 0 HG12 VAL A 16 5.094 14.091 -2.779 1.00 0.70 H new ATOM 0 HG13 VAL A 16 4.977 14.290 -4.543 1.00 0.70 H new ATOM 0 HG21 VAL A 16 6.249 11.565 -5.241 1.00 0.72 H new ATOM 0 HG22 VAL A 16 6.709 13.092 -6.032 1.00 0.72 H new ATOM 0 HG23 VAL A 16 7.950 12.087 -5.248 1.00 0.72 H new ATOM 259 N ALA A 17 7.180 16.423 -2.596 1.00 0.71 N ATOM 260 CA ALA A 17 6.974 17.271 -1.432 1.00 0.75 C ATOM 261 C ALA A 17 5.623 16.997 -0.791 1.00 0.72 C ATOM 262 O ALA A 17 4.618 16.833 -1.483 1.00 0.80 O ATOM 263 CB ALA A 17 7.080 18.737 -1.834 1.00 0.89 C ATOM 0 H ALA A 17 7.111 16.915 -3.487 1.00 0.71 H new ATOM 0 HA ALA A 17 7.748 17.044 -0.699 1.00 0.75 H new ATOM 0 HB1 ALA A 17 6.925 19.367 -0.958 1.00 0.89 H new ATOM 0 HB2 ALA A 17 8.069 18.930 -2.249 1.00 0.89 H new ATOM 0 HB3 ALA A 17 6.322 18.965 -2.583 1.00 0.89 H new ATOM 269 N GLY A 18 5.612 16.924 0.530 1.00 0.71 N ATOM 270 CA GLY A 18 4.376 16.676 1.250 1.00 0.73 C ATOM 271 C GLY A 18 4.033 15.201 1.323 1.00 0.68 C ATOM 272 O GLY A 18 2.901 14.833 1.647 1.00 0.73 O ATOM 0 H GLY A 18 6.437 17.032 1.120 1.00 0.71 H new ATOM 0 HA2 GLY A 18 4.461 17.076 2.260 1.00 0.73 H new ATOM 0 HA3 GLY A 18 3.561 17.212 0.762 1.00 0.73 H new ATOM 276 N ALA A 19 5.009 14.360 1.020 1.00 0.64 N ATOM 277 CA ALA A 19 4.815 12.920 1.055 1.00 0.60 C ATOM 278 C ALA A 19 5.114 12.384 2.449 1.00 0.57 C ATOM 279 O ALA A 19 6.002 12.897 3.135 1.00 0.61 O ATOM 280 CB ALA A 19 5.698 12.244 0.021 1.00 0.61 C ATOM 0 H ALA A 19 5.947 14.652 0.746 1.00 0.64 H new ATOM 0 HA ALA A 19 3.775 12.699 0.815 1.00 0.60 H new ATOM 0 HB1 ALA A 19 5.542 11.166 0.059 1.00 0.61 H new ATOM 0 HB2 ALA A 19 5.443 12.613 -0.972 1.00 0.61 H new ATOM 0 HB3 ALA A 19 6.744 12.467 0.234 1.00 0.61 H new ATOM 286 N PRO A 20 4.366 11.365 2.897 1.00 0.54 N ATOM 287 CA PRO A 20 4.563 10.761 4.218 1.00 0.54 C ATOM 288 C PRO A 20 5.894 10.021 4.316 1.00 0.51 C ATOM 289 O PRO A 20 6.573 9.803 3.307 1.00 0.52 O ATOM 290 CB PRO A 20 3.393 9.779 4.344 1.00 0.55 C ATOM 291 CG PRO A 20 2.976 9.486 2.947 1.00 0.56 C ATOM 292 CD PRO A 20 3.267 10.725 2.151 1.00 0.55 C ATOM 0 HA PRO A 20 4.590 11.510 5.010 1.00 0.54 H new ATOM 0 HB2 PRO A 20 3.696 8.870 4.863 1.00 0.55 H new ATOM 0 HB3 PRO A 20 2.574 10.214 4.916 1.00 0.55 H new ATOM 0 HG2 PRO A 20 3.523 8.631 2.549 1.00 0.56 H new ATOM 0 HG3 PRO A 20 1.916 9.235 2.902 1.00 0.56 H new ATOM 0 HD2 PRO A 20 3.562 10.485 1.129 1.00 0.55 H new ATOM 0 HD3 PRO A 20 2.394 11.375 2.087 1.00 0.55 H new ATOM 300 N GLN A 21 6.260 9.639 5.533 1.00 0.52 N ATOM 301 CA GLN A 21 7.512 8.935 5.772 1.00 0.51 C ATOM 302 C GLN A 21 7.519 7.582 5.075 1.00 0.46 C ATOM 303 O GLN A 21 8.432 7.267 4.318 1.00 0.47 O ATOM 304 CB GLN A 21 7.745 8.744 7.272 1.00 0.56 C ATOM 305 CG GLN A 21 7.801 10.042 8.058 1.00 0.66 C ATOM 306 CD GLN A 21 6.473 10.408 8.694 1.00 0.93 C ATOM 307 OE1 GLN A 21 5.406 10.052 8.193 1.00 1.79 O ATOM 308 NE2 GLN A 21 6.530 11.121 9.807 1.00 0.95 N ATOM 0 H GLN A 21 5.705 9.806 6.372 1.00 0.52 H new ATOM 0 HA GLN A 21 8.318 9.543 5.361 1.00 0.51 H new ATOM 0 HB2 GLN A 21 6.948 8.120 7.677 1.00 0.56 H new ATOM 0 HB3 GLN A 21 8.679 8.202 7.418 1.00 0.56 H new ATOM 0 HG2 GLN A 21 8.559 9.956 8.837 1.00 0.66 H new ATOM 0 HG3 GLN A 21 8.115 10.848 7.395 1.00 0.66 H new ATOM 0 HE21 GLN A 21 7.434 11.396 10.190 1.00 0.95 H new ATOM 0 HE22 GLN A 21 5.670 11.395 10.282 1.00 0.95 H new ATOM 317 N VAL A 22 6.492 6.782 5.327 1.00 0.43 N ATOM 318 CA VAL A 22 6.397 5.463 4.721 1.00 0.40 C ATOM 319 C VAL A 22 5.152 5.361 3.852 1.00 0.38 C ATOM 320 O VAL A 22 4.036 5.225 4.359 1.00 0.42 O ATOM 321 CB VAL A 22 6.379 4.345 5.785 1.00 0.42 C ATOM 322 CG1 VAL A 22 6.469 2.975 5.132 1.00 0.45 C ATOM 323 CG2 VAL A 22 7.514 4.541 6.777 1.00 0.45 C ATOM 0 H VAL A 22 5.716 7.023 5.944 1.00 0.43 H new ATOM 0 HA VAL A 22 7.283 5.329 4.101 1.00 0.40 H new ATOM 0 HB VAL A 22 5.433 4.400 6.324 1.00 0.42 H new ATOM 0 HG11 VAL A 22 6.455 2.203 5.902 1.00 0.45 H new ATOM 0 HG12 VAL A 22 5.621 2.835 4.462 1.00 0.45 H new ATOM 0 HG13 VAL A 22 7.396 2.903 4.564 1.00 0.45 H new ATOM 0 HG21 VAL A 22 7.488 3.745 7.521 1.00 0.45 H new ATOM 0 HG22 VAL A 22 8.467 4.514 6.249 1.00 0.45 H new ATOM 0 HG23 VAL A 22 7.401 5.505 7.273 1.00 0.45 H new ATOM 333 N LEU A 23 5.347 5.439 2.548 1.00 0.36 N ATOM 334 CA LEU A 23 4.243 5.366 1.606 1.00 0.36 C ATOM 335 C LEU A 23 4.265 4.040 0.858 1.00 0.32 C ATOM 336 O LEU A 23 5.292 3.651 0.301 1.00 0.35 O ATOM 337 CB LEU A 23 4.318 6.531 0.613 1.00 0.41 C ATOM 338 CG LEU A 23 3.088 6.715 -0.282 1.00 0.46 C ATOM 339 CD1 LEU A 23 1.809 6.745 0.544 1.00 0.51 C ATOM 340 CD2 LEU A 23 3.221 7.990 -1.102 1.00 0.53 C ATOM 0 H LEU A 23 6.263 5.553 2.115 1.00 0.36 H new ATOM 0 HA LEU A 23 3.309 5.435 2.163 1.00 0.36 H new ATOM 0 HB2 LEU A 23 4.480 7.452 1.172 1.00 0.41 H new ATOM 0 HB3 LEU A 23 5.191 6.387 -0.024 1.00 0.41 H new ATOM 0 HG LEU A 23 3.030 5.864 -0.960 1.00 0.46 H new ATOM 0 HD11 LEU A 23 0.952 6.877 -0.117 1.00 0.51 H new ATOM 0 HD12 LEU A 23 1.706 5.807 1.089 1.00 0.51 H new ATOM 0 HD13 LEU A 23 1.852 7.573 1.252 1.00 0.51 H new ATOM 0 HD21 LEU A 23 2.341 8.110 -1.734 1.00 0.53 H new ATOM 0 HD22 LEU A 23 3.306 8.846 -0.433 1.00 0.53 H new ATOM 0 HD23 LEU A 23 4.111 7.929 -1.728 1.00 0.53 H new ATOM 352 N GLU A 24 3.135 3.353 0.865 1.00 0.32 N ATOM 353 CA GLU A 24 3.008 2.074 0.190 1.00 0.30 C ATOM 354 C GLU A 24 1.782 2.080 -0.722 1.00 0.29 C ATOM 355 O GLU A 24 0.752 2.667 -0.386 1.00 0.35 O ATOM 356 CB GLU A 24 2.880 0.945 1.216 1.00 0.36 C ATOM 357 CG GLU A 24 3.091 -0.445 0.636 1.00 0.39 C ATOM 358 CD GLU A 24 2.312 -1.509 1.383 1.00 0.90 C ATOM 359 OE1 GLU A 24 1.145 -1.766 1.018 1.00 1.54 O1- ATOM 360 OE2 GLU A 24 2.861 -2.092 2.342 1.00 1.61 O ATOM 0 H GLU A 24 2.285 3.664 1.336 1.00 0.32 H new ATOM 0 HA GLU A 24 3.901 1.909 -0.412 1.00 0.30 H new ATOM 0 HB2 GLU A 24 3.605 1.109 2.013 1.00 0.36 H new ATOM 0 HB3 GLU A 24 1.890 0.991 1.671 1.00 0.36 H new ATOM 0 HG2 GLU A 24 2.791 -0.448 -0.412 1.00 0.39 H new ATOM 0 HG3 GLU A 24 4.153 -0.690 0.664 1.00 0.39 H new ATOM 367 N PHE A 25 1.902 1.438 -1.871 1.00 0.27 N ATOM 368 CA PHE A 25 0.804 1.359 -2.828 1.00 0.29 C ATOM 369 C PHE A 25 0.421 -0.092 -3.063 1.00 0.29 C ATOM 370 O PHE A 25 1.258 -0.988 -2.930 1.00 0.34 O ATOM 371 CB PHE A 25 1.191 2.013 -4.157 1.00 0.35 C ATOM 372 CG PHE A 25 1.423 3.494 -4.064 1.00 0.37 C ATOM 373 CD1 PHE A 25 0.360 4.381 -4.131 1.00 0.45 C ATOM 374 CD2 PHE A 25 2.705 3.999 -3.921 1.00 0.42 C ATOM 375 CE1 PHE A 25 0.573 5.744 -4.053 1.00 0.52 C ATOM 376 CE2 PHE A 25 2.924 5.359 -3.842 1.00 0.50 C ATOM 377 CZ PHE A 25 1.856 6.232 -3.909 1.00 0.53 C ATOM 0 H PHE A 25 2.753 0.960 -2.168 1.00 0.27 H new ATOM 0 HA PHE A 25 -0.049 1.896 -2.413 1.00 0.29 H new ATOM 0 HB2 PHE A 25 2.096 1.537 -4.535 1.00 0.35 H new ATOM 0 HB3 PHE A 25 0.403 1.824 -4.886 1.00 0.35 H new ATOM 0 HD1 PHE A 25 -0.645 4.003 -4.245 1.00 0.45 H new ATOM 0 HD2 PHE A 25 3.543 3.320 -3.871 1.00 0.42 H new ATOM 0 HE1 PHE A 25 -0.263 6.426 -4.105 1.00 0.52 H new ATOM 0 HE2 PHE A 25 3.928 5.740 -3.728 1.00 0.50 H new ATOM 0 HZ PHE A 25 2.025 7.297 -3.849 1.00 0.53 H new ATOM 387 N PHE A 26 -0.839 -0.330 -3.414 1.00 0.31 N ATOM 388 CA PHE A 26 -1.308 -1.687 -3.663 1.00 0.32 C ATOM 389 C PHE A 26 -2.661 -1.691 -4.374 1.00 0.34 C ATOM 390 O PHE A 26 -3.275 -0.643 -4.589 1.00 0.38 O ATOM 391 CB PHE A 26 -1.408 -2.467 -2.339 1.00 0.34 C ATOM 392 CG PHE A 26 -2.651 -2.183 -1.533 1.00 0.36 C ATOM 393 CD1 PHE A 26 -3.128 -0.889 -1.384 1.00 0.47 C ATOM 394 CD2 PHE A 26 -3.342 -3.222 -0.931 1.00 0.38 C ATOM 395 CE1 PHE A 26 -4.269 -0.637 -0.653 1.00 0.55 C ATOM 396 CE2 PHE A 26 -4.484 -2.975 -0.194 1.00 0.44 C ATOM 397 CZ PHE A 26 -4.949 -1.681 -0.056 1.00 0.51 C ATOM 0 H PHE A 26 -1.548 0.394 -3.532 1.00 0.31 H new ATOM 0 HA PHE A 26 -0.583 -2.174 -4.315 1.00 0.32 H new ATOM 0 HB2 PHE A 26 -1.369 -3.534 -2.558 1.00 0.34 H new ATOM 0 HB3 PHE A 26 -0.535 -2.235 -1.729 1.00 0.34 H new ATOM 0 HD1 PHE A 26 -2.599 -0.069 -1.846 1.00 0.47 H new ATOM 0 HD2 PHE A 26 -2.984 -4.235 -1.039 1.00 0.38 H new ATOM 0 HE1 PHE A 26 -4.631 0.375 -0.547 1.00 0.55 H new ATOM 0 HE2 PHE A 26 -5.013 -3.792 0.274 1.00 0.44 H new ATOM 0 HZ PHE A 26 -5.843 -1.486 0.518 1.00 0.51 H new ATOM 407 N SER A 27 -3.108 -2.881 -4.749 1.00 0.35 N ATOM 408 CA SER A 27 -4.391 -3.060 -5.405 1.00 0.39 C ATOM 409 C SER A 27 -4.889 -4.478 -5.168 1.00 0.40 C ATOM 410 O SER A 27 -4.152 -5.444 -5.356 1.00 0.40 O ATOM 411 CB SER A 27 -4.307 -2.768 -6.908 1.00 0.42 C ATOM 412 OG SER A 27 -5.607 -2.596 -7.459 1.00 0.96 O ATOM 0 H SER A 27 -2.590 -3.748 -4.606 1.00 0.35 H new ATOM 0 HA SER A 27 -5.095 -2.347 -4.976 1.00 0.39 H new ATOM 0 HB2 SER A 27 -3.713 -1.870 -7.077 1.00 0.42 H new ATOM 0 HB3 SER A 27 -3.797 -3.587 -7.415 1.00 0.42 H new ATOM 0 HG SER A 27 -6.133 -2.006 -6.879 1.00 0.96 H new ATOM 418 N PHE A 28 -6.147 -4.597 -4.771 1.00 0.45 N ATOM 419 CA PHE A 28 -6.754 -5.895 -4.490 1.00 0.48 C ATOM 420 C PHE A 28 -6.900 -6.727 -5.762 1.00 0.50 C ATOM 421 O PHE A 28 -7.118 -7.934 -5.702 1.00 0.54 O ATOM 422 CB PHE A 28 -8.119 -5.694 -3.827 1.00 0.53 C ATOM 423 CG PHE A 28 -8.042 -4.943 -2.528 1.00 0.51 C ATOM 424 CD1 PHE A 28 -7.644 -5.584 -1.369 1.00 0.50 C ATOM 425 CD2 PHE A 28 -8.368 -3.597 -2.467 1.00 0.58 C ATOM 426 CE1 PHE A 28 -7.567 -4.901 -0.173 1.00 0.54 C ATOM 427 CE2 PHE A 28 -8.294 -2.909 -1.274 1.00 0.62 C ATOM 428 CZ PHE A 28 -7.894 -3.562 -0.123 1.00 0.60 C ATOM 0 H PHE A 28 -6.774 -3.804 -4.634 1.00 0.45 H new ATOM 0 HA PHE A 28 -6.099 -6.440 -3.811 1.00 0.48 H new ATOM 0 HB2 PHE A 28 -8.773 -5.155 -4.513 1.00 0.53 H new ATOM 0 HB3 PHE A 28 -8.576 -6.667 -3.650 1.00 0.53 H new ATOM 0 HD1 PHE A 28 -7.390 -6.633 -1.401 1.00 0.50 H new ATOM 0 HD2 PHE A 28 -8.683 -3.082 -3.363 1.00 0.58 H new ATOM 0 HE1 PHE A 28 -7.251 -5.414 0.723 1.00 0.54 H new ATOM 0 HE2 PHE A 28 -8.549 -1.860 -1.239 1.00 0.62 H new ATOM 0 HZ PHE A 28 -7.838 -3.025 0.813 1.00 0.60 H new ATOM 438 N PHE A 29 -6.771 -6.076 -6.914 1.00 0.51 N ATOM 439 CA PHE A 29 -6.894 -6.758 -8.201 1.00 0.55 C ATOM 440 C PHE A 29 -5.569 -7.361 -8.644 1.00 0.50 C ATOM 441 O PHE A 29 -5.503 -8.077 -9.644 1.00 0.58 O ATOM 442 CB PHE A 29 -7.379 -5.784 -9.270 1.00 0.59 C ATOM 443 CG PHE A 29 -8.676 -5.098 -8.935 1.00 0.89 C ATOM 444 CD1 PHE A 29 -8.682 -3.895 -8.245 1.00 1.17 C ATOM 445 CD2 PHE A 29 -9.888 -5.651 -9.321 1.00 1.21 C ATOM 446 CE1 PHE A 29 -9.870 -3.258 -7.945 1.00 1.60 C ATOM 447 CE2 PHE A 29 -11.080 -5.017 -9.025 1.00 1.63 C ATOM 448 CZ PHE A 29 -11.071 -3.818 -8.337 1.00 1.78 C ATOM 0 H PHE A 29 -6.581 -5.076 -6.984 1.00 0.51 H new ATOM 0 HA PHE A 29 -7.618 -7.563 -8.074 1.00 0.55 H new ATOM 0 HB2 PHE A 29 -6.611 -5.027 -9.431 1.00 0.59 H new ATOM 0 HB3 PHE A 29 -7.498 -6.323 -10.210 1.00 0.59 H new ATOM 0 HD1 PHE A 29 -7.746 -3.451 -7.939 1.00 1.17 H new ATOM 0 HD2 PHE A 29 -9.900 -6.587 -9.859 1.00 1.21 H new ATOM 0 HE1 PHE A 29 -9.860 -2.323 -7.405 1.00 1.60 H new ATOM 0 HE2 PHE A 29 -12.017 -5.458 -9.331 1.00 1.63 H new ATOM 0 HZ PHE A 29 -12.001 -3.320 -8.106 1.00 1.78 H new ATOM 458 N CYS A 30 -4.515 -7.081 -7.896 1.00 0.46 N ATOM 459 CA CYS A 30 -3.196 -7.573 -8.247 1.00 0.44 C ATOM 460 C CYS A 30 -2.722 -8.651 -7.278 1.00 0.45 C ATOM 461 O CYS A 30 -2.570 -8.399 -6.078 1.00 0.44 O ATOM 462 CB CYS A 30 -2.198 -6.414 -8.275 1.00 0.41 C ATOM 463 SG CYS A 30 -0.575 -6.851 -8.938 1.00 0.48 S ATOM 0 H CYS A 30 -4.548 -6.518 -7.046 1.00 0.46 H new ATOM 0 HA CYS A 30 -3.258 -8.023 -9.238 1.00 0.44 H new ATOM 0 HB2 CYS A 30 -2.616 -5.604 -8.872 1.00 0.41 H new ATOM 0 HB3 CYS A 30 -2.073 -6.032 -7.262 1.00 0.41 H new ATOM 0 HG CYS A 30 -0.412 -6.283 -10.096 1.00 0.48 H new ATOM 469 N PRO A 31 -2.480 -9.873 -7.782 1.00 0.51 N ATOM 470 CA PRO A 31 -2.000 -10.982 -6.955 1.00 0.56 C ATOM 471 C PRO A 31 -0.631 -10.673 -6.357 1.00 0.50 C ATOM 472 O PRO A 31 -0.267 -11.191 -5.299 1.00 0.50 O ATOM 473 CB PRO A 31 -1.906 -12.163 -7.926 1.00 0.67 C ATOM 474 CG PRO A 31 -1.933 -11.573 -9.294 1.00 0.70 C ATOM 475 CD PRO A 31 -2.676 -10.271 -9.186 1.00 0.58 C ATOM 0 HA PRO A 31 -2.660 -11.180 -6.111 1.00 0.56 H new ATOM 0 HB2 PRO A 31 -0.989 -12.730 -7.764 1.00 0.67 H new ATOM 0 HB3 PRO A 31 -2.737 -12.853 -7.782 1.00 0.67 H new ATOM 0 HG2 PRO A 31 -0.921 -11.412 -9.666 1.00 0.70 H new ATOM 0 HG3 PRO A 31 -2.428 -12.244 -9.996 1.00 0.70 H new ATOM 0 HD2 PRO A 31 -2.278 -9.524 -9.873 1.00 0.58 H new ATOM 0 HD3 PRO A 31 -3.733 -10.392 -9.424 1.00 0.58 H new ATOM 483 N HIS A 32 0.111 -9.802 -7.039 1.00 0.49 N ATOM 484 CA HIS A 32 1.432 -9.385 -6.594 1.00 0.48 C ATOM 485 C HIS A 32 1.337 -8.684 -5.242 1.00 0.39 C ATOM 486 O HIS A 32 2.274 -8.712 -4.446 1.00 0.42 O ATOM 487 CB HIS A 32 2.053 -8.436 -7.619 1.00 0.57 C ATOM 488 CG HIS A 32 3.544 -8.393 -7.586 1.00 0.72 C ATOM 489 ND1 HIS A 32 4.268 -8.216 -6.431 1.00 1.63 N ATOM 490 CD2 HIS A 32 4.446 -8.489 -8.585 1.00 1.25 C ATOM 491 CE1 HIS A 32 5.554 -8.200 -6.725 1.00 1.74 C ATOM 492 NE2 HIS A 32 5.687 -8.363 -8.027 1.00 1.42 N ATOM 0 H HIS A 32 -0.189 -9.369 -7.912 1.00 0.49 H new ATOM 0 HA HIS A 32 2.061 -10.270 -6.493 1.00 0.48 H new ATOM 0 HB2 HIS A 32 1.731 -8.735 -8.617 1.00 0.57 H new ATOM 0 HB3 HIS A 32 1.668 -7.431 -7.448 1.00 0.57 H new ATOM 0 HD1 HIS A 32 3.874 -8.113 -5.496 1.00 1.63 H new ATOM 0 HD2 HIS A 32 4.227 -8.638 -9.632 1.00 1.25 H new ATOM 0 HE1 HIS A 32 6.361 -8.075 -6.019 1.00 1.74 H new ATOM 501 N CYS A 33 0.206 -8.031 -5.002 1.00 0.37 N ATOM 502 CA CYS A 33 -0.013 -7.331 -3.747 1.00 0.32 C ATOM 503 C CYS A 33 -0.407 -8.316 -2.653 1.00 0.32 C ATOM 504 O CYS A 33 0.069 -8.221 -1.529 1.00 0.29 O ATOM 505 CB CYS A 33 -1.090 -6.261 -3.916 1.00 0.34 C ATOM 506 SG CYS A 33 -0.636 -4.944 -5.074 1.00 0.36 S ATOM 0 H CYS A 33 -0.571 -7.973 -5.660 1.00 0.37 H new ATOM 0 HA CYS A 33 0.916 -6.842 -3.454 1.00 0.32 H new ATOM 0 HB2 CYS A 33 -2.009 -6.735 -4.261 1.00 0.34 H new ATOM 0 HB3 CYS A 33 -1.305 -5.819 -2.943 1.00 0.34 H new ATOM 0 HG CYS A 33 0.303 -4.212 -4.552 1.00 0.36 H new ATOM 512 N TYR A 34 -1.255 -9.278 -3.001 1.00 0.40 N ATOM 513 CA TYR A 34 -1.710 -10.289 -2.051 1.00 0.44 C ATOM 514 C TYR A 34 -0.523 -11.100 -1.544 1.00 0.41 C ATOM 515 O TYR A 34 -0.473 -11.496 -0.377 1.00 0.41 O ATOM 516 CB TYR A 34 -2.744 -11.205 -2.713 1.00 0.55 C ATOM 517 CG TYR A 34 -3.363 -12.210 -1.771 1.00 0.57 C ATOM 518 CD1 TYR A 34 -4.244 -11.803 -0.778 1.00 1.42 C ATOM 519 CD2 TYR A 34 -3.064 -13.559 -1.871 1.00 0.94 C ATOM 520 CE1 TYR A 34 -4.817 -12.718 0.088 1.00 1.44 C ATOM 521 CE2 TYR A 34 -3.628 -14.480 -1.009 1.00 1.02 C ATOM 522 CZ TYR A 34 -4.505 -14.059 -0.030 1.00 0.73 C ATOM 523 OH TYR A 34 -5.076 -14.981 0.824 1.00 0.85 O ATOM 0 H TYR A 34 -1.643 -9.380 -3.939 1.00 0.40 H new ATOM 0 HA TYR A 34 -2.180 -9.794 -1.202 1.00 0.44 H new ATOM 0 HB2 TYR A 34 -3.535 -10.592 -3.145 1.00 0.55 H new ATOM 0 HB3 TYR A 34 -2.268 -11.738 -3.536 1.00 0.55 H new ATOM 0 HD1 TYR A 34 -4.486 -10.755 -0.680 1.00 1.42 H new ATOM 0 HD2 TYR A 34 -2.379 -13.896 -2.635 1.00 0.94 H new ATOM 0 HE1 TYR A 34 -5.504 -12.386 0.852 1.00 1.44 H new ATOM 0 HE2 TYR A 34 -3.383 -15.528 -1.101 1.00 1.02 H new ATOM 0 HH TYR A 34 -5.996 -15.163 0.541 1.00 0.85 H new ATOM 533 N GLN A 35 0.437 -11.319 -2.431 1.00 0.44 N ATOM 534 CA GLN A 35 1.644 -12.062 -2.099 1.00 0.47 C ATOM 535 C GLN A 35 2.490 -11.282 -1.093 1.00 0.37 C ATOM 536 O GLN A 35 3.137 -11.860 -0.226 1.00 0.39 O ATOM 537 CB GLN A 35 2.442 -12.350 -3.372 1.00 0.61 C ATOM 538 CG GLN A 35 3.681 -13.197 -3.145 1.00 1.02 C ATOM 539 CD GLN A 35 4.067 -14.002 -4.369 1.00 1.41 C ATOM 540 OE1 GLN A 35 3.210 -14.435 -5.140 1.00 1.89 O ATOM 541 NE2 GLN A 35 5.358 -14.197 -4.566 1.00 2.27 N ATOM 0 H GLN A 35 0.402 -10.989 -3.395 1.00 0.44 H new ATOM 0 HA GLN A 35 1.364 -13.011 -1.641 1.00 0.47 H new ATOM 0 HB2 GLN A 35 1.794 -12.856 -4.088 1.00 0.61 H new ATOM 0 HB3 GLN A 35 2.739 -11.404 -3.824 1.00 0.61 H new ATOM 0 HG2 GLN A 35 4.512 -12.551 -2.863 1.00 1.02 H new ATOM 0 HG3 GLN A 35 3.506 -13.874 -2.309 1.00 1.02 H new ATOM 0 HE21 GLN A 35 6.037 -13.822 -3.904 1.00 2.27 H new ATOM 0 HE22 GLN A 35 5.676 -14.723 -5.380 1.00 2.27 H new ATOM 550 N PHE A 36 2.459 -9.962 -1.196 1.00 0.33 N ATOM 551 CA PHE A 36 3.220 -9.112 -0.291 1.00 0.29 C ATOM 552 C PHE A 36 2.423 -8.823 0.979 1.00 0.23 C ATOM 553 O PHE A 36 2.991 -8.524 2.027 1.00 0.29 O ATOM 554 CB PHE A 36 3.594 -7.794 -0.988 1.00 0.34 C ATOM 555 CG PHE A 36 4.865 -7.860 -1.785 1.00 0.45 C ATOM 556 CD1 PHE A 36 5.123 -8.936 -2.617 1.00 0.56 C ATOM 557 CD2 PHE A 36 5.800 -6.843 -1.700 1.00 0.64 C ATOM 558 CE1 PHE A 36 6.290 -8.999 -3.350 1.00 0.77 C ATOM 559 CE2 PHE A 36 6.970 -6.898 -2.430 1.00 0.83 C ATOM 560 CZ PHE A 36 7.216 -7.979 -3.256 1.00 0.87 C ATOM 0 H PHE A 36 1.916 -9.456 -1.896 1.00 0.33 H new ATOM 0 HA PHE A 36 4.133 -9.639 -0.014 1.00 0.29 H new ATOM 0 HB2 PHE A 36 2.778 -7.501 -1.649 1.00 0.34 H new ATOM 0 HB3 PHE A 36 3.690 -7.012 -0.235 1.00 0.34 H new ATOM 0 HD1 PHE A 36 4.402 -9.736 -2.693 1.00 0.56 H new ATOM 0 HD2 PHE A 36 5.612 -5.997 -1.055 1.00 0.64 H new ATOM 0 HE1 PHE A 36 6.479 -9.844 -3.996 1.00 0.77 H new ATOM 0 HE2 PHE A 36 7.692 -6.098 -2.356 1.00 0.83 H new ATOM 0 HZ PHE A 36 8.131 -8.026 -3.827 1.00 0.87 H new ATOM 570 N GLU A 37 1.109 -8.952 0.882 1.00 0.25 N ATOM 571 CA GLU A 37 0.216 -8.677 2.002 1.00 0.36 C ATOM 572 C GLU A 37 0.073 -9.878 2.944 1.00 0.30 C ATOM 573 O GLU A 37 0.457 -9.806 4.107 1.00 0.46 O ATOM 574 CB GLU A 37 -1.161 -8.263 1.471 1.00 0.54 C ATOM 575 CG GLU A 37 -2.110 -7.733 2.536 1.00 0.95 C ATOM 576 CD GLU A 37 -1.680 -6.389 3.091 1.00 1.33 C ATOM 577 OE1 GLU A 37 -1.681 -5.394 2.332 1.00 1.87 O ATOM 578 OE2 GLU A 37 -1.352 -6.322 4.296 1.00 1.89 O1- ATOM 0 H GLU A 37 0.631 -9.248 0.031 1.00 0.25 H new ATOM 0 HA GLU A 37 0.655 -7.864 2.581 1.00 0.36 H new ATOM 0 HB2 GLU A 37 -1.027 -7.497 0.707 1.00 0.54 H new ATOM 0 HB3 GLU A 37 -1.623 -9.122 0.984 1.00 0.54 H new ATOM 0 HG2 GLU A 37 -3.110 -7.643 2.112 1.00 0.95 H new ATOM 0 HG3 GLU A 37 -2.173 -8.454 3.351 1.00 0.95 H new ATOM 585 N GLU A 38 -0.459 -10.986 2.439 1.00 0.30 N ATOM 586 CA GLU A 38 -0.681 -12.166 3.278 1.00 0.37 C ATOM 587 C GLU A 38 0.489 -13.153 3.257 1.00 0.34 C ATOM 588 O GLU A 38 0.778 -13.786 4.271 1.00 0.50 O ATOM 589 CB GLU A 38 -1.977 -12.875 2.863 1.00 0.55 C ATOM 590 CG GLU A 38 -2.461 -13.900 3.879 1.00 0.99 C ATOM 591 CD GLU A 38 -2.498 -13.357 5.299 1.00 1.34 C ATOM 592 OE1 GLU A 38 -3.278 -12.422 5.565 1.00 1.89 O ATOM 593 OE2 GLU A 38 -1.740 -13.865 6.155 1.00 2.00 O1- ATOM 0 H GLU A 38 -0.743 -11.095 1.465 1.00 0.30 H new ATOM 0 HA GLU A 38 -0.766 -11.806 4.303 