USER MOD reduce.3.24.130724 H: found=0, std=0, add=1017, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1018 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 93 ASN : amide:sc= -0.538 K(o=0.44,f=-4.5) USER MOD Set 1.2: A 95 THR OG1 : rot 99:sc= 0.983 USER MOD Set 2.1: A 59 MET CE :methyl 142:sc= -3.55! (180deg=-8.82!) USER MOD Set 2.2: A 88 MET CE :methyl -159:sc= -0.146 (180deg=0) USER MOD Set 3.1: A 51 THR OG1 : rot 34:sc= 0.206 USER MOD Set 3.2: A 97 MET CE :methyl -108:sc=-0.00971 (180deg=0) USER MOD Set 4.1: A 28 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 39 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 13 SER OG : rot 79:sc= 0.864 USER MOD Set 5.2: A 32 THR OG1 : rot -150:sc= 0.985 USER MOD Single : A 2 SER OG : rot 11:sc= 1.16 USER MOD Single : A 3 HIS : no HD1:sc= -0.541 K(o=-0.54,f=-1.8) USER MOD Single : A 4 SER OG : rot 39:sc= 0.405 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.0225 K(o=-0.023,f=-3.3!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 39:sc= -1.38! USER MOD Single : A 36 LYS NZ :NH3+ 137:sc= -0.0341 (180deg=-0.115) USER MOD Single : A 38 HIS :FLIP no HD1:sc= -3.55! C(o=-4.7!,f=-3.6!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.01 K(o=-1,f=-3!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 85:sc= -0.97 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 167:sc= -7.44! (180deg=-9.11!) USER MOD Single : A 65 LYS NZ :NH3+ -123:sc= 0.543 (180deg=-0.0434) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 78 ASN : amide:sc= -3.57 K(o=-3.6,f=-9.2!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= -0.715 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 99 ASN :FLIP amide:sc= -1.91 F(o=-3.6,f=-1.9) USER MOD Single : A 101 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00132) USER MOD Single : A 102 MET CE :methyl 167:sc= -0.0434 (180deg=-0.347) USER MOD Single : A 103 THR OG1 : rot 142:sc= 1.19 USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 GLN : amide:sc= -0.0892 X(o=-0.089,f=-0.11) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 80:sc= 0.938 USER MOD Single : A 112 LYS NZ :NH3+ -122:sc= -0.588 (180deg=-3.25!) USER MOD Single : B 46 SER OG : rot 180:sc= -1.21 USER MOD Single : B 52 GLN : amide:sc= -0.305 X(o=-0.3,f=-0.0078) USER MOD Single : B 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -13.385 -5.342 10.296 1.00 0.00 N ATOM 2 CA PRO A 1 -13.197 -3.878 10.368 1.00 0.00 C ATOM 3 C PRO A 1 -12.088 -3.497 11.348 1.00 0.00 C ATOM 4 O PRO A 1 -12.288 -2.666 12.234 1.00 0.00 O ATOM 5 CB PRO A 1 -14.532 -3.292 10.810 1.00 0.00 C ATOM 6 CG PRO A 1 -15.519 -4.401 10.608 1.00 0.00 C ATOM 7 CD PRO A 1 -14.751 -5.705 10.698 1.00 0.00 C ATOM 0 H2 PRO A 1 -12.710 -5.808 10.903 1.00 0.00 H new ATOM 0 H3 PRO A 1 -13.206 -5.668 9.346 1.00 0.00 H new ATOM 0 HA PRO A 1 -12.892 -3.486 9.398 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -14.500 -2.975 11.852 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -14.795 -2.415 10.218 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -16.302 -4.362 11.365 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -16.009 -4.309 9.639 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -14.774 -6.113 11.708 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -15.173 -6.463 10.038 1.00 0.00 H new ATOM 17 N SER A 2 -10.921 -4.109 11.179 1.00 0.00 N ATOM 18 CA SER A 2 -9.781 -3.834 12.047 1.00 0.00 C ATOM 19 C SER A 2 -8.507 -4.456 11.487 1.00 0.00 C ATOM 20 O SER A 2 -7.543 -3.755 11.185 1.00 0.00 O ATOM 21 CB SER A 2 -10.046 -4.368 13.456 1.00 0.00 C ATOM 22 OG SER A 2 -10.899 -3.498 14.179 1.00 0.00 O ATOM 0 H SER A 2 -10.739 -4.798 10.450 1.00 0.00 H new ATOM 0 HA SER A 2 -9.645 -2.754 12.094 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.499 -5.358 13.394 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.102 -4.482 13.989 1.00 0.00 H new ATOM 0 HG SER A 2 -11.273 -2.827 13.571 1.00 0.00 H new ATOM 28 N HIS A 3 -8.509 -5.778 11.353 1.00 0.00 N ATOM 29 CA HIS A 3 -7.352 -6.496 10.831 1.00 0.00 C ATOM 30 C HIS A 3 -7.747 -7.386 9.661 1.00 0.00 C ATOM 31 O HIS A 3 -7.169 -8.451 9.448 1.00 0.00 O ATOM 32 CB HIS A 3 -6.706 -7.318 11.943 1.00 0.00 C ATOM 33 CG HIS A 3 -6.272 -6.481 13.104 1.00 0.00 C ATOM 34 ND1 HIS A 3 -7.149 -6.016 14.062 1.00 0.00 N ATOM 35 CD2 HIS A 3 -5.053 -6.002 13.448 1.00 0.00 C ATOM 36 CE1 HIS A 3 -6.488 -5.285 14.942 1.00 0.00 C ATOM 37 NE2 HIS A 3 -5.216 -5.263 14.593 1.00 0.00 N ATOM 0 H HIS A 3 -9.299 -6.374 11.599 1.00 0.00 H new ATOM 0 HA HIS A 3 -6.627 -5.769 10.465 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -7.413 -8.072 12.289 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -5.843 -7.850 11.541 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -4.126 -6.170 12.920 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -6.916 -4.790 15.801 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -4.473 -4.775 15.094 1.00 0.00 H new ATOM 46 N SER A 4 -8.726 -6.921 8.896 1.00 0.00 N ATOM 47 CA SER A 4 -9.206 -7.645 7.725 1.00 0.00 C ATOM 48 C SER A 4 -10.343 -6.893 7.051 1.00 0.00 C ATOM 49 O SER A 4 -11.415 -6.716 7.628 1.00 0.00 