USER MOD reduce.3.24.130724 H: found=0, std=0, add=1114, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1109 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 129 GLN : amide:sc= -0.0202 X(o=-3.7,f=-4.1) USER MOD Set 1.2: A 133 GLN : amide:sc= -3.63! C(o=-3.7!,f=-4.3!) USER MOD Set 2.1: A 61 HIS : no HD1:sc= -3.82 K(o=-4.1,f=-5.3!) USER MOD Set 2.2: A 98 SER OG : rot 180:sc= -0.311 USER MOD Set 3.1: A 70 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -106:sc= 0.0389 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -124:sc= -0.333 (180deg=-1.77) USER MOD Single : A 14 LYS NZ :NH3+ -179:sc= 0.00661 (180deg=0.00648) USER MOD Single : A 15 SER OG : rot -75:sc= 1.28 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.495 K(o=-0.49,f=-1.2) USER MOD Single : A 20 ASN : amide:sc= -0.372 K(o=-0.37,f=-1.6) USER MOD Single : A 24 SER OG : rot 75:sc= 0.278 USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.365) USER MOD Single : A 31 SER OG : rot 150:sc= -1.07 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= -1.07 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -7.64! C(o=-7.6!,f=-10!) USER MOD Single : A 39 LYS NZ :NH3+ -157:sc= -0.569 (180deg=-0.858) USER MOD Single : A 41 ASN : amide:sc= -0.49 K(o=-0.49,f=-4.2!) USER MOD Single : A 47 SER OG : rot -122:sc= 1.17 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -148:sc= 1.16 USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -3.05 X(o=-3.1,f=-3.1) USER MOD Single : A 66 SER OG : rot -107:sc= -0.652! USER MOD Single : A 68 MET CE :methyl -179:sc= -0.228 (180deg=-0.255) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0.0173 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 SER OG : rot 8:sc= 0.789 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 105 HIS : no HE2:sc= -0.797! C(o=-0.8!,f=-6.7!) USER MOD Single : A 106 HIS : no HD1:sc= -5.58! C(o=-5.6!,f=-8.1!) USER MOD Single : A 109 ASN : amide:sc= -3.99! C(o=-4!,f=-14!) USER MOD Single : A 112 ASN : amide:sc= -0.417 X(o=-0.42,f=-0.42) USER MOD Single : A 114 ASN : amide:sc= -1.61 X(o=-1.6,f=-2) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.0189) USER MOD Single : A 118 GLN : amide:sc= -2.87! C(o=-2.9!,f=-5.2!) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 124 GLN : amide:sc= -0.494 X(o=-0.49,f=-0.55) USER MOD Single : A 136 GLN : amide:sc= -1.18 K(o=-1.2,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -27.456 -16.951 2.002 1.00 0.00 N ATOM 2 CA GLY A 1 -26.201 -17.243 2.670 1.00 0.00 C ATOM 3 C GLY A 1 -25.873 -16.235 3.754 1.00 0.00 C ATOM 4 O GLY A 1 -26.273 -15.074 3.673 1.00 0.00 O ATOM 0 H1 GLY A 1 -28.182 -17.627 2.315 1.00 0.00 H new ATOM 0 H2 GLY A 1 -27.758 -15.984 2.238 1.00 0.00 H new ATOM 0 H3 GLY A 1 -27.329 -17.032 0.973 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.249 -18.240 3.108 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -25.396 -17.256 1.935 1.00 0.00 H new ATOM 8 N SER A 2 -25.145 -16.680 4.773 1.00 0.00 N ATOM 9 CA SER A 2 -24.768 -15.810 5.881 1.00 0.00 C ATOM 10 C SER A 2 -23.387 -15.205 5.651 1.00 0.00 C ATOM 11 O SER A 2 -22.380 -15.732 6.123 1.00 0.00 O ATOM 12 CB SER A 2 -24.784 -16.590 7.197 1.00 0.00 C ATOM 13 OG SER A 2 -26.092 -17.036 7.511 1.00 0.00 O ATOM 0 H SER A 2 -24.804 -17.638 4.854 1.00 0.00 H new ATOM 0 HA SER A 2 -25.495 -15.000 5.939 1.00 0.00 H new ATOM 0 HB2 SER A 2 -24.113 -17.446 7.124 1.00 0.00 H new ATOM 0 HB3 SER A 2 -24.409 -15.958 8.002 1.00 0.00 H new ATOM 0 HG SER A 2 -26.074 -17.533 8.355 1.00 0.00 H new ATOM 19 N SER A 3 -23.348 -14.094 4.922 1.00 0.00 N ATOM 20 CA SER A 3 -22.091 -13.418 4.626 1.00 0.00 C ATOM 21 C SER A 3 -21.815 -12.313 5.641 1.00 0.00 C ATOM 22 O SER A 3 -22.358 -11.213 5.541 1.00 0.00 O ATOM 23 CB SER A 3 -22.124 -12.831 3.213 1.00 0.00 C ATOM 24 OG SER A 3 -21.872 -13.830 2.240 1.00 0.00 O ATOM 0 H SER A 3 -24.173 -13.643 4.526 1.00 0.00 H new ATOM 0 HA SER A 3 -21.289 -14.153 4.689 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.097 -12.375 3.028 1.00 0.00 H new ATOM 0 HB3 SER A 3 -21.380 -12.039 3.127 1.00 0.00 H new ATOM 0 HG SER A 3 -21.900 -13.430 1.346 1.00 0.00 H new ATOM 30 N GLY A 4 -20.967 -12.614 6.620 1.00 0.00 N ATOM 31 CA GLY A 4 -20.634 -11.638 7.640 1.00 0.00 C ATOM 32 C GLY A 4 -19.773 -10.511 7.104 1.00 0.00 C ATOM 33 O GLY A 4 -20.131 -9.860 6.123 1.00 0.00 O ATOM 0 H GLY A 4 -20.505 -13.517 6.724 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -21.552 -11.223 8.056 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.110 -12.135 8.457 1.00 0.00 H new ATOM 37 N SER A 5 -18.636 -10.278 7.752 1.00 0.00 N ATOM 38 CA SER A 5 -17.724 -9.218 7.338 1.00 0.00 C ATOM 39 C SER A 5 -16.607 -9.774 6.460 1.00 0.00 C ATOM 40 O SER A 5 -15.772 -10.554 6.919 1.00 0.00 O ATOM 41 CB SER A 5 -17.127 -8.522 8.563 1.00 0.00 C ATOM 42 OG SER A 5 -16.596 -7.254 8.221 1.00 0.00 O ATOM 0 H SER A 5 -18.324 -10.809 8.565 1.00 0.00 H new ATOM 0 HA SER A 5 -18.291 -8.491 6.757 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.894 -8.404 9.328 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.342 -9.145 8.992 1.00 0.00 H new ATOM 0 HG SER A 5 -16.222 -6.829 9.021 1.00 0.00 H new ATOM 48 N SER A 6 -16.599 -9.367 5.195 1.00 0.00 N ATOM 49 CA SER A 6 -15.587 -9.827 4.251 1.00 0.00 C ATOM 50 C SER A 6 -15.292 -8.755 3.206 1.00 0.00 C ATOM 51 O SER A 6 -16.127 -8.459 2.352 1.00 0.00 O ATOM 52 CB SER A 6 -16.048 -11.113 3.562 1.00 0.00 C ATOM 53 OG SER A 6 -14.943 -11.862 3.086 1.00 0.00 O ATOM 0 H SER A 6 -17.281 -8.720 4.800 1.00 0.00 H new ATOM 0 HA SER A 6 -14.672 -10.030 4.808 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.626 -11.717 4.262 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.709 -10.867 2.731 1.00 0.00 H new ATOM 0 HG SER A 6 -15.265 -12.679 2.652 1.00 0.00 H new ATOM 59 N GLY A 7 -14.097 -8.177 3.281 1.00 0.00 N ATOM 60 CA GLY A 7 -13.712 -7.144 2.337 1.00 0.00 C ATOM 61 C GLY A 7 -12.240 -6.796 2.427 1.00 0.00 C ATOM 62 O GLY A 7 -11.607 -7.007 3.461 1.00 0.00 O ATOM 0 H GLY A 7 -13.389 -8.406 3.979 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.942 -7.477 1.325 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.306 -6.249 2.521 1.00 0.00 H new ATOM 66 N VAL A 8 -11.692 -6.264 1.339 1.00 0.00 N ATOM 67 CA VAL A 8 -10.284 -5.886 1.299 1.00 0.00 C ATOM 68 C VAL A 8 -10.063 -4.520 1.937 1.00 0.00 C ATOM 69 O VAL A 8 -10.917 -3.637 1.851 1.00 0.00 O ATOM 70 CB VAL A 8 -9.751 -5.858 -0.146 1.00 0.00 C ATOM 71 CG1 VAL A 8 -10.653 -5.011 -1.031 1.00 0.00 C ATOM 72 CG2 VAL A 8 -8.322 -5.339 -0.177 1.00 0.00 C ATOM 0 H VAL A 8 -12.201 -6.085 0.474 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.738 -6.640 1.865 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.752 -6.876 -0.535 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -10.261 -5.003 -2.048 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.659 -5.431 -1.033 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -10.686 -3.992 -0.647 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.962 -5.326 -1.206 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.293 -4.328 0.230 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.685 -5.990 0.422 1.00 0.00 H new ATOM 82 N ARG A 9 -8.911 -4.352 2.579 1.00 0.00 N ATOM 83 CA ARG A 9 -8.577 -3.092 3.233 1.00 0.00 C ATOM 84 C ARG A 9 -7.584 -2.291 2.396 1.00 0.00 C ATOM 85 O ARG A 9 -7.207 -2.703 1.299 1.00 0.00 O ATOM 86 CB ARG A 9 -7.994 -3.354 4.623 1.00 0.00 C ATOM 87 CG ARG A 9 -9.017 -3.863 5.626 1.00 0.00 C ATOM 88 CD ARG A 9 -8.372 -4.756 6.674 1.00 0.00 C ATOM 89 NE ARG A 9 -9.362 -5.374 7.552 1.00 0.00 N ATOM 90 CZ ARG A 9 -10.024 -4.712 8.494 1.00 0.00 C ATOM 91 NH1 ARG A 9 -9.801 -3.418 8.681 1.00 0.00 N ATOM 92 NH2 ARG A 9 -10.910 -5.344 9.253 1.00 0.00 N ATOM 0 H ARG A 9 -8.194 -5.072 2.660 1.00 0.00 H new ATOM 0 HA ARG A 9 -9.493 -2.510 3.334 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -7.187 -4.082 4.538 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -7.553 -2.432 5.002 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -9.501 -3.017 6.115 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -9.796 -4.418 5.103 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -7.791 -5.534 6.179 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -7.675 -4.168 7.271 1.00 0.00 H new ATOM 0 HE ARG A 9 -9.556 -6.369 7.435 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -9.120 -2.929 8.101 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -10.311 -2.912 9.405 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -11.083 -6.339 9.113 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -11.418 -4.834 9.976 1.00 0.00 H new ATOM 106 N TYR A 10 -7.165 -1.145 2.921 1.00 0.00 N ATOM 107 CA TYR A 10 -6.219 -0.285 2.221 1.00 0.00 C ATOM 108 C TYR A 10 -5.219 0.331 3.196 1.00 0.00 C ATOM 109 O TYR A 10 -5.601 1.015 4.146 1.00 0.00 O ATOM 110 CB TYR A 10 -6.962 0.820 1.469 1.00 0.00 C ATOM 111 CG TYR A 10 -7.983 0.300 0.483 1.00 0.00 C ATOM 112 CD1 TYR A 10 -9.089 -0.421 0.914 1.00 0.00 C ATOM 113 CD2 TYR A 10 -7.843 0.531 -0.880 1.00 0.00 C ATOM 114 CE1 TYR A 10 -10.025 -0.899 0.017 1.00 0.00 C ATOM 115 CE2 TYR A 10 -8.774 0.059 -1.784 1.00 0.00 C ATOM 116 CZ TYR A 10 -9.863 -0.656 -1.331 1.00 0.00 C ATOM 117 OH TYR A 10 -10.793 -1.129 -2.228 1.00 0.00 O ATOM 0 H TYR A 10 -7.466 -0.790 3.829 1.00 0.00 H new ATOM 0 HA TYR A 10 -5.671 -0.897 1.505 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -7.462 1.466 2.191 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -6.237 1.437 0.938 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -9.220 -0.611 1.969 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.991 1.090 -1.239 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -10.878 -1.460 0.369 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -8.650 0.249 -2.840 1.00 0.00 H new ATOM 0 HH TYR A 10 -10.532 -0.871 -3.137 1.00 0.00 H new ATOM 127 N PHE A 11 -3.936 0.085 2.952 1.00 0.00 N ATOM 128 CA PHE A 11 -2.880 0.614 3.807 1.00 0.00 C ATOM 129 C PHE A 11 -1.866 1.408 2.990 1.00 0.00 C ATOM 130 O PHE A 11 -1.481 1.001 1.893 1.00 0.00 O ATOM 131 CB PHE A 11 -2.176 -0.524 4.548 1.00 0.00 C ATOM 132 CG PHE A 11 -3.123 -1.481 5.215 1.00 0.00 C ATOM 133 CD1 PHE A 11 -3.691 -2.524 4.502 1.00 0.00 C ATOM 134 CD2 PHE A 11 -3.443 -1.337 6.556 1.00 0.00 C ATOM 135 CE1 PHE A 11 -4.563 -3.405 5.114 1.00 0.00 C ATOM 136 CE2 PHE A 11 -4.314 -2.216 7.173 1.00 0.00 C ATOM 137 CZ PHE A 11 -4.874 -3.252 6.451 1.00 0.00 C ATOM 0 H PHE A 11 -3.603 -0.477 2.169 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.338 1.283 4.535 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.552 -1.074 3.844 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.510 -0.100 5.300 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.450 -2.650 3.457 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -3.007 -0.529 7.125 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.001 -4.213 4.547 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -4.556 -2.093 8.218 1.00 0.00 H new ATOM 0 HZ PHE A 11 -5.553 -3.941 6.931 1.00 0.00 H new ATOM 147 N ILE A 12 -1.437 2.543 3.531 1.00 0.00 N ATOM 148 CA ILE A 12 -0.467 3.394 2.853 1.00 0.00 C ATOM 149 C ILE A 12 0.954 3.073 3.301 1.00 0.00 C ATOM 150 O ILE A 12 1.308 3.268 4.463 1.00 0.00 O ATOM 151 CB ILE A 12 -0.750 4.886 3.111 1.00 0.00 C ATOM 152 CG1 ILE A 12 -2.081 5.293 2.475 1.00 0.00 C ATOM 153 CG2 ILE A 12 0.385 5.742 2.569 1.00 0.00 C ATOM 154 CD1 ILE A 12 -2.026 5.388 0.966 1.00 0.00 C ATOM 0 H ILE A 12 -1.746 2.895 4.437 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.563 3.193 1.786 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.819 5.046 4.187 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.846 4.570 2.758 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.389 6.257 2.881 1.00 0.00 H new ATOM 0 HG21 ILE A 12 0.170 6.794 2.759 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.317 5.467 3.064 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.482 5.580 1.496 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.004 5.681 0.584 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.285 6.133 0.675 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.749 4.419 0.550 1.00 0.00 H new ATOM 166 N MET A 13 1.765 2.580 2.370 1.00 0.00 N ATOM 167 CA MET A 13 3.150 2.235 2.669 1.00 0.00 C ATOM 168 C MET A 13 4.111 3.211 1.998 1.00 0.00 C ATOM 169 O MET A 13 4.229 3.238 0.772 1.00 0.00 O ATOM 170 CB MET A 13 3.452 0.807 2.211 1.00 0.00 C ATOM 171 CG MET A 13 2.299 -0.159 2.433 1.00 0.00 C ATOM 172 SD MET A 13 1.448 0.124 3.997 1.00 0.00 S ATOM 173 CE MET A 13 2.670 -0.474 5.161 1.00 0.00 C ATOM 0 H MET A 13 1.487 2.411 1.403 1.00 0.00 H new ATOM 0 HA MET A 13 3.290 2.300 3.748 1.00 0.00 H new ATOM 0 HB2 MET A 13 3.705 0.820 1.151 1.00 0.00 H new ATOM 0 HB3 MET A 13 4.330 0.441 2.744 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.587 -0.063 1.614 1.00 0.00 H new ATOM 0 HG3 MET A 13 2.677 -1.181 2.409 1.00 0.00 H new ATOM 0 HE1 MET A 13 2.227 -1.247 5.789 1.00 0.00 H new ATOM 0 HE2 MET A 13 3.517 -0.891 4.617 1.00 0.00 H new ATOM 0 HE3 MET A 13 3.011 0.351 5.787 1.00 0.00 H new ATOM 183 N LYS A 14 4.796 4.011 2.807 1.00 0.00 N ATOM 184 CA LYS A 14 5.748 4.988 2.292 1.00 0.00 C ATOM 185 C LYS A 14 7.143 4.382 2.178 1.00 0.00 C ATOM 186 O LYS A 14 7.557 3.591 3.026 1.00 0.00 O ATOM 187 CB LYS A 14 5.788 6.219 3.201 1.00 0.00 C ATOM 188 CG LYS A 14 4.413 6.719 3.610 1.00 0.00 C ATOM 189 CD LYS A 14 3.676 7.343 2.437 1.00 0.00 C ATOM 190 CE LYS A 14 4.254 8.703 2.075 1.00 0.00 C ATOM 191 NZ LYS A 14 3.264 9.554 1.359 1.00 0.00 N ATOM 0 H LYS A 14 4.710 4.002 3.823 1.00 0.00 H new ATOM 0 HA LYS A 14 5.420 5.288 1.297 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.360 5.980 4.098 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.319 7.021 2.689 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.828 5.891 4.010 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.514 7.453 4.409 1.00 0.00 H new ATOM 0 HD2 LYS A 14 3.736 6.680 1.574 1.00 0.00 H new ATOM 0 HD3 LYS A 14 2.620 7.450 2.685 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.581 9.211 2.982 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.136 8.568 1.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.702 10.465 1.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 2.958 9.073 0.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 2.440 9.719 1.972 1.00 0.00 H new ATOM 205 N SER A 15 7.862 4.757 1.126 1.00 0.00 N ATOM 206 CA SER A 15 9.210 4.248 0.900 1.00 0.00 C ATOM 207 C SER A 15 10.222 5.389 0.860 1.00 0.00 C ATOM 208 O SER A 15 10.080 6.333 0.083 1.00 0.00 O ATOM 209 CB SER A 15 9.266 3.456 -0.407 1.00 0.00 C ATOM 210 OG SER A 15 8.307 2.413 -0.413 1.00 0.00 O ATOM 0 H SER A 15 7.534 5.412 0.416 1.00 0.00 H new ATOM 0 HA SER A 15 9.466 3.587 1.728 1.00 0.00 H new ATOM 0 HB2 SER A 15 9.086 4.125 -1.249 1.00 0.00 H new ATOM 0 HB3 SER A 15 10.264 3.038 -0.540 1.00 0.00 H new ATOM 0 HG SER A 15 8.616 1.681 0.161 1.00 0.00 H new ATOM 216 N SER A 16 11.244 5.295 1.705 1.00 0.00 N ATOM 217 CA SER A 16 12.279 6.320 1.770 1.00 0.00 C ATOM 218 C SER A 16 12.808 6.648 0.377 1.00 0.00 C ATOM 219 O SER A 16 12.950 7.814 0.014 1.00 0.00 O ATOM 220 CB SER A 16 13.428 5.858 2.669 1.00 0.00 C ATOM 221 OG SER A 16 13.099 6.015 4.038 1.00 0.00 O ATOM 0 H SER A 16 11.377 4.519 2.354 1.00 0.00 H new ATOM 0 HA SER A 16 11.836 7.222 2.193 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.656 4.812 2.464 1.00 0.00 H new ATOM 0 HB3 SER A 16 14.326 6.431 2.440 1.00 0.00 H new ATOM 0 HG SER A 16 13.849 5.711 4.591 1.00 0.00 H new ATOM 227 N ASN A 17 13.097 5.608 -0.399 1.00 0.00 N ATOM 228 CA ASN A 17 13.611 5.784 -1.752 1.00 0.00 C ATOM 229 C ASN A 17 12.854 4.902 -2.740 1.00 0.00 C ATOM 230 O ASN A 17 11.981 4.123 -2.353 1.00 0.00 O ATOM 231 CB ASN A 17 15.105 5.456 -1.800 1.00 0.00 C ATOM 232 CG ASN A 17 15.838 6.254 -2.860 1.00 0.00 C ATOM 233 OD1 ASN A 17 15.578 7.442 -3.050 1.00 0.00 O ATOM 234 ND2 ASN A 17 16.761 5.602 -3.558 1.00 0.00 N ATOM 0 H ASN A 17 12.984 4.635 -0.114 1.00 0.00 H new ATOM 0 HA ASN A 17 13.466 6.826 -2.036 1.00 0.00 H new ATOM 0 HB2 ASN A 17 15.550 5.657 -0.825 1.00 0.00 H new ATOM 0 HB3 ASN A 17 15.234 4.392 -1.996 1.00 0.00 H new ATOM 0 HD21 ASN A 17 17.287 6.086 -4.285 1.00 0.00 H new ATOM 0 HD22 ASN A 17 16.944 4.617 -3.367 1.00 0.00 H new ATOM 241 N LEU A 18 13.194 5.028 -4.018 1.00 0.00 N ATOM 242 CA LEU A 18 12.547 4.242 -5.063 1.00 0.00 C ATOM 243 C LEU A 18 13.181 2.859 -5.175 1.00 0.00 C ATOM 244 O LEU A 18 12.481 1.847 -5.232 1.00 0.00 O ATOM 245 CB LEU A 18 12.641 4.968 -6.407 1.00 0.00 C ATOM 246 CG LEU A 18 11.668 4.502 -7.490 1.00 0.00 C ATOM 247 CD1 LEU A 18 11.260 3.056 -7.256 1.00 0.00 C ATOM 248 CD2 LEU A 18 10.443 5.403 -7.531 1.00 0.00 C ATOM 0 H LEU A 18 13.914 5.667 -4.356 1.00 0.00 H new ATOM 0 HA LEU A 18 11.498 4.121 -4.795 1.00 0.00 H new ATOM 0 HB2 LEU A 18 12.479 6.032 -6.235 1.00 0.00 H new ATOM 0 HB3 LEU A 18 13.657 4.857 -6.787 1.00 0.00 H new ATOM 0 HG LEU A 18 12.172 4.564 -8.454 1.00 0.00 H new ATOM 0 HD11 LEU A 18 10.567 2.742 -8.037 1.00 0.00 H new ATOM 0 HD12 LEU A 18 12.145 2.420 -7.279 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.775 2.968 -6.284 1.00 0.00 H new ATOM 0 HD21 LEU A 18 9.762 5.056 -8.308 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.938 5.374 -6.566 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.751 6.426 -7.749 1.00 0.00 H new ATOM 260 N ARG A 19 14.509 2.822 -5.202 1.00 0.00 N ATOM 261 CA ARG A 19 15.236 1.563 -5.306 1.00 0.00 C ATOM 262 C ARG A 19 14.582 0.485 -4.447 1.00 0.00 C ATOM 263 O ARG A 19 14.290 -0.611 -4.925 1.00 0.00 O ATOM 264 CB ARG A 19 16.693 1.755 -4.880 1.00 0.00 C ATOM 265 CG ARG A 19 17.449 0.450 -4.690 1.00 0.00 C ATOM 266 CD ARG A 19 17.416 -0.401 -5.950 1.00 0.00 C ATOM 267 NE ARG A 19 18.589 -1.263 -6.060 1.00 0.00 N ATOM 268 CZ ARG A 19 19.805 -0.816 -6.355 1.00 0.00 C ATOM 269 NH1 ARG A 19 20.005 0.477 -6.569 1.00 0.00 N ATOM 270 NH2 ARG A 19 20.823 -1.663 -6.437 1.00 0.00 N ATOM 0 H ARG A 19 15.103 3.650 -5.153 1.00 0.00 H new ATOM 0 HA ARG A 19 15.208 1.241 -6.347 1.00 0.00 H new ATOM 0 HB2 ARG A 19 17.206 2.356 -5.631 1.00 0.00 H new ATOM 0 HB3 ARG A 19 16.719 2.319 -3.948 1.00 0.00 H new ATOM 0 HG2 ARG A 19 18.483 0.663 -4.421 1.00 0.00 H new ATOM 0 HG3 ARG A 19 17.012 -0.108 -3.861 1.00 0.00 H new ATOM 0 HD2 ARG A 19 16.515 -1.014 -5.950 1.00 0.00 H new ATOM 0 HD3 ARG A 19 17.360 0.248 -6.824 1.00 0.00 H new ATOM 0 HE ARG A 19 18.469 -2.263 -5.902 1.00 0.00 H new ATOM 0 HH11 ARG A 19 19.225 1.131 -6.507 1.00 0.00 H new ATOM 0 HH12 ARG A 19 20.939 0.818 -6.795 1.00 0.00 H new ATOM 0 HH21 ARG A 19 20.673 -2.659 -6.274 1.00 0.00 H new ATOM 0 HH22 ARG A 19 21.756 -1.319 -6.664 1.00 0.00 H new ATOM 284 N ASN A 20 14.355 0.804 -3.177 1.00 0.00 N ATOM 285 CA ASN A 20 13.737 -0.138 -2.251 1.00 0.00 C ATOM 286 C ASN A 20 12.476 -0.748 -2.857 1.00 0.00 C ATOM 287 O ASN A 20 12.187 -1.928 -2.658 1.00 0.00 O ATOM 288 CB ASN A 20 13.396 0.560 -0.932 1.00 0.00 C ATOM 289 CG ASN A 20 14.550 1.390 -0.403 1.00 0.00 C ATOM 290 OD1 ASN A 20 15.700 1.196 -0.796 1.00 0.00 O ATOM 291 ND2 ASN A 20 14.246 2.320 0.495 1.00 0.00 N ATOM 0 H ASN A 20 14.590 1.707 -2.766 1.00 0.00 H new ATOM 0 HA ASN A 20 14.450 -0.939 -2.057 1.00 0.00 H new ATOM 0 HB2 ASN A 20 12.527 1.202 -1.078 1.00 0.00 H new ATOM 0 HB3 ASN A 20 13.119 -0.188 -0.189 1.00 0.00 H new ATOM 0 HD21 ASN A 20 14.980 2.909 0.888 1.00 0.00 H new ATOM 0 HD22 ASN A 20 13.278 2.446 0.792 1.00 0.00 H new ATOM 298 N LEU A 21 11.730 0.064 -3.597 1.00 0.00 N ATOM 299 CA LEU A 21 10.500 -0.394 -4.233 1.00 0.00 C ATOM 300 C LEU A 21 10.804 -1.370 -5.365 1.00 0.00 C ATOM 301 O LEU A 21 10.101 -2.364 -5.546 1.00 0.00 O ATOM 302 CB LEU A 21 9.705 0.797 -4.771 1.00 0.00 C ATOM 303 CG LEU A 21 8.220 0.548 -5.037 1.00 0.00 C ATOM 304 CD1 LEU A 21 7.440 0.528 -3.732 1.00 0.00 C ATOM 305 CD2 LEU A 21 7.663 1.606 -5.978 1.00 0.00 C ATOM 0 H LEU A 21 11.955 1.043 -3.772 1.00 0.00 H new ATOM 0 HA LEU A 21 9.903 -0.911 -3.482 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.793 1.618 -4.060 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.169 1.128 -5.700 1.00 0.00 H new ATOM 0 HG LEU A 21 8.114 -0.426 -5.514 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.385 0.350 -3.941 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.822 -0.267 -3.092 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.552 1.487 -3.226 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.605 1.414 -6.157 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.782 2.592 -5.528 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.203 1.572 -6.924 1.00 0.00 H new ATOM 317 N GLU A 22 11.857 -1.080 -6.123 1.00 0.00 N ATOM 318 CA GLU A 22 12.254 -1.933 -7.237 1.00 0.00 C ATOM 319 C GLU A 22 12.331 -3.394 -6.802 1.00 0.00 C ATOM 320 O GLU A 22 11.919 -4.293 -7.536 1.00 0.00 O ATOM 321 CB GLU A 22 13.606 -1.484 -7.796 1.00 0.00 C ATOM 322 CG GLU A 22 13.553 -0.147 -8.514 1.00 0.00 C ATOM 323 CD GLU A 22 12.952 -0.253 -9.902 1.00 0.00 C ATOM 324 OE1 GLU A 22 13.472 -1.049 -10.713 1.00 0.00 O ATOM 325 OE2 GLU A 22 11.963 0.457 -10.178 1.00 0.00 O ATOM 0 H GLU A 22 12.450 -0.261 -5.986 1.00 0.00 H new ATOM 0 HA GLU A 22 11.499 -1.843 -8.018 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.324 -1.420 -6.979 1.00 0.00 H new ATOM 0 HB3 GLU A 22 13.975 -2.243 -8.486 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.968 0.556 -7.922 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.561 0.261 -8.589 1.00 0.00 H new ATOM 332 N ILE A 23 12.862 -3.622 -5.606 1.00 0.00 N ATOM 333 CA ILE A 23 12.993 -4.973 -5.073 1.00 0.00 C ATOM 334 C ILE A 23 11.653 -5.700 -5.084 1.00 0.00 C ATOM 335 O ILE A 23 11.594 -6.912 -5.290 1.00 0.00 O ATOM 336 CB ILE A 23 13.546 -4.960 -3.636 1.00 0.00 C ATOM 337 CG1 ILE A 23 14.992 -4.459 -3.627 1.00 0.00 C ATOM 338 CG2 ILE A 23 13.458 -6.350 -3.023 1.00 0.00 C ATOM 339 CD1 ILE A 23 15.111 -2.958 -3.772 1.00 0.00 C ATOM 0 H ILE A 23 13.209 -2.889 -4.987 1.00 0.00 H new ATOM 0 HA ILE A 23 13.695 -5.501 -5.719 1.00 0.00 H new ATOM 0 HB ILE A 23 12.942 -4.280 -3.036 1.00 0.00 H new ATOM 0 HG12 ILE A 23 15.468 -4.765 -2.696 1.00 0.00 H new ATOM 0 HG13 ILE A 23 15.540 -4.939 -4.438 1.00 0.00 H new ATOM 0 HG21 ILE A 23 13.853 -6.325 -2.007 1.00 0.00 H new ATOM 0 HG22 ILE A 23 12.417 -6.672 -3.000 1.00 0.00 H new ATOM 0 HG23 ILE A 23 14.041 -7.049 -3.622 1.00 0.00 H new ATOM 0 HD11 ILE A 23 16.163 -2.673 -3.757 1.00 0.00 H new ATOM 0 HD12 ILE A 23 14.664 -2.647 -4.716 1.00 0.00 H new ATOM 0 HD13 ILE A 23 14.592 -2.470 -2.947 1.00 0.00 H new ATOM 351 N SER A 24 10.577 -4.951 -4.863 1.00 0.00 N ATOM 352 CA SER A 24 9.237 -5.524 -4.845 1.00 0.00 C ATOM 353 C SER A 24 8.733 -5.773 -6.263 1.00 0.00 C ATOM 354 O SER A 24 7.777 -6.519 -6.471 1.00 0.00 O ATOM 355 CB SER A 24 8.272 -4.596 -4.104 1.00 0.00 C ATOM 356 OG SER A 24 7.006 -5.209 -3.930 1.00 0.00 O ATOM 0 H SER A 24 10.608 -3.946 -4.694 1.00 0.00 H new ATOM 0 HA SER A 24 9.285 -6.479 -4.322 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.689 -4.334 -3.132 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.156 -3.667 -4.662 1.00 0.00 H new ATOM 0 HG SER A 24 7.065 -5.887 -3.225 1.00 0.00 H new ATOM 362 N GLN A 25 9.385 -5.143 -7.235 1.00 0.00 N ATOM 363 CA GLN A 25 9.004 -5.295 -8.634 1.00 0.00 C ATOM 364 C GLN A 25 9.729 -6.475 -9.271 1.00 0.00 C ATOM 365 O GLN A 25 9.225 -7.094 -10.207 1.00 0.00 O ATOM 366 CB GLN A 25 9.310 -4.013 -9.410 1.00 0.00 C ATOM 367 CG GLN A 25 8.412 -2.845 -9.036 1.00 0.00 C ATOM 368 CD GLN A 25 8.588 -1.655 -9.958 1.00 0.00 C ATOM 369 OE1 GLN A 25 8.852 -1.812 -11.150 1.00 0.00 O ATOM 370 NE2 GLN A 25 8.442 -0.454 -9.409 1.00 0.00 N ATOM 0 H GLN A 25 10.179 -4.523 -7.079 1.00 0.00 H new ATOM 0 HA GLN A 25 7.932 -5.488 -8.673 1.00 0.00 H new ATOM 0 HB2 GLN A 25 10.349 -3.732 -9.236 1.00 0.00 H new ATOM 0 HB3 GLN A 25 9.208 -4.211 -10.477 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.372 -3.169 -9.062 1.00 0.00 H new ATOM 0 HG3 GLN A 25 8.626 -2.541 -8.011 1.00 0.00 H new ATOM 0 HE21 GLN A 25 8.223 -0.370 -8.416 1.00 0.00 H new ATOM 0 HE22 GLN A 25 8.549 0.384 -9.980 1.00 0.00 H new ATOM 379 N GLN A 26 10.916 -6.782 -8.756 1.00 0.00 N ATOM 380 CA GLN A 26 11.711 -7.888 -9.276 1.00 0.00 C ATOM 381 C GLN A 26 11.541 -9.134 -8.413 1.00 0.00 C ATOM 382 O GLN A 26 11.076 -10.171 -8.886 1.00 0.00 O ATOM 383 CB GLN A 26 13.188 -7.495 -9.341 1.00 0.00 C ATOM 384 CG GLN A 26 13.434 -6.158 -10.021 1.00 0.00 C ATOM 385 CD GLN A 26 13.500 -6.275 -11.531 1.00 0.00 C ATOM 386 OE1 GLN A 26 12.472 -6.369 -12.203 1.00 0.00 O ATOM 387 NE2 GLN A 26 14.712 -6.269 -12.073 1.00 0.00 N ATOM 0 H GLN A 26 11.348 -6.280 -7.980 1.00 0.00 H new ATOM 0 HA GLN A 26 11.358 -8.115 -10.282 1.00 0.00 H new ATOM 0 HB2 GLN A 26 13.590 -7.457 -8.329 1.00 0.00 H new ATOM 0 HB3 GLN A 26 13.738 -8.271 -9.874 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.639 -5.464 -9.749 1.00 0.00 H new ATOM 0 HG3 GLN A 26 14.368 -5.733 -9.652 1.00 0.00 H new ATOM 0 HE21 GLN A 26 15.536 -6.189 -11.478 1.00 0.00 H new ATOM 0 HE22 GLN A 26 14.819 -6.344 -13.085 1.00 0.00 H new ATOM 396 N LYS A 27 11.921 -9.025 -7.145 1.00 0.00 N ATOM 397 CA LYS A 27 11.810 -10.142 -6.214 1.00 0.00 C ATOM 398 C LYS A 27 10.349 -10.504 -5.971 1.00 0.00 C ATOM 399 O LYS A 27 10.012 -11.673 -5.787 1.00 0.00 O ATOM 400 CB LYS A 27 12.489 -9.796 -4.887 1.00 0.00 C ATOM 401 CG LYS A 27 13.776 -9.006 -5.049 1.00 0.00 C ATOM 402 CD LYS A 27 14.696 -9.644 -6.077 1.00 0.00 C ATOM 403 CE LYS A 27 16.081 -9.017 -6.051 1.00 0.00 C ATOM 404 NZ LYS A 27 16.966 -9.668 -5.045 1.00 0.00 N ATOM 0 H LYS A 27 12.309 -8.174 -6.738 1.00 0.00 H new ATOM 0 HA LYS A 27 12.310 -11.003 -6.657 1.00 0.00 H new ATOM 0 HB2 LYS A 27 11.795 -9.222 -4.273 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.704 -10.718 -4.348 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.542 -7.986 -5.352 1.00 0.00 H new ATOM 0 HG3 LYS A 27 14.289 -8.944 -4.089 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.776 -10.713 -5.881 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.264 -9.533 -7.072 1.00 0.00 H new ATOM 0 HE2 LYS A 27 16.534 -9.097 -7.039 1.00 0.00 H new ATOM 0 HE3 LYS A 27 15.994 -7.954 -5.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 17.957 -9.426 -5.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 16.714 -9.334 -4.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 16.846 -10.700 -5.093 1.00 0.00 H new ATOM 418 N GLY A 28 9.485 -9.494 -5.973 1.00 0.00 N ATOM 419 CA GLY A 28 8.070 -9.728 -5.753 1.00 0.00 C ATOM 420 C GLY A 28 7.713 -9.783 -4.280 1.00 0.00 C ATOM 421 O GLY A 28 6.815 -10.524 -3.880 1.00 0.00 O ATOM 0 H GLY A 28 9.740 -8.518 -6.123 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.495 -8.936 -6.234 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.782 -10.665 -6.229 1.00 0.00 H new ATOM 425 N ILE A 29 8.419 -8.998 -3.473 1.00 0.00 N ATOM 426 CA ILE A 29 8.172 -8.962 -2.036 1.00 0.00 C ATOM 427 C ILE A 29 8.353 -7.553 -1.483 1.00 0.00 C ATOM 428 O ILE A 29 8.840 -6.660 -2.177 1.00 0.00 O ATOM 429 CB ILE A 29 9.108 -9.922 -1.280 1.00 0.00 C ATOM 430 CG1 ILE A 29 10.515 -9.875 -1.878 1.00 0.00 C ATOM 431 CG2 ILE A 29 8.557 -11.340 -1.320 1.00 0.00 C ATOM 432 CD1 ILE A 29 11.325 -8.680 -1.424 1.00 0.00 C ATOM 0 H ILE A 29 9.166 -8.379 -3.789 1.00 0.00 H new ATOM 0 HA ILE A 29 7.140 -9.280 -1.885 1.00 0.00 H new ATOM 0 HB ILE A 29 9.166 -9.604 -0.239 1.00 0.00 H new ATOM 0 HG12 ILE A 29 11.046 -10.788 -1.608 1.00 0.00 H new ATOM 0 HG13 ILE A 29 10.439 -9.860 -2.965 1.00 0.00 H new ATOM 0 HG21 ILE A 29 9.230 -12.007 -0.781 1.00 0.00 H new ATOM 0 HG22 ILE A 29 7.573 -11.361 -0.852 1.00 0.00 H new ATOM 0 HG23 ILE A 29 8.473 -11.669 -2.356 1.00 0.00 H new ATOM 0 HD11 ILE A 29 12.311 -8.712 -1.887 1.00 0.00 H new ATOM 0 HD12 ILE A 29 10.815 -7.762 -1.718 1.00 0.00 H new ATOM 0 HD13 ILE A 29 11.433 -8.704 -0.340 1.00 0.00 H new ATOM 444 N TRP A 30 7.958 -7.360 -0.230 1.00 0.00 N ATOM 445 CA TRP A 30 8.079 -6.059 0.418 1.00 0.00 C ATOM 446 C TRP A 30 8.316 -6.217 1.916 1.00 0.00 C ATOM 447 O TRP A 30 7.580 -6.928 2.599 1.00 0.00 O ATOM 448 CB TRP A 30 6.819 -5.226 0.174 1.00 0.00 C ATOM 449 CG TRP A 30 6.910 -3.836 0.725 1.00 0.00 C ATOM 450 CD1 TRP A 30 6.162 -3.305 1.737 1.00 0.00 C ATOM 451 CD2 TRP A 30 7.798 -2.799 0.294 1.00 0.00 C ATOM 452 NE1 TRP A 30 6.532 -2.000 1.961 1.00 0.00 N ATOM 453 CE2 TRP A 30 7.534 -1.667 1.089 1.00 0.00 C ATOM 454 CE3 TRP A 30 8.792 -2.718 -0.685 1.00 0.00 C ATOM 455 CZ2 TRP A 30 8.228 -0.469 0.932 1.00 0.00 C ATOM 456 CZ3 TRP A 30 9.479 -1.529 -0.840 1.00 0.00 C ATOM 457 CH2 TRP A 30 9.195 -0.418 -0.034 1.00 0.00 C ATOM 0 H TRP A 30 7.551 -8.088 0.358 1.00 0.00 H new ATOM 0 HA TRP A 30 8.937 -5.544 -0.014 1.00 0.00 H new ATOM 0 HB2 TRP A 30 6.630 -5.172 -0.898 1.00 0.00 H new ATOM 0 HB3 TRP A 30 5.965 -5.732 0.624 1.00 0.00 H new ATOM 0 HD1 TRP A 30 5.393 -3.833 2.281 1.00 0.00 H new ATOM 0 HE1 TRP A 30 6.126 -1.381 2.663 1.00 0.00 H new ATOM 0 HE3 TRP A 30 9.019 -3.569 -1.309 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 8.010 0.389 1.551 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 10.248 -1.455 -1.595 1.00 0.00 H new ATOM 0 HH2 TRP A 30 9.751 0.497 -0.179 1.00 0.00 H new ATOM 468 N SER A 31 9.348 -5.548 2.421 1.00 0.00 N ATOM 469 CA SER A 31 9.684 -5.617 3.838 1.00 0.00 C ATOM 470 C SER A 31 9.412 -4.283 4.527 1.00 0.00 C ATOM 471 O SER A 31 10.110 -3.296 4.292 1.00 0.00 O ATOM 472 CB SER A 31 11.153 -6.007 4.017 1.00 0.00 C ATOM 473 OG SER A 31 11.430 -6.342 5.366 1.00 0.00 O ATOM 0 H SER A 31 9.966 -4.952 1.870 1.00 0.00 H new ATOM 0 HA SER A 31 9.055 -6.378 4.299 1.00 0.00 H new ATOM 0 HB2 SER A 31 11.389 -6.854 3.373 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.793 -5.181 3.705 1.00 0.00 H new ATOM 0 HG SER A 31 12.149 -7.007 5.397 1.00 0.00 H new ATOM 479 N THR A 32 8.392 -4.261 5.378 1.00 0.00 N ATOM 480 CA THR A 32 8.025 -3.049 6.101 1.00 0.00 C ATOM 481 C THR A 32 8.326 -3.184 7.589 1.00 0.00 C ATOM 482 O THR A 32 8.662 -4.267 8.070 1.00 0.00 O ATOM 483 CB THR A 32 6.532 -2.716 5.918 1.00 0.00 C ATOM 484 OG1 THR A 32 6.307 -1.325 6.171 1.00 0.00 O ATOM 485 CG2 THR A 32 5.673 -3.553 6.854 1.00 0.00 C ATOM 0 H THR A 32 7.805 -5.069 5.584 1.00 0.00 H new ATOM 0 HA THR A 32 8.624 -2.239 5.685 1.00 0.00 H new ATOM 0 HB THR A 32 6.253 -2.948 4.890 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.356 -1.120 6.051 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.623 -3.301 6.707 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.826 -4.611 6.640 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.954 -3.348 7.887 1.00 0.00 H new ATOM 493 N THR A 33 8.203 -2.078 8.316 1.00 0.00 N ATOM 494 CA THR A 33 8.462 -2.073 9.750 1.00 0.00 C ATOM 495 C THR A 33 7.563 -3.068 10.475 1.00 0.00 C ATOM 496 O THR A 33 6.387 -3.228 10.151 1.00 0.00 O ATOM 497 CB THR A 33 8.250 -0.672 10.354 1.00 0.00 C ATOM 498 OG1 THR A 33 8.886 -0.589 11.634 1.00 0.00 O ATOM 499 CG2 THR A 33 6.767 -0.363 10.498 1.00 0.00 C ATOM 0 H THR A 33 7.925 -1.174 7.935 1.00 0.00 H new ATOM 0 HA THR A 33 9.504 -2.365 9.884 1.00 0.00 H new ATOM 0 HB THR A 33 8.694 0.061 9.680 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.748 0.305 12.010 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.642 0.631 10.927 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.291 -0.398 9.518 1.00 0.00 H new ATOM 0 HG23 THR A 33 6.304 -1.101 11.153 1.00 0.00 H new ATOM 507 N PRO A 34 8.128 -3.753 11.480 1.00 0.00 N ATOM 508 CA PRO A 34 7.394 -4.744 12.273 1.00 0.00 C ATOM 509 C PRO A 34 6.341 -4.104 13.170 1.00 0.00 C ATOM 510 O PRO A 34 5.648 -4.792 13.920 1.00 0.00 O ATOM 511 CB PRO A 34 8.487 -5.403 13.117 1.00 0.00 C ATOM 512 CG PRO A 34 9.561 -4.375 13.217 1.00 0.00 C ATOM 513 CD PRO A 34 9.526 -3.613 11.921 1.00 0.00 C ATOM 0 HA PRO A 34 6.843 -5.443 11.643 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.113 -5.681 14.102 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.855 -6.315 12.646 1.00 0.00 H new ATOM 0 HG2 PRO A 34 9.389 -3.712 14.065 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.534 -4.841 13.370 1.00 0.00 H new ATOM 0 HD2 PRO A 34 9.800 -2.567 12.062 1.00 0.00 H new ATOM 0 HD3 PRO A 34 10.221 -4.029 11.192 1.00 0.00 H new ATOM 521 N SER A 35 6.225 -2.782 13.089 1.00 0.00 N ATOM 522 CA SER A 35 5.258 -2.048 13.897 1.00 0.00 C ATOM 523 C SER A 35 3.951 -1.851 13.134 1.00 0.00 C ATOM 524 O SER A 35 2.936 -1.464 13.710 1.00 0.00 O ATOM 525 CB SER A 35 5.831 -0.691 14.309 1.00 0.00 C ATOM 526 OG SER A 35 6.838 -0.841 15.294 1.00 0.00 O ATOM 0 H SER A 35 6.789 -2.197 12.472 1.00 0.00 H new ATOM 0 HA SER A 35 5.051 -2.634 14.793 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.244 -0.187 13.435 1.00 0.00 H new ATOM 0 HB3 SER A 35 5.032 -0.057 14.694 1.00 0.00 H new ATOM 0 HG SER A 35 7.190 0.040 15.539 1.00 0.00 H new ATOM 532 N ASN A 36 3.987 -2.120 11.833 1.00 0.00 N ATOM 533 CA ASN A 36 2.806 -1.971 10.989 1.00 0.00 C ATOM 534 C ASN A 36 2.510 -3.264 10.236 1.00 0.00 C ATOM 535 O ASN A 36 1.808 -3.258 9.225 1.00 0.00 O ATOM 536 CB ASN A 36 3.004 -0.824 9.997 1.00 0.00 C ATOM 537 CG ASN A 36 3.817 0.314 10.583 1.00 0.00 C ATOM 538 OD1 ASN A 36 3.924 0.452 11.801 1.00 0.00 O ATOM 539 ND2 ASN A 36 4.396 1.136 9.715 1.00 0.00 N ATOM 0 H ASN A 36 4.820 -2.442 11.340 1.00 0.00 H new ATOM 0 HA ASN A 36 1.956 -1.743 11.632 1.00 0.00 H new ATOM 0 HB2 ASN A 36 3.503 -1.201 9.105 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.031 -0.447 9.683 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.956 1.920 10.050 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.280 0.984 8.713 1.00 0.00 H new ATOM 546 N GLU A 37 3.048 -4.372 