USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 935 hydrogens (29 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 NoAdj-H: B 6 PTR HN2 : B 6 PTR N : B 5 VAL C :(H bumps) USER MOD NoAdj-H: B 10 PTR HN2 : B 10 PTR N : B 9 PRO C :(H bumps) USER MOD NoAdj-H: B 10 PTR H : B 10 PTR N : B 9 PRO C :(H bumps) USER MOD NoAdj-H: B 14 GMA HE2 : B 14 GMA OE2 : B 14 GMA CD :(short bond) USER MOD NoAdj-H: B 14 GMA H2 : B 14 GMA N : B 13 PRO C :(H bumps) USER MOD NoAdj-H: B 14 GMA H : B 14 GMA N : B 13 PRO C :(H bumps) USER MOD Set 1.1: A 82 SER OG : rot -79:sc= 1.57 USER MOD Set 1.2: A 86 LYS NZ :NH3+ -149:sc= 1.64! (180deg=-1.19!) USER MOD Set 2.1: A 65 GLN : amide:sc= 1.29 K(o=2.1,f=0.81) USER MOD Set 2.2: A 66 THR OG1 : rot -28:sc= 0.776! USER MOD Set 3.1: A 54 LYS NZ :NH3+ 166:sc= 2.98 (180deg=1.62) USER MOD Set 3.2: A 90 TYR OH : rot 126:sc= 1.66 USER MOD Set 4.1: A 23 HIS : no HE2:sc= 1.11 K(o=1.1,f=-3.3!) USER MOD Set 4.2: A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -111:sc= 0.657 (180deg=-1.21!) USER MOD Single : A 2 SER OG : rot 180:sc= 0.208 USER MOD Single : A 6 HIS : no HD1:sc= -0.0615 X(o=-0.061,f=-0.55) USER MOD Single : A 8 SER OG : rot 120:sc= -0.965! USER MOD Single : A 9 LYS NZ :NH3+ -139:sc= 1.09! (180deg=-2.12!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HE2:sc= -4.34! C(o=-4.3!,f=-14!) USER MOD Single : A 15 SER OG : rot 29:sc= 0.851 USER MOD Single : A 17 THR OG1 : rot -150:sc= -0.941 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 MET CE :methyl -130:sc= -0.906 (180deg=-4.13!) USER MOD Single : A 38 LYS NZ :NH3+ 162:sc= 1.29! (180deg=1.06!) USER MOD Single : A 40 ASN : amide:sc= -0.85 K(o=-0.85,f=-16!) USER MOD Single : A 43 ASN : amide:sc= 0.501 K(o=0.5,f=0) USER MOD Single : A 44 SER OG : rot 99:sc= 0.3 USER MOD Single : A 45 TYR OH : rot -169:sc= 0.77 USER MOD Single : A 48 SER OG : rot -100:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 164:sc= 1.14! (180deg=0.875!) USER MOD Single : A 57 HIS : no HE2:sc= -5.28! C(o=-5.3!,f=-11!) USER MOD Single : A 58 CYS SG : rot 180:sc= -0.484 USER MOD Single : A 61 GLN : amide:sc= -0.704 K(o=-0.7,f=-6.6!) USER MOD Single : A 62 GLN : amide:sc= -0.622 K(o=-0.62,f=-2.3!) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0.248 X(o=0.25,f=0) USER MOD Single : A 72 SER OG : rot 30:sc= 1.24 USER MOD Single : A 76 SER OG : rot 97:sc= 0.105 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 25:sc= 2.05 USER MOD Single : A 87 HIS : no HE2:sc= 0.23 K(o=0.23,f=-9.5!) USER MOD Single : A 92 LYS NZ :NH3+ -146:sc= 0.748 (180deg=-1.53) USER MOD Single : A 93 MET CE :methyl -151:sc= -5.31! (180deg=-9.9!) USER MOD Single : A 94 LYS NZ :NH3+ 156:sc= 0.627! (180deg=-0.127) USER MOD Single : A 97 TYR OH : rot 33:sc= 1.17 USER MOD Single : A 100 ASN : amide:sc= -0.382 K(o=-0.38,f=-1.7) USER MOD Single : A 103 ASN : amide:sc= 1.19 K(o=1.2,f=-0.22) USER MOD Single : A 104 SER OG : rot 54:sc= 1.2 USER MOD Single : A 105 SER OG : rot -80:sc= -2.5! USER MOD Single : B 3 THR OG1 : rot -69:sc= 0.855 USER MOD Single : B 8 SER OG : rot 98:sc=-0.000111 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE B 1 7.972 -2.074 -8.702 1.00 0.00 C HETATM 2 O ACE B 1 8.946 -1.947 -9.423 1.00 0.00 O HETATM 3 CH3 ACE B 1 7.306 -0.858 -8.061 1.00 0.00 C HETATM 0 H1 ACE B 1 6.269 -0.795 -8.390 1.00 0.00 H new HETATM 0 H2 ACE B 1 7.337 -0.956 -6.976 1.00 0.00 H new HETATM 0 H3 ACE B 1 7.836 0.046 -8.359 1.00 0.00 H new ATOM 7 N ASP B 2 7.455 -3.248 -8.445 1.00 0.00 N ATOM 8 CA ASP B 2 8.046 -4.489 -9.035 1.00 0.00 C ATOM 9 C ASP B 2 7.654 -4.618 -10.522 1.00 0.00 C ATOM 10 O ASP B 2 6.687 -5.276 -10.865 1.00 0.00 O ATOM 11 CB ASP B 2 7.448 -5.637 -8.202 1.00 0.00 C ATOM 12 CG ASP B 2 7.968 -5.570 -6.763 1.00 0.00 C ATOM 13 OD1 ASP B 2 9.174 -5.517 -6.593 1.00 0.00 O ATOM 14 OD2 ASP B 2 7.149 -5.575 -5.857 1.00 0.00 O ATOM 0 H ASP B 2 6.643 -3.402 -7.847 1.00 0.00 H new ATOM 0 HA ASP B 2 9.136 -4.489 -9.006 1.00 0.00 H new ATOM 0 HB2 ASP B 2 6.360 -5.572 -8.207 1.00 0.00 H new ATOM 0 HB3 ASP B 2 7.712 -6.596 -8.648 1.00 0.00 H new ATOM 19 N THR B 3 8.406 -3.988 -11.401 1.00 0.00 N ATOM 20 CA THR B 3 8.115 -4.035 -12.887 1.00 0.00 C ATOM 21 C THR B 3 6.752 -3.391 -13.205 1.00 0.00 C ATOM 22 O THR B 3 6.187 -2.680 -12.398 1.00 0.00 O ATOM 23 CB THR B 3 8.135 -5.523 -13.323 1.00 0.00 C ATOM 24 OG1 THR B 3 6.873 -6.129 -13.069 1.00 0.00 O ATOM 25 CG2 THR B 3 9.235 -6.289 -12.579 1.00 0.00 C ATOM 0 H THR B 3 9.224 -3.432 -11.152 1.00 0.00 H new ATOM 0 HA THR B 3 8.869 -3.469 -13.434 1.00 0.00 H new ATOM 0 HB THR B 3 8.341 -5.561 -14.393 1.00 0.00 H new ATOM 0 HG1 THR B 3 6.738 -6.211 -12.102 1.00 0.00 H new ATOM 0 HG21 THR B 3 9.233 -7.331 -12.899 1.00 0.00 H new ATOM 0 HG22 THR B 3 10.204 -5.843 -12.803 1.00 0.00 H new ATOM 0 HG23 THR B 3 9.051 -6.238 -11.506 1.00 0.00 H new ATOM 33 N GLU B 4 6.233 -3.620 -14.388 1.00 0.00 N ATOM 34 CA GLU B 4 4.921 -3.009 -14.772 1.00 0.00 C ATOM 35 C GLU B 4 3.851 -4.091 -15.027 1.00 0.00 C ATOM 36 O GLU B 4 2.966 -3.919 -15.847 1.00 0.00 O ATOM 37 CB GLU B 4 5.229 -2.244 -16.061 1.00 0.00 C ATOM 38 CG GLU B 4 4.992 -0.747 -15.839 1.00 0.00 C ATOM 39 CD GLU B 4 3.646 -0.343 -16.436 1.00 0.00 C ATOM 40 OE1 GLU B 4 3.613 -0.013 -17.611 1.00 0.00 O ATOM 41 OE2 GLU B 4 2.666 -0.363 -15.705 1.00 0.00 O ATOM 0 H GLU B 4 6.662 -4.205 -15.105 1.00 0.00 H new ATOM 0 HA GLU B 4 4.519 -2.371 -13.985 1.00 0.00 H new ATOM 0 HB2 GLU B 4 6.262 -2.418 -16.361 1.00 0.00 H new ATOM 0 HB3 GLU B 4 4.596 -2.607 -16.871 1.00 0.00 H new ATOM 0 HG2 GLU B 4 5.010 -0.521 -14.773 1.00 0.00 H new ATOM 0 HG3 GLU B 4 5.793 -0.170 -16.301 1.00 0.00 H new ATOM 48 N VAL B 5 3.919 -5.200 -14.334 1.00 0.00 N ATOM 49 CA VAL B 5 2.903 -6.282 -14.539 1.00 0.00 C ATOM 50 C VAL B 5 2.885 -7.228 -13.328 1.00 0.00 C ATOM 51 O VAL B 5 3.904 -7.759 -12.927 1.00 0.00 O ATOM 52 CB VAL B 5 3.339 -7.011 -15.820 1.00 0.00 C ATOM 53 CG1 VAL B 5 4.684 -7.715 -15.606 1.00 0.00 C ATOM 54 CG2 VAL B 5 2.277 -8.044 -16.204 1.00 0.00 C ATOM 0 H VAL B 5 4.633 -5.404 -13.635 1.00 0.00 H new ATOM 0 HA VAL B 5 1.891 -5.890 -14.636 1.00 0.00 H new ATOM 0 HB VAL B 5 3.450 -6.280 -16.620 1.00 0.00 H new ATOM 0 HG11 VAL B 5 4.977 -8.226 -16.523 1.00 0.00 H new ATOM 0 HG12 VAL B 5 5.443 -6.978 -15.343 1.00 0.00 H new ATOM 0 HG13 VAL B 5 4.590 -8.442 -14.800 1.00 0.00 H new ATOM 0 HG21 VAL B 5 2.585 -8.562 -17.112 1.00 0.00 H new ATOM 0 HG22 VAL B 5 2.163 -8.766 -15.396 1.00 0.00 H new ATOM 0 HG23 VAL B 5 1.326 -7.541 -16.378 1.00 0.00 H new HETATM 64 N PTR B 6 1.736 -7.426 -12.731 1.00 0.00 N HETATM 65 CA PTR B 6 1.657 -8.324 -11.534 1.00 0.00 C HETATM 66 C PTR B 6 0.258 -8.941 -11.393 1.00 0.00 C HETATM 67 O PTR B 6 -0.638 -8.670 -12.172 1.00 0.00 O HETATM 68 CB PTR B 6 1.956 -7.456 -10.295 1.00 0.00 C HETATM 69 CG PTR B 6 2.259 -6.011 -10.643 1.00 0.00 C HETATM 70 CD1 PTR B 6 3.583 -5.634 -10.881 1.00 0.00 C HETATM 71 CD2 PTR B 6 1.234 -5.047 -10.693 1.00 0.00 C HETATM 72 CE1 PTR B 6 3.895 -4.304 -11.165 1.00 0.00 C HETATM 73 CE2 PTR B 6 1.555 -3.713 -10.989 1.00 0.00 C HETATM 74 CZ PTR B 6 2.889 -3.342 -11.223 1.00 0.00 C HETATM 75 OH PTR B 6 3.236 -2.019 -11.478 1.00 0.00 O HETATM 76 P PTR B 6 2.353 -1.157 -12.433 1.00 0.00 P HETATM 77 O1P PTR B 6 3.095 0.193 -12.518 1.00 0.00 O HETATM 78 O2P PTR B 6 1.051 -0.935 -11.625 1.00 0.00 O HETATM 79 O3P PTR B 6 2.200 -1.923 -13.816 1.00 0.00 O HETATM 0 HE2 PTR B 6 0.766 -2.962 -11.037 1.00 0.00 H new HETATM 0 HE1 PTR B 6 4.931 -4.016 -11.342 1.00 0.00 H new HETATM 0 HD2 PTR B 6 0.200 -5.334 -10.503 1.00 0.00 H new HETATM 0 HD1 PTR B 6 4.375 -6.382 -10.845 1.00 0.00 H new HETATM 0 HB3 PTR B 6 1.101 -7.490 -9.620 1.00 0.00 H new HETATM 0 HB2 PTR B 6 2.804 -7.880 -9.757 1.00 0.00 H new HETATM 0 HA PTR B 6 2.371 -9.141 -11.638 1.00 0.00 H new HETATM 0 H PTR B 6 0.918 -7.295 -13.326 1.00 0.00 H new ATOM 89 N GLU B 7 0.061 -9.759 -10.385 1.00 0.00 N ATOM 90 CA GLU B 7 -1.280 -10.388 -10.174 1.00 0.00 C ATOM 91 C GLU B 7 -1.819 -10.036 -8.756 1.00 0.00 C ATOM 92 O GLU B 7 -2.153 -8.904 -8.500 1.00 0.00 O ATOM 93 CB GLU B 7 -1.024 -11.896 -10.356 1.00 0.00 C ATOM 94 CG GLU B 7 -2.307 -12.597 -10.827 1.00 0.00 C ATOM 95 CD GLU B 7 -3.340 -12.616 -9.700 1.00 0.00 C ATOM 96 OE1 GLU B 7 -3.130 -13.336 -8.738 1.00 0.00 O ATOM 97 OE2 GLU B 7 -4.323 -11.903 -9.816 1.00 0.00 O ATOM 0 H GLU B 7 0.772 -10.017 -9.700 1.00 0.00 H new ATOM 0 HA GLU B 7 -2.043 -10.034 -10.868 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -0.227 -12.052 -11.083 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -0.687 -12.332 -9.415 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -2.715 -12.080 -11.696 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -2.080 -13.616 -11.140 1.00 0.00 H new ATOM 104 N SER B 8 -1.917 -10.979 -7.838 1.00 0.00 N ATOM 105 CA SER B 8 -2.450 -10.658 -6.458 1.00 0.00 C ATOM 106 C SER B 8 -1.408 -9.877 -5.635 1.00 0.00 C ATOM 107 O SER B 8 -0.291 -10.333 -5.483 1.00 0.00 O ATOM 108 CB SER B 8 -2.720 -12.017 -5.804 1.00 0.00 C ATOM 109 OG SER B 8 -3.896 -12.592 -6.366 1.00 0.00 O ATOM 0 H SER B 8 -1.653 -11.954 -7.981 1.00 0.00 H new ATOM 0 HA SER B 8 -3.344 -10.037 -6.510 1.00 0.00 H new ATOM 0 HB2 SER B 8 -1.869 -12.681 -5.957 1.00 0.00 H new ATOM 0 HB3 SER B 8 -2.841 -11.896 -4.727 1.00 0.00 H new ATOM 0 HG SER B 8 -3.645 -13.237 -7.060 1.00 0.00 H new ATOM 115 N PRO B 9 -1.793 -8.712 -5.138 1.00 0.00 N ATOM 116 CA PRO B 9 -0.859 -7.867 -4.357 1.00 0.00 C ATOM 117 C PRO B 9 -0.879 -8.185 -2.851 1.00 0.00 C ATOM 118 O PRO B 9 -0.043 -8.922 -2.366 1.00 0.00 O ATOM 119 CB PRO B 9 -1.370 -6.453 -4.637 1.00 0.00 C ATOM 120 CG PRO B 9 -2.823 -6.604 -4.994 1.00 0.00 C ATOM 121 CD PRO B 9 -3.102 -8.071 -5.249 1.00 0.00 C ATOM 0 HA PRO B 9 0.181 -8.024 -4.642 1.00 0.00 H new ATOM 0 HB2 PRO B 9 -1.247 -5.813 -3.763 1.00 0.00 H new ATOM 0 HB3 PRO B 9 -0.813 -5.991 -5.452 1.00 0.00 H new ATOM 0 HG2 PRO B 9 -3.453 -6.233 -4.185 1.00 0.00 H new ATOM 0 HG3 PRO B 9 -3.060 -6.013 -5.879 1.00 0.00 H new ATOM 0 HD2 PRO B 9 -3.806 -8.475 -4.521 1.00 0.00 H new ATOM 0 HD3 PRO B 9 -3.539 -8.227 -6.235 1.00 0.00 H new HETATM 129 N PTR B 10 -1.791 -7.619 -2.104 1.00 0.00 N HETATM 130 CA PTR B 10 -1.816 -7.878 -0.631 1.00 0.00 C HETATM 131 C PTR B 10 -3.124 -8.571 -0.216 1.00 0.00 C HETATM 132 O PTR B 10 -3.968 -8.858 -1.044 1.00 0.00 O HETATM 133 CB PTR B 10 -1.671 -6.485 0.007 1.00 0.00 C HETATM 134 CG PTR B 10 -0.203 -6.097 0.041 1.00 0.00 C HETATM 135 CD1 PTR B 10 0.520 -6.194 1.237 1.00 0.00 C HETATM 136 CD2 PTR B 10 0.437 -5.646 -1.123 1.00 0.00 C HETATM 137 CE1 PTR B 10 1.876 -5.840 1.269 1.00 0.00 C HETATM 138 CE2 PTR B 10 1.790 -5.295 -1.091 1.00 0.00 C HETATM 139 CZ PTR B 10 2.515 -5.391 0.102 1.00 0.00 C HETATM 140 OH PTR B 10 3.857 -5.023 0.115 1.00 0.00 O HETATM 141 P PTR B 10 4.908 -5.884 0.899 1.00 0.00 P HETATM 142 O1P PTR B 10 4.544 -7.344 0.567 1.00 0.00 O HETATM 143 O2P PTR B 10 4.587 -5.645 2.395 1.00 0.00 O HETATM 144 O3P PTR B 10 6.353 -5.408 0.448 1.00 0.00 O HETATM 0 HE2 PTR B 10 2.282 -4.945 -1.999 1.00 0.00 H new HETATM 0 HE1 PTR B 10 2.435 -5.913 2.202 1.00 0.00 H new HETATM 0 HD2 PTR B 10 -0.122 -5.569 -2.055 1.00 0.00 H new HETATM 0 HD1 PTR B 10 0.028 -6.545 2.144 1.00 0.00 H new HETATM 0 HB3 PTR B 10 -2.240 -5.751 -0.563 1.00 0.00 H new HETATM 0 HB2 PTR B 10 -2.081 -6.491 1.017 1.00 0.00 H new HETATM 0 HA PTR B 10 -1.022 -8.551 -0.309 1.00 0.00 H new ATOM 154 N ALA B 11 -3.289 -8.842 1.064 1.00 0.00 N ATOM 155 CA ALA B 11 -4.538 -9.523 1.566 1.00 0.00 C ATOM 156 C ALA B 11 -4.342 -10.003 3.013 1.00 0.00 C ATOM 157 O ALA B 11 -5.097 -9.652 3.900 1.00 0.00 O ATOM 158 CB ALA B 11 -4.762 -10.732 0.647 1.00 0.00 C ATOM 0 H ALA B 11 -2.607 -8.619 1.789 1.00 0.00 H new ATOM 0 HA ALA B 11 -5.389 -8.842 1.556 1.00 0.00 H new ATOM 0 HB1 ALA B 11 -5.657 -11.268 0.962 1.00 0.00 H new ATOM 0 HB2 ALA B 11 -4.887 -10.390 -0.380 1.00 0.00 H new ATOM 0 HB3 ALA B 11 -3.901 -11.398 0.705 1.00 0.00 H new ATOM 164 N ASP B 12 -3.340 -10.814 3.242 1.00 0.00 N ATOM 165 CA ASP B 12 -3.074 -11.352 4.616 1.00 0.00 C ATOM 166 C ASP B 12 -2.729 -10.219 5.603 1.00 0.00 C ATOM 167 O ASP B 12 -1.950 -9.337 5.282 1.00 0.00 O ATOM 168 CB ASP B 12 -1.870 -12.290 4.441 1.00 0.00 C ATOM 169 CG ASP B 12 -2.151 -13.305 3.332 1.00 0.00 C ATOM 170 OD1 ASP B 12 -1.965 -12.956 2.175 1.00 0.00 O ATOM 171 OD2 ASP B 12 -2.546 -14.410 3.657 1.00 0.00 O ATOM 0 H ASP B 12 -2.685 -11.132 2.527 1.00 0.00 H new ATOM 0 HA ASP B 12 -3.947 -11.860 5.026 1.00 0.00 H new ATOM 0 HB2 ASP B 12 -0.980 -11.710 4.197 1.00 0.00 H new ATOM 0 HB3 ASP B 12 -1.665 -12.810 5.377 1.00 0.00 H new ATOM 176 N PRO B 13 -3.313 -10.285 6.780 1.00 0.00 N ATOM 177 CA PRO B 13 -3.043 -9.257 7.820 1.00 0.00 C ATOM 178 C PRO B 13 -1.656 -9.487 8.442 1.00 0.00 C ATOM 179 O PRO B 13 -1.377 -10.538 8.990 1.00 0.00 O ATOM 180 CB PRO B 13 -4.149 -9.485 8.848 1.00 0.00 C ATOM 181 CG PRO B 13 -4.546 -10.918 8.682 1.00 0.00 C ATOM 182 CD PRO B 13 -4.268 -11.301 7.249 1.00 0.00 C ATOM 0 HA PRO B 13 -3.039 -8.239 7.431 1.00 0.00 H new ATOM 0 HB2 PRO B 13 -3.793 -9.289 9.860 1.00 0.00 H new ATOM 0 HB3 PRO B 13 -4.994 -8.819 8.672 1.00 0.00 H new ATOM 0 HG2 PRO B 13 -3.983 -11.554 9.365 1.00 0.00 H new ATOM 0 HG3 PRO B 13 -5.602 -11.053 8.917 1.00 0.00 H new ATOM 0 HD2 PRO B 13 -3.847 -12.304 7.180 1.00 0.00 H new ATOM 0 HD3 PRO B 13 -5.180 -11.296 6.652 1.00 0.00 H new HETATM 190 N GMA B 14 -0.785 -8.517 8.356 1.00 0.00 N HETATM 191 CA GMA B 14 0.587 -8.685 8.935 1.00 0.00 C HETATM 192 C GMA B 14 0.592 -8.329 10.429 1.00 0.00 C HETATM 193 O GMA B 14 -0.297 -7.660 10.919 1.00 0.00 O HETATM 194 CB GMA B 14 1.482 -7.725 8.143 1.00 0.00 C HETATM 195 CG GMA B 14 1.296 -7.973 6.635 1.00 0.00 C HETATM 196 CD GMA B 14 2.587 -8.499 6.000 1.00 0.00 C HETATM 197 OE1 GMA B 14 3.401 -9.083 6.702 1.00 0.00 O HETATM 198 OE2 GMA B 14 2.749 -8.307 4.806 1.00 0.00 O HETATM 199 N2 GMA B 14 1.560 -8.758 11.184 1.00 0.00 N HETATM 0 HN2A GMA B 14 2.307 -9.325 10.783 1.00 0.00 H new HETATM 0 HN1 GMA B 14 1.573 -8.527 12.177 1.00 0.00 H new HETATM 0 HG3 GMA B 14 0.491 -8.691 6.478 1.00 0.00 H new HETATM 0 HG2 GMA B 14 0.997 -7.046 6.145 1.00 0.00 H new HETATM 0 HB3 GMA B 14 1.230 -6.693 8.386 1.00 0.00 H new HETATM 0 HB2 GMA B 14 2.526 -7.872 8.420 1.00 0.00 H new HETATM 0 HA GMA B 14 0.936 -9.715 8.861 1.00 0.00 H new TER 208 GMA B 14 ATOM 209 N GLY