USER MOD reduce.3.24.130724 H: found=0, std=0, add=1236, rem=0, adj=53 USER MOD reduce.3.24.130724 removed 1236 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 135 ASN : amide:sc= -0.343 K(o=-0.33,f=-4!) USER MOD Set 1.2: A 136 HIS : no HE2:sc= 0.0109 K(o=-0.33,f=-0.97) USER MOD Set 2.1: A 87 ASN : amide:sc= 0 K(o=-0.79,f=-1.7) USER MOD Set 2.2: A 96 HIS : no HE2:sc= -0.793 K(o=-0.79,f=-2.1!) USER MOD Set 3.1: A 56 SER OG : rot -99:sc= 0.617 USER MOD Set 3.2: A 58 HIS : no HD1:sc= -0.0534 X(o=0.56,f=0.15) USER MOD Set 3.3: A 71 MET CE :methyl -136:sc= 0 (180deg=0) USER MOD Set 4.1: A 17 SER OG : rot 180:sc= 0.046 USER MOD Set 4.2: A 23 SER OG : rot -53:sc= 0.0513 USER MOD Set 4.3: A 46 LYS NZ :NH3+ -162:sc= -3.94! (180deg=-5.36!) USER MOD Set 5.1: A 18 THR OG1 : rot 170:sc= -0.555 USER MOD Set 5.2: A 20 ASN : amide:sc= 0 X(o=-0.55,f=-0.56) USER MOD Single : A 0 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc=-0.00809 USER MOD Single : A 2 SER OG : rot 170:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.011 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 26:sc= 0.305 USER MOD Single : A 15 SER OG : rot 100:sc= 1.24 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -3.59! K(o=-3.6!,f=-0.29) USER MOD Single : A 25 THR OG1 : rot -160:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot -172:sc= 0.0104 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 167:sc= -0.031 (180deg=-0.221) USER MOD Single : A 42 LYS NZ :NH3+ -169:sc= -0.0199 (180deg=-0.17) USER MOD Single : A 45 LYS NZ :NH3+ -117:sc= 0.614 (180deg=-0.687) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -171:sc= -0.65 USER MOD Single : A 53 TYR OH : rot 180:sc= -0.304 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -1.92 K(o=-1.9,f=-0.13) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 151:sc= -0.153 (180deg=-0.76) USER MOD Single : A 73 MET CE :methyl -169:sc= -0.145 (180deg=-0.515) USER MOD Single : A 75 THR OG1 : rot 26:sc= -1.19 USER MOD Single : A 77 SER OG : rot -75:sc= 0.651 USER MOD Single : A 79 THR OG1 : rot -60:sc= -2.41! USER MOD Single : A 80 LYS NZ :NH3+ 138:sc= -2.04 (180deg=-3.98!) USER MOD Single : A 85 HIS : no HD1:sc= -0.84 K(o=-0.84,f=-1.9!) USER MOD Single : A 88 ASN : amide:sc= -0.347 X(o=-0.35,f=-0.052) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 92 SER OG : rot 67:sc= 0.16 USER MOD Single : A 97 LYS NZ :NH3+ -130:sc= -0.91 (180deg=-1.77) USER MOD Single : A 98 CYS SG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 167:sc= -0.0741 (180deg=-0.315) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 111 HIS : no HD1:sc= -0.293 X(o=-0.29,f=-0.2) USER MOD Single : A 112 ASN : amide:sc= -0.289 K(o=-0.29,f=-3.1!) USER MOD Single : A 113 MET CE :methyl -159:sc= -0.146 (180deg=-1.17) USER MOD Single : A 114 HIS : no HD1:sc= -1.29 X(o=-1.3,f=-0.81) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 ASN : amide:sc= -0.0397 K(o=-0.04,f=-0.92) USER MOD Single : A 117 CYS SG : rot 162:sc= -0.316 USER MOD Single : A 119 SER OG : rot -124:sc= -0.248 USER MOD Single : A 122 CYS SG : rot -150:sc= -0.953 USER MOD Single : A 123 LYS NZ :NH3+ 165:sc= -0.0323 (180deg=-0.312) USER MOD Single : A 124 THR OG1 : rot 77:sc= 0.639 USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 LYS NZ :NH3+ 168:sc= -0.0202 (180deg=-0.174) USER MOD Single : A 144 SER OG : rot 180:sc= 0 USER MOD Single : A 145 SER OG : rot -39:sc= 0.66 USER MOD Single : A 147 ASN : amide:sc= -0.809 K(o=-0.81,f=-1.8!) USER MOD Single : A 149 CYS SG : rot 180:sc= 0 USER MOD Single : A 150 THR OG1 : rot 94:sc= 0.524 USER MOD Single : A 152 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 156 LYS NZ :NH3+ -135:sc= -0.0823 (180deg=-2.16!) USER MOD Single : A 158 SER OG : rot 180:sc= 0 USER MOD Single : A 160 THR OG1 : rot 23:sc= 1.34 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 0 12.326 15.970 -6.984 1.00 7.74 N ATOM 2 CA GLY A 0 12.830 16.092 -5.587 1.00 7.29 C ATOM 3 C GLY A 0 13.209 14.754 -4.985 1.00 6.59 C ATOM 4 O GLY A 0 12.484 13.770 -5.135 1.00 6.87 O ATOM 0 H1 GLY A 0 12.081 16.913 -7.348 1.00 7.74 H new ATOM 0 H2 GLY A 0 13.064 15.548 -7.584 1.00 7.74 H new ATOM 0 H3 GLY A 0 11.481 15.364 -6.997 1.00 7.74 H new ATOM 0 HA2 GLY A 0 13.698 16.751 -5.574 1.00 7.29 H new ATOM 0 HA3 GLY A 0 12.065 16.561 -4.968 1.00 7.29 H new ATOM 10 N SER A 1 14.349 14.716 -4.303 1.00 5.98 N ATOM 11 CA SER A 1 14.825 13.489 -3.676 1.00 5.55 C ATOM 12 C SER A 1 14.106 13.236 -2.354 1.00 4.98 C ATOM 13 O SER A 1 14.290 13.974 -1.386 1.00 4.98 O ATOM 14 CB SER A 1 16.335 13.565 -3.439 1.00 5.73 C ATOM 15 OG SER A 1 17.036 13.731 -4.661 1.00 6.24 O ATOM 0 H SER A 1 14.960 15.522 -4.171 1.00 5.98 H new ATOM 0 HA SER A 1 14.609 12.661 -4.351 1.00 5.55 H new ATOM 0 HB2 SER A 1 16.560 14.397 -2.771 1.00 5.73 H new ATOM 0 HB3 SER A 1 16.674 12.656 -2.942 1.00 5.73 H new ATOM 0 HG SER A 1 17.998 13.778 -4.482 1.00 6.24 H new ATOM 21 N SER A 2 13.288 12.189 -2.323 1.00 4.86 N ATOM 22 CA SER A 2 12.541 11.839 -1.120 1.00 4.65 C ATOM 23 C SER A 2 13.416 11.061 -0.142 1.00 3.55 C ATOM 24 O SER A 2 13.246 11.162 1.072 1.00 3.84 O ATOM 25 CB SER A 2 11.304 11.015 -1.484 1.00 5.55 C ATOM 26 OG SER A 2 10.454 11.731 -2.362 1.00 5.99 O ATOM 0 H SER A 2 13.126 11.569 -3.116 1.00 4.86 H new ATOM 0 HA SER A 2 12.224 12.764 -0.638 1.00 4.65 H new ATOM 0 HB2 SER A 2 11.611 10.080 -1.952 1.00 5.55 H new ATOM 0 HB3 SER A 2 10.758 10.753 -0.578 1.00 5.55 H new ATOM 0 HG SER A 2 9.759 11.131 -2.706 1.00 5.99 H new ATOM 32 N ILE A 3 14.352 10.284 -0.681 1.00 2.69 N ATOM 33 CA ILE A 3 15.256 9.492 0.147 1.00 1.87 C ATOM 34 C ILE A 3 16.711 9.745 -0.228 1.00 1.35 C ATOM 35 O ILE A 3 17.487 10.267 0.573 1.00 1.91 O ATOM 36 CB ILE A 3 14.956 7.988 0.027 1.00 2.23 C ATOM 37 CG1 ILE A 3 13.512 7.709 0.445 1.00 2.35 C ATOM 38 CG2 ILE A 3 15.931 7.184 0.878 1.00 2.72 C ATOM 39 CD1 ILE A 3 13.127 6.251 0.362 1.00 2.23 C ATOM 0 H ILE A 3 14.504 10.186 -1.685 1.00 2.69 H new ATOM 0 HA ILE A 3 15.093 9.803 1.179 1.00 1.87 H new ATOM 0 HB ILE A 3 15.081 7.683 -1.012 1.00 2.23 H new ATOM 0 HG12 ILE A 3 13.365 8.057 1.468 1.00 2.35 H new ATOM 0 HG13 ILE A 3 12.841 8.289 -0.188 1.00 2.35 H new ATOM 0 HG21 ILE A 3 15.706 6.122 0.783 1.00 2.72 H new ATOM 0 HG22 ILE A 3 16.950 7.371 0.539 1.00 2.72 H new ATOM 0 HG23 ILE A 3 15.835 7.483 1.922 1.00 2.72 H new ATOM 0 HD11 ILE A 3 12.089 6.130 0.674 1.00 2.23 H new ATOM 0 HD12 ILE A 3 13.240 5.903 -0.665 1.00 2.23 H new ATOM 0 HD13 ILE A 3 13.773 5.666 1.017 1.00 2.23 H new ATOM 51 N THR A 4 17.077 9.370 -1.452 1.00 1.51 N ATOM 52 CA THR A 4 18.441 9.557 -1.933 1.00 1.85 C ATOM 53 C THR A 4 18.509 9.495 -3.459 1.00 1.58 C ATOM 54 O THR A 4 18.873 8.470 -4.038 1.00 1.84 O ATOM 55 CB THR A 4 19.395 8.503 -1.334 1.00 3.01 C ATOM 56 OG1 THR A 4 20.662 8.555 -1.998 1.00 3.60 O ATOM 57 CG2 THR A 4 18.809 7.102 -1.453 1.00 3.68 C ATOM 0 H THR A 4 16.448 8.935 -2.127 1.00 1.51 H new ATOM 0 HA THR A 4 18.758 10.548 -1.607 1.00 1.85 H new ATOM 0 HB THR A 4 19.529 8.731 -0.276 1.00 3.01 H new ATOM 0 HG1 THR A 4 21.262 7.884 -1.611 1.00 3.60 H new ATOM 0 HG21 THR A 4 19.503 6.380 -1.023 1.00 3.68 H new ATOM 0 HG22 THR A 4 17.861 7.058 -0.918 1.00 3.68 H new ATOM 0 HG23 THR A 4 18.644 6.865 -2.504 1.00 3.68 H new ATOM 65 N GLY A 5 18.158 10.605 -4.104 1.00 1.36 N ATOM 66 CA GLY A 5 18.189 10.667 -5.555 1.00 1.29 C ATOM 67 C GLY A 5 17.321 9.610 -6.212 1.00 1.13 C ATOM 68 O GLY A 5 17.503 9.298 -7.390 1.00 1.34 O ATOM 0 H GLY A 5 17.852 11.464 -3.646 1.00 1.36 H new ATOM 0 HA2 GLY A 5 17.858 11.654 -5.878 1.00 1.29 H new ATOM 0 HA3 GLY A 5 19.217 10.548 -5.896 1.00 1.29 H new ATOM 72 N ILE A 6 16.375 9.060 -5.457 1.00 0.84 N ATOM 73 CA ILE A 6 15.483 8.031 -5.983 1.00 0.72 C ATOM 74 C ILE A 6 14.487 8.621 -6.976 1.00 0.71 C ATOM 75 O ILE A 6 14.049 9.763 -6.830 1.00 0.85 O ATOM 76 CB ILE A 6 14.707 7.322 -4.856 1.00 0.64 C ATOM 77 CG1 ILE A 6 13.895 8.336 -4.045 1.00 0.78 C ATOM 78 CG2 ILE A 6 15.668 6.559 -3.954 1.00 0.90 C ATOM 79 CD1 ILE A 6 12.969 7.701 -3.030 1.00 0.88 C ATOM 0 H ILE A 6 16.206 9.308 -4.482 1.00 0.84 H new ATOM 0 HA ILE A 6 16.113 7.301 -6.492 1.00 0.72 H new ATOM 0 HB ILE A 6 14.014 6.610 -5.304 1.00 0.64 H new ATOM 0 HG12 ILE A 6 14.581 9.007 -3.528 1.00 0.78 H new ATOM 0 HG13 ILE A 6 13.306 8.947 -4.729 1.00 0.78 H new ATOM 0 HG21 ILE A 6 15.107 6.063 -3.162 1.00 0.90 H new ATOM 0 HG22 ILE A 6 16.204 5.813 -4.541 1.00 0.90 H new ATOM 0 HG23 ILE A 6 16.382 7.254 -3.512 1.00 0.90 H new ATOM 0 HD11 ILE A 6 12.427 8.480 -2.494 1.00 0.88 H new ATOM 0 HD12 ILE A 6 12.259 7.052 -3.542 1.00 0.88 H new ATOM 0 HD13 ILE A 6 13.553 7.113 -2.322 1.00 0.88 H new ATOM 91 N SER A 7 14.131 7.832 -7.987 1.00 0.67 N ATOM 92 CA SER A 7 13.186 8.272 -9.006 1.00 0.69 C ATOM 93 C SER A 7 12.165 7.176 -9.312 1.00 0.58 C ATOM 94 O SER A 7 12.484 5.988 -9.243 1.00 0.54 O ATOM 95 CB SER A 7 13.934 8.658 -10.283 1.00 0.81 C ATOM 96 OG SER A 7 14.706 7.574 -10.769 1.00 1.60 O ATOM 0 H SER A 7 14.484 6.884 -8.121 1.00 0.67 H new ATOM 0 HA SER A 7 12.653 9.143 -8.624 1.00 0.69 H new ATOM 0 HB2 SER A 7 13.221 8.971 -11.045 1.00 0.81 H new ATOM 0 HB3 SER A 7 14.583 9.511 -10.084 1.00 0.81 H new ATOM 0 HG SER A 7 15.173 7.846 -11.587 1.00 1.60 H new ATOM 102 N PRO A 8 10.920 7.560 -9.655 1.00 0.57 N ATOM 103 CA PRO A 8 9.855 6.600 -9.972 1.00 0.48 C ATOM 104 C PRO A 8 10.200 5.735 -11.180 1.00 0.47 C ATOM 105 O PRO A 8 10.633 6.243 -12.215 1.00 0.58 O ATOM 106 CB PRO A 8 8.638 7.482 -10.278 1.00 0.49 C ATOM 107 CG PRO A 8 8.956 8.811 -9.679 1.00 0.69 C ATOM 108 CD PRO A 8 10.448 8.952 -9.760 1.00 0.67 C ATOM 0 HA PRO A 8 9.688 5.901 -9.153 1.00 0.48 H new ATOM 0 HB2 PRO A 8 8.472 7.564 -11.352 1.00 0.49 H new ATOM 0 HB3 PRO A 8 7.729 7.063 -9.846 1.00 0.49 H new ATOM 0 HG2 PRO A 8 8.458 9.614 -10.222 1.00 0.69 H new ATOM 0 HG3 PRO A 8 8.614 8.866 -8.645 1.00 0.69 H new ATOM 0 HD2 PRO A 8 10.759 9.414 -10.697 1.00 0.67 H new ATOM 0 HD3 PRO A 8 10.839 9.572 -8.954 1.00 0.67 H new ATOM 116 N ILE A 9 10.005 4.427 -11.039 1.00 0.41 N ATOM 117 CA ILE A 9 10.295 3.486 -12.116 1.00 0.46 C ATOM 118 C ILE A 9 9.118 3.377 -13.080 1.00 0.45 C ATOM 119 O ILE A 9 9.301 3.185 -14.282 1.00 0.53 O ATOM 120 CB ILE A 9 10.620 2.084 -11.563 1.00 0.48 C ATOM 121 CG1 ILE A 9 11.427 2.194 -10.265 1.00 0.51 C ATOM 122 CG2 ILE A 9 11.381 1.267 -12.597 1.00 0.65 C ATOM 123 CD1 ILE A 9 12.744 2.923 -10.424 1.00 1.53 C ATOM 0 H ILE A 9 9.647 3.994 -10.188 1.00 0.41 H new ATOM 0 HA ILE A 9 11.165 3.871 -12.648 1.00 0.46 H new ATOM 0 HB ILE A 9 9.682 1.573 -11.343 1.00 0.48 H new ATOM 0 HG12 ILE A 9 10.825 2.710 -9.517 1.00 0.51 H new ATOM 0 HG13 ILE A 9 11.621 1.192 -9.883 1.00 0.51 H new ATOM 0 HG21 ILE A 9 11.602 0.280 -12.190 1.00 0.65 H new ATOM 0 HG22 ILE A 9 10.774 1.161 -13.496 1.00 0.65 H new ATOM 0 HG23 ILE A 9 12.313 1.774 -12.847 1.00 0.65 H new ATOM 0 HD11 ILE A 9 13.257 2.960 -9.463 1.00 1.53 H new ATOM 0 HD12 ILE A 9 13.366 2.397 -11.148 1.00 1.53 H new ATOM 0 HD13 ILE A 9 12.558 3.938 -10.776 1.00 1.53 H new ATOM 135 N THR A 10 7.910 3.501 -12.540 1.00 0.41 N ATOM 136 CA THR A 10 6.696 3.420 -13.344 1.00 0.42 C ATOM 137 C THR A 10 5.471 3.821 -12.530 1.00 0.31 C ATOM 138 O THR A 10 5.381 3.526 -11.338 1.00 0.28 O ATOM 139 CB THR A 10 6.484 1.999 -13.903 1.00 0.52 C ATOM 140 OG1 THR A 10 5.263 1.945 -14.655 1.00 0.54 O ATOM 141 CG2 THR A 10 6.438 0.974 -12.779 1.00 0.53 C ATOM 0 H THR A 10 7.746 3.658 -11.546 1.00 0.41 H new ATOM 0 HA THR A 10 6.821 4.114 -14.175 1.00 0.42 H new ATOM 0 HB THR A 10 7.324 1.761 -14.555 1.00 0.52 H new ATOM 0 HG1 THR A 10 5.136 1.040 -15.008 1.00 0.54 H new ATOM 0 HG21 THR A 10 6.288 -0.020 -13.199 1.00 0.53 H new ATOM 0 HG22 THR A 10 7.378 0.996 -12.227 1.00 0.53 H new ATOM 0 HG23 THR A 10 5.616 1.211 -12.104 1.00 0.53 H new ATOM 149 N GLU A 11 4.531 4.496 -13.183 1.00 0.34 N ATOM 150 CA GLU A 11 3.308 4.937 -12.523 1.00 0.27 C ATOM 151 C GLU A 11 2.082 4.523 -13.330 1.00 0.23 C ATOM 152 O GLU A 11 2.021 4.736 -14.540 1.00 0.32 O ATOM 153 CB GLU A 11 3.321 6.456 -12.339 1.00 0.35 C ATOM 154 CG GLU A 11 4.579 6.976 -11.662 1.00 1.07 C ATOM 155 CD GLU A 11 4.553 8.477 -11.459 1.00 1.05 C ATOM 156 OE1 GLU A 11 4.979 9.209 -12.380 1.00 1.46 O ATOM 157 OE2 GLU A 11 4.105 8.923 -10.382 1.00 0.76 O ATOM 0 H GLU A 11 4.593 4.750 -14.169 1.00 0.34 H new ATOM 0 HA GLU A 11 3.259 4.461 -11.544 1.00 0.27 H new ATOM 0 HB2 GLU A 11 3.220 6.933 -13.314 1.00 0.35 H new ATOM 0 HB3 GLU A 11 2.453 6.750 -11.749 1.00 0.35 H new ATOM 0 HG2 GLU A 11 4.697 6.484 -10.696 1.00 1.07 H new ATOM 0 HG3 GLU A 11 5.448 6.709 -12.264 1.00 1.07 H new ATOM 164 N TYR A 12 1.107 3.929 -12.648 1.00 0.33 N ATOM 165 CA TYR A 12 -0.117 3.481 -13.300 1.00 0.46 C ATOM 166 C TYR A 12 -1.299 3.546 -12.337 1.00 0.33 C ATOM 167 O TYR A 12 -1.118 3.615 -11.123 1.00 0.28 O ATOM 168 CB TYR A 12 0.055 2.055 -13.827 1.00 0.67 C ATOM 169 CG TYR A 12 0.384 1.041 -12.751 1.00 0.46 C ATOM 170 CD1 TYR A 12 1.700 0.790 -12.382 1.00 0.71 C ATOM 171 CD2 TYR A 12 -0.624 0.338 -12.106 1.00 0.62 C ATOM 172 CE1 TYR A 12 2.001 -0.134 -11.400 1.00 1.26 C ATOM 173 CE2 TYR A 12 -0.331 -0.588 -11.123 1.00 1.16 C ATOM 174 CZ TYR A 12 0.995 -0.819 -10.775 1.00 1.50 C ATOM 175 OH TYR A 12 1.277 -1.741 -9.793 1.00 2.11 O ATOM 0 H TYR A 12 1.142 3.747 -11.645 1.00 0.33 H new ATOM 0 HA TYR A 12 -0.320 4.146 -14.139 1.00 0.46 H new ATOM 0 HB2 TYR A 12 -0.862 1.751 -14.331 1.00 0.67 H new ATOM 0 HB3 TYR A 12 0.848 2.047 -14.575 1.00 0.67 H new ATOM 0 HD1 TYR A 12 2.500 1.326 -12.871 1.00 0.71 H new ATOM 0 HD2 TYR A 12 -1.654 0.518 -12.377 1.00 0.62 H new ATOM 0 HE1 TYR A 12 3.030 -0.315 -11.126 1.00 1.26 H new ATOM 0 HE2 TYR A 12 -1.125 -1.128 -10.629 1.00 1.16 H new ATOM 0 HH TYR A 12 2.132 -1.516 -9.369 1.00 2.11 H new ATOM 185 N LEU A 13 -2.507 3.525 -12.891 1.00 0.42 N ATOM 186 CA LEU A 13 -3.718 3.582 -12.079 1.00 0.35 C ATOM 187 C LEU A 13 -4.247 2.182 -11.789 1.00 0.29 C ATOM 188 O LEU A 13 -4.402 1.366 -12.697 1.00 0.35 O ATOM 189 CB LEU A 13 -4.793 4.410 -12.789 1.00 0.45 C ATOM 190 CG LEU A 13 -4.348 5.803 -13.238 1.00 0.59 C ATOM 191 CD1 LEU A 13 -5.458 6.486 -14.022 1.00 1.17 C ATOM 192 CD2 LEU A 13 -3.941 6.650 -12.041 1.00 0.93 C ATOM 0 H LEU A 13 -2.674 3.469 -13.896 1.00 0.42 H new ATOM 0 HA LEU A 13 -3.468 4.058 -11.131 1.00 0.35 H new ATOM 0 HB2 LEU A 13 -5.138 3.857 -13.662 1.00 0.45 H new ATOM 0 HB3 LEU A 13 -5.648 4.516 -12.121 1.00 0.45 H new ATOM 0 HG LEU A 13 -3.480 5.694 -13.888 1.00 0.59 H new ATOM 0 HD11 LEU A 13 -5.126 7.476 -14.335 1.00 1.17 H new ATOM 0 HD12 LEU A 13 -5.702 5.890 -14.902 1.00 1.17 H new ATOM 0 HD13 LEU A 13 -6.342 6.582 -13.392 1.00 1.17 H new ATOM 0 HD21 LEU A 13 -3.628 7.637 -12.383 1.00 0.93 H new ATOM 0 HD22 LEU A 13 -4.788 6.753 -11.363 1.00 0.93 H new ATOM 0 HD23 LEU A 13 -3.115 6.168 -11.518 1.00 0.93 H new ATOM 204 N ALA A 14 -4.524 1.914 -10.517 1.00 0.22 N ATOM 205 CA ALA A 14 -5.035 0.615 -10.102 1.00 0.20 C ATOM 206 C ALA A 14 -5.696 0.700 -8.730 1.00 0.20 C ATOM 207 O ALA A 14 -5.181 1.351 -7.821 1.00 0.32 O ATOM 208 CB ALA A 14 -3.916 -0.415 -10.087 1.00 0.30 C ATOM 0 H ALA A 14 -4.402 2.581 -9.755 1.00 0.22 H new ATOM 0 HA ALA A 14 -5.790 0.302 -10.824 1.00 0.20 H new ATOM 0 HB1 ALA A 14 -4.314 -1.380 -9.775 1.00 0.30 H new ATOM 0 HB2 ALA A 14 -3.490 -0.504 -11.086 1.00 0.30 H new ATOM 0 HB3 ALA A 14 -3.140 -0.100 -9.389 1.00 0.30 H new ATOM 214 N SER A 15 -6.839 0.039 -8.587 1.00 0.27 N ATOM 215 CA SER A 15 -7.572 0.046 -7.327 1.00 0.32 C ATOM 216 C SER A 15 -7.280 -1.211 -6.512 1.00 0.30 C ATOM 217 O SER A 15 -7.182 -2.309 -7.059 1.00 0.29 O ATOM 218 CB SER A 15 -9.075 0.155 -7.592 1.00 0.40 C ATOM 219 OG SER A 15 -9.810 0.152 -6.380 1.00 1.30 O ATOM 0 H SER A 15 -7.278 -0.508 -9.328 1.00 0.27 H new ATOM 0 HA SER A 15 -7.243 0.911 -6.752 1.00 0.32 H new ATOM 0 HB2 SER A 15 -9.284 1.071 -8.145 1.00 0.40 H new ATOM 0 HB3 SER A 15 -9.398 -0.677 -8.218 1.00 0.40 H new ATOM 0 HG SER A 15 -10.062 1.070 -6.148 1.00 1.30 H new ATOM 225 N LEU A 16 -7.142 -1.038 -5.199 1.00 0.31 N ATOM 226 CA LEU A 16 -6.865 -2.157 -4.304 1.00 0.30 C ATOM 227 C LEU A 16 -8.136 -2.959 -4.043 1.00 0.29 C ATOM 228 O LEU A 16 -9.155 -2.403 -3.631 1.00 0.37 O ATOM 229 CB LEU A 16 -6.293 -1.652 -2.973 1.00 0.34 C ATOM 230 CG LEU A 16 -4.839 -1.157 -3.012 1.00 0.35 C ATOM 231 CD1 LEU A 16 -3.909 -2.252 -3.507 1.00 1.11 C ATOM 232 CD2 LEU A 16 -4.712 0.086 -3.878 1.00 0.98 C ATOM 0 H LEU A 16 -7.218 -0.134 -4.733 1.00 0.31 H new ATOM 0 HA LEU A 16 -6.130 -2.802 -4.785 1.00 0.30 H new ATOM 0 HB2 LEU A 16 -6.924 -0.839 -2.614 1.00 0.34 H new ATOM 0 HB3 LEU A 16 -6.363 -2.457 -2.241 1.00 0.34 H new ATOM 0 HG LEU A 16 -4.546 -0.894 -1.996 1.00 0.35 H new ATOM 0 HD11 LEU A 16 -2.885 -1.879 -3.526 1.00 1.11 H new ATOM 0 HD12 LEU A 16 -3.970 -3.111 -2.838 1.00 1.11 H new ATOM 0 HD13 LEU A 16 -4.204 -2.553 -4.512 1.00 1.11 H new ATOM 0 HD21 LEU A 16 -3.673 0.417 -3.890 1.00 0.98 H new ATOM 0 HD22 LEU A 16 -5.031 -0.145 -4.895 1.00 0.98 H new ATOM 0 HD23 LEU A 16 -5.341 0.878 -3.472 1.00 0.98 H new ATOM 244 N SER A 17 -8.075 -4.265 -4.292 1.00 0.21 N ATOM 245 CA SER A 17 -9.231 -5.133 -4.080 1.00 0.21 C ATOM 246 C SER A 17 -8.890 -6.295 -3.149 1.00 0.19 C ATOM 247 O SER A 17 -7.914 -7.013 -3.366 1.00 0.22 O ATOM 248 CB SER A 17 -9.743 -5.670 -5.417 1.00 0.25 C ATOM 249 OG SER A 17 -10.131 -4.611 -6.276 1.00 0.98 O ATOM 0 H SER A 17 -7.243 -4.743 -4.639 1.00 0.21 H new ATOM 0 HA SER A 17 -10.013 -4.537 -3.608 1.00 0.21 H new ATOM 0 HB2 SER A 17 -8.965 -6.265 -5.896 1.00 0.25 H new ATOM 0 HB3 SER A 17 -10.591 -6.333 -5.246 1.00 0.25 H new ATOM 0 HG SER A 17 -10.453 -4.980 -7.125 1.00 0.98 H new ATOM 255 N THR A 18 -9.709 -6.478 -2.116 1.00 0.18 N ATOM 256 CA THR A 18 -9.509 -7.557 -1.155 1.00 0.19 C ATOM 257 C THR A 18 -9.734 -8.916 -1.808 1.00 0.21 C ATOM 258 O THR A 18 -10.374 -9.013 -2.855 1.00 