10.737 1.00 0.00 N ATOM 547 CA GLU A 37 2.841 -5.672 10.111 1.00 0.00 C ATOM 548 C GLU A 37 1.618 -6.370 10.699 1.00 0.00 C ATOM 549 O GLU A 37 0.733 -6.814 9.968 1.00 0.00 O ATOM 550 CB GLU A 37 4.080 -6.552 10.290 1.00 0.00 C ATOM 551 CG GLU A 37 5.172 -6.281 9.269 1.00 0.00 C ATOM 552 CD GLU A 37 6.298 -7.294 9.337 1.00 0.00 C ATOM 553 OE1 GLU A 37 6.407 -7.994 10.366 1.00 0.00 O ATOM 554 OE2 GLU A 37 7.071 -7.387 8.360 1.00 0.00 O ATOM 0 H GLU A 37 3.630 -4.395 11.574 1.00 0.00 H new ATOM 0 HA GLU A 37 2.669 -5.511 9.047 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.484 -6.397 11.291 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.784 -7.599 10.224 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.739 -6.291 8.269 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.577 -5.282 9.432 1.00 0.00 H new ATOM 561 N ARG A 38 1.578 -6.464 12.024 1.00 0.00 N ATOM 562 CA ARG A 38 0.465 -7.109 12.711 1.00 0.00 C ATOM 563 C ARG A 38 -0.842 -6.889 11.955 1.00 0.00 C ATOM 564 O ARG A 38 -1.712 -7.760 11.930 1.00 0.00 O ATOM 565 CB ARG A 38 0.338 -6.572 14.138 1.00 0.00 C ATOM 566 CG ARG A 38 0.171 -5.063 14.208 1.00 0.00 C ATOM 567 CD ARG A 38 -0.622 -4.648 15.437 1.00 0.00 C ATOM 568 NE ARG A 38 -0.296 -3.290 15.865 1.00 0.00 N ATOM 569 CZ ARG A 38 -0.613 -2.799 17.058 1.00 0.00 C ATOM 570 NH1 ARG A 38 -1.260 -3.552 17.938 1.00 0.00 N ATOM 571 NH2 ARG A 38 -0.282 -1.553 17.374 1.00 0.00 N ATOM 0 H ARG A 38 2.303 -6.102 12.643 1.00 0.00 H new ATOM 0 HA ARG A 38 0.666 -8.180 12.750 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.516 -7.046 14.621 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.224 -6.858 14.705 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.152 -4.588 14.229 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.336 -4.710 13.310 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.688 -4.714 15.220 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.419 -5.343 16.251 1.00 0.00 H new ATOM 0 HE ARG A 38 0.202 -2.685 15.212 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.515 -4.510 17.699 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.502 -3.173 18.853 1.00 0.00 H new ATOM 0 HH21 ARG A 38 0.216 -0.971 16.700 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.526 -1.177 18.290 1.00 0.00 H new ATOM 585 N LYS A 39 -0.973 -5.719 11.339 1.00 0.00 N ATOM 586 CA LYS A 39 -2.173 -5.383 10.581 1.00 0.00 C ATOM 587 C LYS A 39 -2.184 -6.099 9.235 1.00 0.00 C ATOM 588 O LYS A 39 -3.159 -6.764 8.882 1.00 0.00 O ATOM 589 CB LYS A 39 -2.258 -3.870 10.367 1.00 0.00 C ATOM 590 CG LYS A 39 -0.903 -3.190 10.285 1.00 0.00 C ATOM 591 CD LYS A 39 -0.939 -1.983 9.362 1.00 0.00 C ATOM 592 CE LYS A 39 -1.439 -0.743 10.087 1.00 0.00 C ATOM 593 NZ LYS A 39 -2.918 -0.600 9.986 1.00 0.00 N ATOM 0 H LYS A 39 -0.263 -4.987 11.350 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.040 -5.712 11.155 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.811 -3.672 9.449 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.828 -3.428 11.184 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.591 -2.878 11.282 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.159 -3.901 9.926 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.059 -1.797 8.966 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.586 -2.194 8.510 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.150 -0.795 11.137 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.959 0.141 9.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.181 0.396 10.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.233 -0.909 9.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.374 -1.187 10.714 1.00 0.00 H new ATOM 607 N LEU A 40 -1.095 -5.961 8.487 1.00 0.00 N ATOM 608 CA LEU A 40 -0.979 -6.596 7.179 1.00 0.00 C ATOM 609 C LEU A 40 -1.105 -8.112 7.297 1.00 0.00 C ATOM 610 O LEU A 40 -1.712 -8.762 6.447 1.00 0.00 O ATOM 611 CB LEU A 40 0.358 -6.234 6.531 1.00 0.00 C ATOM 612 CG LEU A 40 0.743 -4.754 6.568 1.00 0.00 C ATOM 613 CD1 LEU A 40 2.119 -4.545 5.955 1.00 0.00 C ATOM 614 CD2 LEU A 40 -0.299 -3.914 5.843 1.00 0.00 C ATOM 0 H LEU A 40 -0.279 -5.415 8.764 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.791 -6.229 6.551 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.144 -6.806 7.024 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.334 -6.557 5.490 1.00 0.00 H new ATOM 0 HG LEU A 40 0.779 -4.433 7.609 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.376 -3.486 5.990 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.858 -5.117 6.516 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.111 -4.882 4.918 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.009 -2.864 5.879 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.367 -4.236 4.804 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.268 -4.040 6.326 1.00 0.00 H new ATOM 626 N ASN A 41 -0.530 -8.668 8.359 1.00 0.00 N ATOM 627 CA ASN A 41 -0.580 -10.107 8.589 1.00 0.00 C ATOM 628 C ASN A 41 -1.996 -10.552 8.943 1.00 0.00 C ATOM 629 O ASN A 41 -2.578 -11.400 8.266 1.00 0.00 O ATOM 630 CB ASN A 41 0.385 -10.499 9.709 1.00 0.00 C ATOM 631 CG ASN A 41 0.915 -11.911 9.549 1.00 0.00 C ATOM 632 OD1 ASN A 41 0.526 -12.630 8.629 1.00 0.00 O ATOM 633 ND2 ASN A 41 1.807 -12.314 10.446 1.00 0.00 N ATOM 0 H ASN A 41 -0.024 -8.144 9.073 1.00 0.00 H new ATOM 0 HA ASN A 41 -0.280 -10.608 7.669 1.00 0.00 H new ATOM 0 HB2 ASN A 41 1.221 -9.800 9.725 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -0.123 -10.411 10.669 1.00 0.00 H new ATOM 0 HD21 ASN A 41 2.199 -13.254 10.389 1.00 0.00 H new ATOM 0 HD22 ASN A 41 2.101 -11.684 11.192 1.00 0.00 H new ATOM 640 N ARG A 42 -2.543 -9.975 10.007 1.00 0.00 N ATOM 641 CA ARG A 42 -3.890 -10.312 10.452 1.00 0.00 C ATOM 642 C ARG A 42 -4.918 -9.979 9.374 1.00 0.00 C ATOM 643 O ARG A 42 -5.667 -10.847 8.927 1.00 0.00 O ATOM 644 CB ARG A 42 -4.227 -9.563 11.742 1.00 0.00 C ATOM 645 CG ARG A 42 -5.259 -10.271 12.605 1.00 0.00 C ATOM 646 CD ARG A 42 -4.622 -11.358 13.456 1.00 0.00 C ATOM 647 NE ARG A 42 -4.052 -10.825 14.690 1.00 0.00 N ATOM 648 CZ ARG A 42 -4.776 -10.515 15.760 1.00 0.00 C ATOM 649 NH1 ARG A 42 -6.091 -10.684 15.747 1.00 0.00 N ATOM 650 NH2 ARG A 42 -4.185 -10.034 16.846 1.00 0.00 N ATOM 0 H ARG A 42 -2.074 -9.271 10.578 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.924 -11.384 10.644 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.314 -9.425 12.321 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -4.597 -8.569 11.489 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.754 -9.546 13.250 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.028 -10.709 11.969 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -5.370 -12.113 13.699 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -3.841 -11.856 12.882 1.00 0.00 H new ATOM 0 HE ARG A 42 -3.043 -10.683 14.733 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -6.550 -11.053 14.914 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -6.644 -10.445 16.570 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -3.174 -9.902 16.860 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -4.742 -9.796 17.667 1.00 0.00 H new ATOM 664 N ALA A 43 -4.947 -8.715 8.963 1.00 0.00 N ATOM 665 CA ALA A 43 -5.882 -8.267 7.938 1.00 0.00 C ATOM 666 C ALA A 43 -5.924 -9.246 6.769 1.00 0.00 C ATOM 667 O ALA A 43 -6.997 -9.577 6.263 1.00 0.00 O ATOM 668 CB ALA A 43 -5.503 -6.876 7.450 1.00 0.00 C ATOM 0 H ALA A 43 -4.334 -7.984 9.324 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.877 -8.226 8.381 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.209 -6.554 6.685 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.530 -6.177 8.286 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.498 -6.899 7.029 1.00 0.00 H new ATOM 674 N PHE A 44 -4.752 -9.705 6.344 1.00 0.00 N ATOM 675 CA PHE A 44 -4.656 -10.644 5.233 1.00 0.00 C ATOM 676 C PHE A 44 -5.635 -11.801 5.413 1.00 0.00 C ATOM 677 O PHE A 44 -6.249 -12.263 4.451 1.00 0.00 O ATOM 678 CB PHE A 44 -3.228 -11.183 5.115 1.00 0.00 C ATOM 679 CG PHE A 44 -3.003 -12.020 3.889 1.00 0.00 C ATOM 680 CD1 PHE A 44 -3.238 -11.500 2.626 1.00 0.00 C ATOM 681 CD2 PHE A 44 -2.557 -13.327 3.998 1.00 0.00 C ATOM 682 CE1 PHE A 44 -3.031 -12.268 1.495 1.00 0.00 C ATOM 683 CE2 PHE A 44 -2.348 -14.100 2.871 1.00 0.00 C ATOM 684 CZ PHE A 44 -2.587 -13.570 1.618 1.00 0.00 C ATOM 0 H PHE A 44 -3.855 -9.442 6.752 1.00 0.00 H new ATOM 0 HA PHE A 44 -4.913 -10.112 4.317 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -2.531 -10.345 5.106 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -2.999 -11.778 5.999 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.587 -10.483 2.524 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.370 -13.747 4.975 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.216 -11.850 0.516 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -1.998 -15.117 2.970 1.00 0.00 H new ATOM 0 HZ PHE A 44 -2.427 -14.173 0.736 1.00 0.00 H new ATOM 694 N TRP A 45 -5.774 -12.263 6.650 1.00 0.00 N ATOM 695 CA TRP A 45 -6.677 -13.366 6.957 1.00 0.00 C ATOM 696 C TRP A 45 -8.075 -12.851 7.282 1.00 0.00 C ATOM 697 O TRP A 45 -9.063 -13.311 6.712 1.00 0.00 O ATOM 698 CB TRP A 45 -6.136 -14.185 8.130 1.00 0.00 C ATOM 699 CG TRP A 45 -4.645 -14.337 8.110 1.00 0.00 C ATOM 700 CD1 TRP A 45 -3.839 -14.375 7.008 1.00 0.00 C ATOM 701 CD2 TRP A 45 -3.782 -14.473 9.245 1.00 0.00 C ATOM 702 NE1 TRP A 45 -2.528 -14.527 7.389 1.00 0.00 N ATOM 703 CE2 TRP A 45 -2.466 -14.589 8.756 1.00 0.00 C ATOM 704 CE3 TRP A 45 -3.993 -14.506 10.626 1.00 0.00 C ATOM 705 CZ2 TRP A 45 -1.369 -14.736 9.601 1.00 0.00 C ATOM 706 CZ3 TRP A 45 -2.903 -14.653 11.463 1.00 0.00 C ATOM 707 CH2 TRP A 45 -1.605 -14.765 10.948 1.00 0.00 C ATOM 0 H TRP A 45 -5.273 -11.891 7.457 1.00 0.00 H new ATOM 0 HA TRP A 45 -6.741 -14.005 6.076 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -6.433 -13.709 9.064 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -6.595 -15.173 8.116 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -4.182 -14.297 5.987 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -1.730 -14.584 6.756 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -4.990 -14.418 11.032 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -0.367 -14.824 9.207 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -3.054 -14.682 12.532 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -0.774 -14.877 11.628 1.00 0.00 H new ATOM 718 N GLU A 46 -8.148 -11.894 8.201 1.00 0.00 N ATOM 719 CA GLU A 46 -9.427 -11.317 8.602 1.00 0.00 C ATOM 720 C GLU A 46 -10.191 -10.794 7.390 1.00 0.00 C ATOM 721 O GLU A 46 -11.416 -10.677 7.418 1.00 0.00 O ATOM 722 CB GLU A 46 -9.208 -10.185 9.608 1.00 0.00 C ATOM 723 CG GLU A 46 -9.015 -10.669 11.036 1.00 0.00 C ATOM 724 CD GLU A 46 -9.284 -9.584 12.061 1.00 0.00 C ATOM 725 OE1 GLU A 46 -10.353 -8.944 11.981 1.00 0.00 O ATOM 726 OE2 GLU A 46 -8.425 -9.376 12.943 1.00 0.00 O ATOM 0 H GLU A 46 -7.338 -11.502 8.682 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.019 -12.102 9.072 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.334 -9.607 9.308 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.063 -9.510 9.574 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.679 -11.513 11.223 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.995 -11.034 11.157 1.00 0.00 H new ATOM 733 N SER A 47 -9.459 -10.480 6.326 1.00 0.00 N ATOM 734 CA SER A 47 -10.067 -9.965 5.104 1.00 0.00 C ATOM 735 C SER A 47 -9.663 -10.809 3.899 1.00 0.00 C ATOM 736 O SER A 47 -8.666 -11.530 3.938 1.00 0.00 O ATOM 737 CB SER A 47 -9.657 -8.508 4.881 1.00 0.00 C ATOM 738 OG SER A 47 -10.477 -7.628 5.630 1.00 0.00 O ATOM 0 H SER A 47 -8.444 -10.573 6.285 1.00 0.00 H new ATOM 0 HA SER A 47 -11.150 -10.018 5.216 1.00 0.00 H new ATOM 0 HB2 SER A 47 -8.614 -8.372 5.169 1.00 0.00 H new ATOM 0 HB3 SER A 47 -9.730 -8.264 3.821 1.00 0.00 H new ATOM 0 HG SER A 47 -10.916 -6.995 5.024 1.00 0.00 H new ATOM 744 N SER A 48 -10.446 -10.713 2.829 1.00 0.00 N ATOM 745 CA SER A 48 -10.173 -11.470 1.613 1.00 0.00 C ATOM 746 C SER A 48 -8.835 -11.059 1.005 1.00 0.00 C ATOM 747 O SER A 48 -7.951 -11.892 0.803 1.00 0.00 O ATOM 748 CB SER A 48 -11.295 -11.260 0.594 1.00 0.00 C ATOM 749 OG SER A 48 -11.450 -12.398 -0.237 1.00 0.00 O ATOM 0 H SER A 48 -11.274 -10.119 2.780 1.00 0.00 H new ATOM 0 HA SER A 48 -10.123 -12.527 1.876 1.00 0.00 H new ATOM 0 HB2 SER A 48 -12.230 -11.057 1.115 1.00 0.00 H new ATOM 0 HB3 SER A 48 -11.075 -10.386 -0.019 1.00 0.00 H new ATOM 0 HG SER A 48 -12.174 -12.239 -0.878 1.00 0.00 H new ATOM 755 N ILE A 49 -8.695 -9.770 0.717 1.00 0.00 N ATOM 756 CA ILE A 49 -7.465 -9.248 0.134 1.00 0.00 C ATOM 757 C ILE A 49 -6.945 -8.053 0.926 1.00 0.00 C ATOM 758 O ILE A 49 -7.653 -7.495 1.765 1.00 0.00 O ATOM 759 CB ILE A 49 -7.672 -8.826 -1.333 1.00 0.00 C ATOM 760 CG1 ILE A 49 -8.425 -9.916 -2.098 1.00 0.00 C ATOM 761 CG2 ILE A 49 -6.333 -8.535 -1.995 1.00 0.00 C ATOM 762 CD1 ILE A 49 -8.936 -9.463 -3.448 1.00 0.00 C ATOM 0 H ILE A 49 -9.417 -9.068 0.878 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.731 -10.053 0.172 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.270 -7.915 -1.353 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.766 -10.773 -2.237 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -9.267 -10.256 -1.495 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.496 -8.238 -3.031 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.831 -7.728 -1.461 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.711 -9.430 -1.968 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -9.459 -10.286 -3.934 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -9.621 -8.626 -3.315 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -8.096 -9.150 -4.069 1.00 0.00 H new ATOM 774 N VAL A 50 -5.704 -7.664 0.653 1.00 0.00 N ATOM 775 CA VAL A 50 -5.089 -6.533 1.338 1.00 0.00 C ATOM 776 C VAL A 50 -4.386 -5.608 0.351 1.00 0.00 C ATOM 777 O VAL A 50 -3.296 -5.913 -0.133 1.00 0.00 O ATOM 778 CB VAL A 50 -4.074 -7.002 2.397 1.00 0.00 C ATOM 779 CG1 VAL A 50 -3.316 -5.816 2.974 1.00 0.00 C ATOM 780 CG2 VAL A 50 -4.775 -7.783 3.498 1.00 0.00 C ATOM 0 H VAL A 50 -5.104 -8.115 -0.038 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.893 -5.988 1.832 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.354 -7.663 1.916 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.604 -6.168 3.720 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.781 -5.303 2.175 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.020 -5.127 3.441 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.043 -8.107 4.237 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.519 -7.147 3.978 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.267 -8.656 3.068 1.00 0.00 H new ATOM 790 N TYR A 51 -5.018 -4.477 0.056 1.00 0.00 N ATOM 791 CA TYR A 51 -4.454 -3.508 -0.876 1.00 0.00 C ATOM 792 C TYR A 51 -3.447 -2.600 -0.176 1.00 0.00 C ATOM 793 O TYR A 51 -3.720 -2.063 0.898 1.00 0.00 O ATOM 794 CB TYR A 51 -5.566 -2.666 -1.504 1.00 0.00 C ATOM 795 CG TYR A 51 -6.311 -3.375 -2.612 1.00 0.00 C ATOM 796 CD1 TYR A 51 -5.626 -4.056 -3.611 1.00 0.00 C ATOM 797 CD2 TYR A 51 -7.699 -3.365 -2.660 1.00 0.00 C ATOM 798 CE1 TYR A 51 -6.302 -4.704 -4.626 1.00 0.00 C ATOM 799 CE2 TYR A 51 -8.384 -4.012 -3.670 1.00 0.00 C ATOM 800 CZ TYR A 51 -7.681 -4.680 -4.651 1.00 0.00 C ATOM 801 OH TYR A 51 -8.358 -5.326 -5.660 1.00 0.00 O ATOM 0 H TYR A 51 -5.920 -4.209 0.449 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.935 -4.058 -1.662 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -6.275 -2.378 -0.727 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -5.135 -1.746 -1.899 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -4.546 -4.079 -3.593 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -8.253 -2.842 -1.894 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -5.754 -5.227 -5.396 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -9.464 -3.995 -3.692 1.00 0.00 H new ATOM 0 HH TYR A 51 -9.323 -5.214 -5.531 1.00 0.00 H new ATOM 811 N LEU A 52 -2.282 -2.434 -0.792 1.00 0.00 N ATOM 812 CA LEU A 52 -1.233 -1.591 -0.230 1.00 0.00 C ATOM 813 C LEU A 52 -0.737 -0.580 -1.258 1.00 0.00 C ATOM 814 O LEU A 52 -0.036 -0.936 -2.206 1.00 0.00 O ATOM 815 CB LEU A 52 -0.067 -2.452 0.259 1.00 0.00 C ATOM 816 CG LEU A 52 -0.445 -3.732 1.005 1.00 0.00 C ATOM 817 CD1 LEU A 52 0.716 -4.716 1.000 1.00 0.00 C ATOM 818 CD2 LEU A 52 -0.869 -3.413 2.431 1.00 0.00 C ATOM 0 H LEU A 52 -2.040 -2.872 -1.681 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.653 -1.045 0.615 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.544 -2.724 -0.602 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.558 -1.844 0.914 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.288 -4.193 0.491 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.428 -5.621 1.535 