A 1 -9.081 2.306 14.126 1.00 0.00 N ATOM 210 CA GLY A 1 -10.193 1.351 14.436 1.00 0.00 C ATOM 211 C GLY A 1 -10.557 0.538 13.187 1.00 0.00 C ATOM 212 O GLY A 1 -9.754 0.380 12.290 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.217 2.006 14.622 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.906 2.315 13.101 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.346 3.261 14.440 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.892 0.680 15.241 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.066 1.900 14.789 1.00 0.00 H new ATOM 218 N SER A 2 -11.758 0.014 13.126 1.00 0.00 N ATOM 219 CA SER A 2 -12.180 -0.801 11.935 1.00 0.00 C ATOM 220 C SER A 2 -12.148 0.038 10.639 1.00 0.00 C ATOM 221 O SER A 2 -11.526 -0.365 9.669 1.00 0.00 O ATOM 222 CB SER A 2 -13.615 -1.274 12.236 1.00 0.00 C ATOM 223 OG SER A 2 -14.006 -0.857 13.547 1.00 0.00 O ATOM 0 H SER A 2 -12.469 0.114 13.851 1.00 0.00 H new ATOM 0 HA SER A 2 -11.502 -1.639 11.775 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.303 -0.866 11.496 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.672 -2.360 12.159 1.00 0.00 H new ATOM 0 HG SER A 2 -14.920 -1.161 13.728 1.00 0.00 H new ATOM 229 N PRO A 3 -12.819 1.174 10.653 1.00 0.00 N ATOM 230 CA PRO A 3 -12.865 2.058 9.447 1.00 0.00 C ATOM 231 C PRO A 3 -11.473 2.602 9.088 1.00 0.00 C ATOM 232 O PRO A 3 -10.524 2.480 9.844 1.00 0.00 O ATOM 233 CB PRO A 3 -13.804 3.190 9.873 1.00 0.00 C ATOM 234 CG PRO A 3 -13.724 3.195 11.362 1.00 0.00 C ATOM 235 CD PRO A 3 -13.581 1.756 11.768 1.00 0.00 C ATOM 0 HA PRO A 3 -13.204 1.531 8.555 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -13.490 4.146 9.455 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -14.823 3.012 9.530 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -12.874 3.785 11.706 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -14.618 3.638 11.800 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -13.052 1.654 12.715 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -14.550 1.273 11.891 1.00 0.00 H new ATOM 243 N GLY A 4 -11.340 3.196 7.933 1.00 0.00 N ATOM 244 CA GLY A 4 -10.014 3.746 7.514 1.00 0.00 C ATOM 245 C GLY A 4 -10.229 4.963 6.613 1.00 0.00 C ATOM 246 O GLY A 4 -11.171 5.707 6.791 1.00 0.00 O ATOM 0 H GLY A 4 -12.094 3.326 7.258 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.432 4.028 8.391 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.443 2.984 6.984 1.00 0.00 H new ATOM 250 N ILE A 5 -9.355 5.177 5.655 1.00 0.00 N ATOM 251 CA ILE A 5 -9.471 6.346 4.704 1.00 0.00 C ATOM 252 C ILE A 5 -9.290 7.704 5.428 1.00 0.00 C ATOM 253 O ILE A 5 -8.712 8.627 4.881 1.00 0.00 O ATOM 254 CB ILE A 5 -10.864 6.211 4.072 1.00 0.00 C ATOM 255 CG1 ILE A 5 -10.882 5.032 3.082 1.00 0.00 C ATOM 256 CG2 ILE A 5 -11.215 7.492 3.310 1.00 0.00 C ATOM 257 CD1 ILE A 5 -10.649 3.698 3.810 1.00 0.00 C ATOM 0 H ILE A 5 -8.546 4.580 5.484 1.00 0.00 H new ATOM 0 HA ILE A 5 -8.685 6.329 3.949 1.00 0.00 H new ATOM 0 HB ILE A 5 -11.590 6.038 4.866 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -11.839 5.004 2.562 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -10.112 5.177 2.325 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -12.204 7.390 2.864 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -11.212 8.337 3.998 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -10.478 7.662 2.525 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -10.666 2.882 3.088 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -9.680 3.720 4.309 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -11.435 3.545 4.550 1.00 0.00 H new ATOM 269 N HIS A 6 -9.724 7.821 6.659 1.00 0.00 N ATOM 270 CA HIS A 6 -9.526 9.087 7.424 1.00 0.00 C ATOM 271 C HIS A 6 -8.305 8.889 8.333 1.00 0.00 C ATOM 272 O HIS A 6 -7.284 9.540 8.175 1.00 0.00 O ATOM 273 CB HIS A 6 -10.820 9.264 8.234 1.00 0.00 C ATOM 274 CG HIS A 6 -10.837 10.614 8.899 1.00 0.00 C ATOM 275 ND1 HIS A 6 -10.075 10.895 10.023 1.00 0.00 N ATOM 276 CD2 HIS A 6 -11.528 11.767 8.619 1.00 0.00 C ATOM 277 CE1 HIS A 6 -10.326 12.170 10.375 1.00 0.00 C ATOM 278 NE2 HIS A 6 -11.204 12.747 9.552 1.00 0.00 N ATOM 0 H HIS A 6 -10.212 7.085 7.170 1.00 0.00 H new ATOM 0 HA HIS A 6 -9.343 9.966 6.806 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -11.685 9.163 7.578 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -10.897 8.479 8.986 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -12.219 11.894 7.798 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -9.872 12.666 11.220 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -11.561 13.701 9.597 1.00 0.00 H new ATOM 286 N GLU A 7 -8.387 7.948 9.247 1.00 0.00 N ATOM 287 CA GLU A 7 -7.222 7.648 10.138 1.00 0.00 C ATOM 288 C GLU A 7 -6.151 6.882 9.339 1.00 0.00 C ATOM 289 O GLU A 7 -4.963 7.016 9.582 1.00 0.00 O ATOM 290 CB GLU A 7 -7.785 6.788 11.287 1.00 0.00 C ATOM 291 CG GLU A 7 -8.314 5.447 10.748 1.00 0.00 C ATOM 292 CD GLU A 7 -8.671 4.519 11.911 1.00 0.00 C ATOM 293 OE1 GLU A 7 -9.592 4.836 12.646 1.00 0.00 O ATOM 294 OE2 GLU A 7 -8.021 3.497 12.048 1.00 0.00 O ATOM 0 H GLU A 7 -9.214 7.374 9.413 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.749 8.550 10.527 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.007 6.607 12.028 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.588 7.326 11.792 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -9.192 5.617 10.125 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.561 4.977 10.115 1.00 0.00 H new ATOM 301 N SER A 8 -6.559 6.098 8.366 1.00 0.00 N ATOM 302 CA SER A 8 -5.563 5.350 7.535 1.00 0.00 C ATOM 303 C SER A 8 -5.071 6.248 6.395 1.00 0.00 C ATOM 304 O SER A 8 -5.530 7.363 6.241 1.00 0.00 O ATOM 305 CB SER A 8 -6.305 4.124 6.999 1.00 0.00 C ATOM 306 OG SER A 8 -6.970 4.446 5.777 1.00 0.00 O ATOM 0 H SER A 8 -7.535 5.945 8.114 1.00 0.00 H new ATOM 0 HA SER A 8 -4.685 5.049 8.106 1.00 0.00 H new ATOM 0 HB2 SER A 8 -5.602 3.307 6.835 1.00 0.00 H new ATOM 0 HB3 SER A 8 -7.030 3.778 7.736 1.00 0.00 H new ATOM 0 HG SER A 8 -6.629 3.874 5.058 1.00 0.00 H new ATOM 312 N LYS A 9 -4.140 5.797 5.599 1.00 0.00 N ATOM 313 CA LYS A 9 -3.638 6.671 4.495 1.00 0.00 C ATOM 314 C LYS A 9 -3.275 5.842 3.250 1.00 0.00 C ATOM 315 O LYS A 9 -3.831 4.784 3.027 1.00 0.00 O ATOM 316 CB LYS A 9 -2.414 7.375 5.097 1.00 0.00 C ATOM 317 CG LYS A 9 -2.675 8.887 5.164 1.00 0.00 C ATOM 318 CD LYS A 9 -3.276 9.251 6.531 1.00 0.00 C ATOM 319 CE LYS A 9 -4.314 10.374 6.364 1.00 0.00 C ATOM 320 NZ LYS A 9 -5.653 9.700 6.345 1.00 0.00 N ATOM 0 H LYS A 9 -3.709 4.875 5.661 1.00 0.00 H new ATOM 0 HA LYS A 9 -4.386 7.384 4.150 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.211 6.986 6.095 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.531 7.174 4.491 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.745 9.433 5.008 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.356 9.184 4.366 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.745 8.374 6.977 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.487 9.571 7.211 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.249 11.090 7.183 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.143 10.929 5.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.254 10.142 5.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.531 8.691 6.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.105 9.799 7.277 1.00 0.00 H new ATOM 334 N GLU A 10 -2.370 6.332 2.423 1.00 0.00 N ATOM 335 CA GLU A 10 -1.992 5.589 1.172 1.00 0.00 C ATOM 336 C GLU A 10 -3.247 5.296 0.331 1.00 0.00 C ATOM 337 O GLU A 10 -3.366 4.273 -0.314 1.00 0.00 O ATOM 338 CB GLU A 10 -1.306 4.305 1.653 1.00 0.00 C ATOM 339 CG GLU A 10 -0.586 3.631 0.474 1.00 0.00 C ATOM 340 CD GLU A 10 -0.463 2.119 0.710 1.00 0.00 C ATOM 341 OE1 GLU A 10 -0.327 1.720 1.851 1.00 0.00 O ATOM 342 OE2 GLU A 10 -0.498 1.385 -0.262 1.00 0.00 O ATOM 0 H GLU A 10 -1.878 7.215 2.563 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.326 6.163 0.528 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.592 4.537 2.444 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.043 3.624 2.079 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.135 3.817 -0.449 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.405 4.067 0.349 1.00 0.00 H new ATOM 349 N TRP A 11 -4.188 6.207 0.345 1.00 0.00 N ATOM 350 CA TRP A 11 -5.452 6.018 -0.436 1.00 0.00 C ATOM 351 C TRP A 11 -5.285 6.412 -1.924 1.00 0.00 C ATOM 352 O TRP A 11 -6.258 6.456 -2.651 1.00 0.00 O ATOM 353 CB TRP A 11 -6.495 6.901 0.282 1.00 0.00 C ATOM 354 CG TRP A 11 -6.621 8.248 -0.366 1.00 0.00 C ATOM 355 CD1 TRP A 11 -5.605 9.116 -0.589 1.00 0.00 C ATOM 356 CD2 TRP A 11 -7.827 8.893 -0.869 1.00 0.00 C ATOM 357 NE1 TRP A 11 -6.113 10.249 -1.200 1.00 0.00 N ATOM 358 CE2 TRP A 11 -7.477 10.158 -1.393 1.00 0.00 C ATOM 359 CE3 TRP A 11 -9.178 8.504 -0.920 1.00 0.00 C ATOM 360 CZ2 TRP A 11 -8.433 11.007 -1.950 1.00 0.00 C ATOM 361 CZ3 TRP A 11 -10.143 9.357 -1.481 1.00 0.00 C ATOM 362 CH2 TRP A 11 -9.771 10.607 -1.994 1.00 0.00 C ATOM 0 H TRP A 11 -4.135 7.081 0.868 1.00 0.00 H new ATOM 0 HA TRP A 11 -5.755 4.971 -0.464 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -7.463 6.401 0.273 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -6.210 7.025 1.327 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -4.569 8.951 -0.332 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -5.549 11.053 -1.474 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -9.475 7.544 -0.525 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -8.141 11.969 -2.345 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -11.177 9.048 -1.517 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -10.517 11.260 -2.422 1.00 0.00 H new ATOM 373 N TYR A 12 -4.080 6.704 -2.379 1.00 0.00 N ATOM 374 CA TYR A 12 -3.869 7.103 -3.823 1.00 0.00 C ATOM 375 C TYR A 12 -4.273 5.968 -4.800 1.00 0.00 C ATOM 376 O TYR A 12 -3.491 5.529 -5.626 1.00 0.00 O ATOM 377 CB TYR A 12 -2.362 7.394 -3.938 1.00 0.00 C ATOM 378 CG TYR A 12 -2.134 8.823 -4.382 1.00 0.00 C ATOM 379 CD1 TYR A 12 -2.918 9.379 -5.401 1.00 0.00 C ATOM 380 CD2 TYR A 12 -1.133 9.592 -3.773 1.00 0.00 C ATOM 381 CE1 TYR A 12 -2.701 10.700 -5.812 1.00 0.00 C ATOM 382 CE2 TYR A 12 -0.918 10.914 -4.185 1.00 0.00 C ATOM 383 CZ TYR A 12 -1.703 11.469 -5.203 1.00 0.00 C ATOM 384 OH TYR A 12 -1.489 12.769 -5.613 1.00 0.00 O ATOM 0 H TYR A 12 -3.231 6.684 -1.813 1.00 0.00 H new ATOM 0 HA TYR A 12 -4.486 7.962 -4.089 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.878 7.223 -2.977 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -1.906 6.707 -4.651 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -3.691 8.788 -5.870 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -0.528 9.166 -2.987 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.305 11.126 -6.600 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -0.146 11.506 -3.717 1.00 0.00 H new ATOM 0 HH TYR A 12 -0.761 13.162 -5.087 1.00 0.00 H new ATOM 394 N HIS A 13 -5.491 5.510 -4.725 1.00 0.00 N ATOM 395 CA HIS A 13 -5.954 4.431 -5.638 1.00 0.00 C ATOM 396 C HIS A 13 -6.957 4.995 -6.661 1.00 0.00 C ATOM 397 O HIS A 13 -8.155 4.825 -6.552 1.00 0.00 O ATOM 398 CB HIS A 13 -6.572 3.353 -4.720 1.00 0.00 C ATOM 399 CG HIS A 13 -7.896 3.798 -4.141 1.00 0.00 C ATOM 400 ND1 HIS A 13 -7.998 4.769 -3.156 1.00 0.00 N ATOM 401 CD2 HIS A 13 -9.184 3.402 -4.404 1.00 0.00 C ATOM 402 CE1 HIS A 13 -9.302 4.924 -2.870 1.00 0.00 C ATOM 403 NE2 HIS A 13 -10.068 4.114 -3.602 1.00 0.00 N ATOM 0 H HIS A 13 -6.192 5.842 -4.063 1.00 0.00 H new ATOM 0 HA HIS A 13 -5.147 4.001 -6.231 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -6.714 2.432 -5.286 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -5.879 3.125 -3.910 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -7.223 5.274 -2.726 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -9.468 2.650 -5.126 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -9.683 5.620 -2.137 1.00 0.00 H new ATOM 411 N ALA A 14 -6.464 5.666 -7.670 1.00 0.00 N ATOM 412 CA ALA A 14 -7.380 6.242 -8.703 1.00 0.00 C ATOM 413 C ALA A 14 -6.596 6.687 -9.948 1.00 0.00 C ATOM 414 O ALA A 14 -6.758 6.130 -11.017 1.00 0.00 O ATOM 415 CB ALA A 14 -8.049 7.442 -8.019 1.00 0.00 C ATOM 0 H ALA A 14 -5.471 5.840 -7.824 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.111 5.511 -9.050 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -8.738 7.920 -8.715 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -8.598 7.101 -7.141 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -7.286 8.159 -7.714 1.00 0.00 H new ATOM 421 N SER A 15 -5.762 7.694 -9.828 1.00 0.00 N ATOM 422 CA SER A 15 -4.993 8.170 -11.022 1.00 0.00 C ATOM 423 C SER A 15 -3.708 8.910 -10.613 1.00 0.00 C ATOM 424 O SER A 15 -3.753 9.961 -10.002 1.00 0.00 O ATOM 425 CB SER A 15 -5.948 9.125 -11.745 1.00 0.00 C ATOM 426 OG SER A 15 -6.301 10.198 -10.873 1.00 0.00 O ATOM 0 H SER A 15 -5.582 8.203 -8.962 1.00 0.00 H new ATOM 0 HA SER A 15 -4.674 7.337 -11.648 1.00 0.00 H new ATOM 0 HB2 SER A 15 -5.475 9.516 -12.646 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.843 8.590 -12.061 1.00 0.00 H new ATOM 0 HG SER A 15 -5.571 10.359 -10.240 1.00 0.00 H new ATOM 432 N LEU A 16 -2.572 8.374 -10.977 1.00 0.00 N ATOM 433 CA LEU A 16 -1.257 9.024 -10.657 1.00 0.00 C ATOM 434 C LEU A 16 -0.164 8.353 -11.503 1.00 0.00 C ATOM 435 O LEU A 16 -0.442 7.809 -12.557 1.00 0.00 O ATOM 436 CB LEU A 16 -1.023 8.790 -9.148 1.00 0.00 C ATOM 437 CG LEU A 16 -0.556 7.343 -8.891 1.00 0.00 C ATOM 438 CD1 LEU A 16 0.782 7.335 -8.129 1.00 0.00 C ATOM 439 CD2 LEU A 16 -1.604 6.611 -8.056 1.00 0.00 C ATOM 0 H LEU A 16 -2.495 7.497 -11.492 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.243 10.091 -10.880 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.275 9.491 -8.777 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.943 8.985 -8.597 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.424 6.845 -9.852 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.096 6.306 -7.956 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.539 7.852 -8.718 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.659 7.842 -7.172 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.275 5.588 -7.874 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.734 7.125 -7.104 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.552 