USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 ASN : amide:sc= 2.13 K(o=3.3,f=-1.5) USER MOD Set 1.2: A 74 TYR OH : rot 143:sc= 1.21 USER MOD Set 2.1: A 40 SER OG : rot 94:sc= 1.92 USER MOD Set 2.2: A 52 ASN : amide:sc= -0.0324 K(o=1.9,f=-7.7!) USER MOD Set 3.1: A 19 THR OG1 : rot -131:sc= 0.0867 USER MOD Set 3.2: A 31 ASN : amide:sc= 1.46 K(o=1.5,f=-7!) USER MOD Set 4.1: A 1 GLY N :NH3+ -161:sc= 1.24 (180deg=0) USER MOD Set 4.2: A 96 THR OG1 : rot 79:sc= 2.21 USER MOD Single : A 2 SER OG : rot -64:sc= 1.11 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -143:sc= 2.26 (180deg=-0.25) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0426 USER MOD Single : A 11 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000769) USER MOD Single : A 12 THR OG1 : rot -79:sc= 0.44 USER MOD Single : A 14 CYS SG : rot 180:sc= -1 USER MOD Single : A 16 GLN : amide:sc= 1.17 K(o=1.2,f=-0.7) USER MOD Single : A 17 CYS SG : rot 180:sc=-0.00633 USER MOD Single : A 18 HIS : no HE2:sc= 0.968 K(o=0.97,f=-4.1!) USER MOD Single : A 26 HIS : no HD1:sc= -0.46 K(o=-0.46,f=-1.6) USER MOD Single : A 27 LYS NZ :NH3+ 152:sc= 1.95 (180deg=0.233) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= 1.06 K(o=1.1,f=0) USER MOD Single : A 46 TYR OH : rot 28:sc= 1.24 USER MOD Single : A 47 SER OG : rot 55:sc= 0.487 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 2.18 USER MOD Single : A 54 LYS NZ :NH3+ 176:sc= 0.238 (180deg=-0.216) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.717 K(o=-0.72,f=-2.8!) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 MET CE :methyl 179:sc= -0.0498 (180deg=-0.0523) USER MOD Single : A 65 SER OG : rot -150:sc= -0.127 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 71:sc= 1.21 USER MOD Single : A 70 ASN : amide:sc= -0.64 K(o=-0.64,f=-3.6!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 31:sc= 0.472 USER MOD Single : A 79 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00176) USER MOD Single : A 86 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0184) USER MOD Single : A 87 LYS NZ :NH3+ 165:sc= 1.25 (180deg=1.07) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.199 K(o=-0.2,f=-1.2) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -153:sc= 1.24 (180deg=0.89) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot -130:sc= 0.342 USER MOD ----------------------------------------------------------------- ATOM 42 N GLY A 1 -2.964 2.317 -15.687 1.00 0.00 N ATOM 43 CA GLY A 1 -3.927 3.388 -15.860 1.00 0.00 C ATOM 44 C GLY A 1 -3.165 4.687 -16.094 1.00 0.00 C ATOM 45 O GLY A 1 -2.145 4.689 -16.784 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.431 1.401 -15.847 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.188 2.434 -16.370 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.582 2.347 -14.720 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.583 3.176 -16.704 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.561 3.474 -14.978 1.00 0.00 H new ATOM 46 N SER A 2 -3.632 5.789 -15.507 1.00 0.00 N ATOM 47 CA SER A 2 -2.951 7.071 -15.588 1.00 0.00 C ATOM 48 C SER A 2 -1.967 7.236 -14.421 1.00 0.00 C ATOM 49 O SER A 2 -2.126 6.629 -13.364 1.00 0.00 O ATOM 50 CB SER A 2 -3.985 8.200 -15.700 1.00 0.00 C ATOM 51 OG SER A 2 -4.902 8.213 -14.628 1.00 0.00 O ATOM 0 H SER A 2 -4.494 5.813 -14.963 1.00 0.00 H new ATOM 0 HA SER A 2 -2.342 7.118 -16.491 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.467 9.158 -15.740 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.531 8.094 -16.637 1.00 0.00 H new ATOM 0 HG SER A 2 -5.435 7.391 -14.643 1.00 0.00 H new ATOM 52 N ALA A 3 -0.906 8.025 -14.637 1.00 0.00 N ATOM 53 CA ALA A 3 0.099 8.313 -13.616 1.00 0.00 C ATOM 54 C ALA A 3 -0.446 9.309 -12.598 1.00 0.00 C ATOM 55 O ALA A 3 -0.256 9.156 -11.394 1.00 0.00 O ATOM 56 CB ALA A 3 1.354 8.886 -14.273 1.00 0.00 C ATOM 0 H ALA A 3 -0.724 8.482 -15.531 1.00 0.00 H new ATOM 0 HA ALA A 3 0.349 7.385 -13.101 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.100 9.099 -13.508 1.00 0.00 H new ATOM 0 HB2 ALA A 3 1.757 8.162 -14.981 1.00 0.00 H new ATOM 0 HB3 ALA A 3 1.101 9.806 -14.799 1.00 0.00 H new ATOM 57 N LYS A 4 -1.106 10.358 -13.098 1.00 0.00 N ATOM 58 CA LYS A 4 -1.921 11.228 -12.267 1.00 0.00 C ATOM 59 C LYS A 4 -3.233 10.486 -11.964 1.00 0.00 C ATOM 60 O LYS A 4 -3.325 9.297 -12.249 1.00 0.00 O ATOM 61 CB LYS A 4 -2.129 12.574 -12.979 1.00 0.00 C ATOM 62 CG LYS A 4 -0.779 13.251 -13.266 1.00 0.00 C ATOM 63 CD LYS A 4 -0.982 14.643 -13.880 1.00 0.00 C ATOM 64 CE LYS A 4 0.379 15.298 -14.175 1.00 0.00 C ATOM 65 NZ LYS A 4 0.239 16.647 -14.764 1.00 0.00 N ATOM 0 H LYS A 4 -1.087 10.621 -14.083 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.437 11.461 -11.319 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -2.669 12.417 -13.913 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -2.745 13.227 -12.360 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -0.207 13.337 -12.342 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.194 12.631 -13.946 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -1.562 14.562 -14.800 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -1.555 15.270 -13.197 1.00 0.00 H new ATOM 0 HE2 LYS A 4 0.954 15.365 -13.252 1.00 0.00 H new ATOM 0 HE3 LYS A 4 0.944 14.663 -14.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.182 17.047 -14.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -0.287 16.582 -15.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -0.277 17.262 -14.103 1.00 0.00 H new ATOM 66 N LYS A 5 -4.232 11.150 -11.367 1.00 0.00 N ATOM 67 CA LYS A 5 -5.540 10.588 -11.010 1.00 0.00 C ATOM 68 C LYS A 5 -5.367 9.754 -9.739 1.00 0.00 C ATOM 69 O LYS A 5 -5.907 10.066 -8.676 1.00 0.00 O ATOM 70 CB LYS A 5 -6.126 9.774 -12.185 1.00 0.00 C ATOM 71 CG LYS A 5 -7.650 9.613 -12.231 1.00 0.00 C ATOM 72 CD LYS A 5 -8.260 9.016 -10.957 1.00 0.00 C ATOM 73 CE LYS A 5 -9.707 8.568 -11.227 1.00 0.00 C ATOM 74 NZ LYS A 5 -9.814 7.113 -11.464 1.00 0.00 N ATOM 0 H LYS A 5 -4.147 12.133 -11.109 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.260 11.382 -10.811 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.807 10.245 -13.115 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.681 8.779 -12.163 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.101 10.588 -12.413 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.911 8.978 -13.077 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -7.664 8.167 -10.622 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.243 9.754 -10.155 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.333 8.842 -10.378 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.094 9.104 -12.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -10.532 6.932 -12.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -8.895 6.745 -11.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.090 6.637 -10.582 1.00 0.00 H new ATOM 75 N GLY A 6 -4.530 8.727 -9.850 1.00 0.00 N ATOM 76 CA GLY A 6 -4.092 7.883 -8.759 1.00 0.00 C ATOM 77 C GLY A 6 -3.487 8.720 -7.634 1.00 0.00 C ATOM 78 O GLY A 6 -3.684 8.423 -6.460 1.00 0.00 O ATOM 0 H GLY A 6 -4.124 8.454 -10.745 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.936 7.308 -8.377 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.355 7.166 -9.121 1.00 0.00 H new ATOM 79 N ALA A 7 -2.781 9.799 -7.989 1.00 0.00 N ATOM 80 CA ALA A 7 -2.249 10.758 -7.032 1.00 0.00 C ATOM 81 C ALA A 7 -3.366 11.325 -6.157 1.00 0.00 C ATOM 82 O ALA A 7 -3.257 11.355 -4.931 1.00 0.00 O ATOM 83 CB ALA A 7 -1.525 11.878 -7.786 1.00 0.00 C ATOM 0 H ALA A 7 -2.564 10.028 -8.959 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.539 10.254 -6.376 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.125 12.598 -7.072 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.708 11.454 -8.370 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.226 12.380 -8.453 1.00 0.00 H new ATOM 84 N THR A 8 -4.443 11.785 -6.790 1.00 0.00 N ATOM 85 CA THR A 8 -5.575 12.383 -6.116 1.00 0.00 C ATOM 86 C THR A 8 -6.246 11.339 -5.224 1.00 0.00 C ATOM 87 O THR A 8 -6.549 11.608 -4.065 1.00 0.00 O ATOM 88 CB THR A 8 -6.521 12.928 -7.193 1.00 0.00 C ATOM 89 OG1 THR A 8 -5.756 13.564 -8.203 1.00 0.00 O ATOM 90 CG2 THR A 8 -7.524 13.923 -6.604 1.00 0.00 C ATOM 0 H THR A 8 -4.548 11.748 -7.804 1.00 0.00 H new ATOM 0 HA THR A 8 -5.272 13.205 -5.468 1.00 0.00 H new ATOM 0 HB THR A 8 -7.083 12.094 -7.613 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.355 13.913 -8.896 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.179 14.290 -7.394 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.121 13.428 -5.838 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.987 14.761 -6.160 1.00 0.00 H new ATOM 91 N LEU A 9 -6.438 10.131 -5.758 1.00 0.00 N ATOM 92 CA LEU A 9 -7.013 9.008 -5.041 1.00 0.00 C ATOM 93 C LEU A 9 -6.194 8.726 -3.780 1.00 0.00 C ATOM 94 O LEU A 9 -6.732 8.695 -2.675 1.00 0.00 O ATOM 95 CB LEU A 9 -7.050 7.801 -5.991 1.00 0.00 C ATOM 96 CG LEU A 9 -8.430 7.476 -6.582 1.00 0.00 C ATOM 97 CD1 LEU A 9 -9.372 6.899 -5.523 1.00 0.00 C ATOM 98 CD2 LEU A 9 -9.061 8.691 -7.270 1.00 0.00 C ATOM 0 H LEU A 9 -6.190 9.909 -6.722 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.031 9.228 -4.718 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.355 7.983 -6.811 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.687 6.925 -5.454 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.273 6.713 -7.345 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -10.339 6.681 -5.976 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -8.946 5.981 -5.118 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.503 7.623 -4.719 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -10.035 8.415 -7.673 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.183 9.497 -6.546 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.414 9.026 -8.081 1.00 0.00 H new ATOM 99 N PHE A 10 -4.879 8.559 -3.938 1.00 0.00 N ATOM 100 CA PHE A 10 -3.966 8.415 -2.816 1.00 0.00 C ATOM 101 C PHE A 10 -4.225 9.530 -1.806 1.00 0.00 C ATOM 102 O PHE A 10 -4.456 9.264 -0.626 1.00 0.00 O ATOM 103 CB PHE A 10 -2.510 8.409 -3.299 1.00 0.00 C ATOM 104 CG PHE A 10 -1.497 8.291 -2.177 1.00 0.00 C ATOM 105 CD1 PHE A 10 -1.145 7.022 -1.682 1.00 0.00 C ATOM 106 CD2 PHE A 10 -1.023 9.450 -1.531 1.00 0.00 C ATOM 107 CE1 PHE A 10 -0.406 6.920 -0.488 1.00 0.00 C ATOM 108 CE2 PHE A 10 -0.287 9.343 -0.339 1.00 0.00 C ATOM 109 CZ PHE A 10 -0.024 8.078 0.209 1.00 0.00 C ATOM 0 H PHE A 10 -4.423 8.521 -4.850 1.00 0.00 H new ATOM 0 HA PHE A 10 -4.141 7.459 -2.324 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -2.370 7.580 -3.992 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -2.317 9.326 -3.856 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.440 6.130 -2.215 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.226 10.423 -1.953 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.132 5.948 -0.107 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.076 10.232 0.155 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.471 7.995 1.165 1.00 0.00 H new ATOM 110 N LYS A 11 -4.226 10.778 -2.289 1.00 0.00 N ATOM 111 CA LYS A 11 -4.393 11.943 -1.433 1.00 0.00 C ATOM 112 C LYS A 11 -5.714 11.915 -0.658 1.00 0.00 C ATOM 113 O LYS A 11 -5.752 12.367 0.483 1.00 0.00 O ATOM 114 CB LYS A 11 -4.203 13.241 -2.221 1.00 0.00 C ATOM 115 CG LYS A 11 -2.700 13.406 -2.461 1.00 0.00 C ATOM 116 CD LYS A 11 -2.391 14.468 -3.516 1.00 0.00 C ATOM 117 CE LYS A 11 -1.060 14.110 -4.185 1.00 0.00 C ATOM 118 NZ LYS A 11 0.105 14.246 -3.284 1.00 0.00 N ATOM 0 H LYS A 11 -4.111 11.001 -3.278 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.606 11.906 -0.679 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.742 13.199 -3.168 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -4.600 14.091 -1.665 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.213 13.676 -1.524 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.278 12.452 -2.776 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.189 14.510 -4.257 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.331 15.454 -3.056 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.110 13.084 -4.550 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.915 14.751 -5.