1.00 0.37 H new ATOM 0 HB2 GLU A 38 -2.757 -12.129 2.711 1.00 0.55 H new ATOM 0 HB3 GLU A 38 -1.820 -13.371 1.905 1.00 0.55 H new ATOM 0 HG2 GLU A 38 -3.459 -14.238 3.599 1.00 0.99 H new ATOM 0 HG3 GLU A 38 -1.808 -14.772 3.846 1.00 0.99 H new ATOM 600 N VAL A 39 1.173 -13.284 2.133 1.00 0.33 N ATOM 601 CA VAL A 39 2.282 -14.230 2.052 1.00 0.37 C ATOM 602 C VAL A 39 3.535 -13.692 2.749 1.00 0.31 C ATOM 603 O VAL A 39 4.046 -14.312 3.679 1.00 0.43 O ATOM 604 CB VAL A 39 2.605 -14.600 0.588 1.00 0.48 C ATOM 605 CG1 VAL A 39 3.851 -15.466 0.509 1.00 0.58 C ATOM 606 CG2 VAL A 39 1.426 -15.312 -0.059 1.00 0.58 C ATOM 0 H VAL A 39 0.988 -12.760 1.277 1.00 0.33 H new ATOM 0 HA VAL A 39 1.964 -15.133 2.572 1.00 0.37 H new ATOM 0 HB VAL A 39 2.795 -13.676 0.043 1.00 0.48 H new ATOM 0 HG11 VAL A 39 4.057 -15.713 -0.532 1.00 0.58 H new ATOM 0 HG12 VAL A 39 4.698 -14.923 0.928 1.00 0.58 H new ATOM 0 HG13 VAL A 39 3.693 -16.384 1.075 1.00 0.58 H new ATOM 0 HG21 VAL A 39 1.674 -15.564 -1.090 1.00 0.58 H new ATOM 0 HG22 VAL A 39 1.204 -16.225 0.494 1.00 0.58 H new ATOM 0 HG23 VAL A 39 0.554 -14.658 -0.045 1.00 0.58 H new ATOM 616 N LEU A 40 4.021 -12.539 2.314 1.00 0.24 N ATOM 617 CA LEU A 40 5.226 -11.966 2.904 1.00 0.24 C ATOM 618 C LEU A 40 4.916 -11.047 4.087 1.00 0.23 C ATOM 619 O LEU A 40 5.753 -10.886 4.977 1.00 0.27 O ATOM 620 CB LEU A 40 6.035 -11.207 1.843 1.00 0.26 C ATOM 621 CG LEU A 40 6.484 -12.049 0.643 1.00 0.31 C ATOM 622 CD1 LEU A 40 7.305 -11.210 -0.325 1.00 0.35 C ATOM 623 CD2 LEU A 40 7.283 -13.259 1.103 1.00 0.41 C ATOM 0 H LEU A 40 3.607 -11.986 1.564 1.00 0.24 H new ATOM 0 HA LEU A 40 5.819 -12.797 3.285 1.00 0.24 H new ATOM 0 HB2 LEU A 40 5.435 -10.373 1.478 1.00 0.26 H new ATOM 0 HB3 LEU A 40 6.918 -10.780 2.318 1.00 0.26 H new ATOM 0 HG LEU A 40 5.592 -12.402 0.125 1.00 0.31 H new ATOM 0 HD11 LEU A 40 7.614 -11.826 -1.169 1.00 0.35 H new ATOM 0 HD12 LEU A 40 6.702 -10.376 -0.685 1.00 0.35 H new ATOM 0 HD13 LEU A 40 8.188 -10.825 0.185 1.00 0.35 H new ATOM 0 HD21 LEU A 40 7.592 -13.842 0.236 1.00 0.41 H new ATOM 0 HD22 LEU A 40 8.166 -12.926 1.649 1.00 0.41 H new ATOM 0 HD23 LEU A 40 6.665 -13.877 1.755 1.00 0.41 H new ATOM 635 N HIS A 41 3.715 -10.463 4.101 1.00 0.20 N ATOM 636 CA HIS A 41 3.306 -9.545 5.173 1.00 0.23 C ATOM 637 C HIS A 41 4.303 -8.392 5.300 1.00 0.22 C ATOM 638 O HIS A 41 4.776 -8.075 6.393 1.00 0.28 O ATOM 639 CB HIS A 41 3.172 -10.281 6.518 1.00 0.30 C ATOM 640 CG HIS A 41 1.807 -10.848 6.769 1.00 0.42 C ATOM 641 ND1 HIS A 41 0.726 -10.078 7.141 1.00 0.82 N ATOM 642 CD2 HIS A 41 1.346 -12.118 6.683 1.00 0.62 C ATOM 643 CE1 HIS A 41 -0.338 -10.850 7.270 1.00 0.84 C ATOM 644 NE2 HIS A 41 0.009 -12.092 6.996 1.00 0.68 N ATOM 0 H HIS A 41 3.006 -10.608 3.382 1.00 0.20 H new ATOM 0 HA HIS A 41 2.329 -9.140 4.909 1.00 0.23 H new ATOM 0 HB2 HIS A 41 3.902 -11.090 6.552 1.00 0.30 H new ATOM 0 HB3 HIS A 41 3.422 -9.591 7.324 1.00 0.30 H new ATOM 0 HD1 HIS A 41 0.745 -9.070 7.293 1.00 0.82 H new ATOM 0 HD2 HIS A 41 1.923 -12.991 6.417 1.00 0.62 H new ATOM 0 HE1 HIS A 41 -1.327 -10.519 7.553 1.00 0.84 H new ATOM 0 HE2 HIS A 41 -0.613 -12.900 7.014 1.00 0.68 H new ATOM 653 N ILE A 42 4.609 -7.767 4.169 1.00 0.23 N ATOM 654 CA ILE A 42 5.561 -6.664 4.122 1.00 0.26 C ATOM 655 C ILE A 42 5.119 -5.493 4.999 1.00 0.27 C ATOM 656 O ILE A 42 5.883 -5.025 5.843 1.00 0.31 O ATOM 657 CB ILE A 42 5.769 -6.167 2.670 1.00 0.32 C ATOM 658 CG1 ILE A 42 6.274 -7.311 1.782 1.00 0.36 C ATOM 659 CG2 ILE A 42 6.735 -4.987 2.625 1.00 0.37 C ATOM 660 CD1 ILE A 42 7.645 -7.834 2.162 1.00 0.41 C ATOM 0 H ILE A 42 4.207 -8.009 3.263 1.00 0.23 H new ATOM 0 HA ILE A 42 6.504 -7.050 4.509 1.00 0.26 H new ATOM 0 HB ILE A 42 4.807 -5.826 2.288 1.00 0.32 H new ATOM 0 HG12 ILE A 42 5.559 -8.133 1.826 1.00 0.36 H new ATOM 0 HG13 ILE A 42 6.302 -6.968 0.748 1.00 0.36 H new ATOM 0 HG21 ILE A 42 6.862 -4.660 1.593 1.00 0.37 H new ATOM 0 HG22 ILE A 42 6.334 -4.166 3.220 1.00 0.37 H new ATOM 0 HG23 ILE A 42 7.700 -5.291 3.030 1.00 0.37 H new ATOM 0 HD11 ILE A 42 7.927 -8.640 1.485 1.00 0.41 H new ATOM 0 HD12 ILE A 42 8.375 -7.028 2.090 1.00 0.41 H new ATOM 0 HD13 ILE A 42 7.620 -8.211 3.185 1.00 0.41 H new ATOM 672 N SER A 43 3.882 -5.043 4.814 1.00 0.33 N ATOM 673 CA SER A 43 3.345 -3.920 5.577 1.00 0.39 C ATOM 674 C SER A 43 3.422 -4.173 7.082 1.00 0.38 C ATOM 675 O SER A 43 3.751 -3.271 7.852 1.00 0.45 O ATOM 676 CB SER A 43 1.901 -3.656 5.155 1.00 0.50 C ATOM 677 OG SER A 43 1.727 -3.922 3.774 1.00 1.03 O ATOM 0 H SER A 43 3.229 -5.441 4.139 1.00 0.33 H new ATOM 0 HA SER A 43 3.953 -3.041 5.362 1.00 0.39 H new ATOM 0 HB2 SER A 43 1.226 -4.282 5.739 1.00 0.50 H new ATOM 0 HB3 SER A 43 1.638 -2.620 5.367 1.00 0.50 H new ATOM 0 HG SER A 43 2.348 -3.371 3.254 1.00 1.03 H new ATOM 683 N ASP A 44 3.136 -5.402 7.493 1.00 0.37 N ATOM 684 CA ASP A 44 3.182 -5.765 8.905 1.00 0.44 C ATOM 685 C ASP A 44 4.603 -5.676 9.425 1.00 0.41 C ATOM 686 O ASP A 44 4.860 -5.089 10.475 1.00 0.52 O ATOM 687 CB ASP A 44 2.651 -7.181 9.124 1.00 0.51 C ATOM 688 CG ASP A 44 1.150 -7.260 8.976 1.00 0.92 C ATOM 689 OD1 ASP A 44 0.434 -7.024 9.972 1.00 1.43 O1- ATOM 690 OD2 ASP A 44 0.678 -7.562 7.862 1.00 1.73 O ATOM 0 H ASP A 44 2.870 -6.164 6.870 1.00 0.37 H new ATOM 0 HA ASP A 44 2.550 -5.064 9.450 1.00 0.44 H new ATOM 0 HB2 ASP A 44 3.120 -7.857 8.409 1.00 0.51 H new ATOM 0 HB3 ASP A 44 2.934 -7.523 10.120 1.00 0.51 H new ATOM 695 N ASN A 45 5.526 -6.256 8.670 1.00 0.33 N ATOM 696 CA ASN A 45 6.939 -6.256 9.039 1.00 0.37 C ATOM 697 C ASN A 45 7.470 -4.835 9.161 1.00 0.39 C ATOM 698 O ASN A 45 8.212 -4.519 10.092 1.00 0.48 O ATOM 699 CB ASN A 45 7.768 -7.028 8.010 1.00 0.38 C ATOM 700 CG ASN A 45 7.864 -8.503 8.337 1.00 0.68 C ATOM 701 OD1 ASN A 45 8.733 -8.927 9.098 1.00 1.19 O ATOM 702 ND2 ASN A 45 6.973 -9.296 7.763 1.00 1.12 N ATOM 0 H ASN A 45 5.322 -6.736 7.793 1.00 0.33 H new ATOM 0 HA ASN A 45 7.027 -6.748 10.008 1.00 0.37 H new ATOM 0 HB2 ASN A 45 7.323 -6.906 7.023 1.00 0.38 H new ATOM 0 HB3 ASN A 45 8.771 -6.603 7.962 1.00 0.38 H new ATOM 0 HD21 ASN A 45 6.991 -10.299 7.946 1.00 1.12 H new ATOM 0 HD22 ASN A 45 6.269 -8.904 7.138 1.00 1.12 H new ATOM 709 N VAL A 46 7.080 -3.988 8.217 1.00 0.33 N ATOM 710 CA VAL A 46 7.502 -2.594 8.211 1.00 0.36 C ATOM 711 C VAL A 46 7.014 -1.875 9.468 1.00 0.43 C ATOM 712 O VAL A 46 7.791 -1.209 10.144 1.00 0.49 O ATOM 713 CB VAL A 46 6.991 -1.866 6.947 1.00 0.33 C ATOM 714 CG1 VAL A 46 7.218 -0.367 7.045 1.00 0.43 C ATOM 715 CG2 VAL A 46 7.683 -2.413 5.712 1.00 0.31 C ATOM 0 H VAL A 46 6.469 -4.244 7.442 1.00 0.33 H new ATOM 0 HA VAL A 46 8.592 -2.576 8.201 1.00 0.36 H new ATOM 0 HB VAL A 46 5.918 -2.044 6.868 1.00 0.33 H new ATOM 0 HG11 VAL A 46 6.848 0.117 6.141 1.00 0.43 H new ATOM 0 HG12 VAL A 46 6.685 0.026 7.911 1.00 0.43 H new ATOM 0 HG13 VAL A 46 8.284 -0.167 7.154 1.00 0.43 H new ATOM 0 HG21 VAL A 46 7.315 -1.892 4.828 1.00 0.31 H new ATOM 0 HG22 VAL A 46 8.759 -2.261 5.801 1.00 0.31 H new ATOM 0 HG23 VAL A 46 7.473 -3.479 5.619 1.00 0.31 H new ATOM 725 N LYS A 47 5.737 -2.048 9.792 1.00 0.46 N ATOM 726 CA LYS A 47 5.140 -1.416 10.971 1.00 0.56 C ATOM 727 C LYS A 47 5.863 -1.820 12.258 1.00 0.60 C ATOM 728 O LYS A 47 5.967 -1.031 13.197 1.00 0.70 O ATOM 729 CB LYS A 47 3.661 -1.797 11.078 1.00 0.61 C ATOM 730 CG LYS A 47 2.782 -1.198 9.990 1.00 0.70 C ATOM 731 CD LYS A 47 1.403 -1.841 9.975 1.00 0.88 C ATOM 732 CE LYS A 47 0.539 -1.276 8.857 1.00 1.14 C ATOM 733 NZ LYS A 47 -0.802 -1.917 8.815 1.00 1.53 N1+ ATOM 0 H LYS A 47 5.089 -2.623 9.253 1.00 0.46 H new ATOM 0 HA LYS A 47 5.238 -0.337 10.850 1.00 0.56 H new ATOM 0 HB2 LYS A 47 3.574 -2.883 11.043 1.00 0.61 H new ATOM 0 HB3 LYS A 47 3.285 -1.478 12.050 1.00 0.61 H new ATOM 0 HG2 LYS A 47 2.683 -0.124 10.150 1.00 0.70 H new ATOM 0 HG3 LYS A 47 3.259 -1.333 9.019 1.00 0.70 H new ATOM 0 HD2 LYS A 47 1.504 -2.919 9.849 1.00 0.88 H new ATOM 0 HD3 LYS A 47 0.913 -1.676 10.934 1.00 0.88 H new ATOM 0 HE2 LYS A 47 0.423 -0.201 8.995 1.00 1.14 H new ATOM 0 HE3 LYS A 47 1.041 -1.422 7.901 1.00 1.14 H new ATOM 0 HZ1 LYS A 47 -1.360 -1.505 8.040 1.00 1.53 H new ATOM 0 HZ2 LYS A 47 -0.693 -2.939 8.657 1.00 1.53 H new ATOM 0 HZ3 LYS A 47 -1.292 -1.756 9.718 1.00 1.53 H new ATOM 747 N LYS A 48 6.365 -3.051 12.291 1.00 0.55 N ATOM 748 CA LYS A 48 7.066 -3.567 13.460 1.00 0.62 C ATOM 749 C LYS A 48 8.505 -3.055 13.524 1.00 0.61 C ATOM 750 O LYS A 48 9.156 -3.148 14.563 1.00 0.77 O ATOM 751 CB LYS A 48 7.064 -5.097 13.440 1.00 0.71 C ATOM 752 CG LYS A 48 5.671 -5.708 13.413 1.00 0.83 C ATOM 753 CD LYS A 48 5.726 -7.208 13.165 1.00 0.98 C ATOM 754 CE LYS A 48 4.351 -7.775 12.841 1.00 1.52 C ATOM 755 NZ LYS A 48 3.467 -7.840 14.036 1.00 2.02 N1+ ATOM 0 H LYS A 48 6.298 -3.712 11.517 1.00 0.55 H new ATOM 0 HA LYS A 48 6.540 -3.211 14.346 1.00 0.62 H new ATOM 0 HB2 LYS A 48 7.618 -5.441 12.567 1.00 0.71 H new ATOM 0 HB3 LYS A 48 7.595 -5.463 14.319 1.00 0.71 H new ATOM 0 HG2 LYS A 48 5.168 -5.513 14.360 1.00 0.83 H new ATOM 0 HG3 LYS A 48 5.078 -5.230 12.633 1.00 0.83 H new ATOM 0 HD2 LYS A 48 6.409 -7.416 12.341 1.00 0.98 H new ATOM 0 HD3 LYS A 48 6.128 -7.708 14.046 1.00 0.98 H new ATOM 0 HE2 LYS A 48 3.878 -7.159 12.076 1.00 1.52 H new ATOM 0 HE3 LYS A 48 4.463 -8.775 12.421 1.00 1.52 H new ATOM 0 HZ1 LYS A 48 2.543 -8.233 13.764 1.00 2.02 H new ATOM 0 HZ2 LYS A 48 3.903 -8.449 14.758 1.00 2.02 H new ATOM 0 HZ3 LYS A 48 3.336 -6.884 14.423 1.00 2.02 H new ATOM 769 N LYS A 49 9.003 -2.523 12.413 1.00 0.53 N ATOM 770 CA LYS A 49 10.373 -2.011 12.360 1.00 0.54 C ATOM 771 C LYS A 49 10.393 -0.487 12.456 1.00 0.52 C ATOM 772 O LYS A 49 11.399 0.109 12.857 1.00 0.64 O ATOM 773 CB LYS A 49 11.064 -2.458 11.067 1.00 0.58 C ATOM 774 CG LYS A 49 11.314 -3.957 10.988 1.00 0.78 C ATOM 775 CD LYS A 49 12.789 -4.291 11.165 1.00 0.87 C ATOM 776 CE LYS A 49 13.055 -5.764 10.896 1.00 1.19 C ATOM 777 NZ LYS A 49 14.472 -6.135 11.147 1.00 1.44 N1+ ATOM 0 H LYS A 49 8.484 -2.434 11.540 1.00 0.53 H new ATOM 0 HA LYS A 49 10.914 -2.420 13.213 1.00 0.54 H new ATOM 0 HB2 LYS A 49 10.452 -2.156 10.217 1.00 0.58 H new ATOM 0 HB3 LYS A 49 12.016 -1.935 10.976 1.00 0.58 H new ATOM 0 HG2 LYS A 49 10.731 -4.464 11.757 1.00 0.78 H new ATOM 0 HG3 LYS A 49 10.968 -4.334 10.025 1.00 0.78 H new ATOM 0 HD2 LYS A 49 13.387 -3.681 10.487 1.00 0.87 H new ATOM 0 HD3 LYS A 49 13.102 -4.041 12.179 1.00 0.87 H new ATOM 0 HE2 LYS A 49 12.406 -6.370 11.528 1.00 1.19 H new ATOM 0 HE3 LYS A 49 12.799 -5.995 9.862 1.00 1.19 H new ATOM 0 HZ1 LYS A 49 14.647 -7.097 10.792 1.00 1.44 H new ATOM 0 HZ2 LYS A 49 15.098 -5.466 10.656 1.00 1.44 H new ATOM 0 HZ3 LYS A 49 14.664 -6.102 12.169 1.00 1.44 H new ATOM 791 N LEU A 50 9.282 0.135 12.078 1.00 0.53 N ATOM 792 CA LEU A 50 9.164 1.589 12.107 1.00 0.54 C ATOM 793 C LEU A 50 9.241 2.115 13.528 1.00 0.54 C ATOM 794 O LEU A 50 8.649 1.542 14.443 1.00 0.59 O ATOM 795 CB LEU A 50 7.850 2.040 11.471 1.00 0.60 C ATOM 796 CG LEU A 50 7.716 1.753 9.977 1.00 0.64 C ATOM 797 CD1 LEU A 50 6.427 2.348 9.431 1.00 1.00 C ATOM 798 CD2 LEU A 50 8.927 2.279 9.212 1.00 0.91 C ATOM 0 H LEU A 50 8.446 -0.347 11.746 1.00 0.53 H new ATOM 0 HA LEU A 50 9.998 1.995 11.534 1.00 0.54 H new ATOM 0 HB2 LEU A 50 7.027 1.553 11.993 1.00 0.60 H new ATOM 0 HB3 LEU A 50 7.738 3.113 11.630 1.00 0.60 H new ATOM 0 HG LEU A 50 7.676 0.672 9.839 1.00 0.64 H new ATOM 0 HD11 LEU A 50 6.350 2.133 8.365 1.00 1.00 H new ATOM 0 HD12 LEU A 50 5.575 1.911 9.952 1.00 1.00 H new ATOM 0 HD13 LEU A 50 6.431 3.427 9.584 1.00 1.00 H new ATOM 0 HD21 LEU A 50 8.809 2.063 8.150 1.00 0.91 H new ATOM 0 HD22 LEU A 50 9.009 3.356 9.356 1.00 0.91 H new ATOM 0 HD23 LEU A 50 9.830 1.794 9.582 1.00 0.91 H new ATOM 810 N PRO A 51 9.984 3.214 13.726 1.00 0.57 N ATOM 811 CA PRO A 51 10.131 3.838 15.038 1.00 0.64 C ATOM 812 C PRO A 51 8.864 4.577 15.459 1.00 0.63 C ATOM 813 O PRO A 51 7.930 4.745 14.668 1.00 0.66 O ATOM 814 CB PRO A 51 11.287 4.819 14.836 1.00 0.73 C ATOM 815 CG PRO A 51 11.271 5.149 13.388 1.00 0.74 C ATOM 816 CD PRO A 51 10.746 3.929 12.681 1.00 0.61 C ATOM 0 HA PRO A 51 10.314 3.108 15.827 1.00 0.64 H new ATOM 0 HB2 PRO A 51 11.155 5.713 15.445 1.00 0.73 H new ATOM 0 HB3 PRO A 51 12.238 4.372 15.127 1.00 0.73 H new ATOM 0 HG2 PRO A 51 10.637 6.014 13.194 1.00 0.74 H new ATOM 0 HG3 PRO A 51 12.271 5.402 13.036 1.00 0.74 H new ATOM 0 HD2 PRO A 51 10.111 4.198 11.837 1.00 0.61 H new ATOM 0 HD3 PRO A 51 11.556 3.316 12.287 1.00 0.61 H new ATOM 824 N GLU A 52 8.848 5.032 16.697 1.00 0.71 N ATOM 825 CA GLU A 52 7.701 5.737 17.246 1.00 0.76 C ATOM 826 C GLU A 52 7.517 7.103 16.593 1.00 0.75 C ATOM 827 O GLU A 52 8.482 7.837 16.377 1.00 0.82 O ATOM 828 CB GLU A 52 7.877 5.903 18.750 1.00 0.88 C ATOM 829 CG GLU A 52 8.183 4.599 19.470 1.00 1.52 C ATOM 830 CD GLU A 52 9.147 4.785 20.618 1.00 1.98 C ATOM 831 OE1 GLU A 52 8.688 5.098 21.737 1.00 2.63 O ATOM 832 OE2 GLU A 52 10.370 4.637 20.402 1.00 2.38 O1- ATOM 0 H GLU A 52 9.625 4.925 17.350 1.00 0.71 H new ATOM 0 HA GLU A 52 6.809 5.146 17.039 1.00 0.76 H new ATOM 0 HB2 GLU A 52 8.684 6.611 18.938 1.00 0.88 H new ATOM 0 HB3 GLU A 52 6.969 6.336 19.169 1.00 0.88 H new ATOM 0 HG2 GLU A 52 7.255 4.168 19.845 1.00 1.52 H new ATOM 0 HG3 GLU A 52 8.601 3.885 18.760 1.00 1.52 H new ATOM 839 N GLY A 53 6.271 7.429 16.276 1.00 0.76 N ATOM 840 CA GLY A 53 5.971 8.709 15.665 1.00 0.77 C ATOM 841 C GLY A 53 5.774 8.615 14.166 1.00 0.72 C ATOM 842 O GLY A 53 5.106 9.458 13.568 1.00 0.82 O ATOM 0 H GLY A 53 5.461 6.829 16.431 1.00 0.76 H new ATOM 0 HA2 GLY A 53 5.070 9.121 16.120 1.00 0.77 H new ATOM 0 HA3 GLY A 53 6.782 9.406 15.877 1.00 0.77 H new ATOM 846 N VAL A 54 6.337 7.583 13.558 1.00 0.69 N ATOM 847 CA VAL A 54 6.228 7.397 12.118 1.00 0.65 C ATOM 848 C VAL A 54 4.912 6.711 11.751 1.00 0.65 C ATOM 849 O VAL A 54 4.542 5.694 12.341 1.00 0.74 O ATOM 850 CB VAL A 54 7.418 6.573 11.576 1.00 0.64 C ATOM 851 CG1 VAL A 54 7.286 6.333 10.080 1.00 0.85 C ATOM 852 CG2 VAL A 54 8.731 7.275 11.892 1.00 1.03 C ATOM 0 H VAL A 54 6.874 6.861 14.038 1.00 0.69 H new ATOM 0 HA VAL A 54 6.247 8.385 11.657 1.00 0.65 H new ATOM 0 HB VAL A 54 7.411 5.601 12.070 1.00 0.64 H new ATOM 0 HG11 VAL A 54 8.138 5.751 9.728 1.00 0.85 H new ATOM 0 HG12 VAL A 54 6.365 5.786 9.879 1.00 0.85 H new ATOM 0 HG13 VAL A 54 7.261 7.290 9.559 1.00 0.85 H new ATOM 0 HG21 VAL A 54 9.562 6.685 11.505 1.00 1.03 H new ATOM 0 HG22 VAL A 54 8.738 8.260 11.426 1.00 1.03 H new ATOM 0 HG23 VAL A 54 8.835 7.383 12.972 1.00 1.03 H new ATOM 862 N LYS A 55 4.199 7.286 10.790 1.00 0.64 N ATOM 863 CA LYS A 55 2.930 6.735 10.342 1.00 0.66 C ATOM 864 C LYS A 55 3.055 6.212 8.916 1.00 0.58 C ATOM 865 O LYS A 55 3.569 6.901 8.032 1.00 0.61 O ATOM 866 CB LYS A 55 1.825 7.794 10.431 1.00 0.76 C ATOM 867 CG LYS A 55 0.492 7.340 9.849 1.00 1.35 C ATOM 868 CD LYS A 55 -0.665 8.196 10.345 1.00 1.43 C ATOM 869 CE LYS A 55 -1.190 7.714 11.691 1.00 2.21 C ATOM 870 NZ LYS A 55 -2.067 6.520 11.559 1.00 2.51 N1+ ATOM 0 H LYS A 55 4.482 8.138 10.305 1.00 0.64 H new ATOM 0 HA LYS A 55 2.662 5.903 10.994 1.00 0.66 H new ATOM 0 HB2 LYS A 55 1.680 8.068 11.476 1.00 0.76 H new ATOM 0 HB3 LYS A 55 2.152 8.693 9.908 1.00 0.76 H new ATOM 0 HG2 LYS A 55 0.537 7.385 8.761 1.00 1.35 H new ATOM 0 HG3 LYS A 55 0.314 6.299 10.118 1.00 1.35 H new ATOM 0 HD2 LYS A 55 -0.339 9.232 10.432 1.00 1.43 H new ATOM 0 HD3 LYS A 55 -1.472 8.176 9.612 1.00 1.43 H new ATOM 0 HE2 LYS A 55 -0.349 7.475 12.342 1.00 2.21 H new ATOM 0 HE3 LYS A 55 -1.746 8.519 12.171 1.00 2.21 H new ATOM 0 HZ1 LYS A 55 -2.400 6.228 12.500 1.00 2.51 H new ATOM 0 HZ2 LYS A 55 -2.884 6.754 10.960 1.00 2.51 H new ATOM 0 HZ3 LYS A 55 -1.531 5.742 11.125 1.00 2.51 H new ATOM 884 N MET A 56 2.603 4.985 8.709 1.00 0.55 N ATOM 885 CA MET A 56 2.652 4.355 7.398 1.00 0.50 C ATOM 886 C MET A 56 1.350 4.607 6.646 1.00 0.47 C ATOM 887 O MET A 56 0.270 4.548 7.233 1.00 0.59 O ATOM 888 CB MET A 56 2.897 2.850 7.540 1.00 0.57 C ATOM 889 CG MET A 56 3.022 2.125 6.211 1.00 0.85 C ATOM 890 SD MET A 56 3.210 0.343 6.404 1.00 1.09 S ATOM 891 CE MET A 56 3.612 -0.122 4.724 1.00 1.28 C ATOM 0 H MET A 56 2.195 4.401 9.439 1.00 0.55 H new ATOM 0 HA MET A 56 3.476 4.790 6.832 1.00 0.50 H new ATOM 0 HB2 MET A 56 3.808 2.692 8.117 1.00 0.57 H new ATOM 0 HB3 MET A 56 2.078 2.409 8.109 1.00 0.57 H new ATOM 0 HG2 MET A 56 2.139 2.329 5.606 1.00 0.85 H new ATOM 0 HG3 MET A 56 3.880 2.520 5.666 1.00 0.85 H new ATOM 0 HE1 MET A 56 4.335 -0.938 4.735 1.00 1.28 H new ATOM 0 HE2 MET A 56 2.707 -0.446 4.210 1.00 1.28 H new ATOM 0 HE3 MET A 56 4.039 0.734 4.202 1.00 1.28 H new ATOM 901 N THR A 57 1.455 4.888 5.355 1.00 0.42 N ATOM 902 CA THR A 57 0.280 5.152 4.540 1.00 0.43 C ATOM 903 C THR A 57 0.192 4.182 3.362 1.00 0.41 C ATOM 904 O THR A 57 1.159 4.001 2.625 1.00 0.47 O ATOM 905 CB THR A 57 0.302 6.597 4.013 1.00 0.48 C ATOM 906 OG1 THR A 57 1.014 7.433 4.934 1.00 0.60 O ATOM 907 CG2 THR A 57 -1.112 7.124 3.827 1.00 0.61 C ATOM 0 H THR A 57 2.340 4.939 4.851 1.00 0.42 H new ATOM 0 HA THR A 57 -0.596 5.011 5.173 1.00 0.43 H new ATOM 0 HB THR A 57 0.804 6.608 3.045 1.00 0.48 H new ATOM 0 HG1 THR A 57 0.894 8.373 4.683 1.00 0.60 H new ATOM 0 HG21 THR A 57 -1.073 8.147 3.454 1.00 0.61 H new ATOM 0 HG22 THR A 57 -1.643 6.497 3.111 1.00 0.61 H new ATOM 0 HG23 THR A 57 -1.636 7.106 4.783 1.00 0.61 H new ATOM 915 N LYS A 58 -0.966 3.559 3.201 1.00 0.39 N ATOM 916 CA LYS A 58 -1.199 2.617 2.116 1.00 0.39 C ATOM 917 C LYS A 58 -2.271 3.187 1.189 1.00 0.37 C ATOM 918 O LYS A 58 -3.379 3.476 1.635 1.00 0.43 O ATOM 919 CB LYS A 58 -1.644 1.264 2.688 1.00 0.47 C ATOM 920 CG LYS A 58 -1.539 0.101 1.709 1.00 0.77 C ATOM 921 CD LYS A 58 -2.193 -1.165 2.260 1.00 0.84 C ATOM 922 CE LYS A 58 -1.274 -1.925 3.211 1.00 0.86 C ATOM 923 NZ LYS A 58 -0.541 -3.026 2.526 1.00 0.70 N1+ ATOM 0 H LYS A 58 -1.768 3.691 3.817 1.00 0.39 H new ATOM 0 HA LYS A 58 -0.280 2.464 1.551 1.00 0.39 H new ATOM 0 HB2 LYS A 58 -1.040 1.039 3.567 1.00 0.47 H new ATOM 0 HB3 LYS A 58 -2.677 1.348 3.024 1.00 0.47 H new ATOM 0 HG2 LYS A 58 -2.014 0.375 0.767 1.00 0.77 H new ATOM 0 HG3 LYS A 58 -0.490 -0.097 1.491 1.00 0.77 H new ATOM 0 HD2 LYS A 58 -3.112 -0.899 2.782 1.00 0.84 H new ATOM 0 HD3 LYS A 58 -2.474 -1.816 1.432 1.00 0.84 H new ATOM 0 HE2 LYS A 58 -0.557 -1.232 3.651 1.00 0.86 H new ATOM 0 HE3 LYS A 58 -1.863 -2.338 4.030 1.00 0.86 H new ATOM 0 HZ1 LYS A 58 0.180 -3.415 3.167 1.00 0.70 H new ATOM 0 HZ2 LYS A 58 -1.210 -3.777 2.262 1.00 0.70 H new ATOM 0 HZ3 LYS A 58 -0.080 -2.656 1.670 1.00 0.70 H new ATOM 937 N TYR A 59 -1.940 3.360 -0.087 1.00 0.36 N ATOM 938 CA TYR A 59 -2.881 