6.597 -8.593 1.00 0.00 H new ATOM 451 N THR A 17 1.061 8.352 -11.053 1.00 0.00 N ATOM 452 CA THR A 17 2.129 7.670 -11.842 1.00 0.00 C ATOM 453 C THR A 17 2.035 6.159 -11.620 1.00 0.00 C ATOM 454 O THR A 17 1.367 5.690 -10.718 1.00 0.00 O ATOM 455 CB THR A 17 3.467 8.190 -11.306 1.00 0.00 C ATOM 456 OG1 THR A 17 3.386 8.381 -9.898 1.00 0.00 O ATOM 457 CG2 THR A 17 3.804 9.519 -11.980 1.00 0.00 C ATOM 0 H THR A 17 1.368 8.788 -10.183 1.00 0.00 H new ATOM 0 HA THR A 17 2.029 7.869 -12.909 1.00 0.00 H new ATOM 0 HB THR A 17 4.246 7.460 -11.524 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.987 9.108 -9.631 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.756 9.889 -11.599 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.877 9.372 -13.058 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.020 10.245 -11.765 1.00 0.00 H new ATOM 465 N ARG A 18 2.702 5.401 -12.432 1.00 0.00 N ATOM 466 CA ARG A 18 2.672 3.919 -12.284 1.00 0.00 C ATOM 467 C ARG A 18 3.792 3.470 -11.330 1.00 0.00 C ATOM 468 O ARG A 18 4.090 4.130 -10.351 1.00 0.00 O ATOM 469 CB ARG A 18 2.886 3.368 -13.699 1.00 0.00 C ATOM 470 CG ARG A 18 1.871 3.986 -14.665 1.00 0.00 C ATOM 471 CD ARG A 18 2.267 3.639 -16.100 1.00 0.00 C ATOM 472 NE ARG A 18 1.781 2.243 -16.304 1.00 0.00 N ATOM 473 CZ ARG A 18 1.026 1.960 -17.312 1.00 0.00 C ATOM 474 NH1 ARG A 18 -0.164 2.461 -17.385 1.00 0.00 N ATOM 475 NH2 ARG A 18 1.460 1.167 -18.235 1.00 0.00 N ATOM 0 H ARG A 18 3.275 5.744 -13.203 1.00 0.00 H new ATOM 0 HA ARG A 18 1.736 3.557 -11.860 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.899 3.589 -14.034 1.00 0.00 H new ATOM 0 HB3 ARG A 18 2.781 2.283 -13.695 1.00 0.00 H new ATOM 0 HG2 ARG A 18 0.871 3.610 -14.450 1.00 0.00 H new ATOM 0 HG3 ARG A 18 1.839 5.068 -14.535 1.00 0.00 H new ATOM 0 HD2 ARG A 18 1.810 4.325 -16.813 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.346 3.706 -16.240 1.00 0.00 H new ATOM 0 HE ARG A 18 2.046 1.511 -15.645 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -0.504 3.078 -16.647 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -0.763 2.239 -18.180 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.396 0.767 -18.165 1.00 0.00 H new ATOM 0 HH22 ARG A 18 0.867 0.941 -19.033 1.00 0.00 H new ATOM 489 N ALA A 19 4.390 2.339 -11.606 1.00 0.00 N ATOM 490 CA ALA A 19 5.483 1.781 -10.747 1.00 0.00 C ATOM 491 C ALA A 19 6.541 2.826 -10.362 1.00 0.00 C ATOM 492 O ALA A 19 7.301 2.603 -9.454 1.00 0.00 O ATOM 493 CB ALA A 19 6.134 0.717 -11.627 1.00 0.00 C ATOM 0 H ALA A 19 4.160 1.761 -12.415 1.00 0.00 H new ATOM 0 HA ALA A 19 5.079 1.409 -9.806 1.00 0.00 H new ATOM 0 HB1 ALA A 19 6.953 0.246 -11.083 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.394 -0.038 -11.893 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.520 1.182 -12.534 1.00 0.00 H new ATOM 499 N GLN A 20 6.619 3.950 -11.027 1.00 0.00 N ATOM 500 CA GLN A 20 7.656 4.955 -10.637 1.00 0.00 C ATOM 501 C GLN A 20 7.502 5.338 -9.147 1.00 0.00 C ATOM 502 O GLN A 20 8.393 5.113 -8.348 1.00 0.00 O ATOM 503 CB GLN A 20 7.406 6.165 -11.532 1.00 0.00 C ATOM 504 CG GLN A 20 8.343 7.279 -11.087 1.00 0.00 C ATOM 505 CD GLN A 20 8.422 8.361 -12.160 1.00 0.00 C ATOM 506 OE1 GLN A 20 9.213 8.271 -13.072 1.00 0.00 O ATOM 507 NE2 GLN A 20 7.636 9.394 -12.087 1.00 0.00 N ATOM 0 H GLN A 20 6.021 4.214 -11.810 1.00 0.00 H new ATOM 0 HA GLN A 20 8.667 4.565 -10.760 1.00 0.00 H new ATOM 0 HB2 GLN A 20 7.585 5.910 -12.577 1.00 0.00 H new ATOM 0 HB3 GLN A 20 6.367 6.487 -11.456 1.00 0.00 H new ATOM 0 HG2 GLN A 20 7.988 7.710 -10.151 1.00 0.00 H new ATOM 0 HG3 GLN A 20 9.336 6.874 -10.895 1.00 0.00 H new ATOM 0 HE21 GLN A 20 6.968 9.474 -11.320 1.00 0.00 H new ATOM 0 HE22 GLN A 20 7.687 10.125 -12.797 1.00 0.00 H new ATOM 516 N ALA A 21 6.370 5.890 -8.767 1.00 0.00 N ATOM 517 CA ALA A 21 6.138 6.259 -7.328 1.00 0.00 C ATOM 518 C ALA A 21 6.197 4.993 -6.470 1.00 0.00 C ATOM 519 O ALA A 21 6.771 4.974 -5.393 1.00 0.00 O ATOM 520 CB ALA A 21 4.739 6.876 -7.317 1.00 0.00 C ATOM 0 H ALA A 21 5.594 6.102 -9.394 1.00 0.00 H new ATOM 0 HA ALA A 21 6.882 6.948 -6.927 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.482 7.177 -6.301 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.721 7.749 -7.970 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.015 6.142 -7.672 1.00 0.00 H new ATOM 526 N GLU A 22 5.632 3.933 -6.971 1.00 0.00 N ATOM 527 CA GLU A 22 5.650 2.633 -6.248 1.00 0.00 C ATOM 528 C GLU A 22 7.091 2.210 -5.962 1.00 0.00 C ATOM 529 O GLU A 22 7.448 1.869 -4.845 1.00 0.00 O ATOM 530 CB GLU A 22 4.995 1.668 -7.229 1.00 0.00 C ATOM 531 CG GLU A 22 3.998 0.790 -6.490 1.00 0.00 C ATOM 532 CD GLU A 22 2.744 1.594 -6.089 1.00 0.00 C ATOM 533 OE1 GLU A 22 2.864 2.781 -5.830 1.00 0.00 O ATOM 534 OE2 GLU A 22 1.681 1.000 -6.047 1.00 0.00 O ATOM 0 H GLU A 22 5.149 3.912 -7.869 1.00 0.00 H new ATOM 0 HA GLU A 22 5.139 2.670 -5.286 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.490 2.224 -8.019 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.754 1.050 -7.709 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.709 -0.050 -7.122 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.467 0.372 -5.599 1.00 0.00 H new ATOM 541 N HIS A 23 7.922 2.256 -6.968 1.00 0.00 N ATOM 542 CA HIS A 23 9.350 1.894 -6.797 1.00 0.00 C ATOM 543 C HIS A 23 10.010 2.930 -5.894 1.00 0.00 C ATOM 544 O HIS A 23 10.832 2.597 -5.065 1.00 0.00 O ATOM 545 CB HIS A 23 9.954 1.934 -8.206 1.00 0.00 C ATOM 546 CG HIS A 23 11.133 1.006 -8.277 1.00 0.00 C ATOM 547 ND1 HIS A 23 11.054 -0.247 -8.866 1.00 0.00 N ATOM 548 CD2 HIS A 23 12.426 1.135 -7.838 1.00 0.00 C ATOM 549 CE1 HIS A 23 12.270 -0.816 -8.767 1.00 0.00 C ATOM 550 NE2 HIS A 23 13.143 -0.016 -8.149 1.00 0.00 N ATOM 0 H HIS A 23 7.663 2.534 -7.915 1.00 0.00 H new ATOM 0 HA HIS A 23 9.490 0.914 -6.341 1.00 0.00 H new ATOM 0 HB2 HIS A 23 9.205 1.643 -8.942 1.00 0.00 H new ATOM 0 HB3 HIS A 23 10.263 2.950 -8.451 1.00 0.00 H new ATOM 0 HD1 HIS A 23 10.227 -0.661 -9.295 1.00 0.00 H new ATOM 0 HD2 HIS A 23 12.827 1.999 -7.328 1.00 0.00 H new ATOM 0 HE1 HIS A 23 12.510 -1.800 -9.142 1.00 0.00 H new ATOM 558 N MET A 24 9.629 4.188 -6.024 1.00 0.00 N ATOM 559 CA MET A 24 10.225 5.234 -5.140 1.00 0.00 C ATOM 560 C MET A 24 10.035 4.821 -3.682 1.00 0.00 C ATOM 561 O MET A 24 10.950 4.884 -2.897 1.00 0.00 O ATOM 562 CB MET A 24 9.458 6.528 -5.439 1.00 0.00 C ATOM 563 CG MET A 24 9.762 7.581 -4.360 1.00 0.00 C ATOM 564 SD MET A 24 8.646 8.991 -4.569 1.00 0.00 S ATOM 565 CE MET A 24 7.131 8.171 -4.012 1.00 0.00 C ATOM 0 H MET A 24 8.940 4.524 -6.697 1.00 0.00 H new ATOM 0 HA MET A 24 11.293 5.366 -5.315 1.00 0.00 H new ATOM 0 HB2 MET A 24 9.740 6.909 -6.420 1.00 0.00 H new ATOM 0 HB3 MET A 24 8.387 6.327 -5.471 1.00 0.00 H new ATOM 0 HG2 MET A 24 9.637 7.148 -3.368 1.00 0.00 H new ATOM 0 HG3 MET A 24 10.799 7.909 -4.437 1.00 0.00 H new ATOM 0 HE1 MET A 24 6.338 8.336 -4.742 1.00 0.00 H new ATOM 0 HE2 MET A 24 7.313 7.101 -3.910 1.00 0.00 H new ATOM 0 HE3 MET A 24 6.828 8.581 -3.049 1.00 0.00 H new ATOM 575 N LEU A 25 8.856 4.387 -3.322 1.00 0.00 N ATOM 576 CA LEU A 25 8.621 3.964 -1.908 1.00 0.00 C ATOM 577 C LEU A 25 9.364 2.672 -1.593 1.00 0.00 C ATOM 578 O LEU A 25 10.103 2.609 -0.640 1.00 0.00 O ATOM 579 CB LEU A 25 7.118 3.785 -1.778 1.00 0.00 C ATOM 580 CG LEU A 25 6.423 5.140 -1.566 1.00 0.00 C ATOM 581 CD1 LEU A 25 5.416 4.998 -0.436 1.00 0.00 C ATOM 582 CD2 LEU A 25 7.411 6.255 -1.192 1.00 0.00 C ATOM 0 H LEU A 25 8.049 4.307 -3.941 1.00 0.00 H new ATOM 0 HA LEU A 25 8.994 4.704 -1.200 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.725 3.306 -2.675 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.897 3.123 -0.941 1.00 0.00 H new ATOM 0 HG LEU A 25 5.944 5.415 -2.506 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.914 5.952 -0.274 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.678 4.240 -0.699 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.933 4.700 0.476 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.869 7.190 -1.054 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.923 5.992 -0.266 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.143 6.375 -1.990 1.00 0.00 H new ATOM 594 N MET A 26 9.206 1.647 -2.381 1.00 0.00 N ATOM 595 CA MET A 26 9.959 0.388 -2.087 1.00 0.00 C ATOM 596 C MET A 26 11.466 0.712 -1.983 1.00 0.00 C ATOM 597 O MET A 26 12.185 0.174 -1.157 1.00 0.00 O ATOM 598 CB MET A 26 9.676 -0.525 -3.286 1.00 0.00 C ATOM 599 CG MET A 26 10.607 -1.741 -3.249 1.00 0.00 C ATOM 600 SD MET A 26 12.093 -1.392 -4.226 1.00 0.00 S ATOM 601 CE MET A 26 11.747 -2.532 -5.588 1.00 0.00 C ATOM 0 H MET A 26 8.601 1.620 -3.202 1.00 0.00 H new ATOM 0 HA MET A 26 9.663 -0.081 -1.149 1.00 0.00 H new ATOM 0 HB2 MET A 26 8.636 -0.852 -3.267 1.00 0.00 H new ATOM 0 HB3 MET A 26 9.820 0.026 -4.215 1.00 0.00 H new ATOM 0 HG2 MET A 26 10.881 -1.972 -2.220 1.00 0.00 H new ATOM 0 HG3 MET A 26 10.095 -2.617 -3.646 1.00 0.00 H new ATOM 0 HE1 MET A 26 12.552 -2.478 -6.321 1.00 0.00 H new ATOM 0 HE2 MET A 26 11.675 -3.549 -5.202 1.00 0.00 H new ATOM 0 HE3 MET A 26 10.805 -2.256 -6.063 1.00 0.00 H new ATOM 611 N ARG A 27 11.935 1.584 -2.836 1.00 0.00 N ATOM 612 CA ARG A 27 13.380 1.965 -2.848 1.00 0.00 C ATOM 613 C ARG A 27 13.758 3.072 -1.829 1.00 0.00 C ATOM 614 O ARG A 27 14.933 3.270 -1.584 1.00 0.00 O ATOM 615 CB ARG A 27 13.647 2.428 -4.289 1.00 0.00 C ATOM 616 CG ARG A 27 13.367 3.933 -4.435 1.00 0.00 C ATOM 617 CD ARG A 27 14.697 4.686 -4.497 1.00 0.00 C ATOM 618 NE ARG A 27 14.545 5.675 -5.608 1.00 0.00 N ATOM 619 CZ ARG A 27 15.448 6.589 -5.786 1.00 0.00 C ATOM 620 NH1 ARG A 27 16.644 6.251 -6.158 1.00 0.00 N ATOM 621 NH2 ARG A 27 15.154 7.834 -5.585 1.00 0.00 N ATOM 0 H ARG A 27 11.367 2.058 -3.539 1.00 0.00 H new ATOM 0 HA ARG A 27 13.993 1.117 -2.544 1.00 0.00 H new ATOM 0 HB2 ARG A 27 14.682 2.217 -4.558 1.00 0.00 H new ATOM 0 HB3 ARG A 27 13.017 1.867 -4.980 1.00 0.00 H new ATOM 0 HG2 ARG A 27 12.786 4.121 -5.338 1.00 0.00 H new ATOM 0 HG3 ARG A 27 12.773 4.288 -3.593 1.00 0.00 H new ATOM 0 HD2 ARG A 27 14.909 5.187 -3.552 1.00 0.00 H new ATOM 0 HD3 ARG A 27 15.525 4.004 -4.689 1.00 0.00 H new ATOM 0 HE ARG A 27 13.733 5.631 -6.224 1.00 0.00 H new ATOM 0 HH11 ARG A 27 16.872 5.269 -6.310 1.00 0.00 H new ATOM 0 HH12 ARG A 27 17.356 6.968 -6.299 1.00 0.00 H new ATOM 0 HH21 ARG A 27 14.214 8.094 -5.287 1.00 0.00 H new ATOM 0 HH22 ARG A 27 15.863 8.554 -5.724 1.00 0.00 H new ATOM 635 N VAL A 28 12.823 3.843 -1.288 1.00 0.00 N ATOM 636 CA VAL A 28 13.247 4.959 -0.352 1.00 0.00 C ATOM 637 C VAL A 28 14.285 4.522 0.695 1.00 0.00 C ATOM 638 O VAL A 28 14.440 3.348 0.996 1.00 0.00 O ATOM 639 CB VAL A 28 11.998 5.472 0.361 1.00 0.00 C ATOM 640 CG1 VAL A 28 11.131 6.232 -0.632 1.00 0.00 C ATOM 641 CG2 VAL A 28 11.213 4.315 0.981 1.00 0.00 C ATOM 0 H VAL A 28 11.819 3.754 -1.446 1.00 0.00 H new ATOM 0 HA VAL A 28 13.725 5.733 -0.953 1.00 0.00 H new ATOM 0 HB VAL A 28 12.297 6.142 1.167 1.00 0.00 H new ATOM 0 HG11 VAL A 28 10.238 6.600 -0.128 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.693 7.074 -1.036 1.00 0.00 H new ATOM 0 HG13 VAL A 28 10.840 5.567 -1.445 1.00 0.00 H new ATOM 0 HG21 VAL A 28 10.328 4.704 1.484 1.00 0.00 H new ATOM 0 HG22 VAL A 28 10.910 3.620 0.198 1.00 0.00 H new ATOM 0 HG23 VAL A 28 11.841 3.795 1.704 1.00 0.00 H new ATOM 651 N PRO A 29 14.955 5.524 1.223 1.00 0.00 N ATOM 652 CA PRO A 29 16.012 5.316 2.259 1.00 0.00 C ATOM 653 C PRO A 29 15.449 4.696 3.544 1.00 0.00 C ATOM 654 O PRO A 29 16.140 3.975 4.247 1.00 0.00 O ATOM 655 CB PRO A 29 16.521 6.739 2.522 1.00 0.00 C ATOM 656 CG PRO A 29 15.388 7.626 2.111 1.00 0.00 C ATOM 657 CD PRO A 29 14.781 6.955 0.918 1.00 0.00 C ATOM 0 HA PRO A 29 16.787 4.624 1.929 1.00 0.00 H new ATOM 0 HB2 PRO A 29 16.775 6.881 3.572 1.00 0.00 H new ATOM 0 HB3 PRO A 29 17.421 6.951 1.945 1.00 0.00 H new ATOM 0 HG2 PRO A 29 14.660 7.734 2.915 1.00 0.00 H new ATOM 0 HG3 PRO A 29 15.741 8.627 1.863 1.00 0.00 H new ATOM 0 HD2 PRO A 29 13.730 7.218 0.798 1.00 0.00 H new ATOM 0 HD3 PRO A 29 15.288 7.236 -0.005 1.00 0.00 H new ATOM 665 N ARG A 30 14.216 4.974 3.872 1.00 0.00 N ATOM 666 CA ARG A 30 13.651 4.404 5.126 1.00 0.00 C ATOM 667 C ARG A 30 12.665 3.272 4.862 1.00 0.00 C ATOM 668 O ARG A 30 11.982 3.230 3.856 1.00 0.00 O ATOM 669 CB ARG A 30 12.946 5.563 5.819 1.00 0.00 C ATOM 670 CG ARG A 30 13.921 6.221 6.798 1.00 0.00 C ATOM 671 CD ARG A 30 14.149 5.302 8.005 1.00 0.00 C ATOM 672 NE ARG A 30 15.436 4.589 7.724 1.00 0.00 N ATOM 673 CZ ARG A 30 15.444 3.297 7.562 1.00 0.00 C ATOM 674 NH1 ARG A 30 14.945 2.532 8.478 1.00 0.00 N ATOM 675 NH2 ARG A 30 15.943 2.773 6.484 1.00 0.00 N ATOM 0 H ARG A 30 13.583 5.564 3.332 1.00 0.00 H new ATOM 0 HA ARG A 30 14.444 3.969 5.735 1.00 0.00 H new ATOM 0 HB2 ARG A 30 12.603 6.290 5.083 1.00 0.00 H new ATOM 0 HB3 ARG A 30 12.063 5.205 6.349 1.00 0.00 H new ATOM 0 HG2 ARG A 30 14.869 6.423 6.300 1.00 0.00 H new ATOM 0 HG3 ARG A 30 13.524 7.180 7.130 1.00 0.00 H new ATOM 0 HD2 ARG A 30 14.211 5.876 8.930 1.00 0.00 H new ATOM 0 HD3 ARG A 30 13.326 4.597 8.123 1.00 0.00 H new ATOM 0 HE ARG A 30 16.307 5.116 7.659 1.00 0.00 H new ATOM 0 HH11 ARG A 30 14.547 2.941 9.323 1.00 0.00 H new ATOM 0 HH12 ARG A 30 14.949 1.519 8.355 1.00 0.00 H new ATOM 0 HH21 ARG A 30 16.332 3.374 5.758 1.00 0.00 H new ATOM 0 HH22 ARG A 30 15.946 1.760 6.364 1.00 0.00 H new ATOM 689 N ASP A 31 12.574 2.365 5.791 1.00 0.00 N ATOM 690 CA ASP A 31 11.620 1.234 5.647 1.00 0.00 C ATOM 691 C ASP A 31 10.217 1.724 6.042 1.00 0.00 C ATOM 692 O ASP A 31 10.053 2.816 6.561 1.00 0.00 O ATOM 693 CB ASP A 31 12.137 0.152 6.614 1.00 0.00 C ATOM 694 CG ASP A 31 13.659 0.007 6.475 1.00 0.00 C ATOM 695 OD1 ASP A 31 14.111 -0.331 5.394 1.00 0.00 O ATOM 696 OD2 ASP A 31 14.347 0.258 7.451 1.00 0.00 O ATOM 0 H ASP A 31 13.124 2.359 6.650 1.00 0.00 H new ATOM 0 HA ASP A 31 11.553 0.844 4.631 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.881 0.417 7.640 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.652 -0.800 6.400 1.00 0.00 H new ATOM 701 N GLY A 32 9.201 0.952 5.798 1.00 0.00 N ATOM 702 CA GLY A 32 7.824 1.406 6.164 1.00 0.00 C ATOM 703 C GLY A 32 7.327 2.439 5.145 1.00 0.00 C ATOM 704 O GLY A 32 6.958 3.545 5.492 1.00 0.00 O ATOM 0 H GLY A 32 9.257 0.031 5.364 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.146 0.553 6.191 