USER MOD reduce.3.24.130724 H: found=0, std=0, add=1288, rem=0, adj=51 USER MOD reduce.3.24.130724 removed 1287 hydrogens (33 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 130 SER OG : rot 170:sc= -0.467 USER MOD Set 1.2: A 135 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 103 THR OG1 : rot 180:sc= 0.00354 USER MOD Set 2.2: A 115 THR OG1 : rot -99:sc= 0.00268 USER MOD Set 3.1: A 86 THR OG1 : rot -116:sc= 0.546 USER MOD Set 3.2: A 88 HIS : no HD1:sc= -1.03 K(o=-0.49,f=-5.7!) USER MOD Set 4.1: A 43 LYS NZ :NH3+ -164:sc= 0.151! (180deg=-1.21!) USER MOD Set 4.2: A 58 MET CE :methyl -115:sc= -0.813 (180deg=-0.221) USER MOD Set 4.3: A 60 ASN : amide:sc= 0.615 K(o=1.1,f=-7.4) USER MOD Set 4.4: A 67 THR OG1 : rot -178:sc= -1.22! USER MOD Set 4.5: A 118 TYR OH : rot 180:sc= 0 USER MOD Set 4.6: A 140 TYR OH : rot -116:sc= 0.186 USER MOD Set 4.7: A1001 OLA O2 : rot 92:sc= 2.18 USER MOD Set 5.1: A 42 THR OG1 : rot 180:sc= 0.0614 USER MOD Set 5.2: A 143 GLN : amide:sc= -6.18! C(o=-6.1!,f=-7.9!) USER MOD Set 6.1: A 0 SER OG : rot 140:sc= 1.93 USER MOD Set 6.2: A -5 HIS : no HE2:sc= -0.417 K(o=1.5,f=-5.8!) USER MOD Single : A 1 LYS NZ :NH3+ 169:sc= -0.0199 (180deg=-0.169) USER MOD Single : A 2 THR OG1 : rot 180:sc=5.24e-05 USER MOD Single : A 6 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0408) USER MOD Single : A -2 HIS : no HD1:sc= 0 X(o=0,f=-0.0053) USER MOD Single : A -3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -7 HIS : no HD1:sc= -0.0582 X(o=-0.058,f=0) USER MOD Single : A -8 SER OG : rot 180:sc= 0.122 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 166:sc= -0.0443 (180deg=-0.289) USER MOD Single : A 18 ASN : amide:sc= -1.34 K(o=-1.3,f=-4.5!) USER MOD Single : A 22 TYR OH : rot 30:sc= 0.439 USER MOD Single : A 24 LYS NZ :NH3+ 167:sc= 1.02 (180deg=0.86) USER MOD Single : A 28 TYR OH : rot 180:sc= -0.506 USER MOD Single : A 32 MET CE :methyl -168:sc= -3.06! (180deg=-3.82!) USER MOD Single : A 34 GLN : amide:sc= -0.461 X(o=-0.46,f=-0.2) USER MOD Single : A 37 LYS NZ :NH3+ -177:sc= 1.24 (180deg=1.16) USER MOD Single : A 44 LYS NZ :NH3+ -165:sc= 1.23 (180deg=1.07) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -120:sc= 0.697 USER MOD Single : A 63 THR OG1 : rot 170:sc= -0.109 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -118:sc= 0.512 (180deg=-0.0607) USER MOD Single : A 68 HIS : no HD1:sc= -1.89 K(o=-1.9,f=-2.8) USER MOD Single : A 69 HIS : no HD1:sc= -1.19 K(o=0.96,f=-9.4!) USER MOD Single : A 70 LYS NZ :NH3+ -118:sc= 1.19 (180deg=-0.245) USER MOD Single : A 79 GLN : amide:sc= -0.659 X(o=-0.66,f=-0.84) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -3.94! C(o=-3.9!,f=-1.7!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.0259 USER MOD Single : A 95 LYS NZ :NH3+ 176:sc= 1.03 (180deg=0.914) USER MOD Single : A 98 ASN : amide:sc= -0.168 X(o=-0.17,f=-0.14) USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.146 USER MOD Single : A -11 MET CE :methyl 161:sc= -0.106 (180deg=-0.608) USER MOD Single : A -11 MET N :NH3+ -173:sc= 0 (180deg=-0.0542) USER MOD Single : A 101 THR OG1 : rot -18:sc= 0.892 USER MOD Single : A 104 HIS : no HD1:sc= -4.48! C(o=-3.8!,f=-7.8!) USER MOD Single : A 106 LYS NZ :NH3+ 167:sc= 2.14 (180deg=0.866) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0.0062 USER MOD Single : A 116 TYR OH : rot 78:sc= 1.05 USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 127 MET CE :methyl 170:sc= -1.3 (180deg=-1.57) USER MOD Single : A 128 LYS NZ :NH3+ -163:sc= -0.055 (180deg=-0.333) USER MOD Single : A 129 MET CE :methyl 142:sc= -4.46! (180deg=-7.04!) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 THR OG1 : rot -170:sc= 0.994 USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 139 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 LYS NZ :NH3+ -174:sc= 1.12 (180deg=1.06) USER MOD Single : A 142 LYS NZ :NH3+ 149:sc= 1.14 (180deg=0.621) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -11 -4.376 -19.924 -17.521 1.00 13.25 N ATOM 2 CA MET A -11 -3.169 -19.569 -16.739 1.00 13.08 C ATOM 3 C MET A -11 -3.502 -18.550 -15.653 1.00 12.76 C ATOM 4 O MET A -11 -3.018 -18.650 -14.527 1.00 12.82 O ATOM 5 CB MET A -11 -2.081 -19.009 -17.659 1.00 13.51 C ATOM 6 CG MET A -11 -0.791 -18.659 -16.932 1.00 13.65 C ATOM 7 SD MET A -11 0.479 -18.004 -18.032 1.00 14.00 S ATOM 8 CE MET A -11 -0.308 -16.504 -18.611 1.00 14.47 C ATOM 0 H1 MET A -11 -4.151 -20.703 -18.173 1.00 13.25 H new ATOM 0 H2 MET A -11 -5.134 -20.222 -16.874 1.00 13.25 H new ATOM 0 H3 MET A -11 -4.692 -19.097 -18.066 1.00 13.25 H new ATOM 0 HA MET A -11 -2.800 -20.477 -16.262 1.00 13.08 H new ATOM 0 HB2 MET A -11 -1.863 -19.740 -18.437 1.00 13.51 H new ATOM 0 HB3 MET A -11 -2.461 -18.117 -18.157 1.00 13.51 H new ATOM 0 HG2 MET A -11 -1.005 -17.925 -16.155 1.00 13.65 H new ATOM 0 HG3 MET A -11 -0.408 -19.549 -16.433 1.00 13.65 H new ATOM 0 HE1 MET A -11 0.447 -15.830 -19.015 1.00 14.47 H new ATOM 0 HE2 MET A -11 -1.030 -16.749 -19.390 1.00 14.47 H new ATOM 0 HE3 MET A -11 -0.821 -16.018 -17.781 1.00 14.47 H new ATOM 20 N ARG A -10 -4.332 -17.573 -15.988 1.00 12.64 N ATOM 21 CA ARG A -10 -4.680 -16.519 -15.047 1.00 12.57 C ATOM 22 C ARG A -10 -5.916 -16.896 -14.238 1.00 12.08 C ATOM 23 O ARG A -10 -7.000 -16.355 -14.452 1.00 12.07 O ATOM 24 CB ARG A -10 -4.934 -15.203 -15.787 1.00 13.16 C ATOM 25 CG ARG A -10 -3.735 -14.683 -16.559 1.00 13.66 C ATOM 26 CD ARG A -10 -2.554 -14.411 -15.644 1.00 14.28 C ATOM 27 NE ARG A -10 -1.457 -13.764 -16.355 1.00 14.70 N ATOM 28 CZ ARG A -10 -0.216 -13.662 -15.881 1.00 15.36 C ATOM 29 NH1 ARG A -10 0.098 -14.192 -14.705 1.00 15.68 N ATOM 30 NH2 ARG A -10 0.710 -13.030 -16.590 1.00 15.82 N ATOM 0 H ARG A -10 -4.776 -17.488 -16.902 1.00 12.64 H new ATOM 0 HA ARG A -10 -3.840 -16.391 -14.364 1.00 12.57 H new ATOM 0 HB2 ARG A -10 -5.765 -15.342 -16.479 1.00 13.16 H new ATOM 0 HB3 ARG A -10 -5.243 -14.447 -15.065 1.00 13.16 H new ATOM 0 HG2 ARG A -10 -3.447 -15.410 -17.318 1.00 13.66 H new ATOM 0 HG3 ARG A -10 -4.008 -13.767 -17.083 1.00 13.66 H new ATOM 0 HD2 ARG A -10 -2.874 -13.779 -14.816 1.00 14.28 H new ATOM 0 HD3 ARG A -10 -2.205 -15.349 -15.212 1.00 14.28 H new ATOM 0 HE ARG A -10 -1.652 -13.364 -17.273 1.00 14.70 H new ATOM 0 HH11 ARG A -10 -0.612 -14.680 -14.160 1.00 15.68 H new ATOM 0 HH12 ARG A -10 1.050 -14.111 -14.347 1.00 15.68 H new ATOM 0 HH21 ARG A -10 0.471 -12.624 -17.495 1.00 15.82 H new ATOM 0 HH22 ARG A -10 1.661 -12.950 -16.230 1.00 15.82 H new ATOM 44 N GLY A -9 -5.753 -17.829 -13.315 1.00 11.88 N ATOM 45 CA GLY A -9 -6.855 -18.219 -12.466 1.00 11.61 C ATOM 46 C GLY A -9 -6.982 -19.720 -12.333 1.00 11.09 C ATOM 47 O GLY A -9 -7.172 -20.425 -13.326 1.00 10.90 O ATOM 0 H GLY A -9 -4.878 -18.323 -13.139 1.00 11.88 H new ATOM 0 HA2 GLY A -9 -6.720 -17.780 -11.477 1.00 11.61 H new ATOM 0 HA3 GLY A -9 -7.782 -17.814 -12.871 1.00 11.61 H new ATOM 51 N SER A -8 -6.863 -20.208 -11.110 1.00 11.06 N ATOM 52 CA SER A -8 -7.019 -21.623 -10.824 1.00 10.81 C ATOM 53 C SER A -8 -7.289 -21.826 -9.341 1.00 10.32 C ATOM 54 O SER A -8 -6.687 -21.168 -8.492 1.00 10.27 O ATOM 55 CB SER A -8 -5.765 -22.400 -11.239 1.00 11.27 C ATOM 56 OG SER A -8 -5.921 -23.791 -11.004 1.00 11.68 O ATOM 0 H SER A -8 -6.656 -19.637 -10.291 1.00 11.06 H new ATOM 0 HA SER A -8 -7.865 -22.001 -11.398 1.00 10.81 H new ATOM 0 HB2 SER A -8 -5.561 -22.228 -12.296 1.00 11.27 H new ATOM 0 HB3 SER A -8 -4.904 -22.029 -10.683 1.00 11.27 H new ATOM 0 HG SER A -8 -5.107 -24.263 -11.279 1.00 11.68 H new ATOM 62 N HIS A -7 -8.209 -22.730 -9.035 1.00 10.19 N ATOM 63 CA HIS A -7 -8.539 -23.050 -7.654 1.00 9.96 C ATOM 64 C HIS A -7 -7.580 -24.118 -7.141 1.00 9.39 C ATOM 65 O HIS A -7 -7.583 -24.465 -5.962 1.00 9.36 O ATOM 66 CB HIS A -7 -9.993 -23.534 -7.560 1.00 10.47 C ATOM 67 CG HIS A -7 -10.562 -23.525 -6.171 1.00 10.82 C ATOM 68 ND1 HIS A -7 -11.305 -22.479 -5.673 1.00 11.40 N ATOM 69 CD2 HIS A -7 -10.508 -24.448 -5.181 1.00 10.91 C ATOM 70 CE1 HIS A -7 -11.682 -22.754 -4.440 1.00 11.79 C ATOM 71 NE2 HIS A -7 -11.211 -23.943 -4.116 1.00 11.52 N ATOM 0 H HIS A -7 -8.742 -23.256 -9.728 1.00 10.19 H new ATOM 0 HA HIS A -7 -8.437 -22.158 -7.036 1.00 9.96 H new ATOM 0 HB2 HIS A -7 -10.614 -22.905 -8.198 1.00 10.47 H new ATOM 0 HB3 HIS A -7 -10.052 -24.547 -7.957 1.00 10.47 H new ATOM 0 HD2 HIS A -7 -10.005 -25.403 -5.222 1.00 10.91 H new ATOM 0 HE1 HIS A -7 -12.276 -22.115 -3.803 1.00 11.79 H new ATOM 0 HE2 HIS A -7 -11.347 -24.411 -3.220 1.00 11.52 H new ATOM 80 N HIS A -6 -6.749 -24.624 -8.044 1.00 9.18 N ATOM 81 CA HIS A -6 -5.785 -25.660 -7.706 1.00 8.88 C ATOM 82 C HIS A -6 -4.459 -25.028 -7.310 1.00 8.15 C ATOM 83 O HIS A -6 -3.826 -24.338 -8.110 1.00 8.11 O ATOM 84 CB HIS A -6 -5.584 -26.622 -8.879 1.00 9.21 C ATOM 85 CG HIS A -6 -6.812 -27.402 -9.230 1.00 9.81 C ATOM 86 ND1 HIS A -6 -7.024 -28.697 -8.812 1.00 10.31 N ATOM 87 CD2 HIS A -6 -7.901 -27.063 -9.958 1.00 10.25 C ATOM 88 CE1 HIS A -6 -8.188 -29.118 -9.267 1.00 10.98 C ATOM 89 NE2 HIS A -6 -8.739 -28.146 -9.965 1.00 10.96 N ATOM 0 H HIS A -6 -6.725 -24.331 -9.021 1.00 9.18 H new ATOM 0 HA HIS A -6 -6.174 -26.230 -6.862 1.00 8.88 H new ATOM 0 HB2 HIS A -6 -5.262 -26.055 -9.752 1.00 9.21 H new ATOM 0 HB3 HIS A -6 -4.780 -27.316 -8.635 1.00 9.21 H new ATOM 0 HD2 HIS A -6 -8.077 -26.114 -10.443 1.00 10.25 H new ATOM 0 HE1 HIS A -6 -8.617 -30.094 -9.096 1.00 10.98 H new ATOM 0 HE2 HIS A -6 -9.643 -28.193 -10.435 1.00 10.96 H new ATOM 98 N HIS A -5 -4.057 -25.260 -6.072 1.00 7.83 N ATOM 99 CA HIS A -5 -2.840 -24.669 -5.533 1.00 7.37 C ATOM 100 C HIS A -5 -2.154 -25.632 -4.567 1.00 7.17 C ATOM 101 O HIS A -5 -2.281 -25.519 -3.349 1.00 7.21 O ATOM 102 CB HIS A -5 -3.135 -23.314 -4.855 1.00 7.73 C ATOM 103 CG HIS A -5 -4.197 -23.342 -3.788 1.00 8.16 C ATOM 104 ND1 HIS A -5 -4.042 -22.740 -2.559 1.00 8.81 N ATOM 105 CD2 HIS A -5 -5.438 -23.884 -3.778 1.00 8.33 C ATOM 106 CE1 HIS A -5 -5.135 -22.916 -1.842 1.00 9.31 C ATOM 107 NE2 HIS A -5 -5.997 -23.606 -2.558 1.00 9.05 N ATOM 0 H HIS A -5 -4.559 -25.858 -5.415 1.00 7.83 H new ATOM 0 HA HIS A -5 -2.158 -24.481 -6.362 1.00 7.37 H new ATOM 0 HB2 HIS A -5 -2.211 -22.939 -4.414 1.00 7.73 H new ATOM 0 HB3 HIS A -5 -3.434 -22.601 -5.623 1.00 7.73 H new ATOM 0 HD1 HIS A -5 -3.210 -22.236 -2.251 1.00 8.81 H new ATOM 0 HD2 HIS A -5 -5.902 -24.434 -4.583 1.00 8.33 H new ATOM 0 HE1 HIS A -5 -5.295 -22.555 -0.837 1.00 9.31 H new ATOM 116 N HIS A -4 -1.442 -26.598 -5.127 1.00 7.32 N ATOM 117 CA HIS A -4 -0.702 -27.570 -4.335 1.00 7.52 C ATOM 118 C HIS A -4 0.784 -27.248 -4.373 1.00 6.89 C ATOM 119 O HIS A -4 1.170 -26.182 -4.855 1.00 6.96 O ATOM 120 CB HIS A -4 -0.948 -28.993 -4.846 1.00 8.42 C ATOM 121 CG HIS A -4 -2.315 -29.521 -4.539 1.00 9.12 C ATOM 122 ND1 HIS A -4 -2.539 -30.573 -3.677 1.00 9.86 N ATOM 123 CD2 HIS A -4 -3.533 -29.141 -4.985 1.00 9.44 C ATOM 124 CE1 HIS A -4 -3.832 -30.815 -3.608 1.00 10.54 C ATOM 125 NE2 HIS A -4 -4.458 -29.960 -4.391 1.00 10.32 N ATOM 0 H HIS A -4 -1.361 -26.730 -6.135 1.00 7.32 H new ATOM 0 HA HIS A -4 -1.054 -27.513 -3.305 1.00 7.52 H new ATOM 0 HB2 HIS A -4 -0.796 -29.012 -5.925 1.00 8.42 H new ATOM 0 HB3 HIS A -4 -0.205 -29.659 -4.408 1.00 8.42 H new ATOM 0 HD2 HIS A -4 -3.739 -28.341 -5.680 1.00 9.44 H new ATOM 0 HE1 HIS A -4 -4.300 -31.584 -3.011 1.00 10.54 H new ATOM 0 HE2 HIS A -4 -5.467 -29.915 -4.532 1.00 10.32 H new ATOM 134 N HIS A -3 1.609 -28.170 -3.866 1.00 6.56 N ATOM 135 CA HIS A -3 3.067 -27.994 -3.805 1.00 6.26 C ATOM 136 C HIS A -3 3.435 -26.907 -2.794 1.00 5.53 C ATOM 137 O HIS A -3 3.972 -27.196 -1.725 1.00 5.80 O ATOM 138 CB HIS A -3 3.662 -27.661 -5.183 1.00 7.01 C ATOM 139 CG HIS A -3 3.453 -28.727 -6.218 1.00 7.57 C ATOM 140 ND1 HIS A -3 4.381 -29.705 -6.502 1.00 8.09 N ATOM 141 CD2 HIS A -3 2.406 -28.959 -7.046 1.00 8.00 C ATOM 142 CE1 HIS A -3 3.914 -30.489 -7.455 1.00 8.73 C ATOM 143 NE2 HIS A -3 2.719 -30.058 -7.803 1.00 8.69 N ATOM 0 H HIS A -3 1.287 -29.060 -3.486 1.00 6.56 H new ATOM 0 HA HIS A -3 3.495 -28.942 -3.480 1.00 6.26 H new ATOM 0 HB2 HIS A -3 3.221 -26.731 -5.541 1.00 7.01 H new ATOM 0 HB3 HIS A -3 4.732 -27.484 -5.071 1.00 7.01 H new ATOM 0 HD2 HIS A -3 1.493 -28.384 -7.100 1.00 8.00 H new ATOM 0 HE1 HIS A -3 4.425 -31.341 -7.878 1.00 8.73 H new ATOM 0 HE2 HIS A -3 2.124 -30.474 -8.519 1.00 8.69 H new ATOM 152 N HIS A -2 3.137 -25.661 -3.136 1.00 4.92 N ATOM 153 CA HIS A -2 3.346 -24.544 -2.226 1.00 4.50 C ATOM 154 C HIS A -2 2.092 -24.313 -1.398 1.00 3.71 C ATOM 155 O HIS A -2 2.171 -24.004 -0.208 1.00 3.80 O ATOM 156 CB HIS A -2 3.687 -23.260 -2.990 1.00 4.97 C ATOM 157 CG HIS A -2 5.057 -23.235 -3.591 1.00 5.64 C ATOM 158 ND1 HIS A -2 6.122 -22.586 -3.005 1.00 6.23 N ATOM 159 CD2 HIS A -2 5.529 -23.750 -4.748 1.00 6.23 C ATOM 160 CE1 HIS A -2 7.184 -22.701 -3.778 1.00 7.04 C ATOM 161 NE2 HIS A -2 6.852 -23.403 -4.843 1.00 7.06 N ATOM 0 H HIS A -2 2.748 -25.398 -4.041 1.00 4.92 H new ATOM 0 HA HIS A -2 4.184 -24.794 -1.575 1.00 4.50 H new ATOM 0 HB2 HIS A -2 2.954 -23.121 -3.785 1.00 4.97 H new ATOM 0 HB3 HIS A -2 3.587 -22.413 -2.312 1.00 4.97 H new ATOM 0 HD2 HIS A -2 4.967 -24.329 -5.466 1.00 6.23 H new ATOM 0 HE1 HIS A -2 8.161 -22.289 -3.573 1.00 7.04 H new ATOM 0 HE2 HIS A -2 7.477 -23.648 -5.611 1.00 7.06 H new ATOM 170 N GLY A -1 0.937 -24.488 -2.028 1.00 3.50 N ATOM 171 CA GLY A -1 -0.314 -24.182 -1.374 1.00 3.30 C ATOM 172 C GLY A -1 -0.436 -22.707 -1.119 1.00 2.92 C ATOM 173 O GLY A -1 -0.546 -22.271 0.031 1.00 3.15 O ATOM 0 H GLY A -1 0.848 -24.837 -2.982 1.00 3.50 H new ATOM 0 HA2 GLY A -1 -1.145 -24.518 -1.994 1.00 3.30 H new ATOM 0 HA3 GLY A -1 -0.379 -24.725 -0.431 1.00 3.30 H new ATOM 177 N SER A 0 -0.390 -21.953 -2.212 1.00 2.55 N ATOM 178 CA SER A 0 -0.398 -20.500 -2.188 1.00 2.25 C ATOM 179 C SER A 0 0.940 -19.973 -1.676 1.00 1.76 C ATOM 180 O SER A 0 1.624 -20.637 -0.896 1.00 1.80 O ATOM 181 CB SER A 0 -1.537 -19.957 -1.315 1.00 2.52 C ATOM 182 OG SER A 0 -2.767 -20.588 -1.619 1.00 3.11 O ATOM 0 H SER A 0 -0.345 -22.343 -3.153 1.00 2.55 H new ATOM 0 HA SER A 0 -0.559 -20.154 -3.209 1.00 2.25 H new ATOM 0 HB2 SER A 0 -1.297 -20.112 -0.263 1.00 2.52 H new ATOM 0 HB3 SER A 0 -1.631 -18.881 -1.465 1.00 2.52 H new ATOM 0 HG SER A 0 -3.262 -20.757 -0.790 1.00 3.11 H new ATOM 188 N LYS A 1 1.328 -18.795 -2.131 1.00 1.47 N ATOM 189 CA LYS A 1 2.501 -18.142 -1.585 1.00 1.17 C ATOM 190 C LYS A 1 2.108 -17.437 -0.301 1.00 1.02 C ATOM 191 O LYS A 1 1.643 -16.302 -0.334 1.00 1.17 O ATOM 192 CB LYS A 1 3.085 -17.135 -2.578 1.00 1.31 C ATOM 193 CG LYS A 1 3.484 -17.748 -3.909 1.00 1.65 C ATOM 194 CD LYS A 1 4.067 -16.706 -4.856 1.00 2.03 C ATOM 195 CE LYS A 1 5.307 -16.044 -4.275 1.00 2.38 C ATOM 196 NZ LYS A 1 6.372 -17.032 -3.958 1.00 2.99 N ATOM 0 H LYS A 1 0.853 -18.276 -2.870 1.00 1.47 H new ATOM 0 HA LYS A 1 3.267 -18.892 -1.385 1.00 1.17 H new ATOM 0 HB2 LYS A 1 2.352 -16.348 -2.756 1.00 1.31 H new ATOM 0 HB3 LYS A 1 3.959 -16.662 -2.130 1.00 1.31 H new ATOM 0 HG2 LYS A 1 4.216 -18.538 -3.741 1.00 1.65 H new ATOM 0 HG3 LYS A 1 2.613 -18.213 -4.371 1.00 1.65 H new ATOM 0 HD2 LYS A 1 4.319 -17.178 -5.806 1.00 2.03 H new ATOM 0 HD3 LYS A 1 3.315 -15.946 -5.067 1.00 2.03 H new ATOM 0 HE2 LYS A 1 5.692 -15.311 -4.984 1.00 2.38 H new ATOM 0 HE3 LYS A 1 5.037 -15.500 -3.370 1.00 2.38 H new ATOM 0 HZ1 LYS A 1 7.258 -16.531 -3.743 1.00 2.99 H new ATOM 0 HZ2 LYS A 1 6.086 -17.599 -3.134 1.00 2.99 H new ATOM 0 HZ3 LYS A 1 6.519 -17.659 -4.775 1.00 2.99 H new ATOM 210 N THR A 2 2.280 -18.114 0.825 1.00 0.86 N ATOM 211 CA THR A 2 1.793 -17.603 2.093 1.00 0.81 C ATOM 212 C THR A 2 2.437 -16.259 2.402 1.00 0.66 C ATOM 213 O THR A 2 3.659 -16.107 2.309 1.00 0.64 O ATOM 214 CB THR A 2 2.076 -18.578 3.246 1.00 0.86 C ATOM 215 OG1 THR A 2 1.812 -19.924 2.824 1.00 0.99 O ATOM 216 CG2 THR A 2 1.206 -18.250 4.452 1.00 0.92 C ATOM 0 H THR A 2 2.752 -19.016 0.884 1.00 0.86 H new ATOM 0 HA THR A 2 0.713 -17.484 2.002 1.00 0.81 H new ATOM 0 HB THR A 2 3.124 -18.480 3.528 1.00 0.86 H new ATOM 0 HG1 THR A 2 1.996 -20.541 3.563 1.00 0.99 H new ATOM 0 HG21 THR A 2 1.421 -18.952 5.258 1.00 0.92 H new ATOM 0 HG22 THR A 2 1.418 -17.235 4.788 1.00 0.92 H new ATOM 0 HG23 THR A 2 0.155 -18.328 4.174 1.00 0.92 H new ATOM 224 N LEU A 3 1.602 -15.290 2.745 1.00 0.59 N ATOM 225 CA LEU A 3 2.055 -13.931 3.003 1.00 0.50 C ATOM 226 C LEU A 3 3.078 -13.908 4.127 1.00 0.49 C ATOM 227 O LEU A 3 2.793 -14.350 5.241 1.00 0.53 O ATOM 228 CB LEU A 3 0.880 -13.027 3.376 1.00 0.49 C ATOM 229 CG LEU A 3 0.694 -11.778 2.506 1.00 0.35 C ATOM 230 CD1 LEU A 3 -0.137 -10.752 3.241 1.00 0.51 C ATOM 231 CD2 LEU A 3 2.027 -11.171 2.112 1.00 0.49 C ATOM 0 H LEU A 3 0.596 -15.422 2.852 1.00 0.59 H new ATOM 0 HA LEU A 3 2.517 -13.560 2.088 1.00 0.50 H new ATOM 0 HB2 LEU A 3 -0.036 -13.617 3.332 1.00 0.49 H new ATOM 0 HB3 LEU A 3 1.005 -12.710 4.411 1.00 0.49 H new ATOM 0 HG LEU A 3 0.178 -12.082 1.595 1.00 0.35 H new ATOM 0 HD11 LEU A 3 -0.263 -9.869 2.614 1.00 0.51 H new ATOM 0 HD12 LEU A 3 -1.115 -11.174 3.473 1.00 0.51 H new ATOM 0 HD13 LEU A 3 0.366 -10.471 4.166 1.00 0.51 H new ATOM 0 HD21 LEU A 3 1.857 -10.288 1.496 1.00 0.49 H new ATOM 0 HD22 LEU A 3 2.577 -10.887 3.009 1.00 0.49 H new ATOM 0 HD23 LEU A 3 2.607 -11.901 1.547 1.00 0.49 H new ATOM 243 N PRO A 4 4.291 -13.419 3.832 1.00 0.50 N ATOM 244 CA PRO A 4 5.326 -13.208 4.842 1.00 0.54 C ATOM 245 C PRO A 4 4.806 -12.392 6.018 1.00 0.47 C ATOM 246 O PRO A 4 4.351 -11.258 5.846 1.00 0.42 O ATOM 247 CB PRO A 4 6.408 -12.436 4.088 1.00 0.60 C ATOM 248 CG PRO A 4 6.231 -12.834 2.666 1.00 0.61 C ATOM 249 CD PRO A 4 4.756 -13.055 2.482 1.00 0.52 C ATOM 0 HA PRO A 4 5.683 -14.144 5.272 1.00 0.54 H new ATOM 0 HB2 PRO A 4 6.289 -11.360 4.216 1.00 0.60 H new ATOM 0 HB3 PRO A 4 7.403 -12.692 4.450 1.00 0.60 H new ATOM 0 HG2 PRO A 4 6.597 -12.057 1.994 1.00 0.61 H new ATOM 0 HG3 PRO A 4 6.793 -13.740 2.441 1.00 0.61 H new ATOM 0 HD2 PRO A 4 4.259 -12.157 2.115 1.00 0.52 H new ATOM 0 HD3 PRO A 4 4.556 -13.848 1.761 1.00 0.52 H new ATOM 257 N ASP A 5 4.858 -12.995 7.201 1.00 0.51 N ATOM 258 CA ASP A 5 4.390 -12.369 8.437 1.00 0.51 C ATOM 259 C ASP A 5 4.996 -10.983 8.640 1.00 0.45 C ATOM 260 O ASP A 5 4.397 -10.121 9.286 1.00 0.44 O ATOM 261 CB ASP A 5 4.720 -13.265 9.632 1.00 0.63 C ATOM 262 CG ASP A 5 4.335 -12.642 10.960 1.00 1.50 C ATOM 263 OD1 ASP A 5 3.130 -12.607 11.274 1.00 2.09 O ATOM 264 OD2 ASP A 5 5.235 -12.185 11.696 1.00 2.19 O ATOM 0 H ASP A 5 5.228 -13.937 7.332 1.00 0.51 H new ATOM 0 HA ASP A 5 3.310 -12.247 8.357 1.00 0.51 H new ATOM 0 HB2 ASP