0.31 O ATOM 259 CB THR A 18 -10.462 -7.419 0.047 1.00 0.18 C ATOM 260 OG1 THR A 18 -11.820 -7.571 -0.385 1.00 0.23 O ATOM 261 CG2 THR A 18 -10.290 -6.067 0.721 1.00 0.18 C ATOM 0 H THR A 18 -10.520 -5.890 -1.924 1.00 0.18 H new ATOM 0 HA THR A 18 -8.479 -7.486 -0.805 1.00 0.19 H new ATOM 0 HB THR A 18 -10.219 -8.201 0.767 1.00 0.18 H new ATOM 0 HG1 THR A 18 -12.406 -7.643 0.397 1.00 0.23 H new ATOM 0 HG21 THR A 18 -10.973 -5.993 1.567 1.00 0.18 H new ATOM 0 HG22 THR A 18 -9.264 -5.964 1.073 1.00 0.18 H new ATOM 0 HG23 THR A 18 -10.510 -5.274 0.006 1.00 0.18 H new ATOM 269 N TYR A 19 -9.211 -9.964 -1.178 1.00 0.21 N ATOM 270 CA TYR A 19 -9.351 -11.322 -1.693 1.00 0.23 C ATOM 271 C TYR A 19 -10.816 -11.756 -1.696 1.00 0.24 C ATOM 272 O TYR A 19 -11.162 -12.811 -2.229 1.00 0.29 O ATOM 273 CB TYR A 19 -8.519 -12.294 -0.853 1.00 0.28 C ATOM 274 CG TYR A 19 -8.401 -13.679 -1.448 1.00 0.33 C ATOM 275 CD1 TYR A 19 -7.613 -13.913 -2.570 1.00 0.39 C ATOM 276 CD2 TYR A 19 -9.082 -14.755 -0.891 1.00 0.36 C ATOM 277 CE1 TYR A 19 -7.508 -15.178 -3.117 1.00 0.45 C ATOM 278 CE2 TYR A 19 -8.982 -16.022 -1.433 1.00 0.42 C ATOM 279 CZ TYR A 19 -8.172 -16.229 -2.542 1.00 0.45 C ATOM 280 OH TYR A 19 -8.093 -17.491 -3.088 1.00 0.52 O ATOM 0 H TYR A 19 -8.685 -9.898 -0.307 1.00 0.21 H new ATOM 0 HA TYR A 19 -8.987 -11.335 -2.720 1.00 0.23 H new ATOM 0 HB2 TYR A 19 -7.519 -11.880 -0.722 1.00 0.28 H new ATOM 0 HB3 TYR A 19 -8.964 -12.373 0.139 1.00 0.28 H new ATOM 0 HD1 TYR A 19 -7.074 -13.093 -3.021 1.00 0.39 H new ATOM 0 HD2 TYR A 19 -9.700 -14.598 -0.019 1.00 0.36 H new ATOM 0 HE1 TYR A 19 -6.903 -15.338 -3.997 1.00 0.45 H new ATOM 0 HE2 TYR A 19 -9.529 -16.845 -0.998 1.00 0.42 H new ATOM 0 HH TYR A 19 -8.625 -18.114 -2.550 1.00 0.52 H new ATOM 290 N ASN A 20 -11.671 -10.933 -1.096 1.00 0.22 N ATOM 291 CA ASN A 20 -13.098 -11.227 -1.025 1.00 0.27 C ATOM 292 C ASN A 20 -13.831 -10.663 -2.239 1.00 0.26 C ATOM 293 O ASN A 20 -15.042 -10.440 -2.196 1.00 0.30 O ATOM 294 CB ASN A 20 -13.689 -10.646 0.260 1.00 0.32 C ATOM 295 CG ASN A 20 -12.925 -11.084 1.495 1.00 1.21 C ATOM 296 OD1 ASN A 20 -12.003 -10.403 1.942 1.00 2.23 O ATOM 297 ND2 ASN A 20 -13.306 -12.228 2.051 1.00 1.58 N ATOM 0 H ASN A 20 -11.400 -10.056 -0.651 1.00 0.22 H new ATOM 0 HA ASN A 20 -13.225 -12.310 -1.021 1.00 0.27 H new ATOM 0 HB2 ASN A 20 -13.684 -9.558 0.200 1.00 0.32 H new ATOM 0 HB3 ASN A 20 -14.730 -10.956 0.351 1.00 0.32 H new ATOM 0 HD21 ASN A 20 -12.828 -12.575 2.883 1.00 1.58 H new ATOM 0 HD22 ASN A 20 -14.076 -12.760 1.646 1.00 1.58 H new ATOM 304 N ASP A 21 -13.087 -10.436 -3.320 1.00 0.26 N ATOM 305 CA ASP A 21 -13.656 -9.900 -4.553 1.00 0.30 C ATOM 306 C ASP A 21 -14.285 -8.527 -4.316 1.00 0.31 C ATOM 307 O ASP A 21 -15.180 -8.106 -5.050 1.00 0.54 O ATOM 308 CB ASP A 21 -14.695 -10.869 -5.126 1.00 0.36 C ATOM 309 CG ASP A 21 -15.090 -10.523 -6.548 1.00 1.14 C ATOM 310 OD1 ASP A 21 -14.298 -10.811 -7.470 1.00 1.01 O ATOM 311 OD2 ASP A 21 -16.191 -9.966 -6.740 1.00 2.07 O ATOM 0 H ASP A 21 -12.084 -10.616 -3.366 1.00 0.26 H new ATOM 0 HA ASP A 21 -12.848 -9.783 -5.275 1.00 0.30 H new ATOM 0 HB2 ASP A 21 -14.295 -11.883 -5.100 1.00 0.36 H new ATOM 0 HB3 ASP A 21 -15.583 -10.860 -4.494 1.00 0.36 H new ATOM 316 N GLN A 22 -13.810 -7.831 -3.286 1.00 0.22 N ATOM 317 CA GLN A 22 -14.320 -6.504 -2.956 1.00 0.21 C ATOM 318 C GLN A 22 -13.260 -5.438 -3.219 1.00 0.20 C ATOM 319 O GLN A 22 -12.064 -5.712 -3.151 1.00 0.29 O ATOM 320 CB GLN A 22 -14.760 -6.450 -1.492 1.00 0.22 C ATOM 321 CG GLN A 22 -15.863 -7.439 -1.149 1.00 0.30 C ATOM 322 CD GLN A 22 -16.292 -7.361 0.306 1.00 0.37 C ATOM 323 OE1 GLN A 22 -16.700 -8.360 0.898 1.00 1.13 O ATOM 324 NE2 GLN A 22 -16.207 -6.171 0.891 1.00 1.17 N ATOM 0 H GLN A 22 -13.072 -8.165 -2.666 1.00 0.22 H new ATOM 0 HA GLN A 22 -15.182 -6.304 -3.593 1.00 0.21 H new ATOM 0 HB2 GLN A 22 -13.897 -6.646 -0.855 1.00 0.22 H new ATOM 0 HB3 GLN A 22 -15.104 -5.442 -1.262 1.00 0.22 H new ATOM 0 HG2 GLN A 22 -16.726 -7.250 -1.788 1.00 0.30 H new ATOM 0 HG3 GLN A 22 -15.519 -8.450 -1.368 1.00 0.30 H new ATOM 0 HE21 GLN A 22 -15.863 -5.368 0.365 1.00 1.17 H new ATOM 0 HE22 GLN A 22 -16.485 -6.061 1.866 1.00 1.17 H new ATOM 333 N SER A 23 -13.707 -4.222 -3.521 1.00 0.29 N ATOM 334 CA SER A 23 -12.793 -3.116 -3.788 1.00 0.31 C ATOM 335 C SER A 23 -12.794 -2.124 -2.627 1.00 0.26 C ATOM 336 O SER A 23 -13.788 -1.992 -1.915 1.00 0.23 O ATOM 337 CB SER A 23 -13.182 -2.404 -5.085 1.00 0.37 C ATOM 338 OG SER A 23 -13.109 -3.285 -6.192 1.00 1.17 O ATOM 0 H SER A 23 -14.695 -3.978 -3.587 1.00 0.29 H new ATOM 0 HA SER A 23 -11.788 -3.523 -3.897 1.00 0.31 H new ATOM 0 HB2 SER A 23 -14.194 -2.009 -4.997 1.00 0.37 H new ATOM 0 HB3 SER A 23 -12.521 -1.553 -5.249 1.00 0.37 H new ATOM 0 HG SER A 23 -12.222 -3.702 -6.221 1.00 1.17 H new ATOM 344 N ILE A 24 -11.674 -1.431 -2.445 1.00 0.28 N ATOM 345 CA ILE A 24 -11.543 -0.455 -1.368 1.00 0.26 C ATOM 346 C ILE A 24 -12.059 0.913 -1.807 1.00 0.26 C ATOM 347 O ILE A 24 -11.801 1.353 -2.927 1.00 0.45 O ATOM 348 CB ILE A 24 -10.073 -0.314 -0.916 1.00 0.29 C ATOM 349 CG1 ILE A 24 -9.466 -1.691 -0.618 1.00 0.32 C ATOM 350 CG2 ILE A 24 -9.974 0.594 0.301 1.00 0.31 C ATOM 351 CD1 ILE A 24 -10.113 -2.412 0.546 1.00 0.31 C ATOM 0 H ILE A 24 -10.844 -1.527 -3.030 1.00 0.28 H new ATOM 0 HA ILE A 24 -12.141 -0.818 -0.532 1.00 0.26 H new ATOM 0 HB ILE A 24 -9.505 0.140 -1.728 1.00 0.29 H new ATOM 0 HG12 ILE A 24 -9.549 -2.314 -1.509 1.00 0.32 H new ATOM 0 HG13 ILE A 24 -8.403 -1.571 -0.411 1.00 0.32 H new ATOM 0 HG21 ILE A 24 -8.931 0.682 0.606 1.00 0.31 H new ATOM 0 HG22 ILE A 24 -10.363 1.581 0.051 1.00 0.31 H new ATOM 0 HG23 ILE A 24 -10.556 0.171 1.119 1.00 0.31 H new ATOM 0 HD11 ILE A 24 -9.627 -3.377 0.692 1.00 0.31 H new ATOM 0 HD12 ILE A 24 -10.007 -1.812 1.450 1.00 0.31 H new ATOM 0 HD13 ILE A 24 -11.171 -2.567 0.335 1.00 0.31 H new ATOM 363 N THR A 25 -12.787 1.580 -0.918 1.00 0.32 N ATOM 364 CA THR A 25 -13.340 2.897 -1.212 1.00 0.35 C ATOM 365 C THR A 25 -12.808 3.946 -0.240 1.00 0.38 C ATOM 366 O THR A 25 -12.781 3.728 0.970 1.00 0.46 O ATOM 367 CB THR A 25 -14.879 2.884 -1.147 1.00 0.40 C ATOM 368 OG1 THR A 25 -15.398 1.899 -2.050 1.00 0.40 O ATOM 369 CG2 THR A 25 -15.450 4.250 -1.499 1.00 0.44 C ATOM 0 H THR A 25 -13.008 1.229 0.014 1.00 0.32 H new ATOM 0 HA THR A 25 -13.028 3.154 -2.224 1.00 0.35 H new ATOM 0 HB THR A 25 -15.175 2.637 -0.127 1.00 0.40 H new ATOM 0 HG1 THR A 25 -16.337 2.098 -2.247 1.00 0.40 H new ATOM 0 HG21 THR A 25 -16.538 4.214 -1.446 1.00 0.44 H new ATOM 0 HG22 THR A 25 -15.076 4.993 -0.794 1.00 0.44 H new ATOM 0 HG23 THR A 25 -15.145 4.523 -2.509 1.00 0.44 H new ATOM 377 N PHE A 26 -12.381 5.086 -0.781 1.00 0.37 N ATOM 378 CA PHE A 26 -11.852 6.172 0.036 1.00 0.40 C ATOM 379 C PHE A 26 -12.772 7.388 -0.012 1.00 0.48 C ATOM 380 O PHE A 26 -12.659 8.229 -0.904 1.00 0.52 O ATOM 381 CB PHE A 26 -10.451 6.567 -0.436 1.00 0.39 C ATOM 382 CG PHE A 26 -9.450 5.448 -0.370 1.00 0.36 C ATOM 383 CD1 PHE A 26 -8.707 5.234 0.779 1.00 0.37 C ATOM 384 CD2 PHE A 26 -9.254 4.613 -1.458 1.00 0.38 C ATOM 385 CE1 PHE A 26 -7.783 4.206 0.841 1.00 0.38 C ATOM 386 CE2 PHE A 26 -8.333 3.584 -1.402 1.00 0.40 C ATOM 387 CZ PHE A 26 -7.595 3.380 -0.250 1.00 0.39 C ATOM 0 H PHE A 26 -12.392 5.280 -1.782 1.00 0.37 H new ATOM 0 HA PHE A 26 -11.795 5.817 1.065 1.00 0.40 H new ATOM 0 HB2 PHE A 26 -10.512 6.927 -1.463 1.00 0.39 H new ATOM 0 HB3 PHE A 26 -10.094 7.398 0.172 1.00 0.39 H new ATOM 0 HD1 PHE A 26 -8.850 5.876 1.635 1.00 0.37 H new ATOM 0 HD2 PHE A 26 -9.827 4.768 -2.360 1.00 0.38 H new ATOM 0 HE1 PHE A 26 -7.209 4.049 1.742 1.00 0.38 H new ATOM 0 HE2 PHE A 26 -8.190 2.940 -2.257 1.00 0.40 H new ATOM 0 HZ PHE A 26 -6.874 2.577 -0.204 1.00 0.39 H new ATOM 397 N ALA A 27 -13.681 7.475 0.952 1.00 0.53 N ATOM 398 CA ALA A 27 -14.618 8.590 1.021 1.00 0.62 C ATOM 399 C ALA A 27 -14.078 9.701 1.914 1.00 0.64 C ATOM 400 O ALA A 27 -14.213 9.648 3.136 1.00 0.65 O ATOM 401 CB ALA A 27 -15.970 8.115 1.527 1.00 0.65 C ATOM 0 H ALA A 27 -13.789 6.787 1.697 1.00 0.53 H new ATOM 0 HA ALA A 27 -14.742 8.992 0.015 1.00 0.62 H new ATOM 0 HB1 ALA A 27 -16.658 8.959 1.573 1.00 0.65 H new ATOM 0 HB2 ALA A 27 -16.367 7.359 0.849 1.00 0.65 H new ATOM 0 HB3 ALA A 27 -15.856 7.686 2.522 1.00 0.65 H new ATOM 407 N LEU A 28 -13.466 10.708 1.298 1.00 0.79 N ATOM 408 CA LEU A 28 -12.904 11.829 2.044 1.00 0.88 C ATOM 409 C LEU A 28 -13.834 13.038 1.998 1.00 0.88 C ATOM 410 O LEU A 28 -14.091 13.598 0.931 1.00 1.02 O ATOM 411 CB LEU A 28 -11.529 12.210 1.490 1.00 1.22 C ATOM 412 CG LEU A 28 -10.429 11.169 1.707 1.00 1.08 C ATOM 413 CD1 LEU A 28 -10.496 10.085 0.643 1.00 1.52 C ATOM 414 CD2 LEU A 28 -9.060 11.834 1.712 1.00 1.17 C ATOM 0 H LEU A 28 -13.347 10.771 0.287 1.00 0.79 H new ATOM 0 HA LEU A 28 -12.793 11.515 3.082 1.00 0.88 H new ATOM 0 HB2 LEU A 28 -11.625 12.397 0.420 1.00 1.22 H new ATOM 0 HB3 LEU A 28 -11.216 13.147 1.950 1.00 1.22 H new ATOM 0 HG LEU A 28 -10.587 10.700 2.678 1.00 1.08 H new ATOM 0 HD11 LEU A 28 -9.705 9.355 0.817 1.00 1.52 H new ATOM 0 HD12 LEU A 28 -11.465 9.588 0.691 1.00 1.52 H new ATOM 0 HD13 LEU A 28 -10.366 10.533 -0.342 1.00 1.52 H new ATOM 0 HD21 LEU A 28 -8.289 11.079 1.868 1.00 1.17 H new ATOM 0 HD22 LEU A 28 -8.893 12.331 0.756 1.00 1.17 H new ATOM 0 HD23 LEU A 28 -9.015 12.569 2.516 1.00 1.17 H new ATOM 426 N GLU A 29 -14.337 13.434 3.165 1.00 0.83 N ATOM 427 CA GLU A 29 -15.235 14.578 3.261 1.00 0.96 C ATOM 428 C GLU A 29 -14.446 15.883 3.300 1.00 1.04 C ATOM 429 O GLU A 29 -13.232 15.891 3.093 1.00 1.03 O ATOM 430 CB GLU A 29 -16.120 14.463 4.503 1.00 1.00 C ATOM 431 CG GLU A 29 -16.972 13.206 4.527 1.00 1.07 C ATOM 432 CD GLU A 29 -17.923 13.166 5.707 1.00 1.79 C ATOM 433 OE1 GLU A 29 -19.040 13.714 5.588 1.00 2.42 O ATOM 434 OE2 GLU A 29 -17.553 12.589 6.750 1.00 2.32 O ATOM 0 H GLU A 29 -14.137 12.979 4.056 1.00 0.83 H new ATOM 0 HA GLU A 29 -15.871 14.583 2.376 1.00 0.96 H new ATOM 0 HB2 GLU A 29 -15.489 14.481 5.392 1.00 1.00 H new ATOM 0 HB3 GLU A 29 -16.772 15.335 4.557 1.00 1.00 H new ATOM 0 HG2 GLU A 29 -17.545 13.143 3.602 1.00 1.07 H new ATOM 0 HG3 GLU A 29 -16.322 12.332 4.560 1.00 1.07 H new ATOM 441 N ASP A 30 -15.143 16.983 3.564 1.00 1.19 N ATOM 442 CA ASP A 30 -14.511 18.297 3.620 1.00 1.30 C ATOM 443 C ASP A 30 -13.302 18.297 4.554 1.00 1.12 C ATOM 444 O ASP A 30 -12.343 19.036 4.333 1.00 1.19 O ATOM 445 CB ASP A 30 -15.523 19.351 4.077 1.00 1.51 C ATOM 446 CG ASP A 30 -14.934 20.748 4.098 1.00 1.91 C ATOM 447 OD1 ASP A 30 -14.931 21.406 3.036 1.00 2.03 O ATOM 448 OD2 ASP A 30 -14.475 21.183 5.175 1.00 2.56 O ATOM 0 H ASP A 30 -16.147 16.991 3.743 1.00 1.19 H new ATOM 0 HA ASP A 30 -14.162 18.541 2.617 1.00 1.30 H new ATOM 0 HB2 ASP A 30 -16.387 19.334 3.412 1.00 1.51 H new ATOM 0 HB3 ASP A 30 -15.883 19.097 5.074 1.00 1.51 H new ATOM 453 N GLU A 31 -13.348 17.466 5.592 1.00 0.94 N ATOM 454 CA GLU A 31 -12.246 17.390 6.550 1.00 0.83 C ATOM 455 C GLU A 31 -12.199 16.032 7.249 1.00 0.75 C ATOM 456 O GLU A 31 -11.388 15.823 8.153 1.00 0.74 O ATOM 457 CB GLU A 31 -12.375 18.504 7.591 1.00 0.84 C ATOM 458 CG GLU A 31 -13.647 18.413 8.423 1.00 0.91 C ATOM 459 CD GLU A 31 -13.757 19.529 9.443 1.00 0.99 C ATOM 460 OE1 GLU A 31 -13.170 19.395 10.537 1.00 1.15 O ATOM 461 OE2 GLU A 31 -14.434 20.537 9.149 1.00 0.95 O ATOM 0 H GLU A 31 -14.129 16.840 5.791 1.00 0.94 H new ATOM 0 HA GLU A 31 -11.317 17.515 5.994 1.00 0.83 H new ATOM 0 HB2 GLU A 31 -11.512 18.471 8.256 1.00 0.84 H new ATOM 0 HB3 GLU A 31 -12.350 19.469 7.084 1.00 0.84 H new ATOM 0 HG2 GLU A 31 -14.513 18.444 7.761 1.00 0.91 H new ATOM 0 HG3 GLU A 31 -13.673 17.452 8.937 1.00 0.91 H new ATOM 468 N SER A 32 -13.065 15.114 6.833 1.00 0.75 N ATOM 469 CA SER A 32 -13.107 13.783 7.432 1.00 0.72 C ATOM 470 C SER A 32 -12.468 12.748 6.511 1.00 0.67 C ATOM 471 O SER A 32 -12.368 12.957 5.302 1.00 0.83 O ATOM 472 CB SER A 32 -14.550 13.383 7.745 1.00 0.84 C ATOM 473 OG SER A 32 -15.198 14.376 8.521 1.00 1.53 O ATOM 0 H SER A 32 -13.744 15.265 6.087 1.00 0.75 H new ATOM 0 HA SER A 32 -12.538 13.816 8.361 1.00 0.72 H new ATOM 0 HB2 SER A 32 -15.098 13.229 6.815 1.00 0.84 H new ATOM 0 HB3 SER A 32 -14.559 12.434 8.282 1.00 0.84 H new ATOM 0 HG SER A 32 -16.119 14.097 8.706 1.00 1.53 H new ATOM 479 N TYR A 33 -12.036 11.632 7.093 1.00 0.57 N ATOM 480 CA TYR A 33 -11.405 10.563 6.328 1.00 0.50 C ATOM 481 C TYR A 33 -12.080 9.223 6.598 1.00 0.46 C ATOM 482 O TYR A 33 -11.908 8.634 7.665 1.00 0.59 O ATOM 483 CB TYR A 33 -9.917 10.473 6.675 1.00 0.53 C ATOM 484 CG TYR A 33 -9.149 11.744 6.393 1.00 0.60 C ATOM 485 CD1 TYR A 33 -9.023 12.731 7.362 1.00 0.72 C ATOM 486 CD2 TYR A 33 -8.552 11.959 5.157 1.00 0.58 C ATOM 487 CE1 TYR A 33 -8.323 13.895 7.108 1.00 0.80 C ATOM 488 CE2 TYR A 33 -7.850 13.119 4.896 1.00 0.67 C ATOM 489 CZ TYR A 33 -7.738 14.084 5.874 1.00 0.76 C ATOM 490 OH TYR A 33 -7.040 15.241 5.616 1.00 0.86 O ATOM 0 H TYR A 33 -12.112 11.446 8.093 1.00 0.57 H new ATOM 0 HA TYR A 33 -11.515 10.796 5.269 1.00 0.50 H new ATOM 0 HB2 TYR A 33 -9.814 10.223 7.731 1.00 0.53 H new ATOM 0 HB3 TYR A 33 -9.470 9.656 6.109 1.00 0.53 H new ATOM 0 HD1 TYR A 33 -9.480 12.586 8.330 1.00 0.72 H new ATOM 0 HD2 TYR A 33 -8.638 11.206 4.387 1.00 0.58 H new ATOM 0 HE1 TYR A 33 -8.235 14.653 7.872 1.00 0.80 H new ATOM 0 HE2 TYR A 33 -7.391 13.270 3.930 1.00 0.67 H new ATOM 0 HH TYR A 33 -6.800 15.273 4.666 1.00 0.86 H new ATOM 500 N GLU A 34 -12.849 8.745 5.623 1.00 0.46 N ATOM 501 CA GLU A 34 -13.547 7.472 5.757 1.00 0.42 C ATOM 502 C GLU A 34 -12.932 6.415 4.846 1.00 0.39 C ATOM 503 O GLU A 34 -12.630 6.681 3.684 1.00 0.46 O ATOM 504 CB GLU A 34 -15.034 7.638 5.432 1.00 0.50 C ATOM 505 CG GLU A 34 -15.743 8.641 6.325 1.00 0.55 C ATOM 506 CD GLU A 34 -17.232 8.717 6.048 1.00 1.50 C ATOM 507 OE1 GLU A 34 -17.991 7.945 6.672 1.00 1.48 O ATOM 508 OE2 GLU A 34 -17.637 9.547 5.208 1.00 2.46 O ATOM 0 H GLU A 34 -13.004 9.220 4.734 1.00 0.46 H new ATOM 0 HA GLU A 34 -13.445 7.141 6.791 1.00 0.42 H new ATOM 0 HB2 GLU A 34 -15.137 7.952 4.393 1.00 0.50 H new ATOM 0 HB3 GLU A 34 -15.528 6.670 5.523 1.00 0.50 H new ATOM 0 HG2 GLU A 34 -15.585 8.369 7.368 1.00 0.55 H new ATOM 0 HG3 GLU A 34 -15.300 9.626 6.182 1.00 0.55 H new ATOM 515 N ILE A 35 -12.749 5.215 5.387 1.00 0.34 N ATOM 516 CA ILE A 35 -12.171 4.111 4.630 1.00 0.32 C ATOM 517 C ILE A 35 -12.982 2.835 4.827 1.00 0.26 C ATOM 518 O ILE A 35 -12.996 2.260 5.916 1.00 0.32 O ATOM 519 CB ILE A 35 -10.708 3.855 5.045 1.00 0.39 C ATOM 520 CG1 ILE A 35 -9.870 5.123 4.854 1.00 0.46 C ATOM 521 CG2 ILE A 35 -10.122 2.699 4.242 1.00 0.44 C ATOM 522 CD1 ILE A 35 -8.459 5.011 5.392 1.00 0.54 C ATOM 0 H ILE A 35 -12.993 4.982 6.350 1.00 0.34 H new ATOM 0 HA ILE A 35 -12.194 4.393 3.577 1.00 0.32 H new ATOM 0 HB ILE A 35 -10.688 3.585 6.101 1.00 0.39 H new ATOM 0 HG12 ILE A 35 -9.826 5.361 3.791 1.00 0.46 H new ATOM 0 HG13 ILE A 35 -10.371 5.956 5.347 1.00 0.46 H new ATOM 0 HG21 ILE A 35 -9.089 2.531 4.547 1.00 0.44 H new ATOM 0 HG22 ILE A 35 -10.705 1.797 4.424 1.00 0.44 H new ATOM 0 HG23 ILE A 35 -10.152 2.942 3.180 1.00 0.44 H new ATOM 0 HD11 ILE A 35 -7.929 5.948 5.220 1.00 0.54 H new ATOM 0 HD12 ILE A 35 -8.493 4.804 6.462 1.00 0.54 H new ATOM 0 HD13 ILE A 35 -7.939 4.200 4.882 1.00 0.54 H new ATOM 534 N TYR A 36 -13.662 2.401 3.771 1.00 0.21 N ATOM 535 CA TYR A 36 -14.477 1.192 3.830 1.00 0.21 C ATOM 536 C TYR A 36 -14.166 0.264 2.661 1.00 0.23 C ATOM 537 O TYR A 36 -13.368 0.596 1.786 1.00 0.48 O ATOM 538 CB TYR A 36 -15.965 1.553 3.825 1.00 0.29 C ATOM 539 CG TYR A 36 -16.411 2.319 5.050 1.00 1.07 C ATOM 540 CD1 TYR A 36 -16.608 1.674 6.264 1.00 2.26 C ATOM 541 CD2 TYR A 36 -16.632 3.691 4.992 1.00 0.96 C ATOM 542 CE1 TYR A 36 -17.013 2.373 7.385 1.00 3.30 C ATOM 543 CE2 TYR A 36 -17.036 4.396 6.110 1.00 1.97 C ATOM 544 CZ TYR A 36 -17.236 3.726 7.303 1.00 3.14 C ATOM 545 OH TYR A 36 -17.627 4.432 8.418 1.00 4.17 O ATOM 0 H TYR A 36 -13.665 2.868 2.864 1.00 0.21 H new ATOM 0 HA TYR A 36 -14.238 0.671 4.757 1.00 0.21 H new ATOM 0 HB2 TYR A 36 -16.182 2.147 2.937 1.00 0.29 H new ATOM 0 HB3 TYR A 36 -16.551 0.637 3.747 1.00 0.29 H new ATOM 0 HD1 TYR A 36 -16.442 0.609 6.333 1.00 2.26 H new ATOM 0 HD2 TYR A 36 -16.486 4.214 4.058 1.00 0.96 H new ATOM 0 HE1 TYR A 36 -17.154 1.857 8.323 1.00 3.30 H new ATOM 0 HE2 TYR A 36 -17.194 5.463 6.052 1.00 1.97 H new ATOM 0 HH TYR A 36 -17.740 5.377 8.184 1.00 4.17 H new ATOM 555 N VAL A 37 -14.801 -0.903 2.658 1.00 0.19 N ATOM 556 CA VAL A 37 -14.602 -1.886 1.599 1.00 0.17 C ATOM 557 C VAL A 37 -15.941 -2.295 0.988 1.00 0.18 C ATOM 558 O VAL A 37 -16.699 -3.058 1.587 1.00 0.27 O ATOM 559 CB VAL A 37 -13.883 -3.142 2.130 1.00 0.21 C ATOM 560 CG1 VAL A 37 -13.638 -4.138 1.005 1.00 0.24 C ATOM 561 CG2 VAL A 37 -12.576 -2.760 2.808 1.00 0.24 C ATOM 0 H VAL A 37 -15.461 -1.192 3.380 1.00 0.19 H new ATOM 0 HA VAL A 37 -13.979 -1.421 0.835 1.00 0.17 H new ATOM 0 HB VAL A 37 -14.525 -3.620 2.870 1.00 0.21 H new ATOM 0 HG11 VAL A 37 -13.130 -5.017 1.401 1.00 0.24 H new ATOM 0 HG12 VAL A 37 -14.591 -4.436 0.569 1.00 0.24 H new ATOM 0 HG13 VAL A 37 -13.017 -3.675 0.238 1.00 0.24 H new ATOM 0 HG21 VAL A 37 -12.081 -3.658 3.177 1.00 0.24 H new ATOM 0 HG22 VAL A 37 -11.927 -2.257 2.091 1.00 0.24 H new ATOM 0 HG23 VAL A 37 -12.781 -2.090 3.643 1.00 0.24 H new ATOM 571 N GLU A 38 -16.223 -1.781 -0.206 1.00 0.24 N ATOM 572 CA GLU A 38 -17.473 -2.082 -0.897 1.00 0.27 C ATOM 573 C GLU A 38 -17.344 -3.329 -1.767 1.00 0.31 C ATOM 574 O GLU A 38 -16.252 -3.674 -2.218 1.00 0.39 O ATOM 575 CB GLU A 38 -17.898 -0.892 -1.759 1.00 0.29 C ATOM 576 CG GLU A 38 -18.126 0.384 -0.964 1.00 0.33 C ATOM 577 CD GLU A 38 -19.252 0.253 0.042 1.00 1.05 C ATOM 578 OE1 GLU A 38 -18.977 -0.143 1.193 1.00 2.07 O ATOM 579 OE2 GLU A 38 -20.410 0.548 -0.322 1.00 0.89 O ATOM 0 H GLU A 38 -15.602 -1.153 -0.716 1.00 0.24 H new ATOM 0 HA