3.923 -1.059 1.00 0.39 C ATOM 939 C TYR A 59 -3.214 2.936 -2.172 1.00 0.37 C ATOM 940 O TYR A 59 -2.465 1.994 -2.433 1.00 0.36 O ATOM 941 CB TYR A 59 -2.307 5.190 -1.692 1.00 0.45 C ATOM 942 CG TYR A 59 -2.309 6.420 -0.804 1.00 0.48 C ATOM 943 CD1 TYR A 59 -3.270 6.610 0.188 1.00 0.56 C ATOM 944 CD2 TYR A 59 -1.350 7.406 -0.979 1.00 0.52 C ATOM 945 CE1 TYR A 59 -3.268 7.749 0.973 1.00 0.62 C ATOM 946 CE2 TYR A 59 -1.339 8.544 -0.195 1.00 0.60 C ATOM 947 CZ TYR A 59 -2.297 8.712 0.779 1.00 0.62 C ATOM 948 OH TYR A 59 -2.284 9.846 1.558 1.00 0.71 O ATOM 0 H TYR A 59 -1.028 3.119 -0.475 1.00 0.36 H new ATOM 0 HA TYR A 59 -3.794 4.154 -0.510 1.00 0.39 H new ATOM 0 HB2 TYR A 59 -1.282 4.988 -2.002 1.00 0.45 H new ATOM 0 HB3 TYR A 59 -2.875 5.414 -2.595 1.00 0.45 H new ATOM 0 HD1 TYR A 59 -4.027 5.857 0.346 1.00 0.56 H new ATOM 0 HD2 TYR A 59 -0.597 7.282 -1.743 1.00 0.52 H new ATOM 0 HE1 TYR A 59 -4.022 7.885 1.734 1.00 0.62 H new ATOM 0 HE2 TYR A 59 -0.581 9.299 -0.346 1.00 0.60 H new ATOM 0 HH TYR A 59 -1.535 10.418 1.291 1.00 0.71 H new ATOM 958 N HIS A 60 -4.339 3.175 -2.838 1.00 0.39 N ATOM 959 CA HIS A 60 -4.784 2.333 -3.941 1.00 0.40 C ATOM 960 C HIS A 60 -4.552 3.051 -5.270 1.00 0.42 C ATOM 961 O HIS A 60 -4.774 4.255 -5.377 1.00 0.46 O ATOM 962 CB HIS A 60 -6.272 1.990 -3.783 1.00 0.44 C ATOM 963 CG HIS A 60 -6.753 0.942 -4.746 1.00 0.46 C ATOM 964 ND1 HIS A 60 -7.446 1.230 -5.899 1.00 0.49 N ATOM 965 CD2 HIS A 60 -6.622 -0.402 -4.722 1.00 0.54 C ATOM 966 CE1 HIS A 60 -7.712 0.112 -6.545 1.00 0.51 C ATOM 967 NE2 HIS A 60 -7.221 -0.900 -5.856 1.00 0.57 N ATOM 0 H HIS A 60 -4.964 3.953 -2.629 1.00 0.39 H new ATOM 0 HA HIS A 60 -4.209 1.407 -3.930 1.00 0.40 H new ATOM 0 HB2 HIS A 60 -6.451 1.645 -2.765 1.00 0.44 H new ATOM 0 HB3 HIS A 60 -6.862 2.896 -3.921 1.00 0.44 H new ATOM 0 HD1 HIS A 60 -7.713 2.165 -6.207 1.00 0.49 H new ATOM 0 HD2 HIS A 60 -6.135 -0.981 -3.952 1.00 0.54 H new ATOM 0 HE1 HIS A 60 -8.243 0.037 -7.482 1.00 0.51 H new ATOM 976 N VAL A 61 -4.111 2.307 -6.277 1.00 0.44 N ATOM 977 CA VAL A 61 -3.843 2.879 -7.595 1.00 0.48 C ATOM 978 C VAL A 61 -4.948 2.528 -8.596 1.00 0.49 C ATOM 979 O VAL A 61 -5.599 1.487 -8.471 1.00 0.51 O ATOM 980 CB VAL A 61 -2.481 2.396 -8.132 1.00 0.52 C ATOM 981 CG1 VAL A 61 -1.352 2.959 -7.283 1.00 0.68 C ATOM 982 CG2 VAL A 61 -2.419 0.874 -8.165 1.00 0.55 C ATOM 0 H VAL A 61 -3.931 1.305 -6.208 1.00 0.44 H new ATOM 0 HA VAL A 61 -3.818 3.963 -7.479 1.00 0.48 H new ATOM 0 HB VAL A 61 -2.365 2.760 -9.153 1.00 0.52 H new ATOM 0 HG11 VAL A 61 -0.395 2.611 -7.672 1.00 0.68 H new ATOM 0 HG12 VAL A 61 -1.382 4.048 -7.314 1.00 0.68 H new ATOM 0 HG13 VAL A 61 -1.469 2.622 -6.253 1.00 0.68 H new ATOM 0 HG21 VAL A 61 -1.449 0.558 -8.547 1.00 0.55 H new ATOM 0 HG22 VAL A 61 -2.557 0.482 -7.157 1.00 0.55 H new ATOM 0 HG23 VAL A 61 -3.207 0.492 -8.814 1.00 0.55 H new ATOM 992 N ASN A 62 -5.146 3.390 -9.595 1.00 0.54 N ATOM 993 CA ASN A 62 -6.194 3.180 -10.600 1.00 0.57 C ATOM 994 C ASN A 62 -5.675 2.509 -11.871 1.00 0.58 C ATOM 995 O ASN A 62 -6.458 2.225 -12.782 1.00 0.76 O ATOM 996 CB ASN A 62 -6.852 4.508 -10.985 1.00 0.67 C ATOM 997 CG ASN A 62 -7.904 4.954 -9.995 1.00 0.69 C ATOM 998 OD1 ASN A 62 -8.527 4.139 -9.319 1.00 0.77 O ATOM 999 ND2 ASN A 62 -8.120 6.256 -9.908 1.00 0.93 N ATOM 0 H ASN A 62 -4.597 4.239 -9.731 1.00 0.54 H new ATOM 0 HA ASN A 62 -6.922 2.514 -10.136 1.00 0.57 H new ATOM 0 HB2 ASN A 62 -6.085 5.278 -11.063 1.00 0.67 H new ATOM 0 HB3 ASN A 62 -7.307 4.410 -11.971 1.00 0.67 H new ATOM 0 HD21 ASN A 62 -8.824 6.614 -9.263 1.00 0.93 H new ATOM 0 HD22 ASN A 62 -7.582 6.902 -10.486 1.00 0.93 H new ATOM 1006 N PHE A 63 -4.375 2.250 -11.957 1.00 0.54 N ATOM 1007 CA PHE A 63 -3.828 1.618 -13.161 1.00 0.55 C ATOM 1008 C PHE A 63 -3.883 0.098 -13.071 1.00 0.54 C ATOM 1009 O PHE A 63 -3.399 -0.601 -13.961 1.00 0.62 O ATOM 1010 CB PHE A 63 -2.397 2.094 -13.464 1.00 0.57 C ATOM 1011 CG PHE A 63 -1.372 1.789 -12.400 1.00 0.57 C ATOM 1012 CD1 PHE A 63 -0.841 0.515 -12.262 1.00 0.62 C ATOM 1013 CD2 PHE A 63 -0.922 2.788 -11.555 1.00 0.65 C ATOM 1014 CE1 PHE A 63 0.115 0.244 -11.302 1.00 0.70 C ATOM 1015 CE2 PHE A 63 0.034 2.525 -10.592 1.00 0.74 C ATOM 1016 CZ PHE A 63 0.552 1.249 -10.466 1.00 0.74 C ATOM 0 H PHE A 63 -3.692 2.460 -11.230 1.00 0.54 H new ATOM 0 HA PHE A 63 -4.461 1.930 -13.992 1.00 0.55 H new ATOM 0 HB2 PHE A 63 -2.071 1.638 -14.399 1.00 0.57 H new ATOM 0 HB3 PHE A 63 -2.418 3.172 -13.625 1.00 0.57 H new ATOM 0 HD1 PHE A 63 -1.180 -0.276 -12.914 1.00 0.62 H new ATOM 0 HD2 PHE A 63 -1.323 3.786 -11.649 1.00 0.65 H new ATOM 0 HE1 PHE A 63 0.519 -0.753 -11.207 1.00 0.70 H new ATOM 0 HE2 PHE A 63 0.376 3.315 -9.939 1.00 0.74 H new ATOM 0 HZ PHE A 63 1.298 1.040 -9.714 1.00 0.74 H new ATOM 1026 N MET A 64 -4.473 -0.407 -11.997 1.00 0.52 N ATOM 1027 CA MET A 64 -4.605 -1.842 -11.803 1.00 0.53 C ATOM 1028 C MET A 64 -5.975 -2.155 -11.225 1.00 0.55 C ATOM 1029 O MET A 64 -6.251 -1.872 -10.057 1.00 0.60 O ATOM 1030 CB MET A 64 -3.497 -2.388 -10.890 1.00 0.57 C ATOM 1031 CG MET A 64 -2.943 -3.731 -11.344 1.00 0.64 C ATOM 1032 SD MET A 64 -4.145 -5.070 -11.239 1.00 1.06 S ATOM 1033 CE MET A 64 -3.164 -6.435 -11.859 1.00 1.09 C ATOM 0 H MET A 64 -4.868 0.158 -11.246 1.00 0.52 H new ATOM 0 HA MET A 64 -4.502 -2.332 -12.771 1.00 0.53 H new ATOM 0 HB2 MET A 64 -2.683 -1.664 -10.847 1.00 0.57 H new ATOM 0 HB3 MET A 64 -3.888 -2.489 -9.878 1.00 0.57 H new ATOM 0 HG2 MET A 64 -2.596 -3.644 -12.373 1.00 0.64 H new ATOM 0 HG3 MET A 64 -2.075 -3.983 -10.735 1.00 0.64 H new ATOM 0 HE1 MET A 64 -3.656 -7.377 -11.616 1.00 1.09 H new ATOM 0 HE2 MET A 64 -3.062 -6.348 -12.941 1.00 1.09 H new ATOM 0 HE3 MET A 64 -2.176 -6.412 -11.398 1.00 1.09 H new ATOM 1043 N GLY A 65 -6.827 -2.731 -12.055 1.00 0.59 N ATOM 1044 CA GLY A 65 -8.172 -3.063 -11.636 1.00 0.64 C ATOM 1045 C GLY A 65 -9.180 -2.743 -12.719 1.00 0.66 C ATOM 1046 O GLY A 65 -10.364 -3.062 -12.601 1.00 0.78 O ATOM 0 H GLY A 65 -6.609 -2.977 -13.021 1.00 0.59 H new ATOM 0 HA2 GLY A 65 -8.227 -4.123 -11.387 1.00 0.64 H new ATOM 0 HA3 GLY A 65 -8.420 -2.510 -10.730 1.00 0.64 H new ATOM 1050 N GLY A 66 -8.699 -2.076 -13.767 1.00 0.65 N ATOM 1051 CA GLY A 66 -9.546 -1.720 -14.886 1.00 0.71 C ATOM 1052 C GLY A 66 -10.564 -0.661 -14.530 1.00 0.75 C ATOM 1053 O GLY A 66 -10.231 0.348 -13.909 1.00 0.81 O ATOM 0 H GLY A 66 -7.729 -1.775 -13.857 1.00 0.65 H new ATOM 0 HA2 GLY A 66 -8.925 -1.361 -15.707 1.00 0.71 H new ATOM 0 HA3 GLY A 66 -10.063 -2.610 -15.243 1.00 0.71 H new ATOM 1057 N ASP A 67 -11.807 -0.914 -14.902 1.00 0.84 N ATOM 1058 CA ASP A 67 -12.895 0.019 -14.655 1.00 0.96 C ATOM 1059 C ASP A 67 -13.310 0.032 -13.187 1.00 0.91 C ATOM 1060 O ASP A 67 -13.477 1.097 -12.594 1.00 0.93 O ATOM 1061 CB ASP A 67 -14.092 -0.339 -15.531 1.00 1.19 C ATOM 1062 CG ASP A 67 -15.211 0.671 -15.416 1.00 1.83 C ATOM 1063 OD1 ASP A 67 -15.200 1.661 -16.179 1.00 2.46 O ATOM 1064 OD2 ASP A 67 -16.105 0.483 -14.568 1.00 2.47 O1- ATOM 0 H ASP A 67 -12.091 -1.768 -15.382 1.00 0.84 H new ATOM 0 HA ASP A 67 -12.540 1.018 -14.906 1.00 0.96 H new ATOM 0 HB2 ASP A 67 -13.771 -0.406 -16.571 1.00 1.19 H new ATOM 0 HB3 ASP A 67 -14.464 -1.324 -15.249 1.00 1.19 H new ATOM 1069 N LEU A 68 -13.456 -1.154 -12.604 1.00 0.89 N ATOM 1070 CA LEU A 68 -13.866 -1.284 -11.208 1.00 0.89 C ATOM 1071 C LEU A 68 -12.733 -0.898 -10.261 1.00 0.79 C ATOM 1072 O LEU A 68 -12.962 -0.631 -9.080 1.00 0.82 O ATOM 1073 CB LEU A 68 -14.314 -2.718 -10.920 1.00 0.96 C ATOM 1074 CG LEU A 68 -14.920 -2.937 -9.536 1.00 1.18 C ATOM 1075 CD1 LEU A 68 -16.344 -2.402 -9.490 1.00 1.94 C ATOM 1076 CD2 LEU A 68 -14.882 -4.410 -9.171 1.00 1.07 C ATOM 0 H LEU A 68 -13.296 -2.043 -13.078 1.00 0.89 H new ATOM 0 HA LEU A 68 -14.701 -0.603 -11.040 1.00 0.89 H new ATOM 0 HB2 LEU A 68 -15.046 -3.012 -11.672 1.00 0.96 H new ATOM 0 HB3 LEU A 68 -13.456 -3.381 -11.034 1.00 0.96 H new ATOM 0 HG LEU A 68 -14.328 -2.389 -8.803 1.00 1.18 H new ATOM 0 HD11 LEU A 68 -16.762 -2.566 -8.497 1.00 1.94 H new ATOM 0 HD12 LEU A 68 -16.339 -1.334 -9.710 1.00 1.94 H new ATOM 0 HD13 LEU A 68 -16.952 -2.922 -10.230 1.00 1.94 H new ATOM 0 HD21 LEU A 68 -15.317 -4.551 -8.182 1.00 1.07 H new ATOM 0 HD22 LEU A 68 -15.453 -4.981 -9.903 1.00 1.07 H new ATOM 0 HD23 LEU A 68 -13.849 -4.757 -9.166 1.00 1.07 H new ATOM 1088 N GLY A 69 -11.510 -0.872 -10.778 1.00 0.70 N ATOM 1089 CA GLY A 69 -10.365 -0.516 -9.960 1.00 0.65 C ATOM 1090 C GLY A 69 -10.496 0.865 -9.343 1.00 0.64 C ATOM 1091 O GLY A 69 -10.034 1.101 -8.226 1.00 0.63 O ATOM 0 H GLY A 69 -11.290 -1.091 -11.750 1.00 0.70 H new ATOM 0 HA2 GLY A 69 -10.246 -1.254 -9.167 1.00 0.65 H new ATOM 0 HA3 GLY A 69 -9.462 -0.554 -10.569 1.00 0.65 H new ATOM 1095 N LYS A 70 -11.153 1.767 -10.059 1.00 0.68 N ATOM 1096 CA LYS A 70 -11.334 3.135 -9.591 1.00 0.71 C ATOM 1097 C LYS A 70 -12.324 3.209 -8.432 1.00 0.73 C ATOM 1098 O LYS A 70 -12.198 4.062 -7.548 1.00 0.74 O ATOM 1099 CB LYS A 70 -11.801 4.027 -10.741 1.00 0.79 C ATOM 1100 CG LYS A 70 -10.828 4.068 -11.914 1.00 0.89 C ATOM 1101 CD LYS A 70 -11.172 5.183 -12.885 1.00 1.35 C ATOM 1102 CE LYS A 70 -10.092 5.353 -13.939 1.00 1.83 C ATOM 1103 NZ LYS A 70 -10.402 6.468 -14.872 1.00 2.69 N1+ ATOM 0 H LYS A 70 -11.571 1.575 -10.969 1.00 0.68 H new ATOM 0 HA LYS A 70 -10.370 3.491 -9.226 1.00 0.71 H new ATOM 0 HB2 LYS A 70 -12.769 3.673 -11.095 1.00 0.79 H new ATOM 0 HB3 LYS A 70 -11.950 5.040 -10.367 1.00 0.79 H new ATOM 0 HG2 LYS A 70 -9.813 4.209 -11.541 1.00 0.89 H new ATOM 0 HG3 LYS A 70 -10.846 3.111 -12.436 1.00 0.89 H new ATOM 0 HD2 LYS A 70 -12.124 4.965 -13.369 1.00 1.35 H new ATOM 0 HD3 LYS A 70 -11.299 6.117 -12.338 1.00 1.35 H new ATOM 0 HE2 LYS A 70 -9.135 5.542 -13.452 1.00 1.83 H new ATOM 0 HE3 LYS A 70 -9.985 4.426 -14.503 1.00 1.83 H new ATOM 0 HZ1 LYS A 70 -9.642 6.553 -15.577 1.00 2.69 H new ATOM 0 HZ2 LYS A 70 -11.302 6.276 -15.356 1.00 2.69 H new ATOM 0 HZ3 LYS A 70 -10.479 7.357 -14.337 1.00 2.69 H new ATOM 1117 N ASP A 71 -13.296 2.308 -8.426 1.00 0.76 N ATOM 1118 CA ASP A 71 -14.308 2.282 -7.376 1.00 0.81 C ATOM 1119 C ASP A 71 -13.687 1.905 -6.040 1.00 0.75 C ATOM 1120 O ASP A 71 -13.986 2.511 -5.012 1.00 0.77 O ATOM 1121 CB ASP A 71 -15.428 1.301 -7.727 1.00 0.88 C ATOM 1122 CG ASP A 71 -16.248 1.757 -8.914 1.00 1.06 C ATOM 1123 OD1 ASP A 71 -15.791 1.584 -10.062 1.00 1.58 O ATOM 1124 OD2 ASP A 71 -17.365 2.282 -8.713 1.00 1.65 O1- ATOM 0 H ASP A 71 -13.407 1.584 -9.136 1.00 0.76 H new ATOM 0 HA ASP A 71 -14.733 3.282 -7.295 1.00 0.81 H new ATOM 0 HB2 ASP A 71 -14.996 0.324 -7.942 1.00 0.88 H new ATOM 0 HB3 ASP A 71 -16.082 1.178 -6.864 1.00 0.88 H new ATOM 1129 N LEU A 72 -12.798 0.914 -6.065 1.00 0.70 N ATOM 1130 CA LEU A 72 -12.131 0.464 -4.851 1.00 0.67 C ATOM 1131 C LEU A 72 -11.211 1.551 -4.299 1.00 0.61 C ATOM 1132 O LEU A 72 -10.917 1.574 -3.107 1.00 0.60 O ATOM 1133 CB LEU A 72 -11.353 -0.831 -5.100 1.00 0.66 C ATOM 1134 CG LEU A 72 -11.904 -2.057 -4.366 1.00 0.95 C ATOM 1135 CD1 LEU A 72 -11.224 -3.330 -4.845 1.00 1.05 C ATOM 1136 CD2 LEU A 72 -11.724 -1.904 -2.864 1.00 1.17 C ATOM 0 H LEU A 72 -12.526 0.411 -6.910 1.00 0.70 H new ATOM 0 HA LEU A 72 -12.898 0.258 -4.105 1.00 0.67 H new ATOM 0 HB2 LEU A 72 -11.348 -1.036 -6.170 1.00 0.66 H new ATOM 0 HB3 LEU A 72 -10.316 -0.680 -4.800 1.00 0.66 H new ATOM 0 HG LEU A 72 -12.968 -2.131 -4.589 1.00 0.95 H new ATOM 0 HD11 LEU A 72 -11.634 -4.186 -4.308 1.00 1.05 H new ATOM 0 HD12 LEU A 72 -11.398 -3.455 -5.914 1.00 1.05 H new ATOM 0 HD13 LEU A 72 -10.152 -3.263 -4.657 1.00 1.05 H new ATOM 0 HD21 LEU A 72 -12.121 -2.784 -2.358 1.00 1.17 H new ATOM 0 HD22 LEU A 72 -10.664 -1.800 -2.633 1.00 1.17 H new ATOM 0 HD23 LEU A 72 -12.258 -1.017 -2.522 1.00 1.17 H new ATOM 1148 N THR A 73 -10.762 2.455 -5.163 1.00 0.60 N ATOM 1149 CA THR A 73 -9.903 3.552 -4.738 1.00 0.57 C ATOM 1150 C THR A 73 -10.697 4.525 -3.869 1.00 0.62 C ATOM 1151 O THR A 73 -10.171 5.111 -2.919 1.00 0.62 O ATOM 1152 CB THR A 73 -9.316 4.291 -5.951 1.00 0.57 C ATOM 1153 OG1 THR A 73 -8.708 3.334 -6.827 1.00 0.56 O ATOM 1154 CG2 THR A 73 -8.280 5.326 -5.529 1.00 0.56 C ATOM 0 H THR A 73 -10.979 2.449 -6.160 1.00 0.60 H new ATOM 0 HA THR A 73 -9.078 3.138 -4.158 1.00 0.57 H new ATOM 0 HB THR A 73 -10.124 4.816 -6.460 1.00 0.57 H new ATOM 0 HG1 THR A 73 -8.470 3.769 -7.672 1.00 0.56 H new ATOM 0 HG21 THR A 73 -7.887 5.828 -6.413 1.00 0.56 H new ATOM 0 HG22 THR A 73 -8.746 6.060 -4.871 1.00 0.56 H new ATOM 0 HG23 THR A 73 -7.465 4.831 -5.001 1.00 0.56 H new ATOM 1162 N GLN A 74 -11.975 4.672 -4.195 1.00 0.67 N ATOM 1163 CA GLN A 74 -12.861 5.545 -3.447 1.00 0.73 C ATOM 1164 C GLN A 74 -13.249 4.863 -2.140 1.00 0.72 C ATOM 1165 O GLN A 74 -13.289 5.490 -1.086 1.00 0.74 O ATOM 1166 CB GLN A 74 -14.106 5.873 -4.276 1.00 0.81 C ATOM 1167 CG GLN A 74 -14.909 7.053 -3.750 1.00 0.90 C ATOM 1168 CD GLN A 74 -15.976 7.507 -4.728 1.00 1.06 C ATOM 1169 OE1 GLN A 74 -15.827 7.352 -5.944 1.00 1.14 O ATOM 1170 NE2 GLN A 74 -17.055 8.076 -4.211 1.00 1.21 N ATOM 0 H GLN A 74 -12.420 4.193 -4.978 1.00 0.67 H new ATOM 0 HA GLN A 74 -12.349 6.481 -3.223 1.00 0.73 H new ATOM 0 HB2 GLN A 74 -13.802 6.083 -5.301 1.00 0.81 H new ATOM 0 HB3 GLN A 74 -14.750 4.994 -4.308 1.00 0.81 H new ATOM 0 HG2 GLN A 74 -15.379 6.778 -2.806 1.00 0.90 H new ATOM 0 HG3 GLN A 74 -14.235 7.883 -3.540 1.00 0.90 H new ATOM 0 HE21 GLN A 74 -17.139 8.185 -3.200 1.00 1.21 H new ATOM 0 HE22 GLN A 74 -17.801 8.405 -4.824 1.00 1.21 H new ATOM 1179 N ALA A 75 -13.494 3.557 -2.223 1.00 0.71 N ATOM 1180 CA ALA A 75 -13.871 2.763 -1.059 1.00 0.70 C ATOM 1181 C ALA A 75 -12.737 2.705 -0.040 1.00 0.64 C ATOM 1182 O ALA A 75 -12.970 2.758 1.167 1.00 0.65 O ATOM 1183 CB ALA A 75 -14.265 1.355 -1.483 1.00 0.71 C ATOM 0 H ALA A 75 -13.437 3.025 -3.091 1.00 0.71 H new ATOM 0 HA ALA A 75 -14.727 3.245 -0.588 1.00 0.70 H new ATOM 0 HB1 ALA A 75 -14.544 0.775 -0.603 1.00 0.71 H new ATOM 0 HB2 ALA A 75 -15.111 1.405 -2.168 1.00 0.71 H new ATOM 0 HB3 ALA A 75 -13.422 0.876 -1.982 1.00 0.71 H new ATOM 1189 N TRP A 76 -11.509 2.599 -0.537 1.00 0.59 N ATOM 1190 CA TRP A 76 -10.333 2.545 0.324 1.00 0.54 C ATOM 1191 C TRP A 76 -10.227 3.813 1.163 1.00 0.56 C ATOM 1192 O TRP A 76 -9.858 3.766 2.337 1.00 0.55 O ATOM 1193 CB TRP A 76 -9.067 2.358 -0.517 1.00 0.50 C ATOM 1194 CG TRP A 76 -7.836 2.147 0.312 1.00 0.46 C ATOM 1195 CD1 TRP A 76 -6.743 2.960 0.377 1.00 0.46 C ATOM 1196 CD2 TRP A 76 -7.582 1.056 1.206 1.00 0.45 C ATOM 1197 NE1 TRP A 76 -5.824 2.440 1.254 1.00 0.44 N ATOM 1198 CE2 TRP A 76 -6.315 1.272 1.776 1.00 0.44 C ATOM 1199 CE3 TRP A 76 -8.304 -0.084 1.578 1.00 0.46 C ATOM 1200 CZ2 TRP A 76 -5.754 0.393 2.700 1.00 0.44 C ATOM 1201 CZ3 TRP A 76 -7.749 -0.955 2.495 1.00 0.47 C ATOM 1202 CH2 TRP A 76 -6.485 -0.713 3.048 1.00 0.46 C ATOM 0 H TRP A 76 -11.302 2.549 -1.535 1.00 0.59 H new ATOM 0 HA TRP A 76 -10.436 1.693 0.996 1.00 0.54 H new ATOM 0 HB2 TRP A 76 -9.202 1.504 -1.181 1.00 0.50 H new ATOM 0 HB3 TRP A 76 -8.926 3.234 -1.150 1.00 0.50 H new ATOM 0 HD1 TRP A 76 -6.619 3.877 -0.179 1.00 0.46 H new ATOM 0 HE1 TRP A 76 -4.921 2.856 1.481 1.00 0.44 H new ATOM 0 HE3 TRP A 76 -9.278 -0.279 1.155 1.00 0.46 H new ATOM 0 HZ2 TRP A 76 -4.779 0.576 3.126 1.00 0.44 H new ATOM 0 HZ3 TRP A 76 -8.298 -1.837 2.790 1.00 0.47 H new ATOM 0 HH2 TRP A 76 -6.078 -1.412 3.763 1.00 0.46 H new ATOM 1213 N ALA A 77 -10.571 4.942 0.554 1.00 0.61 N ATOM 1214 CA ALA A 77 -10.532 6.226 1.238 1.00 0.65 C ATOM 1215 C ALA A 77 -11.499 6.224 2.417 1.00 0.69 C ATOM 1216 O ALA A 77 -11.198 6.758 3.486 1.00 0.71 O ATOM 1217 CB ALA A 77 -10.867 7.351 0.267 1.00 0.70 C ATOM 0 H ALA A 77 -10.881 4.992 -0.416 1.00 0.61 H new ATOM 0 HA ALA A 77 -9.525 6.392 1.620 1.00 0.65 H new ATOM 0 HB1 ALA A 77 -10.834 8.306 0.791 1.00 0.70 H new ATOM 0 HB2 ALA A 77 -10.141 7.358 -0.546 1.00 0.70 H new ATOM 0 HB3 ALA A 77 -11.866 7.195 -0.140 1.00 0.70 H new ATOM 1223 N VAL A 78 -12.652 5.603 2.212 1.00 0.71 N ATOM 1224 CA VAL A 78 -13.664 5.502 3.251 1.00 0.75 C ATOM 1225 C VAL A 78 -13.143 4.640 4.399 1.00 0.71 C ATOM 1226 O VAL A 78 -13.270 4.999 5.570 1.00 0.75 O ATOM 1227 CB VAL A 78 -14.971 4.891 2.700 1.00 0.78 C ATOM 1228 CG1 VAL A 78 -16.057 4.883 3.763 1.00 0.83 C ATOM 1229 CG2 VAL A 78 -15.437 5.637 1.456 1.00 0.84 C ATOM 0 H VAL A 78 -12.910 5.160 1.330 1.00 0.71 H new ATOM 0 HA VAL A 78 -13.880 6.508 3.612 1.00 0.75 H new ATOM 0 HB VAL A 78 -14.767 3.858 2.419 1.00 0.78 H new ATOM 0 HG11 VAL A 78 -16.967 4.448 3.350 1.00 0.83 H new ATOM 0 HG12 VAL A 78 -15.727 4.291 4.616 1.00 0.83 H new ATOM 0 HG13 VAL A 78 -16.257 5.905 4.086 1.00 0.83 H new ATOM 0 HG21 VAL A 78 -16.359 5.188 1.087 1.00 0.84 H new ATOM 0 HG22 VAL A 78 -15.617 6.683 1.705 1.00 0.84 H new ATOM 0 HG23 VAL A 78 -14.669 5.574 0.685 1.00 0.84 H new ATOM 1239 N ALA A 79 -12.529 3.511 4.043 1.00 0.66 N ATOM 1240 CA ALA A 79 -11.975 2.588 5.026 1.00 0.63 C ATOM 1241 C ALA A 79 -10.909 3.270 5.871 1.00 0.63 C ATOM 1242 O ALA A 79 -10.834 3.057 7.083 1.00 0.66 O ATOM 1243 CB ALA A 79 -11.393 1.365 4.341 1.00 0.59 C ATOM 0 H ALA A 79 -12.404 3.215 3.075 1.00 0.66 H new ATOM 0 HA ALA A 79 -12.785 2.271 5.682 1.00 0.63 H new ATOM 0 HB1 ALA A 79 -10.984 0.688 5.091 1.00 0.59 H new ATOM 0 HB2 ALA A 79 -12.176 0.855 3.780 1.00 0.59 H new ATOM 0 HB3 ALA A 79 -10.600 1.673 3.659 1.00 0.59 H new ATOM 1249 N MET A 80 -10.098 4.103 5.226 1.00 0.63 N ATOM 1250 CA MET A 80 -9.032 4.825 5.908 1.00 0.66 C ATOM 1251 C MET A 80 -9.602 5.831 6.905 1.00 0.73 C ATOM 1252 O MET A 80 -9.127 5.929 8.038 1.00 0.79 O ATOM 1253 CB MET A 80 -8.139 5.551 4.894 1.00 0.65 C ATOM 1254 CG MET A 80 -7.044 4.681 4.291 1.00 1.08 C ATOM 1255 SD MET A 80 -5.854 5.625 3.315 1.00 1.04 S ATOM 1256 CE MET A 80 -6.901 6.273 2.017 1.00 1.02 C ATOM 0 H MET A 80 -10.161 4.295 4.226 1.00 0.63 H new ATOM 0 HA MET A 80 -8.433 4.096 6.453 1.00 0.66 H new ATOM 0 HB2 MET A 80 -8.763 5.939 4.089 1.00 0.65 H new ATOM 0 HB3 MET A 80 -7.678 6.410 5.382 1.00 0.65 H new ATOM 0 HG2 MET A 80 -6.518 4.161 5.092 1.00 1.08 H new ATOM 0 HG3 MET A 80 -7.500 3.918 3.660 1.00 1.08 H new ATOM 0 HE1 MET A 80 -6.281 6.695 1.226 1.00 1.02 H new ATOM 0 HE2 MET A 80 -7.514 5.469 1.608 1.00 1.02 H new ATOM 0 HE3 MET A 80 -7.547 7.050 2.425 1.00 1.02 H new ATOM 1266 N ALA A 81 -10.629 6.561 6.483 1.00 0.76 N ATOM 1267 CA ALA A 81 -11.255 7.565 7.336 1.00 0.84 C ATOM 1268 C ALA A 81 -11.990 6.917 8.502 1.00 0.87 C ATOM 1269 O ALA A 81 -12.105 7.496 9.582 1.00 0.99 O ATOM 1270 CB ALA A 81 -12.206 8.434 6.526 1.00 0.89 C ATOM 0 H ALA A 81 -11.045 6.476 5.556 1.00 0.76 H new ATOM 0 HA ALA A 81 -10.466 8.196 