A 5 4.202 -14.218 9.519 1.00 0.63 H new ATOM 0 HB3 ASP A 5 5.788 -13.481 9.634 1.00 0.63 H new ATOM 269 N LYS A 6 6.183 -10.771 8.083 1.00 0.45 N ATOM 270 CA LYS A 6 6.841 -9.472 8.143 1.00 0.45 C ATOM 271 C LYS A 6 5.968 -8.359 7.562 1.00 0.38 C ATOM 272 O LYS A 6 6.038 -7.219 8.015 1.00 0.42 O ATOM 273 CB LYS A 6 8.179 -9.513 7.401 1.00 0.56 C ATOM 274 CG LYS A 6 9.241 -10.373 8.069 1.00 1.10 C ATOM 275 CD LYS A 6 9.581 -9.864 9.461 1.00 1.64 C ATOM 276 CE LYS A 6 10.872 -10.479 9.979 1.00 2.01 C ATOM 277 NZ LYS A 6 10.807 -11.961 10.037 1.00 2.53 N ATOM 0 H LYS A 6 6.711 -11.486 7.583 1.00 0.45 H new ATOM 0 HA LYS A 6 7.013 -9.251 9.196 1.00 0.45 H new ATOM 0 HB2 LYS A 6 8.009 -9.886 6.391 1.00 0.56 H new ATOM 0 HB3 LYS A 6 8.559 -8.496 7.306 1.00 0.56 H new ATOM 0 HG2 LYS A 6 8.888 -11.402 8.134 1.00 1.10 H new ATOM 0 HG3 LYS A 6 10.141 -10.383 7.455 1.00 1.10 H new ATOM 0 HD2 LYS A 6 9.677 -8.778 9.439 1.00 1.64 H new ATOM 0 HD3 LYS A 6 8.765 -10.098 10.145 1.00 1.64 H new ATOM 0 HE2 LYS A 6 11.699 -10.179 9.335 1.00 2.01 H new ATOM 0 HE3 LYS A 6 11.085 -10.088 10.974 1.00 2.01 H new ATOM 0 HZ1 LYS A 6 11.652 -12.327 10.520 1.00 2.53 H new ATOM 0 HZ2 LYS A 6 9.956 -12.251 10.560 1.00 2.53 H new ATOM 0 HZ3 LYS A 6 10.767 -12.345 9.071 1.00 2.53 H new ATOM 291 N PHE A 7 5.126 -8.680 6.580 1.00 0.36 N ATOM 292 CA PHE A 7 4.301 -7.661 5.942 1.00 0.35 C ATOM 293 C PHE A 7 3.028 -7.420 6.739 1.00 0.32 C ATOM 294 O PHE A 7 2.303 -6.468 6.477 1.00 0.35 O ATOM 295 CB PHE A 7 3.920 -8.067 4.512 1.00 0.39 C ATOM 296 CG PHE A 7 5.080 -8.177 3.562 1.00 0.42 C ATOM 297 CD1 PHE A 7 6.085 -7.226 3.557 1.00 0.52 C ATOM 298 CD2 PHE A 7 5.158 -9.231 2.662 1.00 0.48 C ATOM 299 CE1 PHE A 7 7.145 -7.324 2.680 1.00 0.60 C ATOM 300 CE2 PHE A 7 6.217 -9.332 1.785 1.00 0.54 C ATOM 301 CZ PHE A 7 7.212 -8.380 1.794 1.00 0.57 C ATOM 0 H PHE A 7 5.000 -9.624 6.215 1.00 0.36 H new ATOM 0 HA PHE A 7 4.892 -6.746 5.908 1.00 0.35 H new ATOM 0 HB2 PHE A 7 3.403 -9.026 4.546 1.00 0.39 H new ATOM 0 HB3 PHE A 7 3.212 -7.338 4.118 1.00 0.39 H new ATOM 0 HD1 PHE A 7 6.039 -6.397 4.248 1.00 0.52 H new ATOM 0 HD2 PHE A 7 4.380 -9.980 2.649 1.00 0.48 H new ATOM 0 HE1 PHE A 7 7.922 -6.574 2.687 1.00 0.60 H new ATOM 0 HE2 PHE A 7 6.266 -10.158 1.091 1.00 0.54 H new ATOM 0 HZ PHE A 7 8.043 -8.460 1.109 1.00 0.57 H new ATOM 311 N LEU A 8 2.778 -8.260 7.734 1.00 0.30 N ATOM 312 CA LEU A 8 1.502 -8.253 8.425 1.00 0.29 C ATOM 313 C LEU A 8 1.549 -7.357 9.655 1.00 0.29 C ATOM 314 O LEU A 8 2.494 -7.411 10.448 1.00 0.33 O ATOM 315 CB LEU A 8 1.112 -9.679 8.811 1.00 0.34 C ATOM 316 CG LEU A 8 0.943 -10.638 7.632 1.00 0.37 C ATOM 317 CD1 LEU A 8 0.667 -12.049 8.120 1.00 0.46 C ATOM 318 CD2 LEU A 8 -0.179 -10.165 6.724 1.00 0.35 C ATOM 0 H LEU A 8 3.443 -8.953 8.078 1.00 0.30 H new ATOM 0 HA LEU A 8 0.746 -7.850 7.751 1.00 0.29 H new ATOM 0 HB2 LEU A 8 1.872 -10.080 9.481 1.00 0.34 H new ATOM 0 HB3 LEU A 8 0.178 -9.646 9.372 1.00 0.34 H new ATOM 0 HG LEU A 8 1.873 -10.649 7.064 1.00 0.37 H new ATOM 0 HD11 LEU A 8 0.550 -12.714 7.264 1.00 0.46 H new ATOM 0 HD12 LEU A 8 1.500 -12.391 8.734 1.00 0.46 H new ATOM 0 HD13 LEU A 8 -0.248 -12.057 8.713 1.00 0.46 H new ATOM 0 HD21 LEU A 8 -0.288 -10.857 5.889 1.00 0.35 H new ATOM 0 HD22 LEU A 8 -1.111 -10.127 7.287 1.00 0.35 H new ATOM 0 HD23 LEU A 8 0.056 -9.171 6.343 1.00 0.35 H new ATOM 330 N GLY A 9 0.521 -6.539 9.799 1.00 0.32 N ATOM 331 CA GLY A 9 0.436 -5.620 10.912 1.00 0.33 C ATOM 332 C GLY A 9 -0.307 -4.352 10.545 1.00 0.31 C ATOM 333 O GLY A 9 -0.688 -4.161 9.389 1.00 0.52 O ATOM 0 H GLY A 9 -0.268 -6.495 9.154 1.00 0.32 H new ATOM 0 HA2 GLY A 9 -0.068 -6.107 11.747 1.00 0.33 H new ATOM 0 HA3 GLY A 9 1.441 -5.367 11.251 1.00 0.33 H new ATOM 337 N THR A 10 -0.523 -3.494 11.528 1.00 0.34 N ATOM 338 CA THR A 10 -1.170 -2.220 11.307 1.00 0.35 C ATOM 339 C THR A 10 -0.154 -1.099 11.512 1.00 0.32 C ATOM 340 O THR A 10 0.360 -0.915 12.614 1.00 0.40 O ATOM 341 CB THR A 10 -2.351 -2.046 12.273 1.00 0.38 C ATOM 342 OG1 THR A 10 -3.091 -3.275 12.358 1.00 1.05 O ATOM 343 CG2 THR A 10 -3.271 -0.940 11.797 1.00 0.99 C ATOM 0 H THR A 10 -0.254 -3.664 12.497 1.00 0.34 H new ATOM 0 HA THR A 10 -1.553 -2.183 10.287 1.00 0.35 H new ATOM 0 HB THR A 10 -1.959 -1.781 13.255 1.00 0.38 H new ATOM 0 HG1 THR A 10 -3.843 -3.162 12.976 1.00 1.05 H new ATOM 0 HG21 THR A 10 -4.102 -0.832 12.495 1.00 0.99 H new ATOM 0 HG22 THR A 10 -2.717 -0.003 11.745 1.00 0.99 H new ATOM 0 HG23 THR A 10 -3.657 -1.188 10.809 1.00 0.99 H new ATOM 351 N PHE A 11 0.144 -0.365 10.451 1.00 0.27 N ATOM 352 CA PHE A 11 1.258 0.573 10.464 1.00 0.27 C ATOM 353 C PHE A 11 0.812 2.029 10.317 1.00 0.28 C ATOM 354 O PHE A 11 0.013 2.360 9.434 1.00 0.32 O ATOM 355 CB PHE A 11 2.235 0.230 9.332 1.00 0.31 C ATOM 356 CG PHE A 11 2.711 -1.198 9.340 1.00 0.33 C ATOM 357 CD1 PHE A 11 3.621 -1.632 10.289 1.00 0.42 C ATOM 358 CD2 PHE A 11 2.252 -2.102 8.394 1.00 0.38 C ATOM 359 CE1 PHE A 11 4.063 -2.941 10.296 1.00 0.47 C ATOM 360 CE2 PHE A 11 2.691 -3.412 8.398 1.00 0.43 C ATOM 361 CZ PHE A 11 3.597 -3.832 9.349 1.00 0.44 C ATOM 0 H PHE A 11 -0.369 -0.400 9.570 1.00 0.27 H new ATOM 0 HA PHE A 11 1.742 0.476 11.436 1.00 0.27 H new ATOM 0 HB2 PHE A 11 1.753 0.435 8.376 1.00 0.31 H new ATOM 0 HB3 PHE A 11 3.100 0.890 9.401 1.00 0.31 H new ATOM 0 HD1 PHE A 11 3.989 -0.940 11.032 1.00 0.42 H new ATOM 0 HD2 PHE A 11 1.544 -1.778 7.646 1.00 0.38 H new ATOM 0 HE1 PHE A 11 4.773 -3.267 11.042 1.00 0.47 H new ATOM 0 HE2 PHE A 11 2.325 -4.107 7.657 1.00 0.43 H new ATOM 0 HZ PHE A 11 3.942 -4.856 9.353 1.00 0.44 H new ATOM 371 N LYS A 12 1.328 2.889 11.200 1.00 0.29 N ATOM 372 CA LYS A 12 1.225 4.336 11.039 1.00 0.33 C ATOM 373 C LYS A 12 2.312 4.859 10.098 1.00 0.27 C ATOM 374 O LYS A 12 3.495 4.552 10.270 1.00 0.69 O ATOM 375 CB LYS A 12 1.384 5.023 12.397 1.00 0.48 C ATOM 376 CG LYS A 12 0.086 5.243 13.136 1.00 0.78 C ATOM 377 CD LYS A 12 -0.745 6.319 12.465 1.00 1.28 C ATOM 378 CE LYS A 12 -2.059 6.528 13.183 1.00 1.72 C ATOM 379 NZ LYS A 12 -1.865 6.905 14.608 1.00 2.19 N ATOM 0 H LYS A 12 1.826 2.600 12.042 1.00 0.29 H new ATOM 0 HA LYS A 12 0.246 4.558 10.615 1.00 0.33 H new ATOM 0 HB2 LYS A 12 2.046 4.422 13.020 1.00 0.48 H new ATOM 0 HB3 LYS A 12 1.873 5.986 12.249 1.00 0.48 H new ATOM 0 HG2 LYS A 12 -0.479 4.311 13.172 1.00 0.78 H new ATOM 0 HG3 LYS A 12 0.294 5.529 14.167 1.00 0.78 H new ATOM 0 HD2 LYS A 12 -0.186 7.254 12.447 1.00 1.28 H new ATOM 0 HD3 LYS A 12 -0.935 6.041 11.428 1.00 1.28 H new ATOM 0 HE2 LYS A 12 -2.628 7.308 12.677 1.00 1.72 H new ATOM 0 HE3 LYS A 12 -2.651 5.614 13.128 1.00 1.72 H new ATOM 0 HZ1 LYS A 12 -2.760 7.266 14.996 1.00 2.19 H new ATOM 0 HZ2 LYS A 12 -1.564 6.070 15.150 1.00 2.19 H new ATOM 0 HZ3 LYS A 12 -1.135 7.643 14.676 1.00 2.19 H new ATOM 393 N LEU A 13 1.901 5.623 9.089 1.00 0.60 N ATOM 394 CA LEU A 13 2.844 6.335 8.228 1.00 0.50 C ATOM 395 C LEU A 13 3.759 7.217 9.072 1.00 0.46 C ATOM 396 O LEU A 13 3.286 8.087 9.805 1.00 0.52 O ATOM 397 CB LEU A 13 2.071 7.191 7.213 1.00 0.52 C ATOM 398 CG LEU A 13 2.857 7.674 5.981 1.00 0.55 C ATOM 399 CD1 LEU A 13 1.905 8.256 4.955 1.00 1.14 C ATOM 400 CD2 LEU A 13 3.903 8.715 6.345 1.00 1.04 C ATOM 0 H LEU A 13 0.921 5.766 8.847 1.00 0.60 H new ATOM 0 HA LEU A 13 3.456 5.611 7.690 1.00 0.50 H new ATOM 0 HB2 LEU A 13 1.212 6.616 6.866 1.00 0.52 H new ATOM 0 HB3 LEU A 13 1.680 8.066 7.732 1.00 0.52 H new ATOM 0 HG LEU A 13 3.373 6.809 5.565 1.00 0.55 H new ATOM 0 HD11 LEU A 13 2.469 8.595 4.086 1.00 1.14 H new ATOM 0 HD12 LEU A 13 1.190 7.493 4.648 1.00 1.14 H new ATOM 0 HD13 LEU A 13 1.370 9.099 5.392 1.00 1.14 H new ATOM 0 HD21 LEU A 13 4.434 9.028 5.446 1.00 1.04 H new ATOM 0 HD22 LEU A 13 3.415 9.579 6.797 1.00 1.04 H new ATOM 0 HD23 LEU A 13 4.612 8.286 7.054 1.00 1.04 H new ATOM 412 N GLU A 14 5.064 6.991 8.970 1.00 0.45 N ATOM 413 CA GLU A 14 6.031 7.773 9.718 1.00 0.48 C ATOM 414 C GLU A 14 6.531 8.956 8.887 1.00 0.45 C ATOM 415 O GLU A 14 6.445 10.105 9.317 1.00 0.49 O ATOM 416 CB GLU A 14 7.210 6.885 10.135 1.00 0.55 C ATOM 417 CG GLU A 14 8.204 7.563 11.064 1.00 0.67 C ATOM 418 CD GLU A 14 7.614 7.884 12.424 1.00 1.17 C ATOM 419 OE1 GLU A 14 6.817 8.840 12.524 1.00 2.08 O ATOM 420 OE2 GLU A 14 7.954 7.188 13.404 1.00 1.56 O ATOM 0 H GLU A 14 5.473 6.271 8.375 1.00 0.45 H new ATOM 0 HA GLU A 14 5.544 8.164 10.611 1.00 0.48 H new ATOM 0 HB2 GLU A 14 6.822 5.992 10.626 1.00 0.55 H new ATOM 0 HB3 GLU A 14 7.735 6.554 9.239 1.00 0.55 H new ATOM 0 HG2 GLU A 14 9.072 6.917 11.193 1.00 0.67 H new ATOM 0 HG3 GLU A 14 8.558 8.484 10.600 1.00 0.67 H new ATOM 427 N ARG A 15 7.039 8.675 7.688 1.00 0.42 N ATOM 428 CA ARG A 15 7.639 9.717 6.861 1.00 0.44 C ATOM 429 C ARG A 15 7.679 9.310 5.390 1.00 0.37 C ATOM 430 O ARG A 15 7.280 8.200 5.029 1.00 0.38 O ATOM 431 CB ARG A 15 9.061 9.983 7.335 1.00 0.51 C ATOM 432 CG ARG A 15 9.953 8.767 7.195 1.00 0.53 C ATOM 433 CD ARG A 15 11.344 9.025 7.735 1.00 0.77 C ATOM 434 NE ARG A 15 11.322 9.460 9.132 1.00 1.68 N ATOM 435 CZ ARG A 15 12.318 9.267 9.993 1.00 2.34 C ATOM 436 NH1 ARG A 15 13.397 8.583 9.626 1.00 2.45 N ATOM 437 NH2 ARG A 15 12.225 9.744 11.228 1.00 3.36 N ATOM 0 H ARG A 15 7.047 7.744 7.272 1.00 0.42 H new ATOM 0 HA ARG A 15 7.028 10.614 6.956 1.00 0.44 H new ATOM 0 HB2 ARG A 15 9.484 10.808 6.762 1.00 0.51 H new ATOM 0 HB3 ARG A 15 9.041 10.297 8.379 1.00 0.51 H new ATOM 0 HG2 ARG A 15 9.507 7.926 7.726 1.00 0.53 H new ATOM 0 HG3 ARG A 15 10.018 8.483 6.145 1.00 0.53 H new ATOM 0 HD2 ARG A 15 11.940 8.116 7.648 1.00 0.77 H new ATOM 0 HD3 ARG A 15 11.833 9.786 7.127 1.00 0.77 H new ATOM 0 HE ARG A 15 10.489 9.943 9.468 1.00 1.68 H new ATOM 0 HH11 ARG A 15 13.464 8.204 8.681 1.00 2.45 H new ATOM 0 HH12 ARG A 15 14.158 8.437 10.289 1.00 2.45 H new ATOM 0 HH21 ARG A 15 11.392 10.257 11.515 1.00 3.36 H new ATOM 0 HH22 ARG A 15 12.987 9.597 11.890 1.00 3.36 H new ATOM 451 N ASP A 16 8.189 10.211 4.556 1.00 0.38 N ATOM 452 CA ASP A 16 8.339 9.956 3.130 1.00 0.43 C ATOM 453 C ASP A 16 9.593 10.646 2.604 1.00 0.39 C ATOM 454 O ASP A 16 10.063 11.626 3.183 1.00 0.52 O ATOM 455 CB ASP A 16 7.112 10.448 2.363 1.00 0.66 C ATOM 456 CG ASP A 16 7.000 11.961 2.312 1.00 0.68 C ATOM 457 OD1 ASP A 16 6.428 12.550 3.256 1.00 1.19 O ATOM 458 OD2 ASP A 16 7.468 12.567 1.321 1.00 0.72 O ATOM 0 H ASP A 16 8.508 11.134 4.849 1.00 0.38 H new ATOM 0 HA ASP A 16 8.434 8.881 2.980 1.00 0.43 H new ATOM 0 HB2 ASP A 16 7.149 10.059 1.345 1.00 0.66 H new ATOM 0 HB3 ASP A 16 6.214 10.040 2.828 1.00 0.66 H new ATOM 463 N GLU A 17 10.134 10.115 1.515 1.00 0.36 N ATOM 464 CA GLU A 17 11.390 10.605 0.960 1.00 0.38 C ATOM 465 C GLU A 17 11.179 11.625 -0.160 1.00 0.40 C ATOM 466 O GLU A 17 11.756 12.713 -0.128 1.00 0.83 O ATOM 467 CB GLU A 17 12.229 9.426 0.458 1.00 0.48 C ATOM 468 CG GLU A 17 12.800 8.574 1.581 1.00 1.18 C ATOM 469 CD GLU A 17 13.763 9.344 2.459 1.00 1.83 C ATOM 470 OE1 GLU A 17 13.298 10.094 3.342 1.00 2.66 O ATOM 471 OE2 GLU A 17 14.989 9.200 2.279 1.00 2.13 O ATOM 0 H GLU A 17 9.720 9.341 0.996 1.00 0.36 H new ATOM 0 HA GLU A 17 11.921 11.121 1.759 1.00 0.38 H new ATOM 0 HB2 GLU A 17 11.613 8.799 -0.187 1.00 0.48 H new ATOM 0 HB3 GLU A 17 13.048 9.806 -0.153 1.00 0.48 H new ATOM 0 HG2 GLU A 17 11.984 8.190 2.192 1.00 1.18 H new ATOM 0 HG3 GLU A 17 13.312 7.712 1.154 1.00 1.18 H new ATOM 478 N ASN A 18 10.366 11.283 -1.151 1.00 0.34 N ATOM 479 CA ASN A 18 10.160 12.160 -2.304 1.00 0.30 C ATOM 480 C ASN A 18 8.730 12.028 -2.829 1.00 0.28 C ATOM 481 O ASN A 18 8.488 11.809 -4.023 1.00 0.27 O ATOM 482 CB ASN A 18 11.174 11.822 -3.403 1.00 0.32 C ATOM 483 CG ASN A 18 11.168 12.837 -4.526 1.00 0.42 C ATOM 484 OD1 ASN A 18 10.844 14.003 -4.315 1.00 0.76 O ATOM 485 ND2 ASN A 18 11.531 12.405 -5.720 1.00 0.66 N ATOM 0 H ASN A 18 9.839 10.410 -1.183 1.00 0.34 H new ATOM 0 HA ASN A 18 10.312 13.194 -1.993 1.00 0.30 H new ATOM 0 HB2 ASN A 18 12.172 11.771 -2.969 1.00 0.32 H new ATOM 0 HB3 ASN A 18 10.951 10.835 -3.808 1.00 0.32 H new ATOM 0 HD21 ASN A 18 11.550 13.049 -6.511 1.00 0.66 H new ATOM 0 HD22 ASN A 18 11.793 11.428 -5.851 1.00 0.66 H new ATOM 492 N PHE A 19 7.781 12.185 -1.924 1.00 0.30 N ATOM 493 CA PHE A 19 6.388 11.933 -2.247 1.00 0.31 C ATOM 494 C PHE A 19 5.796 13.087 -3.042 1.00 0.31 C ATOM 495 O PHE A 19 4.976 12.876 -3.935 1.00 0.32 O ATOM 496 CB PHE A 19 5.576 11.680 -0.979 1.00 0.37 C ATOM 497 CG PHE A 19 4.241 11.060 -1.247 1.00 0.36 C ATOM 498 CD1 PHE A 19 4.129 9.923 -2.027 1.00 0.45 C ATOM 499 CD2 PHE A 19 3.093 11.619 -0.714 1.00 0.45 C ATOM 500 CE1 PHE A 19 2.893 9.358 -2.271 1.00 0.49 C ATOM 501 CE2 PHE A 19 1.859 11.057 -0.954 1.00 0.48 C ATOM 502 CZ PHE A 19 1.777 9.895 -1.755 1.00 0.44 C ATOM 0 H PHE A 19 7.948 12.485 -0.963 1.00 0.30 H new ATOM 0 HA PHE A 19 6.343 11.037 -2.867 1.00 0.31 H new ATOM 0 HB2 PHE A 19 6.145 11.029 -0.315 1.00 0.37 H new ATOM 0 HB3 PHE A 19 5.432 12.624 -0.453 1.00 0.37 H new ATOM 0 HD1 PHE A 19 5.016 9.473 -2.449 1.00 0.45 H new ATOM 0 HD2 PHE A 19 3.166 12.506 -0.103 1.00 0.45 H new ATOM 0 HE1 PHE A 19 2.824 8.472 -2.885 1.00 0.49 H new ATOM 0 HE2 PHE A 19 0.966 11.498 -0.536 1.00 0.48 H new ATOM 0 HZ PHE A 19 0.817 9.440 -1.951 1.00 0.44 H new ATOM 512 N ASP A 20 6.213 14.305 -2.719 1.00 0.33 N ATOM 513 CA ASP A 20 5.745 15.490 -3.428 1.00 0.37 C ATOM 514 C ASP A 20 6.030 15.395 -4.925 1.00 0.33 C ATOM 515 O ASP A 20 5.112 15.482 -5.743 1.00 0.33 O ATOM 516 CB ASP A 20 6.402 16.742 -2.849 1.00 0.46 C ATOM 517 CG ASP A 20 5.873 18.013 -3.476 1.00 1.08 C ATOM 518 OD1 ASP A 20 6.442 18.463 -4.491 1.00 1.22 O ATOM 519 OD2 ASP A 20 4.888 18.571 -2.952 1.00 2.04 O ATOM 0 H ASP A 20 6.876 14.499 -1.969 1.00 0.33 H new ATOM 0 HA ASP A 20 4.665 15.554 -3.295 1.00 0.37 H new ATOM 0 HB2 ASP A 20 6.233 16.773 -1.773 1.00 0.46 H new ATOM 0 HB3 ASP A 20 7.480 16.687 -3.001 1.00 0.46 H new ATOM 524 N GLU A 21 7.301 15.219 -5.284 1.00 0.34 N ATOM 525 CA GLU A 21 7.682 15.082 -6.688 1.00 0.35 C ATOM 526 C GLU A 21 6.984 13.896 -7.336 1.00 0.31 C ATOM 527 O GLU A 21 6.611 13.964 -8.510 1.00 0.34 O ATOM 528 CB GLU A 21 9.192 14.943 -6.855 1.00 0.41 C ATOM 529 CG GLU A 21 9.953 16.218 -6.565 1.00 0.51 C ATOM 530 CD GLU A 21 11.392 16.153 -7.029 1.00 1.14 C ATOM 531 OE1 GLU A 21 11.670 16.496 -8.197 1.00 1.65 O ATOM 532 OE2 GLU A 21 12.259 15.766 -6.217 1.00 1.79 O ATOM 0 H GLU A 21 8.079 15.168 -4.627 1.00 0.34 H new ATOM 0 HA GLU A 21 7.364 15.997 -7.189 1.00 0.35 H new ATOM 0 HB2 GLU A 21 9.552 14.156 -6.192 1.00 0.41 H new ATOM 0 HB3 GLU A 21 9.409 14.624 -7.875 1.00 0.41 H new ATOM 0 HG2 GLU A 21 9.454 17.054 -7.055 1.00 0.51 H new ATOM 0 HG3 GLU A 21 9.929 16.416 -5.493 1.00 0.51 H new ATOM 539 N TYR A 22 6.811 12.814 -6.581 1.00 0.29 N ATOM 540 CA TYR A 22 6.065 11.664 -7.075 1.00 0.28 C ATOM 541 C TYR A 22 4.667 12.088 -7.507 1.00 0.30 C ATOM 542 O TYR A 22 4.166 11.650 -8.539 1.00 0.33 O ATOM 543 CB TYR A 22 5.969 10.576 -6.004 1.00 0.30 C ATOM 544 CG TYR A 22 5.213 9.346 -6.457 1.00 0.34 C ATOM 545 CD1 TYR A 22 3.860 9.207 -6.183 1.00 0.41 C ATOM 546 CD2 TYR A 22 5.849 8.327 -7.155 1.00 0.38 C ATOM 547 CE1 TYR A 22 3.164 8.088 -6.590 1.00 0.48 C ATOM 548 CE2 TYR A 22 5.157 7.202 -7.563 1.00 0.44 C ATOM 549 CZ TYR A 22 3.831 7.087 -7.302 1.00 0.50 C ATOM 550 OH TYR A 22 3.113 5.980 -7.689 1.00 0.57 O ATOM 0 H TYR A 22 7.174 12.711 -5.633 1.00 0.29 H new ATOM 0 HA TYR A 22 6.598 11.258 -7.935 1.00 0.28 H new ATOM 0 HB2 TYR A 22 6.975 10.284 -5.703 1.00 0.30 H new ATOM 0 HB3 TYR A 22 5.480 10.989 -5.122 1.00 0.30 H new ATOM 0 HD1 TYR A 22 3.344 9.987 -5.643 1.00 0.41 H new ATOM 0 HD2 TYR A 22 6.901 8.415 -7.383 1.00 0.38 H new ATOM 0 HE1 TYR A 22 2.114 7.986 -6.361 1.00 0.48 H new ATOM 0 HE2 TYR A 22 5.673 6.413 -8.090 1.00 0.44 H new ATOM 0 HH TYR A 22 2.177 6.232 -7.835 1.00 0.57 H new ATOM 560 N LEU A 23 4.052 12.961 -6.717 1.00 0.28 N ATOM 561 CA LEU A 23 2.705 13.436 -7.000 1.00 0.30 C ATOM 562 C LEU A 23 2.691 14.303 -8.254 1.00 0.34 C ATOM 563 O LEU A 23 1.770 14.211 -9.065 1.00 0.37 O ATOM 564 CB LEU A 23 2.155 14.214 -5.805 1.00 0.30 C ATOM 565 CG LEU A 23 1.968 13.384 -4.536 1.00 0.28 C ATOM 566 CD1 LEU A 23 1.475 14.251 -3.391 1.00 0.33 C ATOM 567 CD2 LEU A 23 1.004 12.239 -4.790 1.00 0.32 C ATOM 0 H LEU A 23 4.468 13.355 -5.873 1.00 0.28 H new ATOM 0 HA LEU A 23 2.065 12.571 -7.177 1.00 0.30 H new ATOM 0 HB2 LEU A 23 2.830 15.042 -5.586 1.00 0.30 H new ATOM 0 HB3 LEU A 23 1.195 14.650 -6.083 1.00 0.30 H new ATOM 0 HG LEU A 23 2.935 12.968 -4.254 1.00 0.28 H new ATOM 0 HD11 LEU A 23 1.349 13.638 -2.498 1.00 0.33 H new ATOM 0 HD12 LEU A 23 2.202 15.038 -3.191 1.00 0.33 H new ATOM 0 HD13 LEU A 23 0.519 14.700 -3.660 1.00 0.33 H new ATOM 0 HD21 LEU A 23 0.881 11.657 -3.876 1.00 0.32 H new ATOM 0 HD22 LEU A 23 0.038 12.638 -5.098 1.00 0.32 H new ATOM 0 HD23 LEU A 23 1.400 11.598 -5.578 1.00 0.32 H new ATOM 579 N LYS A 24 3.727 15.123 -8.422 1.00 0.34 N ATOM 580 CA LYS A 24 3.841 15.970 -9.601 1.00 0.39 C ATOM 581 C LYS A 24 3.968 15.115 -10.856 1.00 0.40 C ATOM 582 O LYS A 24 3.226 15.292 -11.824 1.00 0.44 O ATOM 583 CB LYS A 24 5.054 16.901 -9.497 1.00 0.41 C ATOM 584 CG LYS A 24 4.922 18.003 -8.456 1.00 0.45 C ATOM 585 CD LYS A 24 5.905 19.130 -8.739 1.00 0.55 C ATOM 586 CE LYS A 24 5.752 20.290 -7.766 1.00 1.35 C ATOM 587 NZ LYS A 24 6.541 20.100 -6.521 1.00 1.88 N ATOM 0 H LYS A 24 4.495 15.217 -7.758 1.00 0.34 H new ATOM 0 HA LYS A 24 2.938 16.577 -9.662 1.00 0.39 H new ATOM 0 HB2 LYS A 24 5.935 16.303 -9.264 1.00 0.41 H new ATOM 0 HB3 LYS A 24 5.228 17.359 -10.471 1.00 0.41 H new ATOM 0 HG2 LYS A 24 3.904 18.392 -8.458 1.00 0.45 H new ATOM 0 HG3 LYS A 24 5.105 17.595 -7.462 1.00 0.45 H new ATOM 0 HD2 LYS A 24 6.923 18.744 -8.683 1.00 0.55 H new ATOM 0 HD3 LYS A 24 5.757 19.491 -9.757 1.00 0.55 H new ATOM 0 HE2 LYS A 24 6.067 21.212 -8.254 1.00 1.35 H new ATOM 0 HE3 LYS A 24 4.699 20.408 -7.510 1.00 1.35 H new ATOM 0 HZ1 LYS A 24 6.582 20.997 -5.996 1.00 1.88 H new ATOM 0 HZ2 LYS A 24 6.088 19.373 -5.931 1.00 1.88 H new ATOM 0 HZ3 LYS A 24 7.506 19.797 -6.764 1.00 1.88 H new ATOM 601 N ALA A 25 4.921 14.193 -10.830 1.00 0.40 N ATOM 602 CA ALA A 25 5.146 13.281 -11.945 1.00 0.43 C ATOM 603 C ALA A 25 3.907 12.438 -12.224 1.00 0.43 C ATOM 604 O ALA A 25 3.571 12.173 -13.377 1.00 0.44 O ATOM 605 CB ALA A 25 6.338 12.382 -11.661 1.00 0.43 C ATOM 0 H ALA A 25 5.555 14.056 -10.043 1.00 0.40 H new ATOM 0 HA ALA A 25 5.357 13.879 -12.831 1.00 0.43 H new ATOM 0 HB1 ALA A 25 6.493 11.707 -12.503 1.00 0.43 H new ATOM 0 HB2 ALA A 25 7.229 12.993 -11.517 1.00 0.43 H new ATOM 0 