GLU A 38 -18.233 -2.273 -0.140 1.00 0.27 H new ATOM 0 HB2 GLU A 38 -17.133 -0.709 -2.513 1.00 0.29 H new ATOM 0 HB3 GLU A 38 -18.815 -1.148 -2.291 1.00 0.29 H new ATOM 0 HG2 GLU A 38 -17.207 0.651 -0.442 1.00 0.33 H new ATOM 0 HG3 GLU A 38 -18.351 1.200 -1.651 1.00 0.33 H new ATOM 586 N ASP A 39 -18.471 -3.998 -1.997 1.00 0.35 N ATOM 587 CA ASP A 39 -18.496 -5.208 -2.813 1.00 0.43 C ATOM 588 C ASP A 39 -19.100 -4.926 -4.187 1.00 0.47 C ATOM 589 O ASP A 39 -20.037 -4.138 -4.314 1.00 0.61 O ATOM 590 CB ASP A 39 -19.294 -6.307 -2.109 1.00 0.52 C ATOM 591 CG ASP A 39 -19.366 -7.584 -2.924 1.00 1.42 C ATOM 592 OD1 ASP A 39 -20.280 -7.700 -3.767 1.00 2.20 O ATOM 593 OD2 ASP A 39 -18.508 -8.467 -2.719 1.00 1.91 O ATOM 0 H ASP A 39 -19.381 -3.721 -1.628 1.00 0.35 H new ATOM 0 HA ASP A 39 -17.468 -5.545 -2.949 1.00 0.43 H new ATOM 0 HB2 ASP A 39 -18.837 -6.521 -1.143 1.00 0.52 H new ATOM 0 HB3 ASP A 39 -20.304 -5.948 -1.911 1.00 0.52 H new ATOM 598 N LEU A 40 -18.557 -5.577 -5.211 1.00 0.46 N ATOM 599 CA LEU A 40 -19.038 -5.397 -6.576 1.00 0.53 C ATOM 600 C LEU A 40 -20.215 -6.319 -6.873 1.00 0.57 C ATOM 601 O LEU A 40 -20.127 -7.533 -6.691 1.00 0.62 O ATOM 602 CB LEU A 40 -17.907 -5.665 -7.572 1.00 0.62 C ATOM 603 CG LEU A 40 -16.801 -4.612 -7.599 1.00 0.86 C ATOM 604 CD1 LEU A 40 -15.619 -5.101 -8.419 1.00 1.05 C ATOM 605 CD2 LEU A 40 -17.332 -3.300 -8.157 1.00 1.02 C ATOM 0 H LEU A 40 -17.783 -6.235 -5.121 1.00 0.46 H new ATOM 0 HA LEU A 40 -19.376 -4.366 -6.679 1.00 0.53 H new ATOM 0 HB2 LEU A 40 -17.461 -6.632 -7.339 1.00 0.62 H new ATOM 0 HB3 LEU A 40 -18.336 -5.744 -8.571 1.00 0.62 H new ATOM 0 HG LEU A 40 -16.462 -4.441 -6.577 1.00 0.86 H new ATOM 0 HD11 LEU A 40 -14.841 -4.338 -8.427 1.00 1.05 H new ATOM 0 HD12 LEU A 40 -15.224 -6.017 -7.978 1.00 1.05 H new ATOM 0 HD13 LEU A 40 -15.942 -5.300 -9.441 1.00 1.05 H new ATOM 0 HD21 LEU A 40 -16.532 -2.560 -8.170 1.00 1.02 H new ATOM 0 HD22 LEU A 40 -17.697 -3.457 -9.172 1.00 1.02 H new ATOM 0 HD23 LEU A 40 -18.148 -2.942 -7.530 1.00 1.02 H new ATOM 617 N LYS A 41 -21.317 -5.733 -7.329 1.00 0.84 N ATOM 618 CA LYS A 41 -22.512 -6.502 -7.658 1.00 1.06 C ATOM 619 C LYS A 41 -22.686 -6.603 -9.171 1.00 1.17 C ATOM 620 O LYS A 41 -22.549 -7.681 -9.749 1.00 1.58 O ATOM 621 CB LYS A 41 -23.751 -5.859 -7.031 1.00 1.22 C ATOM 622 CG LYS A 41 -23.697 -5.778 -5.513 1.00 1.38 C ATOM 623 CD LYS A 41 -23.651 -7.160 -4.878 1.00 1.63 C ATOM 624 CE LYS A 41 -23.624 -7.076 -3.361 1.00 1.68 C ATOM 625 NZ LYS A 41 -24.862 -6.455 -2.816 1.00 2.27 N ATOM 0 H LYS A 41 -21.408 -4.728 -7.479 1.00 0.84 H new ATOM 0 HA LYS A 41 -22.393 -7.507 -7.252 1.00 1.06 H new ATOM 0 HB2 LYS A 41 -23.872 -4.854 -7.435 1.00 1.22 H new ATOM 0 HB3 LYS A 41 -24.633 -6.429 -7.324 1.00 1.22 H new ATOM 0 HG2 LYS A 41 -22.818 -5.209 -5.210 1.00 1.38 H new ATOM 0 HG3 LYS A 41 -24.569 -5.237 -5.146 1.00 1.38 H new ATOM 0 HD2 LYS A 41 -24.520 -7.737 -5.196 1.00 1.63 H new ATOM 0 HD3 LYS A 41 -22.768 -7.694 -5.230 1.00 1.63 H new ATOM 0 HE2 LYS A 41 -23.506 -8.076 -2.944 1.00 1.68 H new ATOM 0 HE3 LYS A 41 -22.757 -6.495 -3.045 1.00 1.68 H new ATOM 0 HZ1 LYS A 41 -24.906 -6.613 -1.789 1.00 2.27 H new ATOM 0 HZ2 LYS A 41 -24.852 -5.433 -3.009 1.00 2.27 H new ATOM 0 HZ3 LYS A 41 -25.694 -6.885 -3.269 1.00 2.27 H new ATOM 639 N LYS A 42 -22.989 -5.473 -9.803 1.00 1.21 N ATOM 640 CA LYS A 42 -23.177 -5.432 -11.248 1.00 1.37 C ATOM 641 C LYS A 42 -22.074 -4.618 -11.916 1.00 1.45 C ATOM 642 O LYS A 42 -21.155 -5.177 -12.516 1.00 1.51 O ATOM 643 CB LYS A 42 -24.547 -4.838 -11.588 1.00 1.51 C ATOM 644 CG LYS A 42 -25.705 -5.539 -10.893 1.00 1.51 C ATOM 645 CD LYS A 42 -25.757 -7.016 -11.250 1.00 1.81 C ATOM 646 CE LYS A 42 -26.915 -7.720 -10.558 1.00 1.87 C ATOM 647 NZ LYS A 42 -26.770 -7.706 -9.077 1.00 2.49 N ATOM 0 H LYS A 42 -23.109 -4.574 -9.336 1.00 1.21 H new ATOM 0 HA LYS A 42 -23.129 -6.453 -11.626 1.00 1.37 H new ATOM 0 HB2 LYS A 42 -24.554 -3.783 -11.313 1.00 1.51 H new ATOM 0 HB3 LYS A 42 -24.698 -4.888 -12.666 1.00 1.51 H new ATOM 0 HG2 LYS A 42 -25.604 -5.428 -9.813 1.00 1.51 H new ATOM 0 HG3 LYS A 42 -26.643 -5.062 -11.176 1.00 1.51 H new ATOM 0 HD2 LYS A 42 -25.857 -7.126 -12.330 1.00 1.81 H new ATOM 0 HD3 LYS A 42 -24.819 -7.493 -10.966 1.00 1.81 H new ATOM 0 HE2 LYS A 42 -27.851 -7.236 -10.835 1.00 1.87 H new ATOM 0 HE3 LYS A 42 -26.973 -8.751 -10.907 1.00 1.87 H new ATOM 0 HZ1 LYS A 42 -27.470 -8.348 -8.654 1.00 2.49 H new ATOM 0 HZ2 LYS A 42 -25.812 -8.019 -8.819 1.00 2.49 H new ATOM 0 HZ3 LYS A 42 -26.926 -6.741 -8.722 1.00 2.49 H new ATOM 661 N ASP A 43 -22.168 -3.296 -11.804 1.00 1.86 N ATOM 662 CA ASP A 43 -21.178 -2.403 -12.397 1.00 2.00 C ATOM 663 C ASP A 43 -21.034 -1.127 -11.574 1.00 1.95 C ATOM 664 O ASP A 43 -21.277 -0.025 -12.068 1.00 2.34 O ATOM 665 CB ASP A 43 -21.567 -2.058 -13.836 1.00 2.46 C ATOM 666 CG ASP A 43 -21.581 -3.273 -14.741 1.00 2.78 C ATOM 667 OD1 ASP A 43 -20.527 -3.581 -15.339 1.00 2.94 O ATOM 668 OD2 ASP A 43 -22.644 -3.918 -14.853 1.00 3.40 O ATOM 0 H ASP A 43 -22.921 -2.819 -11.307 1.00 1.86 H new ATOM 0 HA ASP A 43 -20.218 -2.919 -12.403 1.00 2.00 H new ATOM 0 HB2 ASP A 43 -22.553 -1.594 -13.841 1.00 2.46 H new ATOM 0 HB3 ASP A 43 -20.867 -1.322 -14.232 1.00 2.46 H new ATOM 673 N GLU A 44 -20.637 -1.283 -10.316 1.00 1.52 N ATOM 674 CA GLU A 44 -20.462 -0.145 -9.419 1.00 1.51 C ATOM 675 C GLU A 44 -19.153 0.581 -9.707 1.00 1.33 C ATOM 676 O GLU A 44 -18.116 -0.047 -9.917 1.00 1.10 O ATOM 677 CB GLU A 44 -20.493 -0.611 -7.963 1.00 1.42 C ATOM 678 CG GLU A 44 -21.826 -1.207 -7.547 1.00 1.69 C ATOM 679 CD GLU A 44 -22.962 -0.204 -7.615 1.00 2.24 C ATOM 680 OE1 GLU A 44 -23.561 -0.059 -8.702 1.00 2.84 O ATOM 681 OE2 GLU A 44 -23.250 0.437 -6.584 1.00 2.42 O ATOM 0 H GLU A 44 -20.430 -2.188 -9.893 1.00 1.52 H new ATOM 0 HA GLU A 44 -21.284 0.551 -9.589 1.00 1.51 H new ATOM 0 HB2 GLU A 44 -19.709 -1.352 -7.810 1.00 1.42 H new ATOM 0 HB3 GLU A 44 -20.263 0.234 -7.314 1.00 1.42 H new ATOM 0 HG2 GLU A 44 -22.057 -2.056 -8.191 1.00 1.69 H new ATOM 0 HG3 GLU A 44 -21.746 -1.591 -6.530 1.00 1.69 H new ATOM 688 N LYS A 45 -19.212 1.909 -9.713 1.00 1.57 N ATOM 689 CA LYS A 45 -18.031 2.727 -9.972 1.00 1.48 C ATOM 690 C LYS A 45 -17.159 2.824 -8.724 1.00 1.22 C ATOM 691 O LYS A 45 -17.517 3.496 -7.756 1.00 1.49 O ATOM 692 CB LYS A 45 -18.443 4.127 -10.431 1.00 1.83 C ATOM 693 CG LYS A 45 -19.221 4.145 -11.740 1.00 2.22 C ATOM 694 CD LYS A 45 -18.336 3.783 -12.925 1.00 1.95 C ATOM 695 CE LYS A 45 -18.446 2.307 -13.274 1.00 2.20 C ATOM 696 NZ LYS A 45 -19.823 1.940 -13.704 1.00 3.04 N ATOM 0 H LYS A 45 -20.065 2.442 -9.542 1.00 1.57 H new ATOM 0 HA LYS A 45 -17.454 2.250 -10.764 1.00 1.48 H new ATOM 0 HB2 LYS A 45 -19.050 4.589 -9.653 1.00 1.83 H new ATOM 0 HB3 LYS A 45 -17.548 4.739 -10.543 1.00 1.83 H new ATOM 0 HG2 LYS A 45 -20.053 3.443 -11.679 1.00 2.22 H new ATOM 0 HG3 LYS A 45 -19.650 5.135 -11.895 1.00 2.22 H new ATOM 0 HD2 LYS A 45 -18.620 4.384 -13.789 1.00 1.95 H new ATOM 0 HD3 LYS A 45 -17.299 4.027 -12.694 1.00 1.95 H new ATOM 0 HE2 LYS A 45 -17.741 2.069 -14.071 1.00 2.20 H new ATOM 0 HE3 LYS A 45 -18.164 1.707 -12.409 1.00 2.20 H new ATOM 0 HZ1 LYS A 45 -20.224 1.253 -13.034 1.00 3.04 H new ATOM 0 HZ2 LYS A 45 -20.419 2.792 -13.725 1.00 3.04 H new ATOM 0 HZ3 LYS A 45 -19.789 1.518 -14.654 1.00 3.04 H new ATOM 710 N LYS A 46 -16.015 2.149 -8.755 1.00 0.85 N ATOM 711 CA LYS A 46 -15.093 2.159 -7.625 1.00 0.63 C ATOM 712 C LYS A 46 -14.059 3.270 -7.773 1.00 0.59 C ATOM 713 O LYS A 46 -14.110 4.057 -8.719 1.00 0.73 O ATOM 714 CB LYS A 46 -14.399 0.802 -7.493 1.00 0.43 C ATOM 715 CG LYS A 46 -15.340 -0.320 -7.079 1.00 0.49 C ATOM 716 CD LYS A 46 -15.927 -0.077 -5.696 1.00 0.75 C ATOM 717 CE LYS A 46 -16.974 -1.121 -5.346 1.00 0.88 C ATOM 718 NZ LYS A 46 -16.391 -2.488 -5.269 1.00 1.71 N ATOM 0 H LYS A 46 -15.704 1.589 -9.549 1.00 0.85 H new ATOM 0 HA LYS A 46 -15.669 2.350 -6.719 1.00 0.63 H new ATOM 0 HB2 LYS A 46 -13.936 0.545 -8.446 1.00 0.43 H new ATOM 0 HB3 LYS A 46 -13.597 0.882 -6.760 1.00 0.43 H new ATOM 0 HG2 LYS A 46 -16.146 -0.407 -7.807 1.00 0.49 H new ATOM 0 HG3 LYS A 46 -14.802 -1.268 -7.085 1.00 0.49 H new ATOM 0 HD2 LYS A 46 -15.130 -0.096 -4.953 1.00 0.75 H new ATOM 0 HD3 LYS A 46 -16.375 0.916 -5.659 1.00 0.75 H new ATOM 0 HE2 LYS A 46 -17.434 -0.868 -4.391 1.00 0.88 H new ATOM 0 HE3 LYS A 46 -17.766 -1.106 -6.095 1.00 0.88 H new ATOM 0 HZ1 LYS A 46 -17.152 -3.194 -5.334 1.00 1.71 H new ATOM 0 HZ2 LYS A 46 -15.723 -2.625 -6.055 1.00 1.71 H new ATOM 0 HZ3 LYS A 46 -15.890 -2.601 -4.365 1.00 1.71 H new ATOM 732 N ASP A 47 -13.121 3.326 -6.834 1.00 0.48 N ATOM 733 CA ASP A 47 -12.083 4.351 -6.846 1.00 0.44 C ATOM 734 C ASP A 47 -10.715 3.754 -7.164 1.00 0.39 C ATOM 735 O ASP A 47 -10.276 2.803 -6.516 1.00 0.42 O ATOM 736 CB ASP A 47 -12.035 5.059 -5.492 1.00 0.45 C ATOM 737 CG ASP A 47 -11.056 6.218 -5.478 1.00 1.22 C ATOM 738 OD1 ASP A 47 -9.853 5.976 -5.253 1.00 2.20 O ATOM 739 OD2 ASP A 47 -11.495 7.367 -5.693 1.00 1.14 O ATOM 0 H ASP A 47 -13.058 2.672 -6.053 1.00 0.48 H new ATOM 0 HA ASP A 47 -12.330 5.070 -7.627 1.00 0.44 H new ATOM 0 HB2 ASP A 47 -13.031 5.425 -5.241 1.00 0.45 H new ATOM 0 HB3 ASP A 47 -11.756 4.342 -4.720 1.00 0.45 H new ATOM 744 N LYS A 48 -10.045 4.323 -8.162 1.00 0.37 N ATOM 745 CA LYS A 48 -8.720 3.857 -8.558 1.00 0.34 C ATOM 746 C LYS A 48 -7.644 4.517 -7.706 1.00 0.30 C ATOM 747 O LYS A 48 -7.820 5.640 -7.230 1.00 0.39 O ATOM 748 CB LYS A 48 -8.467 4.149 -10.041 1.00 0.41 C ATOM 749 CG LYS A 48 -9.074 3.121 -10.983 1.00 0.46 C ATOM 750 CD LYS A 48 -10.591 3.134 -10.928 1.00 0.64 C ATOM 751 CE LYS A 48 -11.193 2.080 -11.843 1.00 0.82 C ATOM 752 NZ LYS A 48 -12.681 2.109 -11.819 1.00 1.35 N ATOM 0 H LYS A 48 -10.398 5.107 -8.711 1.00 0.37 H new ATOM 0 HA LYS A 48 -8.678 2.779 -8.402 1.00 0.34 H new ATOM 0 HB2 LYS A 48 -8.872 5.132 -10.282 1.00 0.41 H new ATOM 0 HB3 LYS A 48 -7.392 4.196 -10.214 1.00 0.41 H new ATOM 0 HG2 LYS A 48 -8.745 3.323 -12.002 1.00 0.46 H new ATOM 0 HG3 LYS A 48 -8.709 2.128 -10.721 1.00 0.46 H new ATOM 0 HD2 LYS A 48 -10.920 2.958 -9.904 1.00 0.64 H new ATOM 0 HD3 LYS A 48 -10.958 4.119 -11.216 1.00 0.64 H new ATOM 0 HE2 LYS A 48 -10.843 2.242 -12.863 1.00 0.82 H new ATOM 0 HE3 LYS A 48 -10.844 1.093 -11.539 1.00 0.82 H new ATOM 0 HZ1 LYS A 48 -13.053 1.376 -12.456 1.00 1.35 H new ATOM 0 HZ2 LYS A 48 -13.016 1.930 -10.851 1.00 1.35 H new ATOM 0 HZ3 LYS A 48 -13.015 3.042 -12.134 1.00 1.35 H new ATOM 766 N VAL A 49 -6.532 3.816 -7.509 1.00 0.29 N ATOM 767 CA VAL A 49 -5.434 4.339 -6.708 1.00 0.27 C ATOM 768 C VAL A 49 -4.150 4.443 -7.526 1.00 0.23 C ATOM 769 O VAL A 49 -3.726 3.480 -8.162 1.00 0.28 O ATOM 770 CB VAL A 49 -5.172 3.458 -5.470 1.00 0.31 C ATOM 771 CG1 VAL A 49 -4.056 4.043 -4.617 1.00 0.61 C ATOM 772 CG2 VAL A 49 -6.445 3.292 -4.653 1.00 0.87 C ATOM 0 H VAL A 49 -6.369 2.885 -7.893 1.00 0.29 H new ATOM 0 HA VAL A 49 -5.731 5.335 -6.381 1.00 0.27 H new ATOM 0 HB VAL A 49 -4.854 2.473 -5.813 1.00 0.31 H new ATOM 0 HG11 VAL A 49 -3.889 3.405 -3.749 1.00 0.61 H new ATOM 0 HG12 VAL A 49 -3.141 4.102 -5.206 1.00 0.61 H new ATOM 0 HG13 VAL A 49 -4.338 5.042 -4.284 1.00 0.61 H new ATOM 0 HG21 VAL A 49 -6.240 2.667 -3.784 1.00 0.87 H new ATOM 0 HG22 VAL A 49 -6.796 4.270 -4.323 1.00 0.87 H new ATOM 0 HG23 VAL A 49 -7.212 2.820 -5.267 1.00 0.87 H new ATOM 782 N LEU A 50 -3.540 5.623 -7.509 1.00 0.21 N ATOM 783 CA LEU A 50 -2.300 5.854 -8.238 1.00 0.21 C ATOM 784 C LEU A 50 -1.155 5.074 -7.601 1.00 0.20 C ATOM 785 O LEU A 50 -0.675 5.427 -6.523 1.00 0.26 O ATOM 786 CB LEU A 50 -1.967 7.350 -8.262 1.00 0.24 C ATOM 787 CG LEU A 50 -0.585 7.703 -8.818 1.00 0.29 C ATOM 788 CD1 LEU A 50 -0.470 7.291 -10.278 1.00 0.31 C ATOM 789 CD2 LEU A 50 -0.314 9.192 -8.658 1.00 0.35 C ATOM 0 H LEU A 50 -3.885 6.435 -6.997 1.00 0.21 H new ATOM 0 HA LEU A 50 -2.433 5.507 -9.263 1.00 0.21 H new ATOM 0 HB2 LEU A 50 -2.722 7.864 -8.857 1.00 0.24 H new ATOM 0 HB3 LEU A 50 -2.042 7.739 -7.246 1.00 0.24 H new ATOM 0 HG LEU A 50 0.165 7.152 -8.250 1.00 0.29 H new ATOM 0 HD11 LEU A 50 0.520 7.551 -10.653 1.00 0.31 H new ATOM 0 HD12 LEU A 50 -0.620 6.215 -10.365 1.00 0.31 H new ATOM 0 HD13 LEU A 50 -1.228 7.811 -10.864 1.00 0.31 H new ATOM 0 HD21 LEU A 50 0.672 9.427 -9.058 1.00 0.35 H new ATOM 0 HD22 LEU A 50 -1.070 9.760 -9.200 1.00 0.35 H new ATOM 0 HD23 LEU A 50 -0.350 9.457 -7.601 1.00 0.35 H new ATOM 801 N LEU A 51 -0.722 4.011 -8.271 1.00 0.20 N ATOM 802 CA LEU A 51 0.362 3.177 -7.764 1.00 0.22 C ATOM 803 C LEU A 51 1.651 3.400 -8.543 1.00 0.23 C ATOM 804 O LEU A 51 1.670 3.330 -9.772 1.00 0.37 O ATOM 805 CB LEU A 51 -0.034 1.701 -7.810 1.00 0.24 C ATOM 806 CG LEU A 51 -0.657 1.174 -6.518 1.00 0.58 C ATOM 807 CD1 LEU A 51 -2.060 1.724 -6.329 1.00 0.98 C ATOM 808 CD2 LEU A 51 -0.671 -0.346 -6.496 1.00 1.50 C ATOM 0 H LEU A 51 -1.105 3.707 -9.166 1.00 0.20 H new ATOM 0 HA LEU A 51 0.543 3.465 -6.728 1.00 0.22 H new ATOM 0 HB2 LEU A 51 -0.740 1.552 -8.627 1.00 0.24 H new ATOM 0 HB3 LEU A 51 0.850 1.107 -8.041 1.00 0.24 H new ATOM 0 HG LEU A 51 -0.040 1.518 -5.688 1.00 0.58 H new ATOM 0 HD11 LEU A 51 -2.482 1.334 -5.403 1.00 0.98 H new ATOM 0 HD12 LEU A 51 -2.021 2.812 -6.280 1.00 0.98 H new ATOM 0 HD13 LEU A 51 -2.686 1.421 -7.168 1.00 0.98 H new ATOM 0 HD21 LEU A 51 -1.120 -0.692 -5.565 1.00 1.50 H new ATOM 0 HD22 LEU A 51 -1.253 -0.717 -7.340 1.00 1.50 H new ATOM 0 HD23 LEU A 51 0.350 -0.720 -6.568 1.00 1.50 H new ATOM 820 N SER A 52 2.730 3.673 -7.813 1.00 0.17 N ATOM 821 CA SER A 52 4.033 3.902 -8.433 1.00 0.18 C ATOM 822 C SER A 52 5.101 3.014 -7.801 1.00 0.20 C ATOM 823 O SER A 52 5.046 2.716 -6.610 1.00 0.28 O ATOM 824 CB SER A 52 4.433 5.372 -8.301 1.00 0.18 C ATOM 825 OG SER A 52 3.428 6.224 -8.822 1.00 1.18 O ATOM 0 H SER A 52 2.728 3.741 -6.795 1.00 0.17 H new ATOM 0 HA SER A 52 3.953 3.648 -9.490 1.00 0.18 H new ATOM 0 HB2 SER A 52 4.609 5.611 -7.252 1.00 0.18 H new ATOM 0 HB3 SER A 52 5.371 5.546 -8.829 1.00 0.18 H new ATOM 0 HG SER A 52 3.765 7.144 -8.857 1.00 1.18 H new ATOM 831 N TYR A 53 6.072 2.594 -8.607 1.00 0.19 N ATOM 832 CA TYR A 53 7.153 1.741 -8.120 1.00 0.21 C ATOM 833 C TYR A 53 8.430 2.545 -7.895 1.00 0.20 C ATOM 834 O TYR A 53 8.622 3.604 -8.494 1.00 0.21 O ATOM 835 CB TYR A 53 7.423 0.602 -9.103 1.00 0.25 C ATOM 836 CG TYR A 53 6.489 -0.576 -8.936 1.00 0.36 C ATOM 837 CD1 TYR A 53 6.704 -1.518 -7.938 1.00 0.52 C ATOM 838 CD2 TYR A 53 5.394 -0.746 -9.774 1.00 0.52 C ATOM 839 CE1 TYR A 53 5.855 -2.596 -7.779 1.00 0.64 C ATOM 840 CE2 TYR A 53 4.540 -1.823 -9.622 1.00 0.65 C ATOM 841 CZ TYR A 53 4.775 -2.745 -8.623 1.00 0.66 C ATOM 842 OH TYR A 53 3.929 -3.817 -8.469 1.00 0.82 O ATOM 0 H TYR A 53 6.133 2.829 -9.598 1.00 0.19 H new ATOM 0 HA TYR A 53 6.838 1.320 -7.165 1.00 0.21 H new ATOM 0 HB2 TYR A 53 7.336 0.983 -10.121 1.00 0.25 H new ATOM 0 HB3 TYR A 53 8.451 0.261 -8.978 1.00 0.25 H new ATOM 0 HD1 TYR A 53 7.549 -1.406 -7.275 1.00 0.52 H new ATOM 0 HD2 TYR A 53 5.207 -0.026 -10.557 1.00 0.52 H new ATOM 0 HE1 TYR A 53 6.036 -3.319 -6.997 1.00 0.64 H new ATOM 0 HE2 TYR A 53 3.693 -1.942 -10.282 1.00 0.65 H new ATOM 0 HH TYR A 53 3.219 -3.773 -9.143 1.00 0.82 H new ATOM 852 N TYR A 54 9.294 2.037 -7.023 1.00 0.21 N ATOM 853 CA TYR A 54 10.556 2.704 -6.714 1.00 0.22 C ATOM 854 C TYR A 54 11.667 1.685 -6.481 1.00 0.25 C ATOM 855 O TYR A 54 11.407 0.544 -6.102 1.00 0.31 O ATOM 856 CB TYR A 54 10.402 3.590 -5.477 1.00 0.22 C ATOM 857 CG TYR A 54 9.602 4.849 -5.725 1.00 0.23 C ATOM 858 CD1 TYR A 54 10.225 6.015 -6.152 1.00 0.31 C ATOM 859 CD2 TYR A 54 8.227 4.873 -5.534 1.00 0.22 C ATOM 860 CE1 TYR A 54 9.501 7.170 -6.379 1.00 0.35 C ATOM 861 CE2 TYR A 54 7.495 6.024 -5.761 1.00 0.25 C ATOM 862 CZ TYR A 54 8.137 7.169 -6.182 1.00 0.30 C ATOM 863 OH TYR A 54 7.412 8.317 -6.409 1.00 0.35 O ATOM 0 H TYR A 54 9.144 1.164 -6.516 1.00 0.21 H new ATOM 0 HA TYR A 54 10.825 3.325 -7.568 1.00 0.22 H new ATOM 0 HB2 TYR A 54 9.920 3.014 -4.687 1.00 0.22 H new ATOM 0 HB3 TYR A 54 11.392 3.865 -5.113 1.00 0.22 H new ATOM 0 HD1 TYR A 54 11.293 6.019 -6.309 1.00 0.31 H new ATOM 0 HD2 TYR A 54 7.721 3.978 -5.203 1.00 0.22 H new ATOM 0 HE1 TYR A 54 10.001 8.068 -6.709 1.00 0.35 H new ATOM 0 HE2 TYR A 54 6.426 6.026 -5.609 1.00 0.25 H new ATOM 0 HH TYR A 54 6.465 8.147 -6.225 1.00 0.35 H new ATOM 873 N GLU A 55 12.908 2.107 -6.714 1.00 0.26 N ATOM 874 CA GLU A 55 14.059 1.232 -6.522 1.00 0.30 C ATOM 875 C GLU A 55 14.867 1.665 -5.303 1.00 0.33 C ATOM 876 O GLU A 55 15.263 2.825 -5.185 1.00 0.53 O ATOM 877 CB GLU A 55 14.945 1.226 -7.773 1.00 0.44 C ATOM 878 CG GLU A 55 15.498 2.592 -8.148 1.00 1.14 C ATOM 879 CD GLU A 55 16.349 2.552 -9.402 1.00 1.52 C ATOM 880 OE1 GLU A 55 15.776 2.452 -10.508 1.00 1.73 O ATOM 881 OE2 GLU A 55 17.589 2.624 -9.280 1.00 2.05 O ATOM 0 H GLU A 55 13.140 3.047 -7.035 1.00 0.26 H new ATOM 0 HA GLU A 55 13.693 0.220 -6.351 1.00 0.30 H new ATOM 0 HB2 GLU A 55 15.777 0.540 -7.613 1.00 0.44 H new ATOM 0 HB3 GLU A 55 14.368 0.836 -8.612 1.00 0.44 H new ATOM 0 HG2 GLU A 55 14.671 3.286 -8.297 1.00 1.14 H new ATOM 0 HG3 GLU A 55 16.094 2.978 -7.321 1.00 1.14 H new ATOM 888 N SER A 56 15.101 0.725 -4.394 1.00 0.45 N ATOM 889 CA SER A 56 15.855 1.003 -3.181 1.00 0.57 C ATOM 890 C SER A 56 17.356 0.987 -3.451 1.00 0.83 C ATOM 891 O SER A 56 17.858 0.128 -4.177 1.00 1.21 O ATOM 892 CB SER A 56 15.505 -0.023 -2.105 1.00 0.71 C ATOM 893 OG SER A 56 15.779 -1.341 -2.546 1.00 1.19 O ATOM 0 H SER A 56 14.777 -0.239 -4.476 1.00 0.45 H new ATOM 0 HA SER A 56 15.585 1.999 -2.832 1.00 0.57 H new ATOM 0 HB2 SER A 56 16.075 0.186 -1.200 1.00 0.71 H new ATOM 0 HB3 SER A 56 14.450 0.064 -1.845 1.00 0.71 H new ATOM 0 HG SER A 56 14.950 -1.760 -2.859 1.00 1.19 H new ATOM 899 N GLN A 57 18.069 1.942 -2.859 1.00 0.92 N ATOM 900 CA GLN A 57 19.515 2.037 -3.032 1.00 1.22 C ATOM 901 C GLN A 57 20.233 1.816 -1.704 1.00 1.17 C ATOM 902 O GLN A 57 