7.745 1.00 0.84 H new ATOM 0 HB1 ALA A 81 -12.664 9.178 7.178 1.00 0.89 H new ATOM 0 HB2 ALA A 81 -11.653 8.938 5.734 1.00 0.89 H new ATOM 0 HB3 ALA A 81 -12.983 7.810 6.085 1.00 0.89 H new ATOM 1276 N LEU A 82 -12.499 5.714 8.276 1.00 0.80 N ATOM 1277 CA LEU A 82 -13.213 4.981 9.308 1.00 0.82 C ATOM 1278 C LEU A 82 -12.239 4.299 10.261 1.00 0.81 C ATOM 1279 O LEU A 82 -12.430 4.314 11.479 1.00 0.88 O ATOM 1280 CB LEU A 82 -14.132 3.937 8.676 1.00 0.82 C ATOM 1281 CG LEU A 82 -15.372 4.492 7.974 1.00 0.87 C ATOM 1282 CD1 LEU A 82 -16.022 3.409 7.130 1.00 0.90 C ATOM 1283 CD2 LEU A 82 -16.363 5.046 8.990 1.00 0.97 C ATOM 0 H LEU A 82 -12.430 5.225 7.384 1.00 0.80 H new ATOM 0 HA LEU A 82 -13.814 5.693 9.874 1.00 0.82 H new ATOM 0 HB2 LEU A 82 -13.555 3.359 7.954 1.00 0.82 H new ATOM 0 HB3 LEU A 82 -14.455 3.244 9.453 1.00 0.82 H new ATOM 0 HG LEU A 82 -15.065 5.308 7.320 1.00 0.87 H new ATOM 0 HD11 LEU A 82 -16.904 3.814 6.634 1.00 0.90 H new ATOM 0 HD12 LEU A 82 -15.313 3.058 6.380 1.00 0.90 H new ATOM 0 HD13 LEU A 82 -16.316 2.577 7.769 1.00 0.90 H new ATOM 0 HD21 LEU A 82 -17.238 5.436 8.470 1.00 0.97 H new ATOM 0 HD22 LEU A 82 -16.669 4.251 9.670 1.00 0.97 H new ATOM 0 HD23 LEU A 82 -15.892 5.848 9.558 1.00 0.97 H new ATOM 1295 N GLY A 83 -11.191 3.718 9.703 1.00 0.75 N ATOM 1296 CA GLY A 83 -10.208 3.020 10.505 1.00 0.74 C ATOM 1297 C GLY A 83 -10.379 1.519 10.413 1.00 0.72 C ATOM 1298 O GLY A 83 -9.767 0.766 11.166 1.00 0.78 O ATOM 0 H GLY A 83 -11.001 3.717 8.701 1.00 0.75 H new ATOM 0 HA2 GLY A 83 -9.206 3.294 10.174 1.00 0.74 H new ATOM 0 HA3 GLY A 83 -10.297 3.334 11.545 1.00 0.74 H new ATOM 1302 N VAL A 84 -11.206 1.083 9.472 1.00 0.67 N ATOM 1303 CA VAL A 84 -11.468 -0.339 9.278 1.00 0.65 C ATOM 1304 C VAL A 84 -10.763 -0.864 8.028 1.00 0.59 C ATOM 1305 O VAL A 84 -11.200 -1.843 7.422 1.00 0.60 O ATOM 1306 CB VAL A 84 -12.982 -0.631 9.171 1.00 0.71 C ATOM 1307 CG1 VAL A 84 -13.661 -0.460 10.523 1.00 0.81 C ATOM 1308 CG2 VAL A 84 -13.637 0.262 8.128 1.00 0.73 C ATOM 0 H VAL A 84 -11.709 1.695 8.829 1.00 0.67 H new ATOM 0 HA VAL A 84 -11.074 -0.853 10.155 1.00 0.65 H new ATOM 0 HB VAL A 84 -13.102 -1.667 8.854 1.00 0.71 H new ATOM 0 HG11 VAL A 84 -14.726 -0.670 10.425 1.00 0.81 H new ATOM 0 HG12 VAL A 84 -13.220 -1.150 11.242 1.00 0.81 H new ATOM 0 HG13 VAL A 84 -13.524 0.563 10.872 1.00 0.81 H new ATOM 0 HG21 VAL A 84 -14.702 0.036 8.073 1.00 0.73 H new ATOM 0 HG22 VAL A 84 -13.502 1.307 8.407 1.00 0.73 H new ATOM 0 HG23 VAL A 84 -13.177 0.084 7.156 1.00 0.73 H new ATOM 1318 N GLU A 85 -9.659 -0.222 7.667 1.00 0.58 N ATOM 1319 CA GLU A 85 -8.887 -0.610 6.488 1.00 0.55 C ATOM 1320 C GLU A 85 -8.350 -2.025 6.652 1.00 0.53 C ATOM 1321 O GLU A 85 -8.562 -2.882 5.792 1.00 0.56 O ATOM 1322 CB GLU A 85 -7.730 0.372 6.234 1.00 0.63 C ATOM 1323 CG GLU A 85 -7.671 1.541 7.208 1.00 0.81 C ATOM 1324 CD GLU A 85 -6.955 1.209 8.503 1.00 1.11 C ATOM 1325 OE1 GLU A 85 -7.224 0.135 9.080 1.00 1.71 O ATOM 1326 OE2 GLU A 85 -6.136 2.033 8.959 1.00 1.67 O1- ATOM 0 H GLU A 85 -9.275 0.574 8.175 1.00 0.58 H new ATOM 0 HA GLU A 85 -9.551 -0.580 5.624 1.00 0.55 H new ATOM 0 HB2 GLU A 85 -6.788 -0.175 6.284 1.00 0.63 H new ATOM 0 HB3 GLU A 85 -7.818 0.764 5.221 1.00 0.63 H new ATOM 0 HG2 GLU A 85 -7.167 2.380 6.728 1.00 0.81 H new ATOM 0 HG3 GLU A 85 -8.686 1.867 7.436 1.00 0.81 H new ATOM 1333 N ASP A 86 -7.675 -2.266 7.769 1.00 0.57 N ATOM 1334 CA ASP A 86 -7.117 -3.585 8.064 1.00 0.62 C ATOM 1335 C ASP A 86 -8.237 -4.615 8.198 1.00 0.64 C ATOM 1336 O ASP A 86 -8.101 -5.771 7.792 1.00 0.87 O ATOM 1337 CB ASP A 86 -6.287 -3.534 9.354 1.00 0.74 C ATOM 1338 CG ASP A 86 -6.170 -4.886 10.041 1.00 1.12 C ATOM 1339 OD1 ASP A 86 -7.036 -5.202 10.889 1.00 1.91 O ATOM 1340 OD2 ASP A 86 -5.203 -5.627 9.761 1.00 1.75 O1- ATOM 0 H ASP A 86 -7.499 -1.565 8.489 1.00 0.57 H new ATOM 0 HA ASP A 86 -6.467 -3.881 7.241 1.00 0.62 H new ATOM 0 HB2 ASP A 86 -5.289 -3.163 9.122 1.00 0.74 H new ATOM 0 HB3 ASP A 86 -6.740 -2.821 10.043 1.00 0.74 H new ATOM 1345 N LYS A 87 -9.364 -4.161 8.731 1.00 0.59 N ATOM 1346 CA LYS A 87 -10.524 -5.017 8.941 1.00 0.63 C ATOM 1347 C LYS A 87 -11.070 -5.551 7.620 1.00 0.60 C ATOM 1348 O LYS A 87 -11.552 -6.680 7.551 1.00 0.67 O ATOM 1349 CB LYS A 87 -11.620 -4.248 9.685 1.00 0.70 C ATOM 1350 CG LYS A 87 -11.161 -3.639 11.006 1.00 0.79 C ATOM 1351 CD LYS A 87 -10.993 -4.697 12.086 1.00 1.48 C ATOM 1352 CE LYS A 87 -12.338 -5.200 12.586 1.00 1.85 C ATOM 1353 NZ LYS A 87 -12.188 -6.232 13.644 1.00 2.28 N1+ ATOM 0 H LYS A 87 -9.499 -3.195 9.028 1.00 0.59 H new ATOM 0 HA LYS A 87 -10.205 -5.867 9.544 1.00 0.63 H new ATOM 0 HB2 LYS A 87 -11.994 -3.453 9.040 1.00 0.70 H new ATOM 0 HB3 LYS A 87 -12.455 -4.921 9.878 1.00 0.70 H new ATOM 0 HG2 LYS A 87 -10.215 -3.118 10.857 1.00 0.79 H new ATOM 0 HG3 LYS A 87 -11.887 -2.895 11.335 1.00 0.79 H new ATOM 0 HD2 LYS A 87 -10.414 -5.532 11.692 1.00 1.48 H new ATOM 0 HD3 LYS A 87 -10.426 -4.282 12.919 1.00 1.48 H new ATOM 0 HE2 LYS A 87 -12.916 -4.362 12.976 1.00 1.85 H new ATOM 0 HE3 LYS A 87 -12.903 -5.616 11.751 1.00 1.85 H new ATOM 0 HZ1 LYS A 87 -13.128 -6.548 13.957 1.00 2.28 H new ATOM 0 HZ2 LYS A 87 -11.659 -7.043 13.265 1.00 2.28 H new ATOM 0 HZ3 LYS A 87 -11.672 -5.829 14.452 1.00 2.28 H new ATOM 1367 N VAL A 88 -10.976 -4.747 6.570 1.00 0.56 N ATOM 1368 CA VAL A 88 -11.486 -5.152 5.271 1.00 0.55 C ATOM 1369 C VAL A 88 -10.367 -5.507 4.289 1.00 0.50 C ATOM 1370 O VAL A 88 -10.624 -5.712 3.106 1.00 0.50 O ATOM 1371 CB VAL A 88 -12.374 -4.051 4.647 1.00 0.58 C ATOM 1372 CG1 VAL A 88 -13.563 -3.734 5.543 1.00 0.65 C ATOM 1373 CG2 VAL A 88 -11.565 -2.790 4.364 1.00 0.56 C ATOM 0 H VAL A 88 -10.555 -3.818 6.593 1.00 0.56 H new ATOM 0 HA VAL A 88 -12.084 -6.046 5.449 1.00 0.55 H new ATOM 0 HB VAL A 88 -12.755 -4.431 3.699 1.00 0.58 H new ATOM 0 HG11 VAL A 88 -14.171 -2.956 5.080 1.00 0.65 H new ATOM 0 HG12 VAL A 88 -14.165 -4.632 5.679 1.00 0.65 H new ATOM 0 HG13 VAL A 88 -13.206 -3.386 6.512 1.00 0.65 H new ATOM 0 HG21 VAL A 88 -12.214 -2.032 3.925 1.00 0.56 H new ATOM 0 HG22 VAL A 88 -11.143 -2.412 5.295 1.00 0.56 H new ATOM 0 HG23 VAL A 88 -10.759 -3.023 3.669 1.00 0.56 H new ATOM 1383 N THR A 89 -9.136 -5.613 4.774 1.00 0.48 N ATOM 1384 CA THR A 89 -8.003 -5.931 3.905 1.00 0.44 C ATOM 1385 C THR A 89 -8.138 -7.327 3.289 1.00 0.43 C ATOM 1386 O THR A 89 -8.089 -7.485 2.068 1.00 0.44 O ATOM 1387 CB THR A 89 -6.659 -5.840 4.660 1.00 0.45 C ATOM 1388 OG1 THR A 89 -6.512 -4.541 5.247 1.00 0.98 O ATOM 1389 CG2 THR A 89 -5.481 -6.108 3.727 1.00 0.79 C ATOM 0 H THR A 89 -8.895 -5.485 5.757 1.00 0.48 H new ATOM 0 HA THR A 89 -8.012 -5.188 3.108 1.00 0.44 H new ATOM 0 HB THR A 89 -6.663 -6.600 5.441 1.00 0.45 H new ATOM 0 HG1 THR A 89 -7.348 -4.039 5.145 1.00 0.98 H new ATOM 0 HG21 THR A 89 -4.549 -6.037 4.288 1.00 0.79 H new ATOM 0 HG22 THR A 89 -5.573 -7.108 3.302 1.00 0.79 H new ATOM 0 HG23 THR A 89 -5.478 -5.371 2.924 1.00 0.79 H new ATOM 1397 N VAL A 90 -8.332 -8.332 4.135 1.00 0.46 N ATOM 1398 CA VAL A 90 -8.456 -9.713 3.671 1.00 0.49 C ATOM 1399 C VAL A 90 -9.692 -9.927 2.781 1.00 0.50 C ATOM 1400 O VAL A 90 -9.551 -10.391 1.650 1.00 0.52 O ATOM 1401 CB VAL A 90 -8.478 -10.705 4.855 1.00 0.54 C ATOM 1402 CG1 VAL A 90 -8.563 -12.141 4.356 1.00 0.62 C ATOM 1403 CG2 VAL A 90 -7.248 -10.508 5.729 1.00 0.57 C ATOM 0 H VAL A 90 -8.407 -8.219 5.146 1.00 0.46 H new ATOM 0 HA VAL A 90 -7.573 -9.910 3.063 1.00 0.49 H new ATOM 0 HB VAL A 90 -9.365 -10.507 5.456 1.00 0.54 H new ATOM 0 HG11 VAL A 90 -8.577 -12.822 5.207 1.00 0.62 H new ATOM 0 HG12 VAL A 90 -9.475 -12.270 3.773 1.00 0.62 H new ATOM 0 HG13 VAL A 90 -7.698 -12.361 3.730 1.00 0.62 H new ATOM 0 HG21 VAL A 90 -7.275 -11.213 6.560 1.00 0.57 H new ATOM 0 HG22 VAL A 90 -6.349 -10.680 5.137 1.00 0.57 H new ATOM 0 HG23 VAL A 90 -7.237 -9.490 6.117 1.00 0.57 H new ATOM 1413 N PRO A 91 -10.916 -9.582 3.249 1.00 0.53 N ATOM 1414 CA PRO A 91 -12.143 -9.778 2.461 1.00 0.57 C ATOM 1415 C PRO A 91 -12.095 -9.120 1.081 1.00 0.57 C ATOM 1416 O PRO A 91 -12.600 -9.679 0.110 1.00 0.61 O ATOM 1417 CB PRO A 91 -13.244 -9.141 3.320 1.00 0.60 C ATOM 1418 CG PRO A 91 -12.536 -8.325 4.343 1.00 0.58 C ATOM 1419 CD PRO A 91 -11.215 -8.997 4.566 1.00 0.54 C ATOM 0 HA PRO A 91 -12.303 -10.836 2.252 1.00 0.57 H new ATOM 0 HB2 PRO A 91 -13.904 -8.521 2.713 1.00 0.60 H new ATOM 0 HB3 PRO A 91 -13.865 -9.904 3.789 1.00 0.60 H new ATOM 0 HG2 PRO A 91 -12.399 -7.300 3.998 1.00 0.58 H new ATOM 0 HG3 PRO A 91 -13.110 -8.276 5.268 1.00 0.58 H new ATOM 0 HD2 PRO A 91 -10.448 -8.287 4.876 1.00 0.54 H new ATOM 0 HD3 PRO A 91 -11.276 -9.760 5.342 1.00 0.54 H new ATOM 1427 N LEU A 92 -11.481 -7.946 0.989 1.00 0.54 N ATOM 1428 CA LEU A 92 -11.392 -7.239 -0.288 1.00 0.55 C ATOM 1429 C LEU A 92 -10.423 -7.945 -1.226 1.00 0.54 C ATOM 1430 O LEU A 92 -10.604 -7.931 -2.440 1.00 0.59 O ATOM 1431 CB LEU A 92 -10.960 -5.786 -0.081 1.00 0.54 C ATOM 1432 CG LEU A 92 -12.064 -4.838 0.394 1.00 0.61 C ATOM 1433 CD1 LEU A 92 -11.500 -3.452 0.659 1.00 0.60 C ATOM 1434 CD2 LEU A 92 -13.190 -4.769 -0.628 1.00 0.79 C ATOM 0 H LEU A 92 -11.041 -7.465 1.774 1.00 0.54 H new ATOM 0 HA LEU A 92 -12.383 -7.242 -0.741 1.00 0.55 H new ATOM 0 HB2 LEU A 92 -10.148 -5.765 0.646 1.00 0.54 H new ATOM 0 HB3 LEU A 92 -10.557 -5.407 -1.020 1.00 0.54 H new ATOM 0 HG LEU A 92 -12.471 -5.229 1.327 1.00 0.61 H new ATOM 0 HD11 LEU A 92 -12.300 -2.792 0.996 1.00 0.60 H new ATOM 0 HD12 LEU A 92 -10.731 -3.513 1.429 1.00 0.60 H new ATOM 0 HD13 LEU A 92 -11.064 -3.055 -0.258 1.00 0.60 H new ATOM 0 HD21 LEU A 92 -13.964 -4.090 -0.271 1.00 0.79 H new ATOM 0 HD22 LEU A 92 -12.798 -4.405 -1.578 1.00 0.79 H new ATOM 0 HD23 LEU A 92 -13.615 -5.763 -0.768 1.00 0.79 H new ATOM 1446 N PHE A 93 -9.393 -8.557 -0.661 1.00 0.48 N ATOM 1447 CA PHE A 93 -8.410 -9.277 -1.456 1.00 0.48 C ATOM 1448 C PHE A 93 -8.983 -10.609 -1.934 1.00 0.54 C ATOM 1449 O PHE A 93 -8.988 -10.912 -3.131 1.00 0.58 O ATOM 1450 CB PHE A 93 -7.137 -9.532 -0.644 1.00 0.44 C ATOM 1451 CG PHE A 93 -5.995 -8.630 -1.008 1.00 0.41 C ATOM 1452 CD1 PHE A 93 -5.535 -8.566 -2.311 1.00 0.44 C ATOM 1453 CD2 PHE A 93 -5.379 -7.848 -0.043 1.00 0.42 C ATOM 1454 CE1 PHE A 93 -4.484 -7.738 -2.648 1.00 0.44 C ATOM 1455 CE2 PHE A 93 -4.327 -7.017 -0.374 1.00 0.43 C ATOM 1456 CZ PHE A 93 -3.880 -6.960 -1.678 1.00 0.41 C ATOM 0 H PHE A 93 -9.216 -8.569 0.344 1.00 0.48 H new ATOM 0 HA PHE A 93 -8.161 -8.661 -2.320 1.00 0.48 H new ATOM 0 HB2 PHE A 93 -7.362 -9.408 0.415 1.00 0.44 H new ATOM 0 HB3 PHE A 93 -6.829 -10.568 -0.785 1.00 0.44 H new ATOM 0 HD1 PHE A 93 -6.004 -9.171 -3.073 1.00 0.44 H new ATOM 0 HD2 PHE A 93 -5.726 -7.889 0.979 1.00 0.42 H new ATOM 0 HE1 PHE A 93 -4.134 -7.698 -3.669 1.00 0.44 H new ATOM 0 HE2 PHE A 93 -3.855 -6.413 0.387 1.00 0.43 H new ATOM 0 HZ PHE A 93 -3.060 -6.309 -1.941 1.00 0.41 H new ATOM 1466 N GLU A 94 -9.484 -11.393 -0.991 1.00 0.55 N ATOM 1467 CA GLU A 94 -10.053 -12.697 -1.297 1.00 0.62 C ATOM 1468 C GLU A 94 -11.293 -12.559 -2.171 1.00 0.66 C ATOM 1469 O GLU A 94 -11.482 -13.321 -3.116 1.00 0.72 O ATOM 1470 CB GLU A 94 -10.413 -13.433 -0.003 1.00 0.66 C ATOM 1471 CG GLU A 94 -9.289 -13.455 1.020 1.00 0.66 C ATOM 1472 CD GLU A 94 -8.544 -14.769 1.054 1.00 0.93 C ATOM 1473 OE1 GLU A 94 -7.648 -14.979 0.211 1.00 1.70 O ATOM 1474 OE2 GLU A 94 -8.852 -15.609 1.927 1.00 1.46 O1- ATOM 0 H GLU A 94 -9.508 -11.147 -0.001 1.00 0.55 H new ATOM 0 HA GLU A 94 -9.306 -13.272 -1.844 1.00 0.62 H new ATOM 0 HB2 GLU A 94 -11.288 -12.960 0.442 1.00 0.66 H new ATOM 0 HB3 GLU A 94 -10.693 -14.458 -0.244 1.00 0.66 H new ATOM 0 HG2 GLU A 94 -8.587 -12.652 0.797 1.00 0.66 H new ATOM 0 HG3 GLU A 94 -9.701 -13.252 2.008 1.00 0.66 H new ATOM 1481 N GLY A 95 -12.110 -11.553 -1.877 1.00 0.66 N ATOM 1482 CA GLY A 95 -13.338 -11.339 -2.619 1.00 0.71 C ATOM 1483 C GLY A 95 -13.113 -10.839 -4.033 1.00 0.73 C ATOM 1484 O GLY A 95 -14.062 -10.727 -4.805 1.00 0.82 O ATOM 0 H GLY A 95 -11.941 -10.877 -1.132 1.00 0.66 H new ATOM 0 HA2 GLY A 95 -13.897 -12.274 -2.658 1.00 0.71 H new ATOM 0 HA3 GLY A 95 -13.957 -10.620 -2.082 1.00 0.71 H new ATOM 1488 N VAL A 96 -11.872 -10.535 -4.384 1.00 0.66 N ATOM 1489 CA VAL A 96 -11.576 -10.052 -5.727 1.00 0.67 C ATOM 1490 C VAL A 96 -10.804 -11.086 -6.544 1.00 0.69 C ATOM 1491 O VAL A 96 -11.080 -11.280 -7.728 1.00 0.75 O ATOM 1492 CB VAL A 96 -10.794 -8.713 -5.701 1.00 0.63 C ATOM 1493 CG1 VAL A 96 -10.144 -8.418 -7.051 1.00 0.67 C ATOM 1494 CG2 VAL A 96 -11.719 -7.572 -5.307 1.00 0.65 C ATOM 0 H VAL A 96 -11.063 -10.612 -3.768 1.00 0.66 H new ATOM 0 HA VAL A 96 -12.539 -9.879 -6.208 1.00 0.67 H new ATOM 0 HB VAL A 96 -10.000 -8.805 -4.960 1.00 0.63 H new ATOM 0 HG11 VAL A 96 -9.605 -7.472 -6.996 1.00 0.67 H new ATOM 0 HG12 VAL A 96 -9.448 -9.219 -7.303 1.00 0.67 H new ATOM 0 HG13 VAL A 96 -10.915 -8.352 -7.819 1.00 0.67 H new ATOM 0 HG21 VAL A 96 -11.158 -6.637 -5.292 1.00 0.65 H new ATOM 0 HG22 VAL A 96 -12.532 -7.496 -6.030 1.00 0.65 H new ATOM 0 HG23 VAL A 96 -12.131 -7.763 -4.316 1.00 0.65 H new ATOM 1504 N GLN A 97 -9.857 -11.763 -5.912 1.00 0.66 N ATOM 1505 CA GLN A 97 -9.042 -12.749 -6.613 1.00 0.68 C ATOM 1506 C GLN A 97 -9.527 -14.185 -6.403 1.00 0.75 C ATOM 1507 O GLN A 97 -9.681 -14.938 -7.366 1.00 0.84 O ATOM 1508 CB GLN A 97 -7.588 -12.629 -6.162 1.00 0.63 C ATOM 1509 CG GLN A 97 -6.960 -11.290 -6.503 1.00 0.62 C ATOM 1510 CD GLN A 97 -5.554 -11.146 -5.961 1.00 0.59 C ATOM 1511 OE1 GLN A 97 -4.811 -12.121 -5.855 1.00 0.66 O ATOM 1512 NE2 GLN A 97 -5.180 -9.929 -5.607 1.00 0.55 N ATOM 0 H GLN A 97 -9.633 -11.651 -4.923 1.00 0.66 H new ATOM 0 HA GLN A 97 -9.131 -12.534 -7.678 1.00 0.68 H new ATOM 0 HB2 GLN A 97 -7.536 -12.783 -5.084 1.00 0.63 H new ATOM 0 HB3 GLN A 97 -7.005 -13.424 -6.626 1.00 0.63 H new ATOM 0 HG2 GLN A 97 -6.941 -11.168 -7.586 1.00 0.62 H new ATOM 0 HG3 GLN A 97 -7.582 -10.490 -6.103 1.00 0.62 H new ATOM 0 HE21 GLN A 97 -5.826 -9.147 -5.711 1.00 0.55 H new ATOM 0 HE22 GLN A 97 -4.245 -9.772 -5.230 1.00 0.55 H new ATOM 1521 N LYS A 98 -9.778 -14.562 -5.154 1.00 0.74 N ATOM 1522 CA LYS A 98 -10.204 -15.923 -4.846 1.00 0.81 C ATOM 1523 C LYS A 98 -11.685 -16.134 -5.146 1.00 0.88 C ATOM 1524 O LYS A 98 -12.035 -16.833 -6.098 1.00 1.03 O ATOM 1525 CB LYS A 98 -9.902 -16.265 -3.382 1.00 0.76 C ATOM 1526 CG LYS A 98 -9.805 -17.761 -3.111 1.00 0.88 C ATOM 1527 CD LYS A 98 -8.884 -18.065 -1.936 1.00 1.03 C ATOM 1528 CE LYS A 98 -9.517 -17.677 -0.610 1.00 1.34 C ATOM 1529 NZ LYS A 98 -8.570 -17.835 0.525 1.00 1.41 N1+ ATOM 0 H LYS A 98 -9.695 -13.949 -4.343 1.00 0.74 H new ATOM 0 HA LYS A 98 -9.637 -16.596 -5.490 1.00 0.81 H new ATOM 0 HB2 LYS A 98 -8.964 -15.791 -3.093 1.00 0.76 H new ATOM 0 HB3 LYS A 98 -10.682 -15.840 -2.750 1.00 0.76 H new ATOM 0 HG2 LYS A 98 -10.799 -18.158 -2.906 1.00 0.88 H new ATOM 0 HG3 LYS A 98 -9.437 -18.269 -4.002 1.00 0.88 H new ATOM 0 HD2 LYS A 98 -8.644 -19.128 -1.927 1.00 1.03 H new ATOM 0 HD3 LYS A 98 -7.944 -17.527 -2.062 1.00 1.03 H new ATOM 0 HE2 LYS A 98 -9.856 -16.642 -0.659 1.00 1.34 H new ATOM 0 HE3 LYS A 98 -10.399 -18.293 -0.435 1.00 1.34 H new ATOM 0 HZ1 LYS A 98 -8.876 -17.237 1.319 1.00 1.41 H new ATOM 0 HZ2 LYS A 98 -8.554 -18.830 0.828 1.00 1.41 H new ATOM 0 HZ3 LYS A 98 -7.617 -17.549 0.224 1.00 1.41 H new ATOM 1543 N THR A 99 -12.548 -15.523 -4.346 1.00 0.82 N ATOM 1544 CA THR A 99 -13.985 -15.666 -4.515 1.00 0.94 C ATOM 1545 C THR A 99 -14.482 -14.908 -5.742 1.00 0.98 C ATOM 1546 O THR A 99 -15.410 -15.353 -6.420 1.00 1.08 O ATOM 1547 CB THR A 99 -14.728 -15.152 -3.272 1.00 0.96 C ATOM 1548 OG1 THR A 99 -13.794 -14.951 -2.203 1.00 0.95 O ATOM 1549 CG2 THR A 99 -15.806 -16.132 -2.837 1.00 1.31 C ATOM 0 H THR A 99 -12.274 -14.921 -3.570 1.00 0.82 H new ATOM 0 HA THR A 99 -14.189 -16.728 -4.653 1.00 0.94 H new ATOM 0 HB THR A 99 -15.208 -14.206 -3.523 1.00 0.96 H new ATOM 0 HG1 THR A 99 -14.269 -14.622 -1.411 1.00 0.95 H new ATOM 0 HG21 THR A 99 -16.316 -15.744 -1.955 1.00 1.31 H new ATOM 0 HG22 THR A 99 -16.526 -16.263 -3.645 1.00 1.31 H new ATOM 0 HG23 THR A 99 -15.350 -17.093 -2.598 1.00 1.31 H new ATOM 1557 N GLN A 100 -13.854 -13.762 -6.017 1.00 0.90 N ATOM 1558 CA GLN A 100 -14.223 -12.913 -7.153 1.00 0.94 C ATOM 1559 C GLN A 100 -15.685 -12.485 -7.045 1.00 1.01 C ATOM 1560 O GLN A 100 -16.385 -12.348 -8.048 1.00 1.10 O ATOM 1561 CB GLN A 100 -13.975 -13.637 -8.482 1.00 1.01 C ATOM 1562 CG GLN A 100 -12.517 -14.010 -8.715 1.00 0.99 C ATOM 1563 CD GLN A 100 -12.282 -14.657 -10.064 1.00 1.15 C ATOM 1564 OE1 GLN A 100 -12.979 -14.373 -11.039 1.00 1.41 O ATOM 1565 NE2 GLN A 100 -11.289 -15.528 -10.128 1.00 1.44 N ATOM 0 H GLN A 100 -13.080 -13.398 -5.462 1.00 0.90 H new ATOM 0 HA GLN A 100 -13.595 -12.022 -7.129 1.00 0.94 H new ATOM 0 HB2 GLN A 100 -14.581 -14.542 -8.511 1.00 1.01 H new ATOM 0 HB3 GLN A 100 -14.313 -13.001 -9.300 1.00 1.01 H new ATOM 0 HG2 GLN A 100 -11.901 -13.114 -8.635 1.00 0.99 H new ATOM 0 HG3 GLN A 100 -12.192 -14.692 -7.929 1.00 0.99 H new ATOM 0 HE21 GLN A 100 -10.737 -15.734 -9.296 1.00 1.44 H new ATOM 0 HE22 GLN A 100 -11.075 -15.994 -11.010 1.00 1.44 H new ATOM 1574 N THR A 101 -16.130 -12.279 -5.818 1.00 1.00 N ATOM 1575 CA THR A 101 -17.489 -11.866 -5.551 1.00 1.08 C ATOM 1576 C THR A 101 -17.657 -10.371 -5.776 1.00 1.03 C ATOM 1577 O THR A 101 -18.745 -9.897 -6.088 1.00 1.12 O ATOM 1578 CB THR A 101 -17.876 -12.210 -4.104 1.00 1.14 C ATOM 1579 OG1 THR A 101 -16.706 -12.591 -3.365 1.00 1.20 O ATOM 1580 CG2 THR A 101 -18.884 -13.342 -4.065 1.00 1.57 C ATOM 0 H THR A 101 -15.557 -12.394 -4.982 1.00 1.00 H new ATOM 0 HA THR A 101 -18.143 -12.401 -6.240 1.00 1.08 H new ATOM 0 HB THR A 101 -18.327 -11.326 -3.654 1.00 1.14 H new ATOM 0 HG1 THR A 101 -16.958 -12.808 -2.443 1.00 1.20 H new ATOM 0 HG21 THR A 101 -19.141 -13.565 -3.029 1.00 1.57 H new ATOM 0 HG22 THR A 101 -19.783 -13.047 -4.606 1.00 1.57 H new ATOM 0 HG23 THR A 101 -18.454 -14.228 -4.531 1.00 1.57 H new ATOM 1588 N ILE A 102 -16.569 -9.634 -5.627 1.00 0.91 N ATOM 1589 CA ILE A 102 -16.595 -8.194 -5.811 1.00 0.88 C ATOM 1590 C ILE A 102 -16.368 -7.841 -7.277 1.00 0.87 C ATOM 1591 O ILE A 102 -15.236 -7.871 -7.770 1.00 0.83 O ATOM 1592 CB ILE A 102 -15.532 -7.500 -4.932 1.00 0.83 C ATOM 1593 CG1 ILE A 102 -15.795 -7.799 -3.452 1.00 0.86 C ATOM 1594 CG2 ILE A 102 -15.520 -5.999 -5.182 1.00 0.84 C ATOM 1595 CD1 ILE A 102 -14.617 -7.510 -2.549 1.00 0.79 C ATOM 0 H ILE A 102 -15.655 -10.011 -5.378 1.00 0.91 H new ATOM 0 HA ILE A 102 -17.578 -7.837 -5.506 1.00 0.88 H new ATOM 0 HB ILE A 102 -14.551 -7.893 -5.199 1.00 0.83 H new ATOM 0 HG12 ILE A 102 -16.649 -7.209 -3.119 1.00 0.86 