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.974 14.006 -3.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.166 15.226 -2.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.005 13.602 -2.475 1.00 0.00 H new ATOM 119 N THR A 12 -6.794 11.401 -1.253 1.00 0.00 N ATOM 120 CA THR A 12 -8.103 11.396 -0.613 1.00 0.00 C ATOM 121 C THR A 12 -8.391 10.105 0.160 1.00 0.00 C ATOM 122 O THR A 12 -9.381 10.069 0.890 1.00 0.00 O ATOM 123 CB THR A 12 -9.184 11.687 -1.662 1.00 0.00 C ATOM 124 OG1 THR A 12 -9.079 10.771 -2.733 1.00 0.00 O ATOM 125 CG2 THR A 12 -9.040 13.114 -2.204 1.00 0.00 C ATOM 0 H THR A 12 -6.782 10.982 -2.183 1.00 0.00 H new ATOM 0 HA THR A 12 -8.110 12.185 0.139 1.00 0.00 H new ATOM 0 HB THR A 12 -10.158 11.583 -1.185 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.351 11.046 -3.329 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.816 13.301 -2.947 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.142 13.826 -1.385 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.060 13.231 -2.666 1.00 0.00 H new ATOM 126 N ARG A 13 -7.584 9.043 0.010 1.00 0.00 N ATOM 127 CA ARG A 13 -7.907 7.729 0.571 1.00 0.00 C ATOM 128 C ARG A 13 -6.789 7.138 1.426 1.00 0.00 C ATOM 129 O ARG A 13 -7.065 6.569 2.482 1.00 0.00 O ATOM 130 CB ARG A 13 -8.286 6.750 -0.545 1.00 0.00 C ATOM 131 CG ARG A 13 -9.495 7.263 -1.338 1.00 0.00 C ATOM 132 CD ARG A 13 -10.141 6.139 -2.159 1.00 0.00 C ATOM 133 NE ARG A 13 -10.806 5.131 -1.314 1.00 0.00 N ATOM 134 CZ ARG A 13 -11.996 5.289 -0.708 1.00 0.00 C ATOM 135 NH1 ARG A 13 -12.634 6.462 -0.790 1.00 0.00 N ATOM 136 NH2 ARG A 13 -12.544 4.275 -0.026 1.00 0.00 N ATOM 0 H ARG A 13 -6.700 9.073 -0.498 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.757 7.885 1.235 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.438 6.612 -1.216 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.515 5.775 -0.116 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.230 7.684 -0.652 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.182 8.068 -2.003 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -10.869 6.569 -2.847 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -9.378 5.652 -2.766 1.00 0.00 H new ATOM 0 HE ARG A 13 -10.325 4.242 -1.178 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -12.218 7.234 -1.311 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.537 6.585 -0.331 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -12.059 3.380 0.035 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.447 4.398 0.433 1.00 0.00 H new ATOM 137 N CYS A 14 -5.545 7.209 0.960 1.00 0.00 N ATOM 138 CA CYS A 14 -4.420 6.512 1.572 1.00 0.00 C ATOM 139 C CYS A 14 -3.667 7.478 2.491 1.00 0.00 C ATOM 140 O CYS A 14 -3.289 7.131 3.614 1.00 0.00 O ATOM 141 CB CYS A 14 -3.499 5.987 0.498 1.00 0.00 C ATOM 142 SG CYS A 14 -4.299 5.079 -0.862 1.00 0.00 S ATOM 0 H CYS A 14 -5.288 7.757 0.139 1.00 0.00 H new ATOM 0 HA CYS A 14 -4.786 5.670 2.160 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.950 6.828 0.074 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.765 5.330 0.965 1.00 0.00 H new ATOM 0 HG CYS A 14 -3.397 4.688 -1.712 1.00 0.00 H new ATOM 143 N LEU A 15 -3.466 8.707 1.996 1.00 0.00 N ATOM 144 CA LEU A 15 -2.672 9.758 2.621 1.00 0.00 C ATOM 145 C LEU A 15 -2.974 9.922 4.103 1.00 0.00 C ATOM 146 O LEU A 15 -2.061 10.175 4.882 1.00 0.00 O ATOM 147 CB LEU A 15 -2.900 11.068 1.857 1.00 0.00 C ATOM 148 CG LEU A 15 -2.333 12.319 2.553 1.00 0.00 C ATOM 149 CD1 LEU A 15 -1.765 13.294 1.516 1.00 0.00 C ATOM 150 CD2 LEU A 15 -3.401 13.066 3.365 1.00 0.00 C ATOM 0 H LEU A 15 -3.874 9.002 1.109 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.621 9.474 2.565 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.448 10.981 0.869 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.971 11.205 1.707 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.552 11.970 3.229 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.368 14.173 2.023 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.967 12.806 0.957 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.556 13.597 0.830 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.953 13.941 3.837 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.206 13.384 2.702 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.803 12.405 4.133 1.00 0.00 H new ATOM 151 N GLN A 16 -4.240 9.813 4.503 1.00 0.00 N ATOM 152 CA GLN A 16 -4.624 9.855 5.908 1.00 0.00 C ATOM 153 C GLN A 16 -3.667 9.016 6.768 1.00 0.00 C ATOM 154 O GLN A 16 -3.040 9.547 7.690 1.00 0.00 O ATOM 155 CB GLN A 16 -6.101 9.464 6.093 1.00 0.00 C ATOM 156 CG GLN A 16 -6.509 8.123 5.458 1.00 0.00 C ATOM 157 CD GLN A 16 -7.986 7.808 5.682 1.00 0.00 C ATOM 158 OE1 GLN A 16 -8.583 8.229 6.667 1.00 0.00 O ATOM 159 NE2 GLN A 16 -8.596 7.056 4.771 1.00 0.00 N ATOM 0 H GLN A 16 -5.024 9.693 3.862 1.00 0.00 H new ATOM 0 HA GLN A 16 -4.533 10.883 6.260 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.318 9.423 7.160 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.724 10.252 5.671 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.303 8.151 4.388 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -5.900 7.323 5.879 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -8.079 6.717 3.960 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.581 6.818 4.883 1.00 0.00 H new ATOM 160 N CYS A 17 -3.495 7.740 6.416 1.00 0.00 N ATOM 161 CA CYS A 17 -2.789 6.750 7.219 1.00 0.00 C ATOM 162 C CYS A 17 -1.321 6.633 6.812 1.00 0.00 C ATOM 163 O CYS A 17 -0.470 6.347 7.661 1.00 0.00 O ATOM 164 CB CYS A 17 -3.454 5.408 7.065 1.00 0.00 C ATOM 165 SG CYS A 17 -5.069 5.349 7.901 1.00 0.00 S ATOM 0 H CYS A 17 -3.854 7.361 5.540 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.828 7.076 8.258 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.586 5.188 6.006 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.806 4.633 7.473 1.00 0.00 H new ATOM 0 HG CYS A 17 -5.600 4.174 7.736 1.00 0.00 H new ATOM 166 N HIS A 18 -1.051 6.821 5.515 1.00 0.00 N ATOM 167 CA HIS A 18 0.246 6.613 4.880 1.00 0.00 C ATOM 168 C HIS A 18 0.937 7.920 4.499 1.00 0.00 C ATOM 169 O HIS A 18 0.433 9.018 4.750 1.00 0.00 O ATOM 170 CB HIS A 18 0.035 5.747 3.634 1.00 0.00 C ATOM 171 CG HIS A 18 -0.183 4.308 3.981 1.00 0.00 C ATOM 172 ND1 HIS A 18 0.819 3.397 4.206 1.00 0.00 N ATOM 173 CD2 HIS A 18 -1.370 3.634 3.955 1.00 0.00 C ATOM 174 CE1 HIS A 18 0.250 2.188 4.283 1.00 0.00 C ATOM 175 NE2 HIS A 18 -1.079 2.280 4.142 1.00 0.00 N ATOM 0 H HIS A 18 -1.763 7.135 4.856 1.00 0.00 H new ATOM 0 HA HIS A 18 0.901 6.118 5.597 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.824 6.119 3.075 1.00 0.00 H new ATOM 0 HB3 HIS A 18 0.903 5.835 2.980 1.00 0.00 H new ATOM 0 HD1 HIS A 18 1.814 3.603 4.298 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -2.350 4.066 3.816 1.00 0.00 H new ATOM 0 HE1 HIS A 18 0.789 1.265 4.438 1.00 0.00 H new ATOM 176 N THR A 19 2.110 7.752 3.886 1.00 0.00 N ATOM 177 CA THR A 19 2.951 8.762 3.271 1.00 0.00 C ATOM 178 C THR A 19 3.662 8.115 2.073 1.00 0.00 C ATOM 179 O THR A 19 3.849 6.897 2.039 1.00 0.00 O ATOM 180 CB THR A 19 3.979 9.269 4.297 1.00 0.00 C ATOM 181 OG1 THR A 19 4.568 8.158 4.947 1.00 0.00 O ATOM 182 CG2 THR A 19 3.312 10.153 5.355 1.00 0.00 C ATOM 0 H THR A 19 2.525 6.824 3.804 1.00 0.00 H new ATOM 0 HA THR A 19 2.356 9.612 2.936 1.00 0.00 H new ATOM 0 HB THR A 19 4.730 9.856 3.769 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.550 8.299 5.917 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.062 10.497 6.067 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.849 11.013 4.871 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.549 9.579 5.881 1.00 0.00 H new ATOM 183 N VAL A 20 4.030 8.935 1.088 1.00 0.00 N ATOM 184 CA VAL A 20 4.819 8.576 -0.088 1.00 0.00 C ATOM 185 C VAL A 20 6.164 9.310 -0.051 1.00 0.00 C ATOM 186 O VAL A 20 7.201 8.733 -0.362 1.00 0.00 O ATOM 187 CB VAL A 20 4.011 8.902 -1.351 1.00 0.00 C ATOM 188 CG1 VAL A 20 4.855 9.015 -2.626 1.00 0.00 C ATOM 189 CG2 VAL A 20 2.947 7.821 -1.562 1.00 0.00 C ATOM 0 H VAL A 20 3.771 9.921 1.091 1.00 0.00 H new ATOM 0 HA VAL A 20 5.035 7.508 -0.095 1.00 0.00 H new ATOM 0 HB VAL A 20 3.567 9.883 -1.181 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.208 9.247 -3.472 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.592 9.809 -2.505 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.366 8.070 -2.809 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.370 8.048 -2.458 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.431 6.851 -1.678 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.281 7.793 -0.700 1.00 0.00 H new ATOM 190 N GLU A 21 6.154 10.589 0.313 1.00 0.00 N ATOM 191 CA GLU A 21 7.322 11.431 0.426 1.00 0.00 C ATOM 192 C GLU A 21 8.340 10.824 1.403 1.00 0.00 C ATOM 193 O GLU A 21 8.019 10.557 2.563 1.00 0.00 O ATOM 194 CB GLU A 21 6.865 12.842 0.843 1.00 0.00 C ATOM 195 CG GLU A 21 5.820 12.885 1.979 1.00 0.00 C ATOM 196 CD GLU A 21 4.371 12.765 1.508 1.00 0.00 C ATOM 197 OE1 GLU A 21 3.766 13.816 1.214 1.00 0.00 O ATOM 198 OE2 GLU A 21 3.908 11.605 1.418 1.00 0.00 O ATOM 0 H GLU A 21 5.291 11.080 0.545 1.00 0.00 H new ATOM 0 HA GLU A 21 7.834 11.503 -0.533 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.740 13.413 1.154 1.00 0.00 H new ATOM 0 HB3 GLU A 21 6.450 13.345 -0.030 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.030 12.077 2.680 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.935 13.820 2.527 1.00 0.00 H new ATOM 216 N PRO A 25 6.627 10.101 8.071 1.00 0.00 N ATOM 217 CA PRO A 25 6.911 8.926 8.885 1.00 0.00 C ATOM 218 C PRO A 25 5.834 7.840 8.755 1.00 0.00 C ATOM 219 O PRO A 25 4.791 8.045 8.132 1.00 0.00 O ATOM 220 CB PRO A 25 7.026 9.456 10.318 1.00 0.00 C ATOM 221 CG PRO A 25 6.104 10.674 10.312 1.00 0.00 C ATOM 222 CD PRO A 25 6.313 11.246 8.910 1.00 0.00 C ATOM 0 HA PRO A 25 7.826 8.431 8.560 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.708 8.713 11.049 1.00 0.00 H new ATOM 0 HB3 PRO A 25 8.052 9.728 10.566 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.064 10.396 10.485 1.00 0.00 H new ATOM 0 HG3 PRO A 25 6.375 11.391 11.087 1.00 0.00 H new ATOM 0 HD2 PRO A 25 5.418 11.759 8.557 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.123 11.975 8.899 1.00 0.00 H new ATOM 223 N HIS A 26 6.093 6.682 9.375 1.00 0.00 N ATOM 224 CA HIS A 26 5.200 5.527 9.388 1.00 0.00 C ATOM 225 C HIS A 26 4.037 5.798 10.354 1.00 0.00 C ATOM 226 O HIS A 26 3.958 5.188 11.416 1.00 0.00 O ATOM 227 CB HIS A 26 5.977 4.249 9.773 1.00 0.00 C ATOM 228 CG HIS A 26 7.267 4.027 9.020 1.00 0.00 C ATOM 229 ND1 HIS A 26 7.478 3.125 8.000 1.00 0.00 N ATOM 230 CD2 HIS A 26 8.464 4.643 9.273 1.00 0.00 C ATOM 231 CE1 HIS A 26 8.759 3.248 7.611 1.00 0.00 C ATOM 232 NE2 HIS A 26 9.397 4.167 8.350 1.00 0.00 N ATOM 0 H HIS A 26 6.956 6.523 9.895 1.00 0.00 H new ATOM 0 HA HIS A 26 4.790 5.366 8.391 1.00 0.00 H new ATOM 0 HB2 HIS A 26 6.200 4.286 10.839 1.00 0.00 H new ATOM 0 HB3 HIS A 26 5.329 3.387 9.613 1.00 0.00 H new ATOM 0 HD2 HIS A 26 8.653 5.369 10.050 1.00 0.00 H new ATOM 0 HE1 HIS A 26 9.213 2.683 6.811 1.00 0.00 H new ATOM 0 HE2 HIS A 26 10.370 4.460 8.257 1.00 0.00 H new ATOM 233 N LYS A 27 3.174 6.755 9.999 1.00 0.00 N ATOM 234 CA LYS A 27 2.125 7.312 10.843 1.00 0.00 C ATOM 235 C LYS A 27 1.212 6.225 11.425 1.00 0.00 C ATOM 236 O LYS A 27 1.358 5.838 12.582 1.00 0.00 O ATOM 237 CB LYS A 27 1.294 8.268 9.992 1.00 0.00 C ATOM 238 CG LYS A 27 1.964 9.594 9.633 1.00 0.00 C ATOM 239 CD LYS A 27 0.919 10.486 8.945 1.00 0.00 C ATOM 240 CE LYS A 27 0.200 9.708 7.827 1.00 0.00 C ATOM 241 NZ LYS A 27 -0.629 10.548 6.953 1.00 0.00 N ATOM 0 H LYS A 27 3.193 7.179 9.071 1.00 0.00 H new ATOM 0 HA LYS A 27 2.591 7.827 11.683 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.022 7.758 9.068 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.366 8.483 10.522 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.349 10.081 10.529 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.814 9.424 8.972 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.192 10.837 9.678 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.403 11.369 8.528 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.945 9.194 7.220 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.428 8.940 8.