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.974 -4.969 -0.028 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.579 -4.264 1.489 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.134 -4.336 2.947 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.046 -2.928 2.956 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.731 -2.746 2.414 1.00 0.00 H new ATOM 830 N VAL A 53 -1.103 0.683 -1.064 1.00 0.00 N ATOM 831 CA VAL A 53 -0.693 1.747 -1.973 1.00 0.00 C ATOM 832 C VAL A 53 0.698 2.262 -1.622 1.00 0.00 C ATOM 833 O VAL A 53 0.884 2.944 -0.614 1.00 0.00 O ATOM 834 CB VAL A 53 -1.687 2.923 -1.945 1.00 0.00 C ATOM 835 CG1 VAL A 53 -1.214 4.043 -2.859 1.00 0.00 C ATOM 836 CG2 VAL A 53 -3.079 2.453 -2.339 1.00 0.00 C ATOM 0 H VAL A 53 -1.683 0.995 -0.285 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.677 1.319 -2.976 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.735 3.312 -0.928 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.929 4.865 -2.827 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.238 4.397 -2.526 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.136 3.671 -3.880 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.769 3.297 -2.314 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.051 2.037 -3.346 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.416 1.688 -1.640 1.00 0.00 H new ATOM 846 N PHE A 54 1.674 1.933 -2.462 1.00 0.00 N ATOM 847 CA PHE A 54 3.050 2.363 -2.242 1.00 0.00 C ATOM 848 C PHE A 54 3.297 3.736 -2.861 1.00 0.00 C ATOM 849 O PHE A 54 2.826 4.026 -3.960 1.00 0.00 O ATOM 850 CB PHE A 54 4.026 1.342 -2.830 1.00 0.00 C ATOM 851 CG PHE A 54 3.842 -0.046 -2.287 1.00 0.00 C ATOM 852 CD1 PHE A 54 2.763 -0.821 -2.681 1.00 0.00 C ATOM 853 CD2 PHE A 54 4.747 -0.576 -1.382 1.00 0.00 C ATOM 854 CE1 PHE A 54 2.591 -2.099 -2.183 1.00 0.00 C ATOM 855 CE2 PHE A 54 4.581 -1.853 -0.881 1.00 0.00 C ATOM 856 CZ PHE A 54 3.500 -2.615 -1.281 1.00 0.00 C ATOM 0 H PHE A 54 1.537 1.370 -3.301 1.00 0.00 H new ATOM 0 HA PHE A 54 3.214 2.435 -1.167 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.906 1.319 -3.913 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.046 1.669 -2.630 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.048 -0.422 -3.385 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.593 0.016 -1.064 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.746 -2.693 -2.499 1.00 0.00 H new ATOM 0 HE2 PHE A 54 5.295 -2.255 -0.178 1.00 0.00 H new ATOM 0 HZ PHE A 54 3.366 -3.612 -0.889 1.00 0.00 H new ATOM 866 N SER A 55 4.039 4.576 -2.146 1.00 0.00 N ATOM 867 CA SER A 55 4.345 5.919 -2.622 1.00 0.00 C ATOM 868 C SER A 55 5.653 6.424 -2.019 1.00 0.00 C ATOM 869 O SER A 55 5.785 6.539 -0.800 1.00 0.00 O ATOM 870 CB SER A 55 3.206 6.879 -2.274 1.00 0.00 C ATOM 871 OG SER A 55 1.950 6.227 -2.345 1.00 0.00 O ATOM 0 H SER A 55 4.439 4.350 -1.235 1.00 0.00 H new ATOM 0 HA SER A 55 4.456 5.877 -3.705 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.356 7.278 -1.271 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.218 7.727 -2.959 1.00 0.00 H new ATOM 0 HG SER A 55 1.265 6.867 -2.630 1.00 0.00 H new ATOM 877 N VAL A 56 6.618 6.724 -2.882 1.00 0.00 N ATOM 878 CA VAL A 56 7.916 7.218 -2.436 1.00 0.00 C ATOM 879 C VAL A 56 7.792 8.602 -1.810 1.00 0.00 C ATOM 880 O VAL A 56 6.961 9.409 -2.225 1.00 0.00 O ATOM 881 CB VAL A 56 8.922 7.282 -3.601 1.00 0.00 C ATOM 882 CG1 VAL A 56 10.184 8.018 -3.177 1.00 0.00 C ATOM 883 CG2 VAL A 56 9.253 5.883 -4.097 1.00 0.00 C ATOM 0 H VAL A 56 6.526 6.634 -3.894 1.00 0.00 H new ATOM 0 HA VAL A 56 8.282 6.515 -1.687 1.00 0.00 H new ATOM 0 HB VAL A 56 8.465 7.835 -4.422 1.00 0.00 H new ATOM 0 HG11 VAL A 56 10.883 8.053 -4.013 1.00 0.00 H new ATOM 0 HG12 VAL A 56 9.929 9.034 -2.874 1.00 0.00 H new ATOM 0 HG13 VAL A 56 10.646 7.495 -2.340 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.965 5.948 -4.920 1.00 0.00 H new ATOM 0 HG22 VAL A 56 9.690 5.303 -3.284 1.00 0.00 H new ATOM 0 HG23 VAL A 56 8.342 5.395 -4.443 1.00 0.00 H new ATOM 893 N GLN A 57 8.624 8.869 -0.808 1.00 0.00 N ATOM 894 CA GLN A 57 8.606 10.156 -0.124 1.00 0.00 C ATOM 895 C GLN A 57 8.961 11.288 -1.083 1.00 0.00 C ATOM 896 O GLN A 57 9.709 11.092 -2.040 1.00 0.00 O ATOM 897 CB GLN A 57 9.583 10.145 1.054 1.00 0.00 C ATOM 898 CG GLN A 57 11.031 10.359 0.645 1.00 0.00 C ATOM 899 CD GLN A 57 11.991 10.241 1.813 1.00 0.00 C ATOM 900 OE1 GLN A 57 11.603 9.845 2.912 1.00 0.00 O ATOM 901 NE2 GLN A 57 13.252 10.586 1.580 1.00 0.00 N ATOM 0 H GLN A 57 9.318 8.212 -0.452 1.00 0.00 H new ATOM 0 HA GLN A 57 7.597 10.325 0.251 1.00 0.00 H new ATOM 0 HB2 GLN A 57 9.295 10.923 1.761 1.00 0.00 H new ATOM 0 HB3 GLN A 57 9.499 9.192 1.576 1.00 0.00 H new ATOM 0 HG2 GLN A 57 11.301 9.628 -0.117 1.00 0.00 H new ATOM 0 HG3 GLN A 57 11.135 11.345 0.192 1.00 0.00 H new ATOM 0 HE21 GLN A 57 13.529 10.909 0.653 1.00 0.00 H new ATOM 0 HE22 GLN A 57 13.943 10.528 2.328 1.00 0.00 H new ATOM 910 N GLY A 58 8.418 12.472 -0.820 1.00 0.00 N ATOM 911 CA GLY A 58 8.689 13.618 -1.669 1.00 0.00 C ATOM 912 C GLY A 58 7.931 13.559 -2.981 1.00 0.00 C ATOM 913 O GLY A 58 7.095 14.417 -3.261 1.00 0.00 O ATOM 0 H GLY A 58 7.795 12.659 -0.034 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.420 14.531 -1.138 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.758 13.671 -1.873 1.00 0.00 H new ATOM 917 N SER A 59 8.225 12.544 -3.787 1.00 0.00 N ATOM 918 CA SER A 59 7.569 12.379 -5.079 1.00 0.00 C ATOM 919 C SER A 59 6.111 12.823 -5.008 1.00 0.00 C ATOM 920 O SER A 59 5.405 12.523 -4.047 1.00 0.00 O ATOM 921 CB SER A 59 7.648 10.920 -5.533 1.00 0.00 C ATOM 922 OG SER A 59 7.276 10.789 -6.894 1.00 0.00 O ATOM 0 H SER A 59 8.913 11.824 -3.568 1.00 0.00 H new ATOM 0 HA SER A 59 8.087 13.006 -5.805 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.662 10.546 -5.392 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.994 10.307 -4.913 1.00 0.00 H new ATOM 0 HG SER A 59 7.336 9.848 -7.160 1.00 0.00 H new ATOM 928 N GLY A 60 5.667 13.541 -6.036 1.00 0.00 N ATOM 929 CA GLY A 60 4.296 14.016 -6.072 1.00 0.00 C ATOM 930 C GLY A 60 3.377 13.076 -6.826 1.00 0.00 C ATOM 931 O GLY A 60 2.328 13.487 -7.323 1.00 0.00 O ATOM 0 H GLY A 60 6.232 13.802 -6.844 1.00 0.00 H new ATOM 0 HA2 GLY A 60 3.930 14.137 -5.053 1.00 0.00 H new ATOM 0 HA3 GLY A 60 4.268 15.000 -6.540 1.00 0.00 H new ATOM 935 N HIS A 61 3.771 11.809 -6.914 1.00 0.00 N ATOM 936 CA HIS A 61 2.975 10.808 -7.615 1.00 0.00 C ATOM 937 C HIS A 61 2.912 9.508 -6.818 1.00 0.00 C ATOM 938 O HIS A 61 3.708 9.289 -5.905 1.00 0.00 O ATOM 939 CB HIS A 61 3.559 10.541 -9.002 1.00 0.00 C ATOM 940 CG HIS A 61 3.085 11.504 -10.047 1.00 0.00 C ATOM 941 ND1 HIS A 61 3.344 12.857 -9.996 1.00 0.00 N ATOM 942 CD2 HIS A 61 2.365 11.302 -11.176 1.00 0.00 C ATOM 943 CE1 HIS A 61 2.803 13.447 -11.048 1.00 0.00 C ATOM 944 NE2 HIS A 61 2.203 12.525 -11.780 1.00 0.00 N ATOM 0 H HIS A 61 4.636 11.452 -6.509 1.00 0.00 H new ATOM 0 HA HIS A 61 1.962 11.196 -7.724 1.00 0.00 H new ATOM 0 HB2 HIS A 61 4.647 10.587 -8.944 1.00 0.00 H new ATOM 0 HB3 HIS A 61 3.298 9.528 -9.308 1.00 0.00 H new ATOM 0 HD2 HIS A 61 1.988 10.356 -11.535 1.00 0.00 H new ATOM 0 HE1 HIS A 61 2.844 14.503 -11.271 1.00 0.00 H new ATOM 0 HE2 HIS A 61 1.701 12.694 -12.652 1.00 0.00 H new ATOM 952 N PHE A 62 1.961 8.650 -7.169 1.00 0.00 N ATOM 953 CA PHE A 62 1.793 7.373 -6.486 1.00 0.00 C ATOM 954 C PHE A 62 2.543 6.262 -7.216 1.00 0.00 C ATOM 955 O PHE A 62 2.177 5.880 -8.327 1.00 0.00 O ATOM 956 CB PHE A 62 0.308 7.017 -6.380 1.00 0.00 C ATOM 957 CG PHE A 62 -0.363 7.599 -5.169 1.00 0.00 C ATOM 958 CD1 PHE A 62 -0.269 6.969 -3.939 1.00 0.00 C ATOM 959 CD2 PHE A 62 -1.089 8.776 -5.261 1.00 0.00 C ATOM 960 CE1 PHE A 62 -0.885 7.502 -2.822 1.00 0.00 C ATOM 961 CE2 PHE A 62 -1.707 9.314 -4.148 1.00 0.00 C ATOM 962 CZ PHE A 62 -1.606 8.675 -2.928 1.00 0.00 C ATOM 0 H PHE A 62 1.294 8.816 -7.923 1.00 0.00 H new ATOM 0 HA PHE A 62 2.209 7.470 -5.483 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -0.206 7.368 -7.275 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.203 5.932 -6.357 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.292 6.050 -3.852 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -1.173 9.279 -6.213 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.803 7.002 -1.868 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.268 10.233 -4.232 1.00 0.00 H new ATOM 0 HZ PHE A 62 -2.090 9.092 -2.058 1.00 0.00 H new ATOM 972 N GLN A 63 3.593 5.750 -6.582 1.00 0.00 N ATOM 973 CA GLN A 63 4.395 4.685 -7.172 1.00 0.00 C ATOM 974 C GLN A 63 3.512 3.530 -7.635 1.00 0.00 C ATOM 975 O GLN A 63 3.927 2.705 -8.446 1.00 0.00 O ATOM 976 CB GLN A 63 5.429 4.179 -6.165 1.00 0.00 C ATOM 977 CG GLN A 63 6.648 5.079 -6.040 1.00 0.00 C ATOM 978 CD GLN A 63 7.346 5.303 -7.367 1.00 0.00 C ATOM 979 OE1 GLN A 63 7.525 4.372 -8.153 1.00 0.00 O ATOM 980 NE2 GLN A 63 7.746 6.543 -7.624 1.00 0.00 N ATOM 0 H GLN A 63 3.908 6.055 -5.661 1.00 0.00 H new ATOM 0 HA GLN A 63 4.912 5.093 -8.040 1.00 0.00 H new ATOM 0 HB2 GLN A 63 4.956 4.084 -5.188 1.00 0.00 H new ATOM 0 HB3 GLN A 63 5.753 3.181 -6.460 1.00 0.00 H new ATOM 0 HG2 GLN A 63 6.344 6.041 -5.627 1.00 0.00 H new ATOM 0 HG3 GLN A 63 7.351 4.636 -5.334 1.00 0.00 H new ATOM 0 HE21 GLN A 63 7.577 7.285 -6.944 1.00 0.00 H new ATOM 0 HE22 GLN A 63 8.222 6.754 -8.501 1.00 0.00 H new ATOM 989 N GLY A 64 2.290 3.480 -7.112 1.00 0.00 N ATOM 990 CA GLY A 64 1.368 2.423 -7.482 1.00 0.00 C ATOM 991 C GLY A 64 0.757 1.737 -6.276 1.00 0.00 C ATOM 992 O GLY A 64 0.739 2.295 -5.179 1.00 0.00 O ATOM 0 H GLY A 64 1.923 4.153 -6.439 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.573 2.839 -8.101 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.892 1.685 -8.089 1.00 0.00 H new ATOM 996 N PHE A 65 0.254 0.524 -6.480 1.00 0.00 N ATOM 997 CA PHE A 65 -0.363 -0.238 -5.400 1.00 0.00 C ATOM 998 C PHE A 65 -0.314 -1.735 -5.694 1.00 0.00 C ATOM 999 O PHE A 65 -0.281 -2.151 -6.852 1.00 0.00 O ATOM 1000 CB PHE A 65 -1.814 0.206 -5.199 1.00 0.00 C ATOM 1001 CG PHE A 65 -2.782 -0.469 -6.128 1.00 0.00 C ATOM 1002 CD1 PHE A 65 -3.062 0.074 -7.372 1.00 0.00 C ATOM 1003 CD2 PHE A 65 -3.411 -1.647 -5.758 1.00 0.00 C ATOM 1004 CE1 PHE A 65 -3.953 -0.544 -8.228 1.00 0.00 C ATOM 1005 CE2 PHE A 65 -4.303 -2.270 -6.611 1.00 0.00 C ATOM 1006 CZ PHE A 65 -4.573 -1.718 -7.848 1.00 0.00 C ATOM 0 H PHE A 65 0.261 0.048 -7.382 1.00 0.00 H new ATOM 0 HA PHE A 65 0.199 -0.046 -4.486 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.109 0.002 -4.170 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.878 1.285 -5.341 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -2.578 0.991 -7.676 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -3.202 -2.083 -4.792 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.165 -0.109 -9.194 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -4.788 -3.187 -6.311 1.00 0.00 H new ATOM 0 HZ PHE A 65 -5.268 -2.204 -8.517 1.00 0.00 H new ATOM 1016 N SER A 66 -0.308 -2.539 -4.636 1.00 0.00 N ATOM 1017 CA SER A 66 -0.258 -3.990 -4.779 1.00 0.00 C ATOM 1018 C SER A 66 -1.101 -4.671 -3.705 1.00 0.00 C ATOM 1019 O SER A 66 -1.266 -4.146 -2.604 1.00 0.00 O ATOM 1020 CB SER A 66 1.188 -4.482 -4.696 1.00 0.00 C ATOM 1021 OG SER A 66 1.556 -4.762 -3.356 1.00 0.00 O ATOM 0 H SER A 66 -0.337 -2.211 -3.671 1.00 0.00 H new ATOM 0 HA SER A 66 -0.667 -4.249 -5.756 1.00 0.00 H new ATOM 0 HB2 SER A 66 1.305 -5.379 -5.304 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.857 -3.727 -5.110 1.00 0.00 H new ATOM 0 HG SER A 66 2.168 -4.068 -3.033 1.00 0.00 H new ATOM 1027 N ARG A 67 -1.633 -5.844 -4.035 1.00 0.00 N ATOM 1028 CA ARG A 67 -2.461 -6.597 -3.100 1.00 0.00 C ATOM 1029 C ARG A 67 -1.680 -7.763 -2.501 1.00 0.00 C ATOM 1030 O ARG A 67 -1.165 -8.615 -3.224 1.00 0.00 O ATOM 1031 CB ARG A 67 -3.716 -7.118 -3.803 1.00 0.00 C ATOM 1032 CG ARG A 67 -3.424 -8.127 -4.901 1.00 0.00 C ATOM 1033 CD ARG A 67 -4.702 -8.594 -5.582 1.00 0.00 C ATOM 1034 NE ARG A 67 -5.188 -7.623 -6.558 1.00 0.00 N ATOM 1035 CZ ARG A 67 -6.309 -7.778 -7.254 1.00 0.00 C ATOM 1036 NH1 ARG A 67 -7.056 -8.859 -7.081 1.00 0.00 N ATOM 1037 NH2 ARG A 67 -6.685 -6.849 -8.124 1.00 0.00 N ATOM 0 H ARG A 67 -1.505 -6.293 -4.942 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.757 -5.926 -2.293 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.372 -7.578 -3.064 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.259 -6.275 -4.231 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -2.759 -7.680 -5.640 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -2.901 -8.985 -4.479 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -4.521 -9.547 -6.078 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -5.471 -8.768 -4.829 1.00 0.00 H new ATOM 0 HE ARG A 67 -4.637 -6.779 -6.714 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -6.771 -9.574 -6.412 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -7.916 -8.976 -7.617 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -6.113 -6.015 -8.259 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -7.546 -6.969 -8.658 1.00 0.00 H new ATOM 1051 N MET A 68 -1.596 -7.792 -1.175 1.00 0.00 N ATOM 1052 CA MET A 68 -0.879 -8.853 -0.478 1.00 0.00 C ATOM 1053 C MET A 68 -1.308 -10.225 -0.988 1.00 0.00 C ATOM 1054 O MET A 68 -2.500 -10.503 -1.122 1.00 0.00 O ATOM 1055 CB MET A 68 -1.121 -8.758 1.030 1.00 0.00 C ATOM 1056 CG MET A 68 0.047 -9.253 1.866 1.00 0.00 C ATOM 1057 SD MET A 68 0.163 -8.419 3.461 1.00 0.00 S ATOM 1058 CE MET A 68 0.545 -9.799 4.537 1.00 0.00 C ATOM 0 H MET A 68 -2.016 -7.093 -0.562 1.00 0.00 H new ATOM 0 HA MET A 68 0.186 -8.728 -0.676 1.00 0.00 H new ATOM 0 HB2 MET A 68 -1.330 -7.721 1.291 1.00 0.00 H new ATOM 0 HB3 MET A 68 -2.010 -9.336 1.284 1.00 0.00 H new ATOM 0 HG2 MET A 68 -0.056 -10.326 2.028 1.00 0.00 H new ATOM 0 HG3 MET A 68 0.974 -9.102 1.313 1.00 0.00 H new ATOM 0 HE1 MET A 68 0.630 -9.446 5.565 1.00 0.00 H new ATOM 0 HE2 MET A 68 -0.250 -10.541 4.473 1.00 0.00 H new ATOM 0 HE3 MET A 68 1.488 -10.250 4.229 1.00 0.00 H new ATOM 1068 N SER A 69 -0.330 -11.080 -1.271 1.00 0.00 N ATOM 1069 CA SER A 69 -0.607 -12.421 -1.771 1.00 0.00 C ATOM 1070 C SER A 69 -0.180 -13.478 -0.756 1.00 0.00 C ATOM 1071 O SER A 69 -0.735 -14.576 -0.716 1.00 0.00 O ATOM 1072 CB SER A 69 0.114 -12.653 -3.100 1.00 0.00 C ATOM 1073 OG SER A 69 -0.101 -13.971 -3.574 1.00 0.00 O ATOM 0 H SER A 69 0.662 -10.867 -1.162 1.00 0.00 H new ATOM 0 HA SER A 69 -1.682 -12.508 -1.930 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.240 -11.935 -3.840 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.182 -12.479 -2.973 1.00 0.00 H new ATOM 0 HG SER A 69 0.369 -14.093 -4.425 1.00 0.00 H new ATOM 1079 N SER A 70 0.810 -13.136 0.063 1.00 0.00 N ATOM 1080 CA SER A 70 1.315 -14.056 1.076 1.00 0.00 C ATOM 1081 C SER A 70 1.384 -13.377 2.440 1.00 0.00 C ATOM 1082 O SER A 70 1.410 -12.150 2.533 1.00 0.00 O ATOM 1083 CB SER A 70 2.700 -14.572 0.680 1.00 0.00 C ATOM 1084 OG SER A 70 3.042 -15.732 1.419 1.00 0.00 O ATOM 0 H SER A 70 1.278 -12.230 0.045 1.00 0.00 H new ATOM 0 HA SER A 70 0.626 -14.898 1.143 1.00 0.00 H new ATOM 0 HB2 SER A 70 2.716 -14.798 -0.386 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.444 -13.795 0.852 1.00 0.00 H new ATOM 0 HG SER A 70 3.930 -16.043 1.147 1.00 0.00 H new ATOM 1090 N GLU A 71 1.413 -14.184 3.495 1.00 0.00 N ATOM 1091 CA GLU A 71 1.477 -13.661 4.855 1.00 0.00 C ATOM 1092 C GLU A 71 2.908 -13.283 5.225 1.00 0.00 C ATOM 1093 O GLU A 71 3.857 -13.650 4.532 1.00 0.00 O ATOM 1094 CB GLU A 71 0.938 -14.693 5.848 1.00 0.00 C ATOM 1095 CG GLU A 71 1.733 -15.988 5.872 1.00 0.00 C ATOM 1096 CD GLU A 71 0.904 -17.173 6.328 1.00 0.00 C ATOM 1097 OE1 GLU A 71 0.401 -17.142 7.470 1.00 0.00 O ATOM 1098 OE2 GLU A 71 0.757 -18.132 5.541 1.00 0.00 O ATOM 0 H GLU A 71 1.393 -15.202 3.435 1.00 0.00 H new ATOM 0 HA GLU A 71 0.858 -12.765 4.902 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.938 -14.258 6.847 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.099 -14.918 5.599 1.00 0.00 H new ATOM 0 HG2 GLU A 71 2.127 -16.187 4.875 1.00 0.00 H new ATOM 0 HG3 GLU A 71 2.590 -15.872 6.536 1.00 0.00 H new ATOM 1105 N ILE A 72 3.055 -12.546 6.321 1.00 0.00 N ATOM 1106 CA ILE A 72 4.369 -12.118 6.783 1.00 0.00 C ATOM 1107 C ILE A 72 4.998 -13.164 7.698 1.00 0.00 C ATOM 1108 O ILE A 72 4.345 -13.687 8.600 1.00 0.00 O ATOM 1109 CB ILE A 72 4.292 -10.775 7.534 1.00 0.00 C ATOM 1110 CG1 ILE A 72 3.467 -9.765 6.734 1.00 0.00 C ATOM 1111 CG2 ILE A 72 5.689 -10.235 7.799 1.00 0.00 C ATOM 1112 CD1 ILE A 72 3.030 -8.565 7.544 1.00 0.00 C ATOM 0 H ILE A 72 2.280 -12.233 6.905 1.00 0.00 H new ATOM 0 HA ILE A 72 4.990 -11.994 5.896 1.00 0.00 H new ATOM 0 HB ILE A 72 3.800 -10.939 8.493 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.054 -9.423 5.881 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.584 -10.264 6.334 