HB3 ALA A 25 6.148 11.800 -10.759 1.00 0.43 H new ATOM 611 N ARG A 26 3.224 12.040 -11.155 1.00 0.43 N ATOM 612 CA ARG A 26 2.031 11.200 -11.254 1.00 0.45 C ATOM 613 C ARG A 26 0.891 11.948 -11.953 1.00 0.47 C ATOM 614 O ARG A 26 -0.098 11.347 -12.371 1.00 0.51 O ATOM 615 CB ARG A 26 1.593 10.750 -9.855 1.00 0.48 C ATOM 616 CG ARG A 26 1.173 9.286 -9.756 1.00 0.85 C ATOM 617 CD ARG A 26 -0.063 8.986 -10.588 1.00 0.72 C ATOM 618 NE ARG A 26 -0.630 7.677 -10.281 1.00 0.76 N ATOM 619 CZ ARG A 26 -1.639 7.131 -10.956 1.00 0.78 C ATOM 620 NH1 ARG A 26 -2.121 7.731 -12.032 1.00 1.29 N ATOM 621 NH2 ARG A 26 -2.158 5.974 -10.566 1.00 1.06 N ATOM 0 H ARG A 26 3.479 12.288 -10.199 1.00 0.43 H new ATOM 0 HA ARG A 26 2.275 10.322 -11.852 1.00 0.45 H new ATOM 0 HB2 ARG A 26 2.413 10.926 -9.159 1.00 0.48 H new ATOM 0 HB3 ARG A 26 0.761 11.375 -9.532 1.00 0.48 H new ATOM 0 HG2 ARG A 26 1.995 8.651 -10.087 1.00 0.85 H new ATOM 0 HG3 ARG A 26 0.977 9.036 -8.713 1.00 0.85 H new ATOM 0 HD2 ARG A 26 -0.814 9.756 -10.411 1.00 0.72 H new ATOM 0 HD3 ARG A 26 0.194 9.029 -11.646 1.00 0.72 H new ATOM 0 HE ARG A 26 -0.230 7.150 -9.505 1.00 0.76 H new ATOM 0 HH11 ARG A 26 -1.719 8.614 -12.346 1.00 1.29 H new ATOM 0 HH12 ARG A 26 -2.894 7.310 -12.547 1.00 1.29 H new ATOM 0 HH21 ARG A 26 -1.784 5.498 -9.745 1.00 1.06 H new ATOM 0 HH22 ARG A 26 -2.931 5.560 -11.087 1.00 1.06 H new ATOM 635 N GLY A 27 1.043 13.256 -12.098 1.00 0.46 N ATOM 636 CA GLY A 27 0.026 14.048 -12.756 1.00 0.49 C ATOM 637 C GLY A 27 -0.965 14.651 -11.784 1.00 0.50 C ATOM 638 O GLY A 27 -2.078 15.017 -12.168 1.00 0.62 O ATOM 0 H GLY A 27 1.853 13.783 -11.771 1.00 0.46 H new ATOM 0 HA2 GLY A 27 0.504 14.847 -13.323 1.00 0.49 H new ATOM 0 HA3 GLY A 27 -0.508 13.424 -13.472 1.00 0.49 H new ATOM 642 N TYR A 28 -0.570 14.756 -10.526 1.00 0.48 N ATOM 643 CA TYR A 28 -1.412 15.375 -9.520 1.00 0.53 C ATOM 644 C TYR A 28 -1.078 16.848 -9.389 1.00 0.56 C ATOM 645 O TYR A 28 0.076 17.220 -9.156 1.00 0.54 O ATOM 646 CB TYR A 28 -1.265 14.673 -8.171 1.00 0.51 C ATOM 647 CG TYR A 28 -1.873 13.289 -8.151 1.00 0.53 C ATOM 648 CD1 TYR A 28 -1.080 12.160 -8.019 1.00 0.52 C ATOM 649 CD2 TYR A 28 -3.245 13.117 -8.279 1.00 0.59 C ATOM 650 CE1 TYR A 28 -1.635 10.895 -8.016 1.00 0.54 C ATOM 651 CE2 TYR A 28 -3.810 11.857 -8.273 1.00 0.63 C ATOM 652 CZ TYR A 28 -3.000 10.749 -8.141 1.00 0.60 C ATOM 653 OH TYR A 28 -3.557 9.491 -8.150 1.00 0.64 O ATOM 0 H TYR A 28 0.328 14.420 -10.179 1.00 0.48 H new ATOM 0 HA TYR A 28 -2.450 15.276 -9.839 1.00 0.53 H new ATOM 0 HB2 TYR A 28 -0.207 14.602 -7.919 1.00 0.51 H new ATOM 0 HB3 TYR A 28 -1.736 15.281 -7.399 1.00 0.51 H new ATOM 0 HD1 TYR A 28 -0.011 12.271 -7.917 1.00 0.52 H new ATOM 0 HD2 TYR A 28 -3.881 13.983 -8.385 1.00 0.59 H new ATOM 0 HE1 TYR A 28 -1.003 10.025 -7.916 1.00 0.54 H new ATOM 0 HE2 TYR A 28 -4.879 11.740 -8.371 1.00 0.63 H new ATOM 0 HH TYR A 28 -4.530 9.565 -8.244 1.00 0.64 H new ATOM 663 N GLY A 29 -2.097 17.680 -9.536 1.00 0.68 N ATOM 664 CA GLY A 29 -1.896 19.108 -9.479 1.00 0.80 C ATOM 665 C GLY A 29 -1.758 19.596 -8.056 1.00 0.88 C ATOM 666 O GLY A 29 -1.810 18.797 -7.119 1.00 1.54 O ATOM 0 H GLY A 29 -3.062 17.389 -9.694 1.00 0.68 H new ATOM 0 HA2 GLY A 29 -1.001 19.372 -10.043 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -2.735 19.613 -9.957 1.00 0.80 H new ATOM 670 N TRP A 30 -1.605 20.903 -7.898 1.00 0.54 N ATOM 671 CA TRP A 30 -1.393 21.515 -6.593 1.00 0.56 C ATOM 672 C TRP A 30 -2.437 21.052 -5.574 1.00 0.54 C ATOM 673 O TRP A 30 -2.085 20.626 -4.479 1.00 0.52 O ATOM 674 CB TRP A 30 -1.408 23.040 -6.730 1.00 0.65 C ATOM 675 CG TRP A 30 -1.276 23.770 -5.428 1.00 0.75 C ATOM 676 CD1 TRP A 30 -0.121 24.112 -4.787 1.00 0.84 C ATOM 677 CD2 TRP A 30 -2.347 24.246 -4.613 1.00 0.86 C ATOM 678 NE1 TRP A 30 -0.412 24.767 -3.615 1.00 0.98 N ATOM 679 CE2 TRP A 30 -1.773 24.865 -3.487 1.00 0.99 C ATOM 680 CE3 TRP A 30 -3.734 24.209 -4.729 1.00 0.91 C ATOM 681 CZ2 TRP A 30 -2.550 25.439 -2.484 1.00 1.14 C ATOM 682 CZ3 TRP A 30 -4.500 24.776 -3.736 1.00 1.07 C ATOM 683 CH2 TRP A 30 -3.910 25.384 -2.628 1.00 1.18 C ATOM 0 H TRP A 30 -1.624 21.569 -8.670 1.00 0.54 H new ATOM 0 HA TRP A 30 -0.419 21.197 -6.221 1.00 0.56 H new ATOM 0 HB2 TRP A 30 -0.595 23.343 -7.389 1.00 0.65 H new ATOM 0 HB3 TRP A 30 -2.338 23.342 -7.212 1.00 0.65 H new ATOM 0 HD1 TRP A 30 0.875 23.899 -5.148 1.00 0.84 H new ATOM 0 HE1 TRP A 30 0.273 25.123 -2.948 1.00 0.98 H new ATOM 0 HE3 TRP A 30 -4.201 23.743 -5.584 1.00 0.91 H new ATOM 0 HZ2 TRP A 30 -2.096 25.910 -1.624 1.00 1.14 H new ATOM 0 HZ3 TRP A 30 -5.577 24.750 -3.816 1.00 1.07 H new ATOM 0 HH2 TRP A 30 -4.540 25.821 -1.867 1.00 1.18 H new ATOM 694 N ILE A 31 -3.716 21.112 -5.947 1.00 0.60 N ATOM 695 CA ILE A 31 -4.797 20.720 -5.049 1.00 0.63 C ATOM 696 C ILE A 31 -4.628 19.288 -4.546 1.00 0.53 C ATOM 697 O ILE A 31 -4.582 19.052 -3.338 1.00 0.51 O ATOM 698 CB ILE A 31 -6.184 20.895 -5.720 1.00 0.76 C ATOM 699 CG1 ILE A 31 -6.713 22.301 -5.460 1.00 1.05 C ATOM 700 CG2 ILE A 31 -7.181 19.857 -5.218 1.00 0.69 C ATOM 701 CD1 ILE A 31 -7.052 22.534 -4.013 1.00 2.16 C ATOM 0 H ILE A 31 -4.026 21.429 -6.866 1.00 0.60 H new ATOM 0 HA ILE A 31 -4.746 21.386 -4.188 1.00 0.63 H new ATOM 0 HB ILE A 31 -6.061 20.747 -6.793 1.00 0.76 H new ATOM 0 HG12 ILE A 31 -5.967 23.030 -5.776 1.00 1.05 H new ATOM 0 HG13 ILE A 31 -7.601 22.469 -6.069 1.00 1.05 H new ATOM 0 HG21 ILE A 31 -8.142 20.009 -5.709 1.00 0.69 H new ATOM 0 HG22 ILE A 31 -6.811 18.857 -5.446 1.00 0.69 H new ATOM 0 HG23 ILE A 31 -7.303 19.962 -4.140 1.00 0.69 H new ATOM 0 HD11 ILE A 31 -7.424 23.551 -3.886 1.00 2.16 H new ATOM 0 HD12 ILE A 31 -7.819 21.825 -3.700 1.00 2.16 H new ATOM 0 HD13 ILE A 31 -6.159 22.395 -3.403 1.00 2.16 H new ATOM 713 N MET A 32 -4.537 18.338 -5.466 1.00 0.48 N ATOM 714 CA MET A 32 -4.365 16.942 -5.091 1.00 0.43 C ATOM 715 C MET A 32 -3.079 16.745 -4.312 1.00 0.38 C ATOM 716 O MET A 32 -3.036 15.972 -3.360 1.00 0.39 O ATOM 717 CB MET A 32 -4.368 16.027 -6.314 1.00 0.48 C ATOM 718 CG MET A 32 -5.720 15.923 -6.992 1.00 0.55 C ATOM 719 SD MET A 32 -7.074 15.710 -5.820 1.00 0.97 S ATOM 720 CE MET A 32 -6.472 14.307 -4.890 1.00 0.48 C ATOM 0 H MET A 32 -4.579 18.507 -6.471 1.00 0.48 H new ATOM 0 HA MET A 32 -5.211 16.675 -4.458 1.00 0.43 H new ATOM 0 HB2 MET A 32 -3.637 16.395 -7.034 1.00 0.48 H new ATOM 0 HB3 MET A 32 -4.045 15.031 -6.013 1.00 0.48 H new ATOM 0 HG2 MET A 32 -5.895 16.822 -7.583 1.00 0.55 H new ATOM 0 HG3 MET A 32 -5.710 15.082 -7.686 1.00 0.55 H new ATOM 0 HE1 MET A 32 -7.275 13.911 -4.268 1.00 0.48 H new ATOM 0 HE2 MET A 32 -6.131 13.534 -5.578 1.00 0.48 H new ATOM 0 HE3 MET A 32 -5.642 14.620 -4.256 1.00 0.48 H new ATOM 730 N ARG A 33 -2.045 17.468 -4.704 1.00 0.39 N ATOM 731 CA ARG A 33 -0.749 17.351 -4.065 1.00 0.41 C ATOM 732 C ARG A 33 -0.800 17.920 -2.647 1.00 0.45 C ATOM 733 O ARG A 33 0.033 17.593 -1.804 1.00 0.60 O ATOM 734 CB ARG A 33 0.300 18.066 -4.911 1.00 0.49 C ATOM 735 CG ARG A 33 1.725 17.829 -4.458 1.00 0.90 C ATOM 736 CD ARG A 33 2.717 18.390 -5.460 1.00 0.71 C ATOM 737 NE ARG A 33 2.633 19.848 -5.547 1.00 0.77 N ATOM 738 CZ ARG A 33 2.321 20.520 -6.654 1.00 0.99 C ATOM 739 NH1 ARG A 33 1.999 19.873 -7.770 1.00 1.87 N ATOM 740 NH2 ARG A 33 2.312 21.847 -6.634 1.00 1.03 N ATOM 0 H ARG A 33 -2.080 18.145 -5.466 1.00 0.39 H new ATOM 0 HA ARG A 33 -0.475 16.299 -3.988 1.00 0.41 H new ATOM 0 HB2 ARG A 33 0.200 17.740 -5.946 1.00 0.49 H new ATOM 0 HB3 ARG A 33 0.098 19.137 -4.893 1.00 0.49 H new ATOM 0 HG2 ARG A 33 1.883 18.295 -3.485 1.00 0.90 H new ATOM 0 HG3 ARG A 33 1.897 16.760 -4.331 1.00 0.90 H new ATOM 0 HD2 ARG A 33 3.728 18.100 -5.173 1.00 0.71 H new ATOM 0 HD3 ARG A 33 2.528 17.955 -6.442 1.00 0.71 H new ATOM 0 HE ARG A 33 2.826 20.387 -4.703 1.00 0.77 H new ATOM 0 HH11 ARG A 33 1.989 18.853 -7.784 1.00 1.87 H new ATOM 0 HH12 ARG A 33 1.762 20.397 -8.613 1.00 1.87 H new ATOM 0 HH21 ARG A 33 2.543 22.346 -5.775 1.00 1.03 H new ATOM 0 HH22 ARG A 33 2.074 22.368 -7.478 1.00 1.03 H new ATOM 754 N GLN A 34 -1.791 18.765 -2.390 1.00 0.41 N ATOM 755 CA GLN A 34 -2.010 19.300 -1.055 1.00 0.46 C ATOM 756 C GLN A 34 -2.815 18.320 -0.215 1.00 0.47 C ATOM 757 O GLN A 34 -2.604 18.204 0.990 1.00 0.58 O ATOM 758 CB GLN A 34 -2.742 20.644 -1.124 1.00 0.51 C ATOM 759 CG GLN A 34 -1.896 21.778 -1.674 1.00 0.80 C ATOM 760 CD GLN A 34 -0.687 22.077 -0.814 1.00 1.39 C ATOM 761 OE1 GLN A 34 -0.750 22.896 0.103 1.00 1.88 O ATOM 762 NE2 GLN A 34 0.422 21.416 -1.102 1.00 1.97 N ATOM 0 H GLN A 34 -2.456 19.094 -3.090 1.00 0.41 H new ATOM 0 HA GLN A 34 -1.037 19.453 -0.589 1.00 0.46 H new ATOM 0 HB2 GLN A 34 -3.630 20.531 -1.746 1.00 0.51 H new ATOM 0 HB3 GLN A 34 -3.085 20.911 -0.125 1.00 0.51 H new ATOM 0 HG2 GLN A 34 -1.566 21.524 -2.681 1.00 0.80 H new ATOM 0 HG3 GLN A 34 -2.509 22.676 -1.756 1.00 0.80 H new ATOM 0 HE21 GLN A 34 0.431 20.746 -1.871 1.00 1.97 H new ATOM 0 HE22 GLN A 34 1.268 21.577 -0.555 1.00 1.97 H new ATOM 771 N VAL A 35 -3.732 17.617 -0.857 1.00 0.42 N ATOM 772 CA VAL A 35 -4.584 16.649 -0.184 1.00 0.42 C ATOM 773 C VAL A 35 -3.823 15.358 0.111 1.00 0.40 C ATOM 774 O VAL A 35 -3.571 15.016 1.268 1.00 0.44 O ATOM 775 CB VAL A 35 -5.806 16.326 -1.076 1.00 0.45 C ATOM 776 CG1 VAL A 35 -6.654 15.214 -0.488 1.00 0.68 C ATOM 777 CG2 VAL A 35 -6.647 17.573 -1.295 1.00 0.65 C ATOM 0 H VAL A 35 -3.908 17.700 -1.858 1.00 0.42 H new ATOM 0 HA VAL A 35 -4.912 17.083 0.761 1.00 0.42 H new ATOM 0 HB VAL A 35 -5.428 15.979 -2.038 1.00 0.45 H new ATOM 0 HG11 VAL A 35 -7.502 15.017 -1.144 1.00 0.68 H new ATOM 0 HG12 VAL A 35 -6.053 14.310 -0.391 1.00 0.68 H new ATOM 0 HG13 VAL A 35 -7.018 15.515 0.495 1.00 0.68 H new ATOM 0 HG21 VAL A 35 -7.503 17.329 -1.924 1.00 0.65 H new ATOM 0 HG22 VAL A 35 -6.999 17.948 -0.334 1.00 0.65 H new ATOM 0 HG23 VAL A 35 -6.043 18.338 -1.784 1.00 0.65 H new ATOM 787 N ILE A 36 -3.483 14.660 -0.963 1.00 0.38 N ATOM 788 CA ILE A 36 -2.817 13.361 -0.933 1.00 0.39 C ATOM 789 C ILE A 36 -1.748 13.208 0.152 1.00 0.46 C ATOM 790 O ILE A 36 -1.864 12.330 1.006 1.00 0.51 O ATOM 791 CB ILE A 36 -2.215 13.076 -2.313 1.00 0.42 C ATOM 792 CG1 ILE A 36 -3.351 12.939 -3.328 1.00 0.47 C ATOM 793 CG2 ILE A 36 -1.378 11.822 -2.265 1.00 0.48 C ATOM 794 CD1 ILE A 36 -2.905 12.862 -4.764 1.00 0.51 C ATOM 0 H ILE A 36 -3.668 14.990 -1.910 1.00 0.38 H new ATOM 0 HA ILE A 36 -3.585 12.631 -0.676 1.00 0.39 H new ATOM 0 HB ILE A 36 -1.565 13.898 -2.614 1.00 0.42 H new ATOM 0 HG12 ILE A 36 -3.925 12.043 -3.092 1.00 0.47 H new ATOM 0 HG13 ILE A 36 -4.025 13.789 -3.216 1.00 0.47 H new ATOM 0 HG21 ILE A 36 -0.955 11.629 -3.251 1.00 0.48 H new ATOM 0 HG22 ILE A 36 -0.572 11.950 -1.543 1.00 0.48 H new ATOM 0 HG23 ILE A 36 -2.002 10.979 -1.966 1.00 0.48 H new ATOM 0 HD11 ILE A 36 -3.777 12.766 -5.411 1.00 0.51 H new ATOM 0 HD12 ILE A 36 -2.358 13.768 -5.024 1.00 0.51 H new ATOM 0 HD13 ILE A 36 -2.257 11.996 -4.898 1.00 0.51 H new ATOM 806 N LYS A 37 -0.725 14.055 0.146 1.00 0.52 N ATOM 807 CA LYS A 37 0.420 13.830 1.031 1.00 0.67 C ATOM 808 C LYS A 37 0.179 14.384 2.431 1.00 0.66 C ATOM 809 O LYS A 37 1.043 14.282 3.302 1.00 0.79 O ATOM 810 CB LYS A 37 1.694 14.432 0.441 1.00 0.91 C ATOM 811 CG LYS A 37 1.660 15.939 0.321 1.00 0.75 C ATOM 812 CD LYS A 37 3.005 16.488 -0.125 1.00 0.94 C ATOM 813 CE LYS A 37 3.040 18.002 -0.048 1.00 0.70 C ATOM 814 NZ LYS A 37 4.394 18.537 -0.339 1.00 0.97 N ATOM 0 H LYS A 37 -0.660 14.884 -0.444 1.00 0.52 H new ATOM 0 HA LYS A 37 0.545 12.751 1.117 1.00 0.67 H new ATOM 0 HB2 LYS A 37 2.542 14.146 1.064 1.00 0.91 H new ATOM 0 HB3 LYS A 37 1.864 14.002 -0.546 1.00 0.91 H new ATOM 0 HG2 LYS A 37 0.890 16.232 -0.393 1.00 0.75 H new ATOM 0 HG3 LYS A 37 1.387 16.376 1.281 1.00 0.75 H new ATOM 0 HD2 LYS A 37 3.795 16.072 0.501 1.00 0.94 H new ATOM 0 HD3 LYS A 37 3.208 16.170 -1.148 1.00 0.94 H new ATOM 0 HE2 LYS A 37 2.324 18.419 -0.757 1.00 0.70 H new ATOM 0 HE3 LYS A 37 2.728 18.323 0.946 1.00 0.70 H new ATOM 0 HZ1 LYS A 37 4.390 19.571 -0.227 1.00 0.97 H new ATOM 0 HZ2 LYS A 37 5.081 18.120 0.321 1.00 0.97 H new ATOM 0 HZ3 LYS A 37 4.660 18.296 -1.315 1.00 0.97 H new ATOM 828 N LEU A 38 -0.988 14.970 2.648 1.00 0.63 N ATOM 829 CA LEU A 38 -1.345 15.500 3.941 1.00 0.70 C ATOM 830 C LEU A 38 -2.117 14.437 4.723 1.00 0.65 C ATOM 831 O LEU A 38 -1.950 14.291 5.936 1.00 0.91 O ATOM 832 CB LEU A 38 -2.153 16.793 3.720 1.00 0.82 C ATOM 833 CG LEU A 38 -2.879 17.396 4.923 1.00 1.08 C ATOM 834 CD1 LEU A 38 -4.162 16.634 5.190 1.00 2.08 C ATOM 835 CD2 LEU A 38 -1.986 17.417 6.152 1.00 1.61 C ATOM 0 H LEU A 38 -1.706 15.088 1.933 1.00 0.63 H new ATOM 0 HA LEU A 38 -0.466 15.751 4.535 1.00 0.70 H new ATOM 0 HB2 LEU A 38 -1.474 17.549 3.326 1.00 0.82 H new ATOM 0 HB3 LEU A 38 -2.895 16.596 2.946 1.00 0.82 H new ATOM 0 HG LEU A 38 -3.132 18.430 4.691 1.00 1.08 H new ATOM 0 HD11 LEU A 38 -4.672 17.070 6.049 1.00 2.08 H new ATOM 0 HD12 LEU A 38 -4.809 16.693 4.315 1.00 2.08 H new ATOM 0 HD13 LEU A 38 -3.928 15.590 5.399 1.00 2.08 H new ATOM 0 HD21 LEU A 38 -2.531 17.851 6.990 1.00 1.61 H new ATOM 0 HD22 LEU A 38 -1.687 16.399 6.402 1.00 1.61 H new ATOM 0 HD23 LEU A 38 -1.099 18.016 5.947 1.00 1.61 H new ATOM 847 N ALA A 39 -2.944 13.687 4.004 1.00 0.52 N ATOM 848 CA ALA A 39 -3.758 12.639 4.593 1.00 0.53 C ATOM 849 C ALA A 39 -2.899 11.582 5.273 1.00 0.60 C ATOM 850 O ALA A 39 -1.999 11.008 4.659 1.00 1.03 O ATOM 851 CB ALA A 39 -4.624 11.995 3.522 1.00 0.55 C ATOM 0 H ALA A 39 -3.067 13.791 2.997 1.00 0.52 H new ATOM 0 HA ALA A 39 -4.394 13.093 5.353 1.00 0.53 H new ATOM 0 HB1 ALA A 39 -5.233 11.209 3.970 1.00 0.55 H new ATOM 0 HB2 ALA A 39 -5.274 12.749 3.078 1.00 0.55 H new ATOM 0 HB3 ALA A 39 -3.987 11.564 2.749 1.00 0.55 H new ATOM 857 N GLY A 40 -3.178 11.341 6.548 1.00 0.43 N ATOM 858 CA GLY A 40 -2.503 10.283 7.267 1.00 0.46 C ATOM 859 C GLY A 40 -2.927 8.926 6.751 1.00 0.46 C ATOM 860 O GLY A 40 -4.105 8.713 6.457 1.00 0.84 O ATOM 0 H GLY A 40 -3.862 11.862 7.096 1.00 0.43 H new ATOM 0 HA2 GLY A 40 -1.424 10.396 7.161 1.00 0.46 H new ATOM 0 HA3 GLY A 40 -2.728 10.359 8.331 1.00 0.46 H new ATOM 864 N VAL A 41 -1.981 8.011 6.630 1.00 0.44 N ATOM 865 CA VAL A 41 -2.261 6.718 6.030 1.00 0.45 C ATOM 866 C VAL A 41 -1.921 5.579 6.980 1.00 0.36 C ATOM 867 O VAL A 41 -0.815 5.502 7.516 1.00 0.41 O ATOM 868 CB VAL A 41 -1.484 6.521 4.709 1.00 0.67 C ATOM 869 CG1 VAL A 41 -1.831 5.184 4.073 1.00 0.95 C ATOM 870 CG2 VAL A 41 -1.767 7.660 3.740 1.00 1.30 C ATOM 0 H VAL A 41 -1.017 8.138 6.938 1.00 0.44 H new ATOM 0 HA VAL A 41 -3.330 6.702 5.818 1.00 0.45 H new ATOM 0 HB VAL A 41 -0.419 6.525 4.941 1.00 0.67 H new ATOM 0 HG11 VAL A 41 -1.272 5.067 3.144 1.00 0.95 H new ATOM 0 HG12 VAL A 41 -1.570 4.377 4.758 1.00 0.95 H new ATOM 0 HG13 VAL A 41 -2.900 5.149 3.861 1.00 0.95 H new ATOM 0 HG21 VAL A 41 -1.209 7.500 2.817 1.00 1.30 H new ATOM 0 HG22 VAL A 41 -2.834 7.692 3.518 1.00 1.30 H new ATOM 0 HG23 VAL A 41 -1.461 8.605 4.190 1.00 1.30 H new ATOM 880 N THR A 42 -2.890 4.706 7.184 1.00 0.31 N ATOM 881 CA THR A 42 -2.693 3.505 7.966 1.00 0.30 C ATOM 882 C THR A 42 -2.625 2.287 7.049 1.00 0.29 C ATOM 883 O THR A 42 -3.640 1.873 6.477 1.00 0.32 O ATOM 884 CB THR A 42 -3.832 3.325 8.992 1.00 0.35 C ATOM 885 OG1 THR A 42 -3.771 4.371 9.973 1.00 0.40 O ATOM 886 CG2 THR A 42 -3.756 1.967 9.676 1.00 0.45 C ATOM 0 H THR A 42 -3.834 4.811 6.812 1.00 0.31 H new ATOM 0 HA THR A 42 -1.752 3.601 8.507 1.00 0.30 H new ATOM 0 HB THR A 42 -4.780 3.378 8.457 1.00 0.35 H new ATOM 0 HG1 THR A 42 -4.496 4.254 10.621 1.00 0.40 H new ATOM 0 HG21 THR A 42 -4.573 1.874 10.392 1.00 0.45 H new ATOM 0 HG22 THR A 42 -3.837 1.178 8.928 1.00 0.45 H new ATOM 0 HG23 THR A 42 -2.804 1.875 10.198 1.00 0.45 H new ATOM 894 N LYS A 43 -1.421 1.753 6.875 1.00 0.31 N ATOM 895 CA LYS A 43 -1.225 0.528 6.110 1.00 0.35 C ATOM 896 C LYS A 43 -1.536 -0.669 6.990 1.00 0.33 C ATOM 897 O LYS A 43 -0.939 -0.837 8.048 1.00 0.41 O ATOM 898 CB LYS A 43 0.213 0.441 5.592 1.00 0.50 C ATOM 899 CG LYS A 43 0.482 1.320 4.382 1.00 0.77 C ATOM 900 CD LYS A 43 -0.112 0.724 3.119 1.00 0.53 C ATOM 901 CE LYS A 43 0.074 1.640 1.918 1.00 0.59 C ATOM 902 NZ LYS A 43 -0.766 2.862 2.009 1.00 0.79 N ATOM 0 H LYS A 43 -0.563 2.152 7.256 1.00 0.31 H new ATOM 0 HA LYS A 43 -1.897 0.534 5.252 1.00 0.35 H new ATOM 0 HB2 LYS A 43 0.896 0.723 6.393 1.00 0.50 H new ATOM 0 HB3 LYS A 43 0.435 -0.595 5.334 1.00 0.50 H new ATOM 0 HG2 LYS A 43 0.062 2.311 4.550 1.00 0.77 H new ATOM 0 HG3 LYS A 43 1.557 1.447 4.255 1.00 0.77 H new ATOM 0 HD2 LYS A 43 0.356 -0.239 2.917 1.00 0.53 H new ATOM 0 HD3 LYS A 43 -1.175 0.536 3.271 1.00 0.53 H new ATOM 0 HE2 LYS A 43 1.123 1.927 1.841 1.00 0.59 H new ATOM 0 HE3 LYS A 43 -0.176 1.097 1.007 1.00 0.59 H new ATOM 0 HZ1 LYS A 43 -0.821 3.316 1.075 1.00 0.79 H new ATOM 0 HZ2 LYS A 43 -1.722 2.603 2.325 1.00 0.79 H new ATOM 0 HZ3 LYS A 43 -0.343 3.524 2.691 1.00 0.79 H new ATOM 916 N LYS A 44 -2.474 -1.487 6.564 1.00 0.31 N ATOM 917 CA LYS A 44 -2.956 -2.568 7.394 1.00 0.35 C ATOM 918 C LYS A 44 -2.949 -3.890 6.632 1.00 0.34 C ATOM 919 O LYS A 44 -3.639 -4.041 5.626 1.00 0.47 O ATOM 920 CB LYS A 44 -4.363 -2.216 7.854 1.00 0.44 C ATOM 921 CG LYS A 44 -4.991 -3.219 8.789 1.00 0.90 C ATOM 922 CD LYS A 44 -6.424 -2.826 9.068 1.00 0.88 C ATOM 923 CE LYS A 44 -7.160 -3.878 9.872 1.00 1.39 C ATOM 924 NZ LYS A 44 -8.576 -3.495 10.087 1.00 1.96 N ATOM 0 H LYS A 44 -2.918 -1.424 5.648 1.00 0.31 H new ATOM 0 HA LYS A 44 -2.300 -2.694 8.256 1.00 0.35 H new ATOM 0 HB2 LYS A 44 -4.336 -1.245 8.349 1.00 0.44 H new ATOM 0 HB3 LYS A 44 -5.001 -2.109 6.977 1.00 0.44 H new ATOM 0 HG2 LYS A 44 -4.956 -4.215 8.347 1.00 0.90 H new ATOM 0 HG3 LYS A 44 -4.428 -3.264 9.721 1.00 0.90 H new ATOM 0 HD2 LYS A 44 -6.441 -1.880 9.609 1.00 0.88 H new ATOM 0 HD3 LYS A 44 -6.944 -2.662 8.124 1.00 0.88 H new ATOM 0 HE2 LYS A 44 -7.114 -4.835 9.352 1.00 1.39 H new ATOM 0 HE3 LYS A 44 -6.667 -4.015 10.835 1.00 1.39 H new ATOM 0 HZ1 LYS A 44 -8.985 -4.087 10.838 1.00 1.96 H new ATOM 0 HZ2 LYS A 44 -8.626 -2.495 10.368 1.00 1.96 H new ATOM 0 HZ3 LYS A 44 -9.111 -3.634 9.206 1.00 1.96 H new ATOM 938 N PHE A 45 -2.152 -4.832 7.111 1.00 0.29 N ATOM 939 CA PHE A 45 -2.068 -6.158 6.510 1.00 0.29 C ATOM 940 C PHE A 45 -2.405 -7.217 7.552 1.00 0.30 C ATOM 941 O PHE A 45 -1.864 -7.197 8.657 1.00 0.37 O ATOM 942 CB PHE A 45 -0.662 -6.421 5.965 1.00 0.32 C ATOM 943 CG PHE A 45 -0.217 -5.492 4.870 1.00 0.36 C ATOM 944 CD1 PHE A 45 0.211 -4.209 5.165 1.00 0.40 C ATOM 945 CD2 PHE A 45 -0.248 -5.894 3.541 1.00 0.44 C ATOM 946 CE1 PHE A 45 