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.689 10.114 6.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.584 10.633 7.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.202 11.493 6.873 1.00 0.00 H new ATOM 242 N VAL A 28 0.230 5.776 10.634 1.00 0.00 N ATOM 243 CA VAL A 28 -0.610 4.640 10.962 1.00 0.00 C ATOM 244 C VAL A 28 -0.109 3.485 10.116 1.00 0.00 C ATOM 245 O VAL A 28 0.171 2.423 10.664 1.00 0.00 O ATOM 246 CB VAL A 28 -2.092 4.959 10.710 1.00 0.00 C ATOM 247 CG1 VAL A 28 -2.983 3.732 10.922 1.00 0.00 C ATOM 248 CG2 VAL A 28 -2.564 6.040 11.680 1.00 0.00 C ATOM 0 H VAL A 28 0.001 6.205 9.737 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.549 4.384 12.020 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.173 5.291 9.675 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.023 4.000 10.734 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.682 2.941 10.235 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.879 3.380 11.948 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.615 6.261 11.495 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.442 5.688 12.704 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.972 6.944 11.534 1.00 0.00 H new ATOM 249 N GLY A 29 0.026 3.699 8.803 1.00 0.00 N ATOM 250 CA GLY A 29 0.637 2.752 7.886 1.00 0.00 C ATOM 251 C GLY A 29 2.068 3.193 7.576 1.00 0.00 C ATOM 252 O GLY A 29 2.412 4.354 7.804 1.00 0.00 O ATOM 0 H GLY A 29 -0.295 4.553 8.347 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.640 1.754 8.325 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.056 2.694 6.966 1.00 0.00 H new ATOM 253 N PRO A 30 2.920 2.287 7.076 1.00 0.00 N ATOM 254 CA PRO A 30 4.301 2.601 6.760 1.00 0.00 C ATOM 255 C PRO A 30 4.405 3.521 5.544 1.00 0.00 C ATOM 256 O PRO A 30 3.508 3.565 4.706 1.00 0.00 O ATOM 257 CB PRO A 30 4.986 1.255 6.507 1.00 0.00 C ATOM 258 CG PRO A 30 3.839 0.360 6.041 1.00 0.00 C ATOM 259 CD PRO A 30 2.650 0.879 6.849 1.00 0.00 C ATOM 0 HA PRO A 30 4.780 3.143 7.576 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.766 1.336 5.750 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.458 0.867 7.410 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.668 0.449 4.968 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.038 -0.692 6.246 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.716 0.741 6.305 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.552 0.341 7.792 1.00 0.00 H new ATOM 260 N ASN A 31 5.526 4.237 5.433 1.00 0.00 N ATOM 261 CA ASN A 31 5.827 5.035 4.250 1.00 0.00 C ATOM 262 C ASN A 31 5.954 4.108 3.038 1.00 0.00 C ATOM 263 O ASN A 31 6.657 3.103 3.120 1.00 0.00 O ATOM 264 CB ASN A 31 7.126 5.812 4.482 1.00 0.00 C ATOM 265 CG ASN A 31 7.432 6.745 3.313 1.00 0.00 C ATOM 266 OD1 ASN A 31 7.714 6.288 2.211 1.00 0.00 O ATOM 267 ND2 ASN A 31 7.398 8.051 3.549 1.00 0.00 N ATOM 0 H ASN A 31 6.244 4.278 6.157 1.00 0.00 H new ATOM 0 HA ASN A 31 5.025 5.749 4.061 1.00 0.00 H new ATOM 0 HB2 ASN A 31 7.046 6.392 5.401 1.00 0.00 H new ATOM 0 HB3 ASN A 31 7.951 5.113 4.617 1.00 0.00 H new ATOM 0 HD21 ASN A 31 7.611 8.710 2.800 1.00 0.00 H new ATOM 0 HD22 ASN A 31 7.159 8.395 4.479 1.00 0.00 H new ATOM 268 N LEU A 32 5.270 4.418 1.932 1.00 0.00 N ATOM 269 CA LEU A 32 5.170 3.525 0.781 1.00 0.00 C ATOM 270 C LEU A 32 6.185 3.850 -0.322 1.00 0.00 C ATOM 271 O LEU A 32 6.042 3.369 -1.446 1.00 0.00 O ATOM 272 CB LEU A 32 3.729 3.552 0.248 1.00 0.00 C ATOM 273 CG LEU A 32 2.685 3.090 1.280 1.00 0.00 C ATOM 274 CD1 LEU A 32 1.301 3.084 0.626 1.00 0.00 C ATOM 275 CD2 LEU A 32 2.986 1.684 1.816 1.00 0.00 C ATOM 0 H LEU A 32 4.770 5.299 1.813 1.00 0.00 H new ATOM 0 HA LEU A 32 5.419 2.517 1.114 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.488 4.565 -0.073 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.664 2.914 -0.634 1.00 0.00 H new ATOM 0 HG LEU A 32 2.718 3.785 2.119 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.557 2.757 1.352 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.056 4.089 0.283 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.303 2.401 -0.223 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.223 1.400 2.541 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.985 0.972 0.991 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.964 1.680 2.298 1.00 0.00 H new ATOM 276 N HIS A 33 7.223 4.638 -0.037 1.00 0.00 N ATOM 277 CA HIS A 33 8.258 4.900 -1.023 1.00 0.00 C ATOM 278 C HIS A 33 9.041 3.626 -1.338 1.00 0.00 C ATOM 279 O HIS A 33 9.318 2.819 -0.450 1.00 0.00 O ATOM 280 CB HIS A 33 9.216 5.969 -0.514 1.00 0.00 C ATOM 281 CG HIS A 33 10.108 6.499 -1.602 1.00 0.00 C ATOM 282 ND1 HIS A 33 11.429 6.172 -1.798 1.00 0.00 N ATOM 283 CD2 HIS A 33 9.805 7.536 -2.441 1.00 0.00 C ATOM 284 CE1 HIS A 33 11.922 7.038 -2.700 1.00 0.00 C ATOM 285 NE2 HIS A 33 10.984 7.915 -3.084 1.00 0.00 N ATOM 0 H HIS A 33 7.364 5.100 0.862 1.00 0.00 H new ATOM 0 HA HIS A 33 7.773 5.252 -1.934 1.00 0.00 H new ATOM 0 HB2 HIS A 33 8.644 6.791 -0.083 1.00 0.00 H new ATOM 0 HB3 HIS A 33 9.829 5.554 0.286 1.00 0.00 H new ATOM 0 HD2 HIS A 33 8.831 7.981 -2.580 1.00 0.00 H new ATOM 0 HE1 HIS A 33 12.938 7.028 -3.066 1.00 0.00 H new ATOM 0 HE2 HIS A 33 11.107 8.703 -3.720 1.00 0.00 H new ATOM 286 N GLY A 34 9.436 3.459 -2.600 1.00 0.00 N ATOM 287 CA GLY A 34 10.216 2.325 -3.052 1.00 0.00 C ATOM 288 C GLY A 34 9.596 0.984 -2.653 1.00 0.00 C ATOM 289 O GLY A 34 10.337 0.041 -2.367 1.00 0.00 O ATOM 0 H GLY A 34 9.216 4.123 -3.343 1.00 0.00 H new ATOM 0 HA2 GLY A 34 10.315 2.366 -4.137 1.00 0.00 H new ATOM 0 HA3 GLY A 34 11.222 2.393 -2.638 1.00 0.00 H new ATOM 290 N ILE A 35 8.264 0.900 -2.580 1.00 0.00 N ATOM 291 CA ILE A 35 7.544 -0.297 -2.174 1.00 0.00 C ATOM 292 C ILE A 35 7.626 -1.367 -3.269 1.00 0.00 C ATOM 293 O ILE A 35 7.932 -2.522 -2.976 1.00 0.00 O ATOM 294 CB ILE A 35 6.103 0.084 -1.766 1.00 0.00 C ATOM 295 CG1 ILE A 35 5.243 -1.096 -1.285 1.00 0.00 C ATOM 296 CG2 ILE A 35 5.288 0.737 -2.880 1.00 0.00 C ATOM 297 CD1 ILE A 35 5.471 -1.431 0.180 1.00 0.00 C ATOM 0 H ILE A 35 7.649 1.682 -2.807 1.00 0.00 H new ATOM 0 HA ILE A 35 8.007 -0.745 -1.295 1.00 0.00 H new ATOM 0 HB ILE A 35 6.295 0.784 -0.953 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.190 -0.859 -1.440 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.465 -1.973 -1.893 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.290 0.973 -2.510 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.781 1.654 -3.202 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.210 0.051 -3.724 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.838 -2.271 0.464 1.00 0.00 H new ATOM 0 HD12 ILE A 35 6.517 -1.697 0.334 1.00 0.00 H new ATOM 0 HD13 ILE A 35 5.222 -0.566 0.794 1.00 0.00 H new ATOM 298 N PHE A 36 7.364 -0.992 -4.526 1.00 0.00 N ATOM 299 CA PHE A 36 7.169 -1.955 -5.601 1.00 0.00 C ATOM 300 C PHE A 36 8.453 -2.722 -5.894 1.00 0.00 C ATOM 301 O PHE A 36 9.308 -2.233 -6.628 1.00 0.00 O ATOM 302 CB PHE A 36 6.628 -1.292 -6.873 1.00 0.00 C ATOM 303 CG PHE A 36 5.148 -0.975 -6.809 1.00 0.00 C ATOM 304 CD1 PHE A 36 4.713 0.142 -6.083 1.00 0.00 C ATOM 305 CD2 PHE A 36 4.195 -1.878 -7.320 1.00 0.00 C ATOM 306 CE1 PHE A 36 3.357 0.326 -5.812 1.00 0.00 C ATOM 307 CE2 PHE A 36 2.822 -1.639 -7.130 1.00 0.00 C ATOM 308 CZ PHE A 36 2.400 -0.527 -6.380 1.00 0.00 C ATOM 0 H PHE A 36 7.283 -0.018 -4.819 1.00 0.00 H new ATOM 0 HA PHE A 36 6.418 -2.667 -5.259 1.00 0.00 H new ATOM 0 HB2 PHE A 36 7.181 -0.371 -7.056 1.00 0.00 H new ATOM 0 HB3 PHE A 36 6.814 -1.949 -7.723 1.00 0.00 H new ATOM 0 HD1 PHE A 36 5.433 0.866 -5.731 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.519 -2.756 -7.859 1.00 0.00 H new ATOM 0 HE1 PHE A 36 3.043 1.129 -5.162 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.092 -2.309 -7.560 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.347 -0.331 -6.242 1.00 0.00 H new ATOM 309 N GLY A 37 8.563 -3.928 -5.338 1.00 0.00 N ATOM 310 CA GLY A 37 9.699 -4.815 -5.518 1.00 0.00 C ATOM 311 C GLY A 37 10.225 -5.315 -4.176 1.00 0.00 C ATOM 312 O GLY A 37 10.799 -6.401 -4.112 1.00 0.00 O ATOM 0 H GLY A 37 7.841 -4.321 -4.734 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.407 -5.664 -6.136 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.493 -4.291 -6.050 1.00 0.00 H new ATOM 313 N ARG A 38 10.066 -4.532 -3.104 1.00 0.00 N ATOM 314 CA ARG A 38 10.535 -4.951 -1.795 1.00 0.00 C ATOM 315 C ARG A 38 9.501 -5.907 -1.208 1.00 0.00 C ATOM 316 O ARG A 38 8.315 -5.583 -1.183 1.00 0.00 O ATOM 317 CB ARG A 38 10.835 -3.725 -0.915 1.00 0.00 C ATOM 318 CG ARG A 38 9.680 -3.244 -0.018 1.00 0.00 C ATOM 319 CD ARG A 38 10.129 -2.094 0.890 1.00 0.00 C ATOM 320 NE ARG A 38 10.657 -0.978 0.096 1.00 0.00 N ATOM 321 CZ ARG A 38 11.639 -0.139 0.453 1.00 0.00 C ATOM 322 NH1 ARG A 38 12.105 -0.121 1.707 1.00 0.00 N ATOM 323 NH2 ARG A 38 12.151 0.666 -0.479 1.00 0.00 N ATOM 0 H ARG A 38 9.620 -3.615 -3.124 1.00 0.00 H new ATOM 0 HA ARG A 38 11.481 -5.489 -1.860 1.00 0.00 H new ATOM 0 HB2 ARG A 38 11.690 -3.958 -0.280 1.00 0.00 H new ATOM 0 HB3 ARG A 38 11.134 -2.901 -1.563 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.845 -2.917 -0.638 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.319 -4.073 0.591 1.00 0.00 H new ATOM 0 HD2 ARG A 38 9.288 -1.751 1.493 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.894 -2.448 1.581 1.00 0.00 H new ATOM 0 HE ARG A 38 10.234 -0.826 -0.820 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.712 -0.752 2.406 1.00 0.00 H new ATOM 0 HH12 ARG A 38 12.853 0.523 1.964 1.00 0.00 H new ATOM 0 HH21 ARG A 38 11.794 0.632 -1.434 1.00 0.00 H new ATOM 0 HH22 ARG A 38 12.899 1.315 -0.237 1.00 0.00 H new ATOM 324 N GLN A 39 9.922 -7.084 -0.735 1.00 0.00 N ATOM 325 CA GLN A 39 8.997 -7.991 -0.109 1.00 0.00 C ATOM 326 C GLN A 39 8.390 -7.357 1.146 1.00 0.00 C ATOM 327 O GLN A 39 9.032 -6.550 1.819 1.00 0.00 O ATOM 328 CB GLN A 39 9.675 -9.310 0.215 1.00 0.00 C ATOM 329 CG GLN A 39 10.339 -10.006 -0.977 1.00 0.00 C ATOM 330 CD GLN A 39 10.810 -11.406 -0.595 1.00 0.00 C ATOM 331 OE1 GLN A 39 12.006 -11.672 -0.555 1.00 0.00 O ATOM 332 NE2 GLN A 39 9.885 -12.319 -0.313 1.00 0.00 N ATOM 0 H GLN A 39 10.886 -7.414 -0.779 1.00 0.00 H new ATOM 0 HA GLN A 39 8.186 -8.196 -0.808 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.430 -9.135 0.981 1.00 0.00 H new ATOM 0 HB3 GLN A 39 8.936 -9.985 0.645 1.00 0.00 H new ATOM 0 HG2 GLN A 39 9.634 -10.068 -1.806 1.00 0.00 H new ATOM 0 HG3 GLN A 39 11.186 -9.414 -1.323 1.00 0.00 H new ATOM 0 HE21 GLN A 39 8.896 -12.072 -0.353 1.00 0.00 H new ATOM 0 HE22 GLN A 39 10.165 -13.266 -0.056 1.00 0.00 H new ATOM 333 N SER A 40 7.139 -7.710 1.418 1.00 0.00 N ATOM 334 CA SER A 40 6.277 -7.042 2.372 1.00 0.00 C ATOM 335 C SER A 40 6.817 -7.163 3.799 1.00 0.00 C ATOM 336 O SER A 40 7.519 -8.117 4.130 1.00 0.00 O ATOM 337 CB SER A 40 4.864 -7.621 2.211 1.00 0.00 C ATOM 338 OG SER A 40 4.806 -8.961 2.651 1.00 0.00 O ATOM 0 H SER A 40 6.685 -8.500 0.960 1.00 0.00 H new ATOM 0 HA SER A 40 6.245 -5.971 2.174 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.155 -7.019 2.779 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.563 -7.566 1.165 1.00 0.00 H new ATOM 0 HG SER A 40 4.518 -8.986 3.587 1.00 0.00 H new ATOM 339 N GLY A 41 6.496 -6.193 4.660 1.00 0.00 N ATOM 340 CA GLY A 41 6.808 -6.329 6.075 1.00 0.00 C ATOM 341 C GLY A 41 8.297 -6.150 6.402 1.00 0.00 C ATOM 342 O GLY A 41 8.739 -6.641 7.438 1.00 0.00 O ATOM 0 H GLY A 41 6.029 -5.323 4.404 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.232 -5.594 6.637 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.487 -7.314 6.415 1.00 0.00 H new ATOM 370 N TYR A 46 9.077 0.050 13.164 1.00 0.00 N ATOM 371 CA TYR A 46 7.684 0.427 13.011 1.00 0.00 C ATOM 372 C TYR A 46 6.820 -0.740 13.510 1.00 0.00 C ATOM 373 O TYR A 46 7.279 -1.884 13.539 1.00 0.00 O ATOM 374 CB TYR A 46 7.430 0.777 11.538 1.00 0.00 C ATOM 375 CG TYR A 46 5.974 0.758 11.133 1.00 0.00 C ATOM 376 CD1 TYR A 46 5.083 1.730 11.625 1.00 0.00 C ATOM 377 CD2 TYR A 46 5.488 -0.314 10.369 1.00 0.00 C ATOM 378 CE1 TYR A 46 3.708 1.629 11.355 1.00 0.00 C ATOM 379 CE2 TYR A 46 4.127 -0.377 10.054 1.00 0.00 C ATOM 380 CZ TYR A 46 3.231 0.556 10.587 1.00 0.00 C ATOM 381 OH TYR A 46 1.910 0.434 10.303 1.00 0.00 O ATOM 0 HA TYR A 46 7.426 1.308 13.599 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.837 1.768 11.337 1.00 0.00 H new ATOM 0 HB3 TYR A 46 7.978 0.074 10.911 1.00 0.00 H new ATOM 0 HD1 TYR A 46 5.457 2.556 12.212 1.00 0.00 H new ATOM 0 HD2 TYR A 46 6.161 -1.086 10.026 1.00 0.00 H new ATOM 0 HE1 TYR A 46 3.023 2.372 11.736 1.00 0.00 H new ATOM 0 HE2 TYR A 46 3.765 -1.152 9.394 1.00 0.00 H new ATOM 0 HH TYR A 46 1.494 1.321 10.293 1.00 0.00 H new ATOM 382 N SER A 47 5.587 -0.455 13.939 1.00 0.00 N ATOM 383 CA SER A 47 4.669 -1.427 14.507 1.00 0.00 C ATOM 384 C SER A 47 4.094 -2.327 13.410 1.00 0.00 C ATOM 385 O SER A 47 2.965 -2.107 12.972 1.00 0.00 O ATOM 386 CB SER A 47 3.560 -0.661 15.234 1.00 0.00 C ATOM 387 OG SER A 47 2.988 0.277 14.342 1.00 0.00 O ATOM 0 H SER A 47 5.196 0.486 13.896 1.00 0.00 H new ATOM 0 HA SER A 47 5.190 -2.075 15.212 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.798 -1.352 15.593 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.965 -0.151 16.108 1.00 0.00 H new ATOM 0 HG SER A 47 2.691 -0.183 13.529 1.00 0.00 H new ATOM 388 N TYR A 48 4.884 -3.307 12.973 1.00 0.00 N ATOM 389 CA TYR A 48 4.545 -4.268 11.937 1.00 0.00 C ATOM 390 C TYR A 48 3.884 -5.528 12.507 1.00 0.00 C ATOM 391 O TYR A 48 3.538 -5.564 13.688 1.00 0.00 O ATOM 392 CB TYR A 48 5.860 -4.635 11.243 1.00 0.00 C ATOM 393 CG TYR A 48 6.172 -3.906 9.964 1.00 0.00 C ATOM 394 CD1 TYR A 48 5.189 -3.646 8.983 1.00 0.00 C ATOM 395 CD2 TYR A 48 7.523 -3.827 9.619 1.00 0.00 C ATOM 396 CE1 TYR A 48 5.566 -3.203 7.704 1.00 0.00 C ATOM 397 CE2 TYR A 48 7.875 -3.612 8.292 1.00 0.00 C ATOM 398 CZ TYR A 48 6.922 -3.210 7.345 1.00 0.00 C ATOM 399 OH TYR A 48 7.290 -3.094 6.036 1.00 0.00 O ATOM 0 H TYR A 48 5.819 -3.455 13.352 1.00 0.00 H new ATOM 0 HA TYR A 48 3.823 -3.831 11.247 1.00 0.00 H new ATOM 0 HB2 TYR A 48 6.676 -4.459 11.944 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.847 -5.704 11.032 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.144 -3.788 9.217 1.00 0.00 H new ATOM 0 HD2 TYR A 48 8.286 -3.932 10.376 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.819 -2.860 7.004 1.00 0.00 H new ATOM 0 HE2 TYR A 48 8.900 -3.757 7.985 1.00 0.00 H new ATOM 0 HH TYR A 48 8.267 -3.117 5.968 1.00 0.00 H new ATOM 400 N THR A 49 3.765 -6.584 11.684 1.00 0.00 N ATOM 401 CA THR A 49 3.327 -7.901 12.121 1.00 0.00 C ATOM 402 C THR A 49 4.239 -9.013 11.591 1.00 0.00 C ATOM 403 O THR A 49 4.703 -8.980 10.449 1.00 0.00 O ATOM 404 CB THR A 49 1.875 -8.167 11.702 1.00 0.00 C ATOM 405 OG1 THR A 49 1.756 -8.404 10.317 1.00 0.00 O ATOM 406 CG2 THR A 49 0.938 -7.016 12.044 1.00 0.00 C ATOM 0 H THR A 49 3.975 -6.536 10.687 1.00 0.00 H new ATOM 0 HA THR A 49 3.386 -7.908 13.209 1.00 0.00 H new ATOM 0 HB THR A 49 1.588 -9.054 12.267 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.817 -8.574 10.094 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.074 -7.263 11.723 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.947 -6.848 13.121 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.270 -6.112 11.533 1.00 0.00 H new ATOM 407 N ASP A 50 4.415 -10.045 12.424 1.00 0.00 N ATOM 408 CA ASP A 50 4.861 -11.375 12.026 1.00 0.00 C ATOM 409 C ASP A 50 4.136 -11.817 10.756 1.00 0.00 C ATOM 410 O ASP A 50 4.734 -12.229 9.768 1.00 0.00 O ATOM 411 CB ASP A 50 4.510 -12.342 13.163 1.00 0.00 C ATOM 412 CG ASP A 50 4.605 -13.789 12.718 1.00 0.00 C ATOM 413 OD1 ASP A 50 5.514 -14.116 11.925 1.00 0.00 O ATOM 414 OD2 ASP A 50 3.679 -14.571 13.026 1.00 0.00 O ATOM 0 H ASP A 50 4.244 -9.969 13.427 1.00 0.00 H new ATOM 0 HA ASP A 50 5.933 -11.367 11.831 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.183 -12.175 14.004 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.500 -12.136 13.517 1.00 0.00 H new ATOM 415 N ALA A 51 2.808 -11.759 10.822 1.00 0.00 N ATOM 416 CA ALA A 51 1.934 -12.171 9.739 1.00 0.00 C ATOM 417 C ALA A 51 2.347 -11.543 8.403 1.00 0.00 C ATOM 418 O ALA A 51 2.513 -12.275 7.427 1.00 0.00 O ATOM 419 CB ALA A 51 0.485 -11.858 10.102 1.00 0.00 C ATOM 0 H ALA A 51 2.307 -11.419 11.643 1.00 0.00 H new ATOM 0 HA ALA A 51 2.027 -13.249 9.604 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.169 -12.168 9.287 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.213 -12.396 11.010 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.375 -10.786 10.268 1.00 0.00 H new ATOM 420 N ASN A 52 2.540 -10.217 8.344 1.00 0.00 N ATOM 421 CA ASN A 52 3.017 -9.576 7.120 1.00 0.00 C ATOM 422 C ASN A 52 4.345 -10.206 6.685 1.00 0.00 C ATOM 423 O ASN A 52 4.449 -10.680 5.555 1.00 0.00 O ATOM 424 CB ASN A 52 3.091 -8.047 7.279 1.00 0.00 C ATOM 425 CG ASN A 52 3.466 -7.330 5.977 1.00 0.00 C ATOM 426 OD1 ASN A 52 3.955 -7.948 5.039 1.00 0.00 O ATOM 427 ND2 ASN A 52 3.232 -6.025 5.881 1.00 0.00 N ATOM 0 H ASN A 52 2.374 -9.578 9.122 1.00 0.00 H new ATOM 0 HA ASN A 52 2.299 -9.752 6.319 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.127 -7.676 7.628 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.824 -7.802 8.047 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.460 -5.528 5.020 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.824 -5.521 6.668 1.00 0.00 H new ATOM 428 N ILE A 53 5.330 -10.286 7.587 1.00 0.00 N ATOM 429 CA ILE A 53 6.625 -10.893 7.283 1.00 0.00 C ATOM 430 C ILE A 53 6.457 -12.290 6.667 1.00 0.00 C ATOM 431 O ILE A 53 6.992 -12.561 5.597 1.00 0.00 O ATOM 432 CB ILE A 53 7.530 -10.905 8.533 1.00 0.00 C ATOM 433 CG1 ILE A 53 7.890 -9.462 8.925 1.00 0.00 C ATOM 434 CG2 ILE A 53 8.810 -11.711 8.264 1.00 0.00 C ATOM 435 CD1 ILE A 53 8.515 -9.361 10.319 1.00 0.00 C ATOM 0 H ILE A 53 5.250 -9.934 8.541 1.00 0.00 H new ATOM 0 HA ILE A 53 7.123 -10.281 6.531 1.00 0.00 H new ATOM 0 HB ILE A 53 6.990 -11.378 9.353 1.00 0.00 H new ATOM 0 HG12 ILE A 53 8.585 -9.054 8.191 1.00 0.00 H new ATOM 0 HG13 ILE A 53 6.991 -8.846 8.890 1.00 0.00 H new ATOM 0 HG21 ILE A 53 9.436 -11.708 9.156 1.00 0.00 H new ATOM 0 HG22 ILE A 53 8.547 -12.737 8.008 1.00 0.00 H new ATOM 0 HG23 ILE A 53 9.357 -11.260 7.436 1.00 0.00 H new ATOM 0 HD11 ILE A 53 8.747 -8.319 10.539 1.00 0.00 H new ATOM 0 HD12 ILE A 53 7.813 -9.741 11.061 1.00 0.00 H new ATOM 0 HD13 ILE A 53 9.431 -9.951 10.351 1.00 0.00 H new ATOM 436 N LYS A 54 5.719 -13.194 7.319 1.00 0.00 N ATOM 437 CA LYS A 54 5.504 -14.535 6.778 1.00 0.00 C ATOM 438 C LYS A 54 4.686 -14.526 5.480 1.00 0.00 C ATOM 439 O LYS A 54 4.785 -15.468 4.697 1.00 0.00 O ATOM 440 CB LYS A 54 4.901 -15.477 7.830 1.00 0.00 C ATOM 441 CG LYS A 54 5.985 -16.078 8.747 1.00 0.00 C ATOM 442 CD LYS A 54 5.524 -17.368 9.457 1.00 0.00 C ATOM 443 CE LYS A 54 4.949 -17.154 10.862 1.00 0.00 C ATOM 444 NZ LYS A 54 4.065 -15.982 10.927 1.00 0.00 N ATOM 0 H LYS A 54 5.264 -13.021 8.216 1.00 0.00 H new ATOM 0 HA LYS A 54 6.487 -14.926 6.514 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.176 -14.931 8.434 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.360 -16.281 7.331 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.875 -16.293 8.156 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.270 -15.339 9.496 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.769 -17.856 8.841 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.370 -18.051 9.526 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.395 -18.042 11.165 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.766 -17.030 11.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.646 -15.915 11.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.614 -15.121 10.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.308 -16.079 10.221 1.00 0.00 H new ATOM 445 N LYS A 55 3.921 -13.466 5.210 1.00 0.00 N ATOM 446 CA LYS A 55 3.236 -13.249 3.939 1.00 0.00 C ATOM 447 C LYS A 55 4.110 -12.368 3.026 1.00 0.00 C ATOM 448 O LYS A 55 3.588 -11.513 2.321 1.00 0.00 O ATOM 449 CB LYS A 55 1.845 -12.655 4.227 1.00 0.00 C ATOM 450 CG LYS A 55 0.846 -12.668 3.055 1.00 0.00 C ATOM 451 CD LYS A 55 0.453 -14.051 2.516 1.00 0.00 C ATOM 452 CE LYS A 55 -0.280 -14.877 3.584 1.00 0.00 C ATOM 453 NZ LYS A 55 -0.832 -16.130 3.032 1.00 0.00 N ATOM 0 H LYS A 55 3.759 -12.719 5.886 1.00 0.00 H new ATOM 0 HA LYS A 55 3.082 -14.185 3.401 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.404 -13.203 5.060 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.974 -11.624 4.556 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.061 -12.153 3.372 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.271 -12.089 2.235 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.186 -13.935 1.641 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.346 -14.584 2.190 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.408 -15.111 4.397 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.087 -14.282 4.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.318 -16.657 3.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.508 -15.907 2.