20.182 2.662 -0.812 1.00 1.33 O ATOM 903 CB GLN A 57 19.895 3.401 -3.615 1.00 1.70 C ATOM 904 CG GLN A 57 21.382 3.557 -3.884 1.00 1.81 C ATOM 905 CD GLN A 57 21.716 4.865 -4.575 1.00 2.29 C ATOM 906 OE1 GLN A 57 21.036 5.871 -4.385 1.00 2.89 O ATOM 907 NE2 GLN A 57 22.769 4.854 -5.386 1.00 2.56 N ATOM 0 H GLN A 57 17.669 2.660 -2.256 1.00 0.92 H new ATOM 0 HA GLN A 57 19.826 1.258 -3.728 1.00 1.22 H new ATOM 0 HB2 GLN A 57 19.348 3.554 -4.546 1.00 1.70 H new ATOM 0 HB3 GLN A 57 19.575 4.183 -2.926 1.00 1.70 H new ATOM 0 HG2 GLN A 57 21.926 3.499 -2.941 1.00 1.81 H new ATOM 0 HG3 GLN A 57 21.725 2.727 -4.501 1.00 1.81 H new ATOM 0 HE21 GLN A 57 23.305 3.996 -5.514 1.00 2.56 H new ATOM 0 HE22 GLN A 57 23.041 5.704 -5.880 1.00 2.56 H new ATOM 916 N HIS A 58 20.898 0.671 -1.583 1.00 1.16 N ATOM 917 CA HIS A 58 21.626 0.333 -0.365 1.00 1.25 C ATOM 918 C HIS A 58 23.120 0.619 -0.521 1.00 1.32 C ATOM 919 O HIS A 58 23.656 0.557 -1.628 1.00 1.40 O ATOM 920 CB HIS A 58 21.408 -1.140 -0.016 1.00 1.42 C ATOM 921 CG HIS A 58 19.994 -1.461 0.364 1.00 1.68 C ATOM 922 ND1 HIS A 58 18.940 -1.377 -0.520 1.00 2.18 N ATOM 923 CD2 HIS A 58 19.465 -1.865 1.543 1.00 2.23 C ATOM 924 CE1 HIS A 58 17.821 -1.711 0.098 1.00 2.52 C ATOM 925 NE2 HIS A 58 18.114 -2.013 1.350 1.00 2.46 N ATOM 0 H HIS A 58 20.948 -0.039 -2.314 1.00 1.16 H new ATOM 0 HA HIS A 58 21.243 0.955 0.444 1.00 1.25 H new ATOM 0 HB2 HIS A 58 21.695 -1.754 -0.870 1.00 1.42 H new ATOM 0 HB3 HIS A 58 22.068 -1.412 0.808 1.00 1.42 H new ATOM 0 HD2 HIS A 58 20.004 -2.038 2.462 1.00 2.23 H new ATOM 0 HE1 HIS A 58 16.836 -1.733 -0.344 1.00 2.52 H new ATOM 0 HE2 HIS A 58 17.444 -2.309 2.060 1.00 2.46 H new ATOM 934 N PRO A 59 23.813 0.937 0.591 1.00 1.53 N ATOM 935 CA PRO A 59 25.251 1.231 0.570 1.00 1.67 C ATOM 936 C PRO A 59 26.075 0.054 0.059 1.00 1.84 C ATOM 937 O PRO A 59 25.822 -1.096 0.419 1.00 2.52 O ATOM 938 CB PRO A 59 25.589 1.519 2.038 1.00 2.10 C ATOM 939 CG PRO A 59 24.284 1.858 2.674 1.00 2.33 C ATOM 940 CD PRO A 59 23.256 1.038 1.951 1.00 1.88 C ATOM 0 HA PRO A 59 25.482 2.058 -0.101 1.00 1.67 H new ATOM 0 HB2 PRO A 59 26.047 0.653 2.515 1.00 2.10 H new ATOM 0 HB3 PRO A 59 26.297 2.343 2.126 1.00 2.10 H new ATOM 0 HG2 PRO A 59 24.294 1.623 3.738 1.00 2.33 H new ATOM 0 HG3 PRO A 59 24.069 2.923 2.584 1.00 2.33 H new ATOM 0 HD2 PRO A 59 23.127 0.057 2.409 1.00 1.88 H new ATOM 0 HD3 PRO A 59 22.279 1.522 1.953 1.00 1.88 H new ATOM 948 N SER A 60 27.063 0.350 -0.781 1.00 1.87 N ATOM 949 CA SER A 60 27.925 -0.683 -1.345 1.00 2.25 C ATOM 950 C SER A 60 28.864 -1.257 -0.286 1.00 2.28 C ATOM 951 O SER A 60 29.889 -0.659 0.040 1.00 2.89 O ATOM 952 CB SER A 60 28.738 -0.113 -2.509 1.00 2.98 C ATOM 953 OG SER A 60 29.585 -1.100 -3.071 1.00 3.59 O ATOM 0 H SER A 60 27.286 1.297 -1.086 1.00 1.87 H new ATOM 0 HA SER A 60 27.289 -1.490 -1.710 1.00 2.25 H new ATOM 0 HB2 SER A 60 28.063 0.270 -3.274 1.00 2.98 H new ATOM 0 HB3 SER A 60 29.336 0.729 -2.161 1.00 2.98 H new ATOM 0 HG SER A 60 30.093 -0.711 -3.814 1.00 3.59 H new ATOM 959 N ASN A 61 28.503 -2.422 0.245 1.00 2.36 N ATOM 960 CA ASN A 61 29.308 -3.086 1.263 1.00 2.83 C ATOM 961 C ASN A 61 29.674 -4.501 0.823 1.00 3.18 C ATOM 962 O ASN A 61 28.866 -5.198 0.209 1.00 3.77 O ATOM 963 CB ASN A 61 28.552 -3.131 2.592 1.00 3.70 C ATOM 964 CG ASN A 61 29.353 -3.795 3.697 1.00 4.39 C ATOM 965 OD1 ASN A 61 28.794 -4.455 4.573 1.00 4.96 O ATOM 966 ND2 ASN A 61 30.670 -3.622 3.661 1.00 4.80 N ATOM 0 H ASN A 61 27.655 -2.926 -0.015 1.00 2.36 H new ATOM 0 HA ASN A 61 30.227 -2.515 1.397 1.00 2.83 H new ATOM 0 HB2 ASN A 61 28.295 -2.116 2.894 1.00 3.70 H new ATOM 0 HB3 ASN A 61 27.614 -3.669 2.454 1.00 3.70 H new ATOM 0 HD21 ASN A 61 31.260 -4.044 4.378 1.00 4.80 H new ATOM 0 HD22 ASN A 61 31.091 -3.067 2.916 1.00 4.80 H new ATOM 973 N GLU A 62 30.898 -4.917 1.137 1.00 3.41 N ATOM 974 CA GLU A 62 31.371 -6.250 0.775 1.00 4.31 C ATOM 975 C GLU A 62 30.529 -7.325 1.454 1.00 4.66 C ATOM 976 O GLU A 62 30.335 -7.296 2.669 1.00 5.26 O ATOM 977 CB GLU A 62 32.845 -6.422 1.154 1.00 5.11 C ATOM 978 CG GLU A 62 33.788 -5.496 0.400 1.00 6.02 C ATOM 979 CD GLU A 62 33.647 -4.045 0.815 1.00 6.49 C ATOM 980 OE1 GLU A 62 34.291 -3.647 1.807 1.00 6.66 O ATOM 981 OE2 GLU A 62 32.892 -3.306 0.147 1.00 6.92 O ATOM 0 H GLU A 62 31.580 -4.350 1.641 1.00 3.41 H new ATOM 0 HA GLU A 62 31.272 -6.360 -0.305 1.00 4.31 H new ATOM 0 HB2 GLU A 62 32.958 -6.246 2.224 1.00 5.11 H new ATOM 0 HB3 GLU A 62 33.140 -7.455 0.968 1.00 5.11 H new ATOM 0 HG2 GLU A 62 34.816 -5.818 0.567 1.00 6.02 H new ATOM 0 HG3 GLU A 62 33.596 -5.583 -0.669 1.00 6.02 H new ATOM 988 N SER A 63 30.035 -8.273 0.659 1.00 4.71 N ATOM 989 CA SER A 63 29.210 -9.365 1.172 1.00 5.40 C ATOM 990 C SER A 63 27.931 -8.829 1.813 1.00 5.72 C ATOM 991 O SER A 63 27.730 -7.618 1.905 1.00 6.12 O ATOM 992 CB SER A 63 29.992 -10.202 2.187 1.00 6.13 C ATOM 993 OG SER A 63 31.146 -10.775 1.597 1.00 6.64 O ATOM 0 H SER A 63 30.193 -8.306 -0.348 1.00 4.71 H new ATOM 0 HA SER A 63 28.936 -10.000 0.329 1.00 5.40 H new ATOM 0 HB2 SER A 63 30.284 -9.576 3.030 1.00 6.13 H new ATOM 0 HB3 SER A 63 29.352 -10.991 2.582 1.00 6.13 H new ATOM 0 HG SER A 63 31.628 -11.303 2.267 1.00 6.64 H new ATOM 999 N GLY A 64 27.068 -9.742 2.249 1.00 5.83 N ATOM 1000 CA GLY A 64 25.820 -9.344 2.872 1.00 6.37 C ATOM 1001 C GLY A 64 24.689 -10.305 2.564 1.00 6.20 C ATOM 1002 O GLY A 64 23.880 -10.623 3.437 1.00 6.52 O ATOM 0 H GLY A 64 27.211 -10.750 2.182 1.00 5.83 H new ATOM 0 HA2 GLY A 64 25.959 -9.284 3.951 1.00 6.37 H new ATOM 0 HA3 GLY A 64 25.548 -8.345 2.530 1.00 6.37 H new ATOM 1006 N ASP A 65 24.635 -10.768 1.317 1.00 5.88 N ATOM 1007 CA ASP A 65 23.600 -11.703 0.883 1.00 5.83 C ATOM 1008 C ASP A 65 22.205 -11.145 1.151 1.00 5.38 C ATOM 1009 O ASP A 65 21.643 -11.340 2.229 1.00 5.77 O ATOM 1010 CB ASP A 65 23.770 -13.051 1.588 1.00 6.69 C ATOM 1011 CG ASP A 65 22.740 -14.070 1.145 1.00 7.43 C ATOM 1012 OD1 ASP A 65 22.951 -14.712 0.095 1.00 7.57 O ATOM 1013 OD2 ASP A 65 21.718 -14.225 1.847 1.00 8.04 O ATOM 0 H ASP A 65 25.299 -10.509 0.587 1.00 5.88 H new ATOM 0 HA ASP A 65 23.709 -11.847 -0.192 1.00 5.83 H new ATOM 0 HB2 ASP A 65 24.769 -13.438 1.389 1.00 6.69 H new ATOM 0 HB3 ASP A 65 23.693 -12.906 2.666 1.00 6.69 H new ATOM 1018 N GLY A 66 21.651 -10.453 0.160 1.00 4.75 N ATOM 1019 CA GLY A 66 20.327 -9.875 0.305 1.00 4.50 C ATOM 1020 C GLY A 66 19.229 -10.919 0.275 1.00 4.15 C ATOM 1021 O GLY A 66 19.197 -11.821 1.112 1.00 4.62 O ATOM 0 H GLY A 66 22.096 -10.282 -0.742 1.00 4.75 H new ATOM 0 HA2 GLY A 66 20.275 -9.326 1.245 1.00 4.50 H new ATOM 0 HA3 GLY A 66 20.160 -9.154 -0.495 1.00 4.50 H new ATOM 1025 N VAL A 67 18.327 -10.796 -0.695 1.00 3.74 N ATOM 1026 CA VAL A 67 17.219 -11.733 -0.835 1.00 3.83 C ATOM 1027 C VAL A 67 16.938 -12.039 -2.303 1.00 3.19 C ATOM 1028 O VAL A 67 15.783 -12.076 -2.731 1.00 3.45 O ATOM 1029 CB VAL A 67 15.937 -11.186 -0.176 1.00 4.57 C ATOM 1030 CG1 VAL A 67 16.088 -11.149 1.338 1.00 5.42 C ATOM 1031 CG2 VAL A 67 15.608 -9.804 -0.718 1.00 4.44 C ATOM 0 H VAL A 67 18.343 -10.055 -1.396 1.00 3.74 H new ATOM 0 HA VAL A 67 17.514 -12.652 -0.329 1.00 3.83 H new ATOM 0 HB VAL A 67 15.111 -11.855 -0.420 1.00 4.57 H new ATOM 0 HG11 VAL A 67 15.173 -10.760 1.785 1.00 5.42 H new ATOM 0 HG12 VAL A 67 16.274 -12.157 1.710 1.00 5.42 H new ATOM 0 HG13 VAL A 67 16.925 -10.504 1.605 1.00 5.42 H new ATOM 0 HG21 VAL A 67 14.700 -9.433 -0.242 1.00 4.44 H new ATOM 0 HG22 VAL A 67 16.433 -9.124 -0.506 1.00 4.44 H new ATOM 0 HG23 VAL A 67 15.455 -9.863 -1.796 1.00 4.44 H new ATOM 1041 N ASP A 68 18.005 -12.259 -3.070 1.00 2.69 N ATOM 1042 CA ASP A 68 17.881 -12.564 -4.493 1.00 2.47 C ATOM 1043 C ASP A 68 17.130 -11.455 -5.227 1.00 1.74 C ATOM 1044 O ASP A 68 15.987 -11.636 -5.646 1.00 2.03 O ATOM 1045 CB ASP A 68 17.167 -13.904 -4.692 1.00 3.50 C ATOM 1046 CG ASP A 68 17.878 -15.048 -3.996 1.00 4.42 C ATOM 1047 OD1 ASP A 68 18.774 -15.655 -4.617 1.00 4.69 O ATOM 1048 OD2 ASP A 68 17.537 -15.336 -2.830 1.00 5.19 O ATOM 0 H ASP A 68 18.966 -12.231 -2.728 1.00 2.69 H new ATOM 0 HA ASP A 68 18.885 -12.633 -4.911 1.00 2.47 H new ATOM 0 HB2 ASP A 68 16.148 -13.829 -4.313 1.00 3.50 H new ATOM 0 HB3 ASP A 68 17.095 -14.119 -5.758 1.00 3.50 H new ATOM 1053 N GLY A 69 17.785 -10.307 -5.380 1.00 1.09 N ATOM 1054 CA GLY A 69 17.167 -9.185 -6.061 1.00 0.76 C ATOM 1055 C GLY A 69 16.725 -8.099 -5.101 1.00 0.68 C ATOM 1056 O GLY A 69 16.065 -8.378 -4.099 1.00 0.66 O ATOM 0 H GLY A 69 18.733 -10.135 -5.044 1.00 1.09 H new ATOM 0 HA2 GLY A 69 17.872 -8.766 -6.779 1.00 0.76 H new ATOM 0 HA3 GLY A 69 16.306 -9.537 -6.628 1.00 0.76 H new ATOM 1060 N LYS A 70 17.091 -6.857 -5.407 1.00 0.67 N ATOM 1061 CA LYS A 70 16.728 -5.723 -4.564 1.00 0.60 C ATOM 1062 C LYS A 70 15.215 -5.625 -4.410 1.00 0.51 C ATOM 1063 O LYS A 70 14.465 -5.910 -5.343 1.00 0.50 O ATOM 1064 CB LYS A 70 17.276 -4.423 -5.156 1.00 0.66 C ATOM 1065 CG LYS A 70 18.794 -4.378 -5.248 1.00 0.76 C ATOM 1066 CD LYS A 70 19.441 -4.210 -3.881 1.00 1.25 C ATOM 1067 CE LYS A 70 19.841 -5.550 -3.281 1.00 1.58 C ATOM 1068 NZ LYS A 70 20.852 -6.250 -4.117 1.00 2.43 N ATOM 0 H LYS A 70 17.638 -6.611 -6.232 1.00 0.67 H new ATOM 0 HA LYS A 70 17.168 -5.879 -3.579 1.00 0.60 H new ATOM 0 HB2 LYS A 70 16.857 -4.285 -6.153 1.00 0.66 H new ATOM 0 HB3 LYS A 70 16.934 -3.586 -4.548 1.00 0.66 H new ATOM 0 HG2 LYS A 70 19.157 -5.296 -5.711 1.00 0.76 H new ATOM 0 HG3 LYS A 70 19.094 -3.554 -5.895 1.00 0.76 H new ATOM 0 HD2 LYS A 70 20.321 -3.574 -3.970 1.00 1.25 H new ATOM 0 HD3 LYS A 70 18.748 -3.703 -3.210 1.00 1.25 H new ATOM 0 HE2 LYS A 70 20.242 -5.394 -2.280 1.00 1.58 H new ATOM 0 HE3 LYS A 70 18.957 -6.180 -3.176 1.00 1.58 H new ATOM 0 HZ1 LYS A 70 21.446 -6.852 -3.512 1.00 2.43 H new ATOM 0 HZ2 LYS A 70 20.369 -6.839 -4.825 1.00 2.43 H new ATOM 0 HZ3 LYS A 70 21.449 -5.549 -4.600 1.00 2.43 H new ATOM 1082 N MET A 71 14.774 -5.218 -3.224 1.00 0.45 N ATOM 1083 CA MET A 71 13.352 -5.080 -2.941 1.00 0.36 C ATOM 1084 C MET A 71 12.785 -3.822 -3.593 1.00 0.33 C ATOM 1085 O MET A 71 13.358 -2.738 -3.477 1.00 0.36 O ATOM 1086 CB MET A 71 13.116 -5.041 -1.430 1.00 0.35 C ATOM 1087 CG MET A 71 13.807 -3.879 -0.735 1.00 0.39 C ATOM 1088 SD MET A 71 13.631 -3.936 1.059 1.00 0.40 S ATOM 1089 CE MET A 71 14.363 -2.367 1.519 1.00 0.47 C ATOM 0 H MET A 71 15.384 -4.978 -2.442 1.00 0.45 H new ATOM 0 HA MET A 71 12.836 -5.944 -3.360 1.00 0.36 H new ATOM 0 HB2 MET A 71 12.044 -4.982 -1.240 1.00 0.35 H new ATOM 0 HB3 MET A 71 13.466 -5.976 -0.992 1.00 0.35 H new ATOM 0 HG2 MET A 71 14.866 -3.885 -0.992 1.00 0.39 H new ATOM 0 HG3 MET A 71 13.394 -2.941 -1.107 1.00 0.39 H new ATOM 0 HE1 MET A 71 15.020 -2.510 2.377 1.00 0.47 H new ATOM 0 HE2 MET A 71 14.940 -1.975 0.682 1.00 0.47 H new ATOM 0 HE3 MET A 71 13.575 -1.660 1.778 1.00 0.47 H new ATOM 1099 N LEU A 72 11.658 -3.974 -4.282 1.00 0.30 N ATOM 1100 CA LEU A 72 11.012 -2.849 -4.951 1.00 0.29 C ATOM 1101 C LEU A 72 9.953 -2.217 -4.051 1.00 0.28 C ATOM 1102 O LEU A 72 9.155 -2.917 -3.428 1.00 0.33 O ATOM 1103 CB LEU A 72 10.372 -3.308 -6.266 1.00 0.29 C ATOM 1104 CG LEU A 72 11.355 -3.773 -7.343 1.00 0.32 C ATOM 1105 CD1 LEU A 72 10.609 -4.393 -8.513 1.00 0.34 C ATOM 1106 CD2 LEU A 72 12.216 -2.611 -7.818 1.00 0.34 C ATOM 0 H LEU A 72 11.173 -4.865 -4.392 1.00 0.30 H new ATOM 0 HA LEU A 72 11.774 -2.101 -5.168 1.00 0.29 H new ATOM 0 HB2 LEU A 72 9.682 -4.124 -6.050 1.00 0.29 H new ATOM 0 HB3 LEU A 72 9.779 -2.487 -6.669 1.00 0.29 H new ATOM 0 HG LEU A 72 12.007 -4.531 -6.908 1.00 0.32 H new ATOM 0 HD11 LEU A 72 11.324 -4.718 -9.269 1.00 0.34 H new ATOM 0 HD12 LEU A 72 10.034 -5.251 -8.164 1.00 0.34 H new ATOM 0 HD13 LEU A 72 9.933 -3.655 -8.946 1.00 0.34 H new ATOM 0 HD21 LEU A 72 12.909 -2.961 -8.583 1.00 0.34 H new ATOM 0 HD22 LEU A 72 11.578 -1.832 -8.235 1.00 0.34 H new ATOM 0 HD23 LEU A 72 12.779 -2.207 -6.976 1.00 0.34 H new ATOM 1118 N MET A 73 9.955 -0.889 -3.986 1.00 0.26 N ATOM 1119 CA MET A 73 8.997 -0.161 -3.164 1.00 0.26 C ATOM 1120 C MET A 73 7.797 0.291 -3.993 1.00 0.21 C ATOM 1121 O MET A 73 7.848 0.294 -5.223 1.00 0.20 O ATOM 1122 CB MET A 73 9.669 1.046 -2.508 1.00 0.30 C ATOM 1123 CG MET A 73 10.851 0.672 -1.626 1.00 0.36 C ATOM 1124 SD MET A 73 11.548 2.088 -0.754 1.00 1.17 S ATOM 1125 CE MET A 73 12.053 3.121 -2.128 1.00 0.80 C ATOM 0 H MET A 73 10.611 -0.295 -4.494 1.00 0.26 H new ATOM 0 HA MET A 73 8.640 -0.834 -2.385 1.00 0.26 H new ATOM 0 HB2 MET A 73 10.007 1.731 -3.285 1.00 0.30 H new ATOM 0 HB3 MET A 73 8.933 1.582 -1.909 1.00 0.30 H new ATOM 0 HG2 MET A 73 10.534 -0.076 -0.899 1.00 0.36 H new ATOM 0 HG3 MET A 73 11.625 0.212 -2.240 1.00 0.36 H new ATOM 0 HE1 MET A 73 12.674 3.938 -1.760 1.00 0.80 H new ATOM 0 HE2 MET A 73 12.623 2.525 -2.841 1.00 0.80 H new ATOM 0 HE3 MET A 73 11.170 3.529 -2.620 1.00 0.80 H new ATOM 1135 N VAL A 74 6.723 0.678 -3.309 1.00 0.20 N ATOM 1136 CA VAL A 74 5.506 1.122 -3.979 1.00 0.16 C ATOM 1137 C VAL A 74 4.812 2.234 -3.200 1.00 0.17 C ATOM 1138 O VAL A 74 4.848 2.263 -1.969 1.00 0.24 O ATOM 1139 CB VAL A 74 4.510 -0.045 -4.167 1.00 0.18 C ATOM 1140 CG1 VAL A 74 4.049 -0.587 -2.823 1.00 0.26 C ATOM 1141 CG2 VAL A 74 3.316 0.389 -5.002 1.00 0.14 C ATOM 0 H VAL A 74 6.672 0.693 -2.290 1.00 0.20 H new ATOM 0 HA VAL A 74 5.811 1.501 -4.954 1.00 0.16 H new ATOM 0 HB VAL A 74 5.028 -0.843 -4.699 1.00 0.18 H new ATOM 0 HG11 VAL A 74 3.349 -1.407 -2.982 1.00 0.26 H new ATOM 0 HG12 VAL A 74 4.910 -0.949 -2.262 1.00 0.26 H new ATOM 0 HG13 VAL A 74 3.557 0.206 -2.260 1.00 0.26 H new ATOM 0 HG21 VAL A 74 2.630 -0.450 -5.120 1.00 0.14 H new ATOM 0 HG22 VAL A 74 2.802 1.210 -4.503 1.00 0.14 H new ATOM 0 HG23 VAL A 74 3.658 0.718 -5.983 1.00 0.14 H new ATOM 1151 N THR A 75 4.187 3.151 -3.932 1.00 0.12 N ATOM 1152 CA THR A 75 3.458 4.254 -3.325 1.00 0.12 C ATOM 1153 C THR A 75 2.009 4.235 -3.791 1.00 0.11 C ATOM 1154 O THR A 75 1.737 4.090 -4.988 1.00 0.11 O ATOM 1155 CB THR A 75 4.086 5.618 -3.672 1.00 0.16 C ATOM 1156 OG1 THR A 75 4.205 5.757 -5.091 1.00 0.18 O ATOM 1157 CG2 THR A 75 5.455 5.763 -3.024 1.00 0.18 C ATOM 0 H THR A 75 4.172 3.150 -4.952 1.00 0.12 H new ATOM 0 HA THR A 75 3.507 4.124 -2.244 1.00 0.12 H new ATOM 0 HB THR A 75 3.435 6.402 -3.286 1.00 0.16 H new ATOM 0 HG1 THR A 75 3.529 5.201 -5.532 1.00 0.18 H new ATOM 0 HG21 THR A 75 5.879 6.733 -3.283 1.00 0.18 H new ATOM 0 HG22 THR A 75 5.355 5.688 -1.941 1.00 0.18 H new ATOM 0 HG23 THR A 75 6.113 4.972 -3.383 1.00 0.18 H new ATOM 1165 N LEU A 76 1.087 4.382 -2.845 1.00 0.12 N ATOM 1166 CA LEU A 76 -0.338 4.362 -3.155 1.00 0.14 C ATOM 1167 C LEU A 76 -0.967 5.736 -2.933 1.00 0.14 C ATOM 1168 O LEU A 76 -0.860 6.311 -1.849 1.00 0.18 O ATOM 1169 CB LEU A 76 -1.049 3.311 -2.289 1.00 0.18 C ATOM 1170 CG LEU A 76 -0.237 2.037 -2.004 1.00 0.16 C ATOM 1171 CD1 LEU A 76 -1.067 1.027 -1.232 1.00 0.21 C ATOM 1172 CD2 LEU A 76 0.254 1.411 -3.293 1.00 0.16 C ATOM 0 H LEU A 76 1.301 4.516 -1.857 1.00 0.12 H new ATOM 0 HA LEU A 76 -0.455 4.100 -4.207 1.00 0.14 H new ATOM 0 HB2 LEU A 76 -1.319 3.770 -1.338 1.00 0.18 H new ATOM 0 HB3 LEU A 76 -1.979 3.027 -2.782 1.00 0.18 H new ATOM 0 HG LEU A 76 0.623 2.323 -1.399 1.00 0.16 H new ATOM 0 HD11 LEU A 76 -0.470 0.135 -1.043 1.00 0.21 H new ATOM 0 HD12 LEU A 76 -1.380 1.462 -0.283 1.00 0.21 H new ATOM 0 HD13 LEU A 76 -1.948 0.758 -1.815 1.00 0.21 H new ATOM 0 HD21 LEU A 76 0.826 0.511 -3.066 1.00 0.16 H new ATOM 0 HD22 LEU A 76 -0.599 1.150 -3.919 1.00 0.16 H new ATOM 0 HD23 LEU A 76 0.889 2.120 -3.823 1.00 0.16 H new ATOM 1184 N SER A 77 -1.624 6.255 -3.968 1.00 0.20 N ATOM 1185 CA SER A 77 -2.267 7.564 -3.890 1.00 0.23 C ATOM 1186 C SER A 77 -3.664 7.523 -4.512 1.00 0.23 C ATOM 1187 O SER A 77 -3.825 7.791 -5.702 1.00 0.19 O ATOM 1188 CB SER A 77 -1.415 8.614 -4.603 1.00 0.26 C ATOM 1189 OG SER A 77 -1.984 9.907 -4.480 1.00 0.29 O ATOM 0 H SER A 77 -1.725 5.789 -4.870 1.00 0.20 H new ATOM 0 HA SER A 77 -2.363 7.832 -2.838 1.00 0.23 H new ATOM 0 HB2 SER A 77 -0.409 8.615 -4.184 1.00 0.26 H new ATOM 0 HB3 SER A 77 -1.321 8.354 -5.657 1.00 0.26 H new ATOM 0 HG SER A 77 -2.762 9.980 -5.072 1.00 0.29 H new ATOM 1195 N PRO A 78 -4.698 7.199 -3.712 1.00 0.30 N ATOM 1196 CA PRO A 78 -6.079 7.124 -4.202 1.00 0.33 C ATOM 1197 C PRO A 78 -6.596 8.475 -4.679 1.00 0.34 C ATOM 1198 O PRO A 78 -7.526 8.547 -5.483 1.00 0.41 O ATOM 1199 CB PRO A 78 -6.876 6.653 -2.980 1.00 0.39 C ATOM 1200 CG PRO A 78 -6.031 7.016 -1.807 1.00 0.41 C ATOM 1201 CD PRO A 78 -4.608 6.892 -2.273 1.00 0.37 C ATOM 0 HA PRO A 78 -6.165 6.460 -5.062 1.00 0.33 H new ATOM 0 HB2 PRO A 78 -7.850 7.141 -2.931 1.00 0.39 H new ATOM 0 HB3 PRO A 78 -7.059 5.579 -3.018 1.00 0.39 H new ATOM 0 HG2 PRO A 78 -6.245 8.030 -1.470 1.00 0.41 H new ATOM 0 HG3 PRO A 78 -6.226 6.352 -0.965 1.00 0.41 H new ATOM 0 HD2 PRO A 78 -3.951 7.589 -1.753 1.00 0.37 H new ATOM 0 HD3 PRO A 78 -4.213 5.891 -2.099 1.00 0.37 H new ATOM 1209 N THR A 79 -5.982 9.543 -4.183 1.00 0.34 N ATOM 1210 CA THR A 79 -6.378 10.894 -4.555 1.00 0.37 C ATOM 1211 C THR A 79 -5.223 11.647 -5.208 1.00 0.36 C ATOM 1212 O THR A 79 -4.278 11.039 -5.709 1.00 0.32 O ATOM 1213 CB THR A 79 -6.873 11.687 -3.333 1.00 0.44 C ATOM 1214 OG1 THR A 79 -5.815 11.823 -2.382 1.00 0.52 O ATOM 1215 CG2 THR A 79 -8.061 10.996 -2.681 1.00 0.51 C ATOM 0 H THR A 79 -5.207 9.498 -3.521 1.00 0.34 H new ATOM 0 HA THR A 79 -7.194 10.800 -5.272 1.00 0.37 H new ATOM 0 HB THR A 79 -7.190 12.673 -3.671 1.00 0.44 H new ATOM 0 HG1 THR A 79 -5.520 10.935 -2.092 1.00 0.52 H new ATOM 0 HG21 THR A 79 -8.392 11.576 -1.820 1.00 0.51 H new ATOM 0 HG22 THR A 79 -8.876 10.917 -3.400 1.00 0.51 H new ATOM 0 HG23 THR A 79 -7.768 9.998 -2.355 1.00 0.51 H new ATOM 1223 N LYS A 80 -5.305 12.975 -5.196 1.00 0.41 N ATOM 1224 CA LYS A 80 -4.277 13.815 -5.794 1.00 0.43 C ATOM 1225 C LYS A 80 -2.960 13.758 -5.012 1.00 0.43 C ATOM 1226 O LYS A 80 -2.068 12.979 -5.348 