O ATOM 50 CB SER A 4 -9.671 -9.056 8.088 1.00 0.00 C ATOM 51 OG SER A 4 -10.675 -9.022 9.087 1.00 0.00 O ATOM 0 H SER A 4 -9.207 -6.038 9.067 1.00 0.00 H new ATOM 0 HA SER A 4 -8.368 -7.724 7.032 1.00 0.00 H new ATOM 0 HB2 SER A 4 -10.056 -9.555 7.199 1.00 0.00 H new ATOM 0 HB3 SER A 4 -8.822 -9.642 8.441 1.00 0.00 H new ATOM 0 HG SER A 4 -11.275 -8.265 8.922 1.00 0.00 H new ATOM 57 N GLY A 5 -10.098 -6.459 5.825 1.00 0.00 N ATOM 58 CA GLY A 5 -11.106 -5.735 5.081 1.00 0.00 C ATOM 59 C GLY A 5 -11.026 -6.019 3.598 1.00 0.00 C ATOM 60 O GLY A 5 -10.047 -5.655 2.946 1.00 0.00 O ATOM 0 H GLY A 5 -9.216 -6.596 5.331 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -12.095 -6.008 5.450 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -10.985 -4.665 5.253 1.00 0.00 H new ATOM 64 N ALA A 6 -12.058 -6.678 3.067 1.00 0.00 N ATOM 65 CA ALA A 6 -12.112 -7.023 1.645 1.00 0.00 C ATOM 66 C ALA A 6 -11.423 -5.963 0.792 1.00 0.00 C ATOM 67 O ALA A 6 -11.803 -4.792 0.814 1.00 0.00 O ATOM 68 CB ALA A 6 -13.556 -7.207 1.205 1.00 0.00 C ATOM 0 H ALA A 6 -12.870 -6.984 3.603 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.577 -7.962 1.503 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.584 -7.463 0.146 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.014 -8.009 1.784 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -14.107 -6.281 1.369 1.00 0.00 H new ATOM 74 N ALA A 7 -10.393 -6.373 0.059 1.00 0.00 N ATOM 75 CA ALA A 7 -9.642 -5.435 -0.776 1.00 0.00 C ATOM 76 C ALA A 7 -9.341 -6.007 -2.158 1.00 0.00 C ATOM 77 O ALA A 7 -9.209 -7.217 -2.325 1.00 0.00 O ATOM 78 CB ALA A 7 -8.344 -5.044 -0.078 1.00 0.00 C ATOM 0 H ALA A 7 -10.060 -7.336 0.024 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.265 -4.552 -0.919 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -7.790 -4.346 -0.705 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.573 -4.571 0.877 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.740 -5.935 0.094 1.00 0.00 H new ATOM 84 N ILE A 8 -9.220 -5.125 -3.148 1.00 0.00 N ATOM 85 CA ILE A 8 -8.918 -5.545 -4.511 1.00 0.00 C ATOM 86 C ILE A 8 -7.437 -5.383 -4.802 1.00 0.00 C ATOM 87 O ILE A 8 -6.873 -4.300 -4.643 1.00 0.00 O ATOM 88 CB ILE A 8 -9.741 -4.759 -5.558 1.00 0.00 C ATOM 89 CG1 ILE A 8 -11.136 -5.367 -5.675 1.00 0.00 C ATOM 90 CG2 ILE A 8 -9.063 -4.736 -6.922 1.00 0.00 C ATOM 91 CD1 ILE A 8 -12.223 -4.449 -5.198 1.00 0.00 C ATOM 0 H ILE A 8 -9.327 -4.117 -3.030 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.193 -6.597 -4.588 1.00 0.00 H new ATOM 0 HB ILE A 8 -9.814 -3.727 -5.216 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -11.324 -5.632 -6.716 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -11.172 -6.292 -5.099 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -9.678 -4.173 -7.624 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -8.085 -4.262 -6.834 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.940 -5.757 -7.285 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -13.189 -4.941 -5.308 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -12.058 -4.204 -4.149 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -12.212 -3.534 -5.790 1.00 0.00 H new ATOM 103 N PHE A 9 -6.818 -6.464 -5.235 1.00 0.00 N ATOM 104 CA PHE A 9 -5.394 -6.442 -5.560 1.00 0.00 C ATOM 105 C PHE A 9 -5.166 -6.740 -7.036 1.00 0.00 C ATOM 106 O PHE A 9 -5.695 -7.713 -7.570 1.00 0.00 O ATOM 107 CB PHE A 9 -4.629 -7.446 -4.699 1.00 0.00 C ATOM 108 CG PHE A 9 -3.150 -7.184 -4.657 1.00 0.00 C ATOM 109 CD1 PHE A 9 -2.668 -5.916 -4.371 1.00 0.00 C ATOM 110 CD2 PHE A 9 -2.244 -8.202 -4.909 1.00 0.00 C ATOM 111 CE1 PHE A 9 -1.308 -5.669 -4.335 1.00 0.00 C ATOM 112 CE2 PHE A 9 -0.883 -7.959 -4.876 1.00 0.00 C ATOM 113 CZ PHE A 9 -0.415 -6.693 -4.587 1.00 0.00 C ATOM 0 H PHE A 9 -7.271 -7.368 -5.371 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.020 -5.440 -5.349 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.025 -7.420 -3.684 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.803 -8.451 -5.083 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.362 -5.112 -4.174 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.604 -9.195 -5.133 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.944 -4.677 -4.110 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.186 -8.760 -5.076 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.648 -6.503 -4.558 1.00 0.00 H new ATOM 123 N GLU A 10 -4.377 -5.896 -7.692 1.00 0.00 N ATOM 124 CA GLU A 10 -4.084 -6.072 -9.109 1.00 0.00 C ATOM 125 C GLU A 10 -5.363 -6.064 -9.930 1.00 0.00 C ATOM 126 O GLU A 10 -5.472 -6.775 -10.929 1.00 0.00 O ATOM 127 CB GLU A 10 -3.329 -7.383 -9.333 1.00 0.00 C ATOM 128 CG GLU A 10 -2.067 -7.506 -8.493 1.00 0.00 C ATOM 129 CD GLU A 10 -1.287 -8.772 -8.792 1.00 0.00 C ATOM 130 OE1 GLU A 10 -1.835 -9.662 -9.476 1.00 0.00 O ATOM 131 OE2 GLU A 10 -0.127 -8.873 -8.341 1.00 0.00 O ATOM 0 H GLU A 10 -3.930 -5.085 -7.266 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.459 -5.240 -9.434 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.991 -8.218 -9.105 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.064 -7.465 -10.387 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.430 -6.640 -8.673 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.335 -7.490 -7.437 1.00 0.00 H new ATOM 138 N LYS A 11 -6.341 -5.271 -9.491 1.00 0.00 N ATOM 139 CA LYS A 11 -7.625 -5.193 -10.177 1.00 0.00 C ATOM 140 C LYS A 11 -8.456 -6.436 -9.879 1.00 0.00 C ATOM 141 O LYS A 11 -9.575 -6.581 -10.370 1.00 0.00 O ATOM 142 CB LYS A 11 -7.435 -5.035 -11.690 1.00 0.00 C ATOM 143 CG LYS A 11 -6.391 -3.996 -12.068 1.00 0.00 C ATOM 144 CD LYS A 11 -6.339 -3.779 -13.571 1.00 0.00 C ATOM 145 CE LYS A 11 -5.207 -2.844 -13.961 1.00 0.00 C ATOM 146 NZ LYS A 11 -5.381 -2.304 -15.337 1.00 0.00 N ATOM 0 H LYS A 11 -6.266 -4.676 -8.666 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.153 -4.313 -9.808 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.148 -5.997 -12.114 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.389 -4.760 -12.141 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.618 -3.053 -11.571 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.412 -4.316 -11.712 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.210 -4.738 -14.074 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.288 -3.365 -13.913 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.157 -2.019 -13.251 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.258 -3.377 -13.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.588 -1.671 -15.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.403 -3.090 -16.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.274 -1.774 -15.391 1.00 0.00 H new ATOM 160 N VAL A 12 -7.905 -7.323 -9.053 1.00 0.00 N ATOM 161 CA VAL A 12 -8.591 -8.538 -8.668 1.00 0.00 C ATOM 162 C VAL A 12 -9.173 -8.375 -7.289 1.00 0.00 C ATOM 163 O VAL A 12 -8.628 -7.660 -6.452 1.00 0.00 O ATOM 164 CB VAL A 12 -7.660 -9.763 -8.691 1.00 0.00 C ATOM 165 CG1 VAL A 12 -8.273 -10.947 -7.945 1.00 0.00 C ATOM 166 CG2 VAL A 12 -7.371 -10.130 -10.126 1.00 0.00 C ATOM 0 H VAL A 12 -6.979 -7.215 -8.639 1.00 0.00 H new ATOM 0 HA VAL A 12 -9.384 -8.712 -9.395 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.731 -9.510 -8.180 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.588 -11.794 -7.982 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.452 -10.670 -6.906 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.217 -11.223 -8.414 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.712 -10.997 -10.154 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.305 -10.367 -10.636 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.888 -9.291 -10.626 1.00 0.00 H new ATOM 176 N SER A 13 -10.282 -9.029 -7.058 1.00 0.00 N ATOM 177 CA SER A 13 -10.931 -8.929 -5.767 1.00 0.00 C ATOM 178 C SER A 13 -10.378 -9.945 -4.786 1.00 0.00 C ATOM 179 O SER A 13 -9.993 -11.053 -5.158 1.00 0.00 O ATOM 180 CB SER A 13 -12.433 -9.090 -5.901 1.00 0.00 C ATOM 181 OG SER A 13 -12.771 -10.343 -6.470 1.00 0.00 O ATOM 0 H SER A 13 -10.753 -9.630 -7.734 1.00 0.00 H new ATOM 0 HA SER A 13 -10.722 -7.934 -5.375 1.00 0.00 H new ATOM 0 HB2 SER A 13 -12.899 -8.997 -4.920 1.00 0.00 H new ATOM 0 HB3 SER A 13 -12.832 -8.288 -6.521 1.00 0.00 H new ATOM 0 HG SER A 13 -12.714 -11.040 -5.784 1.00 0.00 H new ATOM 187 N GLY A 14 -10.337 -9.543 -3.527 1.00 0.00 N ATOM 188 CA GLY A 14 -9.826 -10.400 -2.487 1.00 0.00 C ATOM 189 C GLY A 14 -9.975 -9.774 -1.123 1.00 0.00 C ATOM 190 O GLY A 14 -10.498 -8.669 -0.991 1.00 0.00 O ATOM 0 H GLY A 14 -10.653 -8.628 -3.207 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.354 -11.353 -2.509 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -8.774 -10.614 -2.676 1.00 0.00 H new ATOM 194 N ILE A 15 -9.518 -10.477 -0.106 1.00 0.00 N ATOM 195 CA ILE A 15 -9.598 -9.985 1.253 1.00 0.00 C ATOM 196 C ILE A 15 -8.232 -9.551 1.728 1.00 0.00 C ATOM 197 O ILE A 15 -7.242 -10.252 1.526 1.00 0.00 O ATOM 198 CB ILE A 15 -10.141 -11.054 2.214 1.00 0.00 C ATOM 199 CG1 ILE A 15 -11.366 -11.727 1.590 1.00 0.00 C ATOM 200 CG2 ILE A 15 -10.462 -10.446 3.579 1.00 0.00 C ATOM 201 CD1 ILE A 15 -12.623 -10.889 1.625 1.00 0.00 C ATOM 0 H ILE A 15 -9.085 -11.396 -0.197 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.284 -9.138 1.252 1.00 0.00 H new ATOM 0 HB ILE A 15 -9.377 -11.814 2.377 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -11.139 -11.978 0.554 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -11.555 -12.666 2.111 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -10.845 -11.222 4.242 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.557 -10.016 4.008 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -11.214 -9.665 3.462 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -13.441 -11.441 1.163 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -12.879 -10.660 2.659 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -12.457 -9.961 1.078 1.00 0.00 H new ATOM 213 N ILE A 16 -8.183 -8.408 2.380 1.00 0.00 N ATOM 214 CA ILE A 16 -6.935 -7.907 2.902 1.00 0.00 C ATOM 215 C ILE A 16 -6.956 -8.082 4.407 1.00 0.00 C ATOM 216 O ILE A 16 -7.817 -7.538 5.093 1.00 0.00 O ATOM 217 CB ILE A 16 -6.722 -6.417 2.517 1.00 0.00 C ATOM 218 CG1 ILE A 16 -5.581 -6.282 1.508 1.00 0.00 C ATOM 219 CG2 ILE A 16 -6.454 -5.546 3.734 1.00 0.00 C ATOM 220 CD1 ILE A 16 -5.316 -4.853 1.082 1.00 0.00 C ATOM 0 H ILE A 16 -8.991 -7.812 2.559 1.00 0.00 H new ATOM 0 HA ILE A 16 -6.103 -8.464 2.472 1.00 0.00 H new ATOM 0 HB ILE A 16 -7.647 -6.066 2.060 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.672 -6.698 1.942 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.814 -6.878 0.626 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -6.311 -4.513 3.418 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -7.302 -5.603 4.416 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -5.556 -5.897 4.242 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.494 -4.833 0.366 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -6.212 -4.440 0.618 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -5.051 -4.256 1.955 1.00 0.00 H new ATOM 232 N ALA A 17 -6.031 -8.879 4.911 1.00 0.00 N ATOM 233 CA ALA A 17 -5.976 -9.158 6.334 1.00 0.00 C ATOM 234 C ALA A 17 -4.620 -8.802 6.922 1.00 0.00 C ATOM 235 O ALA A 17 -3.574 -9.153 6.377 1.00 0.00 O ATOM 236 CB ALA A 17 -6.322 -10.618 6.584 1.00 0.00 C ATOM 0 H ALA A 17 -5.310 -9.343 4.358 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.712 -8.532 6.838 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.280 -10.824 7.654 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.327 -10.822 6.215 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.608 -11.256 6.063 1.00 0.00 H new ATOM 242 N ILE A 18 -4.657 -8.087 8.040 1.00 0.00 N ATOM 243 CA ILE A 18 -3.450 -7.655 8.720 1.00 0.00 C ATOM 244 C ILE A 18 -3.167 -8.526 9.942 1.00 0.00 C ATOM 245 O ILE A 18 -4.060 -8.801 10.742 1.00 0.00 O ATOM 246 CB ILE A 18 -3.577 -6.171 9.136 1.00 0.00 C ATOM 247 CG1 ILE A 18 -3.401 -5.273 7.909 1.00 0.00 C ATOM 248 CG2 ILE A 18 -2.574 -5.803 10.220 1.00 0.00 C ATOM 249 CD1 ILE A 18 -3.867 -3.851 8.127 1.00 0.00 C ATOM 0 H ILE A 18 -5.521 -7.794 8.496 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.613 -7.760 8.030 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.573 -6.018 9.553 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.349 -5.262 7.625 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.952 -5.703 7.073 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.694 -4.753 10.486 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.746 -6.422 11.100 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.562 -5.970 9.851 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.712 -3.273 7.216 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.927 -3.850 8.381 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -3.299 -3.403 8.942 1.00 0.00 H new ATOM 261 N ASN A 19 -1.919 -8.962 10.072 1.00 0.00 N ATOM 262 CA ASN A 19 -1.517 -9.806 11.192 1.00 0.00 C ATOM 263 C ASN A 19 -0.347 -9.188 11.950 1.00 0.00 C ATOM 264 O ASN A 19 0.756 -9.063 11.417 1.00 0.00 O ATOM 265 CB ASN A 19 -1.134 -11.201 10.693 1.00 0.00 C ATOM 266 CG ASN A 19 -1.018 -12.207 11.821 1.00 0.00 C ATOM 267 OD1 ASN A 19 -1.490 -11.967 12.933 1.00 0.00 O ATOM 268 ND2 ASN A 19 -0.388 -13.341 11.540 1.00 0.00 N ATOM 0 H ASN A 19 -1.168 -8.745 9.416 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.364 -9.888 11.873 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -1.881 -11.546 9.978 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.185 -11.145 10.160 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.279 -14.056 12.259 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -0.013 -13.498 10.605 1.00 0.00 H new ATOM 275 N GLU A 20 -0.598 -8.803 13.198 1.00 0.00 N ATOM 276 CA GLU A 20 0.437 -8.202 14.031 1.00 0.00 C ATOM 277 C GLU A 20 1.226 -9.268 14.789 1.00 0.00 C ATOM 278 O GLU A 20 2.084 -8.948 15.611 1.00 0.00 O ATOM 279 CB GLU A 20 -0.185 -7.214 15.019 1.00 0.00 C ATOM 280 CG GLU A 20 -0.920 -6.063 14.349 1.00 0.00 C ATOM 281 CD GLU A 20 -1.465 -5.057 15.345 1.00 0.00 C ATOM 282 OE1 GLU A 20 -1.479 -5.367 16.555 1.00 0.00 O ATOM 283 OE2 GLU A 20 -1.879 -3.962 14.914 1.00 0.00 O ATOM 0 H GLU A 20 -1.506 -8.896 13.653 1.00 0.00 H new ATOM 0 HA GLU A 20 1.126 -7.669 13.375 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.879 -7.749 15.667 1.00 0.00 H new ATOM 0 HB3 GLU A 20 0.600 -6.810 15.658 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -0.243 -5.557 13.661 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.742 -6.460 13.753 1.00 0.00 H new ATOM 290 N ASP A 21 0.943 -10.534 14.497 1.00 0.00 N ATOM 291 CA ASP A 21 1.639 -11.639 15.141 1.00 0.00 C ATOM 292 C ASP A 21 3.015 -11.836 14.515 1.00 0.00 C ATOM 293 O ASP A 21 3.890 -12.472 15.100 1.00 0.00 O ATOM 294 CB ASP A 21 0.821 -12.924 15.014 1.00 0.00 C ATOM 295 CG ASP A 21 -0.495 -12.850 15.763 1.00 0.00 C ATOM 296 OD1 ASP A 21 -0.636 -11.962 16.632 1.00 0.00 O ATOM 297 OD2 ASP A 21 -1.386 -13.678 15.482 1.00 0.00 O ATOM 0 H ASP A 21 0.236 -10.818 13.819 1.00 0.00 H new ATOM 0 HA ASP A 21 1.764 -11.401 16.197 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.625 -13.124 13.961 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.405 -13.762 15.394 1.00 0.00 H new ATOM 302 N VAL A 22 3.194 -11.284 