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.059 -16.710 2.647 1.00 0.00 H new ATOM 454 N ASN A 56 5.428 -12.611 3.057 1.00 0.00 N ATOM 455 CA ASN A 56 6.551 -11.899 2.427 1.00 0.00 C ATOM 456 C ASN A 56 6.377 -11.546 0.932 1.00 0.00 C ATOM 457 O ASN A 56 7.114 -12.029 0.071 1.00 0.00 O ATOM 458 CB ASN A 56 7.819 -12.760 2.648 1.00 0.00 C ATOM 459 CG ASN A 56 9.072 -11.947 2.962 1.00 0.00 C ATOM 460 OD1 ASN A 56 9.115 -10.734 2.806 1.00 0.00 O ATOM 461 ND2 ASN A 56 10.125 -12.617 3.426 1.00 0.00 N ATOM 0 H ASN A 56 5.775 -13.409 3.589 1.00 0.00 H new ATOM 0 HA ASN A 56 6.620 -10.921 2.904 1.00 0.00 H new ATOM 0 HB2 ASN A 56 7.635 -13.456 3.466 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.000 -13.358 1.755 1.00 0.00 H new ATOM 0 HD21 ASN A 56 10.985 -12.119 3.657 1.00 0.00 H new ATOM 0 HD22 ASN A 56 10.072 -13.628 3.550 1.00 0.00 H new ATOM 462 N VAL A 57 5.412 -10.691 0.601 1.00 0.00 N ATOM 463 CA VAL A 57 4.921 -10.442 -0.750 1.00 0.00 C ATOM 464 C VAL A 57 5.739 -9.347 -1.444 1.00 0.00 C ATOM 465 O VAL A 57 5.868 -8.250 -0.911 1.00 0.00 O ATOM 466 CB VAL A 57 3.417 -10.111 -0.650 1.00 0.00 C ATOM 467 CG1 VAL A 57 2.909 -9.134 -1.712 1.00 0.00 C ATOM 468 CG2 VAL A 57 2.610 -11.412 -0.732 1.00 0.00 C ATOM 0 H VAL A 57 4.929 -10.127 1.301 1.00 0.00 H new ATOM 0 HA VAL A 57 5.043 -11.325 -1.377 1.00 0.00 H new ATOM 0 HB VAL A 57 3.280 -9.610 0.308 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.843 -8.959 -1.565 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.447 -8.190 -1.625 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.075 -9.556 -2.703 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.546 -11.185 -0.662 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.814 -11.907 -1.681 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.896 -12.070 0.089 1.00 0.00 H new ATOM 469 N LEU A 58 6.264 -9.639 -2.641 1.00 0.00 N ATOM 470 CA LEU A 58 7.131 -8.785 -3.462 1.00 0.00 C ATOM 471 C LEU A 58 6.581 -7.372 -3.718 1.00 0.00 C ATOM 472 O LEU A 58 7.342 -6.456 -4.030 1.00 0.00 O ATOM 473 CB LEU A 58 7.395 -9.530 -4.778 1.00 0.00 C ATOM 474 CG LEU A 58 8.437 -8.853 -5.688 1.00 0.00 C ATOM 475 CD1 LEU A 58 9.372 -9.907 -6.287 1.00 0.00 C ATOM 476 CD2 LEU A 58 7.767 -8.083 -6.834 1.00 0.00 C ATOM 0 H LEU A 58 6.082 -10.536 -3.091 1.00 0.00 H new ATOM 0 HA LEU A 58 8.054 -8.609 -2.910 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.731 -10.541 -4.549 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.457 -9.622 -5.325 1.00 0.00 H new ATOM 0 HG LEU A 58 9.001 -8.150 -5.074 1.00 0.00 H new ATOM 0 HD11 LEU A 58 10.106 -9.420 -6.929 1.00 0.00 H new ATOM 0 HD12 LEU A 58 9.886 -10.435 -5.484 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.791 -10.617 -6.875 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.532 -7.618 -7.456 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.177 -8.771 -7.439 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.116 -7.312 -6.422 1.00 0.00 H new ATOM 477 N TRP A 59 5.259 -7.211 -3.645 1.00 0.00 N ATOM 478 CA TRP A 59 4.557 -5.991 -4.010 1.00 0.00 C ATOM 479 C TRP A 59 4.731 -5.668 -5.493 1.00 0.00 C ATOM 480 O TRP A 59 5.073 -4.552 -5.871 1.00 0.00 O ATOM 481 CB TRP A 59 4.872 -4.822 -3.055 1.00 0.00 C ATOM 482 CG TRP A 59 4.354 -4.960 -1.649 1.00 0.00 C ATOM 483 CD1 TRP A 59 5.059 -4.717 -0.518 1.00 0.00 C ATOM 484 CD2 TRP A 59 3.033 -5.397 -1.201 1.00 0.00 C ATOM 485 NE1 TRP A 59 4.262 -4.949 0.588 1.00 0.00 N ATOM 486 CE2 TRP A 59 3.031 -5.442 0.224 1.00 0.00 C ATOM 487 CE3 TRP A 59 1.833 -5.776 -1.845 1.00 0.00 C ATOM 488 CZ2 TRP A 59 1.935 -5.903 0.964 1.00 0.00 C ATOM 489 CZ3 TRP A 59 0.753 -6.296 -1.119 1.00 0.00 C ATOM 490 CH2 TRP A 59 0.812 -6.387 0.282 1.00 0.00 C ATOM 0 H TRP A 59 4.634 -7.949 -3.321 1.00 0.00 H new ATOM 0 HA TRP A 59 3.489 -6.165 -3.876 1.00 0.00 H new ATOM 0 HB2 TRP A 59 5.954 -4.696 -3.012 1.00 0.00 H new ATOM 0 HB3 TRP A 59 4.462 -3.908 -3.484 1.00 0.00 H new ATOM 0 HD1 TRP A 59 6.088 -4.391 -0.485 1.00 0.00 H new ATOM 0 HE1 TRP A 59 4.550 -4.776 1.551 1.00 0.00 H new ATOM 0 HE3 TRP A 59 1.747 -5.663 -2.916 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 1.956 -5.885 2.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -0.132 -6.630 -1.641 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -0.006 -6.829 0.831 1.00 0.00 H new ATOM 491 N ASP A 60 4.402 -6.642 -6.346 1.00 0.00 N ATOM 492 CA ASP A 60 3.980 -6.356 -7.705 1.00 0.00 C ATOM 493 C ASP A 60 2.537 -5.844 -7.681 1.00 0.00 C ATOM 494 O ASP A 60 1.855 -5.867 -6.655 1.00 0.00 O ATOM 495 CB ASP A 60 4.056 -7.627 -8.552 1.00 0.00 C ATOM 496 CG ASP A 60 3.050 -8.628 -8.020 1.00 0.00 C ATOM 497 OD1 ASP A 60 3.433 -9.333 -7.064 1.00 0.00 O ATOM 498 OD2 ASP A 60 1.888 -8.588 -8.478 1.00 0.00 O ATOM 0 H ASP A 60 4.422 -7.635 -6.112 1.00 0.00 H new ATOM 0 HA ASP A 60 4.635 -5.601 -8.138 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.845 -7.398 -9.596 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.062 -8.046 -8.515 1.00 0.00 H new ATOM 499 N GLU A 61 2.074 -5.404 -8.846 1.00 0.00 N ATOM 500 CA GLU A 61 0.788 -4.764 -9.047 1.00 0.00 C ATOM 501 C GLU A 61 -0.379 -5.745 -8.904 1.00 0.00 C ATOM 502 O GLU A 61 -1.481 -5.342 -8.530 1.00 0.00 O ATOM 503 CB GLU A 61 0.824 -4.110 -10.432 1.00 0.00 C ATOM 504 CG GLU A 61 1.903 -3.034 -10.485 1.00 0.00 C ATOM 505 CD GLU A 61 2.386 -2.786 -11.900 1.00 0.00 C ATOM 506 OE1 GLU A 61 3.344 -3.496 -12.283 1.00 0.00 O ATOM 507 OE2 GLU A 61 1.946 -1.790 -12.506 1.00 0.00 O ATOM 0 H GLU A 61 2.610 -5.489 -9.709 1.00 0.00 H new ATOM 0 HA GLU A 61 0.618 -4.012 -8.276 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.018 -4.866 -11.193 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -0.148 -3.671 -10.659 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.511 -2.106 -10.067 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.745 -3.334 -9.861 1.00 0.00 H new ATOM 508 N ASN A 62 -0.156 -7.028 -9.196 1.00 0.00 N ATOM 509 CA ASN A 62 -1.199 -8.038 -9.144 1.00 0.00 C ATOM 510 C ASN A 62 -1.452 -8.382 -7.672 1.00 0.00 C ATOM 511 O ASN A 62 -2.587 -8.317 -7.196 1.00 0.00 O ATOM 512 CB ASN A 62 -0.791 -9.240 -10.012 1.00 0.00 C ATOM 513 CG ASN A 62 -2.010 -9.986 -10.550 1.00 0.00 C ATOM 514 OD1 ASN A 62 -2.669 -10.698 -9.802 1.00 0.00 O ATOM 515 ND2 ASN A 62 -2.339 -9.842 -11.836 1.00 0.00 N ATOM 0 H ASN A 62 0.756 -7.390 -9.475 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.141 -7.680 -9.559 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -0.178 -8.896 -10.845 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -0.177 -9.922 -9.424 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -3.152 -10.330 -12.212 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -1.777 -9.244 -12.442 1.00 0.00 H new ATOM 516 N ASN A 63 -0.378 -8.640 -6.916 1.00 0.00 N ATOM 517 CA ASN A 63 -0.453 -8.765 -5.458 1.00 0.00 C ATOM 518 C ASN A 63 -1.080 -7.511 -4.851 1.00 0.00 C ATOM 519 O ASN A 63 -2.031 -7.605 -4.072 1.00 0.00 O ATOM 520 CB ASN A 63 0.933 -8.983 -4.832 1.00 0.00 C ATOM 521 CG ASN A 63 1.270 -10.458 -4.652 1.00 0.00 C ATOM 522 OD1 ASN A 63 0.794 -11.088 -3.715 1.00 0.00 O ATOM 523 ND2 ASN A 63 2.109 -11.028 -5.505 1.00 0.00 N ATOM 0 H ASN A 63 0.560 -8.767 -7.295 1.00 0.00 H new ATOM 0 HA ASN A 63 -1.072 -9.636 -5.241 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.690 -8.516 -5.462 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.973 -8.484 -3.864 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.369 -12.007 -5.388 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.495 -10.487 -6.279 1.00 0.00 H new ATOM 524 N MET A 64 -0.535 -6.338 -5.192 1.00 0.00 N ATOM 525 CA MET A 64 -1.012 -5.072 -4.652 1.00 0.00 C ATOM 526 C MET A 64 -2.510 -4.913 -4.916 1.00 0.00 C ATOM 527 O MET A 64 -3.239 -4.495 -4.021 1.00 0.00 O ATOM 528 CB MET A 64 -0.207 -3.899 -5.231 1.00 0.00 C ATOM 529 CG MET A 64 -0.462 -2.588 -4.473 1.00 0.00 C ATOM 530 SD MET A 64 0.147 -2.511 -2.766 1.00 0.00 S ATOM 531 CE MET A 64 1.942 -2.462 -3.019 1.00 0.00 C ATOM 0 H MET A 64 0.243 -6.245 -5.845 1.00 0.00 H new ATOM 0 HA MET A 64 -0.862 -5.070 -3.572 1.00 0.00 H new ATOM 0 HB2 MET A 64 0.856 -4.137 -5.194 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.467 -3.766 -6.281 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.005 -1.774 -5.036 1.00 0.00 H new ATOM 0 HG3 MET A 64 -1.536 -2.404 -4.461 1.00 0.00 H new ATOM 0 HE1 MET A 64 2.444 -2.395 -2.054 1.00 0.00 H new ATOM 0 HE2 MET A 64 2.262 -3.369 -3.533 1.00 0.00 H new ATOM 0 HE3 MET A 64 2.201 -1.592 -3.623 1.00 0.00 H new ATOM 532 N SER A 65 -2.977 -5.249 -6.126 1.00 0.00 N ATOM 533 CA SER A 65 -4.399 -5.238 -6.437 1.00 0.00 C ATOM 534 C SER A 65 -5.185 -6.022 -5.390 1.00 0.00 C ATOM 535 O SER A 65 -6.083 -5.462 -4.756 1.00 0.00 O ATOM 536 CB SER A 65 -4.664 -5.754 -7.864 1.00 0.00 C ATOM 537 OG SER A 65 -6.056 -5.839 -8.140 1.00 0.00 O ATOM 0 H SER A 65 -2.381 -5.532 -6.904 1.00 0.00 H new ATOM 0 HA SER A 65 -4.748 -4.206 -6.405 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.189 -5.089 -8.586 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.208 -6.736 -7.987 1.00 0.00 H new ATOM 0 HG SER A 65 -6.219 -6.561 -8.783 1.00 0.00 H new ATOM 538 N GLU A 66 -4.874 -7.309 -5.222 1.00 0.00 N ATOM 539 CA GLU A 66 -5.634 -8.157 -4.314 1.00 0.00 C ATOM 540 C GLU A 66 -5.592 -7.578 -2.899 1.00 0.00 C ATOM 541 O GLU A 66 -6.625 -7.382 -2.256 1.00 0.00 O ATOM 542 CB GLU A 66 -5.091 -9.591 -4.354 1.00 0.00 C ATOM 543 CG GLU A 66 -6.079 -10.585 -3.724 1.00 0.00 C ATOM 544 CD GLU A 66 -7.433 -10.600 -4.422 1.00 0.00 C ATOM 545 OE1 GLU A 66 -7.470 -11.077 -5.576 1.00 0.00 O ATOM 546 OE2 GLU A 66 -8.401 -10.119 -3.795 1.00 0.00 O ATOM 0 H GLU A 66 -4.106 -7.780 -5.701 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.676 -8.187 -4.632 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.894 -9.878 -5.387 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.140 -9.636 -3.823 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.649 -11.586 -3.756 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.221 -10.332 -2.673 1.00 0.00 H new ATOM 547 N TYR A 67 -4.381 -7.264 -2.434 1.00 0.00 N ATOM 548 CA TYR A 67 -4.186 -6.665 -1.123 1.00 0.00 C ATOM 549 C TYR A 67 -5.092 -5.450 -0.938 1.00 0.00 C ATOM 550 O TYR A 67 -5.895 -5.412 -0.016 1.00 0.00 O ATOM 551 CB TYR A 67 -2.720 -6.290 -0.913 1.00 0.00 C ATOM 552 CG TYR A 67 -2.458 -5.671 0.447 1.00 0.00 C ATOM 553 CD1 TYR A 67 -2.486 -6.480 1.595 1.00 0.00 C ATOM 554 CD2 TYR A 67 -2.328 -4.277 0.584 1.00 0.00 C ATOM 555 CE1 TYR A 67 -2.393 -5.905 2.872 1.00 0.00 C ATOM 556 CE2 TYR A 67 -2.276 -3.698 1.864 1.00 0.00 C ATOM 557 CZ TYR A 67 -2.315 -4.511 3.010 1.00 0.00 C ATOM 558 OH TYR A 67 -2.533 -3.965 4.238 1.00 0.00 O ATOM 0 H TYR A 67 -3.518 -7.418 -2.955 1.00 0.00 H new ATOM 0 HA TYR A 67 -4.458 -7.403 -0.369 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.102 -7.181 -1.026 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.414 -5.590 -1.690 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.580 -7.551 1.494 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.268 -3.651 -0.294 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.381 -6.536 3.749 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.206 -2.625 1.967 1.00 0.00 H new ATOM 0 HH TYR A 67 -2.445 -2.990 4.183 1.00 0.00 H new ATOM 559 N LEU A 68 -4.985 -4.452 -1.810 1.00 0.00 N ATOM 560 CA LEU A 68 -5.785 -3.246 -1.686 1.00 0.00 C ATOM 561 