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.618 -9.286 8.330 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.246 -10.949 8.405 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.206 -10.082 6.852 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.450 -7.892 6.913 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.416 -8.896 8.382 1.00 0.00 H new ATOM 0 HD13 ILE A 72 3.908 -8.042 7.922 1.00 0.00 H new ATOM 1124 N GLY A 73 6.271 -13.462 7.459 1.00 0.00 N ATOM 1125 CA GLY A 73 6.968 -14.443 8.271 1.00 0.00 C ATOM 1126 C GLY A 73 8.007 -15.215 7.482 1.00 0.00 C ATOM 1127 O GLY A 73 9.020 -14.656 7.062 1.00 0.00 O ATOM 0 H GLY A 73 6.832 -13.042 6.718 1.00 0.00 H new ATOM 0 HA2 GLY A 73 7.452 -13.940 9.108 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.245 -15.141 8.693 1.00 0.00 H new ATOM 1131 N ARG A 74 7.756 -16.505 7.281 1.00 0.00 N ATOM 1132 CA ARG A 74 8.679 -17.356 6.541 1.00 0.00 C ATOM 1133 C ARG A 74 9.337 -16.582 5.402 1.00 0.00 C ATOM 1134 O ARG A 74 10.552 -16.650 5.213 1.00 0.00 O ATOM 1135 CB ARG A 74 7.946 -18.578 5.984 1.00 0.00 C ATOM 1136 CG ARG A 74 8.872 -19.712 5.577 1.00 0.00 C ATOM 1137 CD ARG A 74 9.319 -20.526 6.782 1.00 0.00 C ATOM 1138 NE ARG A 74 10.643 -21.110 6.586 1.00 0.00 N ATOM 1139 CZ ARG A 74 11.243 -21.887 7.482 1.00 0.00 C ATOM 1140 NH1 ARG A 74 10.639 -22.171 8.628 1.00 0.00 N ATOM 1141 NH2 ARG A 74 12.448 -22.382 7.231 1.00 0.00 N ATOM 0 H ARG A 74 6.921 -16.983 7.620 1.00 0.00 H new ATOM 0 HA ARG A 74 9.456 -17.690 7.228 1.00 0.00 H new ATOM 0 HB2 ARG A 74 7.246 -18.944 6.735 1.00 0.00 H new ATOM 0 HB3 ARG A 74 7.356 -18.274 5.119 1.00 0.00 H new ATOM 0 HG2 ARG A 74 8.362 -20.362 4.866 1.00 0.00 H new ATOM 0 HG3 ARG A 74 9.745 -19.305 5.067 1.00 0.00 H new ATOM 0 HD2 ARG A 74 9.331 -19.889 7.666 1.00 0.00 H new ATOM 0 HD3 ARG A 74 8.597 -21.320 6.971 1.00 0.00 H new ATOM 0 HE ARG A 74 11.134 -20.911 5.714 1.00 0.00 H new ATOM 0 HH11 ARG A 74 9.712 -21.793 8.823 1.00 0.00 H new ATOM 0 HH12 ARG A 74 11.101 -22.768 9.314 1.00 0.00 H new ATOM 0 HH21 ARG A 74 12.915 -22.166 6.350 1.00 0.00 H new ATOM 0 HH22 ARG A 74 12.908 -22.978 7.919 1.00 0.00 H new ATOM 1155 N GLU A 75 8.527 -15.849 4.645 1.00 0.00 N ATOM 1156 CA GLU A 75 9.031 -15.064 3.525 1.00 0.00 C ATOM 1157 C GLU A 75 10.121 -14.100 3.983 1.00 0.00 C ATOM 1158 O GLU A 75 9.890 -13.241 4.834 1.00 0.00 O ATOM 1159 CB GLU A 75 7.891 -14.285 2.865 1.00 0.00 C ATOM 1160 CG GLU A 75 7.202 -15.047 1.745 1.00 0.00 C ATOM 1161 CD GLU A 75 8.178 -15.574 0.712 1.00 0.00 C ATOM 1162 OE1 GLU A 75 9.023 -14.787 0.237 1.00 0.00 O ATOM 1163 OE2 GLU A 75 8.097 -16.775 0.378 1.00 0.00 O ATOM 0 H GLU A 75 7.519 -15.783 4.787 1.00 0.00 H new ATOM 0 HA GLU A 75 9.461 -15.752 2.797 1.00 0.00 H new ATOM 0 HB2 GLU A 75 7.153 -14.025 3.624 1.00 0.00 H new ATOM 0 HB3 GLU A 75 8.284 -13.349 2.468 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.642 -15.881 2.169 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.480 -14.393 1.257 1.00 0.00 H new ATOM 1170 N LYS A 76 11.312 -14.249 3.412 1.00 0.00 N ATOM 1171 CA LYS A 76 12.440 -13.392 3.759 1.00 0.00 C ATOM 1172 C LYS A 76 13.364 -13.198 2.561 1.00 0.00 C ATOM 1173 O LYS A 76 13.430 -14.047 1.672 1.00 0.00 O ATOM 1174 CB LYS A 76 13.222 -13.994 4.928 1.00 0.00 C ATOM 1175 CG LYS A 76 12.376 -14.236 6.166 1.00 0.00 C ATOM 1176 CD LYS A 76 11.974 -12.931 6.831 1.00 0.00 C ATOM 1177 CE LYS A 76 12.982 -12.511 7.890 1.00 0.00 C ATOM 1178 NZ LYS A 76 12.610 -13.016 9.240 1.00 0.00 N ATOM 0 H LYS A 76 11.521 -14.956 2.707 1.00 0.00 H new ATOM 0 HA LYS A 76 12.048 -12.419 4.054 1.00 0.00 H new ATOM 0 HB2 LYS A 76 13.664 -14.938 4.610 1.00 0.00 H new ATOM 0 HB3 LYS A 76 14.045 -13.327 5.185 1.00 0.00 H new ATOM 0 HG2 LYS A 76 11.482 -14.797 5.893 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.933 -14.850 6.874 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.889 -12.148 6.077 1.00 0.00 H new ATOM 0 HD3 LYS A 76 10.990 -13.042 7.287 1.00 0.00 H new ATOM 0 HE2 LYS A 76 13.969 -12.887 7.621 1.00 0.00 H new ATOM 0 HE3 LYS A 76 13.051 -11.423 7.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 13.321 -12.709 9.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 11.679 -12.637 9.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 12.569 -14.055 9.223 1.00 0.00 H new ATOM 1192 N SER A 77 14.078 -12.077 2.546 1.00 0.00 N ATOM 1193 CA SER A 77 14.997 -11.771 1.456 1.00 0.00 C ATOM 1194 C SER A 77 16.284 -11.150 1.989 1.00 0.00 C ATOM 1195 O SER A 77 16.467 -11.019 3.199 1.00 0.00 O ATOM 1196 CB SER A 77 14.336 -10.822 0.454 1.00 0.00 C ATOM 1197 OG SER A 77 14.891 -10.980 -0.840 1.00 0.00 O ATOM 0 H SER A 77 14.038 -11.366 3.276 1.00 0.00 H new ATOM 0 HA SER A 77 15.246 -12.704 0.951 1.00 0.00 H new ATOM 0 HB2 SER A 77 13.264 -11.014 0.419 1.00 0.00 H new ATOM 0 HB3 SER A 77 14.465 -9.791 0.785 1.00 0.00 H new ATOM 0 HG SER A 77 14.451 -10.364 -1.462 1.00 0.00 H new ATOM 1203 N GLN A 78 17.173 -10.769 1.077 1.00 0.00 N ATOM 1204 CA GLN A 78 18.443 -10.162 1.455 1.00 0.00 C ATOM 1205 C GLN A 78 18.534 -8.727 0.946 1.00 0.00 C ATOM 1206 O GLN A 78 18.664 -7.787 1.729 1.00 0.00 O ATOM 1207 CB GLN A 78 19.610 -10.985 0.906 1.00 0.00 C ATOM 1208 CG GLN A 78 20.880 -10.866 1.732 1.00 0.00 C ATOM 1209 CD GLN A 78 22.079 -11.498 1.053 1.00 0.00 C ATOM 1210 OE1 GLN A 78 22.534 -11.028 0.009 1.00 0.00 O ATOM 1211 NE2 GLN A 78 22.599 -12.568 1.642 1.00 0.00 N ATOM 0 H GLN A 78 17.037 -10.870 0.071 1.00 0.00 H new ATOM 0 HA GLN A 78 18.499 -10.146 2.543 1.00 0.00 H new ATOM 0 HB2 GLN A 78 19.314 -12.033 0.859 1.00 0.00 H new ATOM 0 HB3 GLN A 78 19.820 -10.667 -0.115 1.00 0.00 H new ATOM 0 HG2 GLN A 78 21.088 -9.813 1.922 1.00 0.00 H new ATOM 0 HG3 GLN A 78 20.724 -11.340 2.701 1.00 0.00 H new ATOM 0 HE21 GLN A 78 22.190 -12.924 2.506 1.00 0.00 H new ATOM 0 HE22 GLN A 78 23.407 -13.034 1.230 1.00 0.00 H new ATOM 1220 N ASP A 79 18.466 -8.567 -0.371 1.00 0.00 N ATOM 1221 CA ASP A 79 18.540 -7.247 -0.986 1.00 0.00 C ATOM 1222 C ASP A 79 17.576 -6.277 -0.309 1.00 0.00 C ATOM 1223 O ASP A 79 16.363 -6.482 -0.324 1.00 0.00 O ATOM 1224 CB ASP A 79 18.225 -7.338 -2.480 1.00 0.00 C ATOM 1225 CG ASP A 79 19.248 -8.161 -3.238 1.00 0.00 C ATOM 1226 OD1 ASP A 79 19.364 -9.372 -2.955 1.00 0.00 O ATOM 1227 OD2 ASP A 79 19.933 -7.594 -4.115 1.00 0.00 O ATOM 0 H ASP A 79 18.360 -9.335 -1.033 1.00 0.00 H new ATOM 0 HA ASP A 79 19.555 -6.871 -0.859 1.00 0.00 H new ATOM 0 HB2 ASP A 79 17.237 -7.779 -2.614 1.00 0.00 H new ATOM 0 HB3 ASP A 79 18.186 -6.334 -2.902 1.00 0.00 H new ATOM 1232 N TRP A 80 18.126 -5.224 0.285 1.00 0.00 N ATOM 1233 CA TRP A 80 17.314 -4.223 0.969 1.00 0.00 C ATOM 1234 C TRP A 80 18.146 -2.993 1.316 1.00 0.00 C ATOM 1235 O TRP A 80 19.336 -3.099 1.610 1.00 0.00 O ATOM 1236 CB TRP A 80 16.701 -4.815 2.239 1.00 0.00 C ATOM 1237 CG TRP A 80 15.470 -5.630 1.980 1.00 0.00 C ATOM 1238 CD1 TRP A 80 15.219 -6.898 2.420 1.00 0.00 C ATOM 1239 CD2 TRP A 80 14.324 -5.234 1.219 1.00 0.00 C ATOM 1240 NE1 TRP A 80 13.986 -7.314 1.979 1.00 0.00 N ATOM 1241 CE2 TRP A 80 13.416 -6.311 1.241 1.00 0.00 C ATOM 1242 CE3 TRP A 80 13.975 -4.073 0.523 1.00 0.00 C ATOM 1243 CZ2 TRP A 80 12.185 -6.259 0.592 1.00 0.00 C ATOM 1244 CZ3 TRP A 80 12.753 -4.024 -0.120 1.00 0.00 C ATOM 1245 CH2 TRP A 80 11.870 -5.111 -0.081 1.00 0.00 C ATOM 0 H TRP A 80 19.129 -5.041 0.307 1.00 0.00 H new ATOM 0 HA TRP A 80 16.513 -3.918 0.296 1.00 0.00 H new ATOM 0 HB2 TRP A 80 17.444 -5.439 2.735 1.00 0.00 H new ATOM 0 HB3 TRP A 80 16.454 -4.006 2.926 1.00 0.00 H new ATOM 0 HD1 TRP A 80 15.891 -7.488 3.026 1.00 0.00 H new ATOM 0 HE1 TRP A 80 13.564 -8.223 2.170 1.00 0.00 H new ATOM 0 HE3 TRP A 80 14.648 -3.229 0.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 11.503 -7.096 0.619 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 12.474 -3.133 -0.662 1.00 0.00 H new ATOM 0 HH2 TRP A 80 10.922 -5.041 -0.593 1.00 0.00 H new ATOM 1256 N GLY A 81 17.511 -1.825 1.282 1.00 0.00 N ATOM 1257 CA GLY A 81 18.208 -0.592 1.596 1.00 0.00 C ATOM 1258 C GLY A 81 18.388 -0.391 3.087 1.00 0.00 C ATOM 1259 O GLY A 81 19.359 0.227 3.525 1.00 0.00 O ATOM 0 H GLY A 81 16.526 -1.711 1.042 1.00 0.00 H new ATOM 0 HA2 GLY A 81 19.185 -0.598 1.113 1.00 0.00 H new ATOM 0 HA3 GLY A 81 17.653 0.251 1.183 1.00 0.00 H new ATOM 1263 N SER A 82 17.450 -0.913 3.870 1.00 0.00 N ATOM 1264 CA SER A 82 17.506 -0.784 5.322 1.00 0.00 C ATOM 1265 C SER A 82 17.610 -2.153 5.986 1.00 0.00 C ATOM 1266 O SER A 82 16.679 -2.955 5.928 1.00 0.00 O ATOM 1267 CB SER A 82 16.269 -0.046 5.838 1.00 0.00 C ATOM 1268 OG SER A 82 15.116 -0.865 5.753 1.00 0.00 O ATOM 0 H SER A 82 16.642 -1.430 3.524 1.00 0.00 H new ATOM 0 HA SER A 82 18.396 -0.208 5.577 1.00 0.00 H new ATOM 0 HB2 SER A 82 16.428 0.258 6.873 1.00 0.00 H new ATOM 0 HB3 SER A 82 16.116 0.864 5.258 1.00 0.00 H new ATOM 0 HG SER A 82 15.379 -1.776 5.505 1.00 0.00 H new ATOM 1274 N ALA A 83 18.751 -2.413 6.617 1.00 0.00 N ATOM 1275 CA ALA A 83 18.977 -3.684 7.294 1.00 0.00 C ATOM 1276 C ALA A 83 17.995 -3.875 8.445 1.00 0.00 C ATOM 1277 O ALA A 83 17.653 -5.001 8.802 1.00 0.00 O ATOM 1278 CB ALA A 83 20.410 -3.764 7.800 1.00 0.00 C ATOM 0 H ALA A 83 19.533 -1.760 6.673 1.00 0.00 H new ATOM 0 HA ALA A 83 18.812 -4.486 6.574 1.00 0.00 H new ATOM 0 HB1 ALA A 83 20.565 -4.718 8.304 1.00 0.00 H new ATOM 0 HB2 ALA A 83 21.098 -3.681 6.959 1.00 0.00 H new ATOM 0 HB3 ALA A 83 20.594 -2.950 8.501 1.00 0.00 H new ATOM 1284 N GLY A 84 17.546 -2.765 9.024 1.00 0.00 N ATOM 1285 CA GLY A 84 16.609 -2.833 10.130 1.00 0.00 C ATOM 1286 C GLY A 84 15.208 -3.199 9.681 1.00 0.00 C ATOM 1287 O GLY A 84 14.287 -2.386 9.769 1.00 0.00 O ATOM 0 H GLY A 84 17.814 -1.821 8.747 1.00 0.00 H new ATOM 0 HA2 GLY A 84 16.959 -3.569 10.854 1.00 0.00 H new ATOM 0 HA3 GLY A 84 16.584 -1.870 10.641 1.00 0.00 H new ATOM 1291 N LEU A 85 15.046 -4.426 9.197 1.00 0.00 N ATOM 1292 CA LEU A 85 13.747 -4.898 8.731 1.00 0.00 C ATOM 1293 C LEU A 85 13.351 -6.190 9.439 1.00 0.00 C ATOM 1294 O LEU A 85 14.135 -6.760 10.196 1.00 0.00 O ATOM 1295 CB LEU A 85 13.776 -5.121 7.218 1.00 0.00 C ATOM 1296 CG LEU A 85 13.828 -3.860 6.354 1.00 0.00 C ATOM 1297 CD1 LEU A 85 14.337 -4.189 4.960 1.00 0.00 C ATOM 1298 CD2 LEU A 85 12.456 -3.206 6.283 1.00 0.00 C ATOM 0 H LEU A 85 15.797 -5.111 9.117 1.00 0.00 H new ATOM 0 HA LEU A 85 13.005 -4.135 8.966 1.00 0.00 H new ATOM 0 HB2 LEU A 85 14.643 -5.737 6.978 1.00 0.00 H new ATOM 0 HB3 LEU A 85 12.891 -5.693 6.938 1.00 0.00 H new ATOM 0 HG LEU A 85 14.521 -3.155 6.814 1.00 0.00 H new ATOM 0 HD11 LEU A 85 14.367 -3.280 4.360 1.00 0.00 H new ATOM 0 HD12 LEU A 85 15.339 -4.612 5.029 1.00 0.00 H new ATOM 0 HD13 LEU A 85 13.670 -4.912 4.490 1.00 0.00 H new ATOM 0 HD21 LEU A 85 12.511 -2.310 5.664 1.00 0.00 H new ATOM 0 HD22 LEU A 85 11.742 -3.905 5.847 1.00 0.00 H new ATOM 0 HD23 LEU A 85 12.130 -2.934 7.287 1.00 0.00 H new ATOM 1310 N GLY A 86 12.128 -6.647 9.186 1.00 0.00 N ATOM 1311 CA GLY A 86 11.650 -7.870 9.805 1.00 0.00 C ATOM 1312 C GLY A 86 11.092 -8.851 8.795 1.00 0.00 C ATOM 1313 O GLY A 86 11.563 -8.921 7.660 1.00 0.00 O ATOM 0 H GLY A 86 11.460 -6.192 8.564 1.00 0.00 H new ATOM 0 HA2 GLY A 86 12.468 -8.341 10.351 1.00 0.00 H new ATOM 0 HA3 GLY A 86 10.878 -7.626 10.535 1.00 0.00 H new ATOM 1317 N GLY A 87 10.084 -9.614 9.207 1.00 0.00 N ATOM 1318 CA GLY A 87 9.478 -10.588 8.318 1.00 0.00 C ATOM 1319 C GLY A 87 9.012 -9.972 7.014 1.00 0.00 C ATOM 1320 O GLY A 87 8.325 -8.950 7.013 1.00 0.00 O ATOM 0 H GLY A 87 9.676 -9.575 10.141 1.00 0.00 H new ATOM 0 HA2 GLY A 87 10.198 -11.379 8.106 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.630 -11.055 8.819 1.00 0.00 H new ATOM 1324 N VAL A 88 9.387 -10.592 5.900 1.00 0.00 N ATOM 1325 CA VAL A 88 9.004 -10.098 4.583 1.00 0.00 C ATOM 1326 C VAL A 88 7.792 -10.851 4.046 1.00 0.00 C ATOM 1327 O VAL A 88 7.556 -12.005 4.403 1.00 0.00 O ATOM 1328 CB VAL A 88 10.162 -10.226 3.576 1.00 0.00 C ATOM 1329 CG1 VAL A 88 9.706 -9.820 2.183 1.00 0.00 C ATOM 1330 CG2 VAL A 88 11.350 -9.388 4.023 1.00 0.00 C ATOM 0 H VAL A 88 9.956 -11.438 5.883 1.00 0.00 H new ATOM 0 HA VAL A 88 8.751 -9.044 4.701 1.00 0.00 H new ATOM 0 HB VAL A 88 10.475 -11.269 3.539 1.00 0.00 H new ATOM 0 HG11 VAL A 88 10.538 -9.917 1.485 1.00 0.00 H new ATOM 0 HG12 VAL A 88 8.888 -10.467 1.865 1.00 0.00 H new ATOM 0 HG13 VAL A 88 9.365 -8.785 2.199 1.00 0.00 H new ATOM 0 HG21 VAL A 88 12.160 -9.490 3.300 1.00 0.00 H new ATOM 0 HG22 VAL A 88 11.053 -8.341 4.090 1.00 0.00 H new ATOM 0 HG23 VAL A 88 11.690 -9.731 5.000 1.00 0.00 H new ATOM 1340 N PHE A 89 7.026 -10.190 3.184 1.00 0.00 N ATOM 1341 CA PHE A 89 5.837 -10.796 2.596 1.00 0.00 C ATOM 1342 C PHE A 89 5.755 -10.495 1.103 1.00 0.00 C ATOM 1343 O PHE A 89 6.270 -9.480 0.632 1.00 0.00 O ATOM 1344 CB PHE A 89 4.578 -10.286 3.301 1.00 0.00 C ATOM 1345 CG PHE A 89 4.378 -8.803 3.173 1.00 0.00 C ATOM 1346 CD1 PHE A 89 5.053 -7.926 4.006 1.00 0.00 C ATOM 1347 CD2 PHE A 89 3.516 -8.287 2.219 1.00 0.00 C ATOM 1348 CE1 PHE A 89 4.870 -6.561 3.891 1.00 0.00 C ATOM 1349 CE2 PHE A 89 3.329 -6.922 2.099 1.00 0.00 C ATOM 1350 CZ PHE A 89 4.008 -6.058 2.936 1.00 0.00 C ATOM 0 H PHE A 89 7.208 -9.234 2.877 1.00 0.00 H new ATOM 0 HA PHE A 89 5.907 -11.876 2.727 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.708 -10.799 2.890 1.00 0.00 H new ATOM 0 HB3 PHE A 89 4.632 -10.547 4.358 1.00 0.00 H new ATOM 0 HD1 PHE A 89 5.730 -8.313 4.753 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.984 -8.958 1.561 1.00 0.00 H new ATOM 0 HE1 PHE A 89 5.401 -5.888 4.548 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.653 -6.532 1.352 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.865 -4.991 2.844 1.00 0.00 H new ATOM 1360 N LYS A 90 5.105 -11.385 0.361 1.00 0.00 N ATOM 1361 CA LYS A 90 4.953 -11.217 -1.080 1.00 0.00 C ATOM 1362 C LYS A 90 3.846 -10.216 -1.397 1.00 0.00 C ATOM 1363 O LYS A 90 3.045 -9.866 -0.531 1.00 0.00 O ATOM 1364 CB LYS A 90 4.645 -12.562 -1.741 1.00 0.00 C ATOM 1365 CG LYS A 90 5.884 -13.325 -2.176 1.00 0.00 C ATOM 1366 CD LYS A 90 5.561 -14.772 -2.506 1.00 0.00 C ATOM 1367 CE LYS A 90 5.598 -15.649 -1.263 1.00 0.00 C ATOM 1368 NZ LYS A 90 4.823 -16.907 -1.448 1.00 0.00 N ATOM 0 H LYS A 90 4.674 -12.231 0.734 1.00 0.00 H new ATOM 0 HA LYS A 90 5.892 -10.831 -1.477 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.076 -13.177 -1.044 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.009 -12.393 -2.610 1.00 0.00 H new ATOM 0 HG2 LYS A 90 6.323 -12.841 -3.049 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.631 -13.290 -1.383 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.574 -14.830 -2.964 1.00 0.00 H new ATOM 0 HD3 LYS A 90 6.275 -15.147 -3.239 1.00 0.00 H new ATOM 0 HE2 LYS A 90 6.633 -15.892 -1.021 1.00 0.00 H new ATOM 0 HE3 LYS A 90 5.194 -15.095 -0.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.873 -17.476 -0.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.830 -16.676 -1.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.224 -17.448 -2.240 1.00 0.00 H new ATOM 1382 N VAL A 91 3.807 -9.761 -2.645 1.00 0.00 N ATOM 1383 CA VAL A 91 2.797 -8.802 -3.078 1.00 0.00 C ATOM 1384 C VAL A 91 2.409 -9.032 -4.534 1.00 0.00 C ATOM 1385 O VAL A 91 3.257 -9.342 -5.370 1.00 0.00 O ATOM 1386 CB VAL A 91 3.291 -7.353 -2.912 1.00 0.00 C ATOM 1387 CG1 VAL A 91 3.169 -6.909 -1.462 1.00 0.00 C ATOM 1388 CG2 VAL A 91 4.725 -7.220 -3.400 1.00 0.00 C ATOM 0 H VAL A 91 4.463 -10.041 -3.374 1.00 0.00 H new ATOM 0 HA VAL A 91 1.923 -8.955 -2.444 1.00 0.00 H new ATOM 0 HB VAL A 91 2.663 -6.702 -3.520 1.00 0.00 H new ATOM 0 HG11 VAL A 91 3.523 -5.883 -1.365 1.00 0.00 H new ATOM 0 HG12 VAL A 91 2.126 -6.964 -1.151 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.771 -7.562 -0.830 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.058 -6.190 -3.275 1.00 0.00 H new ATOM 0 HG22 VAL A 91 5.369 -7.882 -2.821 1.00 0.00 H new ATOM 0 HG23 VAL A 91 4.777 -7.493 -4.454 1.00 0.00 H new ATOM 1398 N GLU A 92 1.122 -8.878 -4.830 1.00 0.00 N ATOM 1399 CA GLU A 92 0.622 -9.069 -6.186 1.00 0.00 C ATOM 1400 C GLU A 92 0.391 -7.727 -6.875 1.00 0.00 C ATOM 1401 O GLU A 92 -0.745 -7.268 -6.996 1.00 0.00 O ATOM 1402 CB GLU A 92 -0.678 -9.875 -6.165 1.00 0.00 C ATOM 1403 CG GLU A 92 -0.943 -10.636 -7.454 1.00 0.00 C ATOM 1404 CD GLU A 92 -1.971 -11.737 -7.280 1.00 0.00 C ATOM 1405 OE1 GLU A 92 -2.230 -12.130 -6.124 1.00 0.00 O ATOM 1406 OE2 GLU A 92 -2.516 -12.205 -8.302 1.00 0.00 O ATOM 0 H GLU A 92 0.407 -8.622 -4.149 1.00 0.00 H new ATOM 0 HA GLU A 92 1.374 -9.622 -6.749 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -0.644 -10.582 -5.336 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -1.512 -9.199 -5.974 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.288 -9.940 -8.218 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -0.010 -11.069 -7.815 1.00 0.00 H new ATOM 1413 N TRP A 93 1.475 -7.104 -7.324 1.00 0.00 N ATOM 1414 CA TRP A 93 1.390 -5.815 -8.000 1.00 0.00 C ATOM 1415 C TRP A 93 0.358 -5.855 -9.122 1.00 0.00 C ATOM 1416 O TRP A 93 0.341 -6.786 -9.927 1.00 0.00 O ATOM 1417 CB TRP A 93 2.757 -5.420 -8.561 1.00 0.00 C ATOM 1418 CG TRP A 93 3.675 -4.834 -7.531 1.00 0.00 C ATOM 1419 CD1 TRP A 93 4.683 -5.477 -6.871 1.00 0.00 C ATOM 1420 CD2 TRP A 93 3.667 -3.488 -7.042 1.00 0.00 C ATOM 1421 NE1 TRP A 93 5.303 -4.612 -6.002 1.00 0.00 N ATOM 1422 CE2 TRP A 93 4.699 -3.386 -6.088 1.00 0.00 C ATOM 1423 CE3 TRP A 93 2.891 -2.360 -7.319 1.00 0.00 C ATOM 1424 CZ2 TRP A 93 4.971 -2.200 -5.411 1.00 0.00 C ATOM 1425 CZ3 TRP A 93 3.162 -1.184 -6.646 1.00 0.00 C ATOM 1426 CH2 TRP A 93 4.195 -1.111 -5.701 1.00 0.00 C ATOM 0 H TRP A 93 2.422 -7.471 -7.232 1.00 0.00 H new ATOM 0 HA TRP A 93 1.075 -5.070 -7.270 1.00 0.00 H new ATOM 0 HB2 TRP A 93 3.229 -6.299 -9.000 1.00 0.00 H new ATOM 0 HB3 TRP A 93 2.617 -4.698 -9.365 1.00 0.00 H new ATOM 0 HD1 TRP A 93 4.953 -6.513 -7.011 1.00 0.00 H new ATOM 0 HE1 TRP A 93 6.086 -4.845 -5.392 1.00 0.00 H new ATOM 0 HE3 TRP A 93 2.094 -2.406 -8.