0.605 -3.346 4.161 1.00 0.49 C ATOM 947 CE2 PHE A 45 0.147 -5.037 2.534 1.00 0.52 C ATOM 948 CZ PHE A 45 0.640 -3.792 2.847 1.00 0.54 C ATOM 0 H PHE A 45 -1.548 -4.703 7.922 1.00 0.29 H new ATOM 0 HA PHE A 45 -2.780 -6.205 5.686 1.00 0.29 H new ATOM 0 HB2 PHE A 45 0.049 -6.353 6.789 1.00 0.32 H new ATOM 0 HB3 PHE A 45 -0.620 -7.444 5.591 1.00 0.32 H new ATOM 0 HD1 PHE A 45 0.237 -3.879 6.193 1.00 0.40 H new ATOM 0 HD2 PHE A 45 -0.585 -6.889 3.293 1.00 0.44 H new ATOM 0 HE1 PHE A 45 0.884 -2.330 4.397 1.00 0.49 H new ATOM 0 HE2 PHE A 45 0.069 -5.344 1.501 1.00 0.52 H new ATOM 0 HZ PHE A 45 1.053 -3.163 2.073 1.00 0.54 H new ATOM 958 N ARG A 46 -3.293 -8.138 7.210 1.00 0.31 N ATOM 959 CA ARG A 46 -3.690 -9.183 8.140 1.00 0.33 C ATOM 960 C ARG A 46 -4.239 -10.398 7.403 1.00 0.31 C ATOM 961 O ARG A 46 -4.408 -10.374 6.187 1.00 0.33 O ATOM 962 CB ARG A 46 -4.751 -8.646 9.106 1.00 0.39 C ATOM 963 CG ARG A 46 -5.989 -8.138 8.394 1.00 0.50 C ATOM 964 CD ARG A 46 -7.016 -7.571 9.353 1.00 0.64 C ATOM 965 NE ARG A 46 -8.182 -7.058 8.633 1.00 1.51 N ATOM 966 CZ ARG A 46 -9.339 -6.737 9.198 1.00 2.03 C ATOM 967 NH1 ARG A 46 -9.491 -6.815 10.516 1.00 1.85 N ATOM 968 NH2 ARG A 46 -10.340 -6.320 8.436 1.00 3.17 N ATOM 0 H ARG A 46 -3.750 -8.183 6.299 1.00 0.31 H new ATOM 0 HA ARG A 46 -2.806 -9.491 8.699 1.00 0.33 H new ATOM 0 HB2 ARG A 46 -5.036 -9.435 9.802 1.00 0.39 H new ATOM 0 HB3 ARG A 46 -4.321 -7.839 9.699 1.00 0.39 H new ATOM 0 HG2 ARG A 46 -5.702 -7.369 7.677 1.00 0.50 H new ATOM 0 HG3 ARG A 46 -6.438 -8.953 7.826 1.00 0.50 H new ATOM 0 HD2 ARG A 46 -7.329 -8.344 10.054 1.00 0.64 H new ATOM 0 HD3 ARG A 46 -6.566 -6.771 9.941 1.00 0.64 H new ATOM 0 HE ARG A 46 -8.099 -6.938 7.623 1.00 1.51 H new ATOM 0 HH11 ARG A 46 -8.715 -7.124 11.102 1.00 1.85 H new ATOM 0 HH12 ARG A 46 -10.384 -6.566 10.942 1.00 1.85 H new ATOM 0 HH21 ARG A 46 -10.217 -6.249 7.426 1.00 3.17 H new ATOM 0 HH22 ARG A 46 -11.234 -6.071 8.860 1.00 3.17 H new ATOM 982 N ASN A 47 -4.484 -11.461 8.155 1.00 0.33 N ATOM 983 CA ASN A 47 -5.197 -12.632 7.642 1.00 0.37 C ATOM 984 C ASN A 47 -6.613 -12.223 7.253 1.00 0.39 C ATOM 985 O ASN A 47 -7.095 -11.187 7.718 1.00 0.54 O ATOM 986 CB ASN A 47 -5.228 -13.742 8.696 1.00 0.50 C ATOM 987 CG ASN A 47 -3.879 -14.410 8.878 1.00 0.92 C ATOM 988 OD1 ASN A 47 -3.035 -13.941 9.644 1.00 1.85 O ATOM 989 ND2 ASN A 47 -3.666 -15.517 8.180 1.00 1.44 N ATOM 0 H ASN A 47 -4.199 -11.541 9.131 1.00 0.33 H new ATOM 0 HA ASN A 47 -4.679 -13.017 6.764 1.00 0.37 H new ATOM 0 HB2 ASN A 47 -5.554 -13.325 9.649 1.00 0.50 H new ATOM 0 HB3 ASN A 47 -5.965 -14.492 8.407 1.00 0.50 H new ATOM 0 HD21 ASN A 47 -2.778 -16.012 8.267 1.00 1.44 H new ATOM 0 HD22 ASN A 47 -4.390 -15.874 7.556 1.00 1.44 H new ATOM 996 N ALA A 48 -7.284 -13.005 6.404 1.00 0.36 N ATOM 997 CA ALA A 48 -8.624 -12.646 5.941 1.00 0.41 C ATOM 998 C ALA A 48 -9.570 -12.360 7.103 1.00 0.64 C ATOM 999 O ALA A 48 -9.491 -13.011 8.142 1.00 0.87 O ATOM 1000 CB ALA A 48 -9.191 -13.749 5.065 1.00 0.49 C ATOM 0 H ALA A 48 -6.925 -13.882 6.027 1.00 0.36 H new ATOM 0 HA ALA A 48 -8.534 -11.731 5.356 1.00 0.41 H new ATOM 0 HB1 ALA A 48 -10.189 -13.469 4.727 1.00 0.49 H new ATOM 0 HB2 ALA A 48 -8.543 -13.896 4.201 1.00 0.49 H new ATOM 0 HB3 ALA A 48 -9.248 -14.675 5.637 1.00 0.49 H new ATOM 1006 N ALA A 49 -10.442 -11.376 6.911 1.00 0.83 N ATOM 1007 CA ALA A 49 -11.356 -10.899 7.950 1.00 1.18 C ATOM 1008 C ALA A 49 -12.032 -12.032 8.707 1.00 1.17 C ATOM 1009 O ALA A 49 -11.885 -12.152 9.929 1.00 1.46 O ATOM 1010 CB ALA A 49 -12.413 -10.019 7.318 1.00 1.48 C ATOM 0 H ALA A 49 -10.537 -10.881 6.024 1.00 0.83 H new ATOM 0 HA ALA A 49 -10.762 -10.338 8.672 1.00 1.18 H new ATOM 0 HB1 ALA A 49 -13.096 -9.661 8.088 1.00 1.48 H new ATOM 0 HB2 ALA A 49 -11.935 -9.168 6.833 1.00 1.48 H new ATOM 0 HB3 ALA A 49 -12.970 -10.593 6.577 1.00 1.48 H new ATOM 1016 N SER A 50 -12.779 -12.850 7.978 1.00 1.12 N ATOM 1017 CA SER A 50 -13.460 -13.992 8.564 1.00 1.50 C ATOM 1018 C SER A 50 -12.451 -14.926 9.223 1.00 1.66 C ATOM 1019 O SER A 50 -12.663 -15.425 10.330 1.00 2.19 O ATOM 1020 CB SER A 50 -14.236 -14.734 7.475 1.00 1.77 C ATOM 1021 OG SER A 50 -15.255 -13.912 6.925 1.00 2.37 O ATOM 0 H SER A 50 -12.928 -12.741 6.975 1.00 1.12 H new ATOM 0 HA SER A 50 -14.156 -13.644 9.327 1.00 1.50 H new ATOM 0 HB2 SER A 50 -13.552 -15.048 6.686 1.00 1.77 H new ATOM 0 HB3 SER A 50 -14.679 -15.639 7.892 1.00 1.77 H new ATOM 0 HG SER A 50 -15.736 -14.408 6.230 1.00 2.37 H new ATOM 1027 N GLY A 51 -11.349 -15.128 8.528 1.00 1.42 N ATOM 1028 CA GLY A 51 -10.289 -15.975 9.035 1.00 1.68 C ATOM 1029 C GLY A 51 -10.100 -17.193 8.164 1.00 1.70 C ATOM 1030 O GLY A 51 -9.737 -18.267 8.641 1.00 1.91 O ATOM 0 H GLY A 51 -11.165 -14.718 7.612 1.00 1.42 H new ATOM 0 HA2 GLY A 51 -9.358 -15.409 9.081 1.00 1.68 H new ATOM 0 HA3 GLY A 51 -10.524 -16.286 10.053 1.00 1.68 H new ATOM 1034 N LYS A 52 -10.352 -17.016 6.878 1.00 1.54 N ATOM 1035 CA LYS A 52 -10.260 -18.102 5.919 1.00 1.60 C ATOM 1036 C LYS A 52 -8.832 -18.209 5.409 1.00 1.44 C ATOM 1037 O LYS A 52 -8.252 -17.214 4.977 1.00 1.37 O ATOM 1038 CB LYS A 52 -11.238 -17.858 4.767 1.00 1.62 C ATOM 1039 CG LYS A 52 -12.695 -17.844 5.212 1.00 1.92 C ATOM 1040 CD LYS A 52 -13.640 -17.487 4.076 1.00 1.94 C ATOM 1041 CE LYS A 52 -13.534 -16.018 3.700 1.00 2.59 C ATOM 1042 NZ LYS A 52 -14.430 -15.665 2.570 1.00 3.17 N ATOM 0 H LYS A 52 -10.624 -16.121 6.472 1.00 1.54 H new ATOM 0 HA LYS A 52 -10.527 -19.043 6.400 1.00 1.60 H new ATOM 0 HB2 LYS A 52 -11.000 -16.906 4.292 1.00 1.62 H new ATOM 0 HB3 LYS A 52 -11.102 -18.633 4.013 1.00 1.62 H new ATOM 0 HG2 LYS A 52 -12.961 -18.824 5.609 1.00 1.92 H new ATOM 0 HG3 LYS A 52 -12.818 -17.127 6.024 1.00 1.92 H new ATOM 0 HD2 LYS A 52 -13.413 -18.103 3.206 1.00 1.94 H new ATOM 0 HD3 LYS A 52 -14.665 -17.715 4.369 1.00 1.94 H new ATOM 0 HE2 LYS A 52 -13.783 -15.404 4.565 1.00 2.59 H new ATOM 0 HE3 LYS A 52 -12.503 -15.786 3.431 1.00 2.59 H new ATOM 0 HZ1 LYS A 52 -14.326 -14.655 2.347 1.00 3.17 H new ATOM 0 HZ2 LYS A 52 -14.176 -16.232 1.736 1.00 3.17 H new ATOM 0 HZ3 LYS A 52 -15.416 -15.861 2.835 1.00 3.17 H new ATOM 1056 N PRO A 53 -8.241 -19.410 5.476 1.00 1.49 N ATOM 1057 CA PRO A 53 -6.842 -19.634 5.101 1.00 1.40 C ATOM 1058 C PRO A 53 -6.555 -19.280 3.648 1.00 1.15 C ATOM 1059 O PRO A 53 -7.454 -19.314 2.800 1.00 1.15 O ATOM 1060 CB PRO A 53 -6.631 -21.132 5.337 1.00 1.68 C ATOM 1061 CG PRO A 53 -7.999 -21.713 5.333 1.00 1.84 C ATOM 1062 CD PRO A 53 -8.887 -20.655 5.918 1.00 1.76 C ATOM 0 HA PRO A 53 -6.171 -19.001 5.682 1.00 1.40 H new ATOM 0 HB2 PRO A 53 -6.012 -21.572 4.555 1.00 1.68 H new ATOM 0 HB3 PRO A 53 -6.126 -21.316 6.285 1.00 1.68 H new ATOM 0 HG2 PRO A 53 -8.312 -21.972 4.322 1.00 1.84 H new ATOM 0 HG3 PRO A 53 -8.038 -22.628 5.923 1.00 1.84 H new ATOM 0 HD2 PRO A 53 -9.909 -20.734 5.548 1.00 1.76 H new ATOM 0 HD3 PRO A 53 -8.935 -20.722 7.005 1.00 1.76 H new ATOM 1070 N ASP A 54 -5.302 -18.893 3.410 1.00 1.04 N ATOM 1071 CA ASP A 54 -4.775 -18.545 2.088 1.00 0.90 C ATOM 1072 C ASP A 54 -5.059 -17.080 1.819 1.00 0.68 C ATOM 1073 O ASP A 54 -4.154 -16.286 1.578 1.00 0.97 O ATOM 1074 CB ASP A 54 -5.357 -19.409 0.950 1.00 1.06 C ATOM 1075 CG ASP A 54 -5.018 -20.884 1.068 1.00 1.60 C ATOM 1076 OD1 ASP A 54 -5.872 -21.660 1.542 1.00 2.44 O ATOM 1077 OD2 ASP A 54 -3.883 -21.270 0.717 1.00 1.60 O ATOM 0 H ASP A 54 -4.606 -18.810 4.151 1.00 1.04 H new ATOM 0 HA ASP A 54 -3.703 -18.741 2.103 1.00 0.90 H new ATOM 0 HB2 ASP A 54 -6.441 -19.294 0.937 1.00 1.06 H new ATOM 0 HB3 ASP A 54 -4.986 -19.035 -0.004 1.00 1.06 H new ATOM 1082 N ARG A 55 -6.335 -16.747 1.850 1.00 0.63 N ATOM 1083 CA ARG A 55 -6.782 -15.370 1.670 1.00 0.47 C ATOM 1084 C ARG A 55 -6.381 -14.479 2.840 1.00 0.41 C ATOM 1085 O ARG A 55 -6.472 -14.862 4.010 1.00 0.51 O ATOM 1086 CB ARG A 55 -8.299 -15.307 1.460 1.00 0.64 C ATOM 1087 CG ARG A 55 -8.749 -15.754 0.073 1.00 1.24 C ATOM 1088 CD ARG A 55 -8.612 -17.256 -0.117 1.00 1.87 C ATOM 1089 NE ARG A 55 -8.906 -17.664 -1.489 1.00 2.57 N ATOM 1090 CZ ARG A 55 -9.742 -18.649 -1.816 1.00 3.35 C ATOM 1091 NH1 ARG A 55 -10.391 -19.324 -0.873 1.00 3.78 N ATOM 1092 NH2 ARG A 55 -9.930 -18.955 -3.091 1.00 4.10 N ATOM 0 H ARG A 55 -7.091 -17.415 1.999 1.00 0.63 H new ATOM 0 HA ARG A 55 -6.284 -14.993 0.777 1.00 0.47 H new ATOM 0 HB2 ARG A 55 -8.786 -15.932 2.208 1.00 0.64 H new ATOM 0 HB3 ARG A 55 -8.637 -14.285 1.629 1.00 0.64 H new ATOM 0 HG2 ARG A 55 -9.788 -15.463 -0.082 1.00 1.24 H new ATOM 0 HG3 ARG A 55 -8.157 -15.238 -0.683 1.00 1.24 H new ATOM 0 HD2 ARG A 55 -7.599 -17.563 0.143 1.00 1.87 H new ATOM 0 HD3 ARG A 55 -9.287 -17.771 0.567 1.00 1.87 H new ATOM 0 HE ARG A 55 -8.441 -17.162 -2.246 1.00 2.57 H new ATOM 0 HH11 ARG A 55 -10.251 -19.090 0.110 1.00 3.78 H new ATOM 0 HH12 ARG A 55 -11.029 -20.076 -1.132 1.00 3.78 H new ATOM 0 HH21 ARG A 55 -9.436 -18.438 -3.818 1.00 4.10 H new ATOM 0 HH22 ARG A 55 -10.569 -19.708 -3.346 1.00 4.10 H new ATOM 1106 N TYR A 56 -5.932 -13.284 2.506 1.00 0.35 N ATOM 1107 CA TYR A 56 -5.568 -12.293 3.500 1.00 0.32 C ATOM 1108 C TYR A 56 -6.413 -11.035 3.325 1.00 0.33 C ATOM 1109 O TYR A 56 -7.199 -10.933 2.382 1.00 0.41 O ATOM 1110 CB TYR A 56 -4.077 -11.960 3.404 1.00 0.34 C ATOM 1111 CG TYR A 56 -3.174 -12.988 4.058 1.00 0.41 C ATOM 1112 CD1 TYR A 56 -2.834 -14.155 3.388 1.00 0.55 C ATOM 1113 CD2 TYR A 56 -2.659 -12.795 5.335 1.00 0.53 C ATOM 1114 CE1 TYR A 56 -2.010 -15.099 3.966 1.00 0.72 C ATOM 1115 CE2 TYR A 56 -1.832 -13.738 5.922 1.00 0.69 C ATOM 1116 CZ TYR A 56 -1.523 -14.863 5.285 1.00 0.77 C ATOM 1117 OH TYR A 56 -0.691 -15.831 5.807 1.00 0.97 O ATOM 0 H TYR A 56 -5.810 -12.974 1.542 1.00 0.35 H new ATOM 0 HA TYR A 56 -5.762 -12.705 4.490 1.00 0.32 H new ATOM 0 HB2 TYR A 56 -3.803 -11.866 2.353 1.00 0.34 H new ATOM 0 HB3 TYR A 56 -3.901 -10.989 3.867 1.00 0.34 H new ATOM 0 HD1 TYR A 56 -3.222 -14.328 2.395 1.00 0.55 H new ATOM 0 HD2 TYR A 56 -2.908 -11.895 5.878 1.00 0.53 H new ATOM 0 HE1 TYR A 56 -1.740 -15.997 3.431 1.00 0.72 H new ATOM 0 HE2 TYR A 56 -1.433 -13.557 6.909 1.00 0.69 H new ATOM 0 HH TYR A 56 -0.414 -15.572 6.711 1.00 0.97 H new ATOM 1127 N ASP A 57 -6.251 -10.093 4.237 1.00 0.32 N ATOM 1128 CA ASP A 57 -7.023 -8.858 4.231 1.00 0.34 C ATOM 1129 C ASP A 57 -6.075 -7.673 4.360 1.00 0.29 C ATOM 1130 O ASP A 57 -5.154 -7.699 5.178 1.00 0.32 O ATOM 1131 CB ASP A 57 -8.031 -8.882 5.389 1.00 0.43 C ATOM 1132 CG ASP A 57 -9.002 -7.719 5.380 1.00 0.68 C ATOM 1133 OD1 ASP A 57 -8.715 -6.692 6.030 1.00 1.10 O ATOM 1134 OD2 ASP A 57 -10.075 -7.848 4.759 1.00 0.99 O ATOM 0 H ASP A 57 -5.581 -10.160 5.003 1.00 0.32 H new ATOM 0 HA ASP A 57 -7.574 -8.763 3.295 1.00 0.34 H new ATOM 0 HB2 ASP A 57 -8.595 -9.814 5.348 1.00 0.43 H new ATOM 0 HB3 ASP A 57 -7.486 -8.880 6.333 1.00 0.43 H new ATOM 1139 N MET A 58 -6.275 -6.648 3.546 1.00 0.27 N ATOM 1140 CA MET A 58 -5.369 -5.506 3.531 1.00 0.26 C ATOM 1141 C MET A 58 -6.144 -4.218 3.308 1.00 0.27 C ATOM 1142 O MET A 58 -6.926 -4.114 2.367 1.00 0.33 O ATOM 1143 CB MET A 58 -4.299 -5.692 2.447 1.00 0.30 C ATOM 1144 CG MET A 58 -3.230 -4.609 2.442 1.00 0.51 C ATOM 1145 SD MET A 58 -3.748 -3.096 1.611 1.00 0.98 S ATOM 1146 CE MET A 58 -2.435 -1.985 2.107 1.00 0.36 C ATOM 0 H MET A 58 -7.053 -6.582 2.889 1.00 0.27 H new ATOM 0 HA MET A 58 -4.871 -5.441 4.498 1.00 0.26 H new ATOM 0 HB2 MET A 58 -3.820 -6.661 2.586 1.00 0.30 H new ATOM 0 HB3 MET A 58 -4.784 -5.714 1.471 1.00 0.30 H new ATOM 0 HG2 MET A 58 -2.956 -4.374 3.471 1.00 0.51 H new ATOM 0 HG3 MET A 58 -2.335 -4.995 1.954 1.00 0.51 H new ATOM 0 HE1 MET A 58 -2.846 -1.194 2.734 1.00 0.36 H new ATOM 0 HE2 MET A 58 -1.682 -2.539 2.668 1.00 0.36 H new ATOM 0 HE3 MET A 58 -1.977 -1.545 1.221 1.00 0.36 H new ATOM 1156 N GLU A 59 -5.912 -3.232 4.158 1.00 0.29 N ATOM 1157 CA GLU A 59 -6.690 -2.006 4.111 1.00 0.32 C ATOM 1158 C GLU A 59 -5.803 -0.767 4.180 1.00 0.31 C ATOM 1159 O GLU A 59 -4.677 -0.815 4.679 1.00 0.31 O ATOM 1160 CB GLU A 59 -7.725 -1.985 5.245 1.00 0.46 C ATOM 1161 CG GLU A 59 -8.652 -3.196 5.255 1.00 1.03 C ATOM 1162 CD GLU A 59 -9.677 -3.157 6.373 1.00 0.87 C ATOM 1163 OE1 GLU A 59 -9.285 -3.102 7.559 1.00 1.05 O ATOM 1164 OE2 GLU A 59 -10.887 -3.197 6.075 1.00 1.11 O ATOM 0 H GLU A 59 -5.196 -3.256 4.884 1.00 0.29 H new ATOM 0 HA GLU A 59 -7.210 -1.985 3.153 1.00 0.32 H new ATOM 0 HB2 GLU A 59 -7.203 -1.931 6.200 1.00 0.46 H new ATOM 0 HB3 GLU A 59 -8.326 -1.080 5.159 1.00 0.46 H new ATOM 0 HG2 GLU A 59 -9.170 -3.256 4.298 1.00 1.03 H new ATOM 0 HG3 GLU A 59 -8.054 -4.102 5.351 1.00 1.03 H new ATOM 1171 N ASN A 60 -6.325 0.335 3.653 1.00 0.36 N ATOM 1172 CA ASN A 60 -5.635 1.618 3.677 1.00 0.42 C ATOM 1173 C ASN A 60 -6.556 2.689 4.226 1.00 0.46 C ATOM 1174 O ASN A 60 -7.343 3.280 3.483 1.00 0.60 O ATOM 1175 CB ASN A 60 -5.173 2.039 2.279 1.00 0.44 C ATOM 1176 CG ASN A 60 -4.165 1.091 1.672 1.00 0.57 C ATOM 1177 OD1 ASN A 60 -2.970 1.206 1.926 1.00 1.17 O ATOM 1178 ND2 ASN A 60 -4.635 0.172 0.843 1.00 1.02 N ATOM 0 H ASN A 60 -7.237 0.363 3.198 1.00 0.36 H new ATOM 0 HA ASN A 60 -4.758 1.504 4.315 1.00 0.42 H new ATOM 0 HB2 ASN A 60 -6.040 2.106 1.622 1.00 0.44 H new ATOM 0 HB3 ASN A 60 -4.737 3.036 2.333 1.00 0.44 H new ATOM 0 HD21 ASN A 60 -3.995 -0.477 0.386 1.00 1.02 H new ATOM 0 HD22 ASN A 60 -5.637 0.113 0.662 1.00 1.02 H new ATOM 1185 N LEU A 61 -6.460 2.942 5.516 1.00 0.38 N ATOM 1186 CA LEU A 61 -7.296 3.947 6.150 1.00 0.39 C ATOM 1187 C LEU A 61 -6.607 5.304 6.098 1.00 0.39 C ATOM 1188 O LEU A 61 -5.458 5.438 6.523 1.00 0.50 O ATOM 1189 CB LEU A 61 -7.590 3.551 7.600 1.00 0.42 C ATOM 1190 CG LEU A 61 -8.378 4.577 8.413 1.00 1.12 C ATOM 1191 CD1 LEU A 61 -9.766 4.779 7.828 1.00 1.67 C ATOM 1192 CD2 LEU A 61 -8.466 4.142 9.864 1.00 1.66 C ATOM 0 H LEU A 61 -5.813 2.468 6.146 1.00 0.38 H new ATOM 0 HA LEU A 61 -8.241 4.014 5.611 1.00 0.39 H new ATOM 0 HB2 LEU A 61 -8.144 2.612 7.597 1.00 0.42 H new ATOM 0 HB3 LEU A 61 -6.643 3.361 8.106 1.00 0.42 H new ATOM 0 HG LEU A 61 -7.852 5.530 8.368 1.00 1.12 H new ATOM 0 HD11 LEU A 61 -10.308 5.514 8.423 1.00 1.67 H new ATOM 0 HD12 LEU A 61 -9.680 5.136 6.802 1.00 1.67 H new ATOM 0 HD13 LEU A 61 -10.307 3.833 7.839 1.00 1.67 H new ATOM 0 HD21 LEU A 61 -9.030 4.882 10.432 1.00 1.66 H new ATOM 0 HD22 LEU A 61 -8.969 3.177 9.925 1.00 1.66 H new ATOM 0 HD23 LEU A 61 -7.462 4.054 10.279 1.00 1.66 H new ATOM 1204 N THR A 62 -7.298 6.307 5.567 1.00 0.34 N ATOM 1205 CA THR A 62 -6.731 7.637 5.444 1.00 0.35 C ATOM 1206 C THR A 62 -7.753 8.675 5.889 1.00 0.37 C ATOM 1207 O THR A 62 -8.830 8.325 6.371 1.00 0.43 O ATOM 1208 CB THR A 62 -6.279 7.949 3.997 1.00 0.36 C ATOM 1209 OG1 THR A 62 -7.415 8.181 3.154 1.00 0.34 O ATOM 1210 CG2 THR A 62 -5.455 6.802 3.423 1.00 0.45 C ATOM 0 H THR A 62 -8.252 6.220 5.216 1.00 0.34 H new ATOM 0 HA THR A 62 -5.849 7.675 6.083 1.00 0.35 H new ATOM 0 HB THR A 62 -5.662 8.847 4.031 1.00 0.36 H new ATOM 0 HG1 THR A 62 -7.420 7.527 2.425 1.00 0.34 H new ATOM 0 HG21 THR A 62 -5.150 7.047 2.406 1.00 0.45 H new ATOM 0 HG22 THR A 62 -4.570 6.646 4.040 1.00 0.45 H new ATOM 0 HG23 THR A 62 -6.055 5.892 3.413 1.00 0.45 H new ATOM 1218 N THR A 63 -7.424 9.944 5.722 1.00 0.42 N ATOM 1219 CA THR A 63 -8.306 11.012 6.146 1.00 0.46 C ATOM 1220 C THR A 63 -9.233 11.438 5.010 1.00 0.46 C ATOM 1221 O THR A 63 -10.289 12.030 5.242 1.00 0.54 O ATOM 1222 CB THR A 63 -7.489 12.228 6.626 1.00 0.50 C ATOM 1223 OG1 THR A 63 -6.916 12.914 5.506 1.00 0.52 O ATOM 1224 CG2 THR A 63 -6.369 11.781 7.548 1.00 0.50 C ATOM 0 H THR A 63 -6.552 10.258 5.296 1.00 0.42 H new ATOM 0 HA THR A 63 -8.911 10.636 6.971 1.00 0.46 H new ATOM 0 HB THR A 63 -8.161 12.897 7.163 1.00 0.50 H new ATOM 0 HG1 THR A 63 -6.538 13.768 5.804 1.00 0.52 H new ATOM 0 HG21 THR A 63 -5.801 12.651 7.879 1.00 0.50 H new ATOM 0 HG22 THR A 63 -6.792 11.273 8.415 1.00 0.50 H new ATOM 0 HG23 THR A 63 -5.709 11.098 7.014 1.00 0.50 H new ATOM 1232 N LYS A 64 -8.844 11.124 3.781 1.00 0.46 N ATOM 1233 CA LYS A 64 -9.572 11.598 2.612 1.00 0.50 C ATOM 1234 C LYS A 64 -10.340 10.466 1.947 1.00 0.49 C ATOM 1235 O LYS A 64 -11.430 10.669 1.415 1.00 0.60 O ATOM 1236 CB LYS A 64 -8.599 12.232 1.615 1.00 0.59 C ATOM 1237 CG LYS A 64 -7.840 13.422 2.179 1.00 0.83 C ATOM 1238 CD LYS A 64 -8.769 14.577 2.521 1.00 0.88 C ATOM 1239 CE LYS A 64 -8.000 15.784 3.034 1.00 1.64 C ATOM 1240 NZ LYS A 64 -8.905 16.900 3.415 1.00 2.24 N ATOM 0 H LYS A 64 -8.031 10.545 3.569 1.00 0.46 H new ATOM 0 HA LYS A 64 -10.293 12.347 2.939 1.00 0.50 H new ATOM 0 HB2 LYS A 64 -7.884 11.477 1.288 1.00 0.59 H new ATOM 0 HB3 LYS A 64 -9.153 12.550 0.732 1.00 0.59 H new ATOM 0 HG2 LYS A 64 -7.297 13.116 3.073 1.00 0.83 H new ATOM 0 HG3 LYS A 64 -7.098 13.756 1.454 1.00 0.83 H new ATOM 0 HD2 LYS A 64 -9.340 14.859 1.637 1.00 0.88 H new ATOM 0 HD3 LYS A 64 -9.487 14.255 3.275 1.00 0.88 H new ATOM 0 HE2 LYS A 64 -7.401 15.492 3.897 1.00 1.64 H new ATOM 0 HE3 LYS A 64 -7.307 16.126 2.265 1.00 1.64 H new ATOM 0 HZ1 LYS A 64 -8.340 17.703 3.759 1.00 2.24 H new ATOM 0 HZ2 LYS A 64 -9.459 17.196 2.586 1.00 2.24 H new ATOM 0 HZ3 LYS A 64 -9.550 16.583 4.167 1.00 2.24 H new ATOM 1254 N LYS A 65 -9.775 9.274 1.993 1.00 0.49 N ATOM 1255 CA LYS A 65 -10.389 8.111 1.378 1.00 0.49 C ATOM 1256 C LYS A 65 -10.221 6.911 2.293 1.00 0.52 C ATOM 1257 O LYS A 65 -10.238 7.050 3.517 1.00 1.09 O ATOM 1258 CB LYS A 65 -9.783 7.867 -0.020 1.00 0.73 C ATOM 1259 CG LYS A 65 -10.600 6.926 -0.917 1.00 1.18 C ATOM 1260 CD LYS A 65 -12.063 7.331 -1.012 1.00 1.22 C ATOM 1261 CE LYS A 65 -12.872 6.323 -1.824 1.00 1.36 C ATOM 1262 NZ LYS A 65 -12.940 4.986 -1.165 1.00 1.82 N ATOM 0 H LYS A 65 -8.885 9.085 2.454 1.00 0.49 H new ATOM 0 HA LYS A 65 -11.457 8.281 1.239 1.00 0.49 H new ATOM 0 HB2 LYS A 65 -9.674 8.826 -0.526 1.00 0.73 H new ATOM 0 HB3 LYS A 65 -8.781 7.454 0.100 1.00 0.73 H new ATOM 0 HG2 LYS A 65 -10.165 6.914 -1.916 1.00 1.18 H new ATOM 0 HG3 LYS A 65 -10.533 5.910 -0.528 1.00 1.18 H new ATOM 0 HD2 LYS A 65 -12.484 7.414 -0.010 1.00 1.22 H new ATOM 0 HD3 LYS A 65 -12.140 8.316 -1.473 1.00 1.22 H new ATOM 0 HE2 LYS A 65 -13.882 6.705 -1.970 1.00 1.36 H new ATOM 0 HE3 LYS A 65 -12.426 6.216 -2.813 1.00 1.36 H new ATOM 0 HZ1 LYS A 65 -12.492 4.274 -1.777 1.00 1.82 H new ATOM 0 HZ2 LYS A 65 -12.441 5.023 -0.253 1.00 1.82 H new ATOM 0 HZ3 LYS A 65 -13.935 4.728 -1.005 1.00 1.82 H new ATOM 1276 N ASP A 66 -9.988 5.779 1.681 1.00 0.47 N ATOM 1277 CA ASP A 66 -10.040 4.477 2.337 1.00 0.39 C ATOM 1278 C ASP A 66 -10.199 3.386 1.295 1.00 0.43 C ATOM 1279 O ASP A 66 -11.050 3.481 0.410 