H new ATOM 0 HG13 ILE A 102 -16.072 -8.848 -3.347 1.00 0.86 H new ATOM 0 HG21 ILE A 102 -14.764 -5.531 -4.552 1.00 0.84 H new ATOM 0 HG22 ILE A 102 -15.289 -5.806 -6.230 1.00 0.84 H new ATOM 0 HG23 ILE A 102 -16.499 -5.583 -4.944 1.00 0.84 H new ATOM 0 HD11 ILE A 102 -14.882 -7.747 -1.519 1.00 0.79 H new ATOM 0 HD12 ILE A 102 -13.766 -8.119 -2.854 1.00 0.79 H new ATOM 0 HD13 ILE A 102 -14.353 -6.455 -2.622 1.00 0.79 H new ATOM 1607 N ARG A 103 -17.455 -7.542 -7.983 1.00 0.93 N ATOM 1608 CA ARG A 103 -17.377 -7.183 -9.398 1.00 0.95 C ATOM 1609 C ARG A 103 -18.055 -5.837 -9.642 1.00 0.96 C ATOM 1610 O ARG A 103 -17.911 -5.242 -10.712 1.00 0.99 O ATOM 1611 CB ARG A 103 -18.036 -8.256 -10.280 1.00 1.07 C ATOM 1612 CG ARG A 103 -17.585 -9.683 -9.991 1.00 1.12 C ATOM 1613 CD ARG A 103 -16.070 -9.824 -10.041 1.00 1.44 C ATOM 1614 NE ARG A 103 -15.521 -9.504 -11.358 1.00 1.88 N ATOM 1615 CZ ARG A 103 -14.534 -8.632 -11.570 1.00 2.52 C ATOM 1616 NH1 ARG A 103 -14.010 -7.939 -10.561 1.00 2.97 N1+ ATOM 1617 NH2 ARG A 103 -14.082 -8.435 -12.800 1.00 3.22 N ATOM 0 H ARG A 103 -18.400 -7.541 -7.600 1.00 0.93 H new ATOM 0 HA ARG A 103 -16.323 -7.113 -9.665 1.00 0.95 H new ATOM 0 HB2 ARG A 103 -19.117 -8.198 -10.152 1.00 1.07 H new ATOM 0 HB3 ARG A 103 -17.826 -8.028 -11.325 1.00 1.07 H new ATOM 0 HG2 ARG A 103 -17.945 -9.985 -9.007 1.00 1.12 H new ATOM 0 HG3 ARG A 103 -18.036 -10.360 -10.717 1.00 1.12 H new ATOM 0 HD2 ARG A 103 -15.622 -9.167 -9.295 1.00 1.44 H new ATOM 0 HD3 ARG A 103 -15.794 -10.844 -9.774 1.00 1.44 H new ATOM 0 HE ARG A 103 -15.919 -9.979 -12.168 1.00 1.88 H new ATOM 0 HH11 ARG A 103 -14.363 -8.072 -9.613 1.00 2.97 H new ATOM 0 HH12 ARG A 103 -13.256 -7.275 -10.736 1.00 2.97 H new ATOM 0 HH21 ARG A 103 -14.489 -8.949 -13.581 1.00 3.22 H new ATOM 0 HH22 ARG A 103 -13.327 -7.769 -12.965 1.00 3.22 H new ATOM 1631 N SER A 104 -18.791 -5.368 -8.640 1.00 0.97 N ATOM 1632 CA SER A 104 -19.502 -4.098 -8.721 1.00 1.01 C ATOM 1633 C SER A 104 -19.403 -3.343 -7.394 1.00 0.98 C ATOM 1634 O SER A 104 -18.982 -3.908 -6.381 1.00 0.94 O ATOM 1635 CB SER A 104 -20.969 -4.354 -9.079 1.00 1.13 C ATOM 1636 OG SER A 104 -21.494 -5.443 -8.332 1.00 1.51 O ATOM 0 H SER A 104 -18.911 -5.856 -7.752 1.00 0.97 H new ATOM 0 HA SER A 104 -19.045 -3.484 -9.497 1.00 1.01 H new ATOM 0 HB2 SER A 104 -21.557 -3.457 -8.883 1.00 1.13 H new ATOM 0 HB3 SER A 104 -21.055 -4.565 -10.145 1.00 1.13 H new ATOM 0 HG SER A 104 -20.807 -5.783 -7.722 1.00 1.51 H new ATOM 1642 N ALA A 105 -19.798 -2.070 -7.401 1.00 1.02 N ATOM 1643 CA ALA A 105 -19.758 -1.240 -6.201 1.00 1.02 C ATOM 1644 C ALA A 105 -20.698 -1.782 -5.131 1.00 1.05 C ATOM 1645 O ALA A 105 -20.477 -1.586 -3.935 1.00 1.03 O ATOM 1646 CB ALA A 105 -20.118 0.202 -6.537 1.00 1.08 C ATOM 0 H ALA A 105 -20.151 -1.591 -8.230 1.00 1.02 H new ATOM 0 HA ALA A 105 -18.742 -1.265 -5.808 1.00 1.02 H new ATOM 0 HB1 ALA A 105 -20.083 0.806 -5.631 1.00 1.08 H new ATOM 0 HB2 ALA A 105 -19.406 0.595 -7.263 1.00 1.08 H new ATOM 0 HB3 ALA A 105 -21.123 0.237 -6.958 1.00 1.08 H new ATOM 1652 N SER A 106 -21.742 -2.476 -5.572 1.00 1.12 N ATOM 1653 CA SER A 106 -22.719 -3.064 -4.668 1.00 1.17 C ATOM 1654 C SER A 106 -22.062 -4.112 -3.774 1.00 1.09 C ATOM 1655 O SER A 106 -22.464 -4.307 -2.626 1.00 1.09 O ATOM 1656 CB SER A 106 -23.849 -3.702 -5.477 1.00 1.28 C ATOM 1657 OG SER A 106 -24.268 -2.847 -6.529 1.00 1.43 O ATOM 0 H SER A 106 -21.932 -2.645 -6.560 1.00 1.12 H new ATOM 0 HA SER A 106 -23.127 -2.277 -4.033 1.00 1.17 H new ATOM 0 HB2 SER A 106 -23.513 -4.654 -5.889 1.00 1.28 H new ATOM 0 HB3 SER A 106 -24.693 -3.918 -4.822 1.00 1.28 H new ATOM 0 HG SER A 106 -24.990 -3.278 -7.033 1.00 1.43 H new ATOM 1663 N ASP A 107 -21.041 -4.777 -4.304 1.00 1.05 N ATOM 1664 CA ASP A 107 -20.324 -5.799 -3.552 1.00 0.99 C ATOM 1665 C ASP A 107 -19.441 -5.138 -2.503 1.00 0.91 C ATOM 1666 O ASP A 107 -19.404 -5.558 -1.348 1.00 0.89 O ATOM 1667 CB ASP A 107 -19.465 -6.664 -4.480 1.00 0.97 C ATOM 1668 CG ASP A 107 -20.239 -7.230 -5.655 1.00 1.25 C ATOM 1669 OD1 ASP A 107 -21.240 -7.943 -5.434 1.00 1.56 O1- ATOM 1670 OD2 ASP A 107 -19.846 -6.956 -6.811 1.00 1.89 O ATOM 0 H ASP A 107 -20.692 -4.626 -5.251 1.00 1.05 H new ATOM 0 HA ASP A 107 -21.056 -6.443 -3.064 1.00 0.99 H new ATOM 0 HB2 ASP A 107 -18.633 -6.068 -4.855 1.00 0.97 H new ATOM 0 HB3 ASP A 107 -19.036 -7.485 -3.906 1.00 0.97 H new ATOM 1675 N ILE A 108 -18.743 -4.082 -2.915 1.00 0.90 N ATOM 1676 CA ILE A 108 -17.859 -3.342 -2.019 1.00 0.84 C ATOM 1677 C ILE A 108 -18.664 -2.717 -0.887 1.00 0.86 C ATOM 1678 O ILE A 108 -18.254 -2.744 0.275 1.00 0.83 O ATOM 1679 CB ILE A 108 -17.078 -2.231 -2.756 1.00 0.85 C ATOM 1680 CG1 ILE A 108 -16.689 -2.689 -4.167 1.00 0.86 C ATOM 1681 CG2 ILE A 108 -15.838 -1.859 -1.957 1.00 0.80 C ATOM 1682 CD1 ILE A 108 -15.889 -1.668 -4.943 1.00 0.90 C ATOM 0 H ILE A 108 -18.773 -3.719 -3.868 1.00 0.90 H new ATOM 0 HA ILE A 108 -17.138 -4.056 -1.621 1.00 0.84 H new ATOM 0 HB ILE A 108 -17.717 -1.353 -2.849 1.00 0.85 H new ATOM 0 HG12 ILE A 108 -16.110 -3.610 -4.093 1.00 0.86 H new ATOM 0 HG13 ILE A 108 -17.595 -2.926 -4.724 1.00 0.86 H new ATOM 0 HG21 ILE A 108 -15.290 -1.075 -2.480 1.00 0.80 H new ATOM 0 HG22 ILE A 108 -16.134 -1.499 -0.972 1.00 0.80 H new ATOM 0 HG23 ILE A 108 -15.200 -2.736 -1.846 1.00 0.80 H new ATOM 0 HD11 ILE A 108 -15.652 -2.065 -5.930 1.00 0.90 H new ATOM 0 HD12 ILE A 108 -16.473 -0.754 -5.050 1.00 0.90 H new ATOM 0 HD13 ILE A 108 -14.965 -1.448 -4.409 1.00 0.90 H new ATOM 1694 N ARG A 109 -19.823 -2.168 -1.239 1.00 0.91 N ATOM 1695 CA ARG A 109 -20.715 -1.553 -0.267 1.00 0.94 C ATOM 1696 C ARG A 109 -21.153 -2.590 0.763 1.00 0.94 C ATOM 1697 O ARG A 109 -21.315 -2.286 1.944 1.00 0.94 O ATOM 1698 CB ARG A 109 -21.932 -0.956 -0.989 1.00 1.00 C ATOM 1699 CG ARG A 109 -23.000 -0.376 -0.067 1.00 1.05 C ATOM 1700 CD ARG A 109 -24.152 0.246 -0.853 1.00 1.12 C ATOM 1701 NE ARG A 109 -23.969 1.682 -1.097 1.00 1.24 N ATOM 1702 CZ ARG A 109 -23.372 2.191 -2.175 1.00 1.71 C ATOM 1703 NH1 ARG A 109 -22.892 1.397 -3.121 1.00 2.19 N1+ ATOM 1704 NH2 ARG A 109 -23.274 3.505 -2.321 1.00 1.94 N ATOM 0 H ARG A 109 -20.166 -2.138 -2.199 1.00 0.91 H new ATOM 0 HA ARG A 109 -20.191 -0.751 0.253 1.00 0.94 H new ATOM 0 HB2 ARG A 109 -21.588 -0.171 -1.663 1.00 1.00 H new ATOM 0 HB3 ARG A 109 -22.387 -1.730 -1.607 1.00 1.00 H new ATOM 0 HG2 ARG A 109 -23.386 -1.162 0.582 1.00 1.05 H new ATOM 0 HG3 ARG A 109 -22.551 0.379 0.579 1.00 1.05 H new ATOM 0 HD2 ARG A 109 -24.253 -0.269 -1.808 1.00 1.12 H new ATOM 0 HD3 ARG A 109 -25.083 0.091 -0.307 1.00 1.12 H new ATOM 0 HE ARG A 109 -24.322 2.333 -0.396 1.00 1.24 H new ATOM 0 HH11 ARG A 109 -22.977 0.385 -3.029 1.00 2.19 H new ATOM 0 HH12 ARG A 109 -22.437 1.798 -3.941 1.00 2.19 H new ATOM 0 HH21 ARG A 109 -23.655 4.127 -1.608 1.00 1.94 H new ATOM 0 HH22 ARG A 109 -22.817 3.894 -3.146 1.00 1.94 H new ATOM 1718 N ASP A 110 -21.314 -3.822 0.303 1.00 0.95 N ATOM 1719 CA ASP A 110 -21.733 -4.916 1.166 1.00 0.97 C ATOM 1720 C ASP A 110 -20.624 -5.323 2.127 1.00 0.92 C ATOM 1721 O ASP A 110 -20.879 -5.572 3.303 1.00 0.92 O ATOM 1722 CB ASP A 110 -22.158 -6.118 0.328 1.00 1.01 C ATOM 1723 CG ASP A 110 -22.603 -7.286 1.180 1.00 1.34 C ATOM 1724 OD1 ASP A 110 -23.755 -7.266 1.664 1.00 1.95 O ATOM 1725 OD2 ASP A 110 -21.811 -8.232 1.356 1.00 1.85 O1- ATOM 0 H ASP A 110 -21.160 -4.090 -0.669 1.00 0.95 H new ATOM 0 HA ASP A 110 -22.582 -4.567 1.754 1.00 0.97 H new ATOM 0 HB2 ASP A 110 -22.971 -5.825 -0.336 1.00 1.01 H new ATOM 0 HB3 ASP A 110 -21.326 -6.429 -0.304 1.00 1.01 H new ATOM 1730 N VAL A 111 -19.392 -5.377 1.627 1.00 0.88 N ATOM 1731 CA VAL A 111 -18.246 -5.762 2.447 1.00 0.84 C ATOM 1732 C VAL A 111 -18.145 -4.893 3.701 1.00 0.84 C ATOM 1733 O VAL A 111 -17.955 -5.402 4.806 1.00 0.84 O ATOM 1734 CB VAL A 111 -16.924 -5.667 1.656 1.00 0.81 C ATOM 1735 CG1 VAL A 111 -15.735 -6.049 2.527 1.00 0.78 C ATOM 1736 CG2 VAL A 111 -16.972 -6.549 0.422 1.00 0.86 C ATOM 0 H VAL A 111 -19.161 -5.159 0.658 1.00 0.88 H new ATOM 0 HA VAL A 111 -18.406 -6.799 2.741 1.00 0.84 H new ATOM 0 HB VAL A 111 -16.800 -4.631 1.341 1.00 0.81 H new ATOM 0 HG11 VAL A 111 -14.817 -5.973 1.944 1.00 0.78 H new ATOM 0 HG12 VAL A 111 -15.679 -5.375 3.382 1.00 0.78 H new ATOM 0 HG13 VAL A 111 -15.857 -7.073 2.880 1.00 0.78 H new ATOM 0 HG21 VAL A 111 -16.030 -6.467 -0.121 1.00 0.86 H new ATOM 0 HG22 VAL A 111 -17.129 -7.585 0.721 1.00 0.86 H new ATOM 0 HG23 VAL A 111 -17.791 -6.229 -0.222 1.00 0.86 H new ATOM 1746 N PHE A 112 -18.301 -3.585 3.526 1.00 0.84 N ATOM 1747 CA PHE A 112 -18.222 -2.649 4.642 1.00 0.85 C ATOM 1748 C PHE A 112 -19.361 -2.878 5.632 1.00 0.89 C ATOM 1749 O PHE A 112 -19.153 -2.852 6.848 1.00 0.92 O ATOM 1750 CB PHE A 112 -18.246 -1.210 4.135 1.00 0.87 C ATOM 1751 CG PHE A 112 -16.924 -0.745 3.585 1.00 0.83 C ATOM 1752 CD1 PHE A 112 -16.471 -1.193 2.352 1.00 0.82 C ATOM 1753 CD2 PHE A 112 -16.134 0.139 4.302 1.00 0.83 C ATOM 1754 CE1 PHE A 112 -15.257 -0.768 1.844 1.00 0.80 C ATOM 1755 CE2 PHE A 112 -14.920 0.568 3.801 1.00 0.82 C ATOM 1756 CZ PHE A 112 -14.480 0.114 2.571 1.00 0.79 C ATOM 0 H PHE A 112 -18.483 -3.149 2.622 1.00 0.84 H new ATOM 0 HA PHE A 112 -17.279 -2.824 5.160 1.00 0.85 H new ATOM 0 HB2 PHE A 112 -19.006 -1.119 3.359 1.00 0.87 H new ATOM 0 HB3 PHE A 112 -18.543 -0.551 4.950 1.00 0.87 H new ATOM 0 HD1 PHE A 112 -17.075 -1.883 1.781 1.00 0.82 H new ATOM 0 HD2 PHE A 112 -16.471 0.497 5.264 1.00 0.83 H new ATOM 0 HE1 PHE A 112 -14.917 -1.124 0.883 1.00 0.80 H new ATOM 0 HE2 PHE A 112 -14.315 1.258 4.370 1.00 0.82 H new ATOM 0 HZ PHE A 112 -13.531 0.448 2.179 1.00 0.79 H new ATOM 1766 N ILE A 113 -20.557 -3.119 5.108 1.00 0.92 N ATOM 1767 CA ILE A 113 -21.722 -3.366 5.946 1.00 0.97 C ATOM 1768 C ILE A 113 -21.547 -4.674 6.714 1.00 0.99 C ATOM 1769 O ILE A 113 -21.848 -4.755 7.908 1.00 1.03 O ATOM 1770 CB ILE A 113 -23.023 -3.413 5.109 1.00 1.00 C ATOM 1771 CG1 ILE A 113 -23.283 -2.050 4.462 1.00 0.98 C ATOM 1772 CG2 ILE A 113 -24.212 -3.833 5.970 1.00 1.08 C ATOM 1773 CD1 ILE A 113 -24.496 -2.035 3.557 1.00 1.33 C ATOM 0 H ILE A 113 -20.745 -3.148 4.106 1.00 0.92 H new ATOM 0 HA ILE A 113 -21.807 -2.540 6.652 1.00 0.97 H new ATOM 0 HB ILE A 113 -22.899 -4.157 4.323 1.00 1.00 H new ATOM 0 HG12 ILE A 113 -23.414 -1.304 5.245 1.00 0.98 H new ATOM 0 HG13 ILE A 113 -22.406 -1.756 3.886 1.00 0.98 H new ATOM 0 HG21 ILE A 113 -25.114 -3.858 5.358 1.00 1.08 H new ATOM 0 HG22 ILE A 113 -24.028 -4.824 6.386 1.00 1.08 H new ATOM 0 HG23 ILE A 113 -24.344 -3.118 6.782 1.00 1.08 H new ATOM 0 HD11 ILE A 113 -24.621 -1.039 3.132 1.00 1.33 H new ATOM 0 HD12 ILE A 113 -24.359 -2.758 2.753 1.00 1.33 H new ATOM 0 HD13 ILE A 113 -25.383 -2.298 4.133 1.00 1.33 H new ATOM 1785 N ASN A 114 -21.025 -5.682 6.024 1.00 0.97 N ATOM 1786 CA ASN A 114 -20.787 -6.994 6.617 1.00 1.00 C ATOM 1787 C ASN A 114 -19.715 -6.900 7.704 1.00 0.99 C ATOM 1788 O ASN A 114 -19.730 -7.655 8.679 1.00 1.02 O ATOM 1789 CB ASN A 114 -20.358 -7.984 5.525 1.00 1.01 C ATOM 1790 CG ASN A 114 -20.569 -9.436 5.916 1.00 1.40 C ATOM 1791 OD1 ASN A 114 -20.122 -9.889 6.970 1.00 1.72 O ATOM 1792 ND2 ASN A 114 -21.259 -10.176 5.066 1.00 1.93 N ATOM 0 H ASN A 114 -20.756 -5.614 5.043 1.00 0.97 H new ATOM 0 HA ASN A 114 -21.709 -7.350 7.076 1.00 1.00 H new ATOM 0 HB2 ASN A 114 -20.919 -7.775 4.614 1.00 1.01 H new ATOM 0 HB3 ASN A 114 -19.304 -7.826 5.294 1.00 1.01 H new ATOM 0 HD21 ASN A 114 -21.437 -11.159 5.273 1.00 1.93 H new ATOM 0 HD22 ASN A 114 -21.613 -9.765 4.202 1.00 1.93 H new ATOM 1799 N ALA A 115 -18.791 -5.962 7.532 1.00 0.97 N ATOM 1800 CA ALA A 115 -17.715 -5.755 8.495 1.00 0.97 C ATOM 1801 C ALA A 115 -18.233 -5.098 9.770 1.00 1.01 C ATOM 1802 O ALA A 115 -17.761 -5.395 10.868 1.00 1.10 O ATOM 1803 CB ALA A 115 -16.607 -4.921 7.880 1.00 0.94 C ATOM 0 H ALA A 115 -18.765 -5.330 6.732 1.00 0.97 H new ATOM 0 HA ALA A 115 -17.311 -6.732 8.762 1.00 0.97 H new ATOM 0 HB1 ALA A 115 -15.812 -4.776 8.612 1.00 0.94 H new ATOM 0 HB2 ALA A 115 -16.207 -5.435 7.006 1.00 0.94 H new ATOM 0 HB3 ALA A 115 -17.005 -3.952 7.580 1.00 0.94 H new ATOM 1809 N GLY A 116 -19.210 -4.217 9.624 1.00 1.01 N ATOM 1810 CA GLY A 116 -19.767 -3.547 10.781 1.00 1.05 C ATOM 1811 C GLY A 116 -20.059 -2.077 10.540 1.00 1.06 C ATOM 1812 O GLY A 116 -20.436 -1.359 11.463 1.00 1.15 O ATOM 0 H GLY A 116 -19.626 -3.954 8.730 1.00 1.01 H new ATOM 0 HA2 GLY A 116 -20.688 -4.050 11.075 1.00 1.05 H new ATOM 0 HA3 GLY A 116 -19.072 -3.640 11.616 1.00 1.05 H new ATOM 1816 N ILE A 117 -19.886 -1.624 9.308 1.00 1.01 N ATOM 1817 CA ILE A 117 -20.149 -0.232 8.969 1.00 1.02 C ATOM 1818 C ILE A 117 -21.568 -0.093 8.442 1.00 1.04 C ATOM 1819 O ILE A 117 -21.948 -0.773 7.491 1.00 1.06 O ATOM 1820 CB ILE A 117 -19.156 0.299 7.911 1.00 0.97 C ATOM 1821 CG1 ILE A 117 -17.714 0.127 8.403 1.00 0.94 C ATOM 1822 CG2 ILE A 117 -19.444 1.760 7.594 1.00 1.00 C ATOM 1823 CD1 ILE A 117 -17.391 0.914 9.662 1.00 1.61 C ATOM 0 H ILE A 117 -19.566 -2.197 8.527 1.00 1.01 H new ATOM 0 HA ILE A 117 -20.024 0.359 9.876 1.00 1.02 H new ATOM 0 HB ILE A 117 -19.281 -0.279 6.996 1.00 0.97 H new ATOM 0 HG12 ILE A 117 -17.529 -0.931 8.591 1.00 0.94 H new ATOM 0 HG13 ILE A 117 -17.032 0.434 7.610 1.00 0.94 H new ATOM 0 HG21 ILE A 117 -18.735 2.117 6.847 1.00 1.00 H new ATOM 0 HG22 ILE A 117 -20.458 1.855 7.206 1.00 1.00 H new ATOM 0 HG23 ILE A 117 -19.345 2.356 8.502 1.00 1.00 H new ATOM 0 HD11 ILE A 117 -16.353 0.739 9.944 1.00 1.61 H new ATOM 0 HD12 ILE A 117 -17.542 1.977 9.475 1.00 1.61 H new ATOM 0 HD13 ILE A 117 -18.047 0.591 10.471 1.00 1.61 H new ATOM 1835 N LYS A 118 -22.353 0.766 9.073 1.00 1.08 N ATOM 1836 CA LYS A 118 -23.730 0.977 8.656 1.00 1.12 C ATOM 1837 C LYS A 118 -23.780 1.503 7.228 1.00 1.11 C ATOM 1838 O LYS A 118 -23.000 2.380 6.855 1.00 1.07 O ATOM 1839 CB LYS A 118 -24.437 1.955 9.597 1.00 1.18 C ATOM 1840 CG LYS A 118 -24.592 1.441 11.022 1.00 1.29 C ATOM 1841 CD LYS A 118 -25.464 2.360 11.867 1.00 1.83 C ATOM 1842 CE LYS A 118 -24.734 2.845 13.111 1.00 1.95 C ATOM 1843 NZ LYS A 118 -24.140 4.196 12.924 1.00 2.73 N1+ ATOM 0 H LYS A 118 -22.061 1.327 9.873 1.00 1.08 H new ATOM 0 HA LYS A 118 -24.246 0.018 8.697 1.00 1.12 H new ATOM 0 HB2 LYS A 118 -23.879 2.891 9.618 1.00 1.18 H new ATOM 0 HB3 LYS A 118 -25.424 2.182 9.194 1.00 1.18 H new ATOM 0 HG2 LYS A 118 -25.030 0.443 11.002 1.00 1.29 H new ATOM 0 HG3 LYS A 118 -23.609 1.349 11.483 1.00 1.29 H new ATOM 0 HD2 LYS A 118 -25.774 3.218 11.270 1.00 1.83 H new ATOM 0 HD3 LYS A 118 -26.371 1.832 12.161 1.00 1.83 H new ATOM 0 HE2 LYS A 118 -25.428 2.868 13.951 1.00 1.95 H new ATOM 0 HE3 LYS A 118 -23.947 2.136 13.367 1.00 1.95 H new ATOM 0 HZ1 LYS A 118 -23.653 4.485 13.796 1.00 2.73 H new ATOM 0 HZ2 LYS A 118 -23.458 4.170 12.139 1.00 2.73 H new ATOM 0 HZ3 LYS A 118 -24.893 4.879 12.705 1.00 2.73 H new ATOM 1857 N GLY A 119 -24.713 0.968 6.446 1.00 1.17 N ATOM 1858 CA GLY A 119 -24.859 1.370 5.059 1.00 1.19 C ATOM 1859 C GLY A 119 -25.033 2.865 4.901 1.00 1.19 C ATOM 1860 O GLY A 119 -24.425 3.470 4.021 1.00 1.19 O ATOM 0 H GLY A 119 -25.376 0.256 6.753 1.00 1.17 H new ATOM 0 HA2 GLY A 119 -23.982 1.049 4.497 1.00 1.19 H new ATOM 0 HA3 GLY A 119 -25.719 0.860 4.626 1.00 1.19 H new ATOM 1864 N GLU A 120 -25.851 3.460 5.762 1.00 1.23 N ATOM 1865 CA GLU A 120 -26.093 4.898 5.712 1.00 1.27 C ATOM 1866 C GLU A 120 -24.802 5.671 5.967 1.00 1.20 C ATOM 1867 O GLU A 120 -24.487 6.624 5.253 1.00 1.22 O ATOM 1868 CB GLU A 120 -27.160 5.292 6.732 1.00 1.35 C ATOM 1869 CG GLU A 120 -27.354 6.792 6.854 1.00 1.80 C ATOM 1870 CD GLU A 120 -28.636 7.152 7.561 1.00 2.36 C ATOM 1871 OE1 GLU A 120 -28.677 7.063 8.806 1.00 2.88 O1- ATOM 1872 OE2 GLU A 120 -29.614 7.522 6.877 1.00 2.98 O ATOM 0 H GLU A 120 -26.356 2.971 6.501 1.00 1.23 H new ATOM 0 HA GLU A 120 -26.453 5.152 4.715 1.00 1.27 H new ATOM 0 HB2 GLU A 120 -28.108 4.832 6.451 1.00 1.35 H new ATOM 0 HB3 GLU A 120 -26.887 4.888 7.707 1.00 1.35 H new ATOM 0 HG2 GLU A 120 -26.511 7.221 7.396 1.00 1.80 H new ATOM 0 HG3 GLU A 120 -27.354 7.237 5.859 1.00 1.80 H new ATOM 1879 N GLU A 121 -24.058 5.247 6.982 1.00 1.16 N ATOM 1880 CA GLU A 121 -22.792 5.884 7.331 1.00 1.12 C ATOM 1881 C GLU A 121 -21.811 5.771 6.168 1.00 1.07 C ATOM 1882 O GLU A 121 -21.171 6.750 5.775 1.00 1.07 O ATOM 1883 CB GLU A 121 -22.211 5.229 8.588 1.00 1.10 C ATOM 1884 CG GLU A 121 -20.897 5.832 9.055 1.00 1.15 C ATOM 1885 CD GLU A 121 -21.072 7.140 9.794 1.00 1.70 C ATOM 1886 OE1 GLU A 121 -21.669 7.136 10.893 1.00 1.97 O ATOM 1887 OE2 GLU A 121 -20.587 8.177 9.298 1.00 2.52 O1- ATOM 0 H GLU A 121 -24.311 4.461 7.581 1.00 1.16 H new ATOM 0 HA GLU A 121 -22.966 6.941 7.535 1.00 1.12 H new ATOM 0 HB2 GLU A 121 -22.940 5.307 9.394 1.00 1.10 H new ATOM 0 HB3 GLU A 121 -22.062 4.167 8.394 1.00 1.10 H new ATOM 0 HG2 GLU A 121 -20.388 5.120 9.705 1.00 1.15 H new ATOM 0 HG3 GLU A 121 -20.251 5.993 8.192 1.00 1.15 H new ATOM 1894 N TYR A 122 -21.729 4.575 5.607 1.00 1.04 N ATOM 1895 CA TYR A 122 -20.845 4.302 4.485 1.00 1.01 C ATOM 1896 C TYR A 122 -21.236 5.132 3.269 1.00 1.05 C ATOM 1897 O TYR A 122 -20.391 5.770 2.648 1.00 1.05 O ATOM 1898 CB TYR A 122 -20.894 2.811 4.143 1.00 1.00 C ATOM 1899 CG TYR A 122 -20.089 2.434 2.922 1.00 0.95 C ATOM 1900 CD1 TYR A 122 -18.702 2.387 2.969 1.00 1.50 C ATOM 1901 CD2 TYR A 122 -20.714 2.120 1.722 1.00 1.30 C ATOM 1902 CE1 TYR A 122 -17.960 2.039 1.858 1.00 1.51 C ATOM 1903 CE2 TYR A 122 -19.976 1.772 0.605 1.00 1.28 C ATOM 1904 CZ TYR A 122 -18.598 1.732 0.679 1.00 0.93 C ATOM 1905 OH TYR A 122 -17.858 1.373 -0.424 1.00 0.95 O ATOM 0 H TYR A 122 -22.272 3.768 5.915 1.00 1.04 H new ATOM 0 HA TYR A 122 -19.829 4.576 4.769 1.00 1.01 H new ATOM 0 HB2 TYR A 122 -20.528 2.241 4.997 1.00 1.00 H new ATOM 0 HB3 TYR A 122 -21.932 2.519 3.986 1.00 1.00 H new ATOM 0 HD1 TYR A 122 -18.194 2.627 3.892 1.00 1.50 H new ATOM 0 HD2 TYR A 122 -21.792 2.148 1.660 1.00 1.30 H new ATOM 0 HE1 TYR A 122 -16.882 2.008 1.915 1.00 1.51 H new ATOM 0 HE2 TYR A 122 -20.476 1.532 -0.322 1.00 1.28 H new ATOM 0 HH TYR A 122 -17.707 2.161 -0.987 1.00 0.95 H new ATOM 1915 N ASP A 123 -22.524 5.130 2.946 1.00 1.11 N ATOM 1916 CA ASP A 123 -23.030 5.874 1.798 1.00 1.18 C ATOM 1917 C ASP A 123 -22.797 7.367 1.969 1.00 1.18 C ATOM 1918 O ASP A 123 -22.510 8.075 0.999 1.00 1.21 O ATOM 1919 CB ASP A 123 -24.517 5.592 1.589 1.00 1.25 C ATOM 1920 CG ASP A 123 -24.767 4.711 0.384 1.00 1.72 C ATOM 1921 OD1 ASP A 123 -24.659 5.210 -0.757 1.00 2.25 O ATOM 1922 OD2 ASP A 123 -25.080 3.515 0.571 1.00 2.30 O1- ATOM 0 H ASP A 123 -23.239 4.620 3.464 1.00 1.11 H new