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 5.766 -2.142 -4.683 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 2.568 -0.306 -6.852 1.00 0.00 H new ATOM 0 HH2 TRP A 93 4.382 -0.177 -5.192 1.00 0.00 H new ATOM 1437 N ILE A 94 -0.498 -4.841 -9.168 1.00 0.00 N ATOM 1438 CA ILE A 94 -1.532 -4.761 -10.193 1.00 0.00 C ATOM 1439 C ILE A 94 -1.176 -3.724 -11.253 1.00 0.00 C ATOM 1440 O ILE A 94 -1.041 -4.048 -12.433 1.00 0.00 O ATOM 1441 CB ILE A 94 -2.902 -4.408 -9.585 1.00 0.00 C ATOM 1442 CG1 ILE A 94 -3.271 -5.409 -8.489 1.00 0.00 C ATOM 1443 CG2 ILE A 94 -3.971 -4.381 -10.667 1.00 0.00 C ATOM 1444 CD1 ILE A 94 -2.612 -5.119 -7.158 1.00 0.00 C ATOM 0 H ILE A 94 -0.497 -4.063 -8.508 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.593 -5.745 -10.657 1.00 0.00 H new ATOM 0 HB ILE A 94 -2.840 -3.416 -9.139 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -4.353 -5.408 -8.357 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.990 -6.411 -8.814 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.934 -4.130 -10.221 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -3.712 -3.633 -11.416 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -4.035 -5.361 -11.140 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.919 -5.869 -6.429 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.529 -5.148 -7.274 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -2.913 -4.131 -6.811 1.00 0.00 H new ATOM 1456 N ARG A 95 -1.025 -2.475 -10.824 1.00 0.00 N ATOM 1457 CA ARG A 95 -0.684 -1.390 -11.736 1.00 0.00 C ATOM 1458 C ARG A 95 0.630 -0.730 -11.328 1.00 0.00 C ATOM 1459 O ARG A 95 0.849 -0.430 -10.154 1.00 0.00 O ATOM 1460 CB ARG A 95 -1.803 -0.348 -11.763 1.00 0.00 C ATOM 1461 CG ARG A 95 -3.167 -0.928 -12.102 1.00 0.00 C ATOM 1462 CD ARG A 95 -3.354 -1.071 -13.604 1.00 0.00 C ATOM 1463 NE ARG A 95 -2.559 -2.166 -14.153 1.00 0.00 N ATOM 1464 CZ ARG A 95 -2.966 -3.431 -14.173 1.00 0.00 C ATOM 1465 NH1 ARG A 95 -4.152 -3.757 -13.679 1.00 0.00 N ATOM 1466 NH2 ARG A 95 -2.186 -4.372 -14.690 1.00 0.00 N ATOM 0 H ARG A 95 -1.133 -2.190 -9.851 1.00 0.00 H new ATOM 0 HA ARG A 95 -0.565 -1.811 -12.734 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -1.857 0.140 -10.790 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -1.553 0.422 -12.493 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -3.278 -1.902 -11.626 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -3.948 -0.285 -11.697 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -4.408 -1.243 -13.823 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -3.074 -0.139 -14.094 1.00 0.00 H new ATOM 0 HE ARG A 95 -1.642 -1.948 -14.542 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -4.755 -3.036 -13.282 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -4.462 -4.729 -13.696 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -1.273 -4.125 -15.072 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -2.499 -5.343 -14.705 1.00 0.00 H new ATOM 1480 N LYS A 96 1.502 -0.506 -12.305 1.00 0.00 N ATOM 1481 CA LYS A 96 2.795 0.119 -12.050 1.00 0.00 C ATOM 1482 C LYS A 96 2.872 1.495 -12.703 1.00 0.00 C ATOM 1483 O LYS A 96 3.960 2.019 -12.939 1.00 0.00 O ATOM 1484 CB LYS A 96 3.926 -0.770 -12.572 1.00 0.00 C ATOM 1485 CG LYS A 96 4.118 -2.045 -11.770 1.00 0.00 C ATOM 1486 CD LYS A 96 4.719 -3.152 -12.618 1.00 0.00 C ATOM 1487 CE LYS A 96 5.222 -4.303 -11.759 1.00 0.00 C ATOM 1488 NZ LYS A 96 6.112 -5.219 -12.523 1.00 0.00 N ATOM 0 H LYS A 96 1.337 -0.748 -13.282 1.00 0.00 H new ATOM 0 HA LYS A 96 2.906 0.241 -10.973 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.721 -1.031 -13.610 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.856 -0.202 -12.564 1.00 0.00 H new ATOM 0 HG2 LYS A 96 4.767 -1.845 -10.918 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.158 -2.372 -11.370 1.00 0.00 H new ATOM 0 HD2 LYS A 96 3.971 -3.521 -13.320 1.00 0.00 H new ATOM 0 HD3 LYS A 96 5.542 -2.752 -13.210 1.00 0.00 H new ATOM 0 HE2 LYS A 96 5.762 -3.905 -10.900 1.00 0.00 H new ATOM 0 HE3 LYS A 96 4.372 -4.864 -11.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 6.433 -5.989 -11.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 5.590 -5.619 -13.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 6.936 -4.690 -12.873 1.00 0.00 H new ATOM 1502 N GLU A 97 1.711 2.075 -12.991 1.00 0.00 N ATOM 1503 CA GLU A 97 1.649 3.390 -13.617 1.00 0.00 C ATOM 1504 C GLU A 97 1.689 4.495 -12.565 1.00 0.00 C ATOM 1505 O GLU A 97 1.058 4.389 -11.513 1.00 0.00 O ATOM 1506 CB GLU A 97 0.378 3.520 -14.459 1.00 0.00 C ATOM 1507 CG GLU A 97 0.463 4.598 -15.527 1.00 0.00 C ATOM 1508 CD GLU A 97 1.731 4.502 -16.353 1.00 0.00 C ATOM 1509 OE1 GLU A 97 1.741 3.736 -17.339 1.00 0.00 O ATOM 1510 OE2 GLU A 97 2.713 5.195 -16.014 1.00 0.00 O ATOM 0 H GLU A 97 0.801 1.655 -12.801 1.00 0.00 H new ATOM 0 HA GLU A 97 2.518 3.496 -14.266 1.00 0.00 H new ATOM 0 HB2 GLU A 97 0.169 2.563 -14.937 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -0.463 3.738 -13.801 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -0.402 4.521 -16.186 1.00 0.00 H new ATOM 0 HG3 GLU A 97 0.416 5.578 -15.053 1.00 0.00 H new ATOM 1517 N SER A 98 2.437 5.555 -12.856 1.00 0.00 N ATOM 1518 CA SER A 98 2.564 6.677 -11.935 1.00 0.00 C ATOM 1519 C SER A 98 1.323 7.563 -11.983 1.00 0.00 C ATOM 1520 O SER A 98 1.015 8.164 -13.013 1.00 0.00 O ATOM 1521 CB SER A 98 3.808 7.503 -12.272 1.00 0.00 C ATOM 1522 OG SER A 98 3.822 8.722 -11.549 1.00 0.00 O ATOM 0 H SER A 98 2.964 5.660 -13.723 1.00 0.00 H new ATOM 0 HA SER A 98 2.664 6.277 -10.926 1.00 0.00 H new ATOM 0 HB2 SER A 98 4.704 6.928 -12.039 1.00 0.00 H new ATOM 0 HB3 SER A 98 3.832 7.711 -13.342 1.00 0.00 H new ATOM 0 HG SER A 98 4.627 9.231 -11.781 1.00 0.00 H new ATOM 1528 N LEU A 99 0.615 7.640 -10.862 1.00 0.00 N ATOM 1529 CA LEU A 99 -0.594 8.452 -10.775 1.00 0.00 C ATOM 1530 C LEU A 99 -0.314 9.769 -10.058 1.00 0.00 C ATOM 1531 O LEU A 99 0.212 9.799 -8.945 1.00 0.00 O ATOM 1532 CB LEU A 99 -1.696 7.684 -10.043 1.00 0.00 C ATOM 1533 CG LEU A 99 -2.955 8.482 -9.699 1.00 0.00 C ATOM 1534 CD1 LEU A 99 -3.855 8.611 -10.918 1.00 0.00 C ATOM 1535 CD2 LEU A 99 -3.703 7.827 -8.548 1.00 0.00 C ATOM 0 H LEU A 99 0.857 7.150 -10.001 1.00 0.00 H new ATOM 0 HA LEU A 99 -0.927 8.675 -11.789 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -1.987 6.832 -10.657 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -1.280 7.284 -9.119 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.654 9.482 -9.388 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.745 9.182 -10.654 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.317 9.125 -11.714 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -4.148 7.619 -11.260 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.596 8.408 -8.317 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -3.992 6.815 -8.831 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.058 7.788 -7.670 1.00 0.00 H new ATOM 1547 N PRO A 100 -0.676 10.885 -10.708 1.00 0.00 N ATOM 1548 CA PRO A 100 -0.476 12.226 -10.150 1.00 0.00 C ATOM 1549 C PRO A 100 -1.392 12.503 -8.964 1.00 0.00 C ATOM 1550 O PRO A 100 -2.558 12.107 -8.961 1.00 0.00 O ATOM 1551 CB PRO A 100 -0.820 13.152 -11.320 1.00 0.00 C ATOM 1552 CG PRO A 100 -1.747 12.356 -12.172 1.00 0.00 C ATOM 1553 CD PRO A 100 -1.308 10.924 -12.037 1.00 0.00 C ATOM 0 HA PRO A 100 0.535 12.361 -9.765 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -1.292 14.071 -10.972 1.00 0.00 H new ATOM 0 HB3 PRO A 100 0.074 13.442 -11.872 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.780 12.480 -11.846 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -1.699 12.682 -13.211 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -2.152 10.237 -12.101 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -0.608 10.643 -12.823 1.00 0.00 H new ATOM 1561 N PHE A 101 -0.858 13.186 -7.956 1.00 0.00 N ATOM 1562 CA PHE A 101 -1.629 13.515 -6.763 1.00 0.00 C ATOM 1563 C PHE A 101 -2.861 14.340 -7.122 1.00 0.00 C ATOM 1564 O PHE A 101 -3.846 14.356 -6.384 1.00 0.00 O ATOM 1565 CB PHE A 101 -0.760 14.283 -5.765 1.00 0.00 C ATOM 1566 CG PHE A 101 0.019 13.393 -4.839 1.00 0.00 C ATOM 1567 CD1 PHE A 101 -0.606 12.353 -4.168 1.00 0.00 C ATOM 1568 CD2 PHE A 101 1.375 13.595 -4.639 1.00 0.00 C ATOM 1569 CE1 PHE A 101 0.108 11.533 -3.315 1.00 0.00 C ATOM 1570 CE2 PHE A 101 2.094 12.778 -3.788 1.00 0.00 C ATOM 1571 CZ PHE A 101 1.460 11.745 -3.125 1.00 0.00 C ATOM 0 H PHE A 101 0.105 13.522 -7.942 1.00 0.00 H new ATOM 0 HA PHE A 101 -1.959 12.583 -6.305 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -0.066 14.919 -6.314 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -1.396 14.942 -5.173 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -1.662 12.182 -4.314 1.00 0.00 H new ATOM 0 HD2 PHE A 101 1.876 14.401 -5.155 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -0.391 10.727 -2.797 1.00 0.00 H new ATOM 0 HE2 PHE A 101 3.151 12.947 -3.641 1.00 0.00 H new ATOM 0 HZ PHE A 101 2.020 11.105 -2.460 1.00 0.00 H new ATOM 1581 N GLN A 102 -2.797 15.025 -8.259 1.00 0.00 N ATOM 1582 CA GLN A 102 -3.907 15.854 -8.715 1.00 0.00 C ATOM 1583 C GLN A 102 -5.165 15.016 -8.916 1.00 0.00 C ATOM 1584 O GLN A 102 -6.283 15.525 -8.830 1.00 0.00 O ATOM 1585 CB GLN A 102 -3.538 16.563 -10.020 1.00 0.00 C ATOM 1586 CG GLN A 102 -4.728 17.189 -10.728 1.00 0.00 C ATOM 1587 CD GLN A 102 -4.326 18.315 -11.661 1.00 0.00 C ATOM 1588 OE1 GLN A 102 -3.654 19.264 -11.254 1.00 0.00 O ATOM 1589 NE2 GLN A 102 -4.735 18.215 -12.920 1.00 0.00 N ATOM 0 H GLN A 102 -1.989 15.023 -8.881 1.00 0.00 H new ATOM 0 HA GLN A 102 -4.109 16.601 -7.948 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -2.803 17.339 -9.807 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -3.062 15.848 -10.691 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -5.253 16.421 -11.296 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -5.429 17.570 -9.985 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -5.290 17.411 -13.214 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -4.494 18.942 -13.594 1.00 0.00 H new ATOM 1598 N PHE A 103 -4.976 13.728 -9.184 1.00 0.00 N ATOM 1599 CA PHE A 103 -6.096 12.819 -9.399 1.00 0.00 C ATOM 1600 C PHE A 103 -6.768 12.463 -8.076 1.00 0.00 C ATOM 1601 O PHE A 103 -7.994 12.383 -7.992 1.00 0.00 O ATOM 1602 CB PHE A 103 -5.620 11.546 -10.101 1.00 0.00 C ATOM 1603 CG PHE A 103 -5.606 11.657 -11.599 1.00 0.00 C ATOM 1604 CD1 PHE A 103 -5.064 12.772 -12.219 1.00 0.00 C ATOM 1605 CD2 PHE A 103 -6.134 10.647 -12.387 1.00 0.00 C ATOM 1606 CE1 PHE A 103 -5.049 12.877 -13.597 1.00 0.00 C ATOM 1607 CE2 PHE A 103 -6.121 10.747 -13.765 1.00 0.00 C ATOM 1608 CZ PHE A 103 -5.579 11.864 -14.371 1.00 0.00 C ATOM 0 H PHE A 103 -4.058 13.290 -9.257 1.00 0.00 H new ATOM 0 HA PHE A 103 -6.825 13.324 -10.033 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -4.616 11.303 -9.753 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -6.267 10.718 -9.812 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -4.649 13.568 -11.618 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -6.560 9.772 -11.919 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -4.623 13.751 -14.068 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -6.534 9.952 -14.368 1.00 0.00 H new ATOM 0 HZ PHE A 103 -5.570 11.945 -15.448 1.00 0.00 H new ATOM 1618 N ALA A 104 -5.957 12.249 -7.045 1.00 0.00 N ATOM 1619 CA ALA A 104 -6.472 11.903 -5.727 1.00 0.00 C ATOM 1620 C ALA A 104 -6.528 13.128 -4.820 1.00 0.00 C ATOM 1621 O ALA A 104 -6.636 13.006 -3.600 1.00 0.00 O ATOM 1622 CB ALA A 104 -5.616 10.816 -5.094 1.00 0.00 C ATOM 0 H ALA A 104 -4.940 12.309 -7.098 1.00 0.00 H new ATOM 0 HA ALA A 104 -7.487 11.526 -5.849 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -6.013 10.568 -4.110 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.630 9.928 -5.726 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.591 11.173 -4.993 1.00 0.00 H new ATOM 1628 N HIS A 105 -6.454 14.310 -5.425 1.00 0.00 N ATOM 1629 CA HIS A 105 -6.497 15.558 -4.671 1.00 0.00 C ATOM 1630 C HIS A 105 -7.863 15.754 -4.021 1.00 0.00 C ATOM 1631 O HIS A 105 -7.974 16.368 -2.960 1.00 0.00 O ATOM 1632 CB HIS A 105 -6.180 16.742 -5.586 1.00 0.00 C ATOM 1633 CG HIS A 105 -5.806 17.988 -4.845 1.00 0.00 C ATOM 1634 ND1 HIS A 105 -6.122 18.199 -3.520 1.00 0.00 N ATOM 1635 CD2 HIS A 105 -5.136 19.092 -5.251 1.00 0.00 C ATOM 1636 CE1 HIS A 105 -5.665 19.380 -3.143 1.00 0.00 C ATOM 1637 NE2 HIS A 105 -5.061 19.942 -4.175 1.00 0.00 N ATOM 0 H HIS A 105 -6.364 14.429 -6.434 1.00 0.00 H new ATOM 0 HA HIS A 105 -5.745 15.504 -3.884 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -5.363 16.467 -6.253 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -7.047 16.948 -6.213 1.00 0.00 H new ATOM 0 HD1 HIS A 105 -6.629 17.545 -2.924 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -4.735 19.271 -6.238 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -5.768 19.812 -2.159 1.00 0.00 H new ATOM 1645 N HIS A 106 -8.900 15.228 -4.665 1.00 0.00 N ATOM 1646 CA HIS A 106 -10.259 15.345 -4.149 1.00 0.00 C ATOM 1647 C HIS A 106 -10.517 14.310 -3.058 1.00 0.00 C ATOM 1648 O HIS A 106 -11.408 14.481 -2.224 1.00 0.00 O ATOM 1649 CB HIS A 106 -11.273 15.174 -5.280 1.00 0.00 C ATOM 1650 CG HIS A 106 -11.292 13.796 -5.865 1.00 0.00 C ATOM 1651 ND1 HIS A 106 -10.256 13.284 -6.618 1.00 0.00 N ATOM 1652 CD2 HIS A 106 -12.227 12.820 -5.803 1.00 0.00 C ATOM 1653 CE1 HIS A 106 -10.554 12.054 -6.995 1.00 0.00 C ATOM 1654 NE2 HIS A 106 -11.745 11.747 -6.513 1.00 0.00 N ATOM 0 H HIS A 106 -8.825 14.717 -5.545 1.00 0.00 H new ATOM 0 HA HIS A 106 -10.373 16.339 -3.717 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -12.268 15.414 -4.904 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -11.049 15.892 -6.069 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -13.176 12.874 -5.291 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -9.930 11.409 -7.595 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -12.228 10.858 -6.646 1.00 0.00 H new ATOM 1662 N LEU A 107 -9.734 13.238 -3.069 1.00 0.00 N ATOM 1663 CA LEU A 107 -9.878 12.175 -2.081 1.00 0.00 C ATOM 1664 C LEU A 107 -9.124 12.516 -0.800 1.00 0.00 C ATOM 1665 O LEU A 107 -8.049 13.116 -0.840 1.00 0.00 O ATOM 1666 CB LEU A 107 -9.366 10.850 -2.650 1.00 0.00 C ATOM 1667 CG LEU A 107 -9.867 10.481 -4.047 1.00 0.00 C ATOM 1668 CD1 LEU A 107 -9.187 9.213 -4.540 1.00 0.00 C ATOM 1669 CD2 LEU A 107 -11.379 10.312 -4.044 1.00 0.00 C ATOM 0 H LEU A 107 -8.992 13.081 -3.751 1.00 0.00 H new ATOM 0 HA LEU A 107 -10.937 12.076 -1.842 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -8.277 10.885 -2.674 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -9.645 10.051 -1.963 1.00 0.00 H new ATOM 0 HG LEU A 107 -9.614 11.293 -4.729 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -9.556 8.966 -5.535 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -8.109 9.371 -4.581 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -9.408 8.393 -3.857 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -11.718 10.050 -5.046 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -11.655 9.519 -3.349 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -11.849 11.246 -3.735 1.00 0.00 H new ATOM 1681 N LEU A 108 -9.693 12.129 0.336 1.00 0.00 N ATOM 1682 CA LEU A 108 -9.074 12.392 1.631 1.00 0.00 C ATOM 1683 C LEU A 108 -9.294 11.224 2.587 1.00 0.00 C ATOM 1684 O LEU A 108 -9.873 10.205 2.215 1.00 0.00 O ATOM 1685 CB LEU A 108 -9.640 13.677 2.238 1.00 0.00 C ATOM 1686 CG LEU A 108 -9.675 14.896 1.315 1.00 0.00 C ATOM 1687 CD1 LEU A 108 -10.639 15.943 1.851 1.00 0.00 C ATOM 1688 CD2 LEU A 108 -8.281 15.485 1.156 1.00 0.00 C ATOM 0 H LEU A 108 -10.582 11.632 0.387 1.00 0.00 H new ATOM 0 HA LEU A 108 -8.002 12.513 1.476 