13.319 1.00 0.00 N ATOM 303 CA VAL A 22 4.457 -11.391 12.609 1.00 0.00 C ATOM 304 C VAL A 22 5.300 -10.137 12.807 1.00 0.00 C ATOM 305 O VAL A 22 4.769 -9.032 12.903 1.00 0.00 O ATOM 306 CB VAL A 22 4.245 -11.623 11.096 1.00 0.00 C ATOM 307 CG1 VAL A 22 4.328 -13.103 10.764 1.00 0.00 C ATOM 308 CG2 VAL A 22 2.920 -11.037 10.624 1.00 0.00 C ATOM 0 H VAL A 22 2.476 -10.757 12.823 1.00 0.00 H new ATOM 0 HA VAL A 22 4.980 -12.252 13.025 1.00 0.00 H new ATOM 0 HB VAL A 22 5.044 -11.105 10.565 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.176 -13.245 9.694 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.310 -13.484 11.045 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.558 -13.643 11.315 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.802 -11.218 9.556 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.100 -11.510 11.164 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.909 -9.964 10.814 1.00 0.00 H new ATOM 318 N SER A 23 6.615 -10.314 12.869 1.00 0.00 N ATOM 319 CA SER A 23 7.524 -9.191 13.056 1.00 0.00 C ATOM 320 C SER A 23 8.529 -9.101 11.904 1.00 0.00 C ATOM 321 O SER A 23 9.343 -10.003 11.710 1.00 0.00 O ATOM 322 CB SER A 23 8.260 -9.322 14.393 1.00 0.00 C ATOM 323 OG SER A 23 9.560 -8.760 14.326 1.00 0.00 O ATOM 0 H SER A 23 7.074 -11.222 12.793 1.00 0.00 H new ATOM 0 HA SER A 23 6.935 -8.274 13.065 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.687 -8.825 15.176 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.331 -10.374 14.669 1.00 0.00 H new ATOM 0 HG SER A 23 10.004 -8.858 15.194 1.00 0.00 H new ATOM 329 N PRO A 24 8.486 -8.004 11.119 1.00 0.00 N ATOM 330 CA PRO A 24 7.531 -6.911 11.319 1.00 0.00 C ATOM 331 C PRO A 24 6.134 -7.274 10.832 1.00 0.00 C ATOM 332 O PRO A 24 5.979 -8.053 9.893 1.00 0.00 O ATOM 333 CB PRO A 24 8.111 -5.780 10.476 1.00 0.00 C ATOM 334 CG PRO A 24 8.857 -6.465 9.386 1.00 0.00 C ATOM 335 CD PRO A 24 9.374 -7.754 9.967 1.00 0.00 C ATOM 0 HA PRO A 24 7.411 -6.658 12.372 1.00 0.00 H new ATOM 0 HB2 PRO A 24 7.324 -5.141 10.076 1.00 0.00 H new ATOM 0 HB3 PRO A 24 8.769 -5.143 11.067 1.00 0.00 H new ATOM 0 HG2 PRO A 24 8.207 -6.657 8.532 1.00 0.00 H new ATOM 0 HG3 PRO A 24 9.678 -5.844 9.028 1.00 0.00 H new ATOM 0 HD2 PRO A 24 9.327 -8.567 9.242 1.00 0.00 H new ATOM 0 HD3 PRO A 24 10.415 -7.664 10.277 1.00 0.00 H new ATOM 343 N ALA A 25 5.118 -6.700 11.474 1.00 0.00 N ATOM 344 CA ALA A 25 3.731 -6.963 11.099 1.00 0.00 C ATOM 345 C ALA A 25 3.554 -6.881 9.586 1.00 0.00 C ATOM 346 O ALA A 25 4.106 -5.994 8.937 1.00 0.00 O ATOM 347 CB ALA A 25 2.799 -5.983 11.797 1.00 0.00 C ATOM 0 H ALA A 25 5.229 -6.052 12.254 1.00 0.00 H new ATOM 0 HA ALA A 25 3.476 -7.974 11.417 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.769 -6.191 11.508 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.901 -6.090 12.877 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.058 -4.965 11.507 1.00 0.00 H new ATOM 353 N GLU A 26 2.798 -7.819 9.028 1.00 0.00 N ATOM 354 CA GLU A 26 2.576 -7.849 7.587 1.00 0.00 C ATOM 355 C GLU A 26 1.092 -7.928 7.244 1.00 0.00 C ATOM 356 O GLU A 26 0.260 -8.257 8.089 1.00 0.00 O ATOM 357 CB GLU A 26 3.312 -9.041 6.970 1.00 0.00 C ATOM 358 CG GLU A 26 4.777 -9.121 7.363 1.00 0.00 C ATOM 359 CD GLU A 26 5.519 -10.218 6.625 1.00 0.00 C ATOM 360 OE1 GLU A 26 5.354 -11.400 6.997 1.00 0.00 O ATOM 361 OE2 GLU A 26 6.266 -9.896 5.676 1.00 0.00 O ATOM 0 H GLU A 26 2.332 -8.563 9.546 1.00 0.00 H new ATOM 0 HA GLU A 26 2.966 -6.919 7.173 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.813 -9.962 7.272 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.239 -8.980 5.884 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.257 -8.163 7.161 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.853 -9.295 8.436 1.00 0.00 H new ATOM 368 N LEU A 27 0.780 -7.633 5.988 1.00 0.00 N ATOM 369 CA LEU A 27 -0.590 -7.676 5.495 1.00 0.00 C ATOM 370 C LEU A 27 -0.688 -8.660 4.336 1.00 0.00 C ATOM 371 O LEU A 27 0.108 -8.605 3.399 1.00 0.00 O ATOM 372 CB LEU A 27 -1.039 -6.283 5.048 1.00 0.00 C ATOM 373 CG LEU A 27 -2.366 -6.235 4.286 1.00 0.00 C ATOM 374 CD1 LEU A 27 -3.023 -4.872 4.443 1.00 0.00 C ATOM 375 CD2 LEU A 27 -2.145 -6.556 2.814 1.00 0.00 C ATOM 0 H LEU A 27 1.467 -7.358 5.286 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.246 -8.007 6.300 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.122 -5.646 5.929 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.261 -5.854 4.417 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.033 -6.987 4.707 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.965 -4.857 3.895 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.215 -4.680 5.499 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.361 -4.101 4.048 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.098 -6.518 2.286 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.461 -5.826 2.381 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.718 -7.554 2.719 1.00 0.00 H new ATOM 387 N THR A 28 -1.649 -9.571 4.410 1.00 0.00 N ATOM 388 CA THR A 28 -1.819 -10.574 3.365 1.00 0.00 C ATOM 389 C THR A 28 -3.160 -10.432 2.653 1.00 0.00 C ATOM 