ATOM 0 HA ASP A 123 -22.483 5.542 0.916 1.00 1.18 H new ATOM 0 HB2 ASP A 123 -24.923 5.111 2.479 1.00 1.25 H new ATOM 0 HB3 ASP A 123 -25.050 6.535 1.465 1.00 1.25 H new ATOM 1927 N ALA A 124 -22.917 7.844 3.203 1.00 1.18 N ATOM 1928 CA ALA A 124 -22.694 9.251 3.496 1.00 1.20 C ATOM 1929 C ALA A 124 -21.238 9.608 3.231 1.00 1.17 C ATOM 1930 O ALA A 124 -20.937 10.625 2.605 1.00 1.23 O ATOM 1931 CB ALA A 124 -23.066 9.566 4.936 1.00 1.21 C ATOM 0 H ALA A 124 -23.167 7.277 4.013 1.00 1.18 H new ATOM 0 HA ALA A 124 -23.330 9.850 2.845 1.00 1.20 H new ATOM 0 HB1 ALA A 124 -22.891 10.624 5.134 1.00 1.21 H new ATOM 0 HB2 ALA A 124 -24.119 9.335 5.099 1.00 1.21 H new ATOM 0 HB3 ALA A 124 -22.455 8.965 5.609 1.00 1.21 H new ATOM 1937 N ALA A 125 -20.340 8.744 3.702 1.00 1.09 N ATOM 1938 CA ALA A 125 -18.910 8.939 3.522 1.00 1.06 C ATOM 1939 C ALA A 125 -18.525 8.791 2.055 1.00 1.08 C ATOM 1940 O ALA A 125 -17.642 9.490 1.564 1.00 1.11 O ATOM 1941 CB ALA A 125 -18.127 7.959 4.380 1.00 1.02 C ATOM 0 H ALA A 125 -20.585 7.897 4.215 1.00 1.09 H new ATOM 0 HA ALA A 125 -18.661 9.952 3.839 1.00 1.06 H new ATOM 0 HB1 ALA A 125 -17.059 8.119 4.233 1.00 1.02 H new ATOM 0 HB2 ALA A 125 -18.376 8.115 5.430 1.00 1.02 H new ATOM 0 HB3 ALA A 125 -18.384 6.939 4.094 1.00 1.02 H new ATOM 1947 N TRP A 126 -19.199 7.881 1.360 1.00 1.07 N ATOM 1948 CA TRP A 126 -18.948 7.640 -0.059 1.00 1.10 C ATOM 1949 C TRP A 126 -19.150 8.920 -0.872 1.00 1.21 C ATOM 1950 O TRP A 126 -18.424 9.186 -1.831 1.00 1.25 O ATOM 1951 CB TRP A 126 -19.888 6.536 -0.564 1.00 1.12 C ATOM 1952 CG TRP A 126 -19.684 6.152 -2.002 1.00 1.15 C ATOM 1953 CD1 TRP A 126 -20.374 6.621 -3.082 1.00 1.31 C ATOM 1954 CD2 TRP A 126 -18.734 5.211 -2.518 1.00 1.04 C ATOM 1955 NE1 TRP A 126 -19.909 6.036 -4.233 1.00 1.30 N ATOM 1956 CE2 TRP A 126 -18.900 5.168 -3.914 1.00 1.14 C ATOM 1957 CE3 TRP A 126 -17.754 4.405 -1.934 1.00 0.92 C ATOM 1958 CZ2 TRP A 126 -18.124 4.353 -4.734 1.00 1.09 C ATOM 1959 CZ3 TRP A 126 -16.989 3.593 -2.750 1.00 0.89 C ATOM 1960 CH2 TRP A 126 -17.177 3.575 -4.135 1.00 0.96 C ATOM 0 H TRP A 126 -19.930 7.293 1.760 1.00 1.07 H new ATOM 0 HA TRP A 126 -17.913 7.321 -0.184 1.00 1.10 H new ATOM 0 HB2 TRP A 126 -19.754 5.651 0.058 1.00 1.12 H new ATOM 0 HB3 TRP A 126 -20.919 6.866 -0.432 1.00 1.12 H new ATOM 0 HD1 TRP A 126 -21.171 7.348 -3.037 1.00 1.31 H new ATOM 0 HE1 TRP A 126 -20.259 6.218 -5.174 1.00 1.30 H new ATOM 0 HE3 TRP A 126 -17.597 4.416 -0.866 1.00 0.92 H new ATOM 0 HZ2 TRP A 126 -18.267 4.337 -5.804 1.00 1.09 H new ATOM 0 HZ3 TRP A 126 -16.232 2.961 -2.309 1.00 0.89 H new ATOM 0 HH2 TRP A 126 -16.559 2.931 -4.744 1.00 0.96 H new ATOM 1971 N ASN A 127 -20.131 9.717 -0.471 1.00 1.27 N ATOM 1972 CA ASN A 127 -20.438 10.964 -1.160 1.00 1.39 C ATOM 1973 C ASN A 127 -19.840 12.162 -0.426 1.00 1.41 C ATOM 1974 O ASN A 127 -20.221 13.308 -0.675 1.00 1.53 O ATOM 1975 CB ASN A 127 -21.954 11.139 -1.276 1.00 1.49 C ATOM 1976 CG ASN A 127 -22.594 10.176 -2.261 1.00 1.52 C ATOM 1977 OD1 ASN A 127 -22.734 10.482 -3.445 1.00 1.63 O ATOM 1978 ND2 ASN A 127 -22.997 9.008 -1.782 1.00 1.49 N ATOM 0 H ASN A 127 -20.730 9.522 0.331 1.00 1.27 H new ATOM 0 HA ASN A 127 -19.997 10.915 -2.156 1.00 1.39 H new ATOM 0 HB2 ASN A 127 -22.406 10.998 -0.294 1.00 1.49 H new ATOM 0 HB3 ASN A 127 -22.173 12.162 -1.583 1.00 1.49 H new ATOM 0 HD21 ASN A 127 -23.440 8.328 -2.401 1.00 1.49 H new ATOM 0 HD22 ASN A 127 -22.865 8.789 -0.795 1.00 1.49 H new ATOM 1985 N SER A 128 -18.899 11.901 0.476 1.00 1.34 N ATOM 1986 CA SER A 128 -18.260 12.965 1.243 1.00 1.37 C ATOM 1987 C SER A 128 -17.083 13.568 0.477 1.00 1.36 C ATOM 1988 O SER A 128 -16.354 12.863 -0.223 1.00 1.34 O ATOM 1989 CB SER A 128 -17.793 12.437 2.600 1.00 1.32 C ATOM 1990 OG SER A 128 -18.900 12.156 3.440 1.00 2.04 O ATOM 0 H SER A 128 -18.562 10.963 0.694 1.00 1.34 H new ATOM 0 HA SER A 128 -18.997 13.751 1.404 1.00 1.37 H new ATOM 0 HB2 SER A 128 -17.200 11.534 2.459 1.00 1.32 H new ATOM 0 HB3 SER A 128 -17.146 13.172 3.078 1.00 1.32 H new ATOM 0 HG SER A 128 -19.642 11.813 2.899 1.00 2.04 H new ATOM 1996 N PHE A 129 -16.899 14.873 0.633 1.00 1.41 N ATOM 1997 CA PHE A 129 -15.823 15.593 -0.036 1.00 1.43 C ATOM 1998 C PHE A 129 -14.461 15.118 0.460 1.00 1.32 C ATOM 1999 O PHE A 129 -13.506 15.023 -0.313 1.00 1.24 O ATOM 2000 CB PHE A 129 -15.983 17.100 0.187 1.00 1.58 C ATOM 2001 CG PHE A 129 -14.805 17.911 -0.268 1.00 2.28 C ATOM 2002 CD1 PHE A 129 -14.451 17.952 -1.606 1.00 2.61 C ATOM 2003 CD2 PHE A 129 -14.054 18.631 0.646 1.00 2.95 C ATOM 2004 CE1 PHE A 129 -13.366 18.697 -2.026 1.00 3.39 C ATOM 2005 CE2 PHE A 129 -12.967 19.377 0.231 1.00 3.66 C ATOM 2006 CZ PHE A 129 -12.623 19.410 -1.105 1.00 3.82 C ATOM 0 H PHE A 129 -17.488 15.460 1.224 1.00 1.41 H new ATOM 0 HA PHE A 129 -15.881 15.388 -1.105 1.00 1.43 H new ATOM 0 HB2 PHE A 129 -16.873 17.443 -0.341 1.00 1.58 H new ATOM 0 HB3 PHE A 129 -16.150 17.284 1.248 1.00 1.58 H new ATOM 0 HD1 PHE A 129 -15.029 17.396 -2.329 1.00 2.61 H new ATOM 0 HD2 PHE A 129 -14.320 18.609 1.692 1.00 2.95 H new ATOM 0 HE1 PHE A 129 -13.099 18.722 -3.072 1.00 3.39 H new ATOM 0 HE2 PHE A 129 -12.387 19.934 0.952 1.00 3.66 H new ATOM 0 HZ PHE A 129 -11.774 19.993 -1.430 1.00 3.82 H new ATOM 2016 N VAL A 130 -14.384 14.817 1.752 1.00 1.34 N ATOM 2017 CA VAL A 130 -13.146 14.340 2.362 1.00 1.27 C ATOM 2018 C VAL A 130 -12.633 13.094 1.642 1.00 1.13 C ATOM 2019 O VAL A 130 -11.458 13.009 1.281 1.00 1.06 O ATOM 2020 CB VAL A 130 -13.340 14.030 3.864 1.00 1.34 C ATOM 2021 CG1 VAL A 130 -12.057 13.490 4.479 1.00 1.30 C ATOM 2022 CG2 VAL A 130 -13.803 15.276 4.600 1.00 1.53 C ATOM 0 H VAL A 130 -15.168 14.895 2.400 1.00 1.34 H new ATOM 0 HA VAL A 130 -12.409 15.137 2.266 1.00 1.27 H new ATOM 0 HB VAL A 130 -14.107 13.261 3.960 1.00 1.34 H new ATOM 0 HG11 VAL A 130 -12.220 13.280 5.536 1.00 1.30 H new ATOM 0 HG12 VAL A 130 -11.766 12.572 3.967 1.00 1.30 H new ATOM 0 HG13 VAL A 130 -11.264 14.230 4.375 1.00 1.30 H new ATOM 0 HG21 VAL A 130 -13.936 15.046 5.657 1.00 1.53 H new ATOM 0 HG22 VAL A 130 -13.055 16.062 4.491 1.00 1.53 H new ATOM 0 HG23 VAL A 130 -14.750 15.616 4.180 1.00 1.53 H new ATOM 2032 N VAL A 131 -13.535 12.149 1.406 1.00 1.11 N ATOM 2033 CA VAL A 131 -13.196 10.907 0.724 1.00 1.01 C ATOM 2034 C VAL A 131 -12.750 11.191 -0.705 1.00 0.96 C ATOM 2035 O VAL A 131 -11.765 10.629 -1.182 1.00 0.90 O ATOM 2036 CB VAL A 131 -14.394 9.930 0.734 1.00 1.04 C ATOM 2037 CG1 VAL A 131 -14.237 8.836 -0.314 1.00 0.98 C ATOM 2038 CG2 VAL A 131 -14.560 9.323 2.121 1.00 1.08 C ATOM 0 H VAL A 131 -14.515 12.221 1.680 1.00 1.11 H new ATOM 0 HA VAL A 131 -12.371 10.437 1.259 1.00 1.01 H new ATOM 0 HB VAL A 131 -15.291 10.496 0.482 1.00 1.04 H new ATOM 0 HG11 VAL A 131 -15.099 8.169 -0.276 1.00 0.98 H new ATOM 0 HG12 VAL A 131 -14.171 9.287 -1.304 1.00 0.98 H new ATOM 0 HG13 VAL A 131 -13.329 8.267 -0.113 1.00 0.98 H new ATOM 0 HG21 VAL A 131 -15.406 8.636 2.119 1.00 1.08 H new ATOM 0 HG22 VAL A 131 -13.654 8.781 2.392 1.00 1.08 H new ATOM 0 HG23 VAL A 131 -14.739 10.117 2.846 1.00 1.08 H new ATOM 2048 N LYS A 132 -13.462 12.093 -1.373 1.00 1.02 N ATOM 2049 CA LYS A 132 -13.127 12.465 -2.742 1.00 1.01 C ATOM 2050 C LYS A 132 -11.726 13.075 -2.805 1.00 0.96 C ATOM 2051 O LYS A 132 -11.002 12.898 -3.783 1.00 0.91 O ATOM 2052 CB LYS A 132 -14.149 13.458 -3.291 1.00 1.11 C ATOM 2053 CG LYS A 132 -15.563 12.902 -3.364 1.00 1.32 C ATOM 2054 CD LYS A 132 -16.578 13.979 -3.721 1.00 1.44 C ATOM 2055 CE LYS A 132 -16.360 14.528 -5.127 1.00 1.93 C ATOM 2056 NZ LYS A 132 -16.573 13.493 -6.170 1.00 2.43 N1+ ATOM 0 H LYS A 132 -14.273 12.579 -0.989 1.00 1.02 H new ATOM 0 HA LYS A 132 -13.146 11.563 -3.354 1.00 1.01 H new ATOM 0 HB2 LYS A 132 -14.150 14.349 -2.663 1.00 1.11 H new ATOM 0 HB3 LYS A 132 -13.839 13.771 -4.288 1.00 1.11 H new ATOM 0 HG2 LYS A 132 -15.602 12.105 -4.107 1.00 1.32 H new ATOM 0 HG3 LYS A 132 -15.828 12.457 -2.405 1.00 1.32 H new ATOM 0 HD2 LYS A 132 -17.585 13.568 -3.645 1.00 1.44 H new ATOM 0 HD3 LYS A 132 -16.511 14.793 -3.000 1.00 1.44 H new ATOM 0 HE2 LYS A 132 -17.041 15.362 -5.300 1.00 1.93 H new ATOM 0 HE3 LYS A 132 -15.347 14.922 -5.209 1.00 1.93 H new ATOM 0 HZ1 LYS A 132 -16.616 13.946 -7.105 1.00 2.43 H new ATOM 0 HZ2 LYS A 132 -15.786 12.813 -6.150 1.00 2.43 H new ATOM 0 HZ3 LYS A 132 -17.466 12.993 -5.986 1.00 2.43 H new ATOM 2070 N SER A 133 -11.355 13.787 -1.748 1.00 0.99 N ATOM 2071 CA SER A 133 -10.046 14.420 -1.663 1.00 0.96 C ATOM 2072 C SER A 133 -8.951 13.370 -1.455 1.00 0.88 C ATOM 2073 O SER A 133 -7.805 13.556 -1.863 1.00 0.86 O ATOM 2074 CB SER A 133 -10.032 15.436 -0.518 1.00 1.04 C ATOM 2075 OG SER A 133 -10.989 16.465 -0.735 1.00 1.47 O ATOM 0 H SER A 133 -11.948 13.941 -0.932 1.00 0.99 H new ATOM 0 HA SER A 133 -9.848 14.939 -2.601 1.00 0.96 H new ATOM 0 HB2 SER A 133 -10.245 14.930 0.424 1.00 1.04 H new ATOM 0 HB3 SER A 133 -9.038 15.873 -0.428 1.00 1.04 H new ATOM 0 HG SER A 133 -11.891 16.105 -0.606 1.00 1.47 H new ATOM 2081 N LEU A 134 -9.311 12.264 -0.821 1.00 0.85 N ATOM 2082 CA LEU A 134 -8.365 11.187 -0.577 1.00 0.79 C ATOM 2083 C LEU A 134 -8.099 10.422 -1.870 1.00 0.72 C ATOM 2084 O LEU A 134 -6.984 9.952 -2.104 1.00 0.69 O ATOM 2085 CB LEU A 134 -8.891 10.244 0.508 1.00 0.80 C ATOM 2086 CG LEU A 134 -9.027 10.864 1.902 1.00 0.88 C ATOM 2087 CD1 LEU A 134 -9.728 9.905 2.851 1.00 0.91 C ATOM 2088 CD2 LEU A 134 -7.661 11.246 2.450 1.00 0.93 C ATOM 0 H LEU A 134 -10.251 12.089 -0.466 1.00 0.85 H new ATOM 0 HA LEU A 134 -7.427 11.618 -0.226 1.00 0.79 H new ATOM 0 HB2 LEU A 134 -9.866 9.868 0.198 1.00 0.80 H new ATOM 0 HB3 LEU A 134 -8.224 9.384 0.574 1.00 0.80 H new ATOM 0 HG LEU A 134 -9.632 11.766 1.816 1.00 0.88 H new ATOM 0 HD11 LEU A 134 -9.814 10.365 3.835 1.00 0.91 H new ATOM 0 HD12 LEU A 134 -10.723 9.677 2.469 1.00 0.91 H new ATOM 0 HD13 LEU A 134 -9.150 8.984 2.930 1.00 0.91 H new ATOM 0 HD21 LEU A 134 -7.776 11.685 3.441 1.00 0.93 H new ATOM 0 HD22 LEU A 134 -7.034 10.357 2.518 1.00 0.93 H new ATOM 0 HD23 LEU A 134 -7.192 11.971 1.785 1.00 0.93 H new ATOM 2100 N VAL A 135 -9.124 10.315 -2.712 1.00 0.73 N ATOM 2101 CA VAL A 135 -8.998 9.621 -3.994 1.00 0.69 C ATOM 2102 C VAL A 135 -7.956 10.315 -4.866 1.00 0.68 C ATOM 2103 O VAL A 135 -7.106 9.666 -5.481 1.00 0.63 O ATOM 2104 CB VAL A 135 -10.345 9.575 -4.751 1.00 0.75 C ATOM 2105 CG1 VAL A 135 -10.213 8.799 -6.056 1.00 0.73 C ATOM 2106 CG2 VAL A 135 -11.431 8.970 -3.870 1.00 0.80 C ATOM 0 H VAL A 135 -10.051 10.699 -2.531 1.00 0.73 H new ATOM 0 HA VAL A 135 -8.686 8.598 -3.783 1.00 0.69 H new ATOM 0 HB VAL A 135 -10.631 10.597 -4.998 1.00 0.75 H new ATOM 0 HG11 VAL A 135 -11.175 8.782 -6.568 1.00 0.73 H new ATOM 0 HG12 VAL A 135 -9.471 9.281 -6.693 1.00 0.73 H new ATOM 0 HG13 VAL A 135 -9.898 7.778 -5.842 1.00 0.73 H new ATOM 0 HG21 VAL A 135 -12.373 8.945 -4.418 1.00 0.80 H new ATOM 0 HG22 VAL A 135 -11.148 7.956 -3.589 1.00 0.80 H new ATOM 0 HG23 VAL A 135 -11.550 9.576 -2.972 1.00 0.80 H new ATOM 2116 N ALA A 136 -8.018 11.639 -4.888 1.00 0.74 N ATOM 2117 CA ALA A 136 -7.085 12.436 -5.670 1.00 0.75 C ATOM 2118 C ALA A 136 -5.661 12.288 -5.147 1.00 0.70 C ATOM 2119 O ALA A 136 -4.718 12.178 -5.924 1.00 0.68 O ATOM 2120 CB ALA A 136 -7.501 13.901 -5.661 1.00 0.85 C ATOM 0 H ALA A 136 -8.707 12.185 -4.371 1.00 0.74 H new ATOM 0 HA ALA A 136 -7.108 12.069 -6.696 1.00 0.75 H new ATOM 0 HB1 ALA A 136 -6.793 14.484 -6.250 1.00 0.85 H new ATOM 0 HB2 ALA A 136 -8.498 13.999 -6.091 1.00 0.85 H new ATOM 0 HB3 ALA A 136 -7.510 14.270 -4.636 1.00 0.85 H new ATOM 2126 N GLN A 137 -5.515 12.263 -3.823 1.00 0.72 N ATOM 2127 CA GLN A 137 -4.201 12.140 -3.195 1.00 0.71 C ATOM 2128 C GLN A 137 -3.527 10.821 -3.558 1.00 0.63 C ATOM 2129 O GLN A 137 -2.323 10.780 -3.811 1.00 0.63 O ATOM 2130 CB GLN A 137 -4.324 12.261 -1.674 1.00 0.78 C ATOM 2131 CG GLN A 137 -4.570 13.684 -1.201 1.00 0.84 C ATOM 2132 CD GLN A 137 -4.863 13.769 0.284 1.00 0.83 C ATOM 2133 OE1 GLN A 137 -6.138 13.765 0.631 1.00 1.08 O flip ATOM 2134 NE2 GLN A 137 -3.953 13.854 1.107 1.00 1.39 N flip ATOM 0 H GLN A 137 -6.291 12.326 -3.164 1.00 0.72 H new ATOM 0 HA GLN A 137 -3.579 12.952 -3.572 1.00 0.71 H new ATOM 0 HB2 GLN A 137 -5.140 11.625 -1.331 1.00 0.78 H new ATOM 0 HB3 GLN A 137 -3.411 11.885 -1.212 1.00 0.78 H new ATOM 0 HG2 GLN A 137 -3.696 14.294 -1.429 1.00 0.84 H new ATOM 0 HG3 GLN A 137 -5.407 14.107 -1.756 1.00 0.84 H new ATOM 0 HE21 GLN A 137 -2.982 13.853 0.795 1.00 1.39 H new ATOM 0 HE22 GLN A 137 -4.170 13.925 2.101 1.00 1.39 H new ATOM 2143 N GLN A 138 -4.315 9.753 -3.589 1.00 0.58 N ATOM 2144 CA GLN A 138 -3.807 8.424 -3.917 1.00 0.52 C ATOM 2145 C GLN A 138 -3.182 8.401 -5.313 1.00 0.55 C ATOM 2146 O GLN A 138 -2.034 7.986 -5.485 1.00 0.58 O ATOM 2147 CB GLN A 138 -4.933 7.391 -3.834 1.00 0.50 C ATOM 2148 CG GLN A 138 -5.472 7.190 -2.424 1.00 0.50 C ATOM 2149 CD GLN A 138 -6.624 6.208 -2.366 1.00 0.50 C ATOM 2150 OE1 GLN A 138 -6.424 4.998 -2.258 1.00 0.49 O ATOM 2151 NE2 GLN A 138 -7.840 6.726 -2.419 1.00 0.61 N ATOM 0 H GLN A 138 -5.315 9.781 -3.390 1.00 0.58 H new ATOM 0 HA GLN A 138 -3.034 8.172 -3.191 1.00 0.52 H new ATOM 0 HB2 GLN A 138 -5.750 7.703 -4.485 1.00 0.50 H new ATOM 0 HB3 GLN A 138 -4.568 6.437 -4.214 1.00 0.50 H new ATOM 0 HG2 GLN A 138 -4.667 6.836 -1.780 1.00 0.50 H new ATOM 0 HG3 GLN A 138 -5.800 8.150 -2.026 1.00 0.50 H new ATOM 0 HE21 GLN A 138 -7.961 7.735 -2.509 1.00 0.61 H new ATOM 0 HE22 GLN A 138 -8.656 6.117 -2.370 1.00 0.61 H new ATOM 2160 N GLU A 139 -3.934 8.865 -6.301 1.00 0.60 N ATOM 2161 CA GLU A 139 -3.461 8.890 -7.680 1.00 0.67 C ATOM 2162 C GLU A 139 -2.385 9.955 -7.891 1.00 0.64 C ATOM 2163 O GLU A 139 -1.519 9.809 -8.757 1.00 0.66 O ATOM 2164 CB GLU A 139 -4.635 9.133 -8.622 1.00 0.78 C ATOM 2165 CG GLU A 139 -5.390 7.863 -8.986 1.00 1.18 C ATOM 2166 CD GLU A 139 -4.766 7.128 -10.155 1.00 2.12 C ATOM 2167 OE1 GLU A 139 -4.850 7.641 -11.292 1.00 2.63 O1- ATOM 2168 OE2 GLU A 139 -4.194 6.034 -9.953 1.00 2.82 O ATOM 0 H GLU A 139 -4.878 9.231 -6.174 1.00 0.60 H new ATOM 0 HA GLU A 139 -3.010 7.922 -7.899 1.00 0.67 H new ATOM 0 HB2 GLU A 139 -5.325 9.837 -8.157 1.00 0.78 H new ATOM 0 HB3 GLU A 139 -4.268 9.603 -9.534 1.00 0.78 H new ATOM 0 HG2 GLU A 139 -5.420 7.202 -8.120 1.00 1.18 H new ATOM 0 HG3 GLU A 139 -6.422 8.116 -9.230 1.00 1.18 H new ATOM 2175 N LYS A 140 -2.447 11.018 -7.103 1.00 0.64 N ATOM 2176 CA LYS A 140 -1.478 12.102 -7.192 1.00 0.65 C ATOM 2177 C LYS A 140 -0.084 11.604 -6.830 1.00 0.63 C ATOM 2178 O LYS A 140 0.878 11.824 -7.568 1.00 0.64 O ATOM 2179 CB LYS A 140 -1.882 13.239 -6.252 1.00 0.71 C ATOM 2180 CG LYS A 140 -1.012 14.477 -6.375 1.00 0.85 C ATOM 2181 CD LYS A 140 -1.162 15.397 -5.170 1.00 1.16 C ATOM 2182 CE LYS A 140 -2.598 15.882 -4.980 1.00 1.57 C ATOM 2183 NZ LYS A 140 -2.680 17.030 -4.028 1.00 1.95 N1+ ATOM 0 H LYS A 140 -3.163 11.154 -6.390 1.00 0.64 H new ATOM 0 HA LYS A 140 -1.462 12.470 -8.218 1.00 0.65 H new ATOM 0 HB2 LYS A 140 -2.918 13.513 -6.453 1.00 0.71 H new ATOM 0 HB3 LYS A 140 -1.842 12.879 -5.224 1.00 0.71 H new ATOM 0 HG2 LYS A 140 0.032 14.179 -6.477 1.00 0.85 H new ATOM 0 HG3 LYS A 140 -1.279 15.020 -7.282 1.00 0.85 H new ATOM 0 HD2 LYS A 140 -0.838 14.870 -4.272 1.00 1.16 H new ATOM 0 HD3 LYS A 140 -0.504 16.258 -5.290 1.00 1.16 H new ATOM 0 HE2 LYS A 140 -3.010 16.180 -5.944 1.00 1.57 H new ATOM 0 HE3 LYS A 140 -3.212 15.061 -4.611 1.00 1.57 H new ATOM 0 HZ1 LYS A 140 -3.671 17.328 -3.928 1.00 1.95 H new ATOM 0 HZ2 LYS A 140 -2.311 16.739 -3.100 1.00 1.95 H new ATOM 0 HZ3 LYS A 140 -2.115 17.824 -4.392 1.00 1.95 H new ATOM 2197 N ALA A 141 0.009 10.914 -5.702 1.00 0.62 N ATOM 2198 CA ALA A 141 1.279 10.387 -5.227 1.00 0.62 C ATOM 2199 C ALA A 141 1.867 9.377 -6.209 1.00 0.58 C ATOM 2200 O ALA A 141 3.055 9.429 -6.522 1.00 0.60 O ATOM 2201 CB ALA A 141 1.108 9.757 -3.851 1.00 0.65 C ATOM 0 H ALA A 141 -0.785 10.706 -5.096 1.00 0.62 H new ATOM 0 HA ALA A 141 1.979 11.219 -5.150 1.00 0.62 H new ATOM 0 HB1 ALA A 141 2.066 9.367 -3.508 1.00 0.65 H new ATOM 0 HB2 ALA A 141 0.750 10.509 -3.148 1.00 0.65 H new ATOM 0 HB3 ALA A 141 0.385 8.943 -3.911 1.00 0.65 H new ATOM 2207 N ALA A 142 1.019 8.483 -6.713 1.00 0.56 N ATOM 2208 CA ALA A 142 1.453 7.449 -7.654 1.00 0.54 C ATOM 2209 C ALA A 142 2.017 8.058 -8.936 1.00 0.57 C ATOM 2210 O ALA A 142 2.989 7.552 -9.505 1.00 0.61 O ATOM 2211 CB ALA A 142 0.297 6.520 -7.982 1.00 0.53 C ATOM 0 H ALA A 142 0.025 8.453 -6.486 1.00 0.56 H new ATOM 0 HA ALA A 142 2.249 6.878 -7.177 1.00 0.54 H new ATOM 0 HB1 ALA A 142 0.632 5.755 -8.683 1.00 0.53 H new ATOM 0 HB2 ALA A 142 -0.058 6.044 -7.068 1.00 0.53 H new ATOM 0 HB3 ALA A 142 -0.514 7.093 -8.431 1.00 0.53 H new ATOM 2217 N ALA A 143 1.399 9.145 -9.384 1.00 0.58 N ATOM 2218 CA ALA A 143 1.836 9.825 -10.594 1.00 0.63 C ATOM 2219 C ALA A 143 3.132 10.592 -10.347 1.00 0.66 C ATOM 2220 O ALA A 143 4.046 10.575 -11.175 1.00 0.72 O ATOM 2221 CB ALA A 143 0.750 10.762 -11.102 1.00 0.69 C ATOM 0 H ALA A 143 0.594 9.573 -8.926 1.00 0.58 H new ATOM 0 HA ALA A 143 2.027 9.071 -11.358 1.00 0.63 H new ATOM 0 HB1 ALA A 143 1.095 11.262 -12.007 1.00 0.69 H new ATOM 0 HB2 ALA A 143 -0.150 10.189 -11.324 1.00 0.69 H new ATOM 0 HB3 ALA A 143 0.526 11.507 -10.339 1.00 0.69 H new ATOM 2227 N ASP A 144 3.213 11.242 -9.194 1.00 0.67 N ATOM 2228 CA ASP A 144 4.389 12.027 -8.829 1.00 0.71 C ATOM 2229 C ASP A 144 5.630 11.150 -8.672 1.00 0.72 C ATOM 2230 O ASP A 144 6.704 11.498 -9.164 1.00 0.79 O ATOM 2231 CB ASP A 144 4.123 12.808 -7.542 1.00 0.73 C ATOM 2232 CG ASP A 144 3.804 14.263 -7.808 1.00 0.85 C ATOM 2233 OD1 ASP A 144 2.621 14.580 -8.053 1.00 1.39 O ATOM 2234 OD2 ASP A 144 4.731 15.102 -7.774 1.00 1.38 O1- ATOM 0 H ASP A 144 2.475 11.242 -8.490 1.00 0.67 H new ATOM 0 HA ASP A 144 4.584 12.728 -9.640 1.00 0.71 H new ATOM 0 HB2 ASP A 144 3.293 12.349 -7.006 1.00 0.73 H new ATOM 0 HB3 ASP A 144 4.996 12.743 -6.893 1.00 0.73 H new ATOM 2239 N VAL A 145 5.479 10.006 -8.017 1.00 0.68 N ATOM 2240 CA VAL A 145 6.602 9.097 -7.802 1.00 0.70 C ATOM 2241 C VAL A 145 6.890 8.255 -9.045 1.00 0.70 C ATOM 2242 O VAL A 145 7.841 7.473 -9.053 1.00 0.75 O ATOM 2243 CB VAL A 145 6.359 8.149 -6.602 1.00 0.68 C ATOM 2244 CG1 VAL A 145 6.145 8.934 -5.315 1.00 1.34 C ATOM 2245 CG2 VAL A 145 5.183 7.224 -6.873 1.00 1.34 C ATOM 0 H VAL A 145 4.594 9.684 -7.626 1.00 0.68 H new ATOM 0 HA VAL A 145 7.463 9.729 -7.585 1.00 0.70 H new ATOM 0 HB VAL A 145 7.252 7.537 -6.475 1.00 0.68 H new ATOM 0 HG11 VAL A 145 5.977 8.242 -4.490 1.00 1.34 H new ATOM 0 HG12 VAL A 145 7.027 9.539 -5.107 1.00 1.34 H new