1.00 0.66 O ATOM 1280 CB ASP A 66 -11.212 4.389 3.315 1.00 0.57 C ATOM 1281 CG ASP A 66 -11.322 3.036 3.989 1.00 1.40 C ATOM 1282 OD1 ASP A 66 -12.012 2.146 3.445 1.00 2.03 O ATOM 1283 OD2 ASP A 66 -10.747 2.865 5.083 1.00 2.12 O ATOM 0 H ASP A 66 -9.751 5.724 0.691 1.00 0.47 H new ATOM 0 HA ASP A 66 -9.110 4.348 2.890 1.00 0.39 H new ATOM 0 HB2 ASP A 66 -11.100 5.160 4.077 1.00 0.57 H new ATOM 0 HB3 ASP A 66 -12.139 4.599 2.782 1.00 0.57 H new ATOM 1288 N THR A 67 -9.354 2.383 1.376 1.00 0.35 N ATOM 1289 CA THR A 67 -9.536 1.164 0.615 1.00 0.32 C ATOM 1290 C THR A 67 -9.491 -0.012 1.569 1.00 0.26 C ATOM 1291 O THR A 67 -8.931 0.090 2.663 1.00 0.30 O ATOM 1292 CB THR A 67 -8.470 0.968 -0.486 1.00 0.38 C ATOM 1293 OG1 THR A 67 -7.166 1.245 0.035 1.00 0.38 O ATOM 1294 CG2 THR A 67 -8.749 1.846 -1.699 1.00 0.56 C ATOM 0 H THR A 67 -8.524 2.387 1.968 1.00 0.35 H new ATOM 0 HA THR A 67 -10.500 1.234 0.111 1.00 0.32 H new ATOM 0 HB THR A 67 -8.514 -0.072 -0.811 1.00 0.38 H new ATOM 0 HG1 THR A 67 -6.501 1.147 -0.678 1.00 0.38 H new ATOM 0 HG21 THR A 67 -7.979 1.681 -2.452 1.00 0.56 H new ATOM 0 HG22 THR A 67 -9.724 1.592 -2.115 1.00 0.56 H new ATOM 0 HG23 THR A 67 -8.744 2.894 -1.399 1.00 0.56 H new ATOM 1302 N HIS A 68 -10.069 -1.121 1.166 1.00 0.25 N ATOM 1303 CA HIS A 68 -10.142 -2.284 2.031 1.00 0.23 C ATOM 1304 C HIS A 68 -10.213 -3.556 1.203 1.00 0.22 C ATOM 1305 O HIS A 68 -11.280 -4.113 0.962 1.00 0.27 O ATOM 1306 CB HIS A 68 -11.318 -2.180 3.024 1.00 0.32 C ATOM 1307 CG HIS A 68 -12.654 -1.887 2.405 1.00 0.81 C ATOM 1308 ND1 HIS A 68 -13.801 -1.700 3.141 1.00 1.05 N ATOM 1309 CD2 HIS A 68 -13.015 -1.750 1.115 1.00 1.43 C ATOM 1310 CE1 HIS A 68 -14.810 -1.463 2.327 1.00 1.69 C ATOM 1311 NE2 HIS A 68 -14.362 -1.483 1.083 1.00 1.95 N ATOM 0 H HIS A 68 -10.495 -1.245 0.248 1.00 0.25 H new ATOM 0 HA HIS A 68 -9.231 -2.322 2.628 1.00 0.23 H new ATOM 0 HB2 HIS A 68 -11.389 -3.117 3.577 1.00 0.32 H new ATOM 0 HB3 HIS A 68 -11.092 -1.398 3.749 1.00 0.32 H new ATOM 0 HD2 HIS A 68 -12.362 -1.835 0.259 1.00 1.43 H new ATOM 0 HE1 HIS A 68 -15.832 -1.283 2.626 1.00 1.69 H new ATOM 0 HE2 HIS A 68 -14.921 -1.327 0.244 1.00 1.95 H new ATOM 1320 N HIS A 69 -9.048 -3.979 0.752 1.00 0.23 N ATOM 1321 CA HIS A 69 -8.903 -5.194 -0.035 1.00 0.26 C ATOM 1322 C HIS A 69 -9.227 -6.402 0.833 1.00 0.29 C ATOM 1323 O HIS A 69 -8.337 -6.974 1.466 1.00 0.33 O ATOM 1324 CB HIS A 69 -7.467 -5.342 -0.560 1.00 0.32 C ATOM 1325 CG HIS A 69 -6.839 -4.090 -1.112 1.00 0.31 C ATOM 1326 ND1 HIS A 69 -7.547 -3.010 -1.592 1.00 0.32 N ATOM 1327 CD2 HIS A 69 -5.534 -3.769 -1.263 1.00 0.39 C ATOM 1328 CE1 HIS A 69 -6.704 -2.087 -2.017 1.00 0.37 C ATOM 1329 NE2 HIS A 69 -5.474 -2.521 -1.830 1.00 0.39 N ATOM 0 H HIS A 69 -8.169 -3.489 0.921 1.00 0.23 H new ATOM 0 HA HIS A 69 -9.587 -5.134 -0.881 1.00 0.26 H new ATOM 0 HB2 HIS A 69 -6.840 -5.713 0.251 1.00 0.32 H new ATOM 0 HB3 HIS A 69 -7.462 -6.103 -1.340 1.00 0.32 H new ATOM 0 HD2 HIS A 69 -4.691 -4.384 -0.987 1.00 0.39 H new ATOM 0 HE1 HIS A 69 -6.977 -1.135 -2.447 1.00 0.37 H new ATOM 0 HE2 HIS A 69 -4.621 -2.014 -2.067 1.00 0.39 H new ATOM 1338 N LYS A 70 -10.493 -6.764 0.896 1.00 0.31 N ATOM 1339 CA LYS A 70 -10.916 -7.869 1.732 1.00 0.37 C ATOM 1340 C LYS A 70 -10.841 -9.209 1.021 1.00 0.31 C ATOM 1341 O LYS A 70 -11.370 -9.372 -0.082 1.00 0.33 O ATOM 1342 CB LYS A 70 -12.325 -7.627 2.237 1.00 0.49 C ATOM 1343 CG LYS A 70 -12.368 -6.445 3.157 1.00 1.01 C ATOM 1344 CD LYS A 70 -13.758 -6.121 3.624 1.00 1.00 C ATOM 1345 CE LYS A 70 -13.705 -4.838 4.395 1.00 1.43 C ATOM 1346 NZ LYS A 70 -13.035 -5.004 5.713 1.00 2.30 N ATOM 0 H LYS A 70 -11.246 -6.310 0.379 1.00 0.31 H new ATOM 0 HA LYS A 70 -10.223 -7.916 2.572 1.00 0.37 H new ATOM 0 HB2 LYS A 70 -12.994 -7.460 1.393 1.00 0.49 H new ATOM 0 HB3 LYS A 70 -12.685 -8.513 2.760 1.00 0.49 H new ATOM 0 HG2 LYS A 70 -11.735 -6.641 4.023 1.00 1.01 H new ATOM 0 HG3 LYS A 70 -11.950 -5.578 2.646 1.00 1.01 H new ATOM 0 HD2 LYS A 70 -14.432 -6.026 2.773 1.00 1.00 H new ATOM 0 HD3 LYS A 70 -14.146 -6.925 4.250 1.00 1.00 H new ATOM 0 HE2 LYS A 70 -13.174 -4.086 3.811 1.00 1.43 H new ATOM 0 HE3 LYS A 70 -14.718 -4.466 4.548 1.00 1.43 H new ATOM 0 HZ1 LYS A 70 -13.708 -4.784 6.475 1.00 2.30 H new ATOM 0 HZ2 LYS A 70 -12.707 -5.986 5.814 1.00 2.30 H new ATOM 0 HZ3 LYS A 70 -12.221 -4.359 5.773 1.00 2.30 H new ATOM 1360 N ASP A 71 -10.166 -10.150 1.674 1.00 0.33 N ATOM 1361 CA ASP A 71 -10.157 -11.549 1.260 1.00 0.37 C ATOM 1362 C ASP A 71 -9.539 -11.704 -0.128 1.00 0.33 C ATOM 1363 O ASP A 71 -10.219 -12.032 -1.099 1.00 0.42 O ATOM 1364 CB ASP A 71 -11.589 -12.095 1.292 1.00 0.51 C ATOM 1365 CG ASP A 71 -11.668 -13.602 1.144 1.00 1.10 C ATOM 1366 OD1 ASP A 71 -11.546 -14.308 2.168 1.00 1.47 O ATOM 1367 OD2 ASP A 71 -11.894 -14.085 0.017 1.00 2.07 O ATOM 0 H ASP A 71 -9.608 -9.963 2.507 1.00 0.33 H new ATOM 0 HA ASP A 71 -9.543 -12.124 1.953 1.00 0.37 H new ATOM 0 HB2 ASP A 71 -12.058 -11.806 2.232 1.00 0.51 H new ATOM 0 HB3 ASP A 71 -12.164 -11.629 0.492 1.00 0.51 H new ATOM 1372 N TRP A 72 -8.246 -11.448 -0.214 1.00 0.29 N ATOM 1373 CA TRP A 72 -7.525 -11.557 -1.473 1.00 0.30 C ATOM 1374 C TRP A 72 -6.421 -12.593 -1.379 1.00 0.31 C ATOM 1375 O TRP A 72 -6.013 -12.985 -0.283 1.00 0.29 O ATOM 1376 CB TRP A 72 -6.911 -10.209 -1.861 1.00 0.30 C ATOM 1377 CG TRP A 72 -6.020 -9.631 -0.799 1.00 0.26 C ATOM 1378 CD1 TRP A 72 -6.386 -8.769 0.190 1.00 0.27 C ATOM 1379 CD2 TRP A 72 -4.615 -9.871 -0.615 1.00 0.29 C ATOM 1380 NE1 TRP A 72 -5.305 -8.466 0.980 1.00 0.30 N ATOM 1381 CE2 TRP A 72 -4.208 -9.128 0.505 1.00 0.30 C ATOM 1382 CE3 TRP A 72 -3.662 -10.642 -1.282 1.00 0.36 C ATOM 1383 CZ2 TRP A 72 -2.893 -9.138 0.964 1.00 0.38 C ATOM 1384 CZ3 TRP A 72 -2.362 -10.639 -0.812 1.00 0.43 C ATOM 1385 CH2 TRP A 72 -1.994 -9.896 0.296 1.00 0.43 C ATOM 0 H TRP A 72 -7.669 -11.161 0.577 1.00 0.29 H new ATOM 0 HA TRP A 72 -8.241 -11.865 -2.235 1.00 0.30 H new ATOM 0 HB2 TRP A 72 -6.337 -10.331 -2.780 1.00 0.30 H new ATOM 0 HB3 TRP A 72 -7.712 -9.502 -2.077 1.00 0.30 H new ATOM 0 HD1 TRP A 72 -7.383 -8.380 0.332 1.00 0.27 H new ATOM 0 HE1 TRP A 72 -5.318 -7.847 1.790 1.00 0.30 H new ATOM 0 HE3 TRP A 72 -3.934 -11.229 -2.147 1.00 0.36 H new ATOM 0 HZ2 TRP A 72 -2.600 -8.558 1.827 1.00 0.38 H new ATOM 0 HZ3 TRP A 72 -1.616 -11.231 -1.322 1.00 0.43 H new ATOM 0 HH2 TRP A 72 -0.969 -9.922 0.634 1.00 0.43 H new ATOM 1396 N ALA A 73 -5.946 -13.043 -2.528 1.00 0.41 N ATOM 1397 CA ALA A 73 -4.779 -13.897 -2.585 1.00 0.50 C ATOM 1398 C ALA A 73 -3.749 -13.268 -3.502 1.00 0.48 C ATOM 1399 O ALA A 73 -4.110 -12.581 -4.454 1.00 0.42 O ATOM 1400 CB ALA A 73 -5.181 -15.264 -3.102 1.00 0.55 C ATOM 0 H ALA A 73 -6.356 -12.828 -3.437 1.00 0.41 H new ATOM 0 HA ALA A 73 -4.349 -14.010 -1.590 1.00 0.50 H new ATOM 0 HB1 ALA A 73 -4.303 -15.909 -3.146 1.00 0.55 H new ATOM 0 HB2 ALA A 73 -5.921 -15.703 -2.433 1.00 0.55 H new ATOM 0 HB3 ALA A 73 -5.608 -15.164 -4.100 1.00 0.55 H new ATOM 1406 N LEU A 74 -2.473 -13.445 -3.205 1.00 0.60 N ATOM 1407 CA LEU A 74 -1.450 -12.990 -4.126 1.00 0.67 C ATOM 1408 C LEU A 74 -1.580 -13.724 -5.461 1.00 0.57 C ATOM 1409 O LEU A 74 -1.874 -14.920 -5.518 1.00 0.56 O ATOM 1410 CB LEU A 74 -0.011 -13.076 -3.553 1.00 0.95 C ATOM 1411 CG LEU A 74 0.358 -14.260 -2.637 1.00 0.68 C ATOM 1412 CD1 LEU A 74 -0.156 -14.044 -1.215 1.00 1.28 C ATOM 1413 CD2 LEU A 74 -0.150 -15.573 -3.205 1.00 1.71 C ATOM 0 H LEU A 74 -2.128 -13.890 -2.354 1.00 0.60 H new ATOM 0 HA LEU A 74 -1.622 -11.926 -4.291 1.00 0.67 H new ATOM 0 HB2 LEU A 74 0.679 -13.085 -4.396 1.00 0.95 H new ATOM 0 HB3 LEU A 74 0.177 -12.158 -2.996 1.00 0.95 H new ATOM 0 HG LEU A 74 1.446 -14.313 -2.592 1.00 0.68 H new ATOM 0 HD11 LEU A 74 0.121 -14.897 -0.595 1.00 1.28 H new ATOM 0 HD12 LEU A 74 0.285 -13.137 -0.803 1.00 1.28 H new ATOM 0 HD13 LEU A 74 -1.241 -13.944 -1.232 1.00 1.28 H new ATOM 0 HD21 LEU A 74 0.125 -16.389 -2.537 1.00 1.71 H new ATOM 0 HD22 LEU A 74 -1.235 -15.533 -3.300 1.00 1.71 H new ATOM 0 HD23 LEU A 74 0.294 -15.741 -4.186 1.00 1.71 H new ATOM 1425 N GLY A 75 -1.381 -12.978 -6.523 1.00 0.58 N ATOM 1426 CA GLY A 75 -1.669 -13.462 -7.853 1.00 0.56 C ATOM 1427 C GLY A 75 -3.132 -13.280 -8.217 1.00 0.51 C ATOM 1428 O GLY A 75 -3.586 -13.770 -9.253 1.00 0.59 O ATOM 0 H GLY A 75 -1.018 -12.025 -6.490 1.00 0.58 H new ATOM 0 HA2 GLY A 75 -1.047 -12.933 -8.575 1.00 0.56 H new ATOM 0 HA3 GLY A 75 -1.407 -14.518 -7.920 1.00 0.56 H new ATOM 1432 N GLU A 76 -3.881 -12.577 -7.366 1.00 0.42 N ATOM 1433 CA GLU A 76 -5.300 -12.364 -7.610 1.00 0.40 C ATOM 1434 C GLU A 76 -5.619 -10.879 -7.789 1.00 0.36 C ATOM 1435 O GLU A 76 -5.251 -10.039 -6.963 1.00 0.47 O ATOM 1436 CB GLU A 76 -6.145 -12.948 -6.477 1.00 0.44 C ATOM 1437 CG GLU A 76 -7.612 -13.095 -6.834 1.00 0.92 C ATOM 1438 CD GLU A 76 -8.441 -13.678 -5.712 1.00 1.46 C ATOM 1439 OE1 GLU A 76 -9.286 -12.950 -5.145 1.00 2.37 O ATOM 1440 OE2 GLU A 76 -8.238 -14.860 -5.373 1.00 1.59 O ATOM 0 H GLU A 76 -3.528 -12.150 -6.509 1.00 0.42 H new ATOM 0 HA GLU A 76 -5.550 -12.882 -8.536 1.00 0.40 H new ATOM 0 HB2 GLU A 76 -5.746 -13.924 -6.202 1.00 0.44 H new ATOM 0 HB3 GLU A 76 -6.055 -12.308 -5.599 1.00 0.44 H new ATOM 0 HG2 GLU A 76 -8.013 -12.118 -7.104 1.00 0.92 H new ATOM 0 HG3 GLU A 76 -7.703 -13.732 -7.714 1.00 0.92 H new ATOM 1447 N GLU A 77 -6.255 -10.574 -8.910 1.00 0.39 N ATOM 1448 CA GLU A 77 -6.765 -9.236 -9.186 1.00 0.43 C ATOM 1449 C GLU A 77 -8.198 -9.095 -8.671 1.00 0.44 C ATOM 1450 O GLU A 77 -9.064 -9.921 -8.968 1.00 0.54 O ATOM 1451 CB GLU A 77 -6.713 -8.971 -10.692 1.00 0.53 C ATOM 1452 CG GLU A 77 -7.207 -7.596 -11.102 1.00 0.74 C ATOM 1453 CD GLU A 77 -7.201 -7.408 -12.605 1.00 0.91 C ATOM 1454 OE1 GLU A 77 -6.227 -6.827 -13.134 1.00 1.40 O ATOM 1455 OE2 GLU A 77 -8.168 -7.846 -13.266 1.00 0.90 O ATOM 0 H GLU A 77 -6.433 -11.247 -9.656 1.00 0.39 H new ATOM 0 HA GLU A 77 -6.143 -8.503 -8.671 1.00 0.43 H new ATOM 0 HB2 GLU A 77 -5.685 -9.092 -11.035 1.00 0.53 H new ATOM 0 HB3 GLU A 77 -7.311 -9.726 -11.203 1.00 0.53 H new ATOM 0 HG2 GLU A 77 -8.218 -7.448 -10.724 1.00 0.74 H new ATOM 0 HG3 GLU A 77 -6.579 -6.834 -10.640 1.00 0.74 H new ATOM 1462 N PHE A 78 -8.431 -8.056 -7.886 1.00 0.39 N ATOM 1463 CA PHE A 78 -9.734 -7.798 -7.289 1.00 0.41 C ATOM 1464 C PHE A 78 -10.123 -6.335 -7.466 1.00 0.42 C ATOM 1465 O PHE A 78 -9.263 -5.478 -7.596 1.00 0.42 O ATOM 1466 CB PHE A 78 -9.691 -8.145 -5.798 1.00 0.44 C ATOM 1467 CG PHE A 78 -8.503 -7.569 -5.083 1.00 0.41 C ATOM 1468 CD1 PHE A 78 -7.371 -8.335 -4.855 1.00 0.38 C ATOM 1469 CD2 PHE A 78 -8.524 -6.262 -4.630 1.00 0.51 C ATOM 1470 CE1 PHE A 78 -6.286 -7.807 -4.189 1.00 0.43 C ATOM 1471 CE2 PHE A 78 -7.440 -5.728 -3.965 1.00 0.57 C ATOM 1472 CZ PHE A 78 -6.295 -6.508 -3.779 1.00 0.52 C ATOM 0 H PHE A 78 -7.721 -7.365 -7.643 1.00 0.39 H new ATOM 0 HA PHE A 78 -10.479 -8.418 -7.788 1.00 0.41 H new ATOM 0 HB2 PHE A 78 -10.602 -7.782 -5.322 1.00 0.44 H new ATOM 0 HB3 PHE A 78 -9.682 -9.229 -5.685 1.00 0.44 H new ATOM 0 HD1 PHE A 78 -7.339 -9.357 -5.203 1.00 0.38 H new ATOM 0 HD2 PHE A 78 -9.399 -5.653 -4.799 1.00 0.51 H new ATOM 0 HE1 PHE A 78 -5.424 -8.427 -3.991 1.00 0.43 H new ATOM 0 HE2 PHE A 78 -7.476 -4.715 -3.591 1.00 0.57 H new ATOM 0 HZ PHE A 78 -5.420 -6.082 -3.311 1.00 0.52 H new ATOM 1482 N GLN A 79 -11.414 -6.053 -7.469 1.00 0.46 N ATOM 1483 CA GLN A 79 -11.885 -4.678 -7.584 1.00 0.51 C ATOM 1484 C GLN A 79 -12.127 -4.091 -6.196 1.00 0.50 C ATOM 1485 O GLN A 79 -12.550 -4.800 -5.280 1.00 0.54 O ATOM 1486 CB GLN A 79 -13.165 -4.622 -8.427 1.00 0.62 C ATOM 1487 CG GLN A 79 -13.687 -3.214 -8.663 1.00 1.00 C ATOM 1488 CD GLN A 79 -14.862 -3.179 -9.620 1.00 1.39 C ATOM 1489 OE1 GLN A 79 -14.964 -4.007 -10.526 1.00 1.95 O ATOM 1490 NE2 GLN A 79 -15.764 -2.235 -9.414 1.00 1.94 N ATOM 0 H GLN A 79 -12.154 -6.751 -7.394 1.00 0.46 H new ATOM 0 HA GLN A 79 -11.121 -4.083 -8.084 1.00 0.51 H new ATOM 0 HB2 GLN A 79 -12.974 -5.094 -9.391 1.00 0.62 H new ATOM 0 HB3 GLN A 79 -13.940 -5.208 -7.932 1.00 0.62 H new ATOM 0 HG2 GLN A 79 -13.986 -2.777 -7.710 1.00 1.00 H new ATOM 0 HG3 GLN A 79 -12.883 -2.594 -9.059 1.00 1.00 H new ATOM 0 HE21 GLN A 79 -15.640 -1.569 -8.651 1.00 1.94 H new ATOM 0 HE22 GLN A 79 -16.584 -2.173 -10.018 1.00 1.94 H new ATOM 1499 N ASP A 80 -11.872 -2.797 -6.048 1.00 0.49 N ATOM 1500 CA ASP A 80 -12.001 -2.134 -4.752 1.00 0.49 C ATOM 1501 C ASP A 80 -12.329 -0.656 -4.951 1.00 0.52 C ATOM 1502 O ASP A 80 -12.231 -0.130 -6.078 1.00 0.63 O ATOM 1503 CB ASP A 80 -10.709 -2.292 -3.935 1.00 0.63 C ATOM 1504 CG ASP A 80 -10.882 -1.947 -2.458 1.00 0.74 C ATOM 1505 OD1 ASP A 80 -12.036 -1.836 -1.996 1.00 1.09 O ATOM 1506 OD2 ASP A 80 -9.863 -1.802 -1.751 1.00 1.26 O ATOM 0 H ASP A 80 -11.575 -2.184 -6.807 1.00 0.49 H new ATOM 0 HA ASP A 80 -12.815 -2.603 -4.199 1.00 0.49 H new ATOM 0 HB2 ASP A 80 -10.356 -3.320 -4.022 1.00 0.63 H new ATOM 0 HB3 ASP A 80 -9.937 -1.652 -4.362 1.00 0.63 H new ATOM 1511 N GLU A 81 -12.713 0.003 -3.856 1.00 0.53 N ATOM 1512 CA GLU A 81 -13.086 1.408 -3.878 1.00 0.65 C ATOM 1513 C GLU A 81 -11.841 2.275 -3.749 1.00 0.63 C ATOM 1514 O GLU A 81 -11.444 2.682 -2.657 1.00 0.82 O ATOM 1515 CB GLU A 81 -14.105 1.727 -2.777 1.00 0.81 C ATOM 1516 CG GLU A 81 -13.678 1.303 -1.382 1.00 1.64 C ATOM 1517 CD GLU A 81 -14.679 1.715 -0.328 1.00 1.78 C ATOM 1518 OE1 GLU A 81 -15.452 0.851 0.139 1.00 2.13 O ATOM 1519 OE2 GLU A 81 -14.699 2.909 0.038 1.00 1.81 O ATOM 0 H GLU A 81 -12.772 -0.427 -2.933 1.00 0.53 H new ATOM 0 HA GLU A 81 -13.564 1.629 -4.832 1.00 0.65 H new ATOM 0 HB2 GLU A 81 -14.295 2.800 -2.775 1.00 0.81 H new ATOM 0 HB3 GLU A 81 -15.048 1.237 -3.019 1.00 0.81 H new ATOM 0 HG2 GLU A 81 -13.551 0.221 -1.356 1.00 1.64 H new ATOM 0 HG3 GLU A 81 -12.708 1.744 -1.151 1.00 1.64 H new ATOM 1526 N ALA A 82 -11.276 2.570 -4.899 1.00 0.61 N ATOM 1527 CA ALA A 82 -9.966 3.183 -5.042 1.00 0.67 C ATOM 1528 C ALA A 82 -9.745 4.408 -4.156 1.00 0.60 C ATOM 1529 O ALA A 82 -10.671 5.175 -3.883 1.00 0.59 O ATOM 1530 CB ALA A 82 -9.808 3.576 -6.492 1.00 0.95 C ATOM 0 H ALA A 82 -11.729 2.385 -5.794 1.00 0.61 H new ATOM 0 HA ALA A 82 -9.223 2.453 -4.721 1.00 0.67 H new ATOM 0 HB1 ALA A 82 -8.833 4.041 -6.639 1.00 0.95 H new ATOM 0 HB2 ALA A 82 -9.885 2.688 -7.120 1.00 0.95 H new ATOM 0 HB3 ALA A 82 -10.592 4.282 -6.765 1.00 0.95 H new ATOM 1536 N LEU A 83 -8.488 4.581 -3.719 1.00 0.60 N ATOM 1537 CA LEU A 83 -8.070 5.804 -3.036 1.00 0.58 C ATOM 1538 C LEU A 83 -8.380 6.991 -3.928 1.00 0.59 C ATOM 1539 O LEU A 83 -8.779 8.056 -3.464 1.00 0.62 O ATOM 1540 CB LEU A 83 -6.559 5.820 -2.724 1.00 0.66 C ATOM 1541 CG LEU A 83 -6.035 4.812 -1.691 1.00 0.64 C ATOM 1542 CD1 LEU A 83 -6.942 4.744 -0.470 1.00 1.10 C ATOM 1543 CD2 LEU A 83 -5.836 3.439 -2.316 1.00 1.34 C ATOM 0 H LEU A 83 -7.748 3.888 -3.829 1.00 0.60 H new ATOM 0 HA LEU A 83 -8.612 5.852 -2.091 1.00 0.58 H new ATOM 0 HB2 LEU A 83 -6.022 5.654 -3.658 1.00 0.66 H new ATOM 0 HB3 LEU A 83 -6.298 6.821 -2.379 1.00 0.66 H new ATOM 0 HG LEU A 83 -5.061 5.163 -1.351 1.00 0.64 H new ATOM 0 HD11 LEU A 83 -6.542 4.021 0.241 1.00 1.10 H new ATOM 0 HD12 LEU A 83 -6.993 5.726 0.001 1.00 1.10 H new ATOM 0 HD13 LEU A 83 -7.942 4.436 -0.776 1.00 1.10 H new ATOM 0 HD21 LEU A 83 -5.464 2.746 -1.561 1.00 1.34 H new ATOM 0 HD22 LEU A 83 -6.787 3.075 -2.706 1.00 1.34 H new ATOM 0 HD23 LEU A 83 -5.114 3.511 -3.129 1.00 1.34 H new ATOM 1555 N ASP A 84 -8.199 6.768 -5.223 1.00 0.60 N ATOM 1556 CA ASP A 84 -8.399 7.805 -6.238 1.00 0.67 C ATOM 1557 C ASP A 84 -9.878 8.022 -6.562 1.00 0.69 C ATOM 1558 O ASP A 84 -10.222 8.503 -7.641 1.00 0.78 O ATOM 1559 CB ASP A 84 -7.594 7.479 -7.509 1.00 0.70 C ATOM 1560 CG ASP A 84 -7.846 6.083 -8.050 1.00 1.09 C ATOM 1561 OD1 ASP A 84 -7.351 5.102 -7.449 1.00 1.55 O ATOM 1562 OD2 ASP A 84 -8.520 5.957 -9.089 1.00 1.39 O ATOM 0 H ASP A 84 -7.910 5.867 -5.603 1.00 0.60 H new ATOM 0 HA ASP A 84 -8.028 8.742 -5.823 1.00 0.67 H new ATOM 0 HB2 ASP A 84 -7.840 8.208 -8.281 1.00 0.70 H new ATOM 0 HB3 ASP A 84 -6.531 7.589 -7.293 1.00 0.70 H new ATOM 1567 N SER A 85 -10.738 7.660 -5.611 1.00 0.67 N ATOM 1568 CA SER A 85 -12.164 7.985 -5.655 1.00 0.74 C ATOM 1569 C SER A 85 -12.867 7.373 -6.866 1.00 0.77 C ATOM 1570 O SER A 85 -13.858 7.914 -7.364 1.00 1.09 O ATOM 1571 CB SER A 85 -12.358 9.504 -5.631 1.00 0.84 C ATOM 1572 OG SER A 85 -11.764 10.069 -4.470 1.00 1.21 O ATOM 0 H SER A 85 -10.464 7.130 -4.784 1.00 0.67 H new ATOM 0 HA SER A 85 -12.624 7.547 -4.769 1.00 0.74 H new ATOM 0 HB2 SER A 85 -11.915 9.946 -6.524 1.00 0.84 H new ATOM 0 HB3 SER A 85 -13.422 9.740 -5.652 1.00 0.84 H new ATOM 0 HG SER A 85 -11.897 11.040 -4.474 1.00 1.21 H new ATOM 1578 N THR A 86 -12.359 6.246 -7.330 1.00 0.67 N ATOM 1579 CA THR A 86 -13.000 5.510 -8.404 1.00 0.67 C ATOM 1580 C THR A 86 -13.174 4.062 -7.997 1.00 0.66 C ATOM 1581 O THR A 86 -12.894 3.687 -6.858 1.00 0.76 O ATOM 1582 CB THR A 86 -12.182 5.557 -9.710 1.00 0.76 C ATOM 1583 OG1 THR A 86 -10.868 5.031 -9.490 1.00 0.86 O ATOM 1584 CG2 THR A 86 -12.095 6.970 -10.252 1.00 0.93 C ATOM 0 H THR A 86 -11.502 5.819 -6.979 1.00 0.67 H new ATOM 0 HA THR A 86 -13.966 5.982 -8.586 1.00 0.67 H new ATOM 0 HB THR A 86 -12.693 4.942 -10.450 1.00 0.76 H new ATOM 0 HG1 THR A 86 -10.204 5.738 -9.634 1.00 0.86 H new ATOM 0 HG21 THR A 86 -11.512 6.971 -11.173 1.00 0.93 H new ATOM 0 HG22 THR A 86 -13.098 7.344 -10.457 1.00 0.93 H new ATOM 0 HG23 THR A 86 -11.612 7.613 -9.516 1.00 0.93 H new ATOM 1592 N GLN A 87 -13.644 3.254 -8.915 1.00 0.68 N ATOM 1593 CA GLN A 87 -13.716 1.824 -8.705 1.00 0.76 C ATOM 1594 C GLN A 87 -12.831 1.159 -9.724 1.00 0.66 C ATOM 1595 O GLN A 87 -13.045 1.329 -10.922 1.00 0.89 O ATOM 1596 CB GLN A 87 -15.142 1.318 -8.885 1.00 1.02 C ATOM 1597 CG GLN A 87 -16.150 2.005 -7.995 1.00 0.98 C ATOM 1598 CD GLN A 87 -16.003 1.636 -6.536 1.00 1.13 C ATOM 1599 OE1 GLN A 87 -16.556 0.636 -6.077 1.00 1.88 O ATOM 1600 NE2 GLN A 87 -15.278 2.448 -5.792 1.00 1.33 N ATOM 0 H GLN A 87 -13.986 3.564 -9.825 1.00 0.68 H new ATOM 0 HA GLN A 87 -13.394 1.593 -7.690 1.00 0.76 H new ATOM 0 HB2 GLN A 87 -15.437 1.455 -9.925 1.00 1.02 H new ATOM 0 HB3 GLN A 87 -15.165 0.247 -8.685 1.00 1.02 H new ATOM 0 HG2 GLN A 87 -16.045 3.085 -8.103 1.00 0.98 H new ATOM 0 HG3 GLN A 87 -17.155 1.748 -8.329 1.00 0.98 H new ATOM 0 HE21 GLN A 87 -14.836 3.266 -6.211 1.00 1.33 H new ATOM 0 HE22 GLN A 87 -15.159 2.258 -4.797 1.00 1.33 H new ATOM 1609 N HIS A 88 -11.827 0.425 -9.293 1.00 0.54 N ATOM 1610 CA HIS A 88 -10.982 -0.229 -10.272 1.00 0.53 C ATOM 1611 C HIS A 88 -10.321 -1.482 -9.747 