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.829 1.841 7.163 1.00 0.00 H new ATOM 708 N ALA A 33 7.310 2.068 3.896 1.00 0.00 N ATOM 709 CA ALA A 33 6.818 2.986 2.821 1.00 0.00 C ATOM 710 C ALA A 33 5.550 2.377 2.206 1.00 0.00 C ATOM 711 O ALA A 33 5.513 1.198 1.905 1.00 0.00 O ATOM 712 CB ALA A 33 7.954 3.057 1.795 1.00 0.00 C ATOM 0 H ALA A 33 7.620 1.154 3.565 1.00 0.00 H new ATOM 0 HA ALA A 33 6.566 3.982 3.185 1.00 0.00 H new ATOM 0 HB1 ALA A 33 7.664 3.714 0.975 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.852 3.448 2.273 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.156 2.059 1.406 1.00 0.00 H new ATOM 718 N PHE A 34 4.506 3.152 2.047 1.00 0.00 N ATOM 719 CA PHE A 34 3.227 2.591 1.489 1.00 0.00 C ATOM 720 C PHE A 34 2.730 3.436 0.301 1.00 0.00 C ATOM 721 O PHE A 34 2.741 4.652 0.352 1.00 0.00 O ATOM 722 CB PHE A 34 2.219 2.640 2.660 1.00 0.00 C ATOM 723 CG PHE A 34 2.936 2.745 3.994 1.00 0.00 C ATOM 724 CD1 PHE A 34 3.403 1.588 4.630 1.00 0.00 C ATOM 725 CD2 PHE A 34 3.145 3.999 4.583 1.00 0.00 C ATOM 726 CE1 PHE A 34 4.076 1.684 5.854 1.00 0.00 C ATOM 727 CE2 PHE A 34 3.821 4.095 5.806 1.00 0.00 C ATOM 728 CZ PHE A 34 4.286 2.938 6.441 1.00 0.00 C ATOM 0 H PHE A 34 4.479 4.145 2.277 1.00 0.00 H new ATOM 0 HA PHE A 34 3.359 1.578 1.109 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.552 3.493 2.534 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.598 1.744 2.647 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.244 0.621 4.176 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.785 4.892 4.094 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.433 0.791 6.345 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.983 5.062 6.259 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.807 3.012 7.384 1.00 0.00 H new ATOM 738 N LEU A 35 2.285 2.808 -0.770 1.00 0.00 N ATOM 739 CA LEU A 35 1.795 3.597 -1.954 1.00 0.00 C ATOM 740 C LEU A 35 0.916 2.719 -2.862 1.00 0.00 C ATOM 741 O LEU A 35 1.041 1.514 -2.877 1.00 0.00 O ATOM 742 CB LEU A 35 3.078 4.026 -2.691 1.00 0.00 C ATOM 743 CG LEU A 35 2.851 5.332 -3.470 1.00 0.00 C ATOM 744 CD1 LEU A 35 2.569 6.480 -2.497 1.00 0.00 C ATOM 745 CD2 LEU A 35 4.112 5.665 -4.283 1.00 0.00 C ATOM 0 H LEU A 35 2.240 1.794 -0.874 1.00 0.00 H new ATOM 0 HA LEU A 35 1.182 4.449 -1.660 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.887 4.162 -1.973 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.389 3.238 -3.377 1.00 0.00 H new ATOM 0 HG LEU A 35 1.998 5.205 -4.137 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.409 7.401 -3.058 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.677 6.251 -1.913 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.419 6.606 -1.827 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.954 6.591 -4.837 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.959 5.786 -3.608 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.319 4.855 -4.982 1.00 0.00 H new ATOM 757 N VAL A 36 0.045 3.317 -3.628 1.00 0.00 N ATOM 758 CA VAL A 36 -0.826 2.522 -4.555 1.00 0.00 C ATOM 759 C VAL A 36 -0.839 3.206 -5.927 1.00 0.00 C ATOM 760 O VAL A 36 -0.987 4.408 -6.022 1.00 0.00 O ATOM 761 CB VAL A 36 -2.229 2.493 -3.917 1.00 0.00 C ATOM 762 CG1 VAL A 36 -2.248 1.485 -2.766 1.00 0.00 C ATOM 763 CG2 VAL A 36 -2.600 3.877 -3.373 1.00 0.00 C ATOM 0 H VAL A 36 -0.105 4.326 -3.655 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.466 1.503 -4.701 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.951 2.203 -4.680 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.240 1.465 -2.316 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.003 0.494 -3.147 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.514 1.777 -2.015 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.593 3.838 -2.926 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.874 4.178 -2.618 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.597 4.601 -4.188 1.00 0.00 H new ATOM 773 N ARG A 37 -0.645 2.461 -6.982 1.00 0.00 N ATOM 774 CA ARG A 37 -0.596 3.084 -8.343 1.00 0.00 C ATOM 775 C ARG A 37 -1.427 2.301 -9.367 1.00 0.00 C ATOM 776 O ARG A 37 -1.792 1.159 -9.154 1.00 0.00 O ATOM 777 CB ARG A 37 0.893 3.074 -8.727 1.00 0.00 C ATOM 778 CG ARG A 37 1.193 1.918 -9.700 1.00 0.00 C ATOM 779 CD ARG A 37 2.462 1.193 -9.264 1.00 0.00 C ATOM 780 NE ARG A 37 2.138 -0.256 -9.401 1.00 0.00 N ATOM 781 CZ ARG A 37 2.633 -1.127 -8.575 1.00 0.00 C ATOM 782 NH1 ARG A 37 2.174 -1.210 -7.365 1.00 0.00 N ATOM 783 NH2 ARG A 37 3.608 -1.886 -8.952 1.00 0.00 N ATOM 0 H ARG A 37 -0.518 1.449 -6.964 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.020 4.088 -8.334 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.162 4.024 -9.188 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.505 2.971 -7.831 1.00 0.00 H new ATOM 0 HG2 ARG A 37 0.355 1.222 -9.722 1.00 0.00 H new ATOM 0 HG3 ARG A 37 1.313 2.304 -10.712 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.311 1.470 -9.890 1.00 0.00 H new ATOM 0 HD3 ARG A 37 2.728 1.444 -8.237 1.00 0.00 H new ATOM 0 HE ARG A 37 1.521 -0.566 -10.152 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.423 -0.590 -7.061 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.564 -1.895 -6.717 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.986 -1.800 -9.895 1.00 0.00 H new ATOM 0 HH22 ARG A 37 4.000 -2.572 -8.306 1.00 0.00 H new ATOM 797 N LYS A 38 -1.704 2.915 -10.487 1.00 0.00 N ATOM 798 CA LYS A 38 -2.485 2.231 -11.561 1.00 0.00 C ATOM 799 C LYS A 38 -1.546 1.335 -12.392 1.00 0.00 C ATOM 800 O LYS A 38 -0.429 1.711 -12.702 1.00 0.00 O ATOM 801 CB LYS A 38 -3.047 3.379 -12.405 1.00 0.00 C ATOM 802 CG LYS A 38 -4.448 3.023 -12.904 1.00 0.00 C ATOM 803 CD LYS A 38 -4.344 2.322 -14.260 1.00 0.00 C ATOM 804 CE LYS A 38 -5.251 1.090 -14.272 1.00 0.00 C ATOM 805 NZ LYS A 38 -4.790 0.293 -15.445 1.00 0.00 N ATOM 0 H LYS A 38 -1.420 3.870 -10.706 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.275 1.585 -11.178 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.084 4.293 -11.812 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.389 3.575 -13.252 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -4.948 2.374 -12.185 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.053 3.925 -12.994 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.633 3.006 -15.058 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.312 2.028 -14.450 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.160 0.522 -13.346 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.299 1.371 -14.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.132 -0.685 -15.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.165 0.713 -16.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.751 0.294 -15.479 1.00 0.00 H new ATOM 819 N ARG A 39 -1.988 0.151 -12.739 1.00 0.00 N ATOM 820 CA ARG A 39 -1.129 -0.786 -13.530 1.00 0.00 C ATOM 821 C ARG A 39 -1.458 -0.692 -15.017 1.00 0.00 C ATOM 822 O ARG A 39 -2.499 -0.196 -15.399 1.00 0.00 O ATOM 823 CB ARG A 39 -1.462 -2.180 -12.986 1.00 0.00 C ATOM 824 CG ARG A 39 -0.421 -3.190 -13.470 1.00 0.00 C ATOM 825 CD ARG A 39 -0.657 -4.535 -12.783 1.00 0.00 C ATOM 826 NE ARG A 39 -1.633 -5.267 -13.642 1.00 0.00 N ATOM 827 CZ ARG A 39 -1.219 -6.149 -14.507 1.00 0.00 C ATOM 828 NH1 ARG A 39 -0.703 -5.777 -15.637 1.00 0.00 N ATOM 829 NH2 ARG A 39 -1.278 -7.406 -14.219 1.00 0.00 N ATOM 0 H ARG A 39 -2.914 -0.209 -12.507 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.069 -0.552 -13.434 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.482 -2.159 -11.896 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.456 -2.482 -13.318 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.487 -3.306 -14.552 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.583 -2.828 -13.249 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.274 -5.093 -12.687 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.051 -4.396 -11.776 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.631 -5.076 -13.551 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.618 -4.785 -15.857 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.382 -6.477 -16.306 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.648 -7.706 -13.317 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -0.955 -8.099 -14.894 1.00 0.00 H new ATOM 843 N ASN A 40 -0.581 -1.151 -15.865 1.00 0.00 N ATOM 844 CA ASN A 40 -0.857 -1.083 -17.334 1.00 0.00 C ATOM 845 C ASN A 40 -2.104 -1.917 -17.708 1.00 0.00 C ATOM 846 O ASN A 40 -2.756 -1.651 -18.698 1.00 0.00 O ATOM 847 CB ASN A 40 0.410 -1.638 -18.008 1.00 0.00 C ATOM 848 CG ASN A 40 0.501 -3.159 -17.828 1.00 0.00 C ATOM 849 OD1 ASN A 40 0.094 -3.695 -16.814 1.00 0.00 O ATOM 850 ND2 ASN A 40 1.025 -3.882 -18.776 1.00 0.00 N ATOM 0 H ASN A 40 0.313 -1.570 -15.609 1.00 0.00 H new ATOM 0 HA ASN A 40 -1.074 -0.065 -17.659 1.00 0.00 H new ATOM 0 HB2 ASN A 40 0.399 -1.393 -19.070 1.00 0.00 H new ATOM 0 HB3 ASN A 40 1.293 -1.163 -17.580 1.00 0.00 H new ATOM 0 HD21 ASN A 40 1.093 -4.894 -18.667 1.00 0.00 H new ATOM 0 HD22 ASN A 40 1.367 -3.436 -19.627 1.00 0.00 H new ATOM 857 N GLU A 41 -2.436 -2.918 -16.921 1.00 0.00 N ATOM 858 CA GLU A 41 -3.635 -3.768 -17.225 1.00 0.00 C ATOM 859 C GLU A 41 -4.935 -3.002 -16.887 1.00 0.00 C ATOM 860 O GLU A 41 -4.969 -2.207 -15.958 1.00 0.00 O ATOM 861 CB GLU A 41 -3.466 -5.028 -16.330 1.00 0.00 C ATOM 862 CG GLU A 41 -4.735 -5.903 -16.328 1.00 0.00 C ATOM 863 CD GLU A 41 -4.549 -7.063 -15.344 1.00 0.00 C ATOM 864 OE1 GLU A 41 -3.735 -7.925 -15.623 1.00 0.00 O ATOM 865 OE2 GLU A 41 -5.224 -7.074 -14.324 1.00 0.00 O ATOM 0 H GLU A 41 -1.926 -3.183 -16.079 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.706 -4.034 -18.280 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.620 -5.616 -16.686 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.235 -4.721 -15.310 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.602 -5.306 -16.044 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.927 -6.288 -17.330 1.00 0.00 H new ATOM 872 N PRO A 42 -5.974 -3.271 -17.646 1.00 0.00 N ATOM 873 CA PRO A 42 -7.286 -2.608 -17.404 1.00 0.00 C ATOM 874 C PRO A 42 -7.888 -3.147 -16.099 1.00 0.00 C ATOM 875 O PRO A 42 -7.693 -4.299 -15.763 1.00 0.00 O ATOM 876 CB PRO A 42 -8.124 -3.015 -18.615 1.00 0.00 C ATOM 877 CG PRO A 42 -7.503 -4.286 -19.099 1.00 0.00 C ATOM 878 CD PRO A 42 -6.032 -4.202 -18.781 1.00 0.00 C ATOM 0 HA PRO A 42 -7.225 -1.525 -17.297 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -9.168 -3.164 -18.341 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -8.104 -2.246 -19.387 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -7.956 -5.148 -18.609 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -7.660 -4.409 -20.171 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -5.622 -5.178 -18.520 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -5.459 -3.833 -19.631 1.00 0.00 H new ATOM 886 N ASN A 43 -8.594 -2.330 -15.343 1.00 0.00 N ATOM 887 CA ASN A 43 -9.167 -2.830 -14.043 1.00 0.00 C ATOM 888 C ASN A 43 -8.032 -3.379 -13.169 1.00 0.00 C ATOM 889 O ASN A 43 -8.220 -4.292 -12.385 1.00 0.00 O ATOM 890 CB ASN A 43 -10.088 -3.981 -14.445 1.00 0.00 C ATOM 891 CG ASN A 43 -11.257 -4.089 -13.464 1.00 0.00 C ATOM 892 OD1 ASN A 43 -12.372 -3.759 -13.797 1.00 0.00 O ATOM 893 ND2 ASN A 43 -11.051 -4.547 -12.263 1.00 0.00 N ATOM 0 H ASN A 43 -8.796 -1.355 -15.564 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.685 -2.050 -13.486 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -10.465 -3.819 -15.455 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -9.528 -4.916 -14.460 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.828 -4.626 -11.607 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.112 -4.827 -11.978 1.00 0.00 H new ATOM 900 N SER A 44 -6.844 -2.866 -13.349 1.00 0.00 N ATOM 901 CA SER A 44 -5.671 -3.390 -12.600 1.00 0.00 C ATOM 902 C SER A 44 -4.847 -2.275 -11.965 1.00 0.00 C ATOM 903 O SER A 44 -4.136 -1.543 -12.626 1.00 0.00 O ATOM 904 CB SER A 44 -4.888 -4.110 -13.686 1.00 0.00 C ATOM 905 OG SER A 44 -4.017 -5.065 -13.093 1.00 0.00 O ATOM 0 H SER A 44 -6.637 -2.099 -13.989 1.00 0.00 H new ATOM 0 HA SER A 44 -5.950 -4.028 -11.761 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.573 -4.606 -14.374 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.313 -3.392 -14.270 1.00 0.00 H new ATOM 0 HG SER A 44 -4.425 -5.955 -13.143 1.00 0.00 H new ATOM 911 N TYR A 45 -4.930 -2.177 -10.673 1.00 0.00 N ATOM 912 CA TYR A 45 -4.142 -1.171 -9.922 1.00 0.00 C ATOM 913 C TYR A 45 -3.014 -1.931 -9.209 1.00 0.00 C ATOM 914 O TYR A 45 -2.711 -3.045 -9.580 1.00 0.00 O ATOM 915 CB TYR A 45 -5.143 -0.575 -8.932 1.00 0.00 C ATOM 916 CG TYR A 45 -4.818 0.868 -8.685 1.00 0.00 C ATOM 917 CD1 TYR A 45 -5.079 1.826 -9.665 1.00 0.00 C ATOM 918 CD2 TYR A 45 -4.262 1.246 -7.467 1.00 0.00 C ATOM 919 CE1 TYR A 45 -4.779 3.168 -9.425 1.00 0.00 C ATOM 920 CE2 TYR A 45 -3.962 2.581 -7.223 1.00 0.00 C ATOM 921 CZ TYR A 45 -4.220 3.549 -8.202 1.00 0.00 C ATOM 922 OH TYR A 45 -3.931 4.879 -7.963 1.00 0.00 O ATOM 0 H TYR A 45 -5.526 -2.767 -10.092 1.00 0.00 H new ATOM 0 HA TYR A 45 -3.689 -0.386 -10.528 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.155 -0.667 -9.325 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -5.114 -1.129 -7.994 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -5.513 1.530 -10.609 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -4.063 0.501 -6.710 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -4.979 3.911 -10.183 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -3.529 2.872 -6.277 1.00 0.00 H new ATOM 0 HH TYR A 45 -3.392 4.955 -7.148 1.00 0.00 H new ATOM 932 N ALA A 46 -2.396 -1.373 -8.208 1.00 0.00 N ATOM 933 CA ALA A 46 -1.301 -2.116 -7.507 1.00 0.00 C ATOM 934 C ALA A 46 -0.892 -1.385 -6.218 1.00 0.00 C ATOM 935 O ALA A 46 -1.061 -0.188 -6.091 1.00 0.00 O ATOM 936 CB ALA A 46 -0.163 -2.164 -8.530 1.00 0.00 C ATOM 0 H ALA A 46 -2.596 -0.442 -7.843 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.597 -3.116 -7.190 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.689 -2.693 -8.102 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.501 -2.685 -9.426 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.135 -1.148 -8.791 1.00 0.00 H new ATOM 942 N ILE A 47 -0.377 -2.110 -5.254 1.00 0.00 N ATOM 943 CA