ATOM 0 HG13 VAL A 145 5.277 9.584 -5.425 1.00 1.34 H new ATOM 0 HG21 VAL A 145 5.032 6.567 -6.016 1.00 1.34 H new ATOM 0 HG22 VAL A 145 4.284 7.818 -7.039 1.00 1.34 H new ATOM 0 HG23 VAL A 145 5.389 6.623 -7.759 1.00 1.34 H new ATOM 2255 N GLN A 146 6.081 8.436 -10.097 1.00 0.68 N ATOM 2256 CA GLN A 146 6.240 7.679 -11.345 1.00 0.71 C ATOM 2257 C GLN A 146 6.243 6.182 -11.047 1.00 0.63 C ATOM 2258 O GLN A 146 7.219 5.473 -11.323 1.00 0.69 O ATOM 2259 CB GLN A 146 7.530 8.088 -12.069 1.00 0.86 C ATOM 2260 CG GLN A 146 7.913 9.552 -11.872 1.00 1.03 C ATOM 2261 CD GLN A 146 9.119 9.964 -12.692 1.00 1.30 C ATOM 2262 OE1 GLN A 146 8.981 10.454 -13.815 1.00 1.61 O ATOM 2263 NE2 GLN A 146 10.306 9.773 -12.141 1.00 1.95 N ATOM 0 H GLN A 146 5.308 9.102 -10.108 1.00 0.68 H new ATOM 0 HA GLN A 146 5.400 7.906 -12.001 1.00 0.71 H new ATOM 0 HB2 GLN A 146 8.347 7.458 -11.717 1.00 0.86 H new ATOM 0 HB3 GLN A 146 7.414 7.893 -13.135 1.00 0.86 H new ATOM 0 HG2 GLN A 146 7.065 10.183 -12.140 1.00 1.03 H new ATOM 0 HG3 GLN A 146 8.121 9.729 -10.817 1.00 1.03 H new ATOM 0 HE21 GLN A 146 10.376 9.364 -11.209 1.00 1.95 H new ATOM 0 HE22 GLN A 146 11.152 10.034 -12.648 1.00 1.95 H new ATOM 2272 N LEU A 147 5.145 5.719 -10.467 1.00 0.55 N ATOM 2273 CA LEU A 147 4.995 4.325 -10.079 1.00 0.49 C ATOM 2274 C LEU A 147 5.143 3.372 -11.258 1.00 0.50 C ATOM 2275 O LEU A 147 4.586 3.593 -12.338 1.00 0.62 O ATOM 2276 CB LEU A 147 3.641 4.114 -9.400 1.00 0.51 C ATOM 2277 CG LEU A 147 3.568 2.926 -8.443 1.00 0.46 C ATOM 2278 CD1 LEU A 147 4.690 2.997 -7.428 1.00 0.71 C ATOM 2279 CD2 LEU A 147 2.230 2.900 -7.731 1.00 0.55 C ATOM 0 H LEU A 147 4.334 6.299 -10.253 1.00 0.55 H new ATOM 0 HA LEU A 147 5.799 4.097 -9.379 1.00 0.49 H new ATOM 0 HB2 LEU A 147 3.384 5.019 -8.849 1.00 0.51 H new ATOM 0 HB3 LEU A 147 2.882 3.985 -10.172 1.00 0.51 H new ATOM 0 HG LEU A 147 3.675 2.010 -9.025 1.00 0.46 H new ATOM 0 HD11 LEU A 147 4.625 2.144 -6.753 1.00 0.71 H new ATOM 0 HD12 LEU A 147 5.650 2.978 -7.945 1.00 0.71 H new ATOM 0 HD13 LEU A 147 4.604 3.920 -6.855 1.00 0.71 H new ATOM 0 HD21 LEU A 147 2.195 2.047 -7.053 1.00 0.55 H new ATOM 0 HD22 LEU A 147 2.103 3.821 -7.162 1.00 0.55 H new ATOM 0 HD23 LEU A 147 1.429 2.813 -8.465 1.00 0.55 H new ATOM 2291 N ARG A 148 5.920 2.319 -11.039 1.00 0.53 N ATOM 2292 CA ARG A 148 6.154 1.299 -12.055 1.00 0.64 C ATOM 2293 C ARG A 148 5.400 0.016 -11.714 1.00 0.61 C ATOM 2294 O ARG A 148 4.846 -0.647 -12.592 1.00 1.08 O ATOM 2295 CB ARG A 148 7.649 0.986 -12.181 1.00 0.84 C ATOM 2296 CG ARG A 148 8.480 2.129 -12.741 1.00 1.02 C ATOM 2297 CD ARG A 148 7.931 2.630 -14.067 1.00 1.75 C ATOM 2298 NE ARG A 148 8.990 3.147 -14.940 1.00 2.46 N ATOM 2299 CZ ARG A 148 9.568 4.341 -14.797 1.00 3.34 C ATOM 2300 NH1 ARG A 148 9.200 5.158 -13.816 1.00 3.78 N1+ ATOM 2301 NH2 ARG A 148 10.523 4.722 -15.638 1.00 4.16 N ATOM 0 H ARG A 148 6.404 2.148 -10.157 1.00 0.53 H new ATOM 0 HA ARG A 148 5.790 1.690 -13.005 1.00 0.64 H new ATOM 0 HB2 ARG A 148 8.037 0.717 -11.198 1.00 0.84 H new ATOM 0 HB3 ARG A 148 7.773 0.113 -12.822 1.00 0.84 H new ATOM 0 HG2 ARG A 148 8.501 2.949 -12.023 1.00 1.02 H new ATOM 0 HG3 ARG A 148 9.510 1.798 -12.876 1.00 1.02 H new ATOM 0 HD2 ARG A 148 7.408 1.818 -14.573 1.00 1.75 H new ATOM 0 HD3 ARG A 148 7.198 3.415 -13.882 1.00 1.75 H new ATOM 0 HE ARG A 148 9.306 2.554 -15.708 1.00 2.46 H new ATOM 0 HH11 ARG A 148 8.469 4.875 -13.163 1.00 3.78 H new ATOM 0 HH12 ARG A 148 9.648 6.069 -13.716 1.00 3.78 H new ATOM 0 HH21 ARG A 148 10.815 4.102 -16.393 1.00 4.16 H new ATOM 0 HH22 ARG A 148 10.965 5.635 -15.528 1.00 4.16 H new ATOM 2315 N GLY A 149 5.390 -0.331 -10.438 1.00 0.49 N ATOM 2316 CA GLY A 149 4.709 -1.529 -10.000 1.00 0.45 C ATOM 2317 C GLY A 149 3.663 -1.210 -8.966 1.00 0.42 C ATOM 2318 O GLY A 149 3.731 -0.161 -8.334 1.00 0.68 O ATOM 0 H GLY A 149 5.844 0.199 -9.694 1.00 0.49 H new ATOM 0 HA2 GLY A 149 4.242 -2.019 -10.855 1.00 0.45 H new ATOM 0 HA3 GLY A 149 5.432 -2.231 -9.586 1.00 0.45 H new ATOM 2322 N VAL A 150 2.704 -2.101 -8.791 1.00 0.31 N ATOM 2323 CA VAL A 150 1.637 -1.874 -7.820 1.00 0.32 C ATOM 2324 C VAL A 150 2.160 -1.849 -6.376 1.00 0.33 C ATOM 2325 O VAL A 150 1.975 -0.855 -5.682 1.00 0.38 O ATOM 2326 CB VAL A 150 0.495 -2.912 -7.933 1.00 0.38 C ATOM 2327 CG1 VAL A 150 -0.816 -2.307 -7.475 1.00 0.45 C ATOM 2328 CG2 VAL A 150 0.369 -3.441 -9.352 1.00 0.49 C ATOM 0 H VAL A 150 2.637 -2.982 -9.301 1.00 0.31 H new ATOM 0 HA VAL A 150 1.233 -0.892 -8.065 1.00 0.32 H new ATOM 0 HB VAL A 150 0.740 -3.752 -7.283 1.00 0.38 H new ATOM 0 HG11 VAL A 150 -1.609 -3.050 -7.561 1.00 0.45 H new ATOM 0 HG12 VAL A 150 -0.727 -1.989 -6.436 1.00 0.45 H new ATOM 0 HG13 VAL A 150 -1.057 -1.446 -8.098 1.00 0.45 H new ATOM 0 HG21 VAL A 150 -0.442 -4.168 -9.399 1.00 0.49 H new ATOM 0 HG22 VAL A 150 0.155 -2.615 -10.031 1.00 0.49 H new ATOM 0 HG23 VAL A 150 1.303 -3.920 -9.646 1.00 0.49 H new ATOM 2338 N PRO A 151 2.826 -2.923 -5.896 1.00 0.35 N ATOM 2339 CA PRO A 151 3.348 -2.979 -4.531 1.00 0.41 C ATOM 2340 C PRO A 151 4.733 -2.341 -4.419 1.00 0.40 C ATOM 2341 O PRO A 151 5.757 -3.009 -4.589 1.00 0.56 O ATOM 2342 CB PRO A 151 3.420 -4.492 -4.239 1.00 0.50 C ATOM 2343 CG PRO A 151 3.047 -5.185 -5.513 1.00 0.53 C ATOM 2344 CD PRO A 151 3.146 -4.161 -6.606 1.00 0.37 C ATOM 0 HA PRO A 151 2.723 -2.428 -3.828 1.00 0.41 H new ATOM 0 HB2 PRO A 151 4.422 -4.779 -3.919 1.00 0.50 H new ATOM 0 HB3 PRO A 151 2.738 -4.765 -3.434 1.00 0.50 H new ATOM 0 HG2 PRO A 151 3.715 -6.024 -5.707 1.00 0.53 H new ATOM 0 HG3 PRO A 151 2.037 -5.590 -5.452 1.00 0.53 H new ATOM 0 HD2 PRO A 151 4.142 -4.132 -7.048 1.00 0.37 H new ATOM 0 HD3 PRO A 151 2.444 -4.360 -7.416 1.00 0.37 H new ATOM 2352 N ALA A 152 4.759 -1.047 -4.152 1.00 0.38 N ATOM 2353 CA ALA A 152 6.010 -0.316 -4.014 1.00 0.38 C ATOM 2354 C ALA A 152 6.015 0.499 -2.730 1.00 0.40 C ATOM 2355 O ALA A 152 4.957 0.872 -2.218 1.00 0.63 O ATOM 2356 CB ALA A 152 6.228 0.586 -5.218 1.00 0.40 C ATOM 0 H ALA A 152 3.923 -0.476 -4.025 1.00 0.38 H new ATOM 0 HA ALA A 152 6.828 -1.035 -3.965 1.00 0.38 H new ATOM 0 HB1 ALA A 152 7.167 1.127 -5.102 1.00 0.40 H new ATOM 0 HB2 ALA A 152 6.267 -0.019 -6.124 1.00 0.40 H new ATOM 0 HB3 ALA A 152 5.406 1.298 -5.293 1.00 0.40 H new ATOM 2362 N MET A 153 7.204 0.770 -2.214 1.00 0.32 N ATOM 2363 CA MET A 153 7.345 1.537 -0.988 1.00 0.31 C ATOM 2364 C MET A 153 8.301 2.707 -1.188 1.00 0.31 C ATOM 2365 O MET A 153 9.380 2.554 -1.761 1.00 0.34 O ATOM 2366 CB MET A 153 7.841 0.630 0.136 1.00 0.34 C ATOM 2367 CG MET A 153 7.603 1.190 1.526 1.00 0.35 C ATOM 2368 SD MET A 153 7.750 -0.068 2.809 1.00 0.38 S ATOM 2369 CE MET A 153 6.347 -1.111 2.422 1.00 0.42 C ATOM 0 H MET A 153 8.087 0.469 -2.627 1.00 0.32 H new ATOM 0 HA MET A 153 6.370 1.941 -0.715 1.00 0.31 H new ATOM 0 HB2 MET A 153 7.346 -0.338 0.055 1.00 0.34 H new ATOM 0 HB3 MET A 153 8.908 0.454 0.003 1.00 0.34 H new ATOM 0 HG2 MET A 153 8.319 1.989 1.720 1.00 0.35 H new ATOM 0 HG3 MET A 153 6.609 1.635 1.570 1.00 0.35 H new ATOM 0 HE1 MET A 153 6.196 -1.830 3.227 1.00 0.42 H new ATOM 0 HE2 MET A 153 5.454 -0.495 2.313 1.00 0.42 H new ATOM 0 HE3 MET A 153 6.536 -1.644 1.490 1.00 0.42 H new ATOM 2379 N PHE A 154 7.887 3.879 -0.728 1.00 0.33 N ATOM 2380 CA PHE A 154 8.697 5.082 -0.846 1.00 0.36 C ATOM 2381 C PHE A 154 8.915 5.703 0.522 1.00 0.38 C ATOM 2382 O PHE A 154 7.976 5.834 1.310 1.00 0.43 O ATOM 2383 CB PHE A 154 8.032 6.096 -1.779 1.00 0.39 C ATOM 2384 CG PHE A 154 7.896 5.614 -3.196 1.00 0.39 C ATOM 2385 CD1 PHE A 154 8.904 5.845 -4.117 1.00 0.45 C ATOM 2386 CD2 PHE A 154 6.763 4.930 -3.600 1.00 0.48 C ATOM 2387 CE1 PHE A 154 8.780 5.403 -5.420 1.00 0.48 C ATOM 2388 CE2 PHE A 154 6.635 4.486 -4.899 1.00 0.52 C ATOM 2389 CZ PHE A 154 7.645 4.721 -5.810 1.00 0.48 C ATOM 0 H PHE A 154 6.989 4.022 -0.267 1.00 0.33 H new ATOM 0 HA PHE A 154 9.662 4.803 -1.270 1.00 0.36 H new ATOM 0 HB2 PHE A 154 7.043 6.340 -1.391 1.00 0.39 H new ATOM 0 HB3 PHE A 154 8.613 7.018 -1.772 1.00 0.39 H new ATOM 0 HD1 PHE A 154 9.795 6.375 -3.814 1.00 0.45 H new ATOM 0 HD2 PHE A 154 5.971 4.742 -2.890 1.00 0.48 H new ATOM 0 HE1 PHE A 154 9.570 5.591 -6.132 1.00 0.48 H new ATOM 0 HE2 PHE A 154 5.745 3.955 -5.203 1.00 0.52 H new ATOM 0 HZ PHE A 154 7.547 4.372 -6.827 1.00 0.48 H new ATOM 2399 N VAL A 155 10.150 6.077 0.804 1.00 0.40 N ATOM 2400 CA VAL A 155 10.483 6.678 2.084 1.00 0.43 C ATOM 2401 C VAL A 155 10.639 8.189 1.960 1.00 0.46 C ATOM 2402 O VAL A 155 11.536 8.680 1.265 1.00 0.48 O ATOM 2403 CB VAL A 155 11.774 6.082 2.672 1.00 0.47 C ATOM 2404 CG1 VAL A 155 12.048 6.661 4.051 1.00 0.55 C ATOM 2405 CG2 VAL A 155 11.674 4.567 2.740 1.00 0.47 C ATOM 0 H VAL A 155 10.939 5.976 0.165 1.00 0.40 H new ATOM 0 HA VAL A 155 9.656 6.457 2.758 1.00 0.43 H new ATOM 0 HB VAL A 155 12.606 6.345 2.018 1.00 0.47 H new ATOM 0 HG11 VAL A 155 12.965 6.228 4.452 1.00 0.55 H new ATOM 0 HG12 VAL A 155 12.160 7.743 3.976 1.00 0.55 H new ATOM 0 HG13 VAL A 155 11.216 6.428 4.715 1.00 0.55 H new ATOM 0 HG21 VAL A 155 12.595 4.160 3.158 1.00 0.47 H new ATOM 0 HG22 VAL A 155 10.833 4.286 3.373 1.00 0.47 H new ATOM 0 HG23 VAL A 155 11.523 4.167 1.737 1.00 0.47 H new ATOM 2415 N ASN A 156 9.735 8.907 2.626 1.00 0.49 N ATOM 2416 CA ASN A 156 9.714 10.372 2.646 1.00 0.55 C ATOM 2417 C ASN A 156 9.564 10.960 1.247 1.00 0.54 C ATOM 2418 O ASN A 156 9.764 12.157 1.044 1.00 0.58 O ATOM 2419 CB ASN A 156 10.978 10.920 3.320 1.00 0.61 C ATOM 2420 CG ASN A 156 10.792 11.141 4.810 1.00 0.86 C ATOM 2421 OD1 ASN A 156 9.690 11.443 5.269 1.00 1.16 O ATOM 2422 ND2 ASN A 156 11.864 10.993 5.574 1.00 1.01 N ATOM 0 H ASN A 156 8.986 8.483 3.174 1.00 0.49 H new ATOM 0 HA ASN A 156 8.842 10.675 3.225 1.00 0.55 H new ATOM 0 HB2 ASN A 156 11.802 10.225 3.159 1.00 0.61 H new ATOM 0 HB3 ASN A 156 11.258 11.862 2.848 1.00 0.61 H new ATOM 0 HD21 ASN A 156 11.794 11.130 6.582 1.00 1.01 H new ATOM 0 HD22 ASN A 156 12.759 10.742 5.154 1.00 1.01 H new ATOM 2429 N GLY A 157 9.191 10.117 0.291 1.00 0.51 N ATOM 2430 CA GLY A 157 9.025 10.567 -1.075 1.00 0.52 C ATOM 2431 C GLY A 157 10.349 10.920 -1.725 1.00 0.53 C ATOM 2432 O GLY A 157 10.389 11.654 -2.710 1.00 0.56 O ATOM 0 H GLY A 157 9.000 9.126 0.440 1.00 0.51 H new ATOM 0 HA2 GLY A 157 8.533 9.787 -1.656 1.00 0.52 H new ATOM 0 HA3 GLY A 157 8.370 11.438 -1.092 1.00 0.52 H new ATOM 2436 N LYS A 158 11.436 10.393 -1.169 1.00 0.52 N ATOM 2437 CA LYS A 158 12.771 10.667 -1.690 1.00 0.55 C ATOM 2438 C LYS A 158 13.474 9.382 -2.110 1.00 0.53 C ATOM 2439 O LYS A 158 14.072 9.308 -3.185 1.00 0.58 O ATOM 2440 CB LYS A 158 13.623 11.377 -0.632 1.00 0.61 C ATOM 2441 CG LYS A 158 13.068 12.719 -0.181 1.00 0.75 C ATOM 2442 CD LYS A 158 13.554 13.084 1.215 1.00 0.96 C ATOM 2443 CE LYS A 158 15.069 13.039 1.310 1.00 1.30 C ATOM 2444 NZ LYS A 158 15.543 13.382 2.671 1.00 1.75 N1+ ATOM 0 H LYS A 158 11.418 9.774 -0.358 1.00 0.52 H new ATOM 0 HA LYS A 158 12.655 11.309 -2.563 1.00 0.55 H new ATOM 0 HB2 LYS A 158 13.719 10.726 0.237 1.00 0.61 H new ATOM 0 HB3 LYS A 158 14.626 11.527 -1.031 1.00 0.61 H new ATOM 0 HG2 LYS A 158 13.369 13.494 -0.886 1.00 0.75 H new ATOM 0 HG3 LYS A 158 11.979 12.685 -0.191 1.00 0.75 H new ATOM 0 HD2 LYS A 158 13.202 14.083 1.474 1.00 0.96 H new ATOM 0 HD3 LYS A 158 13.123 12.396 1.942 1.00 0.96 H new ATOM 0 HE2 LYS A 158 15.421 12.043 1.042 1.00 1.30 H new ATOM 0 HE3 LYS A 158 15.500 13.734 0.589 1.00 1.30 H new ATOM 0 HZ1 LYS A 158 16.582 13.341 2.697 1.00 1.75 H new ATOM 0 HZ2 LYS A 158 15.228 14.342 2.916 1.00 1.75 H new ATOM 0 HZ3 LYS A 158 15.152 12.704 3.356 1.00 1.75 H new ATOM 2458 N TYR A 159 13.399 8.374 -1.255 1.00 0.50 N ATOM 2459 CA TYR A 159 14.055 7.106 -1.520 1.00 0.49 C ATOM 2460 C TYR A 159 13.045 6.035 -1.900 1.00 0.44 C ATOM 2461 O TYR A 159 12.040 5.839 -1.211 1.00 0.45 O ATOM 2462 CB TYR A 159 14.857 6.660 -0.297 1.00 0.53 C ATOM 2463 CG TYR A 159 15.831 7.703 0.199 1.00 0.63 C ATOM 2464 CD1 TYR A 159 17.017 7.949 -0.477 1.00 0.75 C ATOM 2465 CD2 TYR A 159 15.557 8.444 1.341 1.00 0.73 C ATOM 2466 CE1 TYR A 159 17.908 8.908 -0.029 1.00 0.92 C ATOM 2467 CE2 TYR A 159 16.442 9.403 1.796 1.00 0.89 C ATOM 2468 CZ TYR A 159 17.616 9.632 1.109 1.00 0.96 C ATOM 2469 OH TYR A 159 18.493 10.592 1.556 1.00 1.16 O ATOM 0 H TYR A 159 12.890 8.411 -0.372 1.00 0.50 H new ATOM 0 HA TYR A 159 14.734 7.247 -2.361 1.00 0.49 H new ATOM 0 HB2 TYR A 159 14.167 6.407 0.508 1.00 0.53 H new ATOM 0 HB3 TYR A 159 15.405 5.751 -0.544 1.00 0.53 H new ATOM 0 HD1 TYR A 159 17.249 7.383 -1.367 1.00 0.75 H new ATOM 0 HD2 TYR A 159 14.639 8.268 1.882 1.00 0.73 H new ATOM 0 HE1 TYR A 159 18.827 9.089 -0.567 1.00 0.92 H new ATOM 0 HE2 TYR A 159 16.215 9.971 2.686 1.00 0.89 H new ATOM 0 HH TYR A 159 18.136 11.009 2.368 1.00 1.16 H new ATOM 2479 N GLN A 160 13.319 5.355 -3.000 1.00 0.43 N ATOM 2480 CA GLN A 160 12.463 4.290 -3.489 1.00 0.40 C ATOM 2481 C GLN A 160 13.127 2.948 -3.243 1.00 0.40 C ATOM 2482 O GLN A 160 14.332 2.809 -3.427 1.00 0.46 O ATOM 2483 CB GLN A 160 12.206 4.466 -4.988 1.00 0.44 C ATOM 2484 CG GLN A 160 11.631 3.224 -5.653 1.00 0.48 C ATOM 2485 CD GLN A 160 12.048 3.082 -7.105 1.00 0.72 C ATOM 2486 OE1 GLN A 160 13.089 3.594 -7.521 1.00 0.98 O ATOM 2487 NE2 GLN A 160 11.248 2.370 -7.884 1.00 0.91 N ATOM 0 H GLN A 160 14.141 5.526 -3.579 1.00 0.43 H new ATOM 0 HA GLN A 160 11.512 4.329 -2.958 1.00 0.40 H new ATOM 0 HB2 GLN A 160 11.519 5.299 -5.136 1.00 0.44 H new ATOM 0 HB3 GLN A 160 13.141 4.733 -5.480 1.00 0.44 H new ATOM 0 HG2 GLN A 160 11.952 2.341 -5.100 1.00 0.48 H new ATOM 0 HG3 GLN A 160 10.543 3.258 -5.595 1.00 0.48 H new ATOM 0 HE21 GLN A 160 10.395 1.962 -7.502 1.00 0.91 H new ATOM 0 HE22 GLN A 160 11.485 2.229 -8.866 1.00 0.91 H new ATOM 2496 N LEU A 161 12.355 1.968 -2.816 1.00 0.39 N ATOM 2497 CA LEU A 161 12.904 0.647 -2.573 1.00 0.40 C ATOM 2498 C LEU A 161 12.800 -0.205 -3.825 1.00 0.37 C ATOM 2499 O LEU A 161 11.746 -0.257 -4.466 1.00 0.37 O ATOM 2500 CB LEU A 161 12.190 -0.039 -1.412 1.00 0.45 C ATOM 2501 CG LEU A 161 12.830 0.177 -0.041 1.00 0.51 C ATOM 2502 CD1 LEU A 161 12.408 1.512 0.547 1.00 1.13 C ATOM 2503 CD2 LEU A 161 12.464 -0.962 0.897 1.00 1.20 C ATOM 0 H LEU A 161 11.356 2.058 -2.631 1.00 0.39 H new ATOM 0 HA LEU A 161 13.955 0.762 -2.307 1.00 0.40 H new ATOM 0 HB2 LEU A 161 11.161 0.318 -1.376 1.00 0.45 H new ATOM 0 HB3 LEU A 161 12.149 -1.110 -1.612 1.00 0.45 H new ATOM 0 HG LEU A 161 13.913 0.190 -0.165 1.00 0.51 H new ATOM 0 HD11 LEU A 161 12.876 1.644 1.523 1.00 1.13 H new ATOM 0 HD12 LEU A 161 12.721 2.317 -0.117 1.00 1.13 H new ATOM 0 HD13 LEU A 161 11.324 1.534 0.658 1.00 1.13 H new ATOM 0 HD21 LEU A 161 12.927 -0.795 1.870 1.00 1.20 H new ATOM 0 HD22 LEU A 161 11.381 -1.004 1.013 1.00 1.20 H new ATOM 0 HD23 LEU A 161 12.822 -1.904 0.482 1.00 1.20 H new ATOM 2515 N ASN A 162 13.890 -0.865 -4.176 1.00 0.40 N ATOM 2516 CA ASN A 162 13.917 -1.712 -5.359 1.00 0.41 C ATOM 2517 C ASN A 162 14.036 -3.175 -4.961 1.00 0.41 C ATOM 2518 O ASN A 162 15.132 -3.668 -4.693 1.00 0.45 O ATOM 2519 CB ASN A 162 15.077 -1.323 -6.281 1.00 0.50 C ATOM 2520 CG ASN A 162 15.112 -2.145 -7.561 1.00 0.56 C ATOM 2521 OD1 ASN A 162 14.089 -2.660 -8.016 1.00 0.62 O ATOM 2522 ND2 ASN A 162 16.292 -2.276 -8.151 1.00 0.72 N ATOM 0 H ASN A 162 14.769 -0.832 -3.660 1.00 0.40 H new ATOM 0 HA ASN A 162 12.982 -1.568 -5.900 1.00 0.41 H new ATOM 0 HB2 ASN A 162 14.995 -0.266 -6.535 1.00 0.50 H new ATOM 0 HB3 ASN A 162 16.019 -1.450 -5.747 1.00 0.50 H new ATOM 0 HD21 ASN A 162 16.375 -2.818 -9.011 1.00 0.72 H new ATOM 0 HD22 ASN A 162 17.117 -1.835 -7.745 1.00 0.72 H new ATOM 2529 N PRO A 163 12.903 -3.891 -4.919 1.00 0.41 N ATOM 2530 CA PRO A 163 12.885 -5.308 -4.555 1.00 0.43 C ATOM 2531 C PRO A 163 13.567 -6.175 -5.613 1.00 0.45 C ATOM 2532 O PRO A 163 13.974 -7.304 -5.341 1.00 0.52 O ATOM 2533 CB PRO A 163 11.394 -5.644 -4.459 1.00 0.46 C ATOM 2534 CG PRO A 163 10.687 -4.594 -5.246 1.00 0.54 C ATOM 2535 CD PRO A 163 11.559 -3.369 -5.221 1.00 0.43 C ATOM 0 HA PRO A 163 13.428 -5.500 -3.629 1.00 0.43 H new ATOM 0 HB2 PRO A 163 11.191 -6.637 -4.861 1.00 0.46 H new ATOM 0 HB3 PRO A 163 11.060 -5.646 -3.421 1.00 0.46 H new ATOM 0 HG2 PRO A 163 10.518 -4.927 -6.270 1.00 0.54 H new ATOM 0 HG3 PRO A 163 9.709 -4.381 -4.815 1.00 0.54 H new ATOM 0 HD2 PRO A 163 11.540 -2.846 -6.177 1.00 0.43 H new ATOM 0 HD3 PRO A 163 11.227 -2.659 -4.463 1.00 0.43 H new ATOM 2543 N GLN A 164 13.707 -5.627 -6.816 1.00 0.48 N ATOM 2544 CA GLN A 164 14.339 -6.341 -7.915 1.00 0.53 C ATOM 2545 C GLN A 164 15.858 -6.318 -7.766 1.00 0.54 C ATOM 2546 O GLN A 164 16.571 -6.996 -8.504 1.00 0.68 O ATOM 2547 CB GLN A 164 13.931 -5.728 -9.258 1.00 0.62 C ATOM 2548 CG GLN A 164 12.485 -6.006 -9.641 1.00 0.86 C ATOM 2549 CD GLN A 164 12.359 -7.062 -10.724 1.00 1.41 C ATOM 2550 OE1 GLN A 164 12.322 -6.742 -11.910 1.00 2.22 O ATOM 2551 NE2 GLN A 164 12.294 -8.322 -10.326 1.00 1.82 N ATOM 0 H GLN A 164 13.389 -4.687 -7.053 1.00 0.48 H new ATOM 0 HA GLN A 164 14.002 -7.377 -7.888 1.00 0.53 H new ATOM 0 HB2 GLN A 164 14.086 -4.650 -9.218 1.00 0.62 H new ATOM 0 HB3 GLN A 164 14.586 -6.116 -10.039 1.00 0.62 H new ATOM 0 HG2 GLN A 164 11.935 -6.330 -8.757 1.00 0.86 H new ATOM 0 HG3 GLN A 164 12.020 -5.082 -9.984 1.00 0.86 H new ATOM 0 HE21 GLN A 164 12.328 -8.545 -9.331 1.00 1.82 H new ATOM 0 HE22 GLN A 164 12.210 -9.070 -11.014 1.00 1.82 H new ATOM 2560 N GLY A 165 16.347 -5.541 -6.806 1.00 0.51 N ATOM 2561 CA GLY A 165 17.775 -5.445 -6.578 1.00 0.54 C ATOM 2562 C GLY A 165 18.177 -5.981 -5.221 1.00 0.50 C ATOM 2563 O GLY A 165 19.286 -5.733 -4.747 1.00 0.59 O ATOM 0 H GLY A 165 15.776 -4.974 -6.179 1.00 0.51 H new ATOM 0 HA2 GLY A 165 18.303 -5.997 -7.355 1.00 0.54 H new ATOM 0 HA3 GLY A 165 18.085 -4.403 -6.661 1.00 0.54 H new ATOM 2567 N MET A 166 17.271 -6.711 -4.589 1.00 0.45 N ATOM 2568 CA MET A 166 17.545 -7.287 -3.279 1.00 0.45 C ATOM 2569 C MET A 166 17.861 -8.772 -3.414 1.00 0.48 C ATOM 2570 O MET A 166 17.892 -9.300 -4.530 1.00 0.57 O ATOM 2571 CB MET A 166 16.363 -7.062 -2.333 1.00 0.43 C ATOM 2572 CG MET A 166 16.142 -5.598 -1.999 1.00 0.43 C ATOM 2573 SD MET A 166 14.914 -5.341 -0.709 1.00 0.48 S ATOM 2574 CE MET A 166 15.065 -3.573 -0.464 1.00 0.49 C ATOM 0 H MET A 166 16.343 -6.919 -4.959 1.00 0.45 H new ATOM 0 HA MET A 166 18.415 -6.788 -2.852 1.00 0.45 H new ATOM 0 HB2 MET A 166 15.459 -7.466 -2.788 1.00 0.43 H new ATOM 0 HB3 MET A 166 16.532 -7.618 -1.411 1.00 0.43 H new ATOM 0 HG2 MET A 166 17.088 -5.157 -1.684 1.00 0.43 H new ATOM 0 HG3 MET A 166 15.829 -5.070 -2.900 1.00 0.43 H new ATOM 0 HE1 MET A 166 15.231 -3.365 0.593 