390 O THR A 28 -4.214 -10.378 3.286 1.00 0.00 O ATOM 391 CB THR A 28 -1.699 -11.977 3.960 1.00 0.00 C ATOM 392 OG1 THR A 28 -0.476 -12.120 4.665 1.00 0.00 O ATOM 393 CG2 THR A 28 -1.761 -13.075 2.920 1.00 0.00 C ATOM 0 H THR A 28 -2.319 -9.637 5.176 1.00 0.00 H new ATOM 0 HA THR A 28 -1.031 -10.416 2.629 1.00 0.00 H new ATOM 0 HB THR A 28 -2.554 -12.083 4.627 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.418 -13.024 5.040 1.00 0.00 H new ATOM 0 HG21 THR A 28 -1.670 -14.045 3.409 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.713 -13.023 2.392 1.00 0.00 H new ATOM 0 HG23 THR A 28 -0.945 -12.949 2.209 1.00 0.00 H new ATOM 401 N TRP A 29 -3.104 -10.388 1.326 1.00 0.00 N ATOM 402 CA TRP A 29 -4.292 -10.275 0.508 1.00 0.00 C ATOM 403 C TRP A 29 -4.675 -11.638 -0.051 1.00 0.00 C ATOM 404 O TRP A 29 -3.863 -12.308 -0.690 1.00 0.00 O ATOM 405 CB TRP A 29 -4.047 -9.305 -0.647 1.00 0.00 C ATOM 406 CG TRP A 29 -5.197 -9.238 -1.596 1.00 0.00 C ATOM 407 CD1 TRP A 29 -6.402 -8.664 -1.356 1.00 0.00 C ATOM 408 CD2 TRP A 29 -5.261 -9.781 -2.920 1.00 0.00 C ATOM 409 NE1 TRP A 29 -7.221 -8.801 -2.453 1.00 0.00 N ATOM 410 CE2 TRP A 29 -6.540 -9.484 -3.428 1.00 0.00 C ATOM 411 CE3 TRP A 29 -4.359 -10.481 -3.727 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -6.940 -9.867 -4.705 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -4.758 -10.861 -4.995 1.00 0.00 C ATOM 414 CH2 TRP A 29 -6.039 -10.554 -5.473 1.00 0.00 C ATOM 0 H TRP A 29 -2.234 -10.430 0.795 1.00 0.00 H new ATOM 0 HA TRP A 29 -5.105 -9.898 1.129 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -3.854 -8.310 -0.246 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -3.152 -9.610 -1.189 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -6.679 -8.170 -0.436 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -8.177 -8.452 -2.529 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -3.369 -10.720 -3.367 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -7.926 -9.631 -5.077 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -4.071 -11.403 -5.628 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.321 -10.866 -6.468 1.00 0.00 H new ATOM 425 N ARG A 30 -5.913 -12.042 0.185 1.00 0.00 N ATOM 426 CA ARG A 30 -6.397 -13.327 -0.305 1.00 0.00 C ATOM 427 C ARG A 30 -7.635 -13.139 -1.173 1.00 0.00 C ATOM 428 O ARG A 30 -8.668 -12.681 -0.696 1.00 0.00 O ATOM 429 CB ARG A 30 -6.711 -14.261 0.866 1.00 0.00 C ATOM 430 CG ARG A 30 -7.236 -15.622 0.437 1.00 0.00 C ATOM 431 CD ARG A 30 -6.278 -16.741 0.818 1.00 0.00 C ATOM 432 NE ARG A 30 -5.523 -17.232 -0.334 1.00 0.00 N ATOM 433 CZ ARG A 30 -4.493 -18.070 -0.244 1.00 0.00 C ATOM 434 NH1 ARG A 30 -4.090 -18.511 0.941 1.00 0.00 N ATOM 435 NH2 ARG A 30 -3.863 -18.467 -1.341 1.00 0.00 N ATOM 0 H ARG A 30 -6.601 -11.502 0.711 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.613 -13.778 -0.913 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.808 -14.400 1.461 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.448 -13.784 1.512 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.206 -15.800 0.900 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.392 -15.628 -0.642 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -5.585 -16.382 1.579 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -6.839 -17.564 1.261 1.00 0.00 H new ATOM 0 HE ARG A 30 -5.802 -16.913 -1.262 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -4.570 -18.208 1.788 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -3.300 -19.153 1.005 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -4.168 -18.130 -2.254 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -3.074 -19.109 -1.272 1.00 0.00 H new ATOM 449 N SER A 31 -7.526 -13.495 -2.451 1.00 0.00 N ATOM 450 CA SER A 31 -8.646 -13.355 -3.383 1.00 0.00 C ATOM 451 C SER A 31 -9.948 -13.845 -2.751 1.00 0.00 C ATOM 452 O SER A 31 -9.930 -14.628 -1.802 1.00 0.00 O ATOM 453 CB SER A 31 -8.366 -14.141 -4.665 1.00 0.00 C ATOM 454 OG SER A 31 -7.076 -13.851 -5.169 1.00 0.00 O ATOM 0 H SER A 31 -6.678 -13.881 -2.865 1.00 0.00 H new ATOM 0 HA SER A 31 -8.755 -12.298 -3.624 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.450 -15.209 -4.466 1.00 0.00 H new ATOM 0 HB3 SER A 31 -9.117 -13.897 -5.416 1.00 0.00 H new ATOM 0 HG SER A 31 -6.444 -13.771 -4.424 1.00 0.00 H new ATOM 460 N THR A 32 -11.074 -13.382 -3.282 1.00 0.00 N ATOM 461 CA THR A 32 -12.375 -13.774 -2.770 1.00 0.00 C ATOM 462 C THR A 32 -12.591 -15.249 -3.032 1.00 0.00 C ATOM 463 O THR A 32 -13.134 -15.977 -2.201 1.00 0.00 O ATOM 464 CB THR A 32 -13.477 -12.955 -3.442 1.00 0.00 C ATOM 465 OG1 THR A 32 -12.924 -11.936 -4.257 1.00 0.00 O ATOM 466 CG2 THR A 32 -14.412 -12.292 -2.455 1.00 0.00 C ATOM 0 H THR A 32 -11.108 -12.733 -4.069 1.00 0.00 H new ATOM 0 HA THR A 32 -12.411 -13.586 -1.697 1.00 0.00 H new ATOM 0 HB THR A 32 -14.044 -13.670 -4.037 1.00 0.00 H new ATOM 0 HG1 THR A 32 -13.538 -11.172 -4.288 1.00 0.00 H new ATOM 0 HG21 THR A 32 -15.171 -11.726 -2.996 1.00 0.00 H new ATOM 0 HG22 THR A 32 -14.895 -13.054 -1.843 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.845 -11.617 -1.814 1.00 0.00 H new ATOM 474 