1.00 0.47 O ATOM 1227 CB LYS A 80 -4.768 15.264 -5.893 1.00 0.46 C ATOM 1228 CG LYS A 80 -6.165 15.403 -6.486 1.00 0.44 C ATOM 1229 CD LYS A 80 -6.274 14.754 -7.859 1.00 0.43 C ATOM 1230 CE LYS A 80 -5.555 15.564 -8.932 1.00 1.19 C ATOM 1231 NZ LYS A 80 -4.073 15.456 -8.822 1.00 2.08 N ATOM 0 H LYS A 80 -6.077 13.492 -4.776 1.00 0.41 H new ATOM 0 HA LYS A 80 -4.082 13.428 -6.794 1.00 0.43 H new ATOM 0 HB2 LYS A 80 -4.760 15.709 -4.898 1.00 0.46 H new ATOM 0 HB3 LYS A 80 -4.067 15.834 -6.502 1.00 0.46 H new ATOM 0 HG2 LYS A 80 -6.891 14.948 -5.812 1.00 0.44 H new ATOM 0 HG3 LYS A 80 -6.421 16.460 -6.564 1.00 0.44 H new ATOM 0 HD2 LYS A 80 -5.853 13.750 -7.820 1.00 0.43 H new ATOM 0 HD3 LYS A 80 -7.325 14.648 -8.128 1.00 0.43 H new ATOM 0 HE2 LYS A 80 -5.870 15.219 -9.917 1.00 1.19 H new ATOM 0 HE3 LYS A 80 -5.848 16.611 -8.852 1.00 1.19 H new ATOM 0 HZ1 LYS A 80 -3.661 15.350 -9.771 1.00 2.08 H new ATOM 0 HZ2 LYS A 80 -3.695 16.315 -8.375 1.00 2.08 H new ATOM 0 HZ3 LYS A 80 -3.827 14.627 -8.243 1.00 2.08 H new ATOM 1245 N ASP A 81 -2.841 14.586 -3.974 1.00 0.41 N ATOM 1246 CA ASP A 81 -1.620 14.641 -3.171 1.00 0.43 C ATOM 1247 C ASP A 81 -1.657 13.690 -1.976 1.00 0.43 C ATOM 1248 O ASP A 81 -0.647 13.072 -1.646 1.00 0.61 O ATOM 1249 CB ASP A 81 -1.374 16.070 -2.681 1.00 0.42 C ATOM 1250 CG ASP A 81 -1.212 17.055 -3.821 1.00 0.44 C ATOM 1251 OD1 ASP A 81 -0.086 17.170 -4.351 1.00 0.48 O ATOM 1252 OD2 ASP A 81 -2.209 17.713 -4.184 1.00 0.44 O ATOM 0 H ASP A 81 -3.574 15.227 -3.670 1.00 0.41 H new ATOM 0 HA ASP A 81 -0.803 14.321 -3.818 1.00 0.43 H new ATOM 0 HB2 ASP A 81 -2.206 16.383 -2.051 1.00 0.42 H new ATOM 0 HB3 ASP A 81 -0.479 16.088 -2.059 1.00 0.42 H new ATOM 1257 N PHE A 82 -2.813 13.581 -1.324 1.00 0.31 N ATOM 1258 CA PHE A 82 -2.953 12.717 -0.150 1.00 0.30 C ATOM 1259 C PHE A 82 -2.367 11.328 -0.402 1.00 0.27 C ATOM 1260 O PHE A 82 -2.822 10.599 -1.283 1.00 0.32 O ATOM 1261 CB PHE A 82 -4.422 12.594 0.259 1.00 0.31 C ATOM 1262 CG PHE A 82 -5.056 13.902 0.638 1.00 0.34 C ATOM 1263 CD1 PHE A 82 -4.985 14.372 1.939 1.00 0.34 C ATOM 1264 CD2 PHE A 82 -5.722 14.663 -0.310 1.00 0.43 C ATOM 1265 CE1 PHE A 82 -5.567 15.577 2.289 1.00 0.39 C ATOM 1266 CE2 PHE A 82 -6.306 15.867 0.033 1.00 0.47 C ATOM 1267 CZ PHE A 82 -6.232 16.321 1.341 1.00 0.44 C ATOM 0 H PHE A 82 -3.664 14.078 -1.586 1.00 0.31 H new ATOM 0 HA PHE A 82 -2.394 13.181 0.663 1.00 0.30 H new ATOM 0 HB2 PHE A 82 -4.984 12.154 -0.565 1.00 0.31 H new ATOM 0 HB3 PHE A 82 -4.499 11.906 1.101 1.00 0.31 H new ATOM 0 HD1 PHE A 82 -4.469 13.791 2.689 1.00 0.34 H new ATOM 0 HD2 PHE A 82 -5.785 14.310 -1.329 1.00 0.43 H new ATOM 0 HE1 PHE A 82 -5.500 15.934 3.306 1.00 0.39 H new ATOM 0 HE2 PHE A 82 -6.819 16.453 -0.715 1.00 0.47 H new ATOM 0 HZ PHE A 82 -6.695 17.257 1.616 1.00 0.44 H new ATOM 1277 N TRP A 83 -1.351 10.973 0.388 1.00 0.22 N ATOM 1278 CA TRP A 83 -0.696 9.673 0.267 1.00 0.20 C ATOM 1279 C TRP A 83 -1.004 8.792 1.475 1.00 0.19 C ATOM 1280 O TRP A 83 -1.455 9.280 2.513 1.00 0.22 O ATOM 1281 CB TRP A 83 0.820 9.844 0.136 1.00 0.21 C ATOM 1282 CG TRP A 83 1.268 10.223 -1.241 1.00 0.22 C ATOM 1283 CD1 TRP A 83 1.185 9.456 -2.367 1.00 0.25 C ATOM 1284 CD2 TRP A 83 1.881 11.453 -1.638 1.00 0.27 C ATOM 1285 NE1 TRP A 83 1.702 10.137 -3.442 1.00 0.31 N ATOM 1286 CE2 TRP A 83 2.136 11.366 -3.021 1.00 0.32 C ATOM 1287 CE3 TRP A 83 2.237 12.624 -0.962 1.00 0.31 C ATOM 1288 CZ2 TRP A 83 2.730 12.403 -3.735 1.00 0.39 C ATOM 1289 CZ3 TRP A 83 2.827 13.653 -1.672 1.00 0.38 C ATOM 1290 CH2 TRP A 83 3.066 13.536 -3.047 1.00 0.41 C ATOM 0 H TRP A 83 -0.965 11.571 1.119 1.00 0.22 H new ATOM 0 HA TRP A 83 -1.083 9.190 -0.630 1.00 0.20 H new ATOM 0 HB2 TRP A 83 1.152 10.608 0.839 1.00 0.21 H new ATOM 0 HB3 TRP A 83 1.308 8.912 0.423 1.00 0.21 H new ATOM 0 HD1 TRP A 83 0.773 8.459 -2.407 1.00 0.25 H new ATOM 0 HE1 TRP A 83 1.754 9.785 -4.398 1.00 0.31 H new ATOM 0 HE3 TRP A 83 2.054 12.723 0.098 1.00 0.31 H new ATOM 0 HZ2 TRP A 83 2.919 12.316 -4.795 1.00 0.39 H new ATOM 0 HZ3 TRP A 83 3.108 14.561 -1.159 1.00 0.38 H new ATOM 0 HH2 TRP A 83 3.526 14.358 -3.575 1.00 0.41 H new ATOM 1301 N LEU A 84 -0.752 7.494 1.331 1.00 0.16 N ATOM 1302 CA LEU A 84 -0.990 6.539 2.408 1.00 0.17 C ATOM 1303 C LEU A 84 0.170 6.533 3.396 1.00 0.17 C ATOM 1304 O LEU A 84 1.326 6.353 3.009 1.00 0.24 O ATOM 1305 CB LEU A 84 -1.192 5.131 1.841 1.00 0.19 C ATOM 1306 CG LEU A 84 -2.644 4.739 1.553 1.00 0.14 C ATOM 1307 CD1 LEU A 84 -3.274 5.702 0.560 1.00 0.22 C ATOM 1308 CD2 LEU A 84 -2.715 3.310 1.029 1.00 0.16 C ATOM 0 H LEU A 84 -0.382 7.079 0.476 1.00 0.16 H new ATOM 0 HA LEU A 84 -1.895 6.846 2.933 1.00 0.17 H new ATOM 0 HB2 LEU A 84 -0.620 5.045 0.917 1.00 0.19 H new ATOM 0 HB3 LEU A 84 -0.772 4.411 2.544 1.00 0.19 H new ATOM 0 HG LEU A 84 -3.205 4.795 2.486 1.00 0.14 H new ATOM 0 HD11 LEU A 84 -4.305 5.405 0.370 1.00 0.22 H new ATOM 0 HD12 LEU A 84 -3.257 6.711 0.971 1.00 0.22 H new ATOM 0 HD13 LEU A 84 -2.712 5.681 -0.374 1.00 0.22 H new ATOM 0 HD21 LEU A 84 -3.754 3.047 0.829 1.00 0.16 H new ATOM 0 HD22 LEU A 84 -2.137 3.231 0.108 1.00 0.16 H new ATOM 0 HD23 LEU A 84 -2.305 2.628 1.774 1.00 0.16 H new ATOM 1320 N HIS A 85 -0.143 6.729 4.672 1.00 0.23 N ATOM 1321 CA HIS A 85 0.872 6.736 5.716 1.00 0.24 C ATOM 1322 C HIS A 85 0.525 5.738 6.813 1.00 0.27 C ATOM 1323 O HIS A 85 -0.563 5.782 7.388 1.00 0.36 O ATOM 1324 CB HIS A 85 1.020 8.138 6.311 1.00 0.24 C ATOM 1325 CG HIS A 85 1.662 9.118 5.379 1.00 0.23 C ATOM 1326 ND1 HIS A 85 0.951 10.071 4.681 1.00 0.29 N ATOM 1327 CD2 HIS A 85 2.960 9.293 5.034 1.00 0.33 C ATOM 1328 CE1 HIS A 85 1.784 10.788 3.945 1.00 0.29 C ATOM 1329 NE2 HIS A 85 3.008 10.335 4.143 1.00 0.30 N ATOM 0 H HIS A 85 -1.093 6.885 5.008 1.00 0.23 H new ATOM 0 HA HIS A 85 1.821 6.443 5.267 1.00 0.24 H new ATOM 0 HB2 HIS A 85 0.035 8.510 6.594 1.00 0.24 H new ATOM 0 HB3 HIS A 85 1.612 8.076 7.224 1.00 0.24 H new ATOM 0 HD2 HIS A 85 3.801 8.719 5.394 1.00 0.33 H new ATOM 0 HE1 HIS A 85 1.510 11.604 3.293 1.00 0.29 H new ATOM 0 HE2 HIS A 85 3.853 10.701 3.704 1.00 0.30 H new ATOM 1338 N ALA A 86 1.457 4.835 7.093 1.00 0.27 N ATOM 1339 CA ALA A 86 1.254 3.817 8.116 1.00 0.31 C ATOM 1340 C ALA A 86 1.517 4.374 9.511 1.00 0.29 C ATOM 1341 O ALA A 86 2.645 4.738 9.845 1.00 0.47 O ATOM 1342 CB ALA A 86 2.150 2.619 7.848 1.00 0.47 C ATOM 0 H ALA A 86 2.362 4.787 6.625 1.00 0.27 H new ATOM 0 HA ALA A 86 0.212 3.499 8.074 1.00 0.31 H new ATOM 0 HB1 ALA A 86 1.990 1.865 8.619 1.00 0.47 H new ATOM 0 HB2 ALA A 86 1.911 2.197 6.872 1.00 0.47 H new ATOM 0 HB3 ALA A 86 3.193 2.935 7.861 1.00 0.47 H new ATOM 1348 N ASN A 87 0.465 4.437 10.323 1.00 0.33 N ATOM 1349 CA ASN A 87 0.579 4.944 11.686 1.00 0.43 C ATOM 1350 C ASN A 87 0.738 3.794 12.674 1.00 0.46 C ATOM 1351 O ASN A 87 -0.127 2.924 12.775 1.00 0.53 O ATOM 1352 CB ASN A 87 -0.652 5.778 12.047 1.00 0.56 C ATOM 1353 CG ASN A 87 -0.754 7.048 11.224 1.00 1.09 C ATOM 1354 OD1 ASN A 87 0.257 7.612 10.803 1.00 1.83 O ATOM 1355 ND2 ASN A 87 -1.978 7.505 10.989 1.00 1.83 N ATOM 0 H ASN A 87 -0.476 4.143 10.060 1.00 0.33 H new ATOM 0 HA ASN A 87 1.464 5.577 11.743 1.00 0.43 H new ATOM 0 HB2 ASN A 87 -1.550 5.178 11.897 1.00 0.56 H new ATOM 0 HB3 ASN A 87 -0.614 6.037 13.105 1.00 0.56 H new ATOM 0 HD21 ASN A 87 -2.108 8.355 10.440 1.00 1.83 H new ATOM 0 HD22 ASN A 87 -2.788 7.006 11.357 1.00 1.83 H new ATOM 1362 N ASN A 88 1.852 3.793 13.400 1.00 0.49 N ATOM 1363 CA ASN A 88 2.127 2.748 14.377 1.00 0.56 C ATOM 1364 C ASN A 88 1.322 2.960 15.654 1.00 0.60 C ATOM 1365 O ASN A 88 1.164 2.041 16.459 1.00 0.73 O ATOM 1366 CB ASN A 88 3.622 2.707 14.702 1.00 0.65 C ATOM 1367 CG ASN A 88 3.985 1.547 15.609 1.00 1.56 C ATOM 1368 OD1 ASN A 88 4.322 0.460 15.141 1.00 2.56 O ATOM 1369 ND2 ASN A 88 3.917 1.774 16.916 1.00 1.79 N ATOM 0 H ASN A 88 2.579 4.505 13.329 1.00 0.49 H new ATOM 0 HA ASN A 88 1.828 1.795 13.941 1.00 0.56 H new ATOM 0 HB2 ASN A 88 4.191 2.632 13.775 1.00 0.65 H new ATOM 0 HB3 ASN A 88 3.913 3.643 15.179 1.00 0.65 H new ATOM 0 HD21 ASN A 88 4.149 1.031 17.575 1.00 1.79 H new ATOM 0 HD22 ASN A 88 3.633 2.691 17.260 1.00 1.79 H new ATOM 1376 N LYS A 89 0.812 4.175 15.836 1.00 0.56 N ATOM 1377 CA LYS A 89 0.025 4.503 17.020 1.00 0.63 C ATOM 1378 C LYS A 89 -1.260 3.681 17.068 1.00 0.61 C ATOM 1379 O LYS A 89 -1.504 2.950 18.028 1.00 0.77 O ATOM 1380 CB LYS A 89 -0.308 5.997 17.044 1.00 0.72 C ATOM 1381 CG LYS A 89 0.917 6.890 17.144 1.00 1.41 C ATOM 1382 CD LYS A 89 0.527 8.343 17.368 1.00 1.89 C ATOM 1383 CE LYS A 89 1.753 9.237 17.490 1.00 2.63 C ATOM 1384 NZ LYS A 89 1.381 10.655 17.756 1.00 3.20 N ATOM 0 H LYS A 89 0.930 4.947 15.180 1.00 0.56 H new ATOM 0 HA LYS A 89 0.623 4.259 17.898 1.00 0.63 H new ATOM 0 HB2 LYS A 89 -0.861 6.252 16.140 1.00 0.72 H new ATOM 0 HB3 LYS A 89 -0.966 6.201 17.889 1.00 0.72 H new ATOM 0 HG2 LYS A 89 1.550 6.551 17.964 1.00 1.41 H new ATOM 0 HG3 LYS A 89 1.506 6.806 16.231 1.00 1.41 H new ATOM 0 HD2 LYS A 89 -0.094 8.686 16.540 1.00 1.89 H new ATOM 0 HD3 LYS A 89 -0.075 8.424 18.273 1.00 1.89 H new ATOM 0 HE2 LYS A 89 2.390 8.872 18.295 1.00 2.63 H new ATOM 0 HE3 LYS A 89 2.336 9.181 16.571 1.00 2.63 H new ATOM 0 HZ1 LYS A 89 2.243 11.232 17.832 1.00 3.20 H new ATOM 0 HZ2 LYS A 89 0.794 11.012 16.976 1.00 3.20 H new ATOM 0 HZ3 LYS A 89 0.846 10.712 18.646 1.00 3.20 H new ATOM 1398 N GLU A 90 -2.079 3.805 16.027 1.00 0.52 N ATOM 1399 CA GLU A 90 -3.338 3.070 15.954 1.00 0.55 C ATOM 1400 C GLU A 90 -3.200 1.832 15.074 1.00 0.41 C ATOM 1401 O GLU A 90 -4.173 1.119 14.832 1.00 0.42 O ATOM 1402 CB GLU A 90 -4.452 3.970 15.416 1.00 0.72 C ATOM 1403 CG GLU A 90 -4.709 5.200 16.272 1.00 0.91 C ATOM 1404 CD GLU A 90 -5.824 6.070 15.725 1.00 1.03 C ATOM 1405 OE1 GLU A 90 -5.531 6.966 14.905 1.00 1.61 O ATOM 1406 OE2 GLU A 90 -6.991 5.855 16.115 1.00 1.04 O ATOM 0 H GLU A 90 -1.894 4.406 15.224 1.00 0.52 H new ATOM 0 HA GLU A 90 -3.596 2.748 16.963 1.00 0.55 H new ATOM 0 HB2 GLU A 90 -4.194 4.288 14.406 1.00 0.72 H new ATOM 0 HB3 GLU A 90 -5.372 3.390 15.343 1.00 0.72 H new ATOM 0 HG2 GLU A 90 -4.962 4.887 17.285 1.00 0.91 H new ATOM 0 HG3 GLU A 90 -3.794 5.789 16.339 1.00 0.91 H new ATOM 1413 N HIS A 91 -1.980 1.588 14.598 1.00 0.33 N ATOM 1414 CA HIS A 91 -1.702 0.438 13.743 1.00 0.29 C ATOM 1415 C HIS A 91 -2.618 0.429 12.522 1.00 0.29 C ATOM 1416 O HIS A 91 -3.129 -0.619 12.127 1.00 0.34 O ATOM 1417 CB HIS A 91 -1.866 -0.866 14.530 1.00 0.38 C ATOM 1418 CG HIS A 91 -0.973 -0.956 15.726 1.00 0.49 C ATOM 1419 ND1 HIS A 91 0.254 -1.586 15.706 1.00 1.11 N ATOM 1420 CD2 HIS A 91 -1.134 -0.491 16.988 1.00 1.24 C ATOM 1421 CE1 HIS A 91 0.807 -1.503 16.902 1.00 0.91 C ATOM 1422 NE2 HIS A 91 -0.014 -0.842 17.698 1.00 0.95 N ATOM 0 H HIS A 91 -1.167 2.174 14.791 1.00 0.33 H new ATOM 0 HA HIS A 91 -0.671 0.518 13.399 1.00 0.29 H new ATOM 0 HB2 HIS A 91 -2.903 -0.959 14.853 1.00 0.38 H new ATOM 0 HB3 HIS A 91 -1.661 -1.708 13.869 1.00 0.38 H new ATOM 0 HD2 HIS A 91 -1.986 0.055 17.365 1.00 1.24 H new ATOM 0 HE1 HIS A 91 1.768 -1.907 17.182 1.00 0.91 H new ATOM 0 HE2 HIS A 91 0.157 -0.628 18.680 1.00 0.95 H new ATOM 1431 N SER A 92 -2.820 1.602 11.930 1.00 0.34 N ATOM 1432 CA SER A 92 -3.677 1.729 10.756 1.00 0.44 C ATOM 1433 C SER A 92 -3.106 2.742 9.769 1.00 0.35 C ATOM 1434 O SER A 92 -2.339 3.628 10.147 1.00 0.30 O ATOM 1435 CB SER A 92 -5.087 2.148 11.177 1.00 0.61 C ATOM 1436 OG SER A 92 -5.665 1.192 12.048 1.00 1.33 O ATOM 0 H SER A 92 -2.402 2.478 12.244 1.00 0.34 H new ATOM 0 HA SER A 92 -3.723 0.758 10.262 1.00 0.44 H new ATOM 0 HB2 SER A 92 -5.049 3.119 11.671 1.00 0.61 H new ATOM 0 HB3 SER A 92 -5.714 2.265 10.293 1.00 0.61 H new ATOM 0 HG SER A 92 -5.171 1.180 12.895 1.00 1.33 H new ATOM 1442 N VAL A 93 -3.487 2.605 8.501 1.00 0.38 N ATOM 1443 CA VAL A 93 -3.014 3.506 7.454 1.00 0.33 C ATOM 1444 C VAL A 93 -4.013 4.634 7.205 1.00 0.29 C ATOM 1445 O VAL A 93 -5.197 4.387 6.973 1.00 0.31 O ATOM 1446 CB VAL A 93 -2.766 2.750 6.135 1.00 0.40 C ATOM 1447 CG1 VAL A 93 -2.232 3.691 5.064 1.00 0.84 C ATOM 1448 CG2 VAL A 93 -1.809 1.591 6.359 1.00 1.20 C ATOM 0 H VAL A 93 -4.123 1.878 8.174 1.00 0.38 H new ATOM 0 HA VAL A 93 -2.073 3.931 7.802 1.00 0.33 H new ATOM 0 HB VAL A 93 -3.717 2.348 5.787 1.00 0.40 H new ATOM 0 HG11 VAL A 93 -2.064 3.135 4.142 1.00 0.84 H new ATOM 0 HG12 VAL A 93 -2.957 4.485 4.883 1.00 0.84 H new ATOM 0 HG13 VAL A 93 -1.292 4.128 5.400 1.00 0.84 H new ATOM 0 HG21 VAL A 93 -1.645 1.068 5.417 1.00 1.20 H new ATOM 0 HG22 VAL A 93 -0.859 1.971 6.734 1.00 1.20 H new ATOM 0 HG23 VAL A 93 -2.236 0.902 7.087 1.00 1.20 H new ATOM 1458 N GLU A 94 -3.525 5.872 7.251 1.00 0.30 N ATOM 1459 CA GLU A 94 -4.373 7.040 7.035 1.00 0.31 C ATOM 1460 C GLU A 94 -3.829 7.911 5.906 1.00 0.27 C ATOM 1461 O GLU A 94 -2.627 7.921 5.642 1.00 0.29 O ATOM 1462 CB GLU A 94 -4.473 7.865 8.320 1.00 0.39 C ATOM 1463 CG GLU A 94 -5.027 7.090 9.504 1.00 0.67 C ATOM 1464 CD GLU A 94 -6.467 6.663 9.302 1.00 1.47 C ATOM 1465 OE1 GLU A 94 -7.369 7.500 9.516 1.00 1.54 O ATOM 1466 OE2 GLU A 94 -6.693 5.492 8.930 1.00 2.41 O ATOM 0 H GLU A 94 -2.546 6.091 7.436 1.00 0.30 H new ATOM 0 HA GLU A 94 -5.365 6.688 6.753 1.00 0.31 H new ATOM 0 HB2 GLU A 94 -3.483 8.243 8.576 1.00 0.39 H new ATOM 0 HB3 GLU A 94 -5.108 8.732 8.136 1.00 0.39 H new ATOM 0 HG2 GLU A 94 -4.411 6.207 9.675 1.00 0.67 H new ATOM 0 HG3 GLU A 94 -4.957 7.706 10.401 1.00 0.67 H new ATOM 1473 N LEU A 95 -4.722 8.642 5.243 1.00 0.31 N ATOM 1474 CA LEU A 95 -4.330 9.520 4.143 1.00 0.32 C ATOM 1475 C LEU A 95 -3.908 10.888 4.666 1.00 0.29 C ATOM 1476 O LEU A 95 -4.649 11.536 5.406 1.00 0.37 O ATOM 1477 CB LEU A 95 -5.481 9.684 3.145 1.00 0.44 C ATOM 1478 CG LEU A 95 -5.876 8.416 2.381 1.00 0.50 C ATOM 1479 CD1 LEU A 95 -6.649 7.464 3.280 1.00 1.11 C ATOM 1480 CD2 LEU A 95 -6.696 8.772 1.150 1.00 0.62 C ATOM 0 H LEU A 95 -5.721 8.644 5.448 1.00 0.31 H new ATOM 0 HA LEU A 95 -3.482 9.059 3.635 1.00 0.32 H new ATOM 0 HB2 LEU A 95 -6.355 10.051 3.682 1.00 0.44 H new ATOM 0 HB3 LEU A 95 -5.206 10.452 2.422 1.00 0.44 H new ATOM 0 HG LEU A 95 -4.965 7.913 2.057 1.00 0.50 H new ATOM 0 HD11 LEU A 95 -6.919 6.571 2.717 1.00 1.11 H new ATOM 0 HD12 LEU A 95 -6.029 7.183 4.131 1.00 1.11 H new ATOM 0 HD13 LEU A 95 -7.554 7.955 3.637 1.00 1.11 H new ATOM 0 HD21 LEU A 95 -6.969 7.860 0.618 1.00 0.62 H new ATOM 0 HD22 LEU A 95 -7.600 9.298 1.455 1.00 0.62 H new ATOM 0 HD23 LEU A 95 -6.107 9.413 0.493 1.00 0.62 H new ATOM 1492 N HIS A 96 -2.712 11.324 4.278 1.00 0.25 N ATOM 1493 CA HIS A 96 -2.196 12.619 4.710 1.00 0.30 C ATOM 1494 C HIS A 96 -1.452 13.320 3.576 1.00 0.25 C ATOM 1495 O HIS A 96 -0.798 12.676 2.757 1.00 0.22 O ATOM 1496 CB HIS A 96 -1.268 12.448 5.915 1.00 0.39 C ATOM 1497 CG HIS A 96 -1.948 11.865 7.114 1.00 0.73 C ATOM 1498 ND1 HIS A 96 -2.672 12.623 8.011 1.00 1.24 N ATOM 1499 CD2 HIS A 96 -2.010 10.590 7.566 1.00 1.11 C ATOM 1500 CE1 HIS A 96 -3.152 11.840 8.959 1.00 1.64 C ATOM 1501 NE2 HIS A 96 -2.765 10.601 8.713 1.00 1.57 N ATOM 0 H HIS A 96 -2.084 10.801 3.667 1.00 0.25 H new ATOM 0 HA HIS A 96 -3.045 13.238 4.999 1.00 0.30 H new ATOM 0 HB2 HIS A 96 -0.433 11.806 5.633 1.00 0.39 H new ATOM 0 HB3 HIS A 96 -0.848 13.418 6.181 1.00 0.39 H new ATOM 0 HD1 HIS A 96 -2.814 13.631 7.951 1.00 1.24 H new ATOM 0 HD2 HIS A 96 -1.551 9.725 7.109 1.00 1.11 H new ATOM 0 HE1 HIS A 96 -3.758 12.158 9.794 1.00 1.64 H new ATOM 1510 N LYS A 97 -1.563 14.645 3.539 1.00 0.32 N ATOM 1511 CA LYS A 97 -0.903 15.443 2.512 1.00 0.32 C ATOM 1512 C LYS A 97 0.336 16.131 3.077 1.00 0.34 C ATOM 1513 O LYS A 97 0.234 17.011 3.931 1.00 0.50 O ATOM 1514 CB LYS A 97 -1.872 16.487 1.946 1.00 0.39 C ATOM 1515 CG LYS A 97 -1.212 17.496 1.019 1.00 0.42 C ATOM 1516 CD LYS A 97 -2.227 18.466 0.434 1.00 0.53 C ATOM 1517 CE LYS A 97 -1.544 19.595 -0.322 1.00 1.29 C ATOM 1518 NZ LYS A 97 -0.619 19.084 -1.368 1.00 2.10 N ATOM 0 H LYS A 97 -2.105 15.189 4.210 1.00 0.32 H new ATOM 0 HA LYS A 97 -0.592 14.776 1.708 1.00 0.32 H new ATOM 0 HB2 LYS A 97 -2.667 15.975 1.404 1.00 0.39 H new ATOM 0 HB3 LYS A 97 -2.342 17.020 2.773 1.00 0.39 H new ATOM 0 HG2 LYS A 97 -0.451 18.051 1.567 1.00 0.42 H new ATOM 0 HG3 LYS A 97 -0.703 16.970 0.211 1.00 0.42 H new ATOM 0 HD2 LYS A 97 -2.899 17.931 -0.237 1.00 0.53 H new ATOM 0 HD3 LYS A 97 -2.840 18.881 1.235 1.00 0.53 H new ATOM 0 HE2 LYS A 97 -2.299 20.231 -0.785 1.00 1.29 H new ATOM 0 HE3 LYS A 97 -0.989 20.218 0.380 1.00 1.29 H new ATOM 0 HZ1 LYS A 97 0.305 19.551 -1.272 1.00 2.10 H new ATOM 0 HZ2 LYS A 97 -0.501 18.057 -1.256 1.00 2.10 H new ATOM 0 HZ3 LYS A 97 -1.013 19.286 -2.309 1.00 2.10 H new ATOM 1532 N CYS A 98 1.505 15.724 2.592 1.00 0.37 N ATOM 1533 CA CYS A 98 2.763 16.302 3.051 1.00 0.43 C ATOM 1534 C CYS A 98 3.520 16.943 1.893 1.00 0.40 C ATOM 1535 O CYS A 98 3.089 16.874 0.743 1.00 0.37 O ATOM 1536 CB CYS A 98 3.629 15.231 3.714 1.00 0.49 C ATOM 1537 SG CYS A 98 2.876 14.467 5.169 1.00 1.10 S ATOM 0 H CYS A 98 1.607 14.998 1.883 1.00 0.37 H new ATOM 0 HA CYS A 98 2.534 17.076 3.784 1.00 0.43 H new ATOM 0 HB2 CYS A 98 3.850 14.454 2.982 1.00 0.49 H new ATOM 0 HB3 CYS A 98 4.581 15.677 4.003 1.00 0.49 H new ATOM 0 HG CYS A 98 3.684 13.573 5.657 1.00 1.10 H new ATOM 1543 N GLU A 99 4.653 17.565 2.206 1.00 0.46 N ATOM 1544 CA GLU A 99 5.473 18.217 1.194 1.00 0.47 C ATOM 1545 C GLU A 99 6.067 17.194 0.232 1.00 0.42 C ATOM 1546 O GLU A 99 5.888 15.988 0.406 1.00 0.38 O ATOM 1547 CB GLU A 99 6.589 19.025 1.855 1.00 0.53 C ATOM 1548 CG GLU A 99 6.085 20.080 2.826 1.00 1.09 C ATOM 1549 CD GLU A 99 5.149 21.076 2.167 1.00 1.85 C ATOM 1550 OE1 GLU A 99 5.641 22.100 1.651 1.00 2.07 O ATOM 1551 OE2 GLU A 99 3.924 20.830 2.170 1.00 2.55 O ATOM 0 H GLU A 99 5.023 17.630 3.154 1.00 0.46 H new ATOM 0 HA GLU A 99 4.835 18.893 0.625 1.00 0.47 H new ATOM 0 HB2 GLU A 99 7.254 18.343 2.385 1.00 0.53 H new ATOM 0 HB3 GLU A 99 7.182 19.511 1.080 1.00 0.53 H new ATOM 0 HG2 GLU A 99 5.568 