ILE A 47 0.031 -1.480 -3.947 1.00 0.00 C ATOM 944 C ILE A 47 1.568 -1.357 -3.850 1.00 0.00 C ATOM 945 O ILE A 47 2.290 -1.789 -4.731 1.00 0.00 O ATOM 946 CB ILE A 47 -0.506 -2.447 -2.867 1.00 0.00 C ATOM 947 CG1 ILE A 47 -2.023 -2.631 -3.026 1.00 0.00 C ATOM 948 CG2 ILE A 47 -0.226 -1.898 -1.464 1.00 0.00 C ATOM 949 CD1 ILE A 47 -2.540 -3.544 -1.915 1.00 0.00 C ATOM 0 H ILE A 47 -0.219 -3.116 -5.312 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.364 -0.470 -3.836 1.00 0.00 H new ATOM 0 HB ILE A 47 0.000 -3.404 -2.993 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.525 -1.664 -2.981 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.248 -3.062 -4.001 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.611 -2.593 -0.718 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.849 -1.779 -1.328 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.716 -0.931 -1.347 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.616 -3.677 -2.025 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.046 -4.513 -1.981 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.327 -3.094 -0.945 1.00 0.00 H new ATOM 961 N SER A 48 2.061 -0.769 -2.780 1.00 0.00 N ATOM 962 CA SER A 48 3.539 -0.611 -2.590 1.00 0.00 C ATOM 963 C SER A 48 3.886 -0.537 -1.100 1.00 0.00 C ATOM 964 O SER A 48 4.077 0.531 -0.550 1.00 0.00 O ATOM 965 CB SER A 48 3.912 0.705 -3.256 1.00 0.00 C ATOM 966 OG SER A 48 5.330 0.848 -3.212 1.00 0.00 O ATOM 0 H SER A 48 1.493 -0.388 -2.023 1.00 0.00 H new ATOM 0 HA SER A 48 4.078 -1.457 -3.017 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.562 0.720 -4.288 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.431 1.538 -2.744 1.00 0.00 H new ATOM 0 HG SER A 48 5.576 1.448 -2.477 1.00 0.00 H new ATOM 972 N PHE A 49 3.976 -1.656 -0.439 1.00 0.00 N ATOM 973 CA PHE A 49 4.324 -1.629 1.010 1.00 0.00 C ATOM 974 C PHE A 49 5.803 -1.994 1.202 1.00 0.00 C ATOM 975 O PHE A 49 6.198 -3.133 1.044 1.00 0.00 O ATOM 976 CB PHE A 49 3.407 -2.674 1.658 1.00 0.00 C ATOM 977 CG PHE A 49 2.671 -2.071 2.833 1.00 0.00 C ATOM 978 CD1 PHE A 49 1.537 -1.278 2.622 1.00 0.00 C ATOM 979 CD2 PHE A 49 3.117 -2.319 4.136 1.00 0.00 C ATOM 980 CE1 PHE A 49 0.851 -0.732 3.712 1.00 0.00 C ATOM 981 CE2 PHE A 49 2.433 -1.771 5.227 1.00 0.00 C ATOM 982 CZ PHE A 49 1.298 -0.980 5.015 1.00 0.00 C ATOM 0 H PHE A 49 3.825 -2.584 -0.835 1.00 0.00 H new ATOM 0 HA PHE A 49 4.185 -0.644 1.456 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.692 -3.045 0.924 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.996 -3.529 1.989 1.00 0.00 H new ATOM 0 HD1 PHE A 49 1.191 -1.088 1.617 1.00 0.00 H new ATOM 0 HD2 PHE A 49 3.990 -2.934 4.300 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.023 -0.119 3.548 1.00 0.00 H new ATOM 0 HE2 PHE A 49 2.781 -1.958 6.232 1.00 0.00 H new ATOM 0 HZ PHE A 49 0.767 -0.561 5.857 1.00 0.00 H new ATOM 992 N ARG A 50 6.633 -1.045 1.552 1.00 0.00 N ATOM 993 CA ARG A 50 8.075 -1.381 1.754 1.00 0.00 C ATOM 994 C ARG A 50 8.269 -1.941 3.166 1.00 0.00 C ATOM 995 O ARG A 50 8.101 -1.244 4.153 1.00 0.00 O ATOM 996 CB ARG A 50 8.845 -0.064 1.577 1.00 0.00 C ATOM 997 CG ARG A 50 10.342 -0.365 1.477 1.00 0.00 C ATOM 998 CD ARG A 50 11.143 0.928 1.645 1.00 0.00 C ATOM 999 NE ARG A 50 12.535 0.554 1.265 1.00 0.00 N ATOM 1000 CZ ARG A 50 13.436 0.410 2.183 1.00 0.00 C ATOM 1001 NH1 ARG A 50 13.427 -0.652 2.923 1.00 0.00 N ATOM 1002 NH2 ARG A 50 14.343 1.317 2.351 1.00 0.00 N ATOM 0 H ARG A 50 6.381 -0.068 1.705 1.00 0.00 H new ATOM 0 HA ARG A 50 8.429 -2.133 1.049 1.00 0.00 H new ATOM 0 HB2 ARG A 50 8.505 0.452 0.679 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.651 0.600 2.419 1.00 0.00 H new ATOM 0 HG2 ARG A 50 10.630 -1.084 2.244 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.567 -0.820 0.513 1.00 0.00 H new ATOM 0 HD2 ARG A 50 10.756 1.721 1.005 1.00 0.00 H new ATOM 0 HD3 ARG A 50 11.096 1.294 2.671 1.00 0.00 H new ATOM 0 HE ARG A 50 12.777 0.412 0.284 1.00 0.00 H new ATOM 0 HH11 ARG A 50 12.714 -1.367 2.780 1.00 0.00 H new ATOM 0 HH12 ARG A 50 14.133 -0.774 3.649 1.00 0.00 H new ATOM 0 HH21 ARG A 50 14.349 2.148 1.759 1.00 0.00 H new ATOM 0 HH22 ARG A 50 15.052 1.201 3.075 1.00 0.00 H new ATOM 1016 N ALA A 51 8.622 -3.200 3.263 1.00 0.00 N ATOM 1017 CA ALA A 51 8.825 -3.829 4.603 1.00 0.00 C ATOM 1018 C ALA A 51 10.292 -4.228 4.802 1.00 0.00 C ATOM 1019 O ALA A 51 11.039 -4.384 3.852 1.00 0.00 O ATOM 1020 CB ALA A 51 7.930 -5.070 4.596 1.00 0.00 C ATOM 0 H ALA A 51 8.778 -3.820 2.468 1.00 0.00 H new ATOM 0 HA ALA A 51 8.577 -3.145 5.415 1.00 0.00 H new ATOM 0 HB1 ALA A 51 8.022 -5.590 5.549 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.893 -4.770 4.445 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.236 -5.735 3.789 1.00 0.00 H new ATOM 1026 N GLU A 52 10.705 -4.390 6.032 1.00 0.00 N ATOM 1027 CA GLU A 52 12.127 -4.776 6.307 1.00 0.00 C ATOM 1028 C GLU A 52 12.462 -6.139 5.657 1.00 0.00 C ATOM 1029 O GLU A 52 12.076 -7.190 6.133 1.00 0.00 O ATOM 1030 CB GLU A 52 12.233 -4.854 7.844 1.00 0.00 C ATOM 1031 CG GLU A 52 11.105 -5.735 8.420 1.00 0.00 C ATOM 1032 CD GLU A 52 11.421 -6.152 9.861 1.00 0.00 C ATOM 1033 OE1 GLU A 52 12.588 -6.346 10.175 1.00 0.00 O ATOM 1034 OE2 GLU A 52 10.482 -6.262 10.636 1.00 0.00 O ATOM 0 H GLU A 52 10.121 -4.272 6.860 1.00 0.00 H new ATOM 0 HA GLU A 52 12.833 -4.058 5.889 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.203 -5.264 8.127 1.00 0.00 H new ATOM 0 HB3 GLU A 52 12.173 -3.852 8.270 1.00 0.00 H new ATOM 0 HG2 GLU A 52 10.162 -5.189 8.393 1.00 0.00 H new ATOM 0 HG3 GLU A 52 10.978 -6.622 7.800 1.00 0.00 H new ATOM 1041 N GLY A 53 13.188 -6.113 4.562 1.00 0.00 N ATOM 1042 CA GLY A 53 13.571 -7.382 3.861 1.00 0.00 C ATOM 1043 C GLY A 53 12.328 -8.104 3.322 1.00 0.00 C ATOM 1044 O GLY A 53 12.160 -9.290 3.530 1.00 0.00 O ATOM 0 H GLY A 53 13.534 -5.261 4.121 1.00 0.00 H new ATOM 0 HA2 GLY A 53 14.252 -7.158 3.040 1.00 0.00 H new ATOM 0 HA3 GLY A 53 14.107 -8.036 4.549 1.00 0.00 H new ATOM 1048 N LYS A 54 11.462 -7.407 2.621 1.00 0.00 N ATOM 1049 CA LYS A 54 10.235 -8.068 2.066 1.00 0.00 C ATOM 1050 C LYS A 54 9.483 -7.112 1.124 1.00 0.00 C ATOM 1051 O LYS A 54 8.913 -6.126 1.553 1.00 0.00 O ATOM 1052 CB LYS A 54 9.375 -8.407 3.291 1.00 0.00 C ATOM 1053 CG LYS A 54 8.099 -9.137 2.849 1.00 0.00 C ATOM 1054 CD LYS A 54 6.969 -8.118 2.652 1.00 0.00 C ATOM 1055 CE LYS A 54 5.619 -8.748 3.009 1.00 0.00 C ATOM 1056 NZ LYS A 54 4.930 -7.713 3.830 1.00 0.00 N ATOM 0 H LYS A 54 11.551 -6.413 2.410 1.00 0.00 H new ATOM 0 HA LYS A 54 10.479 -8.954 1.480 1.00 0.00 H new ATOM 0 HB2 LYS A 54 9.941 -9.032 3.982 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.115 -7.494 3.827 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.280 -9.679 1.921 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.811 -9.875 3.598 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.146 -7.242 3.277 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.956 -7.774 1.618 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.046 -8.992 2.115 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.749 -9.675 3.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.922 -7.954 3.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.361 -7.676 4.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.025 -6.785 3.370 1.00 0.00 H new ATOM 1070 N ILE A 55 9.473 -7.404 -0.152 1.00 0.00 N ATOM 1071 CA ILE A 55 8.749 -6.525 -1.128 1.00 0.00 C ATOM 1072 C ILE A 55 8.047 -7.397 -2.184 1.00 0.00 C ATOM 1073 O ILE A 55 8.666 -8.234 -2.814 1.00 0.00 O ATOM 1074 CB ILE A 55 9.825 -5.647 -1.786 1.00 0.00 C ATOM 1075 CG1 ILE A 55 10.563 -4.799 -0.730 1.00 0.00 C ATOM 1076 CG2 ILE A 55 9.159 -4.718 -2.807 1.00 0.00 C ATOM 1077 CD1 ILE A 55 9.666 -3.658 -0.239 1.00 0.00 C ATOM 0 H ILE A 55 9.935 -8.215 -0.564 1.00 0.00 H new ATOM 0 HA ILE A 55 7.987 -5.916 -0.642 1.00 0.00 H new ATOM 0 HB ILE A 55 10.551 -6.293 -2.280 1.00 0.00 H new ATOM 0 HG12 ILE A 55 10.855 -5.428 0.111 1.00 0.00 H new ATOM 0 HG13 ILE A 55 11.479 -4.392 -1.157 1.00 0.00 H new ATOM 0 HG21 ILE A 55 9.917 -4.092 -3.278 1.00 0.00 H new ATOM 0 HG22 ILE A 55 8.657 -5.315 -3.569 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.429 -4.086 -2.302 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.201 -3.069 0.506 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.396 -3.020 -1.080 1.00 0.00 H new ATOM 0 HD13 ILE A 55 8.762 -4.072 0.207 1.00 0.00 H new ATOM 1089 N LYS A 56 6.763 -7.219 -2.372 1.00 0.00 N ATOM 1090 CA LYS A 56 6.026 -8.052 -3.384 1.00 0.00 C ATOM 1091 C LYS A 56 4.637 -7.458 -3.666 1.00 0.00 C ATOM 1092 O LYS A 56 3.620 -8.069 -3.377 1.00 0.00 O ATOM 1093 CB LYS A 56 5.893 -9.447 -2.744 1.00 0.00 C ATOM 1094 CG LYS A 56 5.305 -9.312 -1.332 1.00 0.00 C ATOM 1095 CD LYS A 56 4.169 -10.324 -1.118 1.00 0.00 C ATOM 1096 CE LYS A 56 2.827 -9.587 -0.974 1.00 0.00 C ATOM 1097 NZ LYS A 56 2.192 -9.704 -2.314 1.00 0.00 N ATOM 0 H LYS A 56 6.192 -6.537 -1.873 1.00 0.00 H new ATOM 0 HA LYS A 56 6.553 -8.089 -4.337 1.00 0.00 H new ATOM 0 HB2 LYS A 56 5.251 -10.080 -3.357 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.868 -9.932 -2.698 1.00 0.00 H new ATOM 0 HG2 LYS A 56 6.087 -9.473 -0.590 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.929 -8.299 -1.184 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.125 -11.016 -1.959 1.00 0.00 H new ATOM 0 HD3 LYS A 56 4.364 -10.919 -0.226 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.207 -10.039 -0.200 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.975 -8.544 -0.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.180 -9.476 -2.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.648 -9.042 -2.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.303 -10.676 -2.667 1.00 0.00 H new ATOM 1111 N HIS A 57 4.578 -6.282 -4.229 1.00 0.00 N ATOM 1112 CA HIS A 57 3.238 -5.671 -4.517 1.00 0.00 C ATOM 1113 C HIS A 57 2.804 -6.017 -5.944 1.00 0.00 C ATOM 1114 O HIS A 57 3.559 -5.895 -6.890 1.00 0.00 O ATOM 1115 CB HIS A 57 3.365 -4.150 -4.322 1.00 0.00 C ATOM 1116 CG HIS A 57 4.642 -3.771 -3.608 1.00 0.00 C ATOM 1117 ND1 HIS A 57 4.894 -4.104 -2.282 1.00 0.00 N ATOM 1118 CD2 HIS A 57 5.746 -3.074 -4.032 1.00 0.00 C ATOM 1119 CE1 HIS A 57 6.105 -3.607 -1.967 1.00 0.00 C ATOM 1120 NE2 HIS A 57 6.665 -2.972 -2.996 1.00 0.00 N ATOM 0 H HIS A 57 5.385 -5.720 -4.501 1.00 0.00 H new ATOM 0 HA HIS A 57 2.477 -6.062 -3.842 1.00 0.00 H new ATOM 0 HB2 HIS A 57 3.334 -3.657 -5.294 1.00 0.00 H new ATOM 0 HB3 HIS A 57 2.510 -3.786 -3.752 1.00 0.00 H new ATOM 0 HD1 HIS A 57 4.276 -4.628 -1.662 1.00 0.00 H new ATOM 0 HD2 HIS A 57 5.880 -2.666 -5.023 1.00 0.00 H new ATOM 0 HE1 HIS A 57 6.567 -3.711 -0.996 1.00 0.00 H new ATOM 1128 N CYS A 58 1.594 -6.482 -6.082 1.00 0.00 N ATOM 1129 CA CYS A 58 1.069 -6.898 -7.420 1.00 0.00 C ATOM 1130 C CYS A 58 -0.157 -6.068 -7.850 1.00 0.00 C ATOM 1131 O CYS A 58 -0.410 -4.999 -7.326 1.00 0.00 O ATOM 1132 CB CYS A 58 0.721 -8.376 -7.263 1.00 0.00 C ATOM 1133 SG CYS A 58 2.207 -9.380 -7.514 1.00 0.00 S ATOM 0 H CYS A 58 0.933 -6.595 -5.313 1.00 0.00 H new ATOM 0 HA CYS A 58 1.805 -6.732 -8.206 1.00 0.00 H new ATOM 0 HB2 CYS A 58 0.309 -8.560 -6.271 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -0.047 -8.658 -7.984 1.00 0.00 H new ATOM 0 HG CYS A 58 1.909 -10.638 -7.378 1.00 0.00 H new ATOM 1139 N ARG A 59 -0.888 -6.542 -8.840 1.00 0.00 N ATOM 1140 CA ARG A 59 -2.061 -5.775 -9.370 1.00 0.00 C ATOM 1141 C ARG A 59 -3.308 -5.867 -8.472 1.00 0.00 C ATOM 1142 O ARG A 59 -3.515 -6.810 -7.741 1.00 0.00 O ATOM 1143 CB ARG A 59 -2.360 -6.417 -10.740 1.00 0.00 C ATOM 1144 CG ARG A 59 -3.601 -7.326 -10.640 1.00 0.00 C ATOM 1145 CD ARG A 59 -3.654 -8.283 -11.832 1.00 0.00 C ATOM 1146 NE ARG A 59 -4.897 -9.089 -11.623 1.00 0.00 N ATOM 1147 CZ ARG A 59 -5.206 -10.035 -12.453 1.00 0.00 C ATOM 1148 NH1 ARG A 59 -5.536 -9.731 -13.667 1.00 0.00 N ATOM 1149 NH2 ARG A 59 -5.182 -11.273 -12.069 1.00 0.00 N ATOM 0 H ARG A 59 -0.717 -7.434 -9.304 1.00 0.00 H new ATOM 0 HA ARG A 59 -1.823 -4.713 -9.422 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.528 -5.640 -11.486 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.500 -6.998 -11.073 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.571 -7.894 -9.710 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.505 -6.718 -10.613 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -3.690 -7.738 -12.775 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -2.771 -8.921 -11.866 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.502 -8.894 -10.826 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -5.551 -8.755 -13.962 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -5.781 -10.468 -14.329 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.919 -11.505 -11.111 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -5.426 -12.015 -12.725 1.00 0.00 H new ATOM 1163 N VAL A 60 -4.149 -4.876 -8.564 1.00 0.00 N ATOM 1164 CA VAL A 60 -5.409 -4.851 -7.765 1.00 0.00 C ATOM 1165 C VAL A 60 -6.598 -4.665 -8.716 1.00 0.00 C ATOM 1166 O VAL A 60 -6.542 -3.860 -9.628 1.00 0.00 O ATOM 1167 CB VAL A 60 -5.275 -3.632 -6.845 1.00 0.00 C ATOM 1168 CG1 VAL A 60 -6.490 -3.548 -5.920 1.00 0.00 C ATOM 1169 CG2 VAL A 60 -3.998 -3.739 -6.004 1.00 0.00 C ATOM 0 H VAL A 60 -4.015 -4.067 -9.170 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.569 -5.768 -7.199 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.221 -2.733 -7.459 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.391 -2.680 -5.268 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -7.396 -3.451 -6.518 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.550 -4.452 -5.315 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.915 -2.867 -5.355 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.038 -4.642 -5.395 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.131 -3.784 -6.663 1.00 0.00 H new ATOM 1179 N GLN A 61 -7.677 -5.366 -8.505 1.00 0.00 N ATOM 1180 CA GLN A 61 -8.862 -5.188 -9.401 1.00 0.00 C ATOM 1181 C GLN A 61 -9.719 -4.063 -8.828 1.00 0.00 C ATOM 1182 O GLN A 61 -10.176 -4.151 -7.717 1.00 0.00 O ATOM 1183 CB GLN A 61 -9.605 -6.531 -9.361 1.00 0.00 C ATOM 1184 CG GLN A 61 -8.904 -7.549 -10.276 1.00 0.00 C ATOM 1185 CD GLN A 61 -7.750 -8.236 -9.530 1.00 0.00 C ATOM 1186 OE1 GLN A 61 -6.674 -8.392 -10.069 1.00 0.00 O ATOM 1187 NE2 GLN A 