N ASP A 33 -12.152 -15.673 -4.204 1.00 0.00 N ATOM 475 CA ASP A 33 -12.277 -17.055 -4.612 1.00 0.00 C ATOM 476 C ASP A 33 -11.109 -17.892 -4.094 1.00 0.00 C ATOM 477 O ASP A 33 -11.206 -19.115 -3.995 1.00 0.00 O ATOM 478 CB ASP A 33 -12.364 -17.157 -6.138 1.00 0.00 C ATOM 479 CG ASP A 33 -11.159 -16.552 -6.832 1.00 0.00 C ATOM 480 OD1 ASP A 33 -10.168 -16.240 -6.140 1.00 0.00 O ATOM 481 OD2 ASP A 33 -11.207 -16.392 -8.070 1.00 0.00 O ATOM 0 H ASP A 33 -11.702 -15.071 -4.893 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.196 -17.449 -4.178 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -12.455 -18.205 -6.424 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -13.267 -16.653 -6.481 1.00 0.00 H new ATOM 486 N GLY A 34 -10.006 -17.226 -3.763 1.00 0.00 N ATOM 487 CA GLY A 34 -8.838 -17.924 -3.258 1.00 0.00 C ATOM 488 C GLY A 34 -7.916 -18.396 -4.365 1.00 0.00 C ATOM 489 O GLY A 34 -7.269 -19.436 -4.240 1.00 0.00 O ATOM 0 H GLY A 34 -9.901 -16.214 -3.836 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.287 -17.264 -2.588 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.159 -18.782 -2.667 1.00 0.00 H new ATOM 493 N ASP A 35 -7.854 -17.632 -5.452 1.00 0.00 N ATOM 494 CA ASP A 35 -7.006 -17.984 -6.584 1.00 0.00 C ATOM 495 C ASP A 35 -5.694 -17.204 -6.563 1.00 0.00 C ATOM 496 O ASP A 35 -4.696 -17.632 -7.143 1.00 0.00 O ATOM 497 CB ASP A 35 -7.743 -17.729 -7.900 1.00 0.00 C ATOM 498 CG ASP A 35 -6.964 -18.218 -9.106 1.00 0.00 C ATOM 499 OD1 ASP A 35 -6.000 -18.990 -8.917 1.00 0.00 O ATOM 500 OD2 ASP A 35 -7.318 -17.830 -10.239 1.00 0.00 O ATOM 0 H ASP A 35 -8.380 -16.767 -5.572 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.770 -19.045 -6.503 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -8.713 -18.226 -7.872 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.935 -16.661 -8.004 1.00 0.00 H new ATOM 505 N LYS A 36 -5.702 -16.054 -5.896 1.00 0.00 N ATOM 506 CA LYS A 36 -4.508 -15.217 -5.806 1.00 0.00 C ATOM 507 C LYS A 36 -4.226 -14.818 -4.362 1.00 0.00 C ATOM 508 O LYS A 36 -5.148 -14.551 -3.590 1.00 0.00 O ATOM 509 CB LYS A 36 -4.666 -13.959 -6.667 1.00 0.00 C ATOM 510 CG LYS A 36 -5.446 -14.189 -7.953 1.00 0.00 C ATOM 511 CD LYS A 36 -4.717 -13.615 -9.156 1.00 0.00 C ATOM 512 CE LYS A 36 -4.514 -12.114 -9.022 1.00 0.00 C ATOM 513 NZ LYS A 36 -4.142 -11.485 -10.319 1.00 0.00 N ATOM 0 H LYS A 36 -6.518 -15.681 -5.411 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.666 -15.801 -6.177 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.169 -13.190 -6.081 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -3.677 -13.574 -6.917 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.604 -15.258 -8.098 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.431 -13.730 -7.870 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.750 -14.106 -9.264 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.285 -13.827 -10.062 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.429 -11.656 -8.646 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.734 -11.918 -8.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.671 -10.598 -10.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.122 -11.284 -10.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.373 -12.134 -11.098 1.00 0.00 H new ATOM 527 N VAL A 37 -2.947 -14.773 -4.001 1.00 0.00 N ATOM 528 CA VAL A 37 -2.547 -14.400 -2.650 1.00 0.00 C ATOM 529 C VAL A 37 -1.321 -13.490 -2.668 1.00 0.00 C ATOM 530 O VAL A 37 -0.369 -13.728 -3.413 1.00 0.00 O ATOM 531 CB VAL A 37 -2.247 -15.643 -1.788 1.00 0.00 C ATOM 532 CG1 VAL A 37 -1.048 -16.404 -2.334 1.00 0.00 C ATOM 533 CG2 VAL A 37 -2.019 -15.243 -0.337 1.00 0.00 C ATOM 0 H VAL A 37 -2.171 -14.990 -4.626 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.385 -13.860 -2.210 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.112 -16.305 -1.829 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.856 -17.276 -1.710 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.256 -16.727 -3.354 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.172 -15.755 -2.330 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.809 -16.132 0.257 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.173 -14.558 -0.277 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.912 -14.751 0.050 1.00 0.00 H new ATOM 543 N HIS A 38 -1.350 -12.446 -1.845 1.00 0.00 N ATOM 544 CA HIS A 38 -0.243 -11.497 -1.768 1.00 0.00 C ATOM 545 C HIS A 38 0.084 -11.143 -0.324 1.00 0.00 C ATOM 546 O HIS A 38 -0.799 -11.084 0.529 1.00 0.00 O ATOM 547 CB HIS A 38 -0.561 -10.223 -2.545 1.00 0.00 C ATOM 548 CG HIS A 38 0.598 -9.278 -2.639 1.00 0.00 C ATOM 549 ND1 HIS A 38 0.773 -8.039 -2.119 1.00 0.00 N flip ATOM 550 CD2 HIS A 38 1.753 -9.566 -3.335 1.00 0.00 C flip ATOM 551 CE1 HIS A 38 2.017 -7.608 -2.507 1.00 0.00 C flip ATOM 552 NE2 HIS A 38 2.588 -8.548 -3.239 1.00 0.00 N flip ATOM 0 H HIS A 38 -2.129 -12.235 -1.221 1.00 0.00 H new ATOM 0 HA HIS A 38 0.626 -11.980 -2.215 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -0.884 -10.491 -3.551 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.398 -9.714 -2.066 