C LEU A 68 -7.280 -3.536 -1.758 1.00 0.00 C ATOM 562 O LEU A 68 -8.068 -2.908 -1.054 1.00 0.00 O ATOM 563 CB LEU A 68 -5.392 -2.245 -2.757 1.00 0.00 C ATOM 564 CG LEU A 68 -4.010 -1.612 -2.531 1.00 0.00 C ATOM 565 CD1 LEU A 68 -3.745 -0.613 -3.657 1.00 0.00 C ATOM 566 CD2 LEU A 68 -3.889 -0.876 -1.193 1.00 0.00 C ATOM 0 H LEU A 68 -4.351 -4.458 -2.609 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.584 -2.822 -0.702 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.400 -2.742 -3.727 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.142 -1.455 -2.797 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.283 -2.424 -2.519 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.767 -0.153 -3.513 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.764 -1.132 -4.616 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.514 0.159 -3.647 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.888 -0.454 -1.099 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.627 -0.075 -1.151 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.066 -1.575 -0.376 1.00 0.00 H new ATOM 567 N THR A 69 -7.679 -4.463 -2.623 1.00 0.00 N ATOM 568 CA THR A 69 -9.057 -4.931 -2.665 1.00 0.00 C ATOM 569 C THR A 69 -9.498 -5.471 -1.295 1.00 0.00 C ATOM 570 O THR A 69 -10.599 -5.145 -0.853 1.00 0.00 O ATOM 571 CB THR A 69 -9.269 -5.933 -3.811 1.00 0.00 C ATOM 572 OG1 THR A 69 -8.815 -5.354 -5.019 1.00 0.00 O ATOM 573 CG2 THR A 69 -10.754 -6.259 -3.994 1.00 0.00 C ATOM 0 H THR A 69 -7.064 -4.905 -3.306 1.00 0.00 H new ATOM 0 HA THR A 69 -9.706 -4.083 -2.882 1.00 0.00 H new ATOM 0 HB THR A 69 -8.721 -6.843 -3.567 1.00 0.00 H new ATOM 0 HG1 THR A 69 -7.837 -5.298 -5.007 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.872 -6.970 -4.812 1.00 0.00 H new ATOM 0 HG22 THR A 69 -11.147 -6.694 -3.075 1.00 0.00 H new ATOM 0 HG23 THR A 69 -11.301 -5.345 -4.226 1.00 0.00 H new ATOM 574 N ASN A 70 -8.670 -6.268 -0.602 1.00 0.00 N ATOM 575 CA ASN A 70 -9.022 -6.774 0.729 1.00 0.00 C ATOM 576 C ASN A 70 -7.799 -7.072 1.618 1.00 0.00 C ATOM 577 O ASN A 70 -7.356 -8.223 1.708 1.00 0.00 O ATOM 578 CB ASN A 70 -9.958 -7.970 0.603 1.00 0.00 C ATOM 579 CG ASN A 70 -10.626 -8.311 1.932 1.00 0.00 C ATOM 580 OD1 ASN A 70 -10.223 -7.843 2.994 1.00 0.00 O ATOM 581 ND2 ASN A 70 -11.677 -9.126 1.886 1.00 0.00 N ATOM 0 H ASN A 70 -7.758 -6.573 -0.941 1.00 0.00 H new ATOM 0 HA ASN A 70 -9.551 -5.976 1.250 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -10.723 -7.756 -0.143 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -9.397 -8.834 0.246 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -12.167 -9.375 2.745 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -11.992 -9.502 0.992 1.00 0.00 H new ATOM 582 N PRO A 71 -7.261 -6.058 2.319 1.00 0.00 N ATOM 583 CA PRO A 71 -5.936 -6.139 2.917 1.00 0.00 C ATOM 584 C PRO A 71 -5.889 -7.177 4.025 1.00 0.00 C ATOM 585 O PRO A 71 -5.054 -8.076 4.011 1.00 0.00 O ATOM 586 CB PRO A 71 -5.601 -4.732 3.425 1.00 0.00 C ATOM 587 CG PRO A 71 -6.932 -3.985 3.445 1.00 0.00 C ATOM 588 CD PRO A 71 -7.806 -4.714 2.427 1.00 0.00 C ATOM 0 HA PRO A 71 -5.195 -6.465 2.187 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -5.155 -4.768 4.419 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -4.882 -4.238 2.771 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -7.381 -4.005 4.438 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -6.801 -2.937 3.175 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -8.846 -4.740 2.753 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -7.787 -4.207 1.462 1.00 0.00 H new ATOM 601 N LYS A 73 -7.675 -9.637 4.629 1.00 0.00 N ATOM 602 CA LYS A 73 -7.920 -10.996 4.183 1.00 0.00 C ATOM 603 C LYS A 73 -6.625 -11.511 3.565 1.00 0.00 C ATOM 604 O LYS A 73 -6.165 -12.601 3.896 1.00 0.00 O ATOM 605 CB LYS A 73 -9.074 -10.993 3.175 1.00 0.00 C ATOM 606 CG LYS A 73 -9.674 -12.382 2.915 1.00 0.00 C ATOM 607 CD LYS A 73 -10.664 -12.771 4.023 1.00 0.00 C ATOM 608 CE LYS A 73 -11.316 -14.128 3.717 1.00 0.00 C ATOM 609 NZ LYS A 73 -12.349 -14.484 4.713 1.00 0.00 N ATOM 0 HA LYS A 73 -8.209 -11.650 5.006 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.860 -10.331 3.538 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.719 -10.579 2.231 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.182 -12.388 1.950 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -8.876 -13.122 2.860 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.145 -12.819 4.981 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.434 -12.005 4.115 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.765 -14.099 2.724 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.549 -14.902 3.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -12.763 -15.406 4.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -11.917 -14.538 5.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.095 -13.759 4.714 1.00 0.00 H new ATOM 610 N TYR A 74 -6.042 -10.714 2.665 1.00 0.00 N ATOM 611 CA TYR A 74 -4.846 -11.101 1.939 1.00 0.00 C ATOM 612 C TYR A 74 -3.656 -11.304 2.886 1.00 0.00 C ATOM 613 O TYR A 74 -2.918 -12.284 2.765 1.00 0.00 O ATOM 614 CB TYR A 74 -4.562 -10.065 0.846 1.00 0.00 C ATOM 615 CG TYR A 74 -3.677 -10.609 -0.251 1.00 0.00 C ATOM 616 CD1 TYR A 74 -4.190 -11.605 -1.101 1.00 0.00 C ATOM 617 CD2 TYR A 74 -2.317 -10.261 -0.321 1.00 0.00 C ATOM 618 CE1 TYR A 74 -3.336 -12.298 -1.970 1.00 0.00 C ATOM 619 CE2 TYR A 74 -1.473 -10.922 -1.228 1.00 0.00 C ATOM 620 CZ TYR A 74 -1.976 -11.961 -2.033 1.00 0.00 C ATOM 621 OH TYR A 74 -1.146 -12.717 -2.802 1.00 0.00 O ATOM 0 H TYR A 74 -6.391 -9.786 2.425 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.009 -12.065 1.458 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.505 -9.729 0.415 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.087 -9.192 1.292 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -5.245 -11.837 -1.084 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -1.922 -9.487 0.321 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -3.725 -13.091 -2.591 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -0.436 -10.632 -1.308 1.00 0.00 H new ATOM 0 HH TYR A 74 -0.481 -12.139 -3.231 1.00 0.00 H new ATOM 622 N ILE A 75 -3.497 -10.398 3.856 1.00 0.00 N ATOM 623 CA ILE A 75 -2.579 -10.554 4.979 1.00 0.00 C ATOM 624 C ILE A 75 -3.448 -10.755 6.228 1.00 0.00 C ATOM 625 O ILE A 75 -3.914 -9.772 6.802 1.00 0.00 O ATOM 626 CB ILE A 75 -1.631 -9.339 5.099 1.00 0.00 C ATOM 627 CG1 ILE A 75 -0.835 -9.158 3.794 1.00 0.00 C ATOM 628 CG2 ILE A 75 -0.674 -9.528 6.293 1.00 0.00 C ATOM 629 CD1 ILE A 75 0.281 -8.114 3.872 1.00 0.00 C ATOM 0 H ILE A 75 -4.015 -9.520 3.879 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.923 -11.413 4.842 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.226 -8.442 5.270 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.399 -10.117 3.513 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.525 -8.876 2.999 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.011 -8.666 6.368 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.253 -9.621 7.212 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.081 -10.430 6.145 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.789 -8.052 2.910 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.146 -7.142 4.120 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.996 -8.403 4.642 1.00 0.00 H new ATOM 630 N PRO A 76 -3.698 -12.002 6.666 1.00 0.00 N ATOM 631 CA PRO A 76 -4.565 -12.282 7.803 1.00 0.00 C ATOM 632 C PRO A 76 -3.826 -11.978 9.111 1.00 0.00 C ATOM 633 O PRO A 76 -3.485 -12.878 9.875 1.00 0.00 O ATOM 634 CB PRO A 76 -4.945 -13.759 7.652 1.00 0.00 C ATOM 635 CG PRO A 76 -3.702 -14.361 6.999 1.00 0.00 C ATOM 636 CD PRO A 76 -3.228 -13.242 6.070 1.00 0.00 C ATOM 0 HA PRO A 76 -5.461 -11.662 7.831 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -5.161 -14.222 8.615 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -5.831 -13.888 7.031 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -2.944 -14.621 7.737 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.936 -15.272 6.448 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -2.142 -13.244 5.979 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -3.632 -13.370 5.066 1.00 0.00 H new ATOM 637 N GLY A 77 -3.565 -10.693 9.357 1.00 0.00 N ATOM 638 CA GLY A 77 -2.790 -10.219 10.489 1.00 0.00 C ATOM 639 C GLY A 77 -2.123 -8.907 10.100 1.00 0.00 C ATOM 640 O GLY A 77 -0.925 -8.858 9.835 1.00 0.00 O ATOM 0 H GLY A 77 -3.898 -9.940 8.755 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.435 -10.074 11.356 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.039 -10.957 10.770 1.00 0.00 H new ATOM 641 N THR A 78 -2.911 -7.838 10.043 1.00 0.00 N ATOM 642 CA THR A 78 -2.436 -6.506 9.722 1.00 0.00 C ATOM 643 C THR A 78 -3.200 -5.524 10.600 1.00 0.00 C ATOM 644 O THR A 78 -4.391 -5.712 10.857 1.00 0.00 O ATOM 645 CB THR A 78 -2.603 -6.208 8.221 1.00 0.00 C ATOM 646 OG1 THR A 78 -2.361 -4.845 7.977 1.00 0.00 O ATOM 647 CG2 THR A 78 -4.002 -6.504 7.686 1.00 0.00 C ATOM 0 H THR A 78 -3.914 -7.879 10.222 1.00 0.00 H new ATOM 0 HA THR A 78 -1.369 -6.415 9.924 1.00 0.00 H new ATOM 0 HB THR A 78 -1.891 -6.860 7.716 1.00 0.00 H new ATOM 0 HG1 THR A 78 -1.705 -4.509 8.622 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.042 -6.269 6.622 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.232 -7.559 7.834 1.00 0.00 H new ATOM 0 HG23 THR A 78 -4.732 -5.895 8.220 1.00 0.00 H new ATOM 648 N LYS A 79 -2.509 -4.475 11.046 1.00 0.00 N ATOM 649 CA LYS A 79 -3.124 -3.341 11.712 1.00 0.00 C ATOM 650 C LYS A 79 -3.974 -2.526 10.723 1.00 0.00 C ATOM 651 O LYS A 79 -4.726 -1.645 11.141 1.00 0.00 O ATOM 652 CB LYS A 79 -2.002 -2.512 12.360 1.00 0.00 C ATOM 653 CG LYS A 79 -2.522 -1.255 13.064 1.00 0.00 C ATOM 654 CD LYS A 79 -1.413 -0.638 13.930 1.00 0.00 C ATOM 655 CE LYS A 79 -1.796 0.744 14.480 1.00 0.00 C ATOM 656 NZ LYS A 79 -3.021 0.708 15.309 1.00 0.00 N ATOM 0 H LYS A 79 -1.497 -4.394 10.951 1.00 0.00 H new ATOM 0 HA LYS A 79 -3.811 -3.671 12.491 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -1.469 -3.132 13.081 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.282 -2.222 11.594 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -2.863 -0.530 12.325 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -3.382 -1.506 13.685 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -1.191 -1.307 14.761 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -0.501 -0.550 13.339 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -0.971 1.135 15.075 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -1.945 1.433 13.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -3.225 1.662 15.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -3.821 0.377 14.