19.592 3.652 1.00 1.09 H new ATOM 0 HG3 GLU A 99 6.935 20.612 3.253 1.00 1.09 H new ATOM 1558 N LYS A 100 6.767 17.684 -0.790 1.00 0.45 N ATOM 1559 CA LYS A 100 7.388 16.813 -1.785 1.00 0.46 C ATOM 1560 C LYS A 100 8.215 15.701 -1.129 1.00 0.45 C ATOM 1561 O LYS A 100 8.038 14.529 -1.461 1.00 0.45 O ATOM 1562 CB LYS A 100 8.257 17.634 -2.747 1.00 0.52 C ATOM 1563 CG LYS A 100 9.120 16.790 -3.677 1.00 0.56 C ATOM 1564 CD LYS A 100 8.295 15.783 -4.466 1.00 0.60 C ATOM 1565 CE LYS A 100 7.269 16.468 -5.357 1.00 0.96 C ATOM 1566 NZ LYS A 100 7.888 17.518 -6.210 1.00 1.77 N ATOM 0 H LYS A 100 6.918 18.680 -0.950 1.00 0.45 H new ATOM 0 HA LYS A 100 6.588 16.336 -2.351 1.00 0.46 H new ATOM 0 HB2 LYS A 100 7.611 18.273 -3.348 1.00 0.52 H new ATOM 0 HB3 LYS A 100 8.903 18.291 -2.165 1.00 0.52 H new ATOM 0 HG2 LYS A 100 9.653 17.443 -4.368 1.00 0.56 H new ATOM 0 HG3 LYS A 100 9.873 16.262 -3.092 1.00 0.56 H new ATOM 0 HD2 LYS A 100 8.957 15.171 -5.078 1.00 0.60 H new ATOM 0 HD3 LYS A 100 7.786 15.110 -3.776 1.00 0.60 H new ATOM 0 HE2 LYS A 100 6.784 15.725 -5.990 1.00 0.96 H new ATOM 0 HE3 LYS A 100 6.491 16.915 -4.738 1.00 0.96 H new ATOM 0 HZ1 LYS A 100 7.216 17.806 -6.949 1.00 1.77 H new ATOM 0 HZ2 LYS A 100 8.132 18.342 -5.624 1.00 1.77 H new ATOM 0 HZ3 LYS A 100 8.750 17.141 -6.654 1.00 1.77 H new ATOM 1580 N PRO A 101 9.127 16.039 -0.189 1.00 0.46 N ATOM 1581 CA PRO A 101 9.957 15.035 0.491 1.00 0.48 C ATOM 1582 C PRO A 101 9.119 13.943 1.151 1.00 0.42 C ATOM 1583 O PRO A 101 8.697 14.081 2.299 1.00 0.45 O ATOM 1584 CB PRO A 101 10.713 15.843 1.552 1.00 0.55 C ATOM 1585 CG PRO A 101 10.721 17.237 1.031 1.00 0.64 C ATOM 1586 CD PRO A 101 9.428 17.405 0.286 1.00 0.48 C ATOM 0 HA PRO A 101 10.612 14.513 -0.207 1.00 0.48 H new ATOM 0 HB2 PRO A 101 10.217 15.785 2.521 1.00 0.55 H new ATOM 0 HB3 PRO A 101 11.726 15.466 1.689 1.00 0.55 H new ATOM 0 HG2 PRO A 101 10.799 17.958 1.845 1.00 0.64 H new ATOM 0 HG3 PRO A 101 11.575 17.404 0.374 1.00 0.64 H new ATOM 0 HD2 PRO A 101 8.639 17.789 0.932 1.00 0.48 H new ATOM 0 HD3 PRO A 101 9.530 18.105 -0.543 1.00 0.48 H new ATOM 1594 N LEU A 102 8.883 12.861 0.417 1.00 0.40 N ATOM 1595 CA LEU A 102 8.094 11.748 0.932 1.00 0.36 C ATOM 1596 C LEU A 102 8.809 11.069 2.101 1.00 0.37 C ATOM 1597 O LEU A 102 10.012 10.814 2.032 1.00 0.45 O ATOM 1598 CB LEU A 102 7.828 10.728 -0.180 1.00 0.38 C ATOM 1599 CG LEU A 102 7.201 11.301 -1.454 1.00 0.41 C ATOM 1600 CD1 LEU A 102 6.982 10.201 -2.482 1.00 0.50 C ATOM 1601 CD2 LEU A 102 5.886 12.002 -1.139 1.00 0.45 C ATOM 0 H LEU A 102 9.226 12.731 -0.535 1.00 0.40 H new ATOM 0 HA LEU A 102 7.143 12.143 1.290 1.00 0.36 H new ATOM 0 HB2 LEU A 102 8.770 10.247 -0.443 1.00 0.38 H new ATOM 0 HB3 LEU A 102 7.171 9.951 0.211 1.00 0.38 H new ATOM 0 HG LEU A 102 7.890 12.035 -1.872 1.00 0.41 H new ATOM 0 HD11 LEU A 102 6.536 10.627 -3.381 1.00 0.50 H new ATOM 0 HD12 LEU A 102 7.938 9.743 -2.734 1.00 0.50 H new ATOM 0 HD13 LEU A 102 6.315 9.445 -2.069 1.00 0.50 H new ATOM 0 HD21 LEU A 102 5.458 12.402 -2.058 1.00 0.45 H new ATOM 0 HD22 LEU A 102 5.191 11.289 -0.695 1.00 0.45 H new ATOM 0 HD23 LEU A 102 6.067 12.817 -0.439 1.00 0.45 H new ATOM 1613 N PRO A 103 8.080 10.765 3.193 1.00 0.37 N ATOM 1614 CA PRO A 103 8.660 10.118 4.370 1.00 0.40 C ATOM 1615 C PRO A 103 8.819 8.612 4.189 1.00 0.35 C ATOM 1616 O PRO A 103 8.284 8.030 3.246 1.00 0.30 O ATOM 1617 CB PRO A 103 7.640 10.421 5.463 1.00 0.47 C ATOM 1618 CG PRO A 103 6.336 10.492 4.747 1.00 0.46 C ATOM 1619 CD PRO A 103 6.636 11.028 3.370 1.00 0.42 C ATOM 0 HA PRO A 103 9.665 10.480 4.586 1.00 0.40 H new ATOM 0 HB2 PRO A 103 7.632 9.642 6.226 1.00 0.47 H new ATOM 0 HB3 PRO A 103 7.867 11.360 5.968 1.00 0.47 H new ATOM 0 HG2 PRO A 103 5.871 9.508 4.688 1.00 0.46 H new ATOM 0 HG3 PRO A 103 5.638 11.143 5.274 1.00 0.46 H new ATOM 0 HD2 PRO A 103 6.042 10.525 2.607 1.00 0.42 H new ATOM 0 HD3 PRO A 103 6.412 12.092 3.298 1.00 0.42 H new ATOM 1627 N ASP A 104 9.555 7.989 5.106 1.00 0.40 N ATOM 1628 CA ASP A 104 9.790 6.550 5.050 1.00 0.41 C ATOM 1629 C ASP A 104 8.482 5.776 5.179 1.00 0.41 C ATOM 1630 O ASP A 104 8.392 4.621 4.763 1.00 0.54 O ATOM 1631 CB ASP A 104 10.757 6.131 6.160 1.00 0.52 C ATOM 1632 CG ASP A 104 11.247 4.707 5.991 1.00 1.05 C ATOM 1633 OD1 ASP A 104 10.532 3.778 6.422 1.00 1.45 O ATOM 1634 OD2 ASP A 104 12.343 4.519 5.426 1.00 1.57 O ATOM 0 H ASP A 104 9.998 8.458 5.896 1.00 0.40 H new ATOM 0 HA ASP A 104 10.232 6.316 4.081 1.00 0.41 H new ATOM 0 HB2 ASP A 104 11.611 6.808 6.169 1.00 0.52 H new ATOM 0 HB3 ASP A 104 10.262 6.230 7.126 1.00 0.52 H new ATOM 1639 N GLN A 105 7.471 6.420 5.755 1.00 0.36 N ATOM 1640 CA GLN A 105 6.167 5.789 5.939 1.00 0.39 C ATOM 1641 C GLN A 105 5.302 5.941 4.689 1.00 0.34 C ATOM 1642 O GLN A 105 4.113 5.623 4.707 1.00 0.42 O ATOM 1643 CB GLN A 105 5.445 6.394 7.145 1.00 0.48 C ATOM 1644 CG GLN A 105 6.108 6.080 8.476 1.00 0.67 C ATOM 1645 CD GLN A 105 5.301 6.577 9.659 1.00 0.83 C ATOM 1646 OE1 GLN A 105 4.602 7.586 9.570 1.00 1.41 O ATOM 1647 NE2 GLN A 105 5.390 5.865 10.778 1.00 1.65 N ATOM 0 H GLN A 105 7.529 7.377 6.102 1.00 0.36 H new ATOM 0 HA GLN A 105 6.333 4.727 6.118 1.00 0.39 H new ATOM 0 HB2 GLN A 105 5.394 7.476 7.021 1.00 0.48 H new ATOM 0 HB3 GLN A 105 4.419 6.026 7.165 1.00 0.48 H new ATOM 0 HG2 GLN A 105 6.248 5.003 8.563 1.00 0.67 H new ATOM 0 HG3 GLN A 105 7.099 6.533 8.500 1.00 0.67 H new ATOM 0 HE21 GLN A 105 5.982 5.035 10.808 1.00 1.65 H new ATOM 0 HE22 GLN A 105 4.867 6.149 11.606 1.00 1.65 H new ATOM 1656 N ALA A 106 5.904 6.427 3.609 1.00 0.31 N ATOM 1657 CA ALA A 106 5.183 6.619 2.356 1.00 0.30 C ATOM 1658 C ALA A 106 5.542 5.538 1.343 1.00 0.31 C ATOM 1659 O ALA A 106 4.856 5.366 0.334 1.00 0.62 O ATOM 1660 CB ALA A 106 5.473 7.997 1.785 1.00 0.31 C ATOM 0 H ALA A 106 6.888 6.695 3.576 1.00 0.31 H new ATOM 0 HA ALA A 106 4.116 6.542 2.566 1.00 0.30 H new ATOM 0 HB1 ALA A 106 4.928 8.125 0.850 1.00 0.31 H new ATOM 0 HB2 ALA A 106 5.157 8.760 2.497 1.00 0.31 H new ATOM 0 HB3 ALA A 106 6.542 8.096 1.598 1.00 0.31 H new ATOM 1666 N PHE A 107 6.624 4.812 1.614 1.00 0.21 N ATOM 1667 CA PHE A 107 7.073 3.750 0.722 1.00 0.19 C ATOM 1668 C PHE A 107 6.823 2.378 1.336 1.00 0.18 C ATOM 1669 O PHE A 107 7.170 2.131 2.493 1.00 0.24 O ATOM 1670 CB PHE A 107 8.561 3.913 0.405 1.00 0.23 C ATOM 1671 CG PHE A 107 8.884 5.182 -0.331 1.00 0.19 C ATOM 1672 CD1 PHE A 107 9.062 6.372 0.356 1.00 0.26 C ATOM 1673 CD2 PHE A 107 9.012 5.184 -1.712 1.00 0.22 C ATOM 1674 CE1 PHE A 107 9.361 7.541 -0.318 1.00 0.27 C ATOM 1675 CE2 PHE A 107 9.310 6.350 -2.392 1.00 0.22 C ATOM 1676 CZ PHE A 107 9.486 7.529 -1.694 1.00 0.21 C ATOM 0 H PHE A 107 7.204 4.941 2.443 1.00 0.21 H new ATOM 0 HA PHE A 107 6.500 3.825 -0.202 1.00 0.19 H new ATOM 0 HB2 PHE A 107 9.127 3.889 1.336 1.00 0.23 H new ATOM 0 HB3 PHE A 107 8.892 3.063 -0.191 1.00 0.23 H new ATOM 0 HD1 PHE A 107 8.966 6.386 1.432 1.00 0.26 H new ATOM 0 HD2 PHE A 107 8.877 4.264 -2.262 1.00 0.22 H new ATOM 0 HE1 PHE A 107 9.497 8.462 0.230 1.00 0.27 H new ATOM 0 HE2 PHE A 107 9.405 6.339 -3.468 1.00 0.22 H new ATOM 0 HZ PHE A 107 9.721 8.441 -2.223 1.00 0.21 H new ATOM 1686 N PHE A 108 6.218 1.492 0.556 1.00 0.16 N ATOM 1687 CA PHE A 108 5.922 0.140 1.016 1.00 0.17 C ATOM 1688 C PHE A 108 6.601 -0.893 0.124 1.00 0.18 C ATOM 1689 O PHE A 108 6.597 -0.767 -1.098 1.00 0.27 O ATOM 1690 CB PHE A 108 4.409 -0.096 1.030 1.00 0.17 C ATOM 1691 CG PHE A 108 3.657 0.879 1.891 1.00 0.20 C ATOM 1692 CD1 PHE A 108 3.636 0.731 3.269 1.00 0.26 C ATOM 1693 CD2 PHE A 108 2.970 1.940 1.323 1.00 0.27 C ATOM 1694 CE1 PHE A 108 2.943 1.625 4.065 1.00 0.30 C ATOM 1695 CE2 PHE A 108 2.276 2.836 2.113 1.00 0.32 C ATOM 1696 CZ PHE A 108 2.263 2.679 3.485 1.00 0.32 C ATOM 0 H PHE A 108 5.922 1.685 -0.401 1.00 0.16 H new ATOM 0 HA PHE A 108 6.308 0.032 2.030 1.00 0.17 H new ATOM 0 HB2 PHE A 108 4.030 -0.034 0.010 1.00 0.17 H new ATOM 0 HB3 PHE A 108 4.211 -1.108 1.383 1.00 0.17 H new ATOM 0 HD1 PHE A 108 4.166 -0.091 3.726 1.00 0.26 H new ATOM 0 HD2 PHE A 108 2.977 2.068 0.251 1.00 0.27 H new ATOM 0 HE1 PHE A 108 2.933 1.500 5.138 1.00 0.30 H new ATOM 0 HE2 PHE A 108 1.744 3.658 1.658 1.00 0.32 H new ATOM 0 HZ PHE A 108 1.722 3.379 4.104 1.00 0.32 H new ATOM 1706 N VAL A 109 7.189 -1.911 0.737 1.00 0.17 N ATOM 1707 CA VAL A 109 7.871 -2.957 -0.015 1.00 0.18 C ATOM 1708 C VAL A 109 6.886 -4.028 -0.476 1.00 0.20 C ATOM 1709 O VAL A 109 6.224 -4.667 0.339 1.00 0.22 O ATOM 1710 CB VAL A 109 8.989 -3.608 0.819 1.00 0.21 C ATOM 1711 CG1 VAL A 109 9.710 -4.676 0.018 1.00 0.23 C ATOM 1712 CG2 VAL A 109 9.973 -2.553 1.295 1.00 0.21 C ATOM 0 H VAL A 109 7.208 -2.035 1.749 1.00 0.17 H new ATOM 0 HA VAL A 109 8.319 -2.486 -0.890 1.00 0.18 H new ATOM 0 HB VAL A 109 8.533 -4.083 1.688 1.00 0.21 H new ATOM 0 HG11 VAL A 109 10.495 -5.121 0.629 1.00 0.23 H new ATOM 0 HG12 VAL A 109 9.001 -5.448 -0.280 1.00 0.23 H new ATOM 0 HG13 VAL A 109 10.153 -4.227 -0.871 1.00 0.23 H new ATOM 0 HG21 VAL A 109 10.758 -3.027 1.884 1.00 0.21 H new ATOM 0 HG22 VAL A 109 10.416 -2.054 0.433 1.00 0.21 H new ATOM 0 HG23 VAL A 109 9.451 -1.820 1.910 1.00 0.21 H new ATOM 1722 N LEU A 110 6.796 -4.217 -1.789 1.00 0.24 N ATOM 1723 CA LEU A 110 5.886 -5.202 -2.365 1.00 0.27 C ATOM 1724 C LEU A 110 6.381 -6.624 -2.122 1.00 0.25 C ATOM 1725 O LEU A 110 7.569 -6.914 -2.267 1.00 0.30 O ATOM 1726 CB LEU A 110 5.727 -4.955 -3.867 1.00 0.35 C ATOM 1727 CG LEU A 110 4.728 -5.871 -4.576 1.00 0.48 C ATOM 1728 CD1 LEU A 110 3.307 -5.566 -4.124 1.00 0.89 C ATOM 1729 CD2 LEU A 110 4.851 -5.726 -6.085 1.00 1.01 C ATOM 0 H LEU A 110 7.344 -3.699 -2.476 1.00 0.24 H new ATOM 0 HA LEU A 110 4.919 -5.092 -1.875 1.00 0.27 H new ATOM 0 HB2 LEU A 110 5.418 -3.921 -4.018 1.00 0.35 H new ATOM 0 HB3 LEU A 110 6.701 -5.069 -4.343 1.00 0.35 H new ATOM 0 HG LEU A 110 4.958 -6.902 -4.309 1.00 0.48 H new ATOM 0 HD11 LEU A 110 2.611 -6.228 -4.640 1.00 0.89 H new ATOM 0 HD12 LEU A 110 3.226 -5.721 -3.048 1.00 0.89 H new ATOM 0 HD13 LEU A 110 3.065 -4.530 -4.360 1.00 0.89 H new ATOM 0 HD21 LEU A 110 4.133 -6.385 -6.574 1.00 1.01 H new ATOM 0 HD22 LEU A 110 4.648 -4.693 -6.369 1.00 1.01 H new ATOM 0 HD23 LEU A 110 5.860 -5.996 -6.395 1.00 1.01 H new ATOM 1741 N HIS A 111 5.457 -7.509 -1.752 1.00 0.24 N ATOM 1742 CA HIS A 111 5.788 -8.907 -1.495 1.00 0.26 C ATOM 1743 C HIS A 111 4.746 -9.831 -2.118 1.00 0.25 C ATOM 1744 O HIS A 111 3.545 -9.664 -1.901 1.00 0.26 O ATOM 1745 CB HIS A 111 5.886 -9.169 0.009 1.00 0.27 C ATOM 1746 CG HIS A 111 7.104 -8.572 0.645 1.00 0.32 C ATOM 1747 ND1 HIS A 111 8.316 -9.227 0.711 1.00 0.55 N ATOM 1748 CD2 HIS A 111 7.291 -7.374 1.247 1.00 0.26 C ATOM 1749 CE1 HIS A 111 9.197 -8.458 1.329 1.00 0.55 C ATOM 1750 NE2 HIS A 111 8.600 -7.329 1.662 1.00 0.36 N ATOM 0 H HIS A 111 4.471 -7.281 -1.624 1.00 0.24 H new ATOM 0 HA HIS A 111 6.756 -9.114 -1.951 1.00 0.26 H new ATOM 0 HB2 HIS A 111 4.998 -8.768 0.498 1.00 0.27 H new ATOM 0 HB3 HIS A 111 5.887 -10.245 0.182 1.00 0.27 H new ATOM 0 HD2 HIS A 111 6.550 -6.599 1.377 1.00 0.26 H new ATOM 0 HE1 HIS A 111 10.228 -8.711 1.527 1.00 0.55 H new ATOM 0 HE2 HIS A 111 9.040 -6.548 2.149 1.00 0.36 H new ATOM 1759 N ASN A 112 5.214 -10.806 -2.892 1.00 0.29 N ATOM 1760 CA ASN A 112 4.322 -11.755 -3.551 1.00 0.30 C ATOM 1761 C ASN A 112 3.811 -12.802 -2.567 1.00 0.29 C ATOM 1762 O ASN A 112 4.588 -13.576 -2.007 1.00 0.44 O ATOM 1763 CB ASN A 112 5.042 -12.440 -4.713 1.00 0.46 C ATOM 1764 CG ASN A 112 5.441 -11.461 -5.801 1.00 1.42 C ATOM 1765 OD1 ASN A 112 5.703 -10.288 -5.532 1.00 2.14 O ATOM 1766 ND2 ASN A 112 5.488 -11.937 -7.038 1.00 2.13 N ATOM 0 H ASN A 112 6.205 -10.960 -3.078 1.00 0.29 H new ATOM 0 HA ASN A 112 3.467 -11.200 -3.937 1.00 0.30 H new ATOM 0 HB2 ASN A 112 5.932 -12.946 -4.338 1.00 0.46 H new ATOM 0 HB3 ASN A 112 4.394 -13.207 -5.137 1.00 0.46 H new ATOM 0 HD21 ASN A 112 5.749 -11.324 -7.811 1.00 2.13 H new ATOM 0 HD22 ASN A 112 5.263 -12.916 -7.217 1.00 2.13 H new ATOM 1773 N MET A 113 2.497 -12.818 -2.365 1.00 0.28 N ATOM 1774 CA MET A 113 1.873 -13.768 -1.453 1.00 0.36 C ATOM 1775 C MET A 113 1.153 -14.868 -2.224 1.00 0.40 C ATOM 1776 O MET A 113 1.615 -16.008 -2.278 1.00 0.46 O ATOM 1777 CB MET A 113 0.886 -13.045 -0.535 1.00 0.43 C ATOM 1778 CG MET A 113 1.548 -12.059 0.411 1.00 0.47 C ATOM 1779 SD MET A 113 2.649 -12.863 1.592 1.00 0.89 S ATOM 1780 CE MET A 113 1.497 -13.918 2.466 1.00 0.58 C ATOM 0 H MET A 113 1.843 -12.182 -2.822 1.00 0.28 H new ATOM 0 HA MET A 113 2.656 -14.226 -0.849 1.00 0.36 H new ATOM 0 HB2 MET A 113 0.155 -12.515 -1.146 1.00 0.43 H new ATOM 0 HB3 MET A 113 0.337 -13.784 0.049 1.00 0.43 H new ATOM 0 HG2 MET A 113 2.113 -11.329 -0.168 1.00 0.47 H new ATOM 0 HG3 MET A 113 0.779 -11.509 0.953 1.00 0.47 H new ATOM 0 HE1 MET A 113 1.915 -14.189 3.435 1.00 0.58 H new ATOM 0 HE2 MET A 113 0.556 -13.387 2.612 1.00 0.58 H new ATOM 0 HE3 MET A 113 1.317 -14.821 1.883 1.00 0.58 H new ATOM 1790 N HIS A 114 0.016 -14.517 -2.818 1.00 0.45 N ATOM 1791 CA HIS A 114 -0.770 -15.472 -3.588 1.00 0.51 C ATOM 1792 C HIS A 114 -0.340 -15.461 -5.052 1.00 0.47 C ATOM 1793 O HIS A 114 0.547 -14.700 -5.440 1.00 0.46 O ATOM 1794 CB HIS A 114 -2.261 -15.148 -3.468 1.00 0.54 C ATOM 1795 CG HIS A 114 -3.157 -16.317 -3.732 1.00 0.67 C ATOM 1796 ND1 HIS A 114 -3.306 -17.365 -2.849 1.00 0.94 N ATOM 1797 CD2 HIS A 114 -3.962 -16.598 -4.785 1.00 1.39 C ATOM 1798 CE1 HIS A 114 -4.159 -18.241 -3.347 1.00 1.40 C ATOM 1799 NE2 HIS A 114 -4.574 -17.798 -4.522 1.00 1.75 N ATOM 0 H HIS A 114 -0.380 -13.578 -2.780 1.00 0.45 H new ATOM 0 HA HIS A 114 -0.596 -16.470 -3.186 1.00 0.51 H new ATOM 0 HB2 HIS A 114 -2.461 -14.768 -2.466 1.00 0.54 H new ATOM 0 HB3 HIS A 114 -2.507 -14.349 -4.167 1.00 0.54 H new ATOM 0 HD2 HIS A 114 -4.097 -15.990 -5.668 1.00 1.39 H new ATOM 0 HE1 HIS A 114 -4.466 -19.163 -2.875 1.00 1.40 H new ATOM 0 HE2 HIS A 114 -5.240 -18.271 -5.133 1.00 1.75 H new ATOM 1808 N SER A 115 -0.968 -16.308 -5.861 1.00 0.49 N ATOM 1809 CA SER A 115 -0.645 -16.398 -7.281 1.00 0.54 C ATOM 1810 C SER A 115 -0.744 -15.036 -7.965 1.00 0.50 C ATOM 1811 O SER A 115 0.189 -14.606 -8.644 1.00 0.56 O ATOM 1812 CB SER A 115 -1.579 -17.393 -7.973 1.00 0.59 C ATOM 1813 OG SER A 115 -1.447 -18.689 -7.416 1.00 1.50 O ATOM 0 H SER A 115 -1.705 -16.944 -5.557 1.00 0.49 H new ATOM 0 HA SER A 115 0.385 -16.746 -7.365 1.00 0.54 H new ATOM 0 HB2 SER A 115 -2.611 -17.056 -7.876 1.00 0.59 H new ATOM 0 HB3 SER A 115 -1.354 -17.427 -9.039 1.00 0.59 H new ATOM 0 HG SER A 115 -2.055 -19.306 -7.874 1.00 1.50 H new ATOM 1819 N ASN A 116 -1.876 -14.361 -7.782 1.00 0.45 N ATOM 1820 CA ASN A 116 -2.093 -13.057 -8.400 1.00 0.50 C ATOM 1821 C ASN A 116 -2.130 -11.935 -7.363 1.00 0.44 C ATOM 1822 O ASN A 116 -1.871 -10.775 -7.684 1.00 0.66 O ATOM 1823 CB ASN A 116 -3.396 -13.064 -9.202 1.00 0.61 C ATOM 1824 CG ASN A 116 -3.648 -11.743 -9.902 1.00 1.08 C ATOM 1825 OD1 ASN A 116 -2.712 -11.042 -10.288 1.00 1.93 O ATOM 1826 ND2 ASN A 116 -4.919 -11.394 -10.070 1.00 1.68 N ATOM 0 H ASN A 116 -2.654 -14.694 -7.213 1.00 0.45 H new ATOM 0 HA ASN A 116 -1.253 -12.867 -9.068 1.00 0.50 H new ATOM 0 HB2 ASN A 116 -3.360 -13.864 -9.942 1.00 0.61 H new ATOM 0 HB3 ASN A 116 -4.229 -13.284 -8.535 1.00 0.61 H new ATOM 0 HD21 ASN A 116 -5.150 -10.516 -10.534 1.00 1.68 H new ATOM 0 HD22 ASN A 116 -5.664 -12.005 -9.735 1.00 1.68 H new ATOM 1833 N CYS A 117 -2.454 -12.283 -6.123 1.00 0.32 N ATOM 1834 CA CYS A 117 -2.529 -11.296 -5.050 1.00 0.32 C ATOM 1835 C CYS A 117 -1.137 -10.873 -4.591 1.00 0.28 C ATOM 1836 O CYS A 117 -0.151 -11.568 -4.843 1.00 0.34 O ATOM 1837 CB CYS A 117 -3.319 -11.858 -3.868 1.00 0.43 C ATOM 1838 SG CYS A 117 -4.949 -12.501 -4.311 1.00 0.97 S ATOM 0 H CYS A 117 -2.669 -13.238 -5.835 1.00 0.32 H new ATOM 0 HA CYS A 117 -3.042 -10.416 -5.439 1.00 0.32 H new ATOM 0 HB2 CYS A 117 -2.739 -12.656 -3.403 1.00 0.43 H new ATOM 0 HB3 CYS A 117 -3.440 -11.075 -3.120 1.00 0.43 H new ATOM 0 HG CYS A 117 -5.375 -13.290 -3.370 1.00 0.97 H new ATOM 1844 N VAL A 118 -1.063 -9.727 -3.916 1.00 0.25 N ATOM 1845 CA VAL A 118 0.206 -9.207 -3.419 1.00 0.27 C ATOM 1846 C VAL A 118 0.047 -8.588 -2.032 1.00 0.24 C ATOM 1847 O VAL A 118 -1.067 -8.462 -1.522 1.00 0.28 O ATOM 1848 CB VAL A 118 0.793 -8.150 -4.375 1.00 0.37 C ATOM 1849 CG1 VAL A 118 1.151 -8.777 -5.713 1.00 0.46 C ATOM 1850 CG2 VAL A 118 -0.185 -6.999 -4.562 1.00 0.41 C ATOM 0 H VAL A 118 -1.870 -9.141 -3.701 1.00 0.25 H new ATOM 0 HA VAL A 118 0.890 -10.054 -3.358 1.00 0.27 H new ATOM 0 HB VAL A 118 1.706 -7.754 -3.931 1.00 0.37 H new ATOM 0 HG11 VAL A 118 1.564 -8.014 -6.373 1.00 0.46 H new ATOM 0 HG12 VAL A 118 1.890 -9.563 -5.560 1.00 0.46 H new ATOM 0 HG13 VAL A 118 0.256 -9.204 -6.166 1.00 0.46 H new ATOM 0 HG21 VAL A 118 0.246 -6.262 -5.240 1.00 0.41 H new ATOM 0 HG22 VAL A 118 -1.117 -7.378 -4.982 1.00 0.41 H new ATOM 0 HG23 VAL A 118 -0.386 -6.532 -3.598 1.00 0.41 H new ATOM 1860 N SER A 119 1.169 -8.204 -1.427 1.00 0.24 N ATOM 1861 CA SER A 119 1.157 -7.595 -0.098 1.00 0.23 C ATOM 1862 C SER A 119 2.039 -6.350 -0.057 1.00 0.21 C ATOM 1863 O SER A 119 2.958 -6.203 -0.862 1.00 0.30 O ATOM 1864 CB SER A 119 1.632 -8.603 0.950 1.00 0.29 C ATOM 1865 OG SER A 119 1.621 -8.036 2.247 1.00 1.09 O ATOM 0 H SER A 119 2.098 -8.304 -1.836 1.00 0.24 H new ATOM 0 HA SER A 119 0.133 -7.298 0.127 1.00 0.23 H new ATOM 0 HB2 SER A 119 0.989 -9.483 0.929 1.00 0.29 H new ATOM 0 HB3 SER A 119 2.640 -8.938 0.705 1.00 0.29 H new ATOM 0 HG SER A 119 2.512 -8.117 2.647 1.00 1.09 H new ATOM 1871 N PHE A 120 1.754 -5.460 0.892 1.00 0.20 N ATOM 1872 CA PHE A 120 2.517 -4.224 1.043 1.00 0.18 C ATOM 1873 C PHE A 120 3.123 -4.124 2.443 1.00 0.18 C ATOM 1874 O PHE A 120 2.423 -3.842 3.414 1.00 0.27 O ATOM 1875 CB PHE A 120 1.617 -3.017 0.777 1.00 0.21 C ATOM 1876 CG PHE A 120 0.933 -3.068 -0.559 1.00 0.24 C ATOM 1877 CD1 PHE A 120 1.656 -2.914 -1.729 1.00 0.40 C ATOM 