61 -7.922 -8.662 -8.313 1.00 0.00 N ATOM 0 H GLN A 61 -7.793 -6.050 -7.758 1.00 0.00 H new ATOM 0 HA GLN A 61 -8.602 -4.925 -10.426 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -9.635 -6.909 -8.339 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -10.638 -6.394 -9.680 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -9.621 -8.296 -10.616 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -8.522 -7.046 -11.165 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -8.823 -8.536 -7.851 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -7.156 -9.122 -7.821 1.00 0.00 H new ATOM 1196 N GLN A 62 -9.912 -2.983 -9.535 1.00 0.00 N ATOM 1197 CA GLN A 62 -10.710 -1.870 -8.933 1.00 0.00 C ATOM 1198 C GLN A 62 -11.928 -1.488 -9.766 1.00 0.00 C ATOM 1199 O GLN A 62 -11.907 -1.503 -10.982 1.00 0.00 O ATOM 1200 CB GLN A 62 -9.733 -0.693 -8.824 1.00 0.00 C ATOM 1201 CG GLN A 62 -9.617 0.023 -10.174 1.00 0.00 C ATOM 1202 CD GLN A 62 -8.391 0.930 -10.171 1.00 0.00 C ATOM 1203 OE1 GLN A 62 -7.490 0.751 -10.964 1.00 0.00 O ATOM 1204 NE2 GLN A 62 -8.317 1.907 -9.311 1.00 0.00 N ATOM 0 H GLN A 62 -9.563 -2.821 -10.480 1.00 0.00 H new ATOM 0 HA GLN A 62 -11.118 -2.171 -7.968 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -10.077 0.006 -8.062 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.753 -1.052 -8.509 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -9.539 -0.708 -10.979 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -10.515 0.610 -10.363 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -9.074 2.058 -8.644 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.502 2.520 -9.305 1.00 0.00 H new ATOM 1213 N GLU A 63 -12.982 -1.117 -9.090 1.00 0.00 N ATOM 1214 CA GLU A 63 -14.226 -0.688 -9.783 1.00 0.00 C ATOM 1215 C GLU A 63 -14.743 0.578 -9.091 1.00 0.00 C ATOM 1216 O GLU A 63 -14.592 0.729 -7.888 1.00 0.00 O ATOM 1217 CB GLU A 63 -15.189 -1.872 -9.604 1.00 0.00 C ATOM 1218 CG GLU A 63 -16.646 -1.388 -9.568 1.00 0.00 C ATOM 1219 CD GLU A 63 -17.134 -1.104 -10.991 1.00 0.00 C ATOM 1220 OE1 GLU A 63 -17.569 -2.037 -11.641 1.00 0.00 O ATOM 1221 OE2 GLU A 63 -17.063 0.043 -11.404 1.00 0.00 O ATOM 0 H GLU A 63 -13.032 -1.094 -8.071 1.00 0.00 H new ATOM 0 HA GLU A 63 -14.096 -0.450 -10.839 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -15.057 -2.581 -10.421 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -14.954 -2.402 -8.681 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -17.278 -2.143 -9.101 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -16.724 -0.487 -8.960 1.00 0.00 H new ATOM 1228 N GLY A 64 -15.355 1.487 -9.814 1.00 0.00 N ATOM 1229 CA GLY A 64 -15.873 2.715 -9.141 1.00 0.00 C ATOM 1230 C GLY A 64 -17.083 2.306 -8.309 1.00 0.00 C ATOM 1231 O GLY A 64 -18.206 2.410 -8.753 1.00 0.00 O ATOM 0 H GLY A 64 -15.515 1.432 -10.820 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -15.104 3.158 -8.508 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -16.152 3.468 -9.878 1.00 0.00 H new ATOM 1235 N GLN A 65 -16.824 1.838 -7.106 1.00 0.00 N ATOM 1236 CA GLN A 65 -17.890 1.367 -6.158 1.00 0.00 C ATOM 1237 C GLN A 65 -17.270 0.316 -5.228 1.00 0.00 C ATOM 1238 O GLN A 65 -17.536 0.295 -4.042 1.00 0.00 O ATOM 1239 CB GLN A 65 -19.010 0.726 -7.000 1.00 0.00 C ATOM 1240 CG GLN A 65 -20.072 0.117 -6.077 1.00 0.00 C ATOM 1241 CD GLN A 65 -20.525 -1.234 -6.633 1.00 0.00 C ATOM 1242 OE1 GLN A 65 -21.330 -1.295 -7.540 1.00 0.00 O ATOM 1243 NE2 GLN A 65 -20.043 -2.329 -6.122 1.00 0.00 N ATOM 0 H GLN A 65 -15.879 1.761 -6.730 1.00 0.00 H new ATOM 0 HA GLN A 65 -18.293 2.187 -5.563 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -19.465 1.476 -7.647 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -18.594 -0.045 -7.649 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -19.666 -0.010 -5.073 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -20.925 0.791 -5.993 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -19.367 -2.282 -5.360 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -20.341 -3.235 -6.483 1.00 0.00 H new ATOM 1252 N THR A 66 -16.436 -0.565 -5.759 1.00 0.00 N ATOM 1253 CA THR A 66 -15.803 -1.613 -4.890 1.00 0.00 C ATOM 1254 C THR A 66 -14.551 -2.244 -5.545 1.00 0.00 C ATOM 1255 O THR A 66 -14.655 -3.012 -6.483 1.00 0.00 O ATOM 1256 CB THR A 66 -16.876 -2.704 -4.701 1.00 0.00 C ATOM 1257 OG1 THR A 66 -18.123 -2.130 -4.323 1.00 0.00 O ATOM 1258 CG2 THR A 66 -16.429 -3.681 -3.613 1.00 0.00 C ATOM 0 H THR A 66 -16.173 -0.599 -6.744 1.00 0.00 H new ATOM 0 HA THR A 66 -15.474 -1.168 -3.951 1.00 0.00 H new ATOM 0 HB THR A 66 -17.001 -3.227 -5.649 1.00 0.00 H new ATOM 0 HG1 THR A 66 -17.964 -1.292 -3.840 1.00 0.00 H new ATOM 0 HG21 THR A 66 -17.189 -4.451 -3.481 1.00 0.00 H new ATOM 0 HG22 THR A 66 -15.488 -4.146 -3.906 1.00 0.00 H new ATOM 0 HG23 THR A 66 -16.291 -3.143 -2.675 1.00 0.00 H new ATOM 1266 N VAL A 67 -13.376 -1.954 -5.032 1.00 0.00 N ATOM 1267 CA VAL A 67 -12.115 -2.564 -5.584 1.00 0.00 C ATOM 1268 C VAL A 67 -11.934 -3.987 -5.018 1.00 0.00 C ATOM 1269 O VAL A 67 -12.457 -4.332 -3.972 1.00 0.00 O ATOM 1270 CB VAL A 67 -10.973 -1.644 -5.109 1.00 0.00 C ATOM 1271 CG1 VAL A 67 -9.624 -2.111 -5.673 1.00 0.00 C ATOM 1272 CG2 VAL A 67 -11.240 -0.208 -5.571 1.00 0.00 C ATOM 0 H VAL A 67 -13.233 -1.316 -4.249 1.00 0.00 H new ATOM 0 HA VAL A 67 -12.137 -2.647 -6.671 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.933 -1.684 -4.020 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.834 -1.446 -5.324 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.420 -3.127 -5.334 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.659 -2.092 -6.762 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.431 0.439 -5.233 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -11.297 -0.180 -6.659 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -12.183 0.140 -5.150 1.00 0.00 H new ATOM 1282 N MET A 68 -11.205 -4.818 -5.708 1.00 0.00 N ATOM 1283 CA MET A 68 -10.992 -6.217 -5.238 1.00 0.00 C ATOM 1284 C MET A 68 -9.503 -6.605 -5.328 1.00 0.00 C ATOM 1285 O MET A 68 -8.892 -6.545 -6.378 1.00 0.00 O ATOM 1286 CB MET A 68 -11.828 -7.078 -6.197 1.00 0.00 C ATOM 1287 CG MET A 68 -13.300 -6.640 -6.161 1.00 0.00 C ATOM 1288 SD MET A 68 -13.942 -6.542 -7.848 1.00 0.00 S ATOM 1289 CE MET A 68 -15.407 -7.571 -7.588 1.00 0.00 C ATOM 0 H MET A 68 -10.742 -4.586 -6.587 1.00 0.00 H new ATOM 0 HA MET A 68 -11.283 -6.349 -4.196 1.00 0.00 H new ATOM 0 HB2 MET A 68 -11.439 -6.987 -7.211 1.00 0.00 H new ATOM 0 HB3 MET A 68 -11.747 -8.129 -5.918 1.00 0.00 H new ATOM 0 HG2 MET A 68 -13.887 -7.349 -5.578 1.00 0.00 H new ATOM 0 HG3 MET A 68 -13.390 -5.671 -5.669 1.00 0.00 H new ATOM 0 HE1 MET A 68 -15.967 -7.650 -8.520 1.00 0.00 H new ATOM 0 HE2 MET A 68 -15.100 -8.565 -7.264 1.00 0.00 H new ATOM 0 HE3 MET A 68 -16.038 -7.119 -6.823 1.00 0.00 H new ATOM 1299 N LEU A 69 -8.932 -7.025 -4.234 1.00 0.00 N ATOM 1300 CA LEU A 69 -7.495 -7.455 -4.223 1.00 0.00 C ATOM 1301 C LEU A 69 -7.402 -8.910 -4.712 1.00 0.00 C ATOM 1302 O LEU A 69 -8.350 -9.443 -5.261 1.00 0.00 O ATOM 1303 CB LEU A 69 -7.030 -7.326 -2.762 1.00 0.00 C ATOM 1304 CG LEU A 69 -5.643 -6.669 -2.721 1.00 0.00 C ATOM 1305 CD1 LEU A 69 -5.689 -5.329 -3.453 1.00 0.00 C ATOM 1306 CD2 LEU A 69 -5.218 -6.431 -1.267 1.00 0.00 C ATOM 0 H LEU A 69 -9.402 -7.091 -3.331 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.869 -6.850 -4.879 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.743 -6.729 -2.194 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.992 -8.309 -2.293 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.925 -7.331 -3.205 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.704 -4.864 -3.423 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.982 -5.491 -4.490 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.414 -4.675 -2.969 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.233 -5.965 -1.248 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.940 -5.775 -0.780 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.179 -7.384 -0.739 1.00 0.00 H new ATOM 1318 N GLY A 70 -6.280 -9.559 -4.541 1.00 0.00 N ATOM 1319 CA GLY A 70 -6.172 -10.968 -5.029 1.00 0.00 C ATOM 1320 C GLY A 70 -6.779 -11.877 -3.968 1.00 0.00 C ATOM 1321 O GLY A 70 -6.129 -12.274 -3.022 1.00 0.00 O ATOM 0 H GLY A 70 -5.445 -9.183 -4.092 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -6.696 -11.085 -5.977 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -5.129 -11.232 -5.207 1.00 0.00 H new ATOM 1325 N ASN A 71 -8.058 -12.158 -4.133 1.00 0.00 N ATOM 1326 CA ASN A 71 -8.843 -13.002 -3.170 1.00 0.00 C ATOM 1327 C ASN A 71 -9.344 -12.131 -2.004 1.00 0.00 C ATOM 1328 O ASN A 71 -9.349 -12.547 -0.858 1.00 0.00 O ATOM 1329 CB ASN A 71 -7.905 -14.114 -2.677 1.00 0.00 C ATOM 1330 CG ASN A 71 -8.713 -15.386 -2.428 1.00 0.00 C ATOM 1331 OD1 ASN A 71 -8.633 -16.325 -3.187 1.00 0.00 O ATOM 1332 ND2 ASN A 71 -9.500 -15.455 -1.394 1.00 0.00 N ATOM 0 H ASN A 71 -8.606 -11.823 -4.926 1.00 0.00 H new ATOM 0 HA ASN A 71 -9.720 -13.441 -3.645 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -7.127 -14.303 -3.417 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -7.404 -13.803 -1.760 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -10.047 -16.299 -1.225 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -9.570 -14.665 -0.752 1.00 0.00 H new ATOM 1339 N SER A 72 -9.772 -10.918 -2.288 1.00 0.00 N ATOM 1340 CA SER A 72 -10.275 -10.021 -1.194 1.00 0.00 C ATOM 1341 C SER A 72 -11.058 -8.822 -1.766 1.00 0.00 C ATOM 1342 O SER A 72 -10.520 -8.007 -2.494 1.00 0.00 O ATOM 1343 CB SER A 72 -9.014 -9.538 -0.467 1.00 0.00 C ATOM 1344 OG SER A 72 -8.704 -10.436 0.597 1.00 0.00 O ATOM 0 H SER A 72 -9.794 -10.514 -3.224 1.00 0.00 H new ATOM 0 HA SER A 72 -10.963 -10.546 -0.531 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.178 -9.482 -1.165 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.170 -8.533 -0.075 1.00 0.00 H new ATOM 0 HG SER A 72 -9.016 -11.336 0.367 1.00 0.00 H new ATOM 1350 N GLU A 73 -12.322 -8.707 -1.417 1.00 0.00 N ATOM 1351 CA GLU A 73 -13.159 -7.561 -1.910 1.00 0.00 C ATOM 1352 C GLU A 73 -13.088 -6.400 -0.910 1.00 0.00 C ATOM 1353 O GLU A 73 -13.316 -6.580 0.273 1.00 0.00 O ATOM 1354 CB GLU A 73 -14.590 -8.107 -1.991 1.00 0.00 C ATOM 1355 CG GLU A 73 -15.099 -8.000 -3.432 1.00 0.00 C ATOM 1356 CD GLU A 73 -14.655 -9.225 -4.233 1.00 0.00 C ATOM 1357 OE1 GLU A 73 -13.464 -9.357 -4.468 1.00 0.00 O ATOM 1358 OE2 GLU A 73 -15.514 -10.006 -4.601 1.00 0.00 O ATOM 0 H GLU A 73 -12.812 -9.362 -0.808 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.816 -7.185 -2.874 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -14.613 -9.146 -1.663 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -15.242 -7.547 -1.321 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -16.186 -7.925 -3.438 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -14.714 -7.092 -3.896 1.00 0.00 H new ATOM 1365 N PHE A 74 -12.754 -5.218 -1.362 1.00 0.00 N ATOM 1366 CA PHE A 74 -12.645 -4.063 -0.415 1.00 0.00 C ATOM 1367 C PHE A 74 -13.298 -2.803 -0.996 1.00 0.00 C ATOM 1368 O PHE A 74 -13.295 -2.590 -2.194 1.00 0.00 O ATOM 1369 CB PHE A 74 -11.138 -3.850 -0.262 1.00 0.00 C ATOM 1370 CG PHE A 74 -10.627 -4.670 0.896 1.00 0.00 C ATOM 1371 CD1 PHE A 74 -10.533 -6.062 0.792 1.00 0.00 C ATOM 1372 CD2 PHE A 74 -10.257 -4.032 2.073 1.00 0.00 C ATOM 1373 CE1 PHE A 74 -10.063 -6.816 1.873 1.00 0.00 C ATOM 1374 CE2 PHE A 74 -9.787 -4.781 3.159 1.00 0.00 C ATOM 1375 CZ PHE A 74 -9.689 -6.174 3.059 1.00 0.00 C ATOM 0 H PHE A 74 -12.553 -5.002 -2.338 1.00 0.00 H new ATOM 0 HA PHE A 74 -13.150 -4.260 0.531 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -10.625 -4.138 -1.179 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -10.925 -2.794 -0.095 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -10.824 -6.555 -0.124 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -10.332 -2.957 2.151 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -9.989 -7.890 1.792 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.500 -4.284 4.074 1.00 0.00 H new ATOM 0 HZ PHE A 74 -9.325 -6.752 3.896 1.00 0.00 H new ATOM 1385 N ASP A 75 -13.831 -1.943 -0.166 1.00 0.00 N ATOM 1386 CA ASP A 75 -14.437 -0.700 -0.714 1.00 0.00 C ATOM 1387 C ASP A 75 -13.331 0.344 -0.881 1.00 0.00 C ATOM 1388 O ASP A 75 -12.880 0.943 0.067 1.00 0.00 O ATOM 1389 CB ASP A 75 -15.463 -0.255 0.332 1.00 0.00 C ATOM 1390 CG ASP A 75 -16.201 0.983 -0.177 1.00 0.00 C ATOM 1391 OD1 ASP A 75 -15.698 2.078 0.034 1.00 0.00 O ATOM 1392 OD2 ASP A 75 -17.252 0.816 -0.773 1.00 0.00 O ATOM 0 H ASP A 75 -13.872 -2.047 0.848 1.00 0.00 H new ATOM 0 HA ASP A 75 -14.911 -0.841 -1.685 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -16.172 -1.060 0.528 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -14.964 -0.033 1.275 1.00 0.00 H new ATOM 1397 N SER A 76 -12.904 0.546 -2.097 1.00 0.00 N ATOM 1398 CA SER A 76 -11.811 1.524 -2.404 1.00 0.00 C ATOM 1399 C SER A 76 -10.478 0.963 -1.885 1.00 0.00 C ATOM 1400 O SER A 76 -10.332 0.700 -0.712 1.00 0.00 O ATOM 1401 CB SER A 76 -12.188 2.829 -1.687 1.00 0.00 C ATOM 1402 OG SER A 76 -13.526 3.189 -2.027 1.00 0.00 O ATOM 0 H SER A 76 -13.275 0.063 -2.915 1.00 0.00 H new ATOM 0 HA SER A 76 -11.697 1.702 -3.473 1.00 0.00 H new ATOM 0 HB2 SER A 76 -12.097 2.703 -0.608 1.00 0.00 H new ATOM 0 HB3 SER A 76 -11.502 3.626 -1.974 1.00 0.00 H new ATOM 0 HG SER A 76 -14.137 2.874 -1.328 1.00 0.00 H new ATOM 1408 N LEU A 77 -9.511 0.756 -2.756 1.00 0.00 N ATOM 1409 CA LEU A 77 -8.175 0.190 -2.323 1.00 0.00 C ATOM 1410 C LEU A 77 -7.772 0.717 -0.936 1.00 0.00 C ATOM 1411 O LEU A 77 -7.320 -0.028 -0.082 1.00 0.00 O ATOM 1412 CB LEU A 77 -7.182 0.671 -3.382 1.00 0.00 C ATOM 1413 CG LEU A 77 -6.559 -0.526 -4.098 1.00 0.00 C ATOM 1414 CD1 LEU A 77 -6.205 -0.121 -5.528 1.00 0.00 C ATOM 1415 CD2 LEU A 77 -5.287 -0.959 -3.365 1.00 0.00 C ATOM 0 H LEU A 77 -9.586 0.954 -3.754 1.00 0.00 H new ATOM 0 HA LEU A 77 -8.206 -0.897 -2.243 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.689 1.312 -4.103 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.402 1.272 -2.914 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.267 -1.354 -4.111 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.759 -0.970 -6.047 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.108 0.191 -6.052 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.494 0.705 -5.507 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.844 -1.813 -3.878 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.575 -0.134 -3.353 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.535 -1.239 -2.341 1.00 0.00 H new ATOM 1427 N VAL A 78 -7.961 1.992 -0.709 1.00 0.00 N ATOM 1428 CA VAL A 78 -7.632 2.600 0.615 1.00 0.00 C ATOM 1429 C VAL A 78 -8.223 1.767 1.767 1.00 0.00 C ATOM 1430 O VAL A 78 -7.734 1.806 2.868 1.00 0.00 O ATOM 1431 CB VAL A 78 -8.288 3.980 0.562 1.00 0.00 C ATOM 1432 CG1 VAL A 78 -9.810 3.821 0.434 1.00 0.00 C ATOM 1433 CG2 VAL A 78 -7.950 4.749 1.839 1.00 0.00 C ATOM 0 H VAL A 78 -8.335 2.647 -1.396 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.558 2.647 0.795 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.914 4.532 -0.301 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.277 4.805 0.396 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.043 3.274 -0.479 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.192 3.271 1.294 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -8.416 5.734 1.805 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -8.324 4.200 2.704 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.869 4.862 1.920 1.00 0.00 H new ATOM 1443 N ASP A 79 -9.265 1.016 1.505 1.00 0.00 N ATOM 1444 CA ASP A 79 -9.896 0.165 2.556 1.00 0.00 C ATOM 1445 C ASP A 79 -8.877 -0.868 3.066 1.00 0.00 C ATOM 1446 O ASP A 79 -8.484 -0.851 4.224 1.00 0.00 O ATOM 1447 CB ASP A 79 -11.061 -0.514 1.836 1.00 0.00 C ATOM 1448 CG ASP A 79 -12.009 -1.197 2.835 1.00 0.00 C ATOM 1449 OD1 ASP A 79 -11.589 -1.470 3.949 1.00 0.00 O ATOM 1450 OD2 ASP A 79 -13.141 -1.447 2.458 1.00 0.00 O ATOM 0 H ASP A 79 -9.711 0.958 0.590 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.230 0.728 3.427 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -11.612 0.224 1.254 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -10.677 -1.252 1.132 1.00 0.00 H new ATOM 1455 N LEU A 80 -8.427 -1.751 2.198 1.00 0.00 N ATOM 1456 CA LEU A 80 -7.406 -2.765 2.636 1.00 0.00 C ATOM 1457 C LEU A 80 -6.126 -2.030 3.031 1.00 0.00 C ATOM 1458 O LEU A 80 -5.460 -2.405 3.980 1.00 0.00 O ATOM 1459 CB LEU A 80 -7.142 -3.805 1.504 1.00 0.00 C ATOM 1460 CG LEU A 80 -7.424 -3.279 0.089 1.00 0.00 C ATOM 1461 CD1 LEU A 80 -6.197 -2.553 -0.457 1.00 0.00 C ATOM 1462 CD2 LEU A 80 -7.740 -4.462 -0.826 1.00 0.00 C ATOM 0 H LEU A 80 -8.716 -1.814 1.222 1.00 0.00 H new ATOM 0 HA LEU A 80 -7.779 -3.320 3.497 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.103 -4.129 1.559 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.760 -4.685 1.683 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.266 -2.588 0.127 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.409 -2.185 -1.461 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.952 -1.713 0.193 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.353 -3.242 -0.494 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.942 -4.099 -1.834 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.888 -5.142 -0.849 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.616 -4.990 -0.449 1.00 0.00 H new ATOM 1474 N ILE A 81 -5.803 -0.947 2.356 1.00 0.00 N ATOM 1475 CA ILE A 81 -4.595 -0.172 2.770 1.00 0.00 C ATOM 1476 C ILE A 81 -4.860 0.380 4.175 1.00 0.00 C ATOM 1477 O ILE A 81 -3.963 0.517 4.989 1.00 0.00 O ATOM 1478 CB ILE A 81 -4.418 0.958 1.747 1.00 0.00 C ATOM 1479 CG1 ILE A 81 -4.232 0.376 0.340 1.00 0.00 C ATOM 1480 CG2 ILE A 81 -3.176 1.753 2.110 1.00 0.00 C ATOM 1481 CD1 ILE A 81 -3.115 -0.676 0.354 1.00 0.00 C ATOM 0 H ILE A 81 -6.314 -0.576 1.555 1.00 0.00 H new ATOM 0 HA ILE A 81 -3.688 -0.777 2.798 1.00 0.00 H new ATOM 0 HB ILE A 81 -5.303 1.594 1.759 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -5.163 -0.074 -0.003 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -3.985 1.172 -0.363 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -3.038 2.560 1.391 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -3.292 2.173 3.109 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -2.306 1.097 2.091 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -2.988 -1.085 -0.648 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.183 -0.213 0.677 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -3.379 -1.478 1.043 1.00 0.00 H new ATOM 1493 N SER A 82 -6.110 0.650 4.479 1.00 0.00 N ATOM 1494 CA SER A 82 -6.462 1.133 5.839 1.00 0.00 C ATOM 1495 C SER A 82 -6.271 -0.032 6.804 1.00 0.00 C ATOM 1496 O SER A 82 -5.654 0.105 7.839 1.00 0.00 O ATOM 1497 CB SER A 82 -7.930 1.580 5.782 1.00 0.00 C ATOM 1498 OG SER A 82 -8.753 0.658 6.496 1.00 0.00 O ATOM 0 H SER A 82 -6.897 0.554 3.837 1.00 0.00 H new ATOM 0 HA SER A 82 -5.843 1.966 6.173 1.00 0.00 H new ATOM 0 HB2 SER A 82 -8.031 2.577 6.211 1.00 0.00 H new ATOM 0 HB3 SER A 82 -8.258 1.644 4.745 1.00 0.00 H new ATOM 0 HG SER A 82 -8.914 -0.134 5.942 1.00 0.00 H new ATOM 1504 N TYR A 83 -6.756 -1.200 6.440 1.00 0.00 N ATOM 1505 CA TYR A 83 -6.554 -2.392 7.311 1.00 0.00 C ATOM 1506 C TYR A 83 -5.053 -2.557 7.537 1.00 0.00 C ATOM 1507 O TYR A 83 -4.598 -2.700 8.655 1.00 0.00 O ATOM 1508 CB TYR A 83 -7.132 -3.582 6.536 1.00 0.00 C ATOM 1509 CG TYR A 83 -8.581 -3.780 6.924 1.00 0.00 C ATOM 1510 CD1 TYR A 83 -8.906 -4.544 8.052 1.00 0.00 C ATOM 1511 CD2 TYR A 83 -9.601 -3.197 6.159 1.00 0.00 C ATOM 1512 CE1 TYR A 83 -10.248 -4.727 8.413 1.00 0.00 C ATOM 1513 CE2 TYR A 83 -10.941 -3.382 6.522 1.00 0.00 C ATOM 1514 CZ TYR A 83 -11.264 -4.145 7.648 1.00 0.00 C ATOM 1515 OH TYR A 83 -12.584 -4.328 8.002 1.00 0.00 O ATOM 0 H TYR A 83 -7.279 -1.372 5.581 1.00 0.00 H new ATOM 0 HA TYR A 83 -7.040 -2.305 8.283 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -7.052 -3.405 5.463 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -6.560 -4.484 6.753 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -8.122 -4.992 8.644 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -9.354 -2.605 5.290 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -10.498 -5.318 9.282 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -11.726 -2.934 5.931 1.00 0.00 H new ATOM 0 HH TYR A 83 -13.162 -3.856 7.366 1.00 0.00 H new ATOM 1525 N TYR A 84 -4.275 -2.488 6.482 1.00 0.00 N ATOM 1526 CA TYR A 84 -2.797 -2.593 6.643 1.00 0.00 C ATOM 1527 C TYR A 84 -2.300 -1.419 7.497 1.00 0.00 C ATOM 1528 O TYR A 84 -1.419 -1.582 8.317 1.00 0.00 O ATOM 1529 CB TYR A 84 -2.216 -2.563 5.227 1.00 0.00 C ATOM 1530 CG TYR A 84 -2.155 -3.982 4.704 1.00 0.00 C ATOM 1531 CD1 TYR A 84 -1.217 -4.882 5.231 1.00 0.00 C ATOM 1532 CD2 TYR A 84 -3.044 -4.403 3.706 1.00 0.00 C ATOM 1533 CE1 TYR A 84 -1.172 -6.199 4.759 1.00 0.00 C ATOM 1534 CE2 TYR A 84 -2.995 -5.724 3.234 1.00 0.00 C ATOM 1535 CZ TYR A 84 -2.059 -6.620 3.762 1.00 0.00 C ATOM 1536 OH TYR A 84 -2.011 -7.921 3.300 1.00 0.00 O ATOM 0 H TYR A 84 -4.601 -2.364 5.524 1.00 0.00 H new ATOM 0 HA TYR A 84 -2.489 -3.506 7.152 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -2.835 -1.946 4.576 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -1.221 -2.119 5.235 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -0.531 -4.559 6.000 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -3.767 -3.711 3.300 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -0.451 -6.892 5.166 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -3.679 -6.049 2.464 1.00 0.00 H new ATOM 0 HH TYR A 84 -1.624 -8.499 3.990 1.00 0.00 H new ATOM 1546 N GLU A 85 -2.889 -0.243 7.362 1.00 0.00 N ATOM 1547 CA GLU A 85 -2.458 0.892 8.239 1.00 0.00 C ATOM 1548 C GLU A 85 -2.746 0.503 9.688 1.00 0.00 C ATOM 1549 O GLU A 85 -1.933 0.687 10.580 1.00 0.00 O ATOM 1550 CB GLU A 85 -3.327 2.093 7.848 1.00 0.00 C ATOM 1551 CG GLU A 85 -3.108 3.231 8.861 1.00 0.00 C ATOM 1552 CD GLU A 85 -4.130 3.135 9.999 1.00 0.00 C ATOM 1553 OE1 GLU A 85 -5.305 3.292 9.726 1.00 0.00 O ATOM 1554 OE2 GLU A 85 -3.713 2.915 11.128 1.00 0.00 O ATOM 0 H GLU A 85 -3.632 -0.029 6.697 1.00 0.00 H new ATOM 0 HA GLU A 85 -1.399 1.125 8.129 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -3.071 2.430 6.844 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -4.378 1.805 7.829 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.097 3.177 9.265 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -3.200 4.195 8.361 1.00 0.00 H new ATOM 1561 N LYS A 86 -3.912 -0.041 9.915 1.00 0.00 N ATOM 1562 CA LYS A 86 -4.310 -0.466 11.283 1.00 0.00 C ATOM 1563 C LYS A 86 -3.423 -1.633 11.766 1.00 0.00 C ATOM 1564 O LYS A 86 -2.979 -1.636 12.902 1.00 0.00 O ATOM 1565 CB LYS A 86 -5.778 -0.883 11.142 1.00 0.00 C ATOM 1566 CG LYS A 86 -6.688 0.325 11.435 1.00 0.00 C ATOM 1567 CD LYS A 86 -7.333 0.828 10.133 1.00 0.00 C ATOM 1568 CE LYS A 86 -8.312 -0.227 9.602 1.00 0.00 C ATOM 1569 NZ LYS A 86 -9.323 0.530 8.808 1.00 0.00 N ATOM 0 H LYS A 86 -4.615 -0.210 9.196 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.187 0.322 12.026 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -5.965 -1.257 10.135 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.003 -1.697 11.831 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.462 0.042 12.148 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.107 1.125 11.895 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.857 1.766 10.314 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -6.563 1.031 9.389 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -7.798 -0.963 8.983 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -8.783 -0.772 10.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -10.240 0.043 8.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -9.419 1.491 9.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.015 0.585 7.816 1.00 0.00 H new ATOM 1583 N HIS A 87 -3.133 -2.601 10.915 1.00 0.00 N ATOM 1584 CA HIS A 87 -2.252 -3.749 11.337 1.00 0.00 C ATOM 1585 C HIS A 87 -1.009 -3.877 10.421 1.00 0.00 C ATOM 1586 O HIS A 87 -0.864 -4.846 9.697 1.00 0.00 O ATOM 1587 CB HIS A 87 -3.136 -4.997 11.230 1.00 0.00 C ATOM 1588 CG HIS A 87 -2.932 -5.862 12.444 1.00 0.00 C ATOM 1589 ND1 HIS A 87 -1.969 -6.859 12.495 1.00 0.00 N ATOM 1590 CD2 HIS A 87 -3.563 -5.892 13.663 1.00 0.00 C ATOM 1591 CE1 HIS A 87 -2.049 -7.441 13.706 1.00 0.00 C ATOM 1592 NE2 HIS A 87 -3.005 -6.889 14.457 1.00 0.00 N ATOM 0 H HIS A 87 -3.467 -2.645 9.952 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.867 -3.604 12.346 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -4.184 -4.708 11.148 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -2.888 -5.555 10.327 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -1.318 -7.106 11.750 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -4.371 -5.240 13.961 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -1.417 -8.255 14.030 1.00 0.00 H new ATOM 1600 N PRO A 88 -0.144 -2.891 10.502 1.00 0.00 N ATOM 1601 CA PRO A 88 1.105 -2.879 9.698 1.00 0.00 C ATOM 1602 C PRO A 88 2.252 -3.585 10.450 1.00 0.00 C ATOM 1603 O PRO A 88 2.790 -4.569 9.982 1.00 0.00 O ATOM 1604 CB PRO A 88 1.389 -1.388 9.541 1.00 0.00 C ATOM 1605 CG PRO A 88 0.713 -0.719 10.706 1.00 0.00 C ATOM 1606 CD PRO A 88 -0.251 -1.696 11.332 1.00 0.00 C ATOM 0 HA PRO A 88 1.014 -3.404 8.747 1.00 0.00 H new ATOM 0 HB2 PRO A 88 2.461 -1.191 9.545 1.00 0.00 H new ATOM 0 HB3 PRO A 88 1.000 -1.013 8.595 1.00 0.00 H new ATOM 0 HG2 PRO A 88 1.453 -0.397 11.438 1.00 0.00 H new ATOM 0 HG3 PRO A 88 0.184 0.174 10.374 1.00 0.00 H new ATOM 0 HD2 PRO A 88 0.013 -1.907 12.368 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -1.268 -1.304 11.336 1.00 0.00 H new ATOM 1614 N LEU A 89 2.617 -3.086 11.614 1.00 0.00 N ATOM 1615 CA LEU A 89 3.715 -3.703 12.435 1.00 0.00 C ATOM 1616 C LEU A 89 5.089 -3.563 11.741 1.00 0.00 C ATOM 1617 O LEU A 89 5.461 -2.477 11.332 1.00 0.00 O ATOM 1618 CB LEU A 89 3.302 -5.176 12.646 1.00 0.00 C ATOM 1619 CG LEU A 89 1.987 -5.254 13.448 1.00 0.00 C ATOM 1620 CD1 LEU A 89 1.884 -4.077 14.425 1.00 0.00 C ATOM 1621 CD2 LEU A 89 0.790 -5.211 12.495 1.00 0.00 C ATOM 0 H LEU A 89 2.191 -2.261 12.036 1.00 0.00 H new ATOM 0 HA LEU A 89 3.836 -3.198 13.393 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.177 -5.667 11.681 1.00 0.00 H new ATOM 0 HB3 LEU A 89 4.091 -5.710 13.176 1.00 0.00 H new ATOM 0 HG LEU A 89 1.983 -6.190 14.007 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.950 -4.148 14.983 1.00 0.00 H new ATOM 0 HD12 LEU A 89 2.724 -4.106 15.119 1.00 0.00 H new ATOM 0 HD13 LEU A 89 1.904 -3.140 13.869 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.135 -5.267 13.069 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.810 -4.280 11.928 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.841 -6.056 11.808 1.00 0.00 H new ATOM 1633 N TYR A 90 5.861 -4.631 11.633 1.00 0.00 N ATOM 1634 CA TYR A 90 7.224 -4.536 10.995 1.00 0.00 C ATOM 1635 C TYR A 90 8.114 -3.549 11.788 1.00 0.00 C ATOM 1636 O TYR A 90 7.921 -3.353 12.973 1.00 0.00 O ATOM 1637 CB TYR A 90 6.965 -4.048 9.561 1.00 0.00 C ATOM 1638 CG TYR A 90 6.653 -5.222 8.663 1.00 0.00 C ATOM 1639 CD1 TYR A 90 7.674 -6.089 8.249 1.00 0.00 C ATOM 1640 CD2 TYR A 90 5.341 -5.430 8.226 1.00 0.00 C ATOM 1641 CE1 TYR A 90 7.378 -7.163 7.403 1.00 0.00 C ATOM 1642 CE2 TYR A 90 5.048 -6.500 7.376 1.00 0.00 C ATOM 1643 CZ TYR A 90 6.067 -7.366 6.965 1.00 0.00 C ATOM 1644 OH TYR A 90 5.780 -8.414 6.113 1.00 0.00 O ATOM 0 H TYR A 90 5.605 -5.563 11.959 1.00 0.00 H new ATOM 0 HA TYR A 90 7.755 -5.488 10.992 1.00 0.00 H new ATOM 0 HB2 TYR A 90 6.134 -3.343 9.553 1.00 0.00 H new ATOM 0 HB3 TYR A 90 7.839 -3.515 9.186 1.00 0.00 H new ATOM 0 HD1 TYR A 90 8.688 -5.928 8.583 1.00 0.00 H new ATOM 0 HD2 TYR A 90 4.554 -4.763 8.546 1.00 0.00 H new ATOM 0 HE1 TYR A 90 8.163 -7.835 7.089 1.00 0.00 H new ATOM 0 HE2 TYR A 90 4.035 -6.658 7.036 1.00 0.00 H new ATOM 0 HH TYR A 90 5.062 -8.960 6.496 1.00 0.00 H new ATOM 1654 N ARG A 91 9.095 -2.943 11.157 1.00 0.00 N ATOM 1655 CA ARG A 91 9.994 -1.989 11.895 1.00 0.00 C ATOM 1656 C ARG A 91 9.286 -0.644 12.144 1.00 0.00 C ATOM 1657 O ARG A 91 8.838 -0.364 13.237 1.00 0.00 O ATOM 1658 CB ARG A 91 11.213 -1.794 10.980 1.00 0.00 C ATOM 1659 CG ARG A 91 11.984 -3.107 10.846 1.00 0.00 C ATOM 1660 CD ARG A 91 12.794 -3.365 12.117 1.00 0.00 C ATOM 1661 NE ARG A 91 12.620 -4.823 12.364 1.00 0.00 N ATOM 1662 CZ ARG A 91 11.885 -5.239 13.347 1.00 0.00 C ATOM 1663 NH1 ARG A 91 12.222 -4.973 14.568 1.00 0.00 N ATOM 1664 NH2 ARG A 91 10.816 -5.923 13.098 1.00 0.00 N ATOM 0 H ARG A 91 9.313 -3.066 10.168 1.00 0.00 H new ATOM 0 HA ARG A 91 10.274 -2.377 12.875 1.00 0.00 H new ATOM 0 HB2 ARG A 91 10.889 -1.452 9.997 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.864 -1.021 11.388 1.00 0.00 H new ATOM 0 HG2 ARG A 91 11.291 -3.930 10.672 1.00 0.00 H new ATOM 0 HG3 ARG A 91 12.649 -3.063 9.983 1.00 0.00 H new ATOM 0 HD2 ARG A 91 13.844 -3.106 11.981 1.00 0.00 H new ATOM 0 HD3 ARG A 91 12.425 -2.771 12.953 1.00 0.00 H new ATOM 0 HE ARG A 91 13.082 -5.499 11.756 1.00 0.00 H new ATOM 0 HH11 ARG A 91 13.067 -4.435 14.758 1.00 0.00 H new ATOM 0 HH12 ARG A 91 11.642 -5.301 15.340 1.00 0.00 H new ATOM 0 HH21 ARG A 91 10.557 -6.131 12.134 1.00 0.00 H new ATOM 0 HH22 ARG A 91 10.232 -6.254 13.866 1.00 0.00 H new ATOM 1678 N LYS A 92 9.193 0.186 11.135 1.00 0.00 N ATOM 1679 CA LYS A 92 8.524 1.518 11.291 1.00 0.00 C ATOM 1680 C LYS A 92 7.394 1.645 10.263 1.00 0.00 C ATOM 1681 O LYS A 92 7.422 2.494 9.379 1.00 0.00 O ATOM 1682 CB LYS A 92 9.629 2.553 11.028 1.00 0.00 C ATOM 1683 CG LYS A 92 10.287 2.301 9.658 1.00 0.00 C ATOM 1684 CD LYS A 92 10.919 3.608 9.153 1.00 0.00 C ATOM 1685 CE LYS A 92 9.846 4.701 8.991 1.00 0.00 C ATOM 1686 NZ LYS A 92 8.789 4.100 8.125 1.00 0.00 N ATOM 0 H LYS A 92 9.555 -0.003 10.200 1.00 0.00 H new ATOM 0 HA LYS A 92 8.078 1.656 12.276 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.209 3.558 11.057 1.00 0.00 H new ATOM 0 HB3 LYS A 92 10.381 2.499 11.815 1.00 0.00 H new ATOM 0 HG2 LYS A 92 11.047 1.525 9.744 1.00 0.00 H new ATOM 0 HG3 LYS A 92 9.545 1.943 8.945 1.00 0.00 H new ATOM 0 HD2 LYS A 92 11.684 3.943 9.853 1.00 0.00 H new ATOM 0 HD3 LYS A 92 11.415 3.433 8.198 1.00 0.00 H new ATOM 0 HE2 LYS A 92 9.439 4.997 9.958 1.00 0.00 H new ATOM 0 HE3 LYS A 92 10.265 5.597 8.