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -2.879 0.059 16.110 1.00 0.00 H new ATOM 657 N ALA A 80 -3.835 -2.779 9.418 1.00 0.00 N ATOM 658 CA ALA A 80 -4.475 -2.019 8.359 1.00 0.00 C ATOM 659 C ALA A 80 -6.002 -2.101 8.400 1.00 0.00 C ATOM 660 O ALA A 80 -6.625 -2.833 7.631 1.00 0.00 O ATOM 661 CB ALA A 80 -3.932 -2.482 7.009 1.00 0.00 C ATOM 0 H ALA A 80 -3.256 -3.542 9.067 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.234 -0.967 8.512 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -4.410 -1.914 6.211 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -2.855 -2.320 6.975 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.144 -3.543 6.876 1.00 0.00 H new ATOM 662 N ALA A 81 -6.624 -1.288 9.254 1.00 0.00 N ATOM 663 CA ALA A 81 -8.063 -1.068 9.272 1.00 0.00 C ATOM 664 C ALA A 81 -8.506 -0.212 8.077 1.00 0.00 C ATOM 665 O ALA A 81 -9.182 0.800 8.253 1.00 0.00 O ATOM 666 CB ALA A 81 -8.457 -0.438 10.613 1.00 0.00 C ATOM 0 H ALA A 81 -6.127 -0.754 9.967 1.00 0.00 H new ATOM 0 HA ALA A 81 -8.580 -2.022 9.174 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -9.534 -0.270 10.634 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.178 -1.109 11.426 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.939 0.513 10.734 1.00 0.00 H new ATOM 667 N PHE A 82 -8.141 -0.627 6.862 1.00 0.00 N ATOM 668 CA PHE A 82 -8.624 -0.047 5.620 1.00 0.00 C ATOM 669 C PHE A 82 -9.774 -0.928 5.133 1.00 0.00 C ATOM 670 O PHE A 82 -9.667 -2.153 5.154 1.00 0.00 O ATOM 671 CB PHE A 82 -7.481 0.028 4.595 1.00 0.00 C ATOM 672 CG PHE A 82 -7.881 0.443 3.186 1.00 0.00 C ATOM 673 CD1 PHE A 82 -8.843 1.449 2.966 1.00 0.00 C ATOM 674 CD2 PHE A 82 -7.321 -0.224 2.081 1.00 0.00 C ATOM 675 CE1 PHE A 82 -9.355 1.664 1.673 1.00 0.00 C ATOM 676 CE2 PHE A 82 -7.823 -0.003 0.789 1.00 0.00 C ATOM 677 CZ PHE A 82 -8.868 0.912 0.590 1.00 0.00 C ATOM 0 H PHE A 82 -7.485 -1.395 6.718 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.980 0.973 5.764 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -6.734 0.732 4.963 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.000 -0.949 4.543 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -9.188 2.056 3.790 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -6.500 -0.910 2.228 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -10.122 2.407 1.513 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -7.405 -0.537 -0.052 1.00 0.00 H new ATOM 0 HZ PHE A 82 -9.297 1.038 -0.393 1.00 0.00 H new ATOM 678 N GLY A 83 -10.883 -0.306 4.724 1.00 0.00 N ATOM 679 CA GLY A 83 -12.078 -1.008 4.277 1.00 0.00 C ATOM 680 C GLY A 83 -11.844 -1.849 3.020 1.00 0.00 C ATOM 681 O GLY A 83 -12.579 -2.806 2.786 1.00 0.00 O ATOM 0 H GLY A 83 -10.972 0.710 4.695 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -12.434 -1.655 5.079 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -12.867 -0.282 4.080 1.00 0.00 H new ATOM 682 N GLY A 84 -10.847 -1.485 2.209 1.00 0.00 N ATOM 683 CA GLY A 84 -10.567 -2.129 0.937 1.00 0.00 C ATOM 684 C GLY A 84 -11.062 -1.256 -0.218 1.00 0.00 C ATOM 685 O GLY A 84 -12.023 -0.499 -0.069 1.00 0.00 O ATOM 0 H GLY A 84 -10.206 -0.722 2.427 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.496 -2.303 0.837 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.053 -3.104 0.900 1.00 0.00 H new ATOM 686 N LEU A 85 -10.381 -1.318 -1.363 1.00 0.00 N ATOM 687 CA LEU A 85 -10.830 -0.669 -2.590 1.00 0.00 C ATOM 688 C LEU A 85 -11.936 -1.510 -3.243 1.00 0.00 C ATOM 689 O LEU A 85 -12.194 -2.640 -2.835 1.00 0.00 O ATOM 690 CB LEU A 85 -9.650 -0.468 -3.550 1.00 0.00 C ATOM 691 CG LEU A 85 -8.648 0.631 -3.165 1.00 0.00 C ATOM 692 CD1 LEU A 85 -7.542 0.668 -4.224 1.00 0.00 C ATOM 693 CD2 LEU A 85 -9.289 2.027 -3.103 1.00 0.00 C ATOM 0 H LEU A 85 -9.500 -1.822 -1.463 1.00 0.00 H new ATOM 0 HA LEU A 85 -11.236 0.314 -2.351 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.110 -1.411 -3.633 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -10.047 -0.240 -4.539 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.266 0.392 -2.172 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -6.819 1.443 -3.969 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -7.040 -0.299 -4.260 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -7.979 0.886 -5.199 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -8.533 2.762 -2.826 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -9.703 2.281 -4.079 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -10.086 2.029 -2.360 1.00 0.00 H new ATOM 694 N LYS A 86 -12.602 -0.947 -4.259 1.00 0.00 N ATOM 695 CA LYS A 86 -13.702 -1.600 -4.955 1.00 0.00 C ATOM 696 C LYS A 86 -13.746 -1.184 -6.427 1.00 0.00 C ATOM 697 O LYS A 86 -13.754 -2.037 -7.311 1.00 0.00 O ATOM 698 CB LYS A 86 -15.023 -1.285 -4.227 1.00 0.00 C ATOM 699 CG LYS A 86 -15.577 -2.527 -3.517 1.00 0.00 C ATOM 700 CD LYS A 86 -16.208 -3.500 -4.529 1.00 0.00 C ATOM 701 CE LYS A 86 -16.255 -4.945 -4.010 1.00 0.00 C ATOM 702 NZ LYS A 86 -16.968 -5.070 -2.720 1.00 0.00 N ATOM 0 H LYS A 86 -12.386 -0.018 -4.619 1.00 0.00 H new ATOM 0 HA LYS A 86 -13.549 -2.679 -4.942 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -14.859 -0.490 -3.499 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -15.757 -0.915 -4.943 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -14.776 -3.029 -2.974 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -16.322 -2.228 -2.780 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -17.220 -3.169 -4.763 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -15.640 -3.470 -5.459 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -16.743 -5.577 -4.752 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -15.237 -5.318 -3.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -17.042 -6.074 -2.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -16.442 -4.560 -1.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -17.921 -4.664 -2.809 1.00 0.00 H new ATOM 703 N LYS A 87 -13.789 0.123 -6.707 1.00 0.00 N ATOM 704 CA LYS A 87 -13.803 0.612 -8.075 1.00 0.00 C ATOM 705 C LYS A 87 -12.461 0.324 -8.749 1.00 0.00 C ATOM 706 O LYS A 87 -11.495 1.064 -8.556 1.00 0.00 O ATOM 707 CB LYS A 87 -14.080 2.115 -8.092 1.00 0.00 C ATOM 708 CG LYS A 87 -15.518 2.468 -7.679 1.00 0.00 C ATOM 709 CD LYS A 87 -15.685 3.990 -7.556 1.00 0.00 C ATOM 710 CE LYS A 87 -15.717 4.702 -8.921 1.00 0.00 C ATOM 711 NZ LYS A 87 -15.120 6.051 -8.843 1.00 0.00 N ATOM 0 H LYS A 87 -13.815 0.856 -5.998 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.593 0.099 -8.623 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -13.382 2.615 -7.420 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -13.891 2.502 -9.093 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.220 2.078 -8.416 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -15.757 1.992 -6.728 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -16.607 4.207 -7.017 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -14.866 4.393 -6.961 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -15.176 4.106 -9.656 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -16.747 4.779 -9.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -14.924 6.400 -9.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -15.782 6.697 -8.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -14.232 6.007 -8.303 1.00 0.00 H new ATOM 712 N GLU A 88 -12.406 -0.718 -9.582 1.00 0.00 N ATOM 713 CA GLU A 88 -11.195 -1.041 -10.322 1.00 0.00 C ATOM 714 C GLU A 88 -10.707 0.162 -11.143 1.00 0.00 C ATOM 715 O GLU A 88 -9.505 0.415 -11.248 1.00 0.00 O ATOM 716 CB GLU A 88 -11.390 -2.297 -11.184 1.00 0.00 C ATOM 717 CG GLU A 88 -10.004 -2.892 -11.456 1.00 0.00 C ATOM 718 CD GLU A 88 -10.012 -4.156 -12.302 1.00 0.00 C ATOM 719 OE1 GLU A 88 -11.064 -4.446 -12.902 1.00 0.00 O ATOM 720 OE2 GLU A 88 -8.925 -4.785 -12.334 1.00 0.00 O ATOM 0 H GLU A 88 -13.188 -1.349 -9.757 1.00 0.00 H new ATOM 0 HA GLU A 88 -10.409 -1.270 -9.602 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -12.023 -3.020 -10.669 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.889 -2.046 -12.120 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.392 -2.141 -11.955 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.524 -3.112 -10.502 1.00 0.00 H new ATOM 721 N LYS A 89 -11.656 0.938 -11.682 1.00 0.00 N ATOM 722 CA LYS A 89 -11.420 2.196 -12.375 1.00 0.00 C ATOM 723 C LYS A 89 -10.519 3.162 -11.613 1.00 0.00 C ATOM 724 O LYS A 89 -9.798 3.946 -12.227 1.00 0.00 O ATOM 725 CB LYS A 89 -12.748 2.884 -12.658 1.00 0.00 C ATOM 726 CG LYS A 89 -13.269 2.681 -14.090 1.00 0.00 C ATOM 727 CD LYS A 89 -12.228 3.155 -15.120 1.00 0.00 C ATOM 728 CE LYS A 89 -12.857 3.606 -16.445 1.00 0.00 C ATOM 729 NZ LYS A 89 -11.831 4.067 -17.406 1.00 0.00 N ATOM 0 H LYS A 89 -12.645 0.691 -11.642 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.901 1.938 -13.298 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -13.494 2.512 -11.956 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.638 3.952 -12.471 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -13.496 1.628 -14.254 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -14.199 3.233 -14.225 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.656 3.980 -14.696 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.524 2.346 -15.315 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -13.420 2.780 -16.881 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -13.567 4.411 -16.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -12.292 4.364 -18.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -11.311 4.871 -17.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -11.168 3.291 -17.605 1.00 0.00 H new ATOM 730 N ASP A 90 -10.609 3.137 -10.291 1.00 0.00 N ATOM 731 CA ASP A 90 -9.749 3.905 -9.414 1.00 0.00 C ATOM 732 C ASP A 90 -8.512 3.105 -9.023 1.00 0.00 C ATOM 733 O ASP A 90 -7.401 3.615 -9.125 1.00 0.00 O ATOM 734 CB ASP A 90 -10.562 4.354 -8.203 1.00 0.00 C ATOM 735 CG ASP A 90 -11.500 5.500 -8.558 1.00 0.00 C ATOM 736 OD1 ASP A 90 -11.068 6.383 -9.332 1.00 0.00 O ATOM 737 OD2 ASP A 90 -12.666 5.464 -8.104 1.00 0.00 O ATOM 0 H ASP A 90 -11.296 2.571 -9.793 1.00 0.00 H new ATOM 0 HA ASP A 90 -9.382 4.791 -9.932 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -11.141 3.514 -7.819 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -9.888 4.667 -7.406 1.00 0.00 H new ATOM 738 N ARG A 91 -8.694 1.858 -8.591 1.00 0.00 N ATOM 739 CA ARG A 91 -7.587 0.961 -8.252 1.00 0.00 C ATOM 740 C ARG A 91 -6.475 0.995 -9.299 1.00 0.00 C ATOM 741 O ARG A 91 -5.330 1.243 -8.952 1.00 0.00 O ATOM 742 CB ARG A 91 -8.092 -0.468 -8.066 1.00 0.00 C ATOM 743 CG ARG A 91 -7.051 -1.409 -7.455 1.00 0.00 C ATOM 744 CD ARG A 91 -7.056 -2.770 -8.162 1.00 0.00 C ATOM 745 NE ARG A 91 -6.619 -2.668 -9.566 1.00 0.00 N ATOM 746 CZ ARG A 91 -6.956 -3.555 -10.513 1.00 0.00 C ATOM 747 NH1 ARG A 91 -7.422 -4.757 -10.188 1.00 0.00 N ATOM 748 NH2 ARG A 91 -6.896 -3.238 -11.806 1.00 0.00 N ATOM 0 H ARG A 91 -9.615 1.439 -8.465 1.00 0.00 H new ATOM 0 HA ARG A 91 -7.163 1.317 -7.313 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -8.975 -0.452 -7.427 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -8.404 -0.863 -9.033 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -6.061 -0.960 -7.531 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -7.258 -1.546 -6.394 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -6.400 -3.458 -7.628 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -8.060 -3.193 -8.125 1.00 0.00 H new ATOM 0 HE ARG A 91 -6.028 -1.880 -9.831 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -7.527 -5.015 -9.207 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -7.674 -5.421 -10.920 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -6.590 -2.307 -12.089 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -7.156 -3.926 -12.512 1.00 0.00 H new ATOM 749 N ASN A 92 -6.778 0.713 -10.568 1.00 0.00 N ATOM 750 CA ASN A 92 -5.757 0.710 -11.620 1.00 0.00 C ATOM 751 C ASN A 92 -4.942 2.014 -11.634 1.00 0.00 C ATOM 752 O ASN A 92 -3.709 