1878 CD2 PHE A 120 -0.435 -3.268 -0.643 1.00 0.28 C ATOM 1879 CE1 PHE A 120 1.029 -2.960 -2.959 1.00 0.45 C ATOM 1880 CE2 PHE A 120 -1.070 -3.313 -1.869 1.00 0.32 C ATOM 1881 CZ PHE A 120 -0.332 -3.165 -3.032 1.00 0.35 C ATOM 0 H PHE A 120 0.999 -5.573 1.568 1.00 0.20 H new ATOM 0 HA PHE A 120 3.330 -4.234 0.317 1.00 0.18 H new ATOM 0 HB2 PHE A 120 0.863 -2.955 1.561 1.00 0.21 H new ATOM 0 HB3 PHE A 120 2.214 -2.107 0.837 1.00 0.21 H new ATOM 0 HD1 PHE A 120 2.723 -2.756 -1.680 1.00 0.40 H new ATOM 0 HD2 PHE A 120 -1.013 -3.390 0.261 1.00 0.28 H new ATOM 0 HE1 PHE A 120 1.605 -2.835 -3.864 1.00 0.45 H new ATOM 0 HE2 PHE A 120 -2.138 -3.463 -1.921 1.00 0.32 H new ATOM 0 HZ PHE A 120 -0.822 -3.210 -3.993 1.00 0.35 H new ATOM 1891 N GLU A 121 4.431 -4.357 2.535 1.00 0.19 N ATOM 1892 CA GLU A 121 5.135 -4.300 3.814 1.00 0.19 C ATOM 1893 C GLU A 121 5.583 -2.876 4.136 1.00 0.19 C ATOM 1894 O GLU A 121 5.846 -2.077 3.236 1.00 0.19 O ATOM 1895 CB GLU A 121 6.349 -5.231 3.794 1.00 0.23 C ATOM 1896 CG GLU A 121 7.126 -5.253 5.100 1.00 0.29 C ATOM 1897 CD GLU A 121 8.296 -6.217 5.068 1.00 0.33 C ATOM 1898 OE1 GLU A 121 9.360 -5.843 4.531 1.00 0.35 O ATOM 1899 OE2 GLU A 121 8.150 -7.346 5.581 1.00 0.45 O ATOM 0 H GLU A 121 5.025 -4.587 1.738 1.00 0.19 H new ATOM 0 HA GLU A 121 4.442 -4.626 4.590 1.00 0.19 H new ATOM 0 HB2 GLU A 121 6.016 -6.243 3.563 1.00 0.23 H new ATOM 0 HB3 GLU A 121 7.017 -4.924 2.989 1.00 0.23 H new ATOM 0 HG2 GLU A 121 7.493 -4.250 5.317 1.00 0.29 H new ATOM 0 HG3 GLU A 121 6.455 -5.530 5.913 1.00 0.29 H new ATOM 1906 N CYS A 122 5.666 -2.568 5.428 1.00 0.22 N ATOM 1907 CA CYS A 122 6.085 -1.245 5.881 1.00 0.24 C ATOM 1908 C CYS A 122 7.595 -1.203 6.113 1.00 0.27 C ATOM 1909 O CYS A 122 8.178 -2.148 6.645 1.00 0.26 O ATOM 1910 CB CYS A 122 5.349 -0.868 7.167 1.00 0.27 C ATOM 1911 SG CYS A 122 3.551 -0.800 6.992 1.00 0.31 S ATOM 0 H CYS A 122 5.448 -3.220 6.182 1.00 0.22 H new ATOM 0 HA CYS A 122 5.835 -0.524 5.103 1.00 0.24 H new ATOM 0 HB2 CYS A 122 5.601 -1.591 7.943 1.00 0.27 H new ATOM 0 HB3 CYS A 122 5.708 0.103 7.507 1.00 0.27 H new ATOM 0 HG CYS A 122 3.067 0.076 7.822 1.00 0.31 H new ATOM 1917 N LYS A 123 8.220 -0.100 5.707 1.00 0.34 N ATOM 1918 CA LYS A 123 9.661 0.072 5.860 1.00 0.41 C ATOM 1919 C LYS A 123 10.027 0.440 7.296 1.00 0.43 C ATOM 1920 O LYS A 123 11.127 0.138 7.760 1.00 0.48 O ATOM 1921 CB LYS A 123 10.167 1.154 4.908 1.00 0.48 C ATOM 1922 CG LYS A 123 10.139 0.748 3.441 1.00 0.65 C ATOM 1923 CD LYS A 123 10.535 1.903 2.533 1.00 0.67 C ATOM 1924 CE LYS A 123 11.982 2.320 2.748 1.00 0.69 C ATOM 1925 NZ LYS A 123 12.930 1.200 2.488 1.00 1.39 N ATOM 0 H LYS A 123 7.748 0.690 5.268 1.00 0.34 H new ATOM 0 HA LYS A 123 10.137 -0.878 5.617 1.00 0.41 H new ATOM 0 HB2 LYS A 123 9.561 2.051 5.038 1.00 0.48 H new ATOM 0 HB3 LYS A 123 11.189 1.417 5.183 1.00 0.48 H new ATOM 0 HG2 LYS A 123 10.818 -0.090 3.282 1.00 0.65 H new ATOM 0 HG3 LYS A 123 9.139 0.403 3.177 1.00 0.65 H new ATOM 0 HD2 LYS A 123 10.391 1.613 1.492 1.00 0.67 H new ATOM 0 HD3 LYS A 123 9.880 2.754 2.720 1.00 0.67 H new ATOM 0 HE2 LYS A 123 12.220 3.156 2.091 1.00 0.69 H new ATOM 0 HE3 LYS A 123 12.109 2.673 3.771 1.00 0.69 H new ATOM 0 HZ1 LYS A 123 13.895 1.576 2.395 1.00 1.39 H new ATOM 0 HZ2 LYS A 123 12.896 0.526 3.279 1.00 1.39 H new ATOM 0 HZ3 LYS A 123 12.661 0.715 1.608 1.00 1.39 H new ATOM 1939 N THR A 124 9.107 1.099 7.994 1.00 0.43 N ATOM 1940 CA THR A 124 9.343 1.511 9.374 1.00 0.49 C ATOM 1941 C THR A 124 9.053 0.378 10.351 1.00 0.44 C ATOM 1942 O THR A 124 9.677 0.284 11.408 1.00 0.50 O ATOM 1943 CB THR A 124 8.483 2.729 9.758 1.00 0.59 C ATOM 1944 OG1 THR A 124 7.098 2.446 9.527 1.00 1.19 O ATOM 1945 CG2 THR A 124 8.895 3.958 8.962 1.00 0.88 C ATOM 0 H THR A 124 8.192 1.359 7.627 1.00 0.43 H new ATOM 0 HA THR A 124 10.397 1.783 9.438 1.00 0.49 H new ATOM 0 HB THR A 124 8.639 2.934 10.817 1.00 0.59 H new ATOM 0 HG1 THR A 124 6.758 1.868 10.242 1.00 1.19 H new ATOM 0 HG21 THR A 124 8.273 4.805 9.252 1.00 0.88 H new ATOM 0 HG22 THR A 124 9.940 4.190 9.166 1.00 0.88 H new ATOM 0 HG23 THR A 124 8.768 3.762 7.897 1.00 0.88 H new ATOM 1953 N ASP A 125 8.104 -0.481 9.991 1.00 0.39 N ATOM 1954 CA ASP A 125 7.730 -1.603 10.842 1.00 0.42 C ATOM 1955 C ASP A 125 7.910 -2.931 10.110 1.00 0.35 C ATOM 1956 O ASP A 125 6.957 -3.473 9.551 1.00 0.36 O ATOM 1957 CB ASP A 125 6.280 -1.455 11.304 1.00 0.52 C ATOM 1958 CG ASP A 125 6.033 -0.141 12.018 1.00 0.64 C ATOM 1959 OD1 ASP A 125 6.317 -0.062 13.231 1.00 0.78 O ATOM 1960 OD2 ASP A 125 5.554 0.809 11.365 1.00 0.65 O ATOM 0 H ASP A 125 7.581 -0.421 9.117 1.00 0.39 H new ATOM 0 HA ASP A 125 8.386 -1.600 11.712 1.00 0.42 H new ATOM 0 HB2 ASP A 125 5.617 -1.527 10.441 1.00 0.52 H new ATOM 0 HB3 ASP A 125 6.027 -2.280 11.970 1.00 0.52 H new ATOM 1965 N PRO A 126 9.144 -3.473 10.101 1.00 0.43 N ATOM 1966 CA PRO A 126 9.440 -4.746 9.434 1.00 0.46 C ATOM 1967 C PRO A 126 8.554 -5.879 9.939 1.00 0.45 C ATOM 1968 O PRO A 126 8.418 -6.085 11.146 1.00 0.56 O ATOM 1969 CB PRO A 126 10.903 -5.011 9.796 1.00 0.62 C ATOM 1970 CG PRO A 126 11.468 -3.671 10.115 1.00 0.89 C ATOM 1971 CD PRO A 126 10.343 -2.890 10.733 1.00 0.60 C ATOM 0 HA PRO A 126 9.258 -4.695 8.360 1.00 0.46 H new ATOM 0 HB2 PRO A 126 10.983 -5.686 10.648 1.00 0.62 H new ATOM 0 HB3 PRO A 126 11.437 -5.478 8.968 1.00 0.62 H new ATOM 0 HG2 PRO A 126 12.310 -3.755 10.802 1.00 0.89 H new ATOM 0 HG3 PRO A 126 11.838 -3.179 9.216 1.00 0.89 H new ATOM 0 HD2 PRO A 126 10.322 -3.002 11.817 1.00 0.60 H new ATOM 0 HD3 PRO A 126 10.430 -1.824 10.525 1.00 0.60 H new ATOM 1979 N GLY A 127 7.949 -6.610 9.007 1.00 0.40 N ATOM 1980 CA GLY A 127 7.080 -7.713 9.374 1.00 0.43 C ATOM 1981 C GLY A 127 5.622 -7.308 9.428 1.00 0.44 C ATOM 1982 O GLY A 127 4.765 -8.099 9.824 1.00 0.65 O ATOM 0 H GLY A 127 8.046 -6.457 8.003 1.00 0.40 H new ATOM 0 HA2 GLY A 127 7.203 -8.523 8.655 1.00 0.43 H new ATOM 0 HA3 GLY A 127 7.382 -8.102 10.346 1.00 0.43 H new ATOM 1986 N VAL A 128 5.340 -6.072 9.027 1.00 0.28 N ATOM 1987 CA VAL A 128 3.975 -5.557 9.028 1.00 0.32 C ATOM 1988 C VAL A 128 3.489 -5.296 7.606 1.00 0.21 C ATOM 1989 O VAL A 128 4.190 -4.676 6.806 1.00 0.16 O ATOM 1990 CB VAL A 128 3.866 -4.256 9.846 1.00 0.42 C ATOM 1991 CG1 VAL A 128 2.419 -3.796 9.931 1.00 0.93 C ATOM 1992 CG2 VAL A 128 4.455 -4.448 11.234 1.00 1.27 C ATOM 0 H VAL A 128 6.040 -5.408 8.697 1.00 0.28 H new ATOM 0 HA VAL A 128 3.347 -6.319 9.490 1.00 0.32 H new ATOM 0 HB VAL A 128 4.439 -3.480 9.337 1.00 0.42 H new ATOM 0 HG11 VAL A 128 2.363 -2.876 10.513 1.00 0.93 H new ATOM 0 HG12 VAL A 128 2.035 -3.614 8.927 1.00 0.93 H new ATOM 0 HG13 VAL A 128 1.820 -4.568 10.414 1.00 0.93 H new ATOM 0 HG21 VAL A 128 4.369 -3.519 11.797 1.00 1.27 H new ATOM 0 HG22 VAL A 128 3.913 -5.238 11.753 1.00 1.27 H new ATOM 0 HG23 VAL A 128 5.506 -4.725 11.148 1.00 1.27 H new ATOM 2002 N PHE A 129 2.286 -5.772 7.298 1.00 0.23 N ATOM 2003 CA PHE A 129 1.712 -5.591 5.969 1.00 0.19 C ATOM 2004 C PHE A 129 0.320 -4.974 6.053 1.00 0.16 C ATOM 2005 O PHE A 129 -0.442 -5.258 6.979 1.00 0.18 O ATOM 2006 CB PHE A 129 1.627 -6.935 5.241 1.00 0.29 C ATOM 2007 CG PHE A 129 2.834 -7.808 5.427 1.00 0.26 C ATOM 2008 CD1 PHE A 129 3.934 -7.674 4.596 1.00 0.30 C ATOM 2009 CD2 PHE A 129 2.874 -8.758 6.436 1.00 0.49 C ATOM 2010 CE1 PHE A 129 5.050 -8.470 4.765 1.00 0.38 C ATOM 2011 CE2 PHE A 129 3.987 -9.559 6.610 1.00 0.58 C ATOM 2012 CZ PHE A 129 5.062 -9.435 5.766 1.00 0.46 C ATOM 0 H PHE A 129 1.691 -6.285 7.949 1.00 0.23 H new ATOM 0 HA PHE A 129 2.363 -4.915 5.414 1.00 0.19 H new ATOM 0 HB2 PHE A 129 0.746 -7.472 5.592 1.00 0.29 H new ATOM 0 HB3 PHE A 129 1.485 -6.751 4.176 1.00 0.29 H new ATOM 0 HD1 PHE A 129 3.919 -6.938 3.806 1.00 0.30 H new ATOM 0 HD2 PHE A 129 2.025 -8.874 7.094 1.00 0.49 H new ATOM 0 HE1 PHE A 129 5.909 -8.344 4.123 1.00 0.38 H new ATOM 0 HE2 PHE A 129 4.011 -10.283 7.411 1.00 0.58 H new ATOM 0 HZ PHE A 129 5.916 -10.086 5.879 1.00 0.46 H new ATOM 2022 N ILE A 130 -0.005 -4.124 5.082 1.00 0.16 N ATOM 2023 CA ILE A 130 -1.314 -3.482 5.041 1.00 0.16 C ATOM 2024 C ILE A 130 -2.398 -4.516 4.754 1.00 0.18 C ATOM 2025 O ILE A 130 -2.165 -5.474 4.015 1.00 0.26 O ATOM 2026 CB ILE A 130 -1.376 -2.381 3.960 1.00 0.19 C ATOM 2027 CG1 ILE A 130 -0.197 -1.414 4.110 1.00 0.21 C ATOM 2028 CG2 ILE A 130 -2.697 -1.629 4.049 1.00 0.25 C ATOM 2029 CD1 ILE A 130 -0.109 -0.388 2.997 1.00 0.25 C ATOM 0 H ILE A 130 0.618 -3.865 4.317 1.00 0.16 H new ATOM 0 HA ILE A 130 -1.480 -3.023 6.016 1.00 0.16 H new ATOM 0 HB ILE A 130 -1.310 -2.853 2.980 1.00 0.19 H new ATOM 0 HG12 ILE A 130 -0.282 -0.896 5.065 1.00 0.21 H new ATOM 0 HG13 ILE A 130 0.730 -1.986 4.140 1.00 0.21 H new ATOM 0 HG21 ILE A 130 -2.728 -0.856 3.282 1.00 0.25 H new ATOM 0 HG22 ILE A 130 -3.522 -2.324 3.897 1.00 0.25 H new ATOM 0 HG23 ILE A 130 -2.788 -1.168 5.033 1.00 0.25 H new ATOM 0 HD11 ILE A 130 0.749 0.262 3.169 1.00 0.25 H new ATOM 0 HD12 ILE A 130 0.008 -0.898 2.041 1.00 0.25 H new ATOM 0 HD13 ILE A 130 -1.020 0.210 2.980 1.00 0.25 H new ATOM 2041 N GLY A 131 -3.576 -4.330 5.341 1.00 0.19 N ATOM 2042 CA GLY A 131 -4.658 -5.270 5.121 1.00 0.20 C ATOM 2043 C GLY A 131 -5.939 -4.877 5.829 1.00 0.16 C ATOM 2044 O GLY A 131 -5.907 -4.290 6.909 1.00 0.19 O ATOM 0 H GLY A 131 -3.799 -3.551 5.960 1.00 0.19 H new ATOM 0 HA2 GLY A 131 -4.851 -5.349 4.051 1.00 0.20 H new ATOM 0 HA3 GLY A 131 -4.349 -6.258 5.463 1.00 0.20 H new ATOM 2048 N VAL A 132 -7.069 -5.211 5.216 1.00 0.18 N ATOM 2049 CA VAL A 132 -8.375 -4.902 5.783 1.00 0.16 C ATOM 2050 C VAL A 132 -8.610 -5.679 7.074 1.00 0.17 C ATOM 2051 O VAL A 132 -8.546 -6.907 7.092 1.00 0.22 O ATOM 2052 CB VAL A 132 -9.498 -5.225 4.785 1.00 0.17 C ATOM 2053 CG1 VAL A 132 -10.863 -4.934 5.388 1.00 0.18 C ATOM 2054 CG2 VAL A 132 -9.297 -4.440 3.500 1.00 0.22 C ATOM 0 H VAL A 132 -7.106 -5.699 4.321 1.00 0.18 H new ATOM 0 HA VAL A 132 -8.388 -3.835 6.003 1.00 0.16 H new ATOM 0 HB VAL A 132 -9.458 -6.289 4.553 1.00 0.17 H new ATOM 0 HG11 VAL A 132 -11.640 -5.171 4.661 1.00 0.18 H new ATOM 0 HG12 VAL A 132 -11.004 -5.543 6.281 1.00 0.18 H new ATOM 0 HG13 VAL A 132 -10.926 -3.879 5.655 1.00 0.18 H new ATOM 0 HG21 VAL A 132 -10.098 -4.677 2.800 1.00 0.22 H new ATOM 0 HG22 VAL A 132 -9.311 -3.372 3.720 1.00 0.22 H new ATOM 0 HG23 VAL A 132 -8.338 -4.707 3.057 1.00 0.22 H new ATOM 2064 N LYS A 133 -8.880 -4.949 8.151 1.00 0.17 N ATOM 2065 CA LYS A 133 -9.124 -5.563 9.449 1.00 0.21 C ATOM 2066 C LYS A 133 -10.599 -5.926 9.607 1.00 0.22 C ATOM 2067 O LYS A 133 -11.015 -7.030 9.259 1.00 0.24 O ATOM 2068 CB LYS A 133 -8.685 -4.619 10.571 1.00 0.29 C ATOM 2069 CG LYS A 133 -8.585 -5.289 11.932 1.00 0.35 C ATOM 2070 CD LYS A 133 -7.449 -6.299 11.970 1.00 1.17 C ATOM 2071 CE LYS A 133 -7.309 -6.928 13.343 1.00 1.20 C ATOM 2072 NZ LYS A 133 -6.311 -8.034 13.349 1.00 2.26 N ATOM 0 H LYS A 133 -8.935 -3.930 8.150 1.00 0.17 H new ATOM 0 HA LYS A 133 -8.538 -6.480 9.512 1.00 0.21 H new ATOM 0 HB2 LYS A 133 -7.716 -4.191 10.315 1.00 0.29 H new ATOM 0 HB3 LYS A 133 -9.392 -3.792 10.635 1.00 0.29 H new ATOM 0 HG2 LYS A 133 -8.428 -4.533 12.701 1.00 0.35 H new ATOM 0 HG3 LYS A 133 -9.526 -5.788 12.164 1.00 0.35 H new ATOM 0 HD2 LYS A 133 -7.628 -7.078 11.229 1.00 1.17 H new ATOM 0 HD3 LYS A 133 -6.515 -5.808 11.697 1.00 1.17 H new ATOM 0 HE2 LYS A 133 -7.010 -6.166 14.063 1.00 1.20 H new ATOM 0 HE3 LYS A 133 -8.277 -7.311 13.667 1.00 1.20 H new ATOM 0 HZ1 LYS A 133 -6.245 -8.437 14.305 1.00 2.26 H new ATOM 0 HZ2 LYS A 133 -6.609 -8.774 12.681 1.00 2.26 H new ATOM 0 HZ3 LYS A 133 -5.381 -7.664 13.064 1.00 2.26 H new ATOM 2086 N ASP A 134 -11.388 -4.990 10.134 1.00 0.26 N ATOM 2087 CA ASP A 134 -12.817 -5.216 10.327 1.00 0.31 C ATOM 2088 C ASP A 134 -13.606 -4.812 9.086 1.00 0.28 C ATOM 2089 O ASP A 134 -14.473 -5.550 8.619 1.00 0.30 O ATOM 2090 CB ASP A 134 -13.319 -4.438 11.545 1.00 0.39 C ATOM 2091 CG ASP A 134 -14.797 -4.654 11.798 1.00 1.40 C ATOM 2092 OD1 ASP A 134 -15.153 -5.702 12.379 1.00 1.76 O ATOM 2093 OD2 ASP A 134 -15.600 -3.775 11.419 1.00 2.23 O ATOM 0 H ASP A 134 -11.062 -4.071 10.434 1.00 0.26 H new ATOM 0 HA ASP A 134 -12.970 -6.281 10.499 1.00 0.31 H new ATOM 0 HB2 ASP A 134 -12.754 -4.743 12.426 1.00 0.39 H new ATOM 0 HB3 ASP A 134 -13.130 -3.375 11.397 1.00 0.39 H new ATOM 2098 N ASN A 135 -13.297 -3.630 8.560 1.00 0.27 N ATOM 2099 CA ASN A 135 -13.970 -3.113 7.371 1.00 0.27 C ATOM 2100 C ASN A 135 -13.183 -1.957 6.765 1.00 0.23 C ATOM 2101 O ASN A 135 -13.678 -1.242 5.894 1.00 0.26 O ATOM 2102 CB ASN A 135 -15.388 -2.650 7.717 1.00 0.35 C ATOM 2103 CG ASN A 135 -15.401 -1.505 8.713 1.00 1.25 C ATOM 2104 OD1 ASN A 135 -14.516 -1.395 9.562 1.00 2.08 O ATOM 2105 ND2 ASN A 135 -16.405 -0.643 8.610 1.00 1.98 N ATOM 0 H ASN A 135 -12.582 -3.010 8.940 1.00 0.27 H new ATOM 0 HA ASN A 135 -14.028 -3.919 6.639 1.00 0.27 H new ATOM 0 HB2 ASN A 135 -15.897 -2.339 6.805 1.00 0.35 H new ATOM 0 HB3 ASN A 135 -15.951 -3.489 8.126 1.00 0.35 H new ATOM 0 HD21 ASN A 135 -16.465 0.149 9.250 1.00 1.98 H new ATOM 0 HD22 ASN A 135 -17.117 -0.773 7.891 1.00 1.98 H new ATOM 2112 N HIS A 136 -11.951 -1.781 7.234 1.00 0.19 N ATOM 2113 CA HIS A 136 -11.089 -0.708 6.750 1.00 0.21 C ATOM 2114 C HIS A 136 -9.643 -1.180 6.662 1.00 0.19 C ATOM 2115 O HIS A 136 -9.301 -2.251 7.159 1.00 0.17 O ATOM 2116 CB HIS A 136 -11.184 0.507 7.674 1.00 0.28 C ATOM 2117 CG HIS A 136 -10.783 0.217 9.089 1.00 0.35 C ATOM 2118 ND1 HIS A 136 -9.472 0.240 9.518 1.00 1.34 N ATOM 2119 CD2 HIS A 136 -11.527 -0.105 10.172 1.00 0.89 C ATOM 2120 CE1 HIS A 136 -9.428 -0.058 10.805 1.00 1.15 C ATOM 2121 NE2 HIS A 136 -10.660 -0.272 11.225 1.00 0.49 N ATOM 0 H HIS A 136 -11.527 -2.370 7.951 1.00 0.19 H new ATOM 0 HA HIS A 136 -11.425 -0.423 5.753 1.00 0.21 H new ATOM 0 HB2 HIS A 136 -10.550 1.302 7.281 1.00 0.28 H new ATOM 0 HB3 HIS A 136 -12.208 0.881 7.665 1.00 0.28 H new ATOM 0 HD1 HIS A 136 -8.664 0.453 8.934 1.00 1.34 H new ATOM 0 HD2 HIS A 136 -12.601 -0.211 10.203 1.00 0.89 H new ATOM 0 HE1 HIS A 136 -8.535 -0.116 11.410 1.00 1.15 H new ATOM 2130 N LEU A 137 -8.797 -0.372 6.032 1.00 0.21 N ATOM 2131 CA LEU A 137 -7.388 -0.714 5.884 1.00 0.22 C ATOM 2132 C LEU A 137 -6.633 -0.488 7.188 1.00 0.25 C ATOM 2133 O LEU A 137 -6.704 0.587 7.781 1.00 0.38 O ATOM 2134 CB LEU A 137 -6.752 0.112 4.764 1.00 0.27 C ATOM 2135 CG LEU A 137 -7.209 -0.251 3.351 1.00 0.27 C ATOM 2136 CD1 LEU A 137 -6.606 0.704 2.331 1.00 0.32 C ATOM 2137 CD2 LEU A 137 -6.831 -1.687 3.019 1.00 0.27 C ATOM 0 H LEU A 137 -9.062 0.521 5.617 1.00 0.21 H new ATOM 0 HA LEU A 137 -7.324 -1.771 5.626 1.00 0.22 H new ATOM 0 HB2 LEU A 137 -6.971 1.165 4.941 1.00 0.27 H new ATOM 0 HB3 LEU A 137 -5.669 -0.002 4.820 1.00 0.27 H new ATOM 0 HG LEU A 137 -8.294 -0.160 3.310 1.00 0.27 H new ATOM 0 HD11 LEU A 137 -6.943 0.429 1.332 1.00 0.32 H new ATOM 0 HD12 LEU A 137 -6.924 1.723 2.554 1.00 0.32 H new ATOM 0 HD13 LEU A 137 -5.519 0.645 2.376 1.00 0.32 H new ATOM 0 HD21 LEU A 137 -7.165 -1.927 2.009 1.00 0.27 H new ATOM 0 HD22 LEU A 137 -5.749 -1.802 3.081 1.00 0.27 H new ATOM 0 HD23 LEU A 137 -7.308 -2.362 3.729 1.00 0.27 H new ATOM 2149 N ALA A 138 -5.909 -1.513 7.625 1.00 0.20 N ATOM 2150 CA ALA A 138 -5.140 -1.439 8.860 1.00 0.21 C ATOM 2151 C ALA A 138 -3.829 -2.208 8.739 1.00 0.22 C ATOM 2152 O ALA A 138 -3.700 -3.113 7.911 1.00 0.30 O ATOM 2153 CB ALA A 138 -5.960 -1.972 10.025 1.00 0.20 C ATOM 0 H ALA A 138 -5.839 -2.407 7.140 1.00 0.20 H new ATOM 0 HA ALA A 138 -4.901 -0.392 9.046 1.00 0.21 H new ATOM 0 HB1 ALA A 138 -5.373 -1.911 10.941 1.00 0.20 H new ATOM 0 HB2 ALA A 138 -6.867 -1.377 10.134 1.00 0.20 H new ATOM 0 HB3 ALA A 138 -6.229 -3.011 9.835 1.00 0.20 H new ATOM 2159 N LEU A 139 -2.858 -1.837 9.567 1.00 0.19 N ATOM 2160 CA LEU A 139 -1.556 -2.492 9.565 1.00 0.21 C ATOM 2161 C LEU A 139 -1.650 -3.866 10.216 1.00 0.22 C ATOM 2162 O LEU A 139 -1.628 -3.986 11.442 1.00 0.28 O ATOM 2163 CB LEU A 139 -0.530 -1.632 10.305 1.00 0.23 C ATOM 2164 CG LEU A 139 -0.263 -0.257 9.686 1.00 0.30 C ATOM 2165 CD1 LEU A 139 0.657 0.559 10.580 1.00 0.62 C ATOM 2166 CD2 LEU A 139 0.338 -0.406 8.296 1.00 0.82 C ATOM 0 H LEU A 139 -2.949 -1.084 10.249 1.00 0.19 H new ATOM 0 HA LEU A 139 -1.234 -2.616 8.531 1.00 0.21 H new ATOM 0 HB2 LEU A 139 -0.870 -1.491 11.331 1.00 0.23 H new ATOM 0 HB3 LEU A 139 0.411 -2.179 10.354 1.00 0.23 H new ATOM 0 HG LEU A 139 -1.212 0.271 9.595 1.00 0.30 H new ATOM 0 HD11 LEU A 139 0.836 1.533 10.125 1.00 0.62 H new ATOM 0 HD12 LEU A 139 0.190 0.694 11.556 1.00 0.62 H new ATOM 0 HD13 LEU A 139 1.605 0.035 10.701 1.00 0.62 H new ATOM 0 HD21 LEU A 139 0.521 0.581 7.871 1.00 0.82 H new ATOM 0 HD22 LEU A 139 1.279 -0.953 8.363 1.00 0.82 H new ATOM 0 HD23 LEU A 139 -0.355 -0.953 7.657 1.00 0.82 H new ATOM 2178 N ILE A 140 -1.756 -4.901 9.390 1.00 0.18 N ATOM 2179 CA ILE A 140 -1.864 -6.267 9.887 1.00 0.19 C ATOM 2180 C ILE A 140 -0.498 -6.950 9.928 1.00 0.25 C ATOM 2181 O ILE A 140 0.172 -7.085 8.904 1.00 0.31 O ATOM 2182 CB ILE A 140 -2.830 -7.098 9.020 1.00 0.19 C ATOM 2183 CG1 ILE A 140 -4.191 -6.400 8.929 1.00 0.33 C ATOM 2184 CG2 ILE A 140 -2.989 -8.501 9.588 1.00 0.21 C ATOM 2185 CD1 ILE A 140 -5.187 -7.115 8.041 1.00 0.44 C ATOM 0 H ILE A 140 -1.769 -4.820 8.373 1.00 0.18 H new ATOM 0 HA ILE A 140 -2.259 -6.210 10.901 1.00 0.19 H new ATOM 0 HB ILE A 140 -2.411 -7.181 8.017 1.00 0.19 H new ATOM 0 HG12 ILE A 140 -4.611 -6.311 9.931 1.00 0.33 H new ATOM 0 HG13 ILE A 140 -4.045 -5.387 8.553 1.00 0.33 H new ATOM 0 HG21 ILE A 140 -3.675 -9.072 8.962 1.00 0.21 H new ATOM 0 HG22 ILE A 140 -2.019 -8.997 9.609 1.00 0.21 H new ATOM 0 HG23 ILE A 140 -3.388 -8.441 10.601 1.00 0.21 H new ATOM 0 HD11 ILE A 140 -6.125 -6.561 8.027 1.00 0.44 H new ATOM 0 HD12 ILE A 140 -4.790 -7.181 7.028 1.00 0.44 H new ATOM 0 HD13 ILE A 140 -5.364 -8.119 8.427 1.00 0.44 H new ATOM 2197 N LYS A 141 -0.093 -7.374 11.123 1.00 0.35 N ATOM 