1.00 0.49 C ATOM 1612 O HIS A 88 -10.346 -1.764 -8.550 1.00 0.51 O ATOM 1613 CB HIS A 88 -9.941 0.726 -10.871 1.00 0.63 C ATOM 1614 CG HIS A 88 -8.996 1.371 -9.908 1.00 0.64 C ATOM 1615 ND1 HIS A 88 -8.009 0.692 -9.221 1.00 0.75 N ATOM 1616 CD2 HIS A 88 -8.865 2.668 -9.565 1.00 1.04 C ATOM 1617 CE1 HIS A 88 -7.313 1.553 -8.500 1.00 0.73 C ATOM 1618 NE2 HIS A 88 -7.811 2.759 -8.695 1.00 0.97 N ATOM 0 H HIS A 88 -11.581 0.269 -8.315 1.00 0.54 H new ATOM 0 HA HIS A 88 -11.655 -0.538 -11.072 1.00 0.53 H new ATOM 0 HB2 HIS A 88 -9.355 0.175 -11.606 1.00 0.63 H new ATOM 0 HB3 HIS A 88 -10.469 1.513 -11.409 1.00 0.63 H new ATOM 0 HD2 HIS A 88 -9.479 3.486 -9.913 1.00 1.04 H new ATOM 0 HE1 HIS A 88 -6.478 1.311 -7.860 1.00 0.73 H new ATOM 0 HE2 HIS A 88 -7.467 3.619 -8.268 1.00 0.97 H new ATOM 1627 N LYS A 89 -9.724 -2.217 -10.674 1.00 0.49 N ATOM 1628 CA LYS A 89 -9.141 -3.508 -10.386 1.00 0.49 C ATOM 1629 C LYS A 89 -7.761 -3.338 -9.782 1.00 0.45 C ATOM 1630 O LYS A 89 -7.089 -2.326 -10.004 1.00 0.50 O ATOM 1631 CB LYS A 89 -9.078 -4.352 -11.662 1.00 0.61 C ATOM 1632 CG LYS A 89 -8.309 -3.693 -12.796 1.00 1.06 C ATOM 1633 CD LYS A 89 -8.472 -4.450 -14.099 1.00 1.08 C ATOM 1634 CE LYS A 89 -7.691 -3.793 -15.223 1.00 1.15 C ATOM 1635 NZ LYS A 89 -7.957 -4.439 -16.532 1.00 1.49 N ATOM 0 H LYS A 89 -9.633 -1.929 -11.648 1.00 0.49 H new ATOM 0 HA LYS A 89 -9.768 -4.027 -9.661 1.00 0.49 H new ATOM 0 HB2 LYS A 89 -8.614 -5.311 -11.430 1.00 0.61 H new ATOM 0 HB3 LYS A 89 -10.093 -4.562 -11.998 1.00 0.61 H new ATOM 0 HG2 LYS A 89 -8.658 -2.668 -12.925 1.00 1.06 H new ATOM 0 HG3 LYS A 89 -7.252 -3.640 -12.536 1.00 1.06 H new ATOM 0 HD2 LYS A 89 -8.132 -5.477 -13.970 1.00 1.08 H new ATOM 0 HD3 LYS A 89 -9.528 -4.495 -14.366 1.00 1.08 H new ATOM 0 HE2 LYS A 89 -7.954 -2.737 -15.279 1.00 1.15 H new ATOM 0 HE3 LYS A 89 -6.625 -3.844 -15.003 1.00 1.15 H new ATOM 0 HZ1 LYS A 89 -7.405 -3.962 -17.273 1.00 1.49 H new ATOM 0 HZ2 LYS A 89 -7.682 -5.441 -16.487 1.00 1.49 H new ATOM 0 HZ3 LYS A 89 -8.970 -4.368 -16.755 1.00 1.49 H new ATOM 1649 N ILE A 90 -7.370 -4.317 -8.995 1.00 0.38 N ATOM 1650 CA ILE A 90 -6.118 -4.285 -8.279 1.00 0.35 C ATOM 1651 C ILE A 90 -5.540 -5.688 -8.175 1.00 0.34 C ATOM 1652 O ILE A 90 -6.176 -6.585 -7.629 1.00 0.46 O ATOM 1653 CB ILE A 90 -6.295 -3.739 -6.851 1.00 0.39 C ATOM 1654 CG1 ILE A 90 -6.895 -2.327 -6.864 1.00 0.47 C ATOM 1655 CG2 ILE A 90 -4.957 -3.757 -6.141 1.00 0.38 C ATOM 1656 CD1 ILE A 90 -7.151 -1.755 -5.486 1.00 0.54 C ATOM 0 H ILE A 90 -7.918 -5.162 -8.834 1.00 0.38 H new ATOM 0 HA ILE A 90 -5.448 -3.629 -8.835 1.00 0.35 H new ATOM 0 HB ILE A 90 -6.995 -4.377 -6.312 1.00 0.39 H new ATOM 0 HG12 ILE A 90 -6.221 -1.662 -7.403 1.00 0.47 H new ATOM 0 HG13 ILE A 90 -7.833 -2.347 -7.418 1.00 0.47 H new ATOM 0 HG21 ILE A 90 -5.077 -3.371 -5.129 1.00 0.38 H new ATOM 0 HG22 ILE A 90 -4.582 -4.780 -6.097 1.00 0.38 H new ATOM 0 HG23 ILE A 90 -4.248 -3.133 -6.685 1.00 0.38 H new ATOM 0 HD11 ILE A 90 -7.575 -0.755 -5.580 1.00 0.54 H new ATOM 0 HD12 ILE A 90 -7.850 -2.397 -4.950 1.00 0.54 H new ATOM 0 HD13 ILE A 90 -6.212 -1.701 -4.935 1.00 0.54 H new ATOM 1668 N THR A 91 -4.348 -5.878 -8.697 1.00 0.30 N ATOM 1669 CA THR A 91 -3.667 -7.146 -8.563 1.00 0.30 C ATOM 1670 C THR A 91 -2.663 -7.090 -7.420 1.00 0.28 C ATOM 1671 O THR A 91 -1.790 -6.222 -7.388 1.00 0.31 O ATOM 1672 CB THR A 91 -2.936 -7.535 -9.861 1.00 0.33 C ATOM 1673 OG1 THR A 91 -3.822 -7.404 -10.983 1.00 0.43 O ATOM 1674 CG2 THR A 91 -2.428 -8.967 -9.782 1.00 0.37 C ATOM 0 H THR A 91 -3.831 -5.170 -9.218 1.00 0.30 H new ATOM 0 HA THR A 91 -4.424 -7.901 -8.352 1.00 0.30 H new ATOM 0 HB THR A 91 -2.086 -6.865 -9.988 1.00 0.33 H new ATOM 0 HG1 THR A 91 -3.348 -7.652 -11.804 1.00 0.43 H new ATOM 0 HG21 THR A 91 -1.914 -9.223 -10.709 1.00 0.37 H new ATOM 0 HG22 THR A 91 -1.736 -9.062 -8.946 1.00 0.37 H new ATOM 0 HG23 THR A 91 -3.270 -9.644 -9.635 1.00 0.37 H new ATOM 1682 N PHE A 92 -2.797 -8.013 -6.485 1.00 0.30 N ATOM 1683 CA PHE A 92 -1.831 -8.140 -5.409 1.00 0.33 C ATOM 1684 C PHE A 92 -0.929 -9.305 -5.723 1.00 0.39 C ATOM 1685 O PHE A 92 -1.407 -10.410 -5.938 1.00 0.50 O ATOM 1686 CB PHE A 92 -2.509 -8.345 -4.056 1.00 0.37 C ATOM 1687 CG PHE A 92 -2.399 -7.152 -3.150 1.00 0.33 C ATOM 1688 CD1 PHE A 92 -2.882 -5.918 -3.546 1.00 0.49 C ATOM 1689 CD2 PHE A 92 -1.807 -7.265 -1.905 1.00 0.40 C ATOM 1690 CE1 PHE A 92 -2.776 -4.820 -2.716 1.00 0.60 C ATOM 1691 CE2 PHE A 92 -1.699 -6.171 -1.069 1.00 0.46 C ATOM 1692 CZ PHE A 92 -2.184 -4.946 -1.476 1.00 0.52 C ATOM 0 H PHE A 92 -3.564 -8.685 -6.449 1.00 0.30 H new ATOM 0 HA PHE A 92 -1.256 -7.217 -5.337 1.00 0.33 H new ATOM 0 HB2 PHE A 92 -3.562 -8.575 -4.216 1.00 0.37 H new ATOM 0 HB3 PHE A 92 -2.065 -9.210 -3.562 1.00 0.37 H new ATOM 0 HD1 PHE A 92 -3.347 -5.812 -4.515 1.00 0.49 H new ATOM 0 HD2 PHE A 92 -1.424 -8.222 -1.582 1.00 0.40 H new ATOM 0 HE1 PHE A 92 -3.157 -3.862 -3.037 1.00 0.60 H new ATOM 0 HE2 PHE A 92 -1.236 -6.275 -0.099 1.00 0.46 H new ATOM 0 HZ PHE A 92 -2.101 -4.088 -0.826 1.00 0.52 H new ATOM 1702 N ASP A 93 0.363 -9.068 -5.763 1.00 0.37 N ATOM 1703 CA ASP A 93 1.288 -10.086 -6.226 1.00 0.43 C ATOM 1704 C ASP A 93 2.577 -10.037 -5.426 1.00 0.36 C ATOM 1705 O ASP A 93 3.080 -8.956 -5.107 1.00 0.39 O ATOM 1706 CB ASP A 93 1.574 -9.884 -7.716 1.00 0.58 C ATOM 1707 CG ASP A 93 2.401 -11.005 -8.312 1.00 0.80 C ATOM 1708 OD1 ASP A 93 1.823 -12.049 -8.668 1.00 1.69 O ATOM 1709 OD2 ASP A 93 3.637 -10.847 -8.416 1.00 1.24 O ATOM 0 H ASP A 93 0.797 -8.188 -5.484 1.00 0.37 H new ATOM 0 HA ASP A 93 0.836 -11.067 -6.082 1.00 0.43 H new ATOM 0 HB2 ASP A 93 0.630 -9.809 -8.256 1.00 0.58 H new ATOM 0 HB3 ASP A 93 2.098 -8.938 -7.856 1.00 0.58 H new ATOM 1714 N LEU A 94 3.093 -11.202 -5.076 1.00 0.42 N ATOM 1715 CA LEU A 94 4.362 -11.286 -4.380 1.00 0.51 C ATOM 1716 C LEU A 94 5.499 -11.324 -5.382 1.00 0.56 C ATOM 1717 O LEU A 94 5.623 -12.268 -6.165 1.00 0.63 O ATOM 1718 CB LEU A 94 4.410 -12.515 -3.467 1.00 0.61 C ATOM 1719 CG LEU A 94 4.251 -12.225 -1.971 1.00 0.64 C ATOM 1720 CD1 LEU A 94 5.417 -11.397 -1.455 1.00 1.02 C ATOM 1721 CD2 LEU A 94 2.939 -11.507 -1.703 1.00 1.12 C ATOM 0 H LEU A 94 2.652 -12.102 -5.263 1.00 0.42 H new ATOM 0 HA LEU A 94 4.470 -10.401 -3.753 1.00 0.51 H new ATOM 0 HB2 LEU A 94 3.623 -13.205 -3.772 1.00 0.61 H new ATOM 0 HB3 LEU A 94 5.360 -13.026 -3.622 1.00 0.61 H new ATOM 0 HG LEU A 94 4.243 -13.177 -1.441 1.00 0.64 H new ATOM 0 HD11 LEU A 94 5.283 -11.203 -0.391 1.00 1.02 H new ATOM 0 HD12 LEU A 94 6.348 -11.943 -1.610 1.00 1.02 H new ATOM 0 HD13 LEU A 94 5.458 -10.450 -1.994 1.00 1.02 H new ATOM 0 HD21 LEU A 94 2.844 -11.310 -0.635 1.00 1.12 H new ATOM 0 HD22 LEU A 94 2.922 -10.564 -2.249 1.00 1.12 H new ATOM 0 HD23 LEU A 94 2.109 -12.132 -2.032 1.00 1.12 H new ATOM 1733 N LYS A 95 6.331 -10.301 -5.341 1.00 0.58 N ATOM 1734 CA LYS A 95 7.426 -10.163 -6.283 1.00 0.66 C ATOM 1735 C LYS A 95 8.658 -10.850 -5.718 1.00 0.69 C ATOM 1736 O LYS A 95 9.270 -11.705 -6.363 1.00 0.78 O ATOM 1737 CB LYS A 95 7.699 -8.677 -6.540 1.00 0.70 C ATOM 1738 CG LYS A 95 8.935 -8.404 -7.379 1.00 0.91 C ATOM 1739 CD LYS A 95 9.104 -6.918 -7.644 1.00 1.61 C ATOM 1740 CE LYS A 95 10.430 -6.619 -8.321 1.00 2.08 C ATOM 1741 NZ LYS A 95 11.584 -6.838 -7.407 1.00 3.03 N ATOM 0 H LYS A 95 6.268 -9.546 -4.658 1.00 0.58 H new ATOM 0 HA LYS A 95 7.166 -10.633 -7.232 1.00 0.66 H new ATOM 0 HB2 LYS A 95 6.833 -8.241 -7.038 1.00 0.70 H new ATOM 0 HB3 LYS A 95 7.805 -8.168 -5.582 1.00 0.70 H new ATOM 0 HG2 LYS A 95 9.817 -8.787 -6.866 1.00 0.91 H new ATOM 0 HG3 LYS A 95 8.860 -8.938 -8.326 1.00 0.91 H new ATOM 0 HD2 LYS A 95 8.286 -6.564 -8.272 1.00 1.61 H new ATOM 0 HD3 LYS A 95 9.043 -6.371 -6.703 1.00 1.61 H new ATOM 0 HE2 LYS A 95 10.539 -7.253 -9.201 1.00 2.08 H new ATOM 0 HE3 LYS A 95 10.434 -5.586 -8.670 1.00 2.08 H new ATOM 0 HZ1 LYS A 95 12.472 -6.688 -7.927 1.00 3.03 H new ATOM 0 HZ2 LYS A 95 11.530 -6.168 -6.613 1.00 3.03 H new ATOM 0 HZ3 LYS A 95 11.557 -7.811 -7.041 1.00 3.03 H new ATOM 1755 N ASP A 96 8.998 -10.475 -4.499 1.00 0.65 N ATOM 1756 CA ASP A 96 10.075 -11.103 -3.761 1.00 0.70 C ATOM 1757 C ASP A 96 9.579 -11.374 -2.352 1.00 0.65 C ATOM 1758 O ASP A 96 8.564 -10.816 -1.942 1.00 0.60 O ATOM 1759 CB ASP A 96 11.305 -10.191 -3.707 1.00 0.76 C ATOM 1760 CG ASP A 96 11.880 -9.869 -5.072 1.00 1.09 C ATOM 1761 OD1 ASP A 96 11.580 -8.782 -5.606 1.00 1.03 O ATOM 1762 OD2 ASP A 96 12.643 -10.696 -5.611 1.00 1.79 O ATOM 0 H ASP A 96 8.532 -9.723 -3.992 1.00 0.65 H new ATOM 0 HA ASP A 96 10.366 -12.030 -4.256 1.00 0.70 H new ATOM 0 HB2 ASP A 96 11.036 -9.261 -3.206 1.00 0.76 H new ATOM 0 HB3 ASP A 96 12.075 -10.668 -3.101 1.00 0.76 H new ATOM 1767 N PRO A 97 10.283 -12.209 -1.574 1.00 0.73 N ATOM 1768 CA PRO A 97 9.899 -12.515 -0.193 1.00 0.76 C ATOM 1769 C PRO A 97 10.148 -11.324 0.729 1.00 0.66 C ATOM 1770 O PRO A 97 9.971 -11.407 1.941 1.00 0.73 O ATOM 1771 CB PRO A 97 10.808 -13.698 0.187 1.00 0.91 C ATOM 1772 CG PRO A 97 11.421 -14.152 -1.097 1.00 0.98 C ATOM 1773 CD PRO A 97 11.501 -12.928 -1.957 1.00 0.87 C ATOM 0 HA PRO A 97 8.838 -12.745 -0.097 1.00 0.76 H new ATOM 0 HB2 PRO A 97 11.572 -13.393 0.902 1.00 0.91 H new ATOM 0 HB3 PRO A 97 10.236 -14.499 0.655 1.00 0.91 H new ATOM 0 HG2 PRO A 97 12.410 -14.580 -0.930 1.00 0.98 H new ATOM 0 HG3 PRO A 97 10.815 -14.925 -1.570 1.00 0.98 H new ATOM 0 HD2 PRO A 97 12.400 -12.345 -1.755 1.00 0.87 H new ATOM 0 HD3 PRO A 97 11.513 -13.175 -3.019 1.00 0.87 H new ATOM 1781 N ASN A 98 10.566 -10.220 0.128 1.00 0.57 N ATOM 1782 CA ASN A 98 10.816 -8.984 0.848 1.00 0.55 C ATOM 1783 C ASN A 98 10.048 -7.842 0.183 1.00 0.46 C ATOM 1784 O ASN A 98 10.109 -6.697 0.632 1.00 0.50 O ATOM 1785 CB ASN A 98 12.320 -8.677 0.851 1.00 0.68 C ATOM 1786 CG ASN A 98 12.705 -7.521 1.763 1.00 1.38 C ATOM 1787 OD1 ASN A 98 13.572 -6.715 1.425 1.00 2.32 O ATOM 1788 ND2 ASN A 98 12.103 -7.454 2.941 1.00 1.91 N ATOM 0 H ASN A 98 10.741 -10.158 -0.875 1.00 0.57 H new ATOM 0 HA ASN A 98 10.477 -9.090 1.879 1.00 0.55 H new ATOM 0 HB2 ASN A 98 12.864 -9.570 1.161 1.00 0.68 H new ATOM 0 HB3 ASN A 98 12.637 -8.447 -0.166 1.00 0.68 H new ATOM 0 HD21 ASN A 98 12.354 -6.718 3.601 1.00 1.91 H new ATOM 0 HD22 ASN A 98 11.389 -8.139 3.188 1.00 1.91 H new ATOM 1795 N THR A 99 9.304 -8.167 -0.876 1.00 0.43 N ATOM 1796 CA THR A 99 8.608 -7.150 -1.652 1.00 0.39 C ATOM 1797 C THR A 99 7.244 -7.640 -2.150 1.00 0.33 C ATOM 1798 O THR A 99 7.155 -8.478 -3.054 1.00 0.37 O ATOM 1799 CB THR A 99 9.445 -6.698 -2.866 1.00 0.48 C ATOM 1800 OG1 THR A 99 10.771 -6.343 -2.450 1.00 0.56 O ATOM 1801 CG2 THR A 99 8.793 -5.506 -3.553 1.00 0.51 C ATOM 0 H THR A 99 9.171 -9.121 -1.211 1.00 0.43 H new ATOM 0 HA THR A 99 8.456 -6.307 -0.978 1.00 0.39 H new ATOM 0 HB THR A 99 9.497 -7.528 -3.571 1.00 0.48 H new ATOM 0 HG1 THR A 99 11.293 -6.059 -3.229 1.00 0.56 H new ATOM 0 HG21 THR A 99 9.399 -5.202 -4.407 1.00 0.51 H new ATOM 0 HG22 THR A 99 7.796 -5.784 -3.896 1.00 0.51 H new ATOM 0 HG23 THR A 99 8.717 -4.677 -2.849 1.00 0.51 H new ATOM 1809 N LEU A 100 6.193 -7.110 -1.546 1.00 0.28 N ATOM 1810 CA LEU A 100 4.824 -7.341 -1.996 1.00 0.26 C ATOM 1811 C LEU A 100 4.469 -6.220 -2.973 1.00 0.27 C ATOM 1812 O LEU A 100 4.907 -5.098 -2.782 1.00 0.34 O ATOM 1813 CB LEU A 100 3.894 -7.316 -0.769 1.00 0.28 C ATOM 1814 CG LEU A 100 2.554 -8.058 -0.878 1.00 0.45 C ATOM 1815 CD1 LEU A 100 1.827 -8.004 0.454 1.00 1.10 C ATOM 1816 CD2 LEU A 100 1.667 -7.474 -1.965 1.00 1.10 C ATOM 0 H LEU A 100 6.262 -6.505 -0.727 1.00 0.28 H new ATOM 0 HA LEU A 100 4.716 -8.306 -2.491 1.00 0.26 H new ATOM 0 HB2 LEU A 100 4.441 -7.733 0.076 1.00 0.28 H new ATOM 0 HB3 LEU A 100 3.683 -6.274 -0.529 1.00 0.28 H new ATOM 0 HG LEU A 100 2.771 -9.092 -1.145 1.00 0.45 H new ATOM 0 HD11 LEU A 100 0.877 -8.532 0.372 1.00 1.10 H new ATOM 0 HD12 LEU A 100 2.439 -8.477 1.222 1.00 1.10 H new ATOM 0 HD13 LEU A 100 1.642 -6.965 0.726 1.00 1.10 H new ATOM 0 HD21 LEU A 100 0.730 -8.029 -2.007 1.00 1.10 H new ATOM 0 HD22 LEU A 100 1.459 -6.428 -1.742 1.00 1.10 H new ATOM 0 HD23 LEU A 100 2.175 -7.546 -2.927 1.00 1.10 H new ATOM 1828 N THR A 101 3.712 -6.486 -4.025 1.00 0.29 N ATOM 1829 CA THR A 101 3.386 -5.423 -4.968 1.00 0.31 C ATOM 1830 C THR A 101 1.884 -5.281 -5.190 1.00 0.30 C ATOM 1831 O THR A 101 1.152 -6.273 -5.227 1.00 0.31 O ATOM 1832 CB THR A 101 4.082 -5.633 -6.327 1.00 0.36 C ATOM 1833 OG1 THR A 101 3.829 -6.954 -6.826 1.00 0.36 O ATOM 1834 CG2 THR A 101 5.578 -5.413 -6.203 1.00 0.41 C ATOM 0 H THR A 101 3.320 -7.401 -4.246 1.00 0.29 H new ATOM 0 HA THR A 101 3.755 -4.503 -4.515 1.00 0.31 H new ATOM 0 HB THR A 101 3.674 -4.905 -7.028 1.00 0.36 H new ATOM 0 HG1 THR A 101 3.529 -7.529 -6.091 1.00 0.36 H new ATOM 0 HG21 THR A 101 6.050 -5.566 -7.174 1.00 0.41 H new ATOM 0 HG22 THR A 101 5.769 -4.395 -5.863 1.00 0.41 H new ATOM 0 HG23 THR A 101 5.991 -6.119 -5.483 1.00 0.41 H new ATOM 1842 N GLU A 102 1.442 -4.035 -5.319 1.00 0.31 N ATOM 1843 CA GLU A 102 0.065 -3.737 -5.690 1.00 0.33 C ATOM 1844 C GLU A 102 0.031 -3.118 -7.076 1.00 0.35 C ATOM 1845 O GLU A 102 0.470 -1.983 -7.268 1.00 0.40 O ATOM 1846 CB GLU A 102 -0.607 -2.773 -4.699 1.00 0.39 C ATOM 1847 CG GLU A 102 -1.984 -2.307 -5.176 1.00 0.56 C ATOM 1848 CD GLU A 102 -2.698 -1.377 -4.210 1.00 0.70 C ATOM 1849 OE1 GLU A 102 -3.465 -1.869 -3.356 1.00 1.31 O ATOM 1850 OE2 GLU A 102 -2.531 -0.149 -4.338 1.00 0.98 O ATOM 0 H GLU A 102 2.023 -3.210 -5.171 1.00 0.31 H new ATOM 0 HA GLU A 102 -0.485 -4.678 -5.675 1.00 0.33 H new ATOM 0 HB2 GLU A 102 -0.709 -3.265 -3.731 1.00 0.39 H new ATOM 0 HB3 GLU A 102 0.035 -1.905 -4.550 1.00 0.39 H new ATOM 0 HG2 GLU A 102 -1.871 -1.800 -6.134 1.00 0.56 H new ATOM 0 HG3 GLU A 102 -2.611 -3.182 -5.350 1.00 0.56 H new ATOM 1857 N THR A 103 -0.477 -3.861 -8.038 1.00 0.36 N ATOM 1858 CA THR A 103 -0.648 -3.345 -9.378 1.00 0.39 C ATOM 1859 C THR A 103 -2.112 -3.014 -9.596 1.00 0.39 C ATOM 1860 O THR A 103 -2.928 -3.900 -9.833 1.00 0.42 O ATOM 1861 CB THR A 103 -0.186 -4.362 -10.437 1.00 0.43 C ATOM 1862 OG1 THR A 103 1.172 -4.748 -10.182 1.00 0.51 O ATOM 1863 CG2 THR A 103 -0.296 -3.779 -11.841 1.00 0.46 C ATOM 0 H THR A 103 -0.779 -4.827 -7.915 1.00 0.36 H new ATOM 0 HA THR A 103 -0.035 -2.450 -9.484 1.00 0.39 H new ATOM 0 HB THR A 103 -0.834 -5.236 -10.374 1.00 0.43 H new ATOM 0 HG1 THR A 103 1.460 -5.396 -10.858 1.00 0.51 H new ATOM 0 HG21 THR A 103 0.037 -4.519 -12.569 1.00 0.46 H new ATOM 0 HG22 THR A 103 -1.333 -3.511 -12.044 1.00 0.46 H new ATOM 0 HG23 THR A 103 0.329 -2.889 -11.916 1.00 0.46 H new ATOM 1871 N HIS A 104 -2.449 -1.743 -9.509 1.00 0.40 N ATOM 1872 CA HIS A 104 -3.840 -1.340 -9.589 1.00 0.45 C ATOM 1873 C HIS A 104 -4.105 -0.569 -10.878 1.00 0.40 C ATOM 1874 O HIS A 104 -3.300 0.275 -11.297 1.00 0.48 O ATOM 1875 CB HIS A 104 -4.277 -0.557 -8.332 1.00 0.70 C ATOM 1876 CG HIS A 104 -3.378 0.572 -7.919 1.00 0.62 C ATOM 1877 ND1 HIS A 104 -3.248 1.000 -6.617 1.00 1.17 N ATOM 1878 CD2 HIS A 104 -2.606 1.389 -8.651 1.00 1.22 C ATOM 1879 CE1 HIS A 104 -2.443 2.042 -6.576 1.00 1.60 C ATOM 1880 NE2 HIS A 104 -2.036 2.303 -7.799 1.00 1.69 N ATOM 0 H HIS A 104 -1.787 -0.977 -9.384 1.00 0.40 H new ATOM 0 HA HIS A 104 -4.455 -2.240 -9.619 1.00 0.45 H new ATOM 0 HB2 HIS A 104 -5.276 -0.156 -8.506 1.00 0.70 H new ATOM 0 HB3 HIS A 104 -4.355 -1.257 -7.500 1.00 0.70 H new ATOM 0 HD2 HIS A 104 -2.459 1.337 -9.720 1.00 1.22 H new ATOM 0 HE1 HIS A 104 -2.164 2.590 -5.688 1.00 1.60 H new ATOM 0 HE2 HIS A 104 -1.404 3.057 -8.069 1.00 1.69 H new ATOM 1889 N ILE A 105 -5.222 -0.909 -11.525 1.00 0.45 N ATOM 1890 CA ILE A 105 -5.548 -0.387 -12.849 1.00 0.52 C ATOM 1891 C ILE A 105 -7.023 -0.001 -12.945 1.00 0.54 C ATOM 1892 O ILE A 105 -7.896 -0.709 -12.438 1.00 0.55 O ATOM 1893 CB ILE A 105 -5.262 -1.448 -13.929 1.00 0.61 C ATOM 1894 CG1 ILE A 105 -3.838 -1.980 -13.786 1.00 0.65 C ATOM 1895 CG2 ILE A 105 -5.486 -0.877 -15.325 1.00 0.72 C ATOM 1896 CD1 ILE A 105 -3.507 -3.063 -14.782 1.00 0.75 C ATOM 0 H ILE A 105 -5.920 -1.550 -11.147 1.00 0.45 H new ATOM 0 HA ILE A 105 -4.929 0.496 -13.008 1.00 0.52 H new ATOM 0 HB ILE A 105 -5.957 -2.276 -13.789 1.00 0.61 H new ATOM 0 HG12 ILE A 105 -3.135 -1.156 -13.908 1.00 0.65 H new ATOM 0 HG13 ILE A 105 -3.702 -2.369 -12.777 1.00 0.65 H new ATOM 0 HG21 ILE A 105 -5.278 -1.645 -16.070 1.00 0.72 H new ATOM 0 HG22 ILE A 105 -6.521 -0.549 -15.422 1.00 0.72 H new ATOM 0 HG23 ILE A 105 -4.820 -0.029 -15.482 1.00 0.72 H new ATOM 0 HD11 ILE A 105 -2.481 -3.398 -14.628 1.00 0.75 H new ATOM 0 HD12 ILE A 105 -4.188 -3.903 -14.646 1.00 0.75 H new ATOM 0 HD13 ILE A 105 -3.612 -2.671 -15.794 1.00 0.75 H new ATOM 1908 N LYS A 106 -7.286 1.138 -13.573 1.00 0.59 N ATOM 1909 CA LYS A 106 -8.653 1.580 -13.853 1.00 0.63 C ATOM 1910 C LYS A 106 -9.411 0.573 -14.716 1.00 0.67 C ATOM 1911 O LYS A 106 -8.965 0.205 -15.799 1.00 0.70 O ATOM 1912 CB LYS A 106 -8.638 2.923 -14.578 1.00 0.73 C ATOM 1913 CG LYS A 106 -8.079 4.081 -13.770 1.00 0.81 C ATOM 1914 CD LYS A 106 -9.137 4.738 -12.913 1.00 1.05 C ATOM 1915 CE LYS A 106 -8.660 6.083 -12.379 1.00 1.47 C ATOM 1916 NZ LYS A 106 -7.473 5.963 -11.492 1.00 1.61 N ATOM 0 H LYS A 106 -6.565 1.780 -13.902 1.00 0.59 H new ATOM 0 HA LYS A 106 -9.160 1.672 -12.892 1.00 0.63 H new ATOM 0 HB2 LYS A 106 -8.051 2.820 -15.491 1.00 0.73 H new ATOM 0 HB3 LYS A 106 -9.656 3.168 -14.879 1.00 0.73 H new ATOM 0 HG2 LYS A 106 -7.270 3.722 -13.134 1.00 0.81 H new ATOM 0 HG3 LYS A 106 -7.650 4.820 -14.446 1.00 0.81 H new ATOM 0 HD2 LYS A 106 -10.046 4.878 -13.498 1.00 1.05 H new ATOM 0 HD3 LYS A 106 -9.392 4.083 -12.080 1.00 1.05 H new ATOM 0 HE2 LYS A 106 -8.417 6.736 -13.217 1.00 1.47 H new ATOM 0 HE3 LYS A 106 -9.472 6.559 -11.829 1.00 1.47 H new ATOM 0 HZ1 LYS A 106 -7.060 6.904 -11.336 1.00 1.61 H new ATOM 0 HZ2 LYS A 106 -7.761 5.556 -10.579 1.00 1.61 H new ATOM 0 HZ3 LYS A 106 -6.767 5.344 -11.939 1.00 1.61 H new ATOM 1930 N VAL A 107 -10.555 0.120 -14.209 1.00 0.70 N ATOM 1931 CA VAL A 107 -11.470 -0.702 -14.996 1.00 0.78 C ATOM 1932 C VAL A 107 -12.096 0.126 -16.108 1.00 0.86 C ATOM 1933 O VAL A 107 -12.468 -0.393 -17.157 1.00 0.92 O ATOM 1934 CB VAL A 107 -12.585 -1.319 -14.128 1.00 0.85 C ATOM 1935 CG1 VAL A 107 -11.988 -2.117 -12.992 1.00 1.32 C ATOM 1936 CG2 VAL A 107 -13.526 -0.255 -13.586 1.00 1.11 C ATOM 0 H VAL A 107 -10.870 0.308 -13.257 1.00 0.70 H new ATOM 0 HA VAL A 107 -10.885 -1.516 -15.423 1.00 0.78 H new ATOM 0 HB VAL A 107 -13.167 -1.986 -14.764 1.00 0.85 H new ATOM 0 HG11 VAL A 107 -12.788 -2.546 -12.389 1.00 1.32 H new ATOM 0 HG12 