1.968 -11.661 1.00 0.00 O ATOM 753 CB ASN A 92 -6.346 0.372 -13.000 1.00 0.00 C ATOM 754 CG ASN A 92 -7.025 1.561 -13.669 1.00 0.00 C ATOM 755 OD1 ASN A 92 -6.578 2.055 -14.696 1.00 0.00 O ATOM 756 ND2 ASN A 92 -8.109 2.029 -13.068 1.00 0.00 N ATOM 0 H ASN A 92 -7.718 0.485 -10.892 1.00 0.00 H new ATOM 0 HA ASN A 92 -5.058 -0.091 -11.380 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -5.550 0.004 -13.648 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -7.068 -0.437 -12.892 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -8.604 2.830 -13.460 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -8.449 1.588 -12.213 1.00 0.00 H new ATOM 757 N ASP A 93 -5.618 3.169 -11.575 1.00 0.00 N ATOM 758 CA ASP A 93 -4.955 4.469 -11.541 1.00 0.00 C ATOM 759 C ASP A 93 -4.082 4.565 -10.291 1.00 0.00 C ATOM 760 O ASP A 93 -2.887 4.837 -10.378 1.00 0.00 O ATOM 761 CB ASP A 93 -5.970 5.615 -11.568 1.00 0.00 C ATOM 762 CG ASP A 93 -6.588 5.895 -12.929 1.00 0.00 C ATOM 763 OD1 ASP A 93 -5.853 5.830 -13.942 1.00 0.00 O ATOM 764 OD2 ASP A 93 -7.788 6.247 -12.924 1.00 0.00 O ATOM 0 H ASP A 93 -6.636 3.223 -11.550 1.00 0.00 H new ATOM 0 HA ASP A 93 -4.331 4.560 -12.430 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -6.769 5.389 -10.862 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -5.480 6.522 -11.215 1.00 0.00 H new ATOM 765 N LEU A 94 -4.678 4.339 -9.120 1.00 0.00 N ATOM 766 CA LEU A 94 -3.984 4.374 -7.840 1.00 0.00 C ATOM 767 C LEU A 94 -2.728 3.497 -7.868 1.00 0.00 C ATOM 768 O LEU A 94 -1.645 3.984 -7.561 1.00 0.00 O ATOM 769 CB LEU A 94 -4.965 4.033 -6.710 1.00 0.00 C ATOM 770 CG LEU A 94 -4.347 4.015 -5.302 1.00 0.00 C ATOM 771 CD1 LEU A 94 -3.429 5.203 -4.996 1.00 0.00 C ATOM 772 CD2 LEU A 94 -5.456 4.069 -4.254 1.00 0.00 C ATOM 0 H LEU A 94 -5.672 4.124 -9.037 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.620 5.382 -7.642 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.780 4.757 -6.725 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.404 3.056 -6.911 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.758 3.099 -5.269 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.038 5.109 -3.983 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.601 5.215 -5.705 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.994 6.131 -5.082 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.015 4.056 -3.257 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.035 4.984 -4.383 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.111 3.206 -4.372 1.00 0.00 H new ATOM 773 N ILE A 95 -2.833 2.228 -8.267 1.00 0.00 N ATOM 774 CA ILE A 95 -1.685 1.344 -8.395 1.00 0.00 C ATOM 775 C ILE A 95 -0.640 1.949 -9.331 1.00 0.00 C ATOM 776 O ILE A 95 0.533 2.001 -8.969 1.00 0.00 O ATOM 777 CB ILE A 95 -2.126 -0.063 -8.809 1.00 0.00 C ATOM 778 CG1 ILE A 95 -3.036 -0.655 -7.711 1.00 0.00 C ATOM 779 CG2 ILE A 95 -0.870 -0.933 -8.997 1.00 0.00 C ATOM 780 CD1 ILE A 95 -3.698 -1.938 -8.186 1.00 0.00 C ATOM 0 H ILE A 95 -3.721 1.788 -8.510 1.00 0.00 H new ATOM 0 HA ILE A 95 -1.204 1.240 -7.422 1.00 0.00 H new ATOM 0 HB ILE A 95 -2.686 -0.031 -9.744 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -2.448 -0.855 -6.815 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -3.800 0.072 -7.435 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -1.166 -1.940 -9.292 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.239 -0.498 -9.772 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -0.315 -0.978 -8.060 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -4.333 -2.334 -7.394 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -4.304 -1.730 -9.068 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -2.932 -2.671 -8.438 1.00 0.00 H new ATOM 781 N THR A 96 -1.046 2.418 -10.513 1.00 0.00 N ATOM 782 CA THR A 96 -0.117 3.044 -11.448 1.00 0.00 C ATOM 783 C THR A 96 0.635 4.198 -10.777 1.00 0.00 C ATOM 784 O THR A 96 1.865 4.266 -10.829 1.00 0.00 O ATOM 785 CB THR A 96 -0.873 3.520 -12.695 1.00 0.00 C ATOM 786 OG1 THR A 96 -1.533 2.416 -13.281 1.00 0.00 O ATOM 787 CG2 THR A 96 0.084 4.154 -13.708 1.00 0.00 C ATOM 0 H THR A 96 -2.010 2.375 -10.842 1.00 0.00 H new ATOM 0 HA THR A 96 0.625 2.307 -11.757 1.00 0.00 H new ATOM 0 HB THR A 96 -1.600 4.277 -12.401 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.353 2.222 -12.781 1.00 0.00 H new ATOM 0 HG21 THR A 96 -0.477 4.483 -14.582 1.00 0.00 H new ATOM 0 HG22 THR A 96 0.581 5.011 -13.252 1.00 0.00 H new ATOM 0 HG23 THR A 96 0.831 3.420 -14.011 1.00 0.00 H new ATOM 788 N TYR A 97 -0.105 5.107 -10.142 1.00 0.00 N ATOM 789 CA TYR A 97 0.481 6.217 -9.416 1.00 0.00 C ATOM 790 C TYR A 97 1.469 5.693 -8.380 1.00 0.00 C ATOM 791 O TYR A 97 2.604 6.154 -8.342 1.00 0.00 O ATOM 792 CB TYR A 97 -0.609 7.058 -8.744 1.00 0.00 C ATOM 793 CG TYR A 97 -0.094 7.954 -7.634 1.00 0.00 C ATOM 794 CD1 TYR A 97 0.690 9.081 -7.939 1.00 0.00 C ATOM 795 CD2 TYR A 97 -0.250 7.559 -6.292 1.00 0.00 C ATOM 796 CE1 TYR A 97 1.249 9.851 -6.902 1.00 0.00 C ATOM 797 CE2 TYR A 97 0.360 8.293 -5.263 1.00 0.00 C ATOM 798 CZ TYR A 97 1.087 9.455 -5.564 1.00 0.00 C ATOM 799 OH TYR A 97 1.572 10.237 -4.558 1.00 0.00 O ATOM 0 H TYR A 97 -1.125 5.089 -10.121 1.00 0.00 H new ATOM 0 HA TYR A 97 1.014 6.856 -10.120 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -1.096 7.675 -9.499 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -1.370 6.392 -8.337 1.00 0.00 H new ATOM 0 HD1 TYR A 97 0.863 9.356 -8.969 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.842 6.688 -6.053 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.804 10.748 -7.135 1.00 0.00 H new ATOM 0 HE2 TYR A 97 0.270 7.963 -4.239 1.00 0.00 H new ATOM 0 HH TYR A 97 1.375 9.818 -3.694 1.00 0.00 H new ATOM 800 N LEU A 98 1.037 4.751 -7.536 1.00 0.00 N ATOM 801 CA LEU A 98 1.850 4.208 -6.456 1.00 0.00 C ATOM 802 C LEU A 98 3.159 3.678 -7.026 1.00 0.00 C ATOM 803 O LEU A 98 4.239 4.019 -6.557 1.00 0.00 O ATOM 804 CB LEU A 98 1.082 3.099 -5.715 1.00 0.00 C ATOM 805 CG LEU A 98 1.139 3.246 -4.191 1.00 0.00 C ATOM 806 CD1 LEU A 98 0.084 4.276 -3.833 1.00 0.00 C ATOM 807 CD2 LEU A 98 0.787 1.945 -3.460 1.00 0.00 C ATOM 0 H LEU A 98 0.103 4.343 -7.588 1.00 0.00 H new ATOM 0 HA LEU A 98 2.074 4.996 -5.737 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.041 3.109 -6.037 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.493 2.130 -5.997 1.00 0.00 H new ATOM 0 HG LEU A 98 2.150 3.525 -3.895 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.074 4.427 -2.754 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.313 5.219 -4.329 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.894 3.923 -4.159 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.843 2.106 -2.383 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.224 1.639 -3.729 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.491 1.164 -3.747 1.00 0.00 H new ATOM 808 N LYS A 99 3.048 2.856 -8.066 1.00 0.00 N ATOM 809 CA LYS A 99 4.174 2.298 -8.777 1.00 0.00 C ATOM 810 C LYS A 99 5.140 3.383 -9.236 1.00 0.00 C ATOM 811 O LYS A 99 6.335 3.288 -8.970 1.00 0.00 O ATOM 812 CB LYS A 99 3.657 1.458 -9.941 1.00 0.00 C ATOM 813 CG LYS A 99 4.843 0.824 -10.673 1.00 0.00 C ATOM 814 CD LYS A 99 4.264 -0.186 -11.652 1.00 0.00 C ATOM 815 CE LYS A 99 5.306 -0.960 -12.471 1.00 0.00 C ATOM 816 NZ LYS A 99 5.636 -2.262 -11.858 1.00 0.00 N ATOM 0 H LYS A 99 2.147 2.558 -8.440 1.00 0.00 H new ATOM 0 HA LYS A 99 4.743 1.655 -8.106 1.00 0.00 H new ATOM 0 HB2 LYS A 99 2.984 0.683 -9.574 1.00 0.00 H new ATOM 0 HB3 LYS A 99 3.082 2.080 -10.627 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.424 1.582 -11.198 1.00 0.00 H new ATOM 0 HG3 LYS A 99 5.517 0.337 -9.968 1.00 0.00 H new ATOM 0 HD2 LYS A 99 3.655 -0.900 -11.098 1.00 0.00 H new ATOM 0 HD3 LYS A 99 3.598 0.336 -12.339 1.00 0.00 H new ATOM 0 HE2 LYS A 99 4.927 -1.120 -13.480 1.00 0.00 H new ATOM 0 HE3 LYS A 99 6.213 -0.362 -12.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 6.601 -2.539 -12.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 5.577 -2.183 -10.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 4.963 -2.982 -12.189 1.00 0.00 H new ATOM 817 N LYS A 100 4.649 4.400 -9.940 1.00 0.00 N ATOM 818 CA LYS A 100 5.523 5.433 -10.471 1.00 0.00 C ATOM 819 C LYS A 100 6.170 6.196 -9.308 1.00 0.00 C ATOM 820 O LYS A 100 7.381 6.395 -9.264 1.00 0.00 O ATOM 821 CB LYS A 100 4.705 6.338 -11.406 1.00 0.00 C ATOM 822 CG LYS A 100 5.481 6.743 -12.671 1.00 0.00 C ATOM 823 CD LYS A 100 6.667 7.682 -12.412 1.00 0.00 C ATOM 824 CE LYS A 100 6.199 9.099 -12.049 1.00 0.00 C ATOM 825 NZ LYS A 100 7.332 9.974 -11.687 1.00 0.00 N ATOM 0 H LYS A 100 3.660 4.527 -10.153 1.00 0.00 H new ATOM 0 HA LYS A 100 6.335 5.005 -11.059 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.790 5.821 -11.696 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.406 7.236 -10.865 1.00 0.00 H new ATOM 0 HG2 LYS A 100 5.847 5.842 -13.162 1.00 0.00 H new ATOM 0 HG3 LYS A 100 4.794 7.228 -13.365 1.00 0.00 H new ATOM 0 HD2 LYS A 100 7.278 7.282 -11.603 1.00 0.00 H new ATOM 0 HD3 LYS A 100 7.299 7.723 -13.299 1.00 0.00 H new ATOM 0 HE2 LYS A 100 5.661 9.531 -12.892 1.00 0.00 H new ATOM 0 HE3 LYS A 100 5.498 9.048 -11.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 6.976 10.922 -11.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 7.831 9.575 -10.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 7.988 10.043 -12.491 1.00 0.00 H new ATOM 826 N ALA A 101 5.333 6.608 -8.359 1.00 0.00 N ATOM 827 CA ALA A 101 5.706 7.328 -7.148 1.00 0.00 C ATOM 828 C ALA A 101 6.630 6.518 -6.231 1.00 0.00 C ATOM 829 O ALA A 101 7.284 7.089 -5.364 1.00 0.00 O ATOM 830 CB ALA A 101 4.429 7.730 -6.410 1.00 0.00 C ATOM 0 H ALA A 101 4.329 6.440 -8.418 1.00 0.00 H new ATOM 0 HA ALA A 101 6.274 8.211 -7.439 1.00 0.00 H new ATOM 0 HB1 ALA A 101 4.689 8.271 -5.500 1.00 0.00 H new ATOM 0 HB2 ALA A 101 3.824 8.370 -7.052 1.00 0.00 H new ATOM 0 HB3 ALA A 101 3.862 6.836 -6.151 1.00 0.00 H new ATOM 831 N SER A 102 6.676 5.195 -6.406 1.00 0.00 N ATOM 832 CA SER A 102 7.616 4.316 -5.730 1.00 0.00 C ATOM 833 C SER A 102 9.052 4.799 -5.957 1.00 0.00 C ATOM 834 O SER A 102 9.869 4.686 -5.045 1.00 0.00 O ATOM 835 CB SER A 102 7.428 2.878 -6.247 1.00 0.00 C ATOM 836 OG SER A 102 7.896 1.888 -5.346 1.00 0.00 O ATOM 0 H SER A 102 6.045 4.701 -7.036 1.00 0.00 H new ATOM 0 HA SER A 102 7.425 4.332 -4.657 1.00 0.00 H new ATOM 0 HB2 SER A 102 6.370 2.707 -6.445 1.00 0.00 H new ATOM 0 HB3 SER A 102 7.952 2.770 -7.197 1.00 0.00 H new ATOM 0 HG SER A 102 8.477 1.260 -5.823 1.00 0.00 H new ATOM 837 N GLU A 103 9.341 5.272 -7.175 1.00 0.00 N ATOM 838 CA GLU A 103 10.679 5.609 -7.636 1.00 0.00 C ATOM 839 C GLU A 103 11.202 6.851 -6.898 1.00 0.00 C ATOM 840 O GLU A 103 12.227 6.722 -6.189 1.00 0.00 O ATOM 841 CB GLU A 103 10.617 5.830 -9.160 1.00 0.00 C ATOM 842 CG GLU A 103 11.969 5.658 -9.868 1.00 0.00 C ATOM 843 CD GLU A 103 12.405 4.202 -10.036 1.00 0.00 C ATOM 844 OE1 GLU A 103 11.574 3.303 -9.773 1.00 0.00 O ATOM 845 OE2 GLU A 103 13.562 4.015 -10.465 1.00 0.00 O ATOM 846 OXT GLU A 103 10.571 7.920 -7.072 1.00 0.00 O ATOM 0 H GLU A 103 8.624 5.433 -7.883 1.00 0.00 H new ATOM 0 HA GLU A 103 11.376 4.799 -7.420 1.00 0.00 H new ATOM 0 HB2 GLU A 103 9.901 5.130 -9.590 1.00 0.00 H new ATOM 0 HB3 GLU A 103 10.240 6.833 -9.357 1.00 0.00 H new ATOM 0 HG2 GLU A 103 11.914 6.125 -10.851 1.00 0.00 H new ATOM 0 HG3 GLU A 103 12.733 6.192 -9.303 1.00 0.00 H new