2198 CA LYS A 141 1.191 -8.042 11.306 1.00 0.44 C ATOM 2199 C LYS A 141 1.036 -9.555 11.175 1.00 0.32 C ATOM 2200 O LYS A 141 0.313 -10.183 11.950 1.00 0.50 O ATOM 2201 CB LYS A 141 1.779 -7.693 12.677 1.00 0.70 C ATOM 2202 CG LYS A 141 3.097 -8.387 12.974 1.00 0.79 C ATOM 2203 CD LYS A 141 3.568 -8.103 14.393 1.00 0.98 C ATOM 2204 CE LYS A 141 4.869 -8.827 14.703 1.00 1.45 C ATOM 2205 NZ LYS A 141 5.979 -8.378 13.818 1.00 2.04 N ATOM 0 H LYS A 141 -0.637 -7.266 11.979 1.00 0.35 H new ATOM 0 HA LYS A 141 1.871 -7.695 10.528 1.00 0.44 H new ATOM 0 HB2 LYS A 141 1.926 -6.615 12.735 1.00 0.70 H new ATOM 0 HB3 LYS A 141 1.057 -7.958 13.450 1.00 0.70 H new ATOM 0 HG2 LYS A 141 2.983 -9.462 12.835 1.00 0.79 H new ATOM 0 HG3 LYS A 141 3.854 -8.053 12.264 1.00 0.79 H new ATOM 0 HD2 LYS A 141 3.707 -7.030 14.523 1.00 0.98 H new ATOM 0 HD3 LYS A 141 2.800 -8.413 15.102 1.00 0.98 H new ATOM 0 HE2 LYS A 141 5.142 -8.653 15.744 1.00 1.45 H new ATOM 0 HE3 LYS A 141 4.723 -9.901 14.586 1.00 1.45 H new ATOM 0 HZ1 LYS A 141 6.883 -8.737 14.186 1.00 2.04 H new ATOM 0 HZ2 LYS A 141 5.827 -8.745 12.857 1.00 2.04 H new ATOM 0 HZ3 LYS A 141 6.004 -7.339 13.792 1.00 2.04 H new ATOM 2219 N VAL A 142 1.718 -10.132 10.191 1.00 0.35 N ATOM 2220 CA VAL A 142 1.654 -11.570 9.957 1.00 0.41 C ATOM 2221 C VAL A 142 3.049 -12.188 9.909 1.00 0.49 C ATOM 2222 O VAL A 142 3.888 -11.790 9.102 1.00 0.70 O ATOM 2223 CB VAL A 142 0.912 -11.888 8.642 1.00 0.56 C ATOM 2224 CG1 VAL A 142 0.967 -13.379 8.336 1.00 0.92 C ATOM 2225 CG2 VAL A 142 -0.529 -11.406 8.717 1.00 0.81 C ATOM 0 H VAL A 142 2.321 -9.626 9.543 1.00 0.35 H new ATOM 0 HA VAL A 142 1.103 -12.003 10.792 1.00 0.41 H new ATOM 0 HB VAL A 142 1.411 -11.359 7.830 1.00 0.56 H new ATOM 0 HG11 VAL A 142 0.437 -13.579 7.405 1.00 0.92 H new ATOM 0 HG12 VAL A 142 2.006 -13.692 8.237 1.00 0.92 H new ATOM 0 HG13 VAL A 142 0.497 -13.935 9.147 1.00 0.92 H new ATOM 0 HG21 VAL A 142 -1.039 -11.637 7.782 1.00 0.81 H new ATOM 0 HG22 VAL A 142 -1.037 -11.906 9.541 1.00 0.81 H new ATOM 0 HG23 VAL A 142 -0.544 -10.329 8.881 1.00 0.81 H new ATOM 2235 N ASP A 143 3.284 -13.164 10.780 1.00 0.49 N ATOM 2236 CA ASP A 143 4.573 -13.843 10.840 1.00 0.57 C ATOM 2237 C ASP A 143 4.660 -14.932 9.773 1.00 0.84 C ATOM 2238 O ASP A 143 3.684 -15.629 9.501 1.00 1.02 O ATOM 2239 CB ASP A 143 4.782 -14.450 12.229 1.00 0.73 C ATOM 2240 CG ASP A 143 4.805 -13.398 13.320 1.00 1.51 C ATOM 2241 OD1 ASP A 143 3.720 -13.047 13.830 1.00 2.39 O ATOM 2242 OD2 ASP A 143 5.908 -12.925 13.665 1.00 1.78 O ATOM 0 H ASP A 143 2.598 -13.503 11.454 1.00 0.49 H new ATOM 0 HA ASP A 143 5.358 -13.111 10.649 1.00 0.57 H new ATOM 0 HB2 ASP A 143 3.985 -15.165 12.434 1.00 0.73 H new ATOM 0 HB3 ASP A 143 5.720 -15.005 12.243 1.00 0.73 H new ATOM 2247 N SER A 144 5.838 -15.067 9.171 1.00 1.03 N ATOM 2248 CA SER A 144 6.055 -16.063 8.128 1.00 1.43 C ATOM 2249 C SER A 144 5.933 -17.479 8.683 1.00 1.30 C ATOM 2250 O SER A 144 6.434 -17.776 9.767 1.00 1.83 O ATOM 2251 CB SER A 144 7.432 -15.870 7.489 1.00 2.21 C ATOM 2252 OG SER A 144 7.666 -16.836 6.479 1.00 3.06 O ATOM 0 H SER A 144 6.657 -14.499 9.388 1.00 1.03 H new ATOM 0 HA SER A 144 5.285 -15.926 7.369 1.00 1.43 H new ATOM 0 HB2 SER A 144 7.501 -14.869 7.062 1.00 2.21 H new ATOM 0 HB3 SER A 144 8.205 -15.945 8.254 1.00 2.21 H new ATOM 0 HG SER A 144 8.552 -16.690 6.085 1.00 3.06 H new ATOM 2258 N SER A 145 5.256 -18.342 7.926 1.00 1.31 N ATOM 2259 CA SER A 145 5.059 -19.738 8.317 1.00 1.34 C ATOM 2260 C SER A 145 4.196 -19.854 9.572 1.00 1.30 C ATOM 2261 O SER A 145 3.958 -20.954 10.069 1.00 1.61 O ATOM 2262 CB SER A 145 6.406 -20.427 8.544 1.00 1.94 C ATOM 2263 OG SER A 145 6.236 -21.812 8.792 1.00 2.25 O ATOM 0 H SER A 145 4.832 -18.096 7.032 1.00 1.31 H new ATOM 0 HA SER A 145 4.536 -20.235 7.500 1.00 1.34 H new ATOM 0 HB2 SER A 145 7.042 -20.286 7.670 1.00 1.94 H new ATOM 0 HB3 SER A 145 6.917 -19.964 9.388 1.00 1.94 H new ATOM 0 HG SER A 145 5.447 -21.949 9.357 1.00 2.25 H new ATOM 2269 N GLU A 146 3.723 -18.719 10.078 1.00 1.26 N ATOM 2270 CA GLU A 146 2.891 -18.710 11.275 1.00 1.51 C ATOM 2271 C GLU A 146 1.425 -18.468 10.924 1.00 1.43 C ATOM 2272 O GLU A 146 0.542 -19.197 11.379 1.00 1.95 O ATOM 2273 CB GLU A 146 3.378 -17.638 12.254 1.00 1.75 C ATOM 2274 CG GLU A 146 2.668 -17.670 13.597 1.00 1.72 C ATOM 2275 CD GLU A 146 3.132 -16.567 14.528 1.00 2.48 C ATOM 2276 OE1 GLU A 146 4.147 -16.768 15.229 1.00 3.07 O ATOM 2277 OE2 GLU A 146 2.482 -15.501 14.556 1.00 3.04 O ATOM 0 H GLU A 146 3.901 -17.797 9.679 1.00 1.26 H new ATOM 0 HA GLU A 146 2.973 -19.689 11.748 1.00 1.51 H new ATOM 0 HB2 GLU A 146 4.448 -17.765 12.416 1.00 1.75 H new ATOM 0 HB3 GLU A 146 3.239 -16.656 11.802 1.00 1.75 H new ATOM 0 HG2 GLU A 146 1.594 -17.578 13.438 1.00 1.72 H new ATOM 0 HG3 GLU A 146 2.839 -18.636 14.071 1.00 1.72 H new ATOM 2284 N ASN A 147 1.170 -17.445 10.113 1.00 1.13 N ATOM 2285 CA ASN A 147 -0.192 -17.113 9.707 1.00 1.51 C ATOM 2286 C ASN A 147 -0.267 -16.817 8.211 1.00 1.30 C ATOM 2287 O ASN A 147 -0.818 -15.798 7.796 1.00 1.68 O ATOM 2288 CB ASN A 147 -0.706 -15.911 10.504 1.00 2.13 C ATOM 2289 CG ASN A 147 -0.757 -16.184 11.993 1.00 2.99 C ATOM 2290 OD1 ASN A 147 0.206 -15.930 12.718 1.00 3.45 O ATOM 2291 ND2 ASN A 147 -1.886 -16.706 12.461 1.00 3.59 N ATOM 0 H ASN A 147 1.887 -16.833 9.725 1.00 1.13 H new ATOM 0 HA ASN A 147 -0.823 -17.977 9.915 1.00 1.51 H new ATOM 0 HB2 ASN A 147 -0.062 -15.052 10.317 1.00 2.13 H new ATOM 0 HB3 ASN A 147 -1.703 -15.644 10.152 1.00 2.13 H new ATOM 0 HD21 ASN A 147 -1.979 -16.912 13.456 1.00 3.59 H new ATOM 0 HD22 ASN A 147 -2.660 -16.901 11.825 1.00 3.59 H new ATOM 2298 N LEU A 148 0.284 -17.720 7.406 1.00 0.97 N ATOM 2299 CA LEU A 148 0.278 -17.557 5.955 1.00 1.05 C ATOM 2300 C LEU A 148 -1.147 -17.543 5.413 1.00 0.99 C ATOM 2301 O LEU A 148 -1.409 -16.997 4.340 1.00 1.29 O ATOM 2302 CB LEU A 148 1.075 -18.682 5.290 1.00 1.08 C ATOM 2303 CG LEU A 148 2.554 -18.749 5.676 1.00 1.18 C ATOM 2304 CD1 LEU A 148 3.201 -19.994 5.091 1.00 1.72 C ATOM 2305 CD2 LEU A 148 3.283 -17.499 5.207 1.00 1.74 C ATOM 0 H LEU A 148 0.740 -18.572 7.733 1.00 0.97 H new ATOM 0 HA LEU A 148 0.746 -16.601 5.722 1.00 1.05 H new ATOM 0 HB2 LEU A 148 0.607 -19.634 5.540 1.00 1.08 H new ATOM 0 HB3 LEU A 148 1.003 -18.566 4.209 1.00 1.08 H new ATOM 0 HG LEU A 148 2.625 -18.802 6.762 1.00 1.18 H new ATOM 0 HD11 LEU A 148 4.253 -20.025 5.376 1.00 1.72 H new ATOM 0 HD12 LEU A 148 2.695 -20.881 5.473 1.00 1.72 H new ATOM 0 HD13 LEU A 148 3.120 -19.970 4.004 1.00 1.72 H new ATOM 0 HD21 LEU A 148 4.334 -17.563 5.490 1.00 1.74 H new ATOM 0 HD22 LEU A 148 3.203 -17.416 4.123 1.00 1.74 H new ATOM 0 HD23 LEU A 148 2.835 -16.621 5.672 1.00 1.74 H new ATOM 2317 N CYS A 149 -2.067 -18.148 6.160 1.00 0.81 N ATOM 2318 CA CYS A 149 -3.468 -18.204 5.753 1.00 0.79 C ATOM 2319 C CYS A 149 -4.229 -16.976 6.243 1.00 0.79 C ATOM 2320 O CYS A 149 -4.899 -17.019 7.276 1.00 1.26 O ATOM 2321 CB CYS A 149 -4.126 -19.478 6.287 1.00 0.77 C ATOM 2322 SG CYS A 149 -3.393 -21.007 5.657 1.00 1.73 S ATOM 0 H CYS A 149 -1.868 -18.606 7.049 1.00 0.81 H new ATOM 0 HA CYS A 149 -3.503 -18.216 4.664 1.00 0.79 H new ATOM 0 HB2 CYS A 149 -4.062 -19.478 7.375 1.00 0.77 H new ATOM 0 HB3 CYS A 149 -5.185 -19.462 6.030 1.00 0.77 H new ATOM 0 HG CYS A 149 -4.015 -22.029 6.167 1.00 1.73 H new ATOM 2328 N THR A 150 -4.121 -15.883 5.494 1.00 0.52 N ATOM 2329 CA THR A 150 -4.798 -14.642 5.847 1.00 0.47 C ATOM 2330 C THR A 150 -5.291 -13.913 4.600 1.00 0.37 C ATOM 2331 O THR A 150 -4.507 -13.297 3.877 1.00 0.35 O ATOM 2332 CB THR A 150 -3.870 -13.709 6.653 1.00 0.52 C ATOM 2333 OG1 THR A 150 -3.417 -14.374 7.837 1.00 0.83 O ATOM 2334 CG2 THR A 150 -4.587 -12.423 7.032 1.00 1.06 C ATOM 0 H THR A 150 -3.570 -15.833 4.637 1.00 0.52 H new ATOM 0 HA THR A 150 -5.655 -14.908 6.466 1.00 0.47 H new ATOM 0 HB THR A 150 -3.015 -13.456 6.026 1.00 0.52 H new ATOM 0 HG1 THR A 150 -2.549 -14.796 7.664 1.00 0.83 H new ATOM 0 HG21 THR A 150 -3.911 -11.783 7.599 1.00 1.06 H new ATOM 0 HG22 THR A 150 -4.905 -11.904 6.128 1.00 1.06 H new ATOM 0 HG23 THR A 150 -5.460 -12.659 7.641 1.00 1.06 H new ATOM 2342 N GLU A 151 -6.593 -13.992 4.352 1.00 0.38 N ATOM 2343 CA GLU A 151 -7.201 -13.349 3.192 1.00 0.34 C ATOM 2344 C GLU A 151 -7.118 -11.828 3.291 1.00 0.28 C ATOM 2345 O GLU A 151 -7.269 -11.123 2.292 1.00 0.28 O ATOM 2346 CB GLU A 151 -8.663 -13.780 3.058 1.00 0.46 C ATOM 2347 CG GLU A 151 -8.850 -15.286 2.982 1.00 1.22 C ATOM 2348 CD GLU A 151 -10.308 -15.691 2.899 1.00 1.34 C ATOM 2349 OE1 GLU A 151 -10.942 -15.848 3.964 1.00 1.46 O ATOM 2350 OE2 GLU A 151 -10.817 -15.852 1.771 1.00 1.95 O ATOM 0 H GLU A 151 -7.252 -14.498 4.943 1.00 0.38 H new ATOM 0 HA GLU A 151 -6.646 -13.663 2.308 1.00 0.34 H new ATOM 0 HB2 GLU A 151 -9.226 -13.395 3.909 1.00 0.46 H new ATOM 0 HB3 GLU A 151 -9.087 -13.324 2.163 1.00 0.46 H new ATOM 0 HG2 GLU A 151 -8.320 -15.670 2.110 1.00 1.22 H new ATOM 0 HG3 GLU A 151 -8.398 -15.749 3.859 1.00 1.22 H new ATOM 2357 N ASN A 152 -6.877 -11.326 4.499 1.00 0.27 N ATOM 2358 CA ASN A 152 -6.791 -9.888 4.728 1.00 0.28 C ATOM 2359 C ASN A 152 -5.515 -9.295 4.132 1.00 0.29 C ATOM 2360 O ASN A 152 -5.533 -8.186 3.598 1.00 0.32 O ATOM 2361 CB ASN A 152 -6.852 -9.586 6.226 1.00 0.37 C ATOM 2362 CG ASN A 152 -8.150 -10.049 6.857 1.00 0.53 C ATOM 2363 OD1 ASN A 152 -9.191 -10.092 6.202 1.00 1.30 O ATOM 2364 ND2 ASN A 152 -8.096 -10.399 8.137 1.00 1.29 N ATOM 0 H ASN A 152 -6.738 -11.895 5.334 1.00 0.27 H new ATOM 0 HA ASN A 152 -7.642 -9.425 4.228 1.00 0.28 H new ATOM 0 HB2 ASN A 152 -6.014 -10.072 6.726 1.00 0.37 H new ATOM 0 HB3 ASN A 152 -6.738 -8.513 6.382 1.00 0.37 H new ATOM 0 HD21 ASN A 152 -8.939 -10.719 8.614 1.00 1.29 H new ATOM 0 HD22 ASN A 152 -7.212 -10.348 8.643 1.00 1.29 H new ATOM 2371 N ILE A 153 -4.413 -10.033 4.224 1.00 0.31 N ATOM 2372 CA ILE A 153 -3.135 -9.561 3.697 1.00 0.37 C ATOM 2373 C ILE A 153 -2.978 -9.907 2.217 1.00 0.38 C ATOM 2374 O ILE A 153 -1.861 -10.061 1.722 1.00 0.71 O ATOM 2375 CB ILE A 153 -1.946 -10.152 4.482 1.00 0.42 C ATOM 2376 CG1 ILE A 153 -1.919 -11.676 4.337 1.00 0.40 C ATOM 2377 CG2 ILE A 153 -2.031 -9.749 5.947 1.00 0.48 C ATOM 2378 CD1 ILE A 153 -0.721 -12.329 4.993 1.00 0.48 C ATOM 0 H ILE A 153 -4.378 -10.956 4.656 1.00 0.31 H new ATOM 0 HA ILE A 153 -3.133 -8.477 3.812 1.00 0.37 H new ATOM 0 HB ILE A 153 -1.019 -9.754 4.070 1.00 0.42 H new ATOM 0 HG12 ILE A 153 -2.830 -12.089 4.770 1.00 0.40 H new ATOM 0 HG13 ILE A 153 -1.926 -11.931 3.277 1.00 0.40 H new ATOM 0 HG21 ILE A 153 -1.186 -10.172 6.490 1.00 0.48 H new ATOM 0 HG22 ILE A 153 -2.006 -8.662 6.027 1.00 0.48 H new ATOM 0 HG23 ILE A 153 -2.961 -10.123 6.374 1.00 0.48 H new ATOM 0 HD11 ILE A 153 -0.771 -13.408 4.849 1.00 0.48 H new ATOM 0 HD12 ILE A 153 0.195 -11.944 4.543 1.00 0.48 H new ATOM 0 HD13 ILE A 153 -0.723 -12.105 6.060 1.00 0.48 H new ATOM 2390 N LEU A 154 -4.101 -10.024 1.517 1.00 0.24 N ATOM 2391 CA LEU A 154 -4.082 -10.348 0.096 1.00 0.22 C ATOM 2392 C LEU A 154 -4.806 -9.279 -0.717 1.00 0.20 C ATOM 2393 O LEU A 154 -6.028 -9.149 -0.641 1.00 0.28 O ATOM 2394 CB LEU A 154 -4.729 -11.715 -0.145 1.00 0.23 C ATOM 2395 CG LEU A 154 -4.077 -12.886 0.599 1.00 0.28 C ATOM 2396 CD1 LEU A 154 -4.848 -14.172 0.344 1.00 0.30 C ATOM 2397 CD2 LEU A 154 -2.621 -13.044 0.182 1.00 0.35 C ATOM 0 H LEU A 154 -5.034 -9.900 1.910 1.00 0.24 H new ATOM 0 HA LEU A 154 -3.042 -10.383 -0.229 1.00 0.22 H new ATOM 0 HB2 LEU A 154 -5.778 -11.659 0.146 1.00 0.23 H new ATOM 0 HB3 LEU A 154 -4.706 -11.927 -1.214 1.00 0.23 H new ATOM 0 HG LEU A 154 -4.105 -12.672 1.667 1.00 0.28 H new ATOM 0 HD11 LEU A 154 -4.372 -14.994 0.879 1.00 0.30 H new ATOM 0 HD12 LEU A 154 -5.874 -14.057 0.694 1.00 0.30 H new ATOM 0 HD13 LEU A 154 -4.851 -14.389 -0.724 1.00 0.30 H new ATOM 0 HD21 LEU A 154 -2.177 -13.880 0.722 1.00 0.35 H new ATOM 0 HD22 LEU A 154 -2.568 -13.235 -0.890 1.00 0.35 H new ATOM 0 HD23 LEU A 154 -2.074 -12.130 0.415 1.00 0.35 H new ATOM 2409 N PHE A 155 -4.043 -8.514 -1.493 1.00 0.17 N ATOM 2410 CA PHE A 155 -4.612 -7.455 -2.320 1.00 0.18 C ATOM 2411 C PHE A 155 -4.585 -7.828 -3.797 1.00 0.17 C ATOM 2412 O PHE A 155 -3.758 -8.632 -4.230 1.00 0.20 O ATOM 2413 CB PHE A 155 -3.851 -6.143 -2.115 1.00 0.22 C ATOM 2414 CG PHE A 155 -4.188 -5.442 -0.832 1.00 0.24 C ATOM 2415 CD1 PHE A 155 -5.450 -4.910 -0.631 1.00 0.37 C ATOM 2416 CD2 PHE A 155 -3.239 -5.308 0.168 1.00 0.43 C ATOM 2417 CE1 PHE A 155 -5.762 -4.258 0.546 1.00 0.42 C ATOM 2418 CE2 PHE A 155 -3.544 -4.655 1.346 1.00 0.52 C ATOM 2419 CZ PHE A 155 -4.808 -4.130 1.536 1.00 0.42 C ATOM 0 H PHE A 155 -3.030 -8.608 -1.566 1.00 0.17 H new ATOM 0 HA PHE A 155 -5.649 -7.325 -2.012 1.00 0.18 H new ATOM 0 HB2 PHE A 155 -2.781 -6.348 -2.136 1.00 0.22 H new ATOM 0 HB3 PHE A 155 -4.065 -5.476 -2.950 1.00 0.22 H new ATOM 0 HD1 PHE A 155 -6.199 -5.006 -1.403 1.00 0.37 H new ATOM 0 HD2 PHE A 155 -2.250 -5.718 0.025 1.00 0.43 H new ATOM 0 HE1 PHE A 155 -6.751 -3.849 0.692 1.00 0.42 H new ATOM 0 HE2 PHE A 155 -2.795 -4.555 2.118 1.00 0.52 H new ATOM 0 HZ PHE A 155 -5.049 -3.620 2.457 1.00 0.42 H new ATOM 2429 N LYS A 156 -5.492 -7.233 -4.562 1.00 0.18 N ATOM 2430 CA LYS A 156 -5.579 -7.486 -5.995 1.00 0.21 C ATOM 2431 C LYS A 156 -5.592 -6.169 -6.764 1.00 0.22 C ATOM 2432 O LYS A 156 -6.274 -5.220 -6.374 1.00 0.28 O ATOM 2433 CB LYS A 156 -6.833 -8.298 -6.322 1.00 0.24 C ATOM 2434 CG LYS A 156 -6.906 -9.630 -5.588 1.00 0.27 C ATOM 2435 CD LYS A 156 -8.072 -10.481 -6.073 1.00 0.40 C ATOM 2436 CE LYS A 156 -9.409 -9.809 -5.809 1.00 0.93 C ATOM 2437 NZ LYS A 156 -10.555 -10.679 -6.191 1.00 1.38 N ATOM 0 H LYS A 156 -6.181 -6.568 -4.211 1.00 0.18 H new ATOM 0 HA LYS A 156 -4.704 -8.062 -6.297 1.00 0.21 H new ATOM 0 HB2 LYS A 156 -7.714 -7.707 -6.072 1.00 0.24 H new ATOM 0 HB3 LYS A 156 -6.867 -8.482 -7.396 1.00 0.24 H new ATOM 0 HG2 LYS A 156 -5.973 -10.176 -5.732 1.00 0.27 H new ATOM 0 HG3 LYS A 156 -7.008 -9.450 -4.518 1.00 0.27 H new ATOM 0 HD2 LYS A 156 -7.965 -10.670 -7.141 1.00 0.40 H new ATOM 0 HD3 LYS A 156 -8.047 -11.450 -5.574 1.00 0.40 H new ATOM 0 HE2 LYS A 156 -9.484 -9.554 -4.752 1.00 0.93 H new ATOM 0 HE3 LYS A 156 -9.462 -8.874 -6.367 1.00 0.93 H new ATOM 0 HZ1 LYS A 156 -11.256 -10.119 -6.717 1.00 1.38 H new ATOM 0 HZ2 LYS A 156 -10.215 -11.459 -6.789 1.00 1.38 H new ATOM 0 HZ3 LYS A 156 -10.996 -11.068 -5.333 1.00 1.38 H new ATOM 2451 N LEU A 157 -4.829 -6.122 -7.854 1.00 0.25 N ATOM 2452 CA LEU A 157 -4.743 -4.922 -8.679 1.00 0.29 C ATOM 2453 C LEU A 157 -5.572 -5.065 -9.951 1.00 0.32 C ATOM 2454 O LEU A 157 -5.397 -6.013 -10.715 1.00 0.53 O ATOM 2455 CB LEU A 157 -3.283 -4.637 -9.044 1.00 0.39 C ATOM 2456 CG LEU A 157 -2.341 -4.439 -7.854 1.00 0.48 C ATOM 2457 CD1 LEU A 157 -0.907 -4.287 -8.334 1.00 0.58 C ATOM 2458 CD2 LEU A 157 -2.761 -3.226 -7.035 1.00 0.51 C ATOM 0 H LEU A 157 -4.262 -6.902 -8.185 1.00 0.25 H new ATOM 0 HA LEU A 157 -5.143 -4.089 -8.101 1.00 0.29 H new ATOM 0 HB2 LEU A 157 -2.909 -5.462 -9.650 1.00 0.39 H new ATOM 0 HB3 LEU A 157 -3.249 -3.743 -9.667 1.00 0.39 H new ATOM 0 HG LEU A 157 -2.401 -5.321 -7.216 1.00 0.48 H new ATOM 0 HD11 LEU A 157 -0.249 -4.147 -7.476 1.00 0.58 H new ATOM 0 HD12 LEU A 157 -0.608 -5.183 -8.878 1.00 0.58 H new ATOM 0 HD13 LEU A 157 -0.834 -3.422 -8.993 1.00 0.58 H new ATOM 0 HD21 LEU A 157 -2.080 -3.101 -6.193 1.00 0.51 H new ATOM 0 HD22 LEU A 157 -2.730 -2.335 -7.662 1.00 0.51 H new ATOM 0 HD23 LEU A 157 -3.775 -3.372 -6.662 1.00 0.51 H new ATOM 2470 N SER A 158 -6.474 -4.112 -10.171 1.00 0.41 N ATOM 2471 CA SER A 158 -7.326 -4.123 -11.352 1.00 0.48 C ATOM 2472 C SER A 158 -6.880 -3.061 -12.350 1.00 0.50 C ATOM 2473 O SER A 158 -6.477 -1.962 -11.964 1.00 0.69 O ATOM 2474 CB SER A 158 -8.783 -3.884 -10.955 1.00 0.57 C ATOM 2475 OG SER A 158 -9.285 -4.959 -10.181 1.00 1.47 O ATOM 0 H SER A 158 -6.632 -3.322 -9.545 1.00 0.41 H new ATOM 0 HA SER A 158 -7.240 -5.101 -11.825 1.00 0.48 H new ATOM 0 HB2 SER A 158 -8.861 -2.956 -10.388 1.00 0.57 H new ATOM 0 HB3 SER A 158 -9.392 -3.762 -11.851 1.00 0.57 H new ATOM 0 HG SER A 158 -10.218 -4.780 -9.939 1.00 1.47 H new ATOM 2481 N GLU A 159 -6.952 -3.393 -13.635 1.00 0.58 N ATOM 2482 CA GLU A 159 -6.554 -2.464 -14.687 1.00 0.66 C ATOM 2483 C GLU A 159 -7.777 -1.834 -15.343 1.00 0.60 C ATOM 2484 O GLU A 159 -8.286 -2.341 -16.343 1.00 0.73 O ATOM 2485 CB GLU A 159 -5.708 -3.186 -15.738 1.00 0.94 C ATOM 2486 CG GLU A 159 -4.472 -3.860 -15.164 1.00 1.13 C ATOM 2487 CD GLU A 159 -3.653 -4.573 -16.221 1.00 1.69 C ATOM 2488 OE1 GLU A 159 -3.987 -5.731 -16.551 1.00 2.11 O ATOM 2489 OE2 GLU A 159 -2.676 -3.976 -16.719 1.00 2.23 O ATOM 0 H GLU A 159 -7.282 -4.297 -13.973 1.00 0.58 H new ATOM 0 HA GLU A 159 -5.958 -1.671 -14.235 1.00 0.66 H new ATOM 0 HB2 GLU A 159 -6.323 -3.936 -16.235 1.00 0.94 H new ATOM 0 HB3 GLU A 159 -5.401 -2.470 -16.500 1.00 0.94 H new ATOM 0 HG2 GLU A 159 -3.851 -3.112 -14.671 1.00 1.13 H new ATOM 0 HG3 GLU A 159 -4.775 -4.576 -14.400 1.00 1.13 H new ATOM 2496 N THR A 160 -8.243 -0.725 -14.767 1.00 0.57 N ATOM 2497 CA THR A 160 -9.407 -0.007 -15.284 1.00 0.69 C ATOM 2498 C THR A 160 -10.576 -0.953 -15.552 1.00 1.35 C ATOM 2499 O THR A 160 -11.323 -1.253 -14.596 1.00 1.89 O ATOM 2500 CB THR A 160 -9.070 0.766 -16.576 1.00 1.14 C ATOM 2501 OG1 THR A 160 -8.593 -0.132 -17.585 1.00 1.94 O ATOM 2502 CG2 THR A 160 -8.021 1.836 -16.307 1.00 1.98 C ATOM 2503 OXT THR A 160 -10.739 -1.382 -16.714 1.00 2.15 O ATOM 0 H THR A 160 -7.828 -0.303 -13.936 1.00 0.57 H new ATOM 0 HA THR A 160 -9.699 0.706 -14.513 1.00 0.69 H new ATOM 0 HB THR A 160 -9.982 1.248 -16.928 1.00 1.14 H new ATOM 0 HG1 THR A 160 -8.919 -1.037 -17.398 1.00 1.94 H new ATOM 0 HG21 THR A 160 -7.799 2.368 -17.232 1.00 1.98 H new ATOM 0 HG22 THR A 160 -8.400 2.539 -15.566 1.00 1.98 H new ATOM 0 HG23 THR A 160 -7.112 1.368 -15.931 1.00 1.98 H new TER 2511 THR A 160