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 8.374 4.838 7.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 9.209 3.359 7.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 8.046 3.684 8.722 1.00 0.00 H new ATOM 1700 N MET A 93 6.417 0.783 10.351 1.00 0.00 N ATOM 1701 CA MET A 93 5.296 0.808 9.366 1.00 0.00 C ATOM 1702 C MET A 93 3.950 0.992 10.077 1.00 0.00 C ATOM 1703 O MET A 93 3.597 0.252 10.975 1.00 0.00 O ATOM 1704 CB MET A 93 5.359 -0.554 8.652 1.00 0.00 C ATOM 1705 CG MET A 93 6.806 -1.066 8.630 1.00 0.00 C ATOM 1706 SD MET A 93 7.113 -2.007 7.119 1.00 0.00 S ATOM 1707 CE MET A 93 8.916 -1.853 7.151 1.00 0.00 C ATOM 0 H MET A 93 6.346 0.059 11.066 1.00 0.00 H new ATOM 0 HA MET A 93 5.387 1.638 8.665 1.00 0.00 H new ATOM 0 HB2 MET A 93 4.718 -1.272 9.163 1.00 0.00 H new ATOM 0 HB3 MET A 93 4.982 -0.458 7.634 1.00 0.00 H new ATOM 0 HG2 MET A 93 7.498 -0.226 8.690 1.00 0.00 H new ATOM 0 HG3 MET A 93 6.990 -1.694 9.502 1.00 0.00 H new ATOM 0 HE1 MET A 93 9.302 -1.882 6.132 1.00 0.00 H new ATOM 0 HE2 MET A 93 9.192 -0.907 7.617 1.00 0.00 H new ATOM 0 HE3 MET A 93 9.341 -2.677 7.724 1.00 0.00 H new ATOM 1717 N LYS A 94 3.207 1.987 9.674 1.00 0.00 N ATOM 1718 CA LYS A 94 1.875 2.264 10.300 1.00 0.00 C ATOM 1719 C LYS A 94 1.128 3.337 9.488 1.00 0.00 C ATOM 1720 O LYS A 94 0.277 4.036 10.011 1.00 0.00 O ATOM 1721 CB LYS A 94 2.211 2.787 11.706 1.00 0.00 C ATOM 1722 CG LYS A 94 1.564 1.905 12.777 1.00 0.00 C ATOM 1723 CD LYS A 94 0.042 2.059 12.731 1.00 0.00 C ATOM 1724 CE LYS A 94 -0.601 0.963 13.585 1.00 0.00 C ATOM 1725 NZ LYS A 94 -1.943 0.744 12.977 1.00 0.00 N ATOM 0 H LYS A 94 3.468 2.631 8.927 1.00 0.00 H new ATOM 0 HA LYS A 94 1.232 1.384 10.332 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.292 2.804 11.845 1.00 0.00 H new ATOM 0 HB3 LYS A 94 1.860 3.814 11.812 1.00 0.00 H new ATOM 0 HG2 LYS A 94 1.838 0.862 12.615 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.936 2.183 13.763 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -0.247 3.042 13.102 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.312 1.990 11.702 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -0.006 0.050 13.570 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -0.685 1.272 14.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -2.277 -0.213 13.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -2.613 1.445 13.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -1.877 0.848 11.944 1.00 0.00 H new ATOM 1739 N LEU A 95 1.447 3.474 8.215 1.00 0.00 N ATOM 1740 CA LEU A 95 0.782 4.508 7.362 1.00 0.00 C ATOM 1741 C LEU A 95 0.834 5.867 8.076 1.00 0.00 C ATOM 1742 O LEU A 95 -0.136 6.610 8.123 1.00 0.00 O ATOM 1743 CB LEU A 95 -0.655 4.012 7.174 1.00 0.00 C ATOM 1744 CG LEU A 95 -0.728 3.033 5.994 1.00 0.00 C ATOM 1745 CD1 LEU A 95 -0.668 3.805 4.678 1.00 0.00 C ATOM 1746 CD2 LEU A 95 0.434 2.044 6.051 1.00 0.00 C ATOM 0 H LEU A 95 2.145 2.907 7.733 1.00 0.00 H new ATOM 0 HA LEU A 95 1.269 4.646 6.396 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.000 3.522 8.084 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -1.319 4.858 6.996 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.667 2.484 6.056 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.720 3.106 3.843 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.508 4.498 4.624 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.267 4.363 4.626 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.368 1.356 5.208 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.377 2.588 6.003 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.387 1.481 6.983 1.00 0.00 H new ATOM 1758 N ARG A 96 1.973 6.177 8.648 1.00 0.00 N ATOM 1759 CA ARG A 96 2.143 7.464 9.390 1.00 0.00 C ATOM 1760 C ARG A 96 3.616 7.917 9.360 1.00 0.00 C ATOM 1761 O ARG A 96 4.082 8.571 10.272 1.00 0.00 O ATOM 1762 CB ARG A 96 1.725 7.129 10.827 1.00 0.00 C ATOM 1763 CG ARG A 96 0.341 7.709 11.123 1.00 0.00 C ATOM 1764 CD ARG A 96 -0.448 6.719 11.983 1.00 0.00 C ATOM 1765 NE ARG A 96 -1.073 5.782 11.002 1.00 0.00 N ATOM 1766 CZ ARG A 96 -2.244 6.040 10.511 1.00 0.00 C ATOM 1767 NH1 ARG A 96 -3.309 5.805 11.206 1.00 0.00 N ATOM 1768 NH2 ARG A 96 -2.352 6.515 9.313 1.00 0.00 N ATOM 0 H ARG A 96 2.803 5.584 8.631 1.00 0.00 H new ATOM 0 HA ARG A 96 1.556 8.273 8.956 1.00 0.00 H new ATOM 0 HB2 ARG A 96 1.712 6.048 10.967 1.00 0.00 H new ATOM 0 HB3 ARG A 96 2.454 7.533 11.529 1.00 0.00 H new ATOM 0 HG2 ARG A 96 0.437 8.663 11.641 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -0.191 7.904 10.192 1.00 0.00 H new ATOM 0 HD2 ARG A 96 0.204 6.189 12.677 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -1.203 7.228 12.581 1.00 0.00 H new ATOM 0 HE ARG A 96 -0.577 4.937 10.718 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -3.229 5.415 12.145 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -4.229 6.010 10.815 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -1.516 6.686 8.755 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -3.274 6.718 8.926 1.00 0.00 H new ATOM 1782 N TYR A 97 4.355 7.576 8.328 1.00 0.00 N ATOM 1783 CA TYR A 97 5.785 7.990 8.262 1.00 0.00 C ATOM 1784 C TYR A 97 6.176 8.214 6.802 1.00 0.00 C ATOM 1785 O TYR A 97 5.697 7.517 5.927 1.00 0.00 O ATOM 1786 CB TYR A 97 6.565 6.808 8.845 1.00 0.00 C ATOM 1787 CG TYR A 97 7.580 7.304 9.849 1.00 0.00 C ATOM 1788 CD1 TYR A 97 8.864 7.670 9.429 1.00 0.00 C ATOM 1789 CD2 TYR A 97 7.236 7.393 11.202 1.00 0.00 C ATOM 1790 CE1 TYR A 97 9.803 8.126 10.365 1.00 0.00 C ATOM 1791 CE2 TYR A 97 8.174 7.848 12.136 1.00 0.00 C ATOM 1792 CZ TYR A 97 9.456 8.214 11.720 1.00 0.00 C ATOM 1793 OH TYR A 97 10.374 8.659 12.653 1.00 0.00 O ATOM 0 H TYR A 97 4.025 7.030 7.532 1.00 0.00 H new ATOM 0 HA TYR A 97 5.984 8.914 8.805 1.00 0.00 H new ATOM 0 HB2 TYR A 97 5.879 6.109 9.324 1.00 0.00 H new ATOM 0 HB3 TYR A 97 7.068 6.264 8.046 1.00 0.00 H new ATOM 0 HD1 TYR A 97 9.131 7.601 8.385 1.00 0.00 H new ATOM 0 HD2 TYR A 97 6.245 7.110 11.526 1.00 0.00 H new ATOM 0 HE1 TYR A 97 10.794 8.409 10.042 1.00 0.00 H new ATOM 0 HE2 TYR A 97 7.906 7.916 13.180 1.00 0.00 H new ATOM 0 HH TYR A 97 10.961 9.327 12.241 1.00 0.00 H new ATOM 1803 N PRO A 98 7.038 9.166 6.575 1.00 0.00 N ATOM 1804 CA PRO A 98 7.477 9.445 5.202 1.00 0.00 C ATOM 1805 C PRO A 98 8.710 8.595 4.917 1.00 0.00 C ATOM 1806 O PRO A 98 8.996 7.635 5.617 1.00 0.00 O ATOM 1807 CB PRO A 98 7.871 10.914 5.255 1.00 0.00 C ATOM 1808 CG PRO A 98 8.277 11.155 6.677 1.00 0.00 C ATOM 1809 CD PRO A 98 7.664 10.072 7.538 1.00 0.00 C ATOM 0 HA PRO A 98 6.728 9.233 4.439 1.00 0.00 H new ATOM 0 HB2 PRO A 98 8.690 11.128 4.569 1.00 0.00 H new ATOM 0 HB3 PRO A 98 7.039 11.557 4.968 1.00 0.00 H new ATOM 0 HG2 PRO A 98 9.363 11.143 6.769 1.00 0.00 H new ATOM 0 HG3 PRO A 98 7.940 12.138 7.006 1.00 0.00 H new ATOM 0 HD2 PRO A 98 8.420 9.561 8.134 1.00 0.00 H new ATOM 0 HD3 PRO A 98 6.932 10.482 8.234 1.00 0.00 H new ATOM 1817 N ILE A 99 9.462 8.944 3.924 1.00 0.00 N ATOM 1818 CA ILE A 99 10.682 8.179 3.630 1.00 0.00 C ATOM 1819 C ILE A 99 11.880 9.104 3.824 1.00 0.00 C ATOM 1820 O ILE A 99 12.292 9.819 2.929 1.00 0.00 O ATOM 1821 CB ILE A 99 10.505 7.735 2.186 1.00 0.00 C ATOM 1822 CG1 ILE A 99 10.215 8.958 1.273 1.00 0.00 C ATOM 1823 CG2 ILE A 99 9.344 6.724 2.126 1.00 0.00 C ATOM 1824 CD1 ILE A 99 8.717 9.075 0.973 1.00 0.00 C ATOM 0 H ILE A 99 9.280 9.731 3.302 1.00 0.00 H new ATOM 0 HA ILE A 99 10.849 7.315 4.274 1.00 0.00 H new ATOM 0 HB ILE A 99 11.421 7.265 1.827 1.00 0.00 H new ATOM 0 HG12 ILE A 99 10.565 9.869 1.758 1.00 0.00 H new ATOM 0 HG13 ILE A 99 10.770 8.860 0.340 1.00 0.00 H new ATOM 0 HG21 ILE A 99 9.202 6.394 1.097 1.00 0.00 H new ATOM 0 HG22 ILE A 99 9.577 5.864 2.754 1.00 0.00 H new ATOM 0 HG23 ILE A 99 8.430 7.198 2.485 1.00 0.00 H new ATOM 0 HD11 ILE A 99 8.541 9.939 0.332 1.00 0.00 H new ATOM 0 HD12 ILE A 99 8.376 8.172 0.467 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.167 9.197 1.906 1.00 0.00 H new ATOM 1836 N ASN A 100 12.424 9.110 5.005 1.00 0.00 N ATOM 1837 CA ASN A 100 13.572 10.009 5.295 1.00 0.00 C ATOM 1838 C ASN A 100 14.901 9.301 5.022 1.00 0.00 C ATOM 1839 O ASN A 100 14.972 8.089 4.957 1.00 0.00 O ATOM 1840 CB ASN A 100 13.429 10.345 6.782 1.00 0.00 C ATOM 1841 CG ASN A 100 12.592 11.615 6.959 1.00 0.00 C ATOM 1842 OD1 ASN A 100 11.561 11.776 6.337 1.00 0.00 O ATOM 1843 ND2 ASN A 100 12.994 12.529 7.792 1.00 0.00 N ATOM 0 H ASN A 100 12.122 8.528 5.786 1.00 0.00 H new ATOM 0 HA ASN A 100 13.569 10.900 4.667 1.00 0.00 H new ATOM 0 HB2 ASN A 100 12.957 9.514 7.306 1.00 0.00 H new ATOM 0 HB3 ASN A 100 14.414 10.485 7.227 1.00 0.00 H new ATOM 0 HD21 ASN A 100 12.444 13.378 7.922 1.00 0.00 H new ATOM 0 HD22 ASN A 100 13.859 12.397 8.316 1.00 0.00 H new ATOM 1850 N GLU A 101 15.956 10.057 4.871 1.00 0.00 N ATOM 1851 CA GLU A 101 17.294 9.445 4.613 1.00 0.00 C ATOM 1852 C GLU A 101 17.703 8.555 5.798 1.00 0.00 C ATOM 1853 O GLU A 101 17.413 8.862 6.943 1.00 0.00 O ATOM 1854 CB GLU A 101 18.251 10.633 4.464 1.00 0.00 C ATOM 1855 CG GLU A 101 19.254 10.344 3.341 1.00 0.00 C ATOM 1856 CD GLU A 101 20.630 10.051 3.938 1.00 0.00 C ATOM 1857 OE1 GLU A 101 20.701 9.220 4.828 1.00 0.00 O ATOM 1858 OE2 GLU A 101 21.586 10.662 3.497 1.00 0.00 O ATOM 0 H GLU A 101 15.949 11.076 4.915 1.00 0.00 H new ATOM 0 HA GLU A 101 17.300 8.811 3.727 1.00 0.00 H new ATOM 0 HB2 GLU A 101 17.690 11.540 4.240 1.00 0.00 H new ATOM 0 HB3 GLU A 101 18.779 10.808 5.401 1.00 0.00 H new ATOM 0 HG2 GLU A 101 18.916 9.494 2.749 1.00 0.00 H new ATOM 0 HG3 GLU A 101 19.315 11.198 2.666 1.00 0.00 H new ATOM 1865 N GLU A 102 18.375 7.459 5.534 1.00 0.00 N ATOM 1866 CA GLU A 102 18.805 6.544 6.648 1.00 0.00 C ATOM 1867 C GLU A 102 19.614 7.302 7.720 1.00 0.00 C ATOM 1868 O GLU A 102 19.764 6.834 8.833 1.00 0.00 O ATOM 1869 CB GLU A 102 19.650 5.434 5.992 1.00 0.00 C ATOM 1870 CG GLU A 102 20.709 6.031 5.053 1.00 0.00 C ATOM 1871 CD GLU A 102 20.294 5.804 3.597 1.00 0.00 C ATOM 1872 OE1 GLU A 102 19.431 6.531 3.132 1.00 0.00 O ATOM 1873 OE2 GLU A 102 20.838 4.907 2.977 1.00 0.00 O ATOM 0 H GLU A 102 18.645 7.156 4.598 1.00 0.00 H new ATOM 0 HA GLU A 102 17.941 6.127 7.165 1.00 0.00 H new ATOM 0 HB2 GLU A 102 20.137 4.839 6.764 1.00 0.00 H new ATOM 0 HB3 GLU A 102 19.001 4.760 5.433 1.00 0.00 H new ATOM 0 HG2 GLU A 102 20.821 7.098 5.247 1.00 0.00 H new ATOM 0 HG3 GLU A 102 21.678 5.569 5.241 1.00 0.00 H new ATOM 1880 N ASN A 103 20.124 8.470 7.406 1.00 0.00 N ATOM 1881 CA ASN A 103 20.905 9.249 8.423 1.00 0.00 C ATOM 1882 C ASN A 103 19.979 10.130 9.289 1.00 0.00 C ATOM 1883 O ASN A 103 20.404 10.675 10.293 1.00 0.00 O ATOM 1884 CB ASN A 103 21.863 10.122 7.609 1.00 0.00 C ATOM 1885 CG ASN A 103 23.058 9.285 7.156 1.00 0.00 C ATOM 1886 OD1 ASN A 103 24.035 9.167 7.863 1.00 0.00 O ATOM 1887 ND2 ASN A 103 23.021 8.694 6.000 1.00 0.00 N ATOM 0 H ASN A 103 20.034 8.917 6.494 1.00 0.00 H new ATOM 0 HA ASN A 103 21.430 8.588 9.112 1.00 0.00 H new ATOM 0 HB2 ASN A 103 21.347 10.536 6.743 1.00 0.00 H new ATOM 0 HB3 ASN A 103 22.203 10.965 8.211 1.00 0.00 H new ATOM 0 HD21 ASN A 103 23.813 8.132 5.689 1.00 0.00 H new ATOM 0 HD22 ASN A 103 22.200 8.792 5.403 1.00 0.00 H new ATOM 1894 N SER A 104 18.724 10.284 8.918 1.00 0.00 N ATOM 1895 CA SER A 104 17.798 11.139 9.737 1.00 0.00 C ATOM 1896 C SER A 104 16.327 10.778 9.471 1.00 0.00 C ATOM 1897 O SER A 104 15.723 11.265 8.530 1.00 0.00 O ATOM 1898 CB SER A 104 18.084 12.582 9.295 1.00 0.00 C ATOM 1899 OG SER A 104 17.709 12.754 7.928 1.00 0.00 O ATOM 0 H SER A 104 18.305 9.859 8.091 1.00 0.00 H new ATOM 0 HA SER A 104 17.962 10.995 10.805 1.00 0.00 H new ATOM 0 HB2 SER A 104 17.532 13.281 9.924 1.00 0.00 H new ATOM 0 HB3 SER A 104 19.143 12.808 9.422 1.00 0.00 H new ATOM 0 HG SER A 104 16.778 12.473 7.806 1.00 0.00 H new ATOM 1905 N SER A 105 15.745 9.945 10.296 1.00 0.00 N ATOM 1906 CA SER A 105 14.311 9.559 10.099 1.00 0.00 C ATOM 1907 C SER A 105 13.622 9.307 11.448 1.00 0.00 C ATOM 1908 O SER A 105 14.301 8.913 12.382 1.00 0.00 O ATOM 1909 CB SER A 105 14.359 8.273 9.275 1.00 0.00 C ATOM 1910 OG SER A 105 13.034 7.787 9.078 1.00 0.00 O ATOM 1911 OXT SER A 105 12.418 9.502 11.516 1.00 0.00 O ATOM 0 H SER A 105 16.201 9.514 11.100 1.00 0.00 H new ATOM 0 HA SER A 105 13.743 10.346 9.604 1.00 0.00 H new ATOM 0 HB2 SER A 105 14.836 8.462 8.313 1.00 0.00 H new ATOM 0 HB3 SER A 105 14.961 7.522 9.787 1.00 0.00 H new ATOM 0 HG SER A 105 12.738 7.310 9.881 1.00 0.00 H new TER 1917 SER A 105