VAL A 107 -11.369 -2.918 -13.396 1.00 1.32 H new ATOM 0 HG13 VAL A 107 -11.376 -1.463 -12.371 1.00 1.32 H new ATOM 0 HG21 VAL A 107 -14.299 -0.727 -12.979 1.00 1.11 H new ATOM 0 HG22 VAL A 107 -12.964 0.450 -12.973 1.00 1.11 H new ATOM 0 HG23 VAL A 107 -13.991 0.276 -14.416 1.00 1.11 H new ATOM 1946 N ASP A 108 -12.205 1.419 -15.858 1.00 0.89 N ATOM 1947 CA ASP A 108 -12.735 2.354 -16.838 1.00 1.00 C ATOM 1948 C ASP A 108 -11.726 2.559 -17.960 1.00 0.97 C ATOM 1949 O ASP A 108 -11.943 2.146 -19.099 1.00 1.06 O ATOM 1950 CB ASP A 108 -13.053 3.699 -16.177 1.00 1.05 C ATOM 1951 CG ASP A 108 -14.172 3.617 -15.156 1.00 1.84 C ATOM 1952 OD1 ASP A 108 -13.951 3.065 -14.059 1.00 2.47 O ATOM 1953 OD2 ASP A 108 -15.276 4.135 -15.439 1.00 2.50 O ATOM 0 H ASP A 108 -11.931 1.850 -14.975 1.00 0.89 H new ATOM 0 HA ASP A 108 -13.654 1.939 -17.251 1.00 1.00 H new ATOM 0 HB2 ASP A 108 -12.154 4.078 -15.691 1.00 1.05 H new ATOM 0 HB3 ASP A 108 -13.326 4.419 -16.948 1.00 1.05 H new ATOM 1958 N ASP A 109 -10.616 3.190 -17.614 1.00 0.91 N ATOM 1959 CA ASP A 109 -9.540 3.449 -18.556 1.00 0.92 C ATOM 1960 C ASP A 109 -8.233 2.872 -18.030 1.00 0.84 C ATOM 1961 O ASP A 109 -7.501 3.515 -17.278 1.00 0.85 O ATOM 1962 CB ASP A 109 -9.405 4.956 -18.847 1.00 1.03 C ATOM 1963 CG ASP A 109 -9.292 5.814 -17.594 1.00 1.63 C ATOM 1964 OD1 ASP A 109 -8.203 6.381 -17.353 1.00 2.39 O ATOM 1965 OD2 ASP A 109 -10.278 5.895 -16.825 1.00 1.94 O ATOM 0 H ASP A 109 -10.436 3.537 -16.672 1.00 0.91 H new ATOM 0 HA ASP A 109 -9.781 2.956 -19.498 1.00 0.92 H new ATOM 0 HB2 ASP A 109 -8.525 5.119 -19.469 1.00 1.03 H new ATOM 0 HB3 ASP A 109 -10.269 5.284 -19.425 1.00 1.03 H new ATOM 1970 N PRO A 110 -7.932 1.631 -18.436 1.00 0.80 N ATOM 1971 CA PRO A 110 -6.763 0.875 -17.963 1.00 0.78 C ATOM 1972 C PRO A 110 -5.427 1.462 -18.408 1.00 0.86 C ATOM 1973 O PRO A 110 -4.390 0.799 -18.336 1.00 0.90 O ATOM 1974 CB PRO A 110 -6.965 -0.505 -18.583 1.00 0.80 C ATOM 1975 CG PRO A 110 -7.803 -0.254 -19.781 1.00 0.84 C ATOM 1976 CD PRO A 110 -8.731 0.850 -19.391 1.00 0.83 C ATOM 0 HA PRO A 110 -6.708 0.881 -16.874 1.00 0.78 H new ATOM 0 HB2 PRO A 110 -6.013 -0.962 -18.853 1.00 0.80 H new ATOM 0 HB3 PRO A 110 -7.459 -1.184 -17.888 1.00 0.80 H new ATOM 0 HG2 PRO A 110 -7.190 0.031 -20.636 1.00 0.84 H new ATOM 0 HG3 PRO A 110 -8.355 -1.149 -20.069 1.00 0.84 H new ATOM 0 HD2 PRO A 110 -9.030 1.449 -20.251 1.00 0.83 H new ATOM 0 HD3 PRO A 110 -9.644 0.468 -18.935 1.00 0.83 H new ATOM 1984 N THR A 111 -5.457 2.690 -18.889 1.00 0.93 N ATOM 1985 CA THR A 111 -4.246 3.415 -19.188 1.00 1.05 C ATOM 1986 C THR A 111 -3.624 3.915 -17.895 1.00 0.94 C ATOM 1987 O THR A 111 -2.425 4.183 -17.825 1.00 0.98 O ATOM 1988 CB THR A 111 -4.536 4.584 -20.138 1.00 1.30 C ATOM 1989 OG1 THR A 111 -5.611 5.381 -19.624 1.00 1.33 O ATOM 1990 CG2 THR A 111 -4.910 4.056 -21.509 1.00 1.47 C ATOM 0 H THR A 111 -6.316 3.206 -19.081 1.00 0.93 H new ATOM 0 HA THR A 111 -3.543 2.747 -19.686 1.00 1.05 H new ATOM 0 HB THR A 111 -3.640 5.199 -20.220 1.00 1.30 H new ATOM 0 HG1 THR A 111 -5.788 6.126 -20.236 1.00 1.33 H new ATOM 0 HG21 THR A 111 -5.114 4.892 -22.178 1.00 1.47 H new ATOM 0 HG22 THR A 111 -4.086 3.465 -21.909 1.00 1.47 H new ATOM 0 HG23 THR A 111 -5.799 3.431 -21.428 1.00 1.47 H new ATOM 1998 N ASP A 112 -4.459 4.030 -16.866 1.00 0.86 N ATOM 1999 CA ASP A 112 -3.988 4.343 -15.526 1.00 0.86 C ATOM 2000 C ASP A 112 -3.418 3.087 -14.877 1.00 0.79 C ATOM 2001 O ASP A 112 -4.147 2.296 -14.275 1.00 1.18 O ATOM 2002 CB ASP A 112 -5.138 4.895 -14.689 1.00 1.05 C ATOM 2003 CG ASP A 112 -4.730 5.290 -13.282 1.00 1.29 C ATOM 2004 OD1 ASP A 112 -5.249 4.688 -12.314 1.00 1.59 O ATOM 2005 OD2 ASP A 112 -3.917 6.222 -13.138 1.00 1.40 O ATOM 0 H ASP A 112 -5.469 3.910 -16.938 1.00 0.86 H new ATOM 0 HA ASP A 112 -3.204 5.098 -15.585 1.00 0.86 H new ATOM 0 HB2 ASP A 112 -5.559 5.764 -15.194 1.00 1.05 H new ATOM 0 HB3 ASP A 112 -5.928 4.146 -14.633 1.00 1.05 H new ATOM 2010 N VAL A 113 -2.118 2.900 -15.038 1.00 0.66 N ATOM 2011 CA VAL A 113 -1.431 1.744 -14.501 1.00 0.68 C ATOM 2012 C VAL A 113 -0.398 2.154 -13.480 1.00 0.60 C ATOM 2013 O VAL A 113 0.489 2.954 -13.771 1.00 0.79 O ATOM 2014 CB VAL A 113 -0.739 0.928 -15.596 1.00 0.86 C ATOM 2015 CG1 VAL A 113 -1.673 -0.145 -16.087 1.00 1.60 C ATOM 2016 CG2 VAL A 113 -0.289 1.818 -16.742 1.00 1.23 C ATOM 0 H VAL A 113 -1.513 3.546 -15.544 1.00 0.66 H new ATOM 0 HA VAL A 113 -2.194 1.125 -14.029 1.00 0.68 H new ATOM 0 HB VAL A 113 0.153 0.462 -15.176 1.00 0.86 H new ATOM 0 HG11 VAL A 113 -1.181 -0.727 -16.867 1.00 1.60 H new ATOM 0 HG12 VAL A 113 -1.941 -0.801 -15.259 1.00 1.60 H new ATOM 0 HG13 VAL A 113 -2.575 0.315 -16.491 1.00 1.60 H new ATOM 0 HG21 VAL A 113 0.199 1.211 -17.504 1.00 1.23 H new ATOM 0 HG22 VAL A 113 -1.155 2.318 -17.176 1.00 1.23 H new ATOM 0 HG23 VAL A 113 0.412 2.565 -16.369 1.00 1.23 H new ATOM 2026 N GLU A 114 -0.503 1.604 -12.288 1.00 0.45 N ATOM 2027 CA GLU A 114 0.411 1.990 -11.221 1.00 0.47 C ATOM 2028 C GLU A 114 0.690 0.830 -10.276 1.00 0.44 C ATOM 2029 O GLU A 114 -0.179 -0.016 -10.037 1.00 0.48 O ATOM 2030 CB GLU A 114 -0.175 3.175 -10.457 1.00 0.64 C ATOM 2031 CG GLU A 114 0.748 3.774 -9.412 1.00 0.96 C ATOM 2032 CD GLU A 114 0.097 4.934 -8.701 1.00 1.94 C ATOM 2033 OE1 GLU A 114 -1.042 4.788 -8.215 1.00 2.78 O ATOM 2034 OE2 GLU A 114 0.744 5.995 -8.601 1.00 2.10 O ATOM 0 H GLU A 114 -1.196 0.901 -12.031 1.00 0.45 H new ATOM 0 HA GLU A 114 1.362 2.278 -11.668 1.00 0.47 H new ATOM 0 HB2 GLU A 114 -0.446 3.952 -11.171 1.00 0.64 H new ATOM 0 HB3 GLU A 114 -1.096 2.856 -9.969 1.00 0.64 H new ATOM 0 HG2 GLU A 114 1.023 3.009 -8.686 1.00 0.96 H new ATOM 0 HG3 GLU A 114 1.670 4.108 -9.888 1.00 0.96 H new ATOM 2041 N THR A 115 1.903 0.799 -9.741 1.00 0.45 N ATOM 2042 CA THR A 115 2.316 -0.249 -8.829 1.00 0.45 C ATOM 2043 C THR A 115 3.063 0.333 -7.628 1.00 0.44 C ATOM 2044 O THR A 115 4.018 1.094 -7.782 1.00 0.51 O ATOM 2045 CB THR A 115 3.228 -1.275 -9.541 1.00 0.49 C ATOM 2046 OG1 THR A 115 2.592 -1.764 -10.732 1.00 0.53 O ATOM 2047 CG2 THR A 115 3.554 -2.448 -8.625 1.00 0.53 C ATOM 0 H THR A 115 2.622 1.498 -9.928 1.00 0.45 H new ATOM 0 HA THR A 115 1.412 -0.750 -8.482 1.00 0.45 H new ATOM 0 HB THR A 115 4.156 -0.768 -9.804 1.00 0.49 H new ATOM 0 HG1 THR A 115 2.185 -2.637 -10.551 1.00 0.53 H new ATOM 0 HG21 THR A 115 4.197 -3.153 -9.152 1.00 0.53 H new ATOM 0 HG22 THR A 115 4.068 -2.083 -7.736 1.00 0.53 H new ATOM 0 HG23 THR A 115 2.631 -2.948 -8.331 1.00 0.53 H new ATOM 2055 N TYR A 116 2.610 -0.026 -6.439 1.00 0.41 N ATOM 2056 CA TYR A 116 3.330 0.303 -5.214 1.00 0.43 C ATOM 2057 C TYR A 116 3.970 -0.976 -4.713 1.00 0.38 C ATOM 2058 O TYR A 116 3.475 -2.064 -5.021 1.00 0.39 O ATOM 2059 CB TYR A 116 2.413 0.875 -4.126 1.00 0.54 C ATOM 2060 CG TYR A 116 1.622 2.100 -4.531 1.00 0.57 C ATOM 2061 CD1 TYR A 116 2.160 3.070 -5.368 1.00 0.79 C ATOM 2062 CD2 TYR A 116 0.329 2.286 -4.058 1.00 0.80 C ATOM 2063 CE1 TYR A 116 1.428 4.185 -5.724 1.00 0.87 C ATOM 2064 CE2 TYR A 116 -0.406 3.400 -4.409 1.00 0.91 C ATOM 2065 CZ TYR A 116 0.147 4.346 -5.241 1.00 0.80 C ATOM 2066 OH TYR A 116 -0.584 5.453 -5.598 1.00 0.96 O ATOM 0 H TYR A 116 1.745 -0.547 -6.293 1.00 0.41 H new ATOM 0 HA TYR A 116 4.069 1.073 -5.435 1.00 0.43 H new ATOM 0 HB2 TYR A 116 1.715 0.097 -3.815 1.00 0.54 H new ATOM 0 HB3 TYR A 116 3.020 1.125 -3.256 1.00 0.54 H new ATOM 0 HD1 TYR A 116 3.165 2.950 -5.745 1.00 0.79 H new ATOM 0 HD2 TYR A 116 -0.108 1.546 -3.404 1.00 0.80 H new ATOM 0 HE1 TYR A 116 1.858 4.929 -6.379 1.00 0.87 H new ATOM 0 HE2 TYR A 116 -1.410 3.529 -4.033 1.00 0.91 H new ATOM 0 HH TYR A 116 -0.937 5.334 -6.504 1.00 0.96 H new ATOM 2076 N GLU A 117 5.044 -0.888 -3.944 1.00 0.37 N ATOM 2077 CA GLU A 117 5.750 -2.075 -3.512 1.00 0.35 C ATOM 2078 C GLU A 117 5.954 -1.997 -2.004 1.00 0.34 C ATOM 2079 O GLU A 117 6.384 -0.969 -1.486 1.00 0.44 O ATOM 2080 CB GLU A 117 7.106 -2.177 -4.219 1.00 0.44 C ATOM 2081 CG GLU A 117 7.035 -1.968 -5.726 1.00 0.92 C ATOM 2082 CD GLU A 117 8.395 -2.021 -6.388 1.00 0.83 C ATOM 2083 OE1 GLU A 117 8.762 -3.088 -6.928 1.00 1.27 O ATOM 2084 OE2 GLU A 117 9.105 -0.997 -6.378 1.00 1.18 O ATOM 0 H GLU A 117 5.441 -0.010 -3.610 1.00 0.37 H new ATOM 0 HA GLU A 117 5.166 -2.960 -3.765 1.00 0.35 H new ATOM 0 HB2 GLU A 117 7.784 -1.438 -3.791 1.00 0.44 H new ATOM 0 HB3 GLU A 117 7.536 -3.158 -4.018 1.00 0.44 H new ATOM 0 HG2 GLU A 117 6.392 -2.731 -6.165 1.00 0.92 H new ATOM 0 HG3 GLU A 117 6.572 -1.003 -5.933 1.00 0.92 H new ATOM 2091 N TYR A 118 5.615 -3.061 -1.307 1.00 0.29 N ATOM 2092 CA TYR A 118 5.751 -3.114 0.135 1.00 0.29 C ATOM 2093 C TYR A 118 6.991 -3.913 0.507 1.00 0.31 C ATOM 2094 O TYR A 118 6.997 -5.141 0.422 1.00 0.41 O ATOM 2095 CB TYR A 118 4.511 -3.750 0.768 1.00 0.32 C ATOM 2096 CG TYR A 118 3.203 -3.120 0.333 1.00 0.35 C ATOM 2097 CD1 TYR A 118 2.856 -1.837 0.743 1.00 0.50 C ATOM 2098 CD2 TYR A 118 2.320 -3.798 -0.494 1.00 0.47 C ATOM 2099 CE1 TYR A 118 1.675 -1.259 0.339 1.00 0.58 C ATOM 2100 CE2 TYR A 118 1.144 -3.227 -0.896 1.00 0.52 C ATOM 2101 CZ TYR A 118 0.806 -1.978 -0.440 1.00 0.50 C ATOM 2102 OH TYR A 118 -0.343 -1.412 -0.891 1.00 0.60 O ATOM 0 H TYR A 118 5.238 -3.913 -1.722 1.00 0.29 H new ATOM 0 HA TYR A 118 5.851 -2.097 0.514 1.00 0.29 H new ATOM 0 HB2 TYR A 118 4.492 -4.811 0.518 1.00 0.32 H new ATOM 0 HB3 TYR A 118 4.593 -3.680 1.853 1.00 0.32 H new ATOM 0 HD1 TYR A 118 3.524 -1.286 1.388 1.00 0.50 H new ATOM 0 HD2 TYR A 118 2.566 -4.796 -0.827 1.00 0.47 H new ATOM 0 HE1 TYR A 118 1.435 -0.248 0.633 1.00 0.58 H new ATOM 0 HE2 TYR A 118 0.485 -3.756 -1.569 1.00 0.52 H new ATOM 0 HH TYR A 118 -0.839 -2.063 -1.429 1.00 0.60 H new ATOM 2112 N ARG A 119 8.041 -3.207 0.889 1.00 0.31 N ATOM 2113 CA ARG A 119 9.290 -3.835 1.286 1.00 0.35 C ATOM 2114 C ARG A 119 9.419 -3.833 2.802 1.00 0.35 C ATOM 2115 O ARG A 119 8.781 -3.039 3.482 1.00 0.42 O ATOM 2116 CB ARG A 119 10.473 -3.104 0.647 1.00 0.46 C ATOM 2117 CG ARG A 119 10.523 -3.247 -0.866 1.00 1.14 C ATOM 2118 CD ARG A 119 11.597 -2.366 -1.488 1.00 1.30 C ATOM 2119 NE ARG A 119 12.921 -2.598 -0.909 1.00 1.83 N ATOM 2120 CZ ARG A 119 13.857 -3.374 -1.459 1.00 2.50 C ATOM 2121 NH1 ARG A 119 13.606 -4.039 -2.584 1.00 2.76 N ATOM 2122 NH2 ARG A 119 15.046 -3.487 -0.880 1.00 3.41 N ATOM 0 H ARG A 119 8.053 -2.188 0.933 1.00 0.31 H new ATOM 0 HA ARG A 119 9.292 -4.868 0.939 1.00 0.35 H new ATOM 0 HB2 ARG A 119 10.419 -2.046 0.903 1.00 0.46 H new ATOM 0 HB3 ARG A 119 11.401 -3.488 1.072 1.00 0.46 H new ATOM 0 HG2 ARG A 119 10.714 -4.288 -1.125 1.00 1.14 H new ATOM 0 HG3 ARG A 119 9.552 -2.986 -1.287 1.00 1.14 H new ATOM 0 HD2 ARG A 119 11.637 -2.551 -2.561 1.00 1.30 H new ATOM 0 HD3 ARG A 119 11.325 -1.319 -1.355 1.00 1.30 H new ATOM 0 HE ARG A 119 13.143 -2.136 -0.027 1.00 1.83 H new ATOM 0 HH11 ARG A 119 12.693 -3.957 -3.032 1.00 2.76 H new ATOM 0 HH12 ARG A 119 14.326 -4.630 -2.999 1.00 2.76 H new ATOM 0 HH21 ARG A 119 15.243 -2.981 -0.016 1.00 3.41 H new ATOM 0 HH22 ARG A 119 15.763 -4.080 -1.299 1.00 3.41 H new ATOM 2136 N ARG A 120 10.217 -4.738 3.336 1.00 0.36 N ATOM 2137 CA ARG A 120 10.438 -4.788 4.774 1.00 0.41 C ATOM 2138 C ARG A 120 11.891 -4.537 5.135 1.00 0.46 C ATOM 2139 O ARG A 120 12.781 -5.295 4.745 1.00 0.63 O ATOM 2140 CB ARG A 120 9.983 -6.129 5.344 1.00 0.49 C ATOM 2141 CG ARG A 120 8.511 -6.161 5.714 1.00 1.06 C ATOM 2142 CD ARG A 120 8.215 -5.274 6.915 1.00 0.97 C ATOM 2143 NE ARG A 120 8.967 -5.682 8.105 1.00 1.27 N ATOM 2144 CZ ARG A 120 8.519 -5.547 9.354 1.00 1.56 C ATOM 2145 NH1 ARG A 120 7.309 -5.052 9.580 1.00 1.62 N ATOM 2146 NH2 ARG A 120 9.281 -5.920 10.376 1.00 1.96 N ATOM 0 H ARG A 120 10.722 -5.446 2.802 1.00 0.36 H new ATOM 0 HA ARG A 120 9.842 -3.990 5.217 1.00 0.41 H new ATOM 0 HB2 ARG A 120 10.183 -6.912 4.613 1.00 0.49 H new ATOM 0 HB3 ARG A 120 10.577 -6.359 6.228 1.00 0.49 H new ATOM 0 HG2 ARG A 120 7.914 -5.833 4.863 1.00 1.06 H new ATOM 0 HG3 ARG A 120 8.213 -7.186 5.936 1.00 1.06 H new ATOM 0 HD2 ARG A 120 8.459 -4.240 6.670 1.00 0.97 H new ATOM 0 HD3 ARG A 120 7.148 -5.306 7.133 1.00 0.97 H new ATOM 0 HE ARG A 120 9.890 -6.095 7.970 1.00 1.27 H new ATOM 0 HH11 ARG A 120 6.718 -4.773 8.797 1.00 1.62 H new ATOM 0 HH12 ARG A 120 6.970 -4.950 10.537 1.00 1.62 H new ATOM 0 HH21 ARG A 120 10.208 -6.309 10.205 1.00 1.96 H new ATOM 0 HH22 ARG A 120 8.939 -5.817 11.331 1.00 1.96 H new ATOM 2160 N ASP A 121 12.117 -3.469 5.885 1.00 0.49 N ATOM 2161 CA ASP A 121 13.441 -3.151 6.402 1.00 0.59 C ATOM 2162 C ASP A 121 13.353 -2.827 7.884 1.00 0.66 C ATOM 2163 O ASP A 121 12.664 -1.884 8.284 1.00 1.08 O ATOM 2164 CB ASP A 121 14.058 -1.976 5.639 1.00 0.67 C ATOM 2165 CG ASP A 121 15.432 -1.607 6.165 1.00 0.82 C ATOM 2166 OD1 ASP A 121 16.371 -2.413 6.001 1.00 0.96 O ATOM 2167 OD2 ASP A 121 15.575 -0.506 6.735 1.00 0.88 O ATOM 0 H ASP A 121 11.393 -2.802 6.152 1.00 0.49 H new ATOM 0 HA ASP A 121 14.084 -4.020 6.263 1.00 0.59 H new ATOM 0 HB2 ASP A 121 14.132 -2.231 4.582 1.00 0.67 H new ATOM 0 HB3 ASP A 121 13.399 -1.111 5.713 1.00 0.67 H new ATOM 2172 N GLY A 122 14.039 -3.618 8.694 1.00 0.73 N ATOM 2173 CA GLY A 122 13.937 -3.477 10.131 1.00 0.83 C ATOM 2174 C GLY A 122 12.580 -3.927 10.619 1.00 0.78 C ATOM 2175 O GLY A 122 12.218 -5.097 10.476 1.00 0.92 O ATOM 0 H GLY A 122 14.667 -4.358 8.380 1.00 0.73 H new ATOM 0 HA2 GLY A 122 14.716 -4.066 10.615 1.00 0.83 H new ATOM 0 HA3 GLY A 122 14.103 -2.437 10.412 1.00 0.83 H new ATOM 2179 N ASP A 123 11.821 -3.006 11.183 1.00 0.70 N ATOM 2180 CA ASP A 123 10.444 -3.286 11.551 1.00 0.78 C ATOM 2181 C ASP A 123 9.518 -2.309 10.838 1.00 0.64 C ATOM 2182 O ASP A 123 8.367 -2.106 11.230 1.00 0.75 O ATOM 2183 CB ASP A 123 10.255 -3.206 13.068 1.00 0.98 C ATOM 2184 CG ASP A 123 8.941 -3.817 13.518 1.00 1.67 C ATOM 2185 OD1 ASP A 123 8.672 -4.984 13.159 1.00 2.17 O ATOM 2186 OD2 ASP A 123 8.173 -3.143 14.246 1.00 2.31 O ATOM 0 H ASP A 123 12.133 -2.059 11.396 1.00 0.70 H new ATOM 0 HA ASP A 123 10.196 -4.301 11.242 1.00 0.78 H new ATOM 0 HB2 ASP A 123 11.080 -3.719 13.562 1.00 0.98 H new ATOM 0 HB3 ASP A 123 10.295 -2.163 13.382 1.00 0.98 H new ATOM 2191 N TYR A 124 10.030 -1.705 9.777 1.00 0.48 N ATOM 2192 CA TYR A 124 9.271 -0.721 9.028 1.00 0.36 C ATOM 2193 C TYR A 124 8.729 -1.314 7.742 1.00 0.33 C ATOM 2194 O TYR A 124 9.443 -2.004 7.010 1.00 0.39 O ATOM 2195 CB TYR A 124 10.135 0.498 8.706 1.00 0.32 C ATOM 2196 CG TYR A 124 10.475 1.334 9.916 1.00 0.37 C ATOM 2197 CD1 TYR A 124 11.649 1.110 10.622 1.00 0.46 C ATOM 2198 CD2 TYR A 124 9.632 2.347 10.346 1.00 0.49 C ATOM 2199 CE1 TYR A 124 11.973 1.874 11.726 1.00 0.53 C ATOM 2200 CE2 TYR A 124 9.947 3.116 11.447 1.00 0.58 C ATOM 2201 CZ TYR A 124 11.084 2.869 12.148 1.00 0.56 C ATOM 2202 OH TYR A 124 11.437 3.641 13.230 1.00 0.67 O ATOM 0 H TYR A 124 10.968 -1.880 9.417 1.00 0.48 H new ATOM 0 HA TYR A 124 8.432 -0.409 9.651 1.00 0.36 H new ATOM 0 HB2 TYR A 124 11.059 0.164 8.234 1.00 0.32 H new ATOM 0 HB3 TYR A 124 9.613 1.121 7.979 1.00 0.32 H new ATOM 0 HD1 TYR A 124 12.320 0.326 10.303 1.00 0.46 H new ATOM 0 HD2 TYR A 124 8.714 2.537 9.810 1.00 0.49 H new ATOM 0 HE1 TYR A 124 12.899 1.706 12.256 1.00 0.53 H new ATOM 0 HE2 TYR A 124 9.289 3.916 11.752 1.00 0.58 H new ATOM 0 HH TYR A 124 10.728 4.292 13.412 1.00 0.67 H new ATOM 2212 N LEU A 125 7.459 -1.053 7.483 1.00 0.30 N ATOM 2213 CA LEU A 125 6.853 -1.384 6.214 1.00 0.30 C ATOM 2214 C LEU A 125 7.222 -0.277 5.238 1.00 0.27 C ATOM 2215 O LEU A 125 6.781 0.864 5.378 1.00 0.31 O ATOM 2216 CB LEU A 125 5.325 -1.509 6.401 1.00 0.36 C ATOM 2217 CG LEU A 125 4.514 -2.149 5.259 1.00 0.44 C ATOM 2218 CD1 LEU A 125 4.336 -1.195 4.086 1.00 1.03 C ATOM 2219 CD2 LEU A 125 5.164 -3.446 4.800 1.00 0.88 C ATOM 0 H LEU A 125 6.825 -0.607 8.146 1.00 0.30 H new ATOM 0 HA LEU A 125 7.209 -2.338 5.824 1.00 0.30 H new ATOM 0 HB2 LEU A 125 5.144 -2.088 7.306 1.00 0.36 H new ATOM 0 HB3 LEU A 125 4.926 -0.510 6.577 1.00 0.36 H new ATOM 0 HG LEU A 125 3.522 -2.374 5.651 1.00 0.44 H new ATOM 0 HD11 LEU A 125 3.759 -1.686 3.302 1.00 1.03 H new ATOM 0 HD12 LEU A 125 3.808 -0.302 4.420 1.00 1.03 H new ATOM 0 HD13 LEU A 125 5.313 -0.914 3.694 1.00 1.03 H new ATOM 0 HD21 LEU A 125 4.575 -3.882 3.993 1.00 0.88 H new ATOM 0 HD22 LEU A 125 6.173 -3.241 4.443 1.00 0.88 H new ATOM 0 HD23 LEU A 125 5.209 -4.145 5.635 1.00 0.88 H new ATOM 2231 N VAL A 126 8.045 -0.609 4.266 1.00 0.29 N ATOM 2232 CA VAL A 126 8.619 0.387 3.387 1.00 0.34 C ATOM 2233 C VAL A 126 7.880 0.407 2.066 1.00 0.36 C ATOM 2234 O VAL A 126 7.987 -0.522 1.264 1.00 0.43 O ATOM 2235 CB VAL A 126 10.120 0.137 3.124 1.00 0.41 C ATOM 2236 CG1 VAL A 126 10.706 1.250 2.261 1.00 0.46 C ATOM 2237 CG2 VAL A 126 10.882 0.008 4.435 1.00 0.47 C ATOM 0 H VAL A 126 8.333 -1.567 4.064 1.00 0.29 H new ATOM 0 HA VAL A 126 8.519 1.350 3.888 1.00 0.34 H new ATOM 0 HB VAL A 126 10.222 -0.803 2.581 1.00 0.41 H new ATOM 0 HG11 VAL A 126 11.764 1.056 2.087 1.00 0.46 H new ATOM 0 HG12 VAL A 126 10.181 1.285 1.306 1.00 0.46 H new ATOM 0 HG13 VAL A 126 10.592 2.206 2.773 1.00 0.46 H new ATOM 0 HG21 VAL A 126 11.937 -0.168 4.227 1.00 0.47 H new ATOM 0 HG22 VAL A 126 10.774 0.927 5.011 1.00 0.47 H new ATOM 0 HG23 VAL A 126 10.481 -0.828 5.008 1.00 0.47 H new ATOM 2247 N MET A 127 7.117 1.455 1.855 1.00 0.38 N ATOM 2248 CA MET A 127 6.415 1.630 0.606 1.00 0.46 C ATOM 2249 C MET A 127 7.350 2.210 -0.438 1.00 0.33 C ATOM 2250 O MET A 127 7.955 3.261 -0.235 1.00 0.33 O ATOM 2251 CB MET A 127 5.189 2.523 0.793 1.00 0.65 C ATOM 2252 CG MET A 127 4.781 3.274 -0.463 1.00 0.87 C ATOM 2253 SD MET A 127 3.119 3.950 -0.353 1.00 1.08 S ATOM 2254 CE MET A 127 2.167 2.469 -0.662 1.00 0.66 C ATOM 0 H MET A 127 6.967 2.201 2.535 1.00 0.38 H new ATOM 0 HA MET A 127 6.069 0.656 0.261 1.00 0.46 H new ATOM 0 HB2 MET A 127 4.352 1.910 1.127 1.00 0.65 H new ATOM 0 HB3 MET A 127 5.393 3.243 1.586 1.00 0.65 H new ATOM 0 HG2 MET A 127 5.488 4.084 -0.644 1.00 0.87 H new ATOM 0 HG3 MET A 127 4.840 2.602 -1.319 1.00 0.87 H new ATOM 0 HE1 MET A 127 1.114 2.664 -0.457 1.00 0.66 H new ATOM 0 HE2 MET A 127 2.285 2.172 -1.704 1.00 0.66 H new ATOM 0 HE3 MET A 127 2.521 1.667 -0.014 1.00 0.66 H new ATOM 2264 N LYS A 128 7.469 1.513 -1.547 1.00 0.33 N ATOM 2265 CA LYS A 128 8.298 1.956 -2.647 1.00 0.35 C ATOM 2266 C LYS A 128 7.417 2.192 -3.854 1.00 0.35 C ATOM 2267 O LYS A 128 6.613 1.340 -4.227 1.00 0.44 O ATOM 2268 CB LYS A 128 9.391 0.924 -2.952 1.00 0.55 C ATOM 2269 CG LYS A 128 10.193 1.213 -4.216 1.00 0.82 C ATOM 2270 CD LYS A 128 10.909 2.556 -4.149 1.00 0.99 C ATOM 2271 