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -10.655 13.477 2.581 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -9.050 13.930 3.119 1.00 0.00 H new ATOM 0 HG LEU A 108 -10.026 14.575 0.334 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -10.651 16.803 1.182 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -11.641 15.518 1.913 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -10.317 16.260 2.843 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -8.325 16.351 0.496 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -7.902 15.791 2.131 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -7.616 14.735 0.727 1.00 0.00 H new ATOM 1700 N ASN A 109 -8.829 11.382 3.822 1.00 0.00 N ATOM 1701 CA ASN A 109 -8.977 10.341 4.833 1.00 0.00 C ATOM 1702 C ASN A 109 -9.732 10.868 6.050 1.00 0.00 C ATOM 1703 O ASN A 109 -9.181 11.572 6.896 1.00 0.00 O ATOM 1704 CB ASN A 109 -7.605 9.816 5.259 1.00 0.00 C ATOM 1705 CG ASN A 109 -7.706 8.632 6.202 1.00 0.00 C ATOM 1706 OD1 ASN A 109 -7.304 8.713 7.363 1.00 0.00 O ATOM 1707 ND2 ASN A 109 -8.244 7.524 5.705 1.00 0.00 N ATOM 0 H ASN A 109 -8.347 12.220 4.147 1.00 0.00 H new ATOM 0 HA ASN A 109 -9.552 9.524 4.396 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -7.040 9.525 4.374 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -7.047 10.617 5.744 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -8.337 6.695 6.292 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -8.564 7.502 4.737 1.00 0.00 H new ATOM 1714 N PRO A 110 -11.024 10.519 6.142 1.00 0.00 N ATOM 1715 CA PRO A 110 -11.882 10.945 7.251 1.00 0.00 C ATOM 1716 C PRO A 110 -11.506 10.271 8.567 1.00 0.00 C ATOM 1717 O PRO A 110 -11.946 10.690 9.637 1.00 0.00 O ATOM 1718 CB PRO A 110 -13.280 10.507 6.807 1.00 0.00 C ATOM 1719 CG PRO A 110 -13.041 9.375 5.869 1.00 0.00 C ATOM 1720 CD PRO A 110 -11.746 9.682 5.169 1.00 0.00 C ATOM 0 HA PRO A 110 -11.797 12.014 7.444 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -13.886 10.195 7.658 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -13.813 11.322 6.317 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -12.979 8.429 6.407 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -13.858 9.282 5.154 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -11.192 8.774 4.931 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -11.912 10.210 4.230 1.00 0.00 H new ATOM 1728 N TRP A 111 -10.689 9.228 8.479 1.00 0.00 N ATOM 1729 CA TRP A 111 -10.253 8.497 9.663 1.00 0.00 C ATOM 1730 C TRP A 111 -9.027 9.154 10.288 1.00 0.00 C ATOM 1731 O TRP A 111 -8.782 9.019 11.486 1.00 0.00 O ATOM 1732 CB TRP A 111 -9.940 7.043 9.304 1.00 0.00 C ATOM 1733 CG TRP A 111 -11.165 6.207 9.091 1.00 0.00 C ATOM 1734 CD1 TRP A 111 -12.425 6.655 8.811 1.00 0.00 C ATOM 1735 CD2 TRP A 111 -11.247 4.779 9.142 1.00 0.00 C ATOM 1736 NE1 TRP A 111 -13.285 5.591 8.686 1.00 0.00 N ATOM 1737 CE2 TRP A 111 -12.587 4.429 8.883 1.00 0.00 C ATOM 1738 CE3 TRP A 111 -10.319 3.761 9.379 1.00 0.00 C ATOM 1739 CZ2 TRP A 111 -13.019 3.105 8.857 1.00 0.00 C ATOM 1740 CZ3 TRP A 111 -10.749 2.448 9.353 1.00 0.00 C ATOM 1741 CH2 TRP A 111 -12.089 2.129 9.093 1.00 0.00 C ATOM 0 H TRP A 111 -10.315 8.869 7.600 1.00 0.00 H new ATOM 0 HA TRP A 111 -11.064 8.518 10.391 1.00 0.00 H new ATOM 0 HB2 TRP A 111 -9.333 7.022 8.399 1.00 0.00 H new ATOM 0 HB3 TRP A 111 -9.341 6.601 10.100 1.00 0.00 H new ATOM 0 HD1 TRP A 111 -12.704 7.693 8.704 1.00 0.00 H new ATOM 0 HE1 TRP A 111 -14.282 5.656 8.480 1.00 0.00 H new ATOM 0 HE3 TRP A 111 -9.284 3.996 9.579 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 -14.051 2.857 8.658 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 -10.040 1.654 9.536 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -12.393 1.093 9.079 1.00 0.00 H new ATOM 1752 N ASN A 112 -8.261 9.867 9.469 1.00 0.00 N ATOM 1753 CA ASN A 112 -7.060 10.545 9.943 1.00 0.00 C ATOM 1754 C ASN A 112 -7.237 12.060 9.898 1.00 0.00 C ATOM 1755 O ASN A 112 -6.402 12.777 9.347 1.00 0.00 O ATOM 1756 CB ASN A 112 -5.851 10.137 9.098 1.00 0.00 C ATOM 1757 CG ASN A 112 -4.551 10.701 9.639 1.00 0.00 C ATOM 1758 OD1 ASN A 112 -4.200 10.479 10.797 1.00 0.00 O ATOM 1759 ND2 ASN A 112 -3.831 11.435 8.798 1.00 0.00 N ATOM 0 H ASN A 112 -8.450 9.990 8.474 1.00 0.00 H new ATOM 0 HA ASN A 112 -6.889 10.247 10.977 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -5.786 9.050 9.063 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -5.995 10.480 8.074 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -2.947 11.841 9.104 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -4.162 11.592 7.846 1.00 0.00 H new ATOM 1766 N ASP A 113 -8.330 12.539 10.483 1.00 0.00 N ATOM 1767 CA ASP A 113 -8.616 13.969 10.512 1.00 0.00 C ATOM 1768 C ASP A 113 -8.881 14.499 9.106 1.00 0.00 C ATOM 1769 O ASP A 113 -8.305 15.503 8.692 1.00 0.00 O ATOM 1770 CB ASP A 113 -7.452 14.732 11.147 1.00 0.00 C ATOM 1771 CG ASP A 113 -7.893 16.035 11.784 1.00 0.00 C ATOM 1772 OD1 ASP A 113 -8.481 15.988 12.884 1.00 0.00 O ATOM 1773 OD2 ASP A 113 -7.651 17.102 11.182 1.00 0.00 O ATOM 0 H ASP A 113 -9.032 11.959 10.943 1.00 0.00 H new ATOM 0 HA ASP A 113 -9.512 14.123 11.114 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -6.978 14.104 11.902 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -6.699 14.939 10.386 1.00 0.00 H new ATOM 1778 N ASN A 114 -9.757 13.814 8.377 1.00 0.00 N ATOM 1779 CA ASN A 114 -10.097 14.215 7.016 1.00 0.00 C ATOM 1780 C ASN A 114 -8.873 14.765 6.289 1.00 0.00 C ATOM 1781 O ASN A 114 -8.974 15.713 5.511 1.00 0.00 O ATOM 1782 CB ASN A 114 -11.208 15.266 7.035 1.00 0.00 C ATOM 1783 CG ASN A 114 -10.803 16.523 7.780 1.00 0.00 C ATOM 1784 OD1 ASN A 114 -10.941 16.606 9.001 1.00 0.00 O ATOM 1785 ND2 ASN A 114 -10.299 17.509 7.047 1.00 0.00 N ATOM 0 H ASN A 114 -10.244 12.980 8.705 1.00 0.00 H new ATOM 0 HA ASN A 114 -10.449 13.333 6.481 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -11.477 15.525 6.011 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -12.098 14.842 7.501 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -10.008 18.379 7.493 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -10.203 17.396 6.038 1.00 0.00 H new ATOM 1792 N LYS A 115 -7.718 14.163 6.548 1.00 0.00 N ATOM 1793 CA LYS A 115 -6.474 14.589 5.918 1.00 0.00 C ATOM 1794 C LYS A 115 -6.283 13.901 4.571 1.00 0.00 C ATOM 1795 O LYS A 115 -6.645 12.737 4.399 1.00 0.00 O ATOM 1796 CB LYS A 115 -5.285 14.284 6.832 1.00 0.00 C ATOM 1797 CG LYS A 115 -5.004 15.376 7.850 1.00 0.00 C ATOM 1798 CD LYS A 115 -4.473 16.635 7.186 1.00 0.00 C ATOM 1799 CE LYS A 115 -4.269 17.754 8.195 1.00 0.00 C ATOM 1800 NZ LYS A 115 -2.919 17.697 8.821 1.00 0.00 N ATOM 0 H LYS A 115 -7.617 13.377 7.191 1.00 0.00 H new ATOM 0 HA LYS A 115 -6.530 15.665 5.752 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -5.473 13.348 7.358 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -4.396 14.133 6.219 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -5.918 15.610 8.396 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -4.280 15.016 8.581 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -3.528 16.415 6.689 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -5.170 16.962 6.414 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -4.400 18.717 7.701 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -5.032 17.687 8.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -2.819 18.476 9.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -2.803 16.789 9.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -2.191 17.786 8.084 1.00 0.00 H new ATOM 1814 N LYS A 116 -5.710 14.627 3.617 1.00 0.00 N ATOM 1815 CA LYS A 116 -5.467 14.086 2.284 1.00 0.00 C ATOM 1816 C LYS A 116 -4.970 12.646 2.364 1.00 0.00 C ATOM 1817 O LYS A 116 -4.237 12.282 3.283 1.00 0.00 O ATOM 1818 CB LYS A 116 -4.446 14.949 1.540 1.00 0.00 C ATOM 1819 CG LYS A 116 -4.144 14.457 0.135 1.00 0.00 C ATOM 1820 CD LYS A 116 -5.019 15.147 -0.898 1.00 0.00 C ATOM 1821 CE LYS A 116 -4.453 16.503 -1.291 1.00 0.00 C ATOM 1822 NZ LYS A 116 -3.394 16.382 -2.332 1.00 0.00 N ATOM 0 H LYS A 116 -5.405 15.592 3.742 1.00 0.00 H new ATOM 0 HA LYS A 116 -6.410 14.096 1.737 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -4.818 15.972 1.486 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -3.519 14.977 2.113 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -3.094 14.638 -0.097 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -4.301 13.380 0.084 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -5.105 14.517 -1.783 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -6.025 15.273 -0.498 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -5.257 17.138 -1.663 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -4.041 16.994 -0.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -2.777 17.219 -2.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -2.828 15.527 -2.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -3.836 16.315 -3.271 1.00 0.00 H new ATOM 1836 N VAL A 117 -5.373 11.832 1.394 1.00 0.00 N ATOM 1837 CA VAL A 117 -4.967 10.432 1.353 1.00 0.00 C ATOM 1838 C VAL A 117 -3.448 10.300 1.360 1.00 0.00 C ATOM 1839 O VAL A 117 -2.891 9.473 2.081 1.00 0.00 O ATOM 1840 CB VAL A 117 -5.527 9.722 0.106 1.00 0.00 C ATOM 1841 CG1 VAL A 117 -5.400 8.213 0.249 1.00 0.00 C ATOM 1842 CG2 VAL A 117 -6.975 10.123 -0.130 1.00 0.00 C ATOM 0 H VAL A 117 -5.980 12.118 0.626 1.00 0.00 H new ATOM 0 HA VAL A 117 -5.374 9.958 2.246 1.00 0.00 H new ATOM 0 HB VAL A 117 -4.942 10.032 -0.760 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -5.801 7.728 -0.641 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -4.350 7.946 0.366 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -5.958 7.882 1.125 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -7.354 9.612 -1.015 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -7.576 9.844 0.736 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -7.034 11.201 -0.280 1.00 0.00 H new ATOM 1852 N GLN A 118 -2.784 11.122 0.553 1.00 0.00 N ATOM 1853 CA GLN A 118 -1.329 11.097 0.468 1.00 0.00 C ATOM 1854 C GLN A 118 -0.699 11.360 1.831 1.00 0.00 C ATOM 1855 O GLN A 118 0.363 10.823 2.149 1.00 0.00 O ATOM 1856 CB GLN A 118 -0.839 12.135 -0.543 1.00 0.00 C ATOM 1857 CG GLN A 118 -0.613 13.512 0.060 1.00 0.00 C ATOM 1858 CD GLN A 118 0.753 13.651 0.702 1.00 0.00 C ATOM 1859 OE1 GLN A 118 1.477 12.669 0.867 1.00 0.00 O ATOM 1860 NE2 GLN A 118 1.113 14.875 1.069 1.00 0.00 N ATOM 0 H GLN A 118 -3.230 11.813 -0.050 1.00 0.00 H new ATOM 0 HA GLN A 118 -1.027 10.104 0.135 1.00 0.00 H new ATOM 0 HB2 GLN A 118 0.092 11.785 -0.988 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -1.567 12.216 -1.350 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -0.723 14.268 -0.718 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -1.383 13.708 0.806 1.00 0.00 H new ATOM 0 HE21 GLN A 118 0.481 15.661 0.913 1.00 0.00 H new ATOM 0 HE22 GLN A 118 2.021 15.030 1.507 1.00 0.00 H new ATOM 1869 N ILE A 119 -1.358 12.190 2.632 1.00 0.00 N ATOM 1870 CA ILE A 119 -0.862 12.523 3.962 1.00 0.00 C ATOM 1871 C ILE A 119 -1.050 11.358 4.927 1.00 0.00 C ATOM 1872 O ILE A 119 -1.805 11.454 5.894 1.00 0.00 O ATOM 1873 CB ILE A 119 -1.571 13.766 4.532 1.00 0.00 C ATOM 1874 CG1 ILE A 119 -1.419 14.951 3.575 1.00 0.00 C ATOM 1875 CG2 ILE A 119 -1.014 14.111 5.904 1.00 0.00 C ATOM 1876 CD1 ILE A 119 -2.365 16.092 3.872 1.00 0.00 C ATOM 0 H ILE A 119 -2.237 12.644 2.383 1.00 0.00 H new ATOM 0 HA ILE A 119 0.202 12.737 3.857 1.00 0.00 H new ATOM 0 HB ILE A 119 -2.633 13.543 4.638 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -0.394 15.318 3.624 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -1.586 14.607 2.554 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -1.525 14.991 6.293 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -1.170 13.272 6.582 1.00 0.00 H new ATOM 0 HG23 ILE A 119 0.053 14.318 5.822 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -2.201 16.896 3.155 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -3.394 15.741 3.795 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -2.183 16.463 4.881 1.00 0.00 H new ATOM 1888 N SER A 120 -0.356 10.256 4.658 1.00 0.00 N ATOM 1889 CA SER A 120 -0.447 9.070 5.501 1.00 0.00 C ATOM 1890 C SER A 120 0.931 8.453 5.720 1.00 0.00 C ATOM 1891 O SER A 120 1.641 8.136 4.765 1.00 0.00 O ATOM 1892 CB SER A 120 -1.385 8.040 4.870 1.00 0.00 C ATOM 1893 OG SER A 120 -2.725 8.254 5.278 1.00 0.00 O ATOM 0 H SER A 120 0.275 10.160 3.863 1.00 0.00 H new ATOM 0 HA SER A 120 -0.849 9.372 6.468 1.00 0.00 H new ATOM 0 HB2 SER A 120 -1.318 8.100 3.784 1.00 0.00 H new ATOM 0 HB3 SER A 120 -1.071 7.035 5.154 1.00 0.00 H new ATOM 0 HG SER A 120 -3.305 7.584 4.860 1.00 0.00 H new ATOM 1899 N ARG A 121 1.303 8.284 6.985 1.00 0.00 N ATOM 1900 CA ARG A 121 2.596 7.705 7.331 1.00 0.00 C ATOM 1901 C ARG A 121 2.607 6.203 7.066 1.00 0.00 C ATOM 1902 O ARG A 121 1.574 5.539 7.157 1.00 0.00 O ATOM 1903 CB ARG A 121 2.924 7.978 8.800 1.00 0.00 C ATOM 1904 CG ARG A 121 3.000 9.457 9.143 1.00 0.00 C ATOM 1905 CD ARG A 121 3.693 9.685 10.477 1.00 0.00 C ATOM 1906 NE ARG A 121 4.161 11.060 10.622 1.00 0.00 N ATOM 1907 CZ ARG A 121 4.841 11.497 11.677 1.00 0.00 C ATOM 1908 NH1 ARG A 121 5.129 10.671 12.673 1.00 0.00 N ATOM 1909 NH2 ARG A 121 5.233 12.763 11.736 1.00 0.00 N ATOM 0 H ARG A 121 0.727 8.540 7.787 1.00 0.00 H new ATOM 0 HA ARG A 121 3.355 8.172 6.704 1.00 0.00 H new ATOM 0 HB2 ARG A 121 2.166 7.507 9.426 1.00 0.00 H new ATOM 0 HB3 ARG A 121 3.877 7.508 9.044 1.00 0.00 H new ATOM 0 HG2 ARG A 121 3.538 9.987 8.357 1.00 0.00 H new ATOM 0 HG3 ARG A 121 1.994 9.876 9.178 1.00 0.00 H new ATOM 0 HD2 ARG A 121 3.004 9.449 11.288 1.00 0.00 H new ATOM 0 HD3 ARG A 121 4.538 9.003 10.568 1.00 0.00 H new ATOM 0 HE ARG A 121 3.955 11.721 9.873 1.00 0.00 H new ATOM 0 HH11 ARG A 121 4.829 9.697 12.631 1.00 0.00 H new ATOM 0 HH12 ARG A 121 5.651 11.009 13.481 1.00 0.00 H new ATOM 0 HH21 ARG A 121 5.013 13.401 10.972 1.00 0.00 H new ATOM 0 HH22 ARG A 121 5.755 13.098 12.546 1.00 0.00 H new ATOM 1923 N ASP A 122 3.781 5.674 6.739 1.00 0.00 N ATOM 1924 CA ASP A 122 3.927 4.249 6.462 1.00 0.00 C ATOM 1925 C ASP A 122 3.242 3.413 7.539 1.00 0.00 C ATOM 1926 O ASP A 122 3.497 3.587 8.729 1.00 0.00 O ATOM 1927 CB ASP A 122 5.407 3.875 6.372 1.00 0.00 C ATOM 1928 CG ASP A 122 5.649 2.402 6.638 1.00 0.00 C ATOM 1929 OD1 ASP A 122 5.129 1.567 5.869 1.00 0.00 O ATOM 1930 OD2 ASP A 122 6.359 2.085 7.615 1.00 0.00 O ATOM 0 H ASP A 122 4.645 6.210 6.659 1.00 0.00 H new ATOM 0 HA ASP A 122 3.448 4.038 5.506 1.00 0.00 H new ATOM 0 HB2 ASP A 122 5.783 4.129 5.381 1.00 0.00 H new ATOM 0 HB3 ASP A 122 5.973 4.469 7.090 1.00 0.00 H new ATOM 1935 N GLY A 123 2.370 2.506 7.110 1.00 0.00 N ATOM 1936 CA GLY A 123 1.661 1.657 8.050 1.00 0.00 C ATOM 1937 C GLY A 123 0.446 2.340 8.646 1.00 0.00 C ATOM 1938 O GLY A 123 0.128 2.142 9.818 1.00 0.00 O ATOM 0 H GLY A 123 2.142 2.344 6.129 1.00 0.00 H new ATOM 0 HA2 GLY A 123 1.349 0.743 7.545 1.00 0.00 H new ATOM 0 HA3 GLY A 123 2.338 1.363 8.852 1.00 0.00 H new ATOM 1942 N GLN A 124 -0.233 3.146 7.836 1.00 0.00 N ATOM 1943 CA GLN A 124 -1.419 3.863 8.292 1.00 0.00 C ATOM 1944 C GLN A 124 -2.677 3.311 7.628 1.00 0.00 C ATOM 1945 O GLN A 124 -2.722 3.138 6.411 1.00 0.00 O ATOM 1946 CB GLN A 124 -1.284 5.357 7.993 1.00 0.00 C ATOM 1947 CG GLN A 124 -2.510 6.168 8.381 1.00 0.00 C ATOM 1948 CD GLN A 124 -3.051 5.791 9.746 1.00 0.00 C ATOM 1949 OE1 GLN A 124 -4.236 5.494 9.896 1.00 0.00 O ATOM 1950 NE2 GLN A 124 -2.183 5.801 10.751 1.00 0.00 N ATOM 0 H GLN A 124 0.017 3.319 6.862 1.00 0.00 H new ATOM 0 HA GLN A 124 -1.507 3.722 9.369 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -0.417 5.749 8.524 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -1.092 5.490 6.928 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -2.256 7.228 8.375 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -3.289 6.022 7.633 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -1.209 6.054 10.582 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -2.490 5.556 11.692 1.00 0.00 H new ATOM 1959 N GLU A 125 -3.695 3.036 8.437 1.00 0.00 N ATOM 1960 CA GLU A 125 -4.953 2.502 7.928 1.00 0.00 C ATOM 1961 C GLU A 125 -5.657 3.524 7.040 1.00 0.00 C ATOM 1962 O GLU A 125 -5.606 4.728 7.298 1.00 0.00 O ATOM 1963 CB GLU A 125 -5.868 2.099 9.086 1.00 0.00 C ATOM 1964 CG GLU A 125 -6.873 1.020 8.719 1.00 0.00 C ATOM 1965 CD GLU A 125 -6.332 -0.380 8.937 1.00 0.00 C ATOM 1966 OE1 GLU A 125 -5.570 -0.576 9.907 1.00 0.00 O ATOM 1967 OE2 GLU A 125 -6.670 -1.278 8.138 1.00 0.00 O ATOM 0 H GLU A 125 -3.673 3.174 9.447 1.00 0.00 H new ATOM 0 HA GLU A 125 -4.728 1.619 7.329 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -5.256 1.747 9.916 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -6.405 2.980 9.437 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -7.777 1.153 