1.00 0.49 H new ATOM 0 HE2 MET A 166 15.907 -3.196 -1.045 1.00 0.49 H new ATOM 0 HE3 MET A 166 14.149 -3.081 -0.791 1.00 0.49 H new ATOM 2584 N ASP A 167 18.110 -9.444 -2.293 1.00 0.55 N ATOM 2585 CA ASP A 167 18.439 -10.866 -2.329 1.00 0.62 C ATOM 2586 C ASP A 167 17.225 -11.701 -2.690 1.00 0.62 C ATOM 2587 O ASP A 167 16.213 -11.691 -1.995 1.00 0.79 O ATOM 2588 CB ASP A 167 19.004 -11.357 -0.994 1.00 0.80 C ATOM 2589 CG ASP A 167 19.528 -12.778 -1.097 1.00 0.94 C ATOM 2590 OD1 ASP A 167 20.658 -12.964 -1.600 1.00 1.38 O ATOM 2591 OD2 ASP A 167 18.806 -13.722 -0.696 1.00 1.54 O1- ATOM 0 H ASP A 167 18.091 -9.033 -1.360 1.00 0.55 H new ATOM 0 HA ASP A 167 19.204 -10.986 -3.097 1.00 0.62 H new ATOM 0 HB2 ASP A 167 19.808 -10.695 -0.673 1.00 0.80 H new ATOM 0 HB3 ASP A 167 18.228 -11.309 -0.230 1.00 0.80 H new ATOM 2596 N THR A 168 17.339 -12.418 -3.788 1.00 0.67 N ATOM 2597 CA THR A 168 16.273 -13.275 -4.254 1.00 0.79 C ATOM 2598 C THR A 168 16.681 -14.734 -4.079 1.00 0.86 C ATOM 2599 O THR A 168 16.166 -15.631 -4.744 1.00 1.04 O ATOM 2600 CB THR A 168 15.953 -12.978 -5.730 1.00 0.92 C ATOM 2601 OG1 THR A 168 16.231 -11.598 -6.002 1.00 1.03 O ATOM 2602 CG2 THR A 168 14.493 -13.275 -6.050 1.00 1.16 C ATOM 0 H THR A 168 18.170 -12.423 -4.379 1.00 0.67 H new ATOM 0 HA THR A 168 15.375 -13.083 -3.667 1.00 0.79 H new ATOM 0 HB THR A 168 16.574 -13.620 -6.355 1.00 0.92 H new ATOM 0 HG1 THR A 168 16.031 -11.403 -6.941 1.00 1.03 H new ATOM 0 HG21 THR A 168 14.299 -13.055 -7.100 1.00 1.16 H new ATOM 0 HG22 THR A 168 14.284 -14.327 -5.855 1.00 1.16 H new ATOM 0 HG23 THR A 168 13.850 -12.656 -5.425 1.00 1.16 H new ATOM 2610 N SER A 169 17.624 -14.955 -3.171 1.00 0.82 N ATOM 2611 CA SER A 169 18.119 -16.290 -2.883 1.00 0.89 C ATOM 2612 C SER A 169 17.312 -16.913 -1.750 1.00 0.80 C ATOM 2613 O SER A 169 16.808 -18.032 -1.869 1.00 0.93 O ATOM 2614 CB SER A 169 19.600 -16.224 -2.495 1.00 1.01 C ATOM 2615 OG SER A 169 20.257 -15.151 -3.156 1.00 1.53 O ATOM 0 H SER A 169 18.063 -14.218 -2.619 1.00 0.82 H new ATOM 0 HA SER A 169 18.012 -16.908 -3.774 1.00 0.89 H new ATOM 0 HB2 SER A 169 19.691 -16.100 -1.416 1.00 1.01 H new ATOM 0 HB3 SER A 169 20.088 -17.165 -2.750 1.00 1.01 H new ATOM 0 HG SER A 169 20.507 -14.467 -2.500 1.00 1.53 H new ATOM 2621 N ASN A 170 17.188 -16.178 -0.652 1.00 0.68 N ATOM 2622 CA ASN A 170 16.441 -16.653 0.502 1.00 0.69 C ATOM 2623 C ASN A 170 15.264 -15.727 0.784 1.00 0.63 C ATOM 2624 O ASN A 170 15.443 -14.530 1.018 1.00 0.60 O ATOM 2625 CB ASN A 170 17.356 -16.748 1.727 1.00 0.80 C ATOM 2626 CG ASN A 170 16.752 -17.562 2.857 1.00 0.91 C ATOM 2627 OD1 ASN A 170 15.546 -17.519 3.103 1.00 1.21 O ATOM 2628 ND2 ASN A 170 17.591 -18.303 3.558 1.00 1.14 N ATOM 0 H ASN A 170 17.596 -15.250 -0.538 1.00 0.68 H new ATOM 0 HA ASN A 170 16.055 -17.649 0.284 1.00 0.69 H new ATOM 0 HB2 ASN A 170 18.305 -17.196 1.431 1.00 0.80 H new ATOM 0 HB3 ASN A 170 17.576 -15.743 2.088 1.00 0.80 H new ATOM 0 HD21 ASN A 170 17.247 -18.867 4.335 1.00 1.14 H new ATOM 0 HD22 ASN A 170 18.583 -18.311 3.322 1.00 1.14 H new ATOM 2635 N MET A 171 14.063 -16.296 0.767 1.00 0.67 N ATOM 2636 CA MET A 171 12.832 -15.538 1.001 1.00 0.66 C ATOM 2637 C MET A 171 12.831 -14.863 2.371 1.00 0.59 C ATOM 2638 O MET A 171 12.372 -13.731 2.510 1.00 0.55 O ATOM 2639 CB MET A 171 11.617 -16.462 0.883 1.00 0.78 C ATOM 2640 CG MET A 171 11.309 -16.894 -0.542 1.00 0.95 C ATOM 2641 SD MET A 171 10.249 -15.721 -1.410 1.00 1.54 S ATOM 2642 CE MET A 171 8.661 -16.104 -0.679 1.00 1.96 C ATOM 0 H MET A 171 13.912 -17.290 0.592 1.00 0.67 H new ATOM 0 HA MET A 171 12.779 -14.757 0.242 1.00 0.66 H new ATOM 0 HB2 MET A 171 11.787 -17.349 1.493 1.00 0.78 H new ATOM 0 HB3 MET A 171 10.745 -15.954 1.295 1.00 0.78 H new ATOM 0 HG2 MET A 171 12.243 -17.010 -1.092 1.00 0.95 H new ATOM 0 HG3 MET A 171 10.826 -17.871 -0.525 1.00 0.95 H new ATOM 0 HE1 MET A 171 7.873 -15.592 -1.232 1.00 1.96 H new ATOM 0 HE2 MET A 171 8.492 -17.180 -0.719 1.00 1.96 H new ATOM 0 HE3 MET A 171 8.649 -15.773 0.359 1.00 1.96 H new ATOM 2652 N ASP A 172 13.366 -15.555 3.375 1.00 0.63 N ATOM 2653 CA ASP A 172 13.414 -15.025 4.738 1.00 0.62 C ATOM 2654 C ASP A 172 14.331 -13.814 4.812 1.00 0.54 C ATOM 2655 O ASP A 172 14.150 -12.928 5.650 1.00 0.57 O ATOM 2656 CB ASP A 172 13.889 -16.098 5.715 1.00 0.70 C ATOM 2657 CG ASP A 172 12.763 -16.642 6.574 1.00 1.26 C ATOM 2658 OD1 ASP A 172 12.221 -15.883 7.408 1.00 2.05 O1- ATOM 2659 OD2 ASP A 172 12.423 -17.835 6.426 1.00 1.82 O ATOM 0 H ASP A 172 13.773 -16.485 3.271 1.00 0.63 H new ATOM 0 HA ASP A 172 12.406 -14.718 5.016 1.00 0.62 H new ATOM 0 HB2 ASP A 172 14.344 -16.917 5.157 1.00 0.70 H new ATOM 0 HB3 ASP A 172 14.664 -15.681 6.359 1.00 0.70 H new ATOM 2664 N VAL A 173 15.314 -13.785 3.922 1.00 0.51 N ATOM 2665 CA VAL A 173 16.265 -12.691 3.856 1.00 0.49 C ATOM 2666 C VAL A 173 15.625 -11.499 3.163 1.00 0.42 C ATOM 2667 O VAL A 173 15.708 -10.373 3.650 1.00 0.43 O ATOM 2668 CB VAL A 173 17.549 -13.111 3.103 1.00 0.55 C ATOM 2669 CG1 VAL A 173 18.440 -11.909 2.809 1.00 0.58 C ATOM 2670 CG2 VAL A 173 18.309 -14.162 3.897 1.00 0.65 C ATOM 0 H VAL A 173 15.472 -14.517 3.230 1.00 0.51 H new ATOM 0 HA VAL A 173 16.544 -12.417 4.873 1.00 0.49 H new ATOM 0 HB VAL A 173 17.252 -13.543 2.147 1.00 0.55 H new ATOM 0 HG11 VAL A 173 19.333 -12.239 2.279 1.00 0.58 H new ATOM 0 HG12 VAL A 173 17.895 -11.195 2.192 1.00 0.58 H new ATOM 0 HG13 VAL A 173 18.729 -11.433 3.746 1.00 0.58 H new ATOM 0 HG21 VAL A 173 19.210 -14.447 3.354 1.00 0.65 H new ATOM 0 HG22 VAL A 173 18.585 -13.754 4.869 1.00 0.65 H new ATOM 0 HG23 VAL A 173 17.677 -15.039 4.038 1.00 0.65 H new ATOM 2680 N PHE A 174 14.958 -11.763 2.041 1.00 0.42 N ATOM 2681 CA PHE A 174 14.293 -10.715 1.268 1.00 0.38 C ATOM 2682 C PHE A 174 13.303 -9.929 2.129 1.00 0.35 C ATOM 2683 O PHE A 174 13.339 -8.697 2.157 1.00 0.35 O ATOM 2684 CB PHE A 174 13.569 -11.314 0.061 1.00 0.41 C ATOM 2685 CG PHE A 174 12.804 -10.303 -0.744 1.00 0.39 C ATOM 2686 CD1 PHE A 174 13.468 -9.416 -1.574 1.00 0.42 C ATOM 2687 CD2 PHE A 174 11.422 -10.246 -0.674 1.00 0.44 C ATOM 2688 CE1 PHE A 174 12.768 -8.492 -2.322 1.00 0.45 C ATOM 2689 CE2 PHE A 174 10.716 -9.323 -1.418 1.00 0.47 C ATOM 2690 CZ PHE A 174 11.390 -8.445 -2.243 1.00 0.45 C ATOM 0 H PHE A 174 14.863 -12.698 1.645 1.00 0.42 H new ATOM 0 HA PHE A 174 15.063 -10.028 0.918 1.00 0.38 H new ATOM 0 HB2 PHE A 174 14.299 -11.803 -0.584 1.00 0.41 H new ATOM 0 HB3 PHE A 174 12.882 -12.086 0.407 1.00 0.41 H new ATOM 0 HD1 PHE A 174 14.546 -9.448 -1.637 1.00 0.42 H new ATOM 0 HD2 PHE A 174 10.891 -10.931 -0.030 1.00 0.44 H new ATOM 0 HE1 PHE A 174 13.297 -7.807 -2.968 1.00 0.45 H new ATOM 0 HE2 PHE A 174 9.638 -9.288 -1.355 1.00 0.47 H new ATOM 0 HZ PHE A 174 10.840 -7.722 -2.826 1.00 0.45 H new ATOM 2700 N VAL A 175 12.430 -10.650 2.827 1.00 0.37 N ATOM 2701 CA VAL A 175 11.425 -10.031 3.690 1.00 0.37 C ATOM 2702 C VAL A 175 12.072 -9.098 4.712 1.00 0.35 C ATOM 2703 O VAL A 175 11.614 -7.971 4.922 1.00 0.36 O ATOM 2704 CB VAL A 175 10.586 -11.094 4.435 1.00 0.41 C ATOM 2705 CG1 VAL A 175 9.572 -10.439 5.364 1.00 0.48 C ATOM 2706 CG2 VAL A 175 9.878 -12.004 3.447 1.00 0.45 C ATOM 0 H VAL A 175 12.398 -11.669 2.812 1.00 0.37 H new ATOM 0 HA VAL A 175 10.768 -9.452 3.041 1.00 0.37 H new ATOM 0 HB VAL A 175 11.267 -11.693 5.039 1.00 0.41 H new ATOM 0 HG11 VAL A 175 8.996 -11.210 5.875 1.00 0.48 H new ATOM 0 HG12 VAL A 175 10.095 -9.828 6.100 1.00 0.48 H new ATOM 0 HG13 VAL A 175 8.899 -9.809 4.782 1.00 0.48 H new ATOM 0 HG21 VAL A 175 9.293 -12.746 3.990 1.00 0.45 H new ATOM 0 HG22 VAL A 175 9.216 -11.411 2.816 1.00 0.45 H new ATOM 0 HG23 VAL A 175 10.616 -12.510 2.825 1.00 0.45 H new ATOM 2716 N GLN A 176 13.149 -9.563 5.329 1.00 0.37 N ATOM 2717 CA GLN A 176 13.847 -8.772 6.330 1.00 0.39 C ATOM 2718 C GLN A 176 14.597 -7.609 5.692 1.00 0.38 C ATOM 2719 O GLN A 176 14.509 -6.483 6.167 1.00 0.40 O ATOM 2720 CB GLN A 176 14.818 -9.641 7.129 1.00 0.44 C ATOM 2721 CG GLN A 176 14.166 -10.369 8.292 1.00 0.64 C ATOM 2722 CD GLN A 176 13.455 -9.426 9.242 1.00 0.81 C ATOM 2723 OE1 GLN A 176 14.071 -8.837 10.130 1.00 1.70 O ATOM 2724 NE2 GLN A 176 12.149 -9.291 9.069 1.00 1.11 N ATOM 0 H GLN A 176 13.557 -10.481 5.154 1.00 0.37 H new ATOM 0 HA GLN A 176 13.096 -8.367 7.008 1.00 0.39 H new ATOM 0 HB2 GLN A 176 15.271 -10.373 6.461 1.00 0.44 H new ATOM 0 HB3 GLN A 176 15.625 -9.014 7.510 1.00 0.44 H new ATOM 0 HG2 GLN A 176 13.453 -11.097 7.906 1.00 0.64 H new ATOM 0 HG3 GLN A 176 14.926 -10.926 8.840 1.00 0.64 H new ATOM 0 HE21 GLN A 176 11.679 -9.798 8.320 1.00 1.11 H new ATOM 0 HE22 GLN A 176 11.613 -8.679 9.685 1.00 1.11 H new ATOM 2733 N GLN A 177 15.318 -7.889 4.610 1.00 0.37 N ATOM 2734 CA GLN A 177 16.094 -6.870 3.913 1.00 0.39 C ATOM 2735 C GLN A 177 15.207 -5.708 3.468 1.00 0.37 C ATOM 2736 O GLN A 177 15.559 -4.546 3.664 1.00 0.39 O ATOM 2737 CB GLN A 177 16.812 -7.476 2.704 1.00 0.42 C ATOM 2738 CG GLN A 177 18.056 -6.704 2.290 1.00 0.56 C ATOM 2739 CD GLN A 177 18.903 -7.457 1.281 1.00 0.58 C ATOM 2740 OE1 GLN A 177 18.385 -8.163 0.417 1.00 1.02 O ATOM 2741 NE2 GLN A 177 20.214 -7.315 1.389 1.00 1.32 N ATOM 0 H GLN A 177 15.380 -8.819 4.196 1.00 0.37 H new ATOM 0 HA GLN A 177 16.838 -6.484 4.610 1.00 0.39 H new ATOM 0 HB2 GLN A 177 17.091 -8.504 2.935 1.00 0.42 H new ATOM 0 HB3 GLN A 177 16.121 -7.515 1.862 1.00 0.42 H new ATOM 0 HG2 GLN A 177 17.759 -5.745 1.865 1.00 0.56 H new ATOM 0 HG3 GLN A 177 18.656 -6.489 3.174 1.00 0.56 H new ATOM 0 HE21 GLN A 177 20.604 -6.720 2.120 1.00 1.32 H new ATOM 0 HE22 GLN A 177 20.835 -7.801 0.741 1.00 1.32 H new ATOM 2750 N TYR A 178 14.058 -6.026 2.883 1.00 0.36 N ATOM 2751 CA TYR A 178 13.125 -5.005 2.418 1.00 0.36 C ATOM 2752 C TYR A 178 12.673 -4.113 3.574 1.00 0.36 C ATOM 2753 O TYR A 178 12.853 -2.895 3.533 1.00 0.39 O ATOM 2754 CB TYR A 178 11.910 -5.660 1.748 1.00 0.37 C ATOM 2755 CG TYR A 178 11.127 -4.734 0.838 1.00 0.36 C ATOM 2756 CD1 TYR A 178 10.131 -3.907 1.342 1.00 0.40 C ATOM 2757 CD2 TYR A 178 11.381 -4.693 -0.528 1.00 0.44 C ATOM 2758 CE1 TYR A 178 9.411 -3.065 0.510 1.00 0.42 C ATOM 2759 CE2 TYR A 178 10.668 -3.855 -1.363 1.00 0.46 C ATOM 2760 CZ TYR A 178 9.684 -3.042 -0.840 1.00 0.40 C ATOM 2761 OH TYR A 178 8.967 -2.210 -1.672 1.00 0.45 O ATOM 0 H TYR A 178 13.749 -6.984 2.719 1.00 0.36 H new ATOM 0 HA TYR A 178 13.639 -4.382 1.686 1.00 0.36 H new ATOM 0 HB2 TYR A 178 12.248 -6.519 1.169 1.00 0.37 H new ATOM 0 HB3 TYR A 178 11.243 -6.040 2.522 1.00 0.37 H new ATOM 0 HD1 TYR A 178 9.914 -3.921 2.400 1.00 0.40 H new ATOM 0 HD2 TYR A 178 12.150 -5.328 -0.944 1.00 0.44 H new ATOM 0 HE1 TYR A 178 8.639 -2.429 0.918 1.00 0.42 H new ATOM 0 HE2 TYR A 178 10.880 -3.836 -2.422 1.00 0.46 H new ATOM 0 HH TYR A 178 9.285 -2.315 -2.593 1.00 0.45 H new ATOM 2771 N ALA A 179 12.122 -4.731 4.612 1.00 0.35 N ATOM 2772 CA ALA A 179 11.632 -3.994 5.774 1.00 0.37 C ATOM 2773 C ALA A 179 12.751 -3.239 6.489 1.00 0.39 C ATOM 2774 O ALA A 179 12.556 -2.112 6.952 1.00 0.43 O ATOM 2775 CB ALA A 179 10.937 -4.948 6.738 1.00 0.39 C ATOM 0 H ALA A 179 12.003 -5.742 4.674 1.00 0.35 H new ATOM 0 HA ALA A 179 10.918 -3.251 5.418 1.00 0.37 H new ATOM 0 HB1 ALA A 179 10.574 -4.392 7.602 1.00 0.39 H new ATOM 0 HB2 ALA A 179 10.096 -5.425 6.235 1.00 0.39 H new ATOM 0 HB3 ALA A 179 11.643 -5.710 7.068 1.00 0.39 H new ATOM 2781 N ASP A 180 13.928 -3.847 6.562 1.00 0.39 N ATOM 2782 CA ASP A 180 15.063 -3.225 7.237 1.00 0.44 C ATOM 2783 C ASP A 180 15.566 -2.020 6.461 1.00 0.44 C ATOM 2784 O ASP A 180 16.029 -1.041 7.056 1.00 0.49 O ATOM 2785 CB ASP A 180 16.193 -4.226 7.432 1.00 0.48 C ATOM 2786 CG ASP A 180 16.782 -4.140 8.823 1.00 0.80 C ATOM 2787 OD1 ASP A 180 16.212 -4.758 9.749 1.00 1.55 O ATOM 2788 OD2 ASP A 180 17.811 -3.455 9.003 1.00 1.40 O1- ATOM 0 H ASP A 180 14.123 -4.766 6.165 1.00 0.39 H new ATOM 0 HA ASP A 180 14.720 -2.889 8.216 1.00 0.44 H new ATOM 0 HB2 ASP A 180 15.820 -5.235 7.256 1.00 0.48 H new ATOM 0 HB3 ASP A 180 16.974 -4.042 6.694 1.00 0.48 H new ATOM 2793 N THR A 181 15.480 -2.091 5.135 1.00 0.42 N ATOM 2794 CA THR A 181 15.910 -0.986 4.291 1.00 0.43 C ATOM 2795 C THR A 181 15.018 0.229 4.544 1.00 0.42 C ATOM 2796 O THR A 181 15.496 1.365 4.596 1.00 0.45 O ATOM 2797 CB THR A 181 15.887 -1.363 2.790 1.00 0.44 C ATOM 2798 OG1 THR A 181 16.732 -2.494 2.556 1.00 0.47 O ATOM 2799 CG2 THR A 181 16.356 -0.206 1.918 1.00 0.48 C ATOM 0 H THR A 181 15.118 -2.898 4.627 1.00 0.42 H new ATOM 0 HA THR A 181 16.941 -0.746 4.550 1.00 0.43 H new ATOM 0 HB THR A 181 14.857 -1.603 2.527 1.00 0.44 H new ATOM 0 HG1 THR A 181 16.446 -3.239 3.124 1.00 0.47 H new ATOM 0 HG21 THR A 181 16.327 -0.505 0.870 1.00 0.48 H new ATOM 0 HG22 THR A 181 15.701 0.652 2.068 1.00 0.48 H new ATOM 0 HG23 THR A 181 17.376 0.065 2.190 1.00 0.48 H new ATOM 2807 N VAL A 182 13.721 -0.022 4.719 1.00 0.40 N ATOM 2808 CA VAL A 182 12.769 1.046 5.003 1.00 0.40 C ATOM 2809 C VAL A 182 13.152 1.745 6.300 1.00 0.44 C ATOM 2810 O VAL A 182 13.192 2.969 6.370 1.00 0.48 O ATOM 2811 CB VAL A 182 11.319 0.526 5.131 1.00 0.40 C ATOM 2812 CG1 VAL A 182 10.337 1.683 5.136 1.00 0.43 C ATOM 2813 CG2 VAL A 182 10.989 -0.439 4.007 1.00 0.39 C ATOM 0 H VAL A 182 13.308 -0.953 4.669 1.00 0.40 H new ATOM 0 HA VAL A 182 12.807 1.738 4.162 1.00 0.40 H new ATOM 0 HB VAL A 182 11.234 -0.008 6.077 1.00 0.40 H new ATOM 0 HG11 VAL A 182 9.321 1.298 5.227 1.00 0.43 H new ATOM 0 HG12 VAL A 182 10.553 2.340 5.979 1.00 0.43 H new ATOM 0 HG13 VAL A 182 10.431 2.244 4.206 1.00 0.43 H new ATOM 0 HG21 VAL A 182 9.964 -0.791 4.119 1.00 0.39 H new ATOM 0 HG22 VAL A 182 11.096 0.069 3.048 1.00 0.39 H new ATOM 0 HG23 VAL A 182 11.671 -1.289 4.045 1.00 0.39 H new ATOM 2823 N LYS A 183 13.446 0.949 7.321 1.00 0.44 N ATOM 2824 CA LYS A 183 13.841 1.471 8.626 1.00 0.50 C ATOM 2825 C LYS A 183 15.123 2.293 8.507 1.00 0.53 C ATOM 2826 O LYS A 183 15.244 3.365 9.103 1.00 0.60 O ATOM 2827 CB LYS A 183 14.041 0.316 9.607 1.00 0.53 C ATOM 2828 CG LYS A 183 14.380 0.753 11.024 1.00 0.60 C ATOM 2829 CD LYS A 183 14.422 -0.435 11.972 1.00 0.75 C ATOM 2830 CE LYS A 183 14.835 -0.021 13.376 1.00 0.93 C ATOM 2831 NZ LYS A 183 13.916 0.997 13.956 1.00 1.59 N1+ ATOM 0 H LYS A 183 13.418 -0.069 7.270 1.00 0.44 H new ATOM 0 HA LYS A 183 13.050 2.121 8.999 1.00 0.50 H new ATOM 0 HB2 LYS A 183 13.133 -0.286 9.632 1.00 0.53 H new ATOM 0 HB3 LYS A 183 14.839 -0.327 9.236 1.00 0.53 H new ATOM 0 HG2 LYS A 183 15.345 1.260 11.030 1.00 0.60 H new ATOM 0 HG3 LYS A 183 13.639 1.473 11.372 1.00 0.60 H new ATOM 0 HD2 LYS A 183 13.441 -0.908 12.006 1.00 0.75 H new ATOM 0 HD3 LYS A 183 15.122 -1.179 11.592 1.00 0.75 H new ATOM 0 HE2 LYS A 183 14.855 -0.900 14.021 1.00 0.93 H new ATOM 0 HE3 LYS A 183 15.849 0.379 13.352 1.00 0.93 H new ATOM 0 HZ1 LYS A 183 14.002 0.992 14.992 1.00 1.59 H new ATOM 0 HZ2 LYS A 183 14.167 1.939 13.593 1.00 1.59 H new ATOM 0 HZ3 LYS A 183 12.936 0.773 13.688 1.00 1.59 H new ATOM 2845 N TYR A 184 16.063 1.790 7.714 1.00 0.52 N ATOM 2846 CA TYR A 184 17.337 2.464 7.498 1.00 0.57 C ATOM 2847 C TYR A 184 17.130 3.846 6.878 1.00 0.58 C ATOM 2848 O TYR A 184 17.768 4.816 7.276 1.00 0.65 O ATOM 2849 CB TYR A 184 18.231 1.601 6.593 1.00 0.60 C ATOM 2850 CG TYR A 184 19.448 2.319 6.053 1.00 0.70 C ATOM 2851 CD1 TYR A 184 20.525 2.620 6.877 1.00 0.84 C ATOM 2852 CD2 TYR A 184 19.519 2.697 4.717 1.00 0.74 C ATOM 2853 CE1 TYR A 184 21.637 3.282 6.386 1.00 0.99 C ATOM 2854 CE2 TYR A 184 20.628 3.357 4.220 1.00 0.88 C ATOM 2855 CZ TYR A 184 21.680 3.646 5.056 1.00 0.99 C ATOM 2856 OH TYR A 184 22.780 4.310 4.559 1.00 1.17 O ATOM 0 H TYR A 184 15.964 0.911 7.207 1.00 0.52 H new ATOM 0 HA TYR A 184 17.825 2.601 8.463 1.00 0.57 H new ATOM 0 HB2 TYR A 184 18.559 0.726 7.154 1.00 0.60 H new ATOM 0 HB3 TYR A 184 17.636 1.238 5.755 1.00 0.60 H new ATOM 0 HD1 TYR A 184 20.494 2.333 7.918 1.00 0.84 H new ATOM 0 HD2 TYR A 184 18.695 2.472 4.057 1.00 0.74 H new ATOM 0 HE1 TYR A 184 22.465 3.512 7.040 1.00 0.99 H new ATOM 0 HE2 TYR A 184 20.667 3.644 3.180 1.00 0.88 H new ATOM 0 HH TYR A 184 22.649 4.491 3.605 1.00 1.17 H new ATOM 2866 N LEU A 185 16.218 3.929 5.920 1.00 0.54 N ATOM 2867 CA LEU A 185 15.942 5.185 5.232 1.00 0.57 C ATOM 2868 C LEU A 185 15.038 6.103 6.054 1.00 0.59 C ATOM 2869 O LEU A 185 15.234 7.320 6.068 1.00 0.68 O ATOM 2870 CB LEU A 185 15.311 4.898 3.872 1.00 0.54 C ATOM 2871 CG LEU A 185 16.205 4.119 2.905 1.00 0.54 C ATOM 2872 CD1 LEU A 185 15.397 3.605 1.726 1.00 0.53 C ATOM 2873 CD2 LEU A 185 17.361 4.987 2.430 1.00 0.61 C ATOM 0 H LEU A 185 15.655 3.141 5.600 1.00 0.54 H new ATOM 0 HA LEU A 185 16.889 5.706 5.094 1.00 0.57 H new ATOM 0 HB2 LEU A 185 14.389 4.337 4.025 1.00 0.54 H new ATOM 0 HB3 LEU A 185 15.035 5.845 3.408 1.00 0.54 H new ATOM 0 HG LEU A 185 16.618 3.260 3.434 1.00 0.54 H new ATOM 0 HD11 LEU A 185 16.050 3.054 1.050 1.00 0.53 H new ATOM 0 HD12 LEU A 185 14.608 2.945 2.086 1.00 0.53 H new ATOM 0 HD13 LEU A 185 14.952 4.447 1.195 1.00 0.53 H new ATOM 0 HD21 LEU A 185 17.986 4.416 1.743 1.00 0.61 H new ATOM 0 HD22 LEU A 185 16.969 5.867 1.919 1.00 0.61 H new ATOM 0 HD23 LEU A 185 17.957 5.301 3.287 1.00 0.61 H new ATOM 2885 N SER A 186 14.060 5.525 6.744 1.00 0.55 N ATOM 2886 CA SER A 186 13.130 6.306 7.559 1.00 0.60 C ATOM 2887 C SER A 186 13.862 7.019 8.693 1.00 0.65 C ATOM 2888 O SER A 186 13.457 8.093 9.130 1.00 0.73 O ATOM 2889 CB SER A 186 12.037 5.403 8.138 1.00 0.59 C ATOM 2890 OG SER A 186 11.311 4.740 7.113 1.00 1.07 O ATOM 0 H SER A 186 13.889 4.519 6.757 1.00 0.55 H new ATOM 0 HA SER A 186 12.671 7.056 6.915 1.00 0.60 H new ATOM 0 HB2 SER A 186 12.487 4.665 8.802 1.00 0.59 H new ATOM 0 HB3 SER A 186 11.353 5.999 8.742 1.00 0.59 H new ATOM 0 HG SER A 186 11.832 3.978 6.784 1.00 1.07 H new ATOM 2896 N GLU A 187 14.944 6.415 9.165 1.00 0.66 N ATOM 2897 CA GLU A 187 15.725 6.996 10.243 1.00 0.76 C ATOM 2898 C GLU A 187 17.033 7.560 9.700 1.00 0.82 C ATOM 2899 O GLU A 187 18.033 7.658 10.414 1.00 0.98 O ATOM 2900 CB GLU A 187 15.991 5.949 11.324 1.00 0.80 C ATOM 2901 CG GLU A 187 14.721 5.315 11.873 1.00 1.10 C ATOM 2902 CD GLU A 187 14.923 4.681 13.235 1.00 1.56 C ATOM 2903 OE1 GLU A 187 15.083 5.431 14.224 1.00 2.26 O1- ATOM 2904 OE2 GLU A 187 14.920 3.430 13.325 1.00 2.01 O ATOM 0 H GLU A 187 15.299 5.524 8.817 1.00 0.66 H new ATOM 0 HA GLU A 187 15.160 7.814 10.690 1.00 0.76 H new ATOM 0 HB2 GLU A 187 16.631 5.168 10.914 1.00 0.80 H new ATOM 0 HB3 GLU A 187 16.540 6.414 12.143 1.00 0.80 H new ATOM 0 HG2 GLU A 187 13.942 6.074 11.943 1.00 1.10 H new ATOM 0 HG3 GLU A 187 14.367 4.558 11.174 1.00 1.10 H new