CE LYS A 128 11.769 2.792 -5.380 1.00 1.42 C ATOM 2272 NZ LYS A 128 12.827 1.756 -5.525 1.00 2.20 N ATOM 0 H LYS A 128 6.995 0.625 -1.712 1.00 0.33 H new ATOM 0 HA LYS A 128 8.799 2.887 -2.380 1.00 0.35 H new ATOM 0 HB2 LYS A 128 10.075 0.876 -2.105 1.00 0.55 H new ATOM 0 HB3 LYS A 128 8.930 -0.059 -3.045 1.00 0.55 H new ATOM 0 HG2 LYS A 128 10.925 0.420 -4.369 1.00 0.82 H new ATOM 0 HG3 LYS A 128 9.526 1.201 -5.078 1.00 0.82 H new ATOM 0 HD2 LYS A 128 10.175 3.357 -4.058 1.00 0.99 H new ATOM 0 HD3 LYS A 128 11.533 2.593 -3.256 1.00 0.99 H new ATOM 0 HE2 LYS A 128 11.138 2.793 -6.269 1.00 1.42 H new ATOM 0 HE3 LYS A 128 12.232 3.777 -5.316 1.00 1.42 H new ATOM 0 HZ1 LYS A 128 13.556 2.095 -6.185 1.00 2.20 H new ATOM 0 HZ2 LYS A 128 13.259 1.569 -4.598 1.00 2.20 H new ATOM 0 HZ3 LYS A 128 12.406 0.880 -5.894 1.00 2.20 H new ATOM 2286 N MET A 129 7.545 3.361 -4.434 1.00 0.36 N ATOM 2287 CA MET A 129 6.702 3.762 -5.536 1.00 0.41 C ATOM 2288 C MET A 129 7.474 4.712 -6.437 1.00 0.35 C ATOM 2289 O MET A 129 8.178 5.600 -5.951 1.00 0.40 O ATOM 2290 CB MET A 129 5.439 4.424 -4.980 1.00 0.49 C ATOM 2291 CG MET A 129 5.747 5.617 -4.097 1.00 1.02 C ATOM 2292 SD MET A 129 4.549 5.884 -2.779 1.00 1.11 S ATOM 2293 CE MET A 129 3.086 6.268 -3.727 1.00 0.50 C ATOM 0 H MET A 129 8.234 4.060 -4.157 1.00 0.36 H new ATOM 0 HA MET A 129 6.406 2.896 -6.128 1.00 0.41 H new ATOM 0 HB2 MET A 129 4.806 4.743 -5.808 1.00 0.49 H new ATOM 0 HB3 MET A 129 4.870 3.691 -4.408 1.00 0.49 H new ATOM 0 HG2 MET A 129 6.734 5.483 -3.655 1.00 1.02 H new ATOM 0 HG3 MET A 129 5.794 6.512 -4.717 1.00 1.02 H new ATOM 0 HE1 MET A 129 2.215 5.821 -3.248 1.00 0.50 H new ATOM 0 HE2 MET A 129 2.958 7.349 -3.777 1.00 0.50 H new ATOM 0 HE3 MET A 129 3.191 5.868 -4.736 1.00 0.50 H new ATOM 2303 N SER A 130 7.379 4.505 -7.737 1.00 0.34 N ATOM 2304 CA SER A 130 8.133 5.315 -8.679 1.00 0.33 C ATOM 2305 C SER A 130 7.300 5.635 -9.913 1.00 0.33 C ATOM 2306 O SER A 130 6.602 4.770 -10.448 1.00 0.38 O ATOM 2307 CB SER A 130 9.412 4.586 -9.081 1.00 0.39 C ATOM 2308 OG SER A 130 9.997 3.928 -7.969 1.00 1.06 O ATOM 0 H SER A 130 6.792 3.788 -8.164 1.00 0.34 H new ATOM 0 HA SER A 130 8.393 6.256 -8.194 1.00 0.33 H new ATOM 0 HB2 SER A 130 9.189 3.859 -9.862 1.00 0.39 H new ATOM 0 HB3 SER A 130 10.123 5.297 -9.501 1.00 0.39 H new ATOM 0 HG SER A 130 10.718 3.341 -8.279 1.00 1.06 H new ATOM 2314 N TRP A 131 7.375 6.878 -10.353 1.00 0.32 N ATOM 2315 CA TRP A 131 6.604 7.338 -11.497 1.00 0.34 C ATOM 2316 C TRP A 131 7.437 8.285 -12.340 1.00 0.34 C ATOM 2317 O TRP A 131 7.954 9.279 -11.831 1.00 0.33 O ATOM 2318 CB TRP A 131 5.337 8.046 -11.018 1.00 0.36 C ATOM 2319 CG TRP A 131 4.304 8.229 -12.087 1.00 0.39 C ATOM 2320 CD1 TRP A 131 4.195 9.273 -12.952 1.00 0.46 C ATOM 2321 CD2 TRP A 131 3.228 7.339 -12.396 1.00 0.47 C ATOM 2322 NE1 TRP A 131 3.110 9.095 -13.776 1.00 0.52 N ATOM 2323 CE2 TRP A 131 2.502 7.913 -13.457 1.00 0.54 C ATOM 2324 CE3 TRP A 131 2.806 6.115 -11.877 1.00 0.58 C ATOM 2325 CZ2 TRP A 131 1.380 7.303 -14.007 1.00 0.66 C ATOM 2326 CZ3 TRP A 131 1.692 5.511 -12.424 1.00 0.73 C ATOM 2327 CH2 TRP A 131 0.990 6.105 -13.480 1.00 0.76 C ATOM 0 H TRP A 131 7.967 7.594 -9.932 1.00 0.32 H new ATOM 0 HA TRP A 131 6.325 6.477 -12.105 1.00 0.34 H new ATOM 0 HB2 TRP A 131 4.901 7.475 -10.199 1.00 0.36 H new ATOM 0 HB3 TRP A 131 5.608 9.023 -10.617 1.00 0.36 H new ATOM 0 HD1 TRP A 131 4.865 10.120 -12.986 1.00 0.46 H new ATOM 0 HE1 TRP A 131 2.808 9.740 -14.506 1.00 0.52 H new ATOM 0 HE3 TRP A 131 3.341 5.649 -11.063 1.00 0.58 H new ATOM 0 HZ2 TRP A 131 0.837 7.760 -14.821 1.00 0.66 H new ATOM 0 HZ3 TRP A 131 1.356 4.563 -12.030 1.00 0.73 H new ATOM 0 HH2 TRP A 131 0.123 5.606 -13.886 1.00 0.76 H new ATOM 2338 N LYS A 132 7.555 7.969 -13.626 1.00 0.37 N ATOM 2339 CA LYS A 132 8.339 8.768 -14.567 1.00 0.40 C ATOM 2340 C LYS A 132 9.734 9.086 -14.027 1.00 0.39 C ATOM 2341 O LYS A 132 10.203 10.220 -14.115 1.00 0.42 O ATOM 2342 CB LYS A 132 7.597 10.061 -14.936 1.00 0.44 C ATOM 2343 CG LYS A 132 6.673 9.928 -16.142 1.00 0.68 C ATOM 2344 CD LYS A 132 5.666 8.802 -15.973 1.00 1.22 C ATOM 2345 CE LYS A 132 4.721 8.710 -17.159 1.00 1.43 C ATOM 2346 NZ LYS A 132 3.755 7.590 -17.011 1.00 1.96 N ATOM 0 H LYS A 132 7.111 7.153 -14.047 1.00 0.37 H new ATOM 0 HA LYS A 132 8.467 8.168 -15.468 1.00 0.40 H new ATOM 0 HB2 LYS A 132 7.011 10.388 -14.077 1.00 0.44 H new ATOM 0 HB3 LYS A 132 8.330 10.842 -15.138 1.00 0.44 H new ATOM 0 HG2 LYS A 132 6.142 10.868 -16.296 1.00 0.68 H new ATOM 0 HG3 LYS A 132 7.270 9.748 -17.036 1.00 0.68 H new ATOM 0 HD2 LYS A 132 6.194 7.856 -15.855 1.00 1.22 H new ATOM 0 HD3 LYS A 132 5.091 8.962 -15.061 1.00 1.22 H new ATOM 0 HE2 LYS A 132 4.176 9.648 -17.263 1.00 1.43 H new ATOM 0 HE3 LYS A 132 5.298 8.574 -18.074 1.00 1.43 H new ATOM 0 HZ1 LYS A 132 3.128 7.561 -17.840 1.00 1.96 H new ATOM 0 HZ2 LYS A 132 4.274 6.692 -16.937 1.00 1.96 H new ATOM 0 HZ3 LYS A 132 3.187 7.733 -16.152 1.00 1.96 H new ATOM 2360 N GLY A 133 10.389 8.080 -13.472 1.00 0.40 N ATOM 2361 CA GLY A 133 11.738 8.254 -12.974 1.00 0.42 C ATOM 2362 C GLY A 133 11.799 8.853 -11.579 1.00 0.40 C ATOM 2363 O GLY A 133 12.877 8.945 -10.990 1.00 0.53 O ATOM 0 H GLY A 133 10.009 7.140 -13.356 1.00 0.40 H new ATOM 0 HA2 GLY A 133 12.241 7.287 -12.968 1.00 0.42 H new ATOM 0 HA3 GLY A 133 12.290 8.896 -13.661 1.00 0.42 H new ATOM 2367 N VAL A 134 10.661 9.277 -11.048 1.00 0.35 N ATOM 2368 CA VAL A 134 10.623 9.845 -9.707 1.00 0.34 C ATOM 2369 C VAL A 134 10.273 8.767 -8.694 1.00 0.36 C ATOM 2370 O VAL A 134 9.124 8.334 -8.604 1.00 0.40 O ATOM 2371 CB VAL A 134 9.597 10.992 -9.590 1.00 0.38 C ATOM 2372 CG1 VAL A 134 9.757 11.717 -8.262 1.00 0.38 C ATOM 2373 CG2 VAL A 134 9.732 11.957 -10.754 1.00 0.43 C ATOM 0 H VAL A 134 9.758 9.239 -11.521 1.00 0.35 H new ATOM 0 HA VAL A 134 11.614 10.251 -9.504 1.00 0.34 H new ATOM 0 HB VAL A 134 8.596 10.562 -9.625 1.00 0.38 H new ATOM 0 HG11 VAL A 134 9.026 12.523 -8.197 1.00 0.38 H new ATOM 0 HG12 VAL A 134 9.598 11.015 -7.443 1.00 0.38 H new ATOM 0 HG13 VAL A 134 10.762 12.133 -8.193 1.00 0.38 H new ATOM 0 HG21 VAL A 134 8.999 12.757 -10.650 1.00 0.43 H new ATOM 0 HG22 VAL A 134 10.735 12.383 -10.759 1.00 0.43 H new ATOM 0 HG23 VAL A 134 9.559 11.425 -11.690 1.00 0.43 H new ATOM 2383 N SER A 135 11.272 8.321 -7.954 1.00 0.38 N ATOM 2384 CA SER A 135 11.082 7.293 -6.962 1.00 0.42 C ATOM 2385 C SER A 135 10.962 7.903 -5.571 1.00 0.40 C ATOM 2386 O SER A 135 11.533 8.961 -5.289 1.00 0.51 O ATOM 2387 CB SER A 135 12.263 6.339 -7.000 1.00 0.50 C ATOM 2388 OG SER A 135 12.730 6.146 -8.328 1.00 1.14 O ATOM 0 H SER A 135 12.230 8.663 -8.027 1.00 0.38 H new ATOM 0 HA SER A 135 10.161 6.754 -7.183 1.00 0.42 H new ATOM 0 HB2 SER A 135 13.070 6.732 -6.382 1.00 0.50 H new ATOM 0 HB3 SER A 135 11.972 5.380 -6.572 1.00 0.50 H new ATOM 0 HG SER A 135 13.491 5.529 -8.321 1.00 1.14 H new ATOM 2394 N THR A 136 10.218 7.234 -4.711 1.00 0.35 N ATOM 2395 CA THR A 136 10.075 7.663 -3.332 1.00 0.34 C ATOM 2396 C THR A 136 9.790 6.478 -2.418 1.00 0.31 C ATOM 2397 O THR A 136 9.109 5.527 -2.806 1.00 0.34 O ATOM 2398 CB THR A 136 8.956 8.718 -3.168 1.00 0.38 C ATOM 2399 OG1 THR A 136 8.801 9.069 -1.784 1.00 0.40 O ATOM 2400 CG2 THR A 136 7.629 8.210 -3.709 1.00 0.39 C ATOM 0 H THR A 136 9.700 6.387 -4.944 1.00 0.35 H new ATOM 0 HA THR A 136 11.023 8.120 -3.047 1.00 0.34 H new ATOM 0 HB THR A 136 9.249 9.598 -3.740 1.00 0.38 H new ATOM 0 HG1 THR A 136 7.993 9.613 -1.673 1.00 0.40 H new ATOM 0 HG21 THR A 136 6.865 8.976 -3.578 1.00 0.39 H new ATOM 0 HG22 THR A 136 7.733 7.979 -4.769 1.00 0.39 H new ATOM 0 HG23 THR A 136 7.336 7.310 -3.169 1.00 0.39 H new ATOM 2408 N SER A 137 10.347 6.533 -1.222 1.00 0.33 N ATOM 2409 CA SER A 137 10.067 5.543 -0.205 1.00 0.32 C ATOM 2410 C SER A 137 9.246 6.163 0.921 1.00 0.31 C ATOM 2411 O SER A 137 9.618 7.197 1.478 1.00 0.40 O ATOM 2412 CB SER A 137 11.370 4.967 0.343 1.00 0.39 C ATOM 2413 OG SER A 137 12.158 4.416 -0.700 1.00 0.79 O ATOM 0 H SER A 137 11.001 7.260 -0.932 1.00 0.33 H new ATOM 0 HA SER A 137 9.490 4.734 -0.652 1.00 0.32 H new ATOM 0 HB2 SER A 137 11.931 5.749 0.854 1.00 0.39 H new ATOM 0 HB3 SER A 137 11.149 4.198 1.083 1.00 0.39 H new ATOM 0 HG SER A 137 12.989 4.054 -0.326 1.00 0.79 H new ATOM 2419 N ARG A 138 8.114 5.551 1.227 1.00 0.35 N ATOM 2420 CA ARG A 138 7.287 5.991 2.336 1.00 0.44 C ATOM 2421 C ARG A 138 7.398 4.983 3.467 1.00 0.39 C ATOM 2422 O ARG A 138 7.003 3.828 3.326 1.00 0.43 O ATOM 2423 CB ARG A 138 5.828 6.163 1.899 1.00 0.63 C ATOM 2424 CG ARG A 138 5.654 7.168 0.771 1.00 1.08 C ATOM 2425 CD ARG A 138 4.593 8.208 1.097 1.00 0.88 C ATOM 2426 NE ARG A 138 3.239 7.656 1.110 1.00 0.82 N ATOM 2427 CZ ARG A 138 2.165 8.344 1.497 1.00 1.07 C ATOM 2428 NH1 ARG A 138 2.292 9.593 1.936 1.00 1.84 N ATOM 2429 NH2 ARG A 138 0.963 7.792 1.450 1.00 1.63 N ATOM 0 H ARG A 138 7.747 4.745 0.720 1.00 0.35 H new ATOM 0 HA ARG A 138 7.639 6.963 2.682 1.00 0.44 H new ATOM 0 HB2 ARG A 138 5.435 5.198 1.580 1.00 0.63 H new ATOM 0 HB3 ARG A 138 5.234 6.482 2.756 1.00 0.63 H new ATOM 0 HG2 ARG A 138 6.604 7.666 0.579 1.00 1.08 H new ATOM 0 HG3 ARG A 138 5.379 6.643 -0.144 1.00 1.08 H new ATOM 0 HD2 ARG A 138 4.810 8.648 2.070 1.00 0.88 H new ATOM 0 HD3 ARG A 138 4.644 9.014 0.365 1.00 0.88 H new ATOM 0 HE ARG A 138 3.109 6.691 0.806 1.00 0.82 H new ATOM 0 HH11 ARG A 138 3.214 10.028 1.977 1.00 1.84 H new ATOM 0 HH12 ARG A 138 1.468 10.116 2.231 1.00 1.84 H new ATOM 0 HH21 ARG A 138 0.854 6.834 1.116 1.00 1.63 H new ATOM 0 HH22 ARG A 138 0.145 8.324 1.748 1.00 1.63 H new ATOM 2443 N TYR A 139 7.960 5.418 4.581 1.00 0.39 N ATOM 2444 CA TYR A 139 8.258 4.516 5.680 1.00 0.36 C ATOM 2445 C TYR A 139 7.106 4.447 6.666 1.00 0.34 C ATOM 2446 O TYR A 139 6.689 5.462 7.230 1.00 0.39 O ATOM 2447 CB TYR A 139 9.543 4.944 6.388 1.00 0.42 C ATOM 2448 CG TYR A 139 10.782 4.746 5.544 1.00 0.44 C ATOM 2449 CD1 TYR A 139 11.261 5.758 4.720 1.00 0.46 C ATOM 2450 CD2 TYR A 139 11.467 3.539 5.564 1.00 0.50 C ATOM 2451 CE1 TYR A 139 12.388 5.570 3.941 1.00 0.52 C ATOM 2452 CE2 TYR A 139 12.594 3.343 4.791 1.00 0.56 C ATOM 2453 CZ TYR A 139 13.051 4.361 3.980 1.00 0.56 C ATOM 2454 OH TYR A 139 14.172 4.165 3.204 1.00 0.64 O ATOM 0 H TYR A 139 8.219 6.390 4.749 1.00 0.39 H new ATOM 0 HA TYR A 139 8.402 3.519 5.265 1.00 0.36 H new ATOM 0 HB2 TYR A 139 9.464 5.995 6.666 1.00 0.42 H new ATOM 0 HB3 TYR A 139 9.647 4.377 7.313 1.00 0.42 H new ATOM 0 HD1 TYR A 139 10.745 6.706 4.688 1.00 0.46 H new ATOM 0 HD2 TYR A 139 11.112 2.738 6.196 1.00 0.50 H new ATOM 0 HE1 TYR A 139 12.747 6.366 3.305 1.00 0.52 H new ATOM 0 HE2 TYR A 139 13.115 2.398 4.821 1.00 0.56 H new ATOM 0 HH TYR A 139 14.518 3.260 3.351 1.00 0.64 H new ATOM 2464 N TYR A 140 6.589 3.246 6.850 1.00 0.29 N ATOM 2465 CA TYR A 140 5.512 3.004 7.789 1.00 0.27 C ATOM 2466 C TYR A 140 6.016 2.169 8.961 1.00 0.29 C ATOM 2467 O TYR A 140 6.755 1.207 8.775 1.00 0.37 O ATOM 2468 CB TYR A 140 4.357 2.267 7.101 1.00 0.27 C ATOM 2469 CG TYR A 140 3.637 3.066 6.034 1.00 0.30 C ATOM 2470 CD1 TYR A 140 2.403 3.656 6.281 1.00 0.39 C ATOM 2471 CD2 TYR A 140 4.203 3.239 4.779 1.00 0.45 C ATOM 2472 CE1 TYR A 140 1.755 4.394 5.307 1.00 0.48 C ATOM 2473 CE2 TYR A 140 3.562 3.973 3.802 1.00 0.52 C ATOM 2474 CZ TYR A 140 2.293 4.518 4.077 1.00 0.48 C ATOM 2475 OH TYR A 140 1.703 5.280 3.091 1.00 0.60 O ATOM 0 H TYR A 140 6.904 2.413 6.353 1.00 0.29 H new ATOM 0 HA TYR A 140 5.154 3.966 8.155 1.00 0.27 H new ATOM 0 HB2 TYR A 140 4.745 1.353 6.651 1.00 0.27 H new ATOM 0 HB3 TYR A 140 3.634 1.966 7.859 1.00 0.27 H new ATOM 0 HD1 TYR A 140 1.942 3.536 7.250 1.00 0.39 H new ATOM 0 HD2 TYR A 140 5.162 2.791 4.563 1.00 0.45 H new ATOM 0 HE1 TYR A 140 0.814 4.873 5.533 1.00 0.48 H new ATOM 0 HE2 TYR A 140 4.027 4.127 2.840 1.00 0.52 H new ATOM 0 HH TYR A 140 1.430 4.701 2.349 1.00 0.60 H new ATOM 2485 N LYS A 141 5.616 2.540 10.158 1.00 0.37 N ATOM 2486 CA LYS A 141 5.916 1.760 11.350 1.00 0.48 C ATOM 2487 C LYS A 141 4.603 1.367 11.986 1.00 0.45 C ATOM 2488 O LYS A 141 3.594 1.904 11.595 1.00 0.54 O ATOM 2489 CB LYS A 141 6.818 2.543 12.312 1.00 0.69 C ATOM 2490 CG LYS A 141 6.425 4.003 12.502 1.00 0.72 C ATOM 2491 CD LYS A 141 5.223 4.143 13.408 1.00 0.97 C ATOM 2492 CE LYS A 141 5.537 3.671 14.817 1.00 1.45 C ATOM 2493 NZ LYS A 141 4.421 3.949 15.758 1.00 1.92 N ATOM 0 H LYS A 141 5.076 3.386 10.337 1.00 0.37 H new ATOM 0 HA LYS A 141 6.473 0.861 11.088 1.00 0.48 H new ATOM 0 HB2 LYS A 141 6.808 2.048 13.283 1.00 0.69 H new ATOM 0 HB3 LYS A 141 7.843 2.501 11.944 1.00 0.69 H new ATOM 0 HG2 LYS A 141 7.265 4.555 12.924 1.00 0.72 H new ATOM 0 HG3 LYS A 141 6.205 4.450 11.533 1.00 0.72 H new ATOM 0 HD2 LYS A 141 4.904 5.185 13.434 1.00 0.97 H new ATOM 0 HD3 LYS A 141 4.392 3.565 13.005 1.00 0.97 H new ATOM 0 HE2 LYS A 141 5.742 2.601 14.804 1.00 1.45 H new ATOM 0 HE3 LYS A 141 6.442 4.164 15.172 1.00 1.45 H new ATOM 0 HZ1 LYS A 141 4.714 3.705 16.726 1.00 1.92 H new ATOM 0 HZ2 LYS A 141 4.174 4.958 15.715 1.00 1.92 H new ATOM 0 HZ3 LYS A 141 3.593 3.378 15.493 1.00 1.92 H new ATOM 2507 N LYS A 142 4.594 0.413 12.906 1.00 0.44 N ATOM 2508 CA LYS A 142 3.343 -0.006 13.555 1.00 0.43 C ATOM 2509 C LYS A 142 2.517 1.185 14.078 1.00 0.36 C ATOM 2510 O LYS A 142 2.971 2.322 14.093 1.00 0.34 O ATOM 2511 CB LYS A 142 3.633 -0.967 14.707 1.00 0.54 C ATOM 2512 CG LYS A 142 4.159 -2.323 14.261 1.00 0.87 C ATOM 2513 CD LYS A 142 4.434 -3.223 15.456 1.00 1.30 C ATOM 2514 CE LYS A 142 4.778 -4.643 15.034 1.00 1.43 C ATOM 2515 NZ LYS A 142 5.958 -4.699 14.132 1.00 2.13 N ATOM 0 H LYS A 142 5.425 -0.086 13.223 1.00 0.44 H new ATOM 0 HA LYS A 142 2.751 -0.509 12.790 1.00 0.43 H new ATOM 0 HB2 LYS A 142 4.361 -0.508 15.376 1.00 0.54 H new ATOM 0 HB3 LYS A 142 2.720 -1.114 15.283 1.00 0.54 H new ATOM 0 HG2 LYS A 142 3.433 -2.800 13.602 1.00 0.87 H new ATOM 0 HG3 LYS A 142 5.074 -2.190 13.684 1.00 0.87 H new ATOM 0 HD2 LYS A 142 5.256 -2.809 16.040 1.00 1.30 H new ATOM 0 HD3 LYS A 142 3.559 -3.240 16.106 1.00 1.30 H new ATOM 0 HE2 LYS A 142 4.974 -5.245 15.921 1.00 1.43 H new ATOM 0 HE3 LYS A 142 3.919 -5.087 14.531 1.00 1.43 H new ATOM 0 HZ1 LYS A 142 6.467 -5.594 14.281 1.00 2.13 H new ATOM 0 HZ2 LYS A 142 5.642 -4.641 13.143 1.00 2.13 H new ATOM 0 HZ3 LYS A 142 6.592 -3.901 14.340 1.00 2.13 H new ATOM 2529 N GLN A 143 1.260 0.947 14.384 1.00 0.44 N ATOM 2530 CA GLN A 143 0.492 1.906 15.164 1.00 0.53 C ATOM 2531 C GLN A 143 1.046 2.006 16.585 1.00 0.68 C ATOM 2532 O GLN A 143 1.979 2.806 16.812 1.00 1.46 O ATOM 2533 CB GLN A 143 -0.976 1.483 15.204 1.00 0.55 C ATOM 2534 CG GLN A 143 -1.636 1.450 13.843 1.00 0.63 C ATOM 2535 CD GLN A 143 -2.176 2.794 13.416 1.00 0.80 C ATOM 2536 OE1 GLN A 143 -2.612 3.600 14.239 1.00 1.34 O ATOM 2537 NE2 GLN A 143 -2.130 3.047 12.125 1.00 1.28 N ATOM 2538 OXT GLN A 143 0.553 1.275 17.469 1.00 1.19 O ATOM 0 H GLN A 143 0.748 0.108 14.110 1.00 0.44 H new ATOM 0 HA GLN A 143 0.571 2.885 14.692 1.00 0.53 H new ATOM 0 HB2 GLN A 143 -1.048 0.494 15.657 1.00 0.55 H new ATOM 0 HB3 GLN A 143 -1.525 2.170 15.848 1.00 0.55 H new ATOM 0 HG2 GLN A 143 -0.914 1.103 13.104 1.00 0.63 H new ATOM 0 HG3 GLN A 143 -2.450 0.726 13.858 1.00 0.63 H new ATOM 0 HE21 GLN A 143 -1.760 2.348 11.481 1.00 1.28 H new ATOM 0 HE22 GLN A 143 -2.464 3.942 11.769 1.00 1.28 H new TER 2547 GLN A 143 HETATM 2548 C1 OLA A1001 -0.505 5.086 -0.267 1.00 0.86 C HETATM 2549 O1 OLA A1001 -1.243 4.088 -0.171 1.00 1.40 O HETATM 2550 O2 OLA A1001 0.340 5.375 0.608 1.00 1.48 O HETATM 2551 C2 OLA A1001 -0.633 5.968 -1.499 1.00 0.78 C HETATM 2552 C3 OLA A1001 -1.826 6.913 -1.429 1.00 1.13 C HETATM 2553 C4 OLA A1001 -1.584 8.054 -0.452 1.00 1.05 C HETATM 2554 C5 OLA A1001 -2.813 8.935 -0.290 1.00 1.15 C HETATM 2555 C6 OLA A1001 -3.944 8.186 0.394 1.00 1.18 C HETATM 2556 C7 OLA A1001 -5.156 9.071 0.654 1.00 1.02 C HETATM 2557 C8 OLA A1001 -5.856 9.484 -0.631 1.00 0.99 C HETATM 2558 C9 OLA A1001 -5.462 10.808 -1.187 1.00 0.72 C HETATM 2559 C10 OLA A1001 -6.044 11.384 -2.195 1.00 0.75 C HETATM 2560 C11 OLA A1001 -7.206 10.810 -2.943 1.00 0.92 C HETATM 2561 C12 OLA A1001 -7.128 10.945 -4.455 1.00 0.77 C HETATM 2562 C13 OLA A1001 -5.821 10.382 -5.004 1.00 0.76 C HETATM 2563 C14 OLA A1001 -5.609 8.932 -4.589 1.00 0.88 C HETATM 2564 C15 OLA A1001 -4.283 8.387 -5.089 1.00 0.70 C HETATM 2565 C16 OLA A1001 -3.116 9.142 -4.481 1.00 0.59 C HETATM 2566 C17 OLA A1001 -1.785 8.550 -4.903 1.00 0.57 C HETATM 2567 C18 OLA A1001 -0.607 9.200 -4.221 1.00 0.40 C HETATM 0 H183 OLA A1001 -0.587 10.263 -4.463 1.00 0.40 H new HETATM 0 H182 OLA A1001 -0.697 9.075 -3.142 1.00 0.40 H new HETATM 0 H181 OLA A1001 0.316 8.733 -4.565 1.00 0.40 H new HETATM 0 H172 OLA A1001 -1.782 7.483 -4.682 1.00 0.57 H new HETATM 0 H171 OLA A1001 -1.674 8.652 -5.983 1.00 0.57 H new HETATM 0 H162 OLA A1001 -3.162 10.188 -4.784 1.00 0.59 H new HETATM 0 H161 OLA A1001 -3.196 9.121 -3.394 1.00 0.59 H new HETATM 0 H152 OLA A1001 -4.204 7.329 -4.840 1.00 0.70 H new HETATM 0 H151 OLA A1001 -4.242 8.463 -6.176 1.00 0.70 H new HETATM 0 H142 OLA A1001 -5.646 8.857 -3.502 1.00 0.88 H new HETATM 0 H141 OLA A1001 -6.423 8.320 -4.979 1.00 0.88 H new HETATM 0 H132 OLA A1001 -5.824 10.452 -6.092 1.00 0.76 H new HETATM 0 H131 OLA A1001 -4.987 10.987 -4.648 1.00 0.76 H new HETATM 0 H122 OLA A1001 -7.969 10.423 -4.911 1.00 0.77 H new HETATM 0 H121 OLA A1001 -7.217 11.996 -4.732 1.00 0.77 H new HETATM 0 H112 OLA A1001 -7.294 9.753 -2.692 1.00 0.92 H new HETATM 0 H111 OLA A1001 -8.118 11.297 -2.597 1.00 0.92 H new HETATM 0 HO2 OLA A1001 1.202 4.972 0.376 1.00 1.48 H new HETATM 0 H9 OLA A1001 -4.629 11.329 -0.716 1.00 0.72 H new HETATM 0 H82 OLA A1001 -5.666 8.722 -1.387 1.00 0.99 H new HETATM 0 H81 OLA A1001 -6.931 9.492 -0.450 1.00 0.99 H new HETATM 0 H72 OLA A1001 -5.860 8.540 1.294 1.00 1.02 H new HETATM 0 H71 OLA A1001 -4.842 9.963 1.197 1.00 1.02 H new HETATM 0 H62 OLA A1001 -4.242 7.340 -0.225 1.00 1.18 H new HETATM 0 H61 OLA A1001 -3.586 7.778 1.339 1.00 1.18 H new HETATM 0 H52 OLA A1001 -2.555 9.819 0.293 1.00 1.15 H new HETATM 0 H51 OLA A1001 -3.144 9.284 -1.268 1.00 1.15 H new HETATM 0 H42 OLA A1001 -1.300 7.647 0.518 1.00 1.05 H new HETATM 0 H41 OLA A1001 -0.747 8.659 -0.801 1.00 1.05 H new HETATM 0 H32 OLA A1001 -2.027 7.319 -2.420 1.00 1.13 H new HETATM 0 H31 OLA A1001 -2.713 6.357 -1.126 1.00 1.13 H new HETATM 0 H22 OLA A1001 0.280 6.551 -1.619 1.00 0.78 H new HETATM 0 H21 OLA A1001 -0.727 5.337 -2.383 1.00 0.78 H new HETATM 0 H10 OLA A1001 -5.660 12.352 -2.518 1.00 0.75 H new