9.314 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -7.160 1.136 7.674 1.00 0.00 H new ATOM 1974 N LEU A 126 -6.314 3.037 5.994 1.00 0.00 N ATOM 1975 CA LEU A 126 -7.030 3.907 5.067 1.00 0.00 C ATOM 1976 C LEU A 126 -8.465 3.428 4.868 1.00 0.00 C ATOM 1977 O LEU A 126 -8.698 2.295 4.449 1.00 0.00 O ATOM 1978 CB LEU A 126 -6.306 3.955 3.720 1.00 0.00 C ATOM 1979 CG LEU A 126 -6.829 4.980 2.713 1.00 0.00 C ATOM 1980 CD1 LEU A 126 -6.316 6.371 3.053 1.00 0.00 C ATOM 1981 CD2 LEU A 126 -6.426 4.592 1.298 1.00 0.00 C ATOM 0 H LEU A 126 -6.366 2.044 5.766 1.00 0.00 H new ATOM 0 HA LEU A 126 -7.057 4.909 5.495 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -5.252 4.162 3.904 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -6.362 2.966 3.264 1.00 0.00 H new ATOM 0 HG LEU A 126 -7.918 4.992 2.768 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -6.698 7.088 2.326 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -6.655 6.650 4.050 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -5.226 6.373 3.027 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -6.807 5.333 0.595 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -5.339 4.550 1.228 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -6.843 3.614 1.056 1.00 0.00 H new ATOM 1993 N GLU A 127 -9.421 4.301 5.171 1.00 0.00 N ATOM 1994 CA GLU A 127 -10.833 3.967 5.024 1.00 0.00 C ATOM 1995 C GLU A 127 -11.090 3.265 3.694 1.00 0.00 C ATOM 1996 O GLU A 127 -10.546 3.633 2.653 1.00 0.00 O ATOM 1997 CB GLU A 127 -11.691 5.229 5.121 1.00 0.00 C ATOM 1998 CG GLU A 127 -13.161 4.947 5.382 1.00 0.00 C ATOM 1999 CD GLU A 127 -14.004 6.208 5.397 1.00 0.00 C ATOM 2000 OE1 GLU A 127 -13.827 7.051 4.493 1.00 0.00 O ATOM 2001 OE2 GLU A 127 -14.840 6.351 6.313 1.00 0.00 O ATOM 0 H GLU A 127 -9.244 5.243 5.519 1.00 0.00 H new ATOM 0 HA GLU A 127 -11.106 3.288 5.832 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -11.304 5.861 5.920 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -11.597 5.794 4.194 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -13.539 4.271 4.615 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -13.264 4.434 6.338 1.00 0.00 H new ATOM 2008 N PRO A 128 -11.940 2.227 3.727 1.00 0.00 N ATOM 2009 CA PRO A 128 -12.290 1.451 2.534 1.00 0.00 C ATOM 2010 C PRO A 128 -13.146 2.247 1.555 1.00 0.00 C ATOM 2011 O PRO A 128 -13.489 1.760 0.478 1.00 0.00 O ATOM 2012 CB PRO A 128 -13.081 0.269 3.098 1.00 0.00 C ATOM 2013 CG PRO A 128 -13.642 0.769 4.385 1.00 0.00 C ATOM 2014 CD PRO A 128 -12.625 1.732 4.933 1.00 0.00 C ATOM 0 HA PRO A 128 -11.407 1.158 1.966 1.00 0.00 H new ATOM 0 HB2 PRO A 128 -13.872 -0.040 2.415 1.00 0.00 H new ATOM 0 HB3 PRO A 128 -12.439 -0.598 3.256 1.00 0.00 H new ATOM 0 HG2 PRO A 128 -14.601 1.262 4.227 1.00 0.00 H new ATOM 0 HG3 PRO A 128 -13.816 -0.052 5.080 1.00 0.00 H new ATOM 0 HD2 PRO A 128 -13.097 2.542 5.488 1.00 0.00 H new ATOM 0 HD3 PRO A 128 -11.932 1.240 5.615 1.00 0.00 H new ATOM 2022 N GLN A 129 -13.488 3.474 1.937 1.00 0.00 N ATOM 2023 CA GLN A 129 -14.305 4.337 1.092 1.00 0.00 C ATOM 2024 C GLN A 129 -13.433 5.156 0.146 1.00 0.00 C ATOM 2025 O GLN A 129 -13.709 5.242 -1.051 1.00 0.00 O ATOM 2026 CB GLN A 129 -15.159 5.269 1.953 1.00 0.00 C ATOM 2027 CG GLN A 129 -16.485 5.644 1.312 1.00 0.00 C ATOM 2028 CD GLN A 129 -16.392 6.902 0.470 1.00 0.00 C ATOM 2029 OE1 GLN A 129 -16.439 6.845 -0.759 1.00 0.00 O ATOM 2030 NE2 GLN A 129 -16.257 8.047 1.129 1.00 0.00 N ATOM 0 H GLN A 129 -13.212 3.892 2.825 1.00 0.00 H new ATOM 0 HA GLN A 129 -14.961 3.703 0.495 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -15.352 4.789 2.912 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -14.595 6.178 2.159 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -16.829 4.819 0.688 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -17.233 5.788 2.092 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -16.223 8.048 2.148 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -16.188 8.926 0.616 1.00 0.00 H new ATOM 2039 N VAL A 130 -12.379 5.756 0.690 1.00 0.00 N ATOM 2040 CA VAL A 130 -11.466 6.567 -0.105 1.00 0.00 C ATOM 2041 C VAL A 130 -10.382 5.708 -0.746 1.00 0.00 C ATOM 2042 O VAL A 130 -9.830 6.060 -1.787 1.00 0.00 O ATOM 2043 CB VAL A 130 -10.800 7.662 0.748 1.00 0.00 C ATOM 2044 CG1 VAL A 130 -11.850 8.468 1.498 1.00 0.00 C ATOM 2045 CG2 VAL A 130 -9.797 7.048 1.714 1.00 0.00 C ATOM 0 H VAL A 130 -12.137 5.695 1.679 1.00 0.00 H new ATOM 0 HA VAL A 130 -12.062 7.038 -0.887 1.00 0.00 H new ATOM 0 HB VAL A 130 -10.263 8.339 0.084 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -11.360 9.237 2.095 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -12.526 8.939 0.784 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -12.417 7.807 2.153 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -9.336 7.836 2.309 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -10.309 6.348 2.374 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -9.027 6.520 1.152 1.00 0.00 H new ATOM 2055 N GLY A 131 -10.083 4.576 -0.115 1.00 0.00 N ATOM 2056 CA GLY A 131 -9.066 3.682 -0.638 1.00 0.00 C ATOM 2057 C GLY A 131 -9.515 2.966 -1.897 1.00 0.00 C ATOM 2058 O GLY A 131 -8.691 2.574 -2.722 1.00 0.00 O ATOM 0 H GLY A 131 -10.527 4.262 0.748 1.00 0.00 H new ATOM 0 HA2 GLY A 131 -8.161 4.251 -0.851 1.00 0.00 H new ATOM 0 HA3 GLY A 131 -8.808 2.945 0.123 1.00 0.00 H new ATOM 2062 N GLU A 132 -10.825 2.795 -2.043 1.00 0.00 N ATOM 2063 CA GLU A 132 -11.381 2.118 -3.209 1.00 0.00 C ATOM 2064 C GLU A 132 -11.484 3.074 -4.394 1.00 0.00 C ATOM 2065 O GLU A 132 -11.135 2.721 -5.520 1.00 0.00 O ATOM 2066 CB GLU A 132 -12.760 1.542 -2.883 1.00 0.00 C ATOM 2067 CG GLU A 132 -13.869 2.581 -2.882 1.00 0.00 C ATOM 2068 CD GLU A 132 -15.234 1.976 -2.618 1.00 0.00 C ATOM 2069 OE1 GLU A 132 -15.576 1.778 -1.433 1.00 0.00 O ATOM 2070 OE2 GLU A 132 -15.961 1.701 -3.595 1.00 0.00 O ATOM 0 H GLU A 132 -11.521 3.115 -1.369 1.00 0.00 H new ATOM 0 HA GLU A 132 -10.710 1.303 -3.479 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -13.001 0.766 -3.609 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -12.722 1.062 -1.905 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -13.656 3.334 -2.123 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -13.883 3.094 -3.844 1.00 0.00 H new ATOM 2077 N GLN A 133 -11.966 4.284 -4.131 1.00 0.00 N ATOM 2078 CA GLN A 133 -12.117 5.290 -5.175 1.00 0.00 C ATOM 2079 C GLN A 133 -10.761 5.854 -5.588 1.00 0.00 C ATOM 2080 O GLN A 133 -10.643 6.532 -6.609 1.00 0.00 O ATOM 2081 CB GLN A 133 -13.028 6.421 -4.696 1.00 0.00 C ATOM 2082 CG GLN A 133 -12.543 7.096 -3.423 1.00 0.00 C ATOM 2083 CD GLN A 133 -13.659 7.794 -2.671 1.00 0.00 C ATOM 2084 OE1 GLN A 133 -14.839 7.529 -2.901 1.00 0.00 O ATOM 2085 NE2 GLN A 133 -13.291 8.691 -1.764 1.00 0.00 N ATOM 0 H GLN A 133 -12.259 4.592 -3.204 1.00 0.00 H new ATOM 0 HA GLN A 133 -12.571 4.811 -6.043 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -13.110 7.169 -5.485 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -14.029 6.023 -4.528 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -12.083 6.351 -2.774 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -11.769 7.822 -3.673 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -12.301 8.880 -1.606 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -13.998 9.191 -1.226 1.00 0.00 H new ATOM 2094 N LEU A 134 -9.740 5.570 -4.787 1.00 0.00 N ATOM 2095 CA LEU A 134 -8.391 6.049 -5.068 1.00 0.00 C ATOM 2096 C LEU A 134 -7.721 5.194 -6.139 1.00 0.00 C ATOM 2097 O LEU A 134 -6.982 5.703 -6.983 1.00 0.00 O ATOM 2098 CB LEU A 134 -7.548 6.040 -3.792 1.00 0.00 C ATOM 2099 CG LEU A 134 -6.037 6.178 -3.983 1.00 0.00 C ATOM 2100 CD1 LEU A 134 -5.659 7.633 -4.212 1.00 0.00 C ATOM 2101 CD2 LEU A 134 -5.294 5.614 -2.782 1.00 0.00 C ATOM 0 H LEU A 134 -9.820 5.011 -3.938 1.00 0.00 H new ATOM 0 HA LEU A 134 -8.466 7.071 -5.439 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -7.888 6.853 -3.150 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -7.743 5.110 -3.259 1.00 0.00 H new ATOM 0 HG LEU A 134 -5.748 5.606 -4.865 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -4.580 7.712 -4.346 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -6.163 8.004 -5.104 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -5.962 8.228 -3.350 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -4.220 5.721 -2.936 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -5.588 6.158 -1.884 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -5.541 4.559 -2.664 1.00 0.00 H new ATOM 2113 N LEU A 135 -7.986 3.893 -6.101 1.00 0.00 N ATOM 2114 CA LEU A 135 -7.411 2.966 -7.070 1.00 0.00 C ATOM 2115 C LEU A 135 -8.037 3.161 -8.447 1.00 0.00 C ATOM 2116 O LEU A 135 -7.336 3.187 -9.459 1.00 0.00 O ATOM 2117 CB LEU A 135 -7.613 1.522 -6.605 1.00 0.00 C ATOM 2118 CG LEU A 135 -7.064 1.180 -5.220 1.00 0.00 C ATOM 2119 CD1 LEU A 135 -7.204 -0.309 -4.943 1.00 0.00 C ATOM 2120 CD2 LEU A 135 -5.610 1.612 -5.100 1.00 0.00 C ATOM 0 H LEU A 135 -8.595 3.456 -5.410 1.00 0.00 H new ATOM 0 HA LEU A 135 -6.343 3.172 -7.144 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -8.681 1.305 -6.614 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -7.146 0.858 -7.333 1.00 0.00 H new ATOM 0 HG LEU A 135 -7.646 1.724 -4.476 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -6.808 -0.534 -3.953 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -8.256 -0.590 -4.985 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -6.648 -0.872 -5.692 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -5.236 1.360 -4.107 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -5.014 1.097 -5.853 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -5.537 2.689 -5.253 1.00 0.00 H new ATOM 2132 N GLN A 136 -9.358 3.300 -8.477 1.00 0.00 N ATOM 2133 CA GLN A 136 -10.077 3.495 -9.731 1.00 0.00 C ATOM 2134 C GLN A 136 -9.349 4.492 -10.626 1.00 0.00 C ATOM 2135 O GLN A 136 -9.472 4.448 -11.851 1.00 0.00 O ATOM 2136 CB GLN A 136 -11.501 3.982 -9.457 1.00 0.00 C ATOM 2137 CG GLN A 136 -12.522 2.859 -9.375 1.00 0.00 C ATOM 2138 CD GLN A 136 -12.561 2.012 -10.631 1.00 0.00 C ATOM 2139 OE1 GLN A 136 -12.834 0.812 -10.577 1.00 0.00 O ATOM 2140 NE2 GLN A 136 -12.288 2.633 -11.773 1.00 0.00 N ATOM 0 H GLN A 136 -9.952 3.281 -7.648 1.00 0.00 H new ATOM 0 HA GLN A 136 -10.122 2.536 -10.248 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -11.511 4.541 -8.521 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -11.797 4.675 -10.245 1.00 0.00 H new ATOM 0 HG2 GLN A 136 -12.290 2.224 -8.520 1.00 0.00 H new ATOM 0 HG3 GLN A 136 -13.510 3.284 -9.197 1.00 0.00 H new ATOM 0 HE21 GLN A 136 -12.067 3.629 -11.772 1.00 0.00 H new ATOM 0 HE22 GLN A 136 -12.299 2.114 -12.651 1.00 0.00 H new ATOM 2149 N LEU A 137 -8.592 5.392 -10.008 1.00 0.00 N ATOM 2150 CA LEU A 137 -7.844 6.402 -10.749 1.00 0.00 C ATOM 2151 C LEU A 137 -6.849 5.751 -11.704 1.00 0.00 C ATOM 2152 O LEU A 137 -6.699 6.180 -12.848 1.00 0.00 O ATOM 2153 CB LEU A 137 -7.109 7.331 -9.782 1.00 0.00 C ATOM 2154 CG LEU A 137 -7.951 7.932 -8.656 1.00 0.00 C ATOM 2155 CD1 LEU A 137 -7.119 8.895 -7.823 1.00 0.00 C ATOM 2156 CD2 LEU A 137 -9.175 8.635 -9.224 1.00 0.00 C ATOM 0 H LEU A 137 -8.480 5.443 -8.995 1.00 0.00 H new ATOM 0 HA LEU A 137 -8.553 6.986 -11.336 1.00 0.00 H new ATOM 0 HB2 LEU A 137 -6.283 6.777 -9.335 1.00 0.00 H new ATOM 0 HB3 LEU A 137 -6.671 8.147 -10.356 1.00 0.00 H new ATOM 0 HG LEU A 137 -8.289 7.123 -8.008 1.00 0.00 H new ATOM 0 HD11 LEU A 137 -7.735 9.313 -7.027 1.00 0.00 H new ATOM 0 HD12 LEU A 137 -6.274 8.362 -7.387 1.00 0.00 H new ATOM 0 HD13 LEU A 137 -6.751 9.701 -8.458 1.00 0.00 H new ATOM 0 HD21 LEU A 137 -9.763 9.057 -8.409 1.00 0.00 H new ATOM 0 HD22 LEU A 137 -8.857 9.434 -9.894 1.00 0.00 H new ATOM 0 HD23 LEU A 137 -9.783 7.918 -9.777 1.00 0.00 H new ATOM 2168 N TRP A 138 -6.173 4.712 -11.226 1.00 0.00 N ATOM 2169 CA TRP A 138 -5.193 4.000 -12.039 1.00 0.00 C ATOM 2170 C TRP A 138 -5.807 3.544 -13.358 1.00 0.00 C ATOM 2171 O TRP A 138 -5.144 3.545 -14.394 1.00 0.00 O ATOM 2172 CB TRP A 138 -4.644 2.795 -11.273 1.00 0.00 C ATOM 2173 CG TRP A 138 -3.396 3.099 -10.502 1.00 0.00 C ATOM 2174 CD1 TRP A 138 -2.111 2.842 -10.888 1.00 0.00 C ATOM 2175 CD2 TRP A 138 -3.313 3.715 -9.213 1.00 0.00 C ATOM 2176 NE1 TRP A 138 -1.235 3.261 -9.916 1.00 0.00 N ATOM 2177 CE2 TRP A 138 -1.947 3.801 -8.879 1.00 0.00 C ATOM 2178 CE3 TRP A 138 -4.260 4.204 -8.309 1.00 0.00 C ATOM 2179 CZ2 TRP A 138 -1.508 4.356 -7.679 1.00 0.00 C ATOM 2180 CZ3 TRP A 138 -3.823 4.754 -7.119 1.00 0.00 C ATOM 2181 CH2 TRP A 138 -2.457 4.827 -6.813 1.00 0.00 C ATOM 0 H TRP A 138 -6.285 4.344 -10.281 1.00 0.00 H new ATOM 0 HA TRP A 138 -4.374 4.685 -12.260 1.00 0.00 H new ATOM 0 HB2 TRP A 138 -5.408 2.432 -10.585 1.00 0.00 H new ATOM 0 HB3 TRP A 138 -4.440 1.988 -11.977 1.00 0.00 H new ATOM 0 HD1 TRP A 138 -1.826 2.378 -11.820 1.00 0.00 H new ATOM 0 HE1 TRP A 138 -0.219 3.182 -9.960 1.00 0.00 H new ATOM 0 HE3 TRP A 138 -5.315 4.153 -8.536 1.00 0.00 H new ATOM 0 HZ2 TRP A 138 -0.456 4.413 -7.441 1.00 0.00 H new ATOM 0 HZ3 TRP A 138 -4.546 5.134 -6.413 1.00 0.00 H new ATOM 0 HH2 TRP A 138 -2.147 5.264 -5.875 1.00 0.00 H new ATOM 2192 N GLU A 139 -7.077 3.154 -13.310 1.00 0.00 N ATOM 2193 CA GLU A 139 -7.779 2.695 -14.503 1.00 0.00 C ATOM 2194 C GLU A 139 -7.891 3.815 -15.534 1.00 0.00 C ATOM 2195 O GLU A 139 -7.844 3.570 -16.739 1.00 0.00 O ATOM 2196 CB GLU A 139 -9.174 2.184 -14.136 1.00 0.00 C ATOM 2197 CG GLU A 139 -9.171 0.793 -13.524 1.00 0.00 C ATOM 2198 CD GLU A 139 -9.319 -0.302 -14.563 1.00 0.00 C ATOM 2199 OE1 GLU A 139 -8.385 -0.480 -15.372 1.00 0.00 O ATOM 2200 OE2 GLU A 139 -10.367 -0.980 -14.566 1.00 0.00 O ATOM 0 H GLU A 139 -7.640 3.147 -12.459 1.00 0.00 H new ATOM 0 HA GLU A 139 -7.204 1.879 -14.940 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -9.634 2.880 -13.434 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -9.796 2.177 -15.031 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -8.242 0.644 -12.974 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -9.984 0.716 -12.802 1.00 0.00 H new ATOM 2207 N ARG A 140 -8.039 5.043 -15.050 1.00 0.00 N ATOM 2208 CA ARG A 140 -8.160 6.201 -15.928 1.00 0.00 C ATOM 2209 C ARG A 140 -6.846 6.470 -16.656 1.00 0.00 C ATOM 2210 O ARG A 140 -6.838 6.992 -17.772 1.00 0.00 O ATOM 2211 CB ARG A 140 -8.573 7.436 -15.126 1.00 0.00 C ATOM 2212 CG ARG A 140 -9.834 7.234 -14.302 1.00 0.00 C ATOM 2213 CD ARG A 140 -10.573 8.544 -14.084 1.00 0.00 C ATOM 2214 NE ARG A 140 -11.316 8.957 -15.272 1.00 0.00 N ATOM 2215 CZ ARG A 140 -12.261 9.891 -15.260 1.00 0.00 C ATOM 2216 NH1 ARG A 140 -12.577 10.505 -14.129 1.00 0.00 N ATOM 2217 NH2 ARG A 140 -12.892 10.212 -16.382 1.00 0.00 N ATOM 0 H ARG A 140 -8.078 5.262 -14.055 1.00 0.00 H new ATOM 0 HA ARG A 140 -8.929 5.984 -16.669 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -7.756 7.717 -14.461 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -8.727 8.269 -15.812 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -10.490 6.525 -14.807 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -9.574 6.797 -13.338 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -11.261 8.437 -13.245 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -9.859 9.322 -13.814 1.00 0.00 H new ATOM 0 HE ARG A 140 -11.097 8.504 -16.159 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -12.094 10.261 -13.264 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -13.303 11.222 -14.123 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -12.652 9.742 -17.255 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -13.617 10.929 -16.372 1.00 0.00 H new ATOM 2231 N LEU A 141 -5.738 6.111 -16.018 1.00 0.00 N ATOM 2232 CA LEU A 141 -4.417 6.313 -16.604 1.00 0.00 C ATOM 2233 C LEU A 141 -4.234 5.447 -17.846 1.00 0.00 C ATOM 2234 O LEU A 141 -3.179 5.467 -18.479 1.00 0.00 O ATOM 2235 CB LEU A 141 -3.328 5.993 -15.579 1.00 0.00 C ATOM 2236 CG LEU A 141 -3.564 6.518 -14.163 1.00 0.00 C ATOM 2237 CD1 LEU A 141 -2.410 6.131 -13.250 1.00 0.00 C ATOM 2238 CD2 LEU A 141 -3.750 8.028 -14.178 1.00 0.00 C ATOM 0 H LEU A 141 -5.728 5.678 -15.094 1.00 0.00 H new ATOM 0 HA LEU A 141 -4.333 7.359 -16.898 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -3.211 4.910 -15.529 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -2.384 6.399 -15.943 1.00 0.00 H new ATOM 0 HG LEU A 141 -4.476 6.063 -13.775 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -2.596 6.514 -12.246 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -2.323 5.045 -13.214 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -1.483 6.557 -13.635 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -3.917 8.384 -13.161 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -2.857 8.501 -14.586 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -4.610 8.283 -14.797 1.00 0.00 H new TER 2250 LEU A 141