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.945 -10.482 -3.875 1.00 0.00 H new ATOM 0 HE1 HIS A 38 2.458 -6.655 -2.255 1.00 0.00 H new ATOM 0 HE2 HIS A 38 3.516 -8.496 -3.659 1.00 0.00 H new ATOM 561 N THR A 39 1.360 -10.909 -0.063 1.00 0.00 N ATOM 562 CA THR A 39 1.820 -10.557 1.278 1.00 0.00 C ATOM 563 C THR A 39 2.654 -9.278 1.251 1.00 0.00 C ATOM 564 O THR A 39 3.498 -9.095 0.375 1.00 0.00 O ATOM 565 CB THR A 39 2.641 -11.702 1.873 1.00 0.00 C ATOM 566 OG1 THR A 39 1.905 -12.912 1.847 1.00 0.00 O ATOM 567 CG2 THR A 39 3.061 -11.453 3.307 1.00 0.00 C ATOM 0 H THR A 39 2.101 -10.956 -0.762 1.00 0.00 H new ATOM 0 HA THR A 39 0.943 -10.383 1.902 1.00 0.00 H new ATOM 0 HB THR A 39 3.536 -11.770 1.254 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.447 -13.633 2.230 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.640 -12.303 3.669 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.671 -10.551 3.356 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.175 -11.326 3.929 1.00 0.00 H new ATOM 575 N VAL A 40 2.413 -8.396 2.220 1.00 0.00 N ATOM 576 CA VAL A 40 3.145 -7.136 2.305 1.00 0.00 C ATOM 577 C VAL A 40 3.653 -6.877 3.717 1.00 0.00 C ATOM 578 O VAL A 40 2.951 -7.120 4.698 1.00 0.00 O ATOM 579 CB VAL A 40 2.279 -5.931 1.884 1.00 0.00 C ATOM 580 CG1 VAL A 40 3.056 -4.628 2.059 1.00 0.00 C ATOM 581 CG2 VAL A 40 1.792 -6.084 0.451 1.00 0.00 C ATOM 0 H VAL A 40 1.718 -8.531 2.955 1.00 0.00 H new ATOM 0 HA VAL A 40 3.985 -7.237 1.618 1.00 0.00 H new ATOM 0 HB VAL A 40 1.403 -5.898 2.532 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.430 -3.788 1.757 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.340 -4.512 3.105 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.953 -4.653 1.440 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.184 -5.221 0.179 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.649 -6.150 -0.219 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.194 -6.991 0.365 1.00 0.00 H new ATOM 591 N VAL A 41 4.862 -6.343 3.806 1.00 0.00 N ATOM 592 CA VAL A 41 5.453 -6.004 5.092 1.00 0.00 C ATOM 593 C VAL A 41 5.032 -4.587 5.476 1.00 0.00 C ATOM 594 O VAL A 41 5.321 -3.628 4.760 1.00 0.00 O ATOM 595 CB VAL A 41 6.996 -6.117 5.056 1.00 0.00 C ATOM 596 CG1 VAL A 41 7.542 -5.614 3.730 1.00 0.00 C ATOM 597 CG2 VAL A 41 7.633 -5.389 6.237 1.00 0.00 C ATOM 0 H VAL A 41 5.454 -6.135 3.002 1.00 0.00 H new ATOM 0 HA VAL A 41 5.094 -6.712 5.839 1.00 0.00 H new ATOM 0 HB VAL A 41 7.260 -7.171 5.147 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.628 -5.703 3.727 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.127 -6.209 2.916 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.263 -4.569 3.594 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.717 -5.487 6.183 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.362 -4.334 6.203 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.275 -5.826 7.169 1.00 0.00 H new ATOM 607 N LEU A 42 4.320 -4.469 6.589 1.00 0.00 N ATOM 608 CA LEU A 42 3.824 -3.174 7.045 1.00 0.00 C ATOM 609 C LEU A 42 4.942 -2.277 7.575 1.00 0.00 C ATOM 610 O LEU A 42 4.850 -1.051 7.498 1.00 0.00 O ATOM 611 CB LEU A 42 2.761 -3.374 8.127 1.00 0.00 C ATOM 612 CG LEU A 42 1.605 -4.296 7.732 1.00 0.00 C ATOM 613 CD1 LEU A 42 0.550 -4.331 8.824 1.00 0.00 C ATOM 614 CD2 LEU A 42 0.995 -3.850 6.411 1.00 0.00 C ATOM 0 H LEU A 42 4.072 -5.253 7.193 1.00 0.00 H new ATOM 0 HA LEU A 42 3.386 -2.673 6.182 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.242 -3.779 9.018 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.353 -2.401 8.400 1.00 0.00 H new ATOM 0 HG LEU A 42 1.998 -5.305 7.606 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.263 -4.992 8.523 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.995 -4.700 9.748 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.160 -3.326 8.985 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.175 -4.517 6.146 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.618 -2.832 6.510 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.755 -3.881 5.630 1.00 0.00 H new ATOM 626 N SER A 43 5.990 -2.884 8.121 1.00 0.00 N ATOM 627 CA SER A 43 7.111 -2.123 8.672 1.00 0.00 C ATOM 628 C SER A 43 7.706 -1.168 7.640 1.00 0.00 C ATOM 629 O SER A 43 8.360 -0.189 7.995 1.00 0.00 O ATOM 630 CB SER A 43 8.194 -3.072 9.193 1.00 0.00 C ATOM 631 OG SER A 43 9.478 -2.474 9.134 1.00 0.00 O ATOM 0 H SER A 43 6.089 -3.896 8.195 1.00 0.00 H new ATOM 0 HA SER A 43 6.727 -1.526 9.499 1.00 0.00 H new ATOM 0 HB2 SER A 43 7.969 -3.353 10.222 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.191 -3.989 8.604 1.00 0.00 H new ATOM 0 HG SER A 43 10.148 -3.103 9.474 1.00 0.00 H new ATOM 637 N THR A 44 7.485 -1.460 6.365 1.00 0.00 N ATOM 638 CA THR A 44 8.012 -0.622 5.292 1.00 0.00 C ATOM 639 C THR A 44 7.039 0.495 4.935 1.00 0.00 C ATOM 640 O THR A 44 7.439 1.537 4.416 1.00 0.00 O ATOM 641 CB THR A 44 8.322 -1.462 4.046 1.00 0.00 C ATOM 642 OG1 THR A 44 7.293 -1.340 3.080 1.00 0.00 O ATOM 643 CG2 THR A 44 8.494 -2.935 4.339 1.00 0.00 C ATOM 0 H THR A 44 6.947 -2.267 6.048 1.00 0.00 H new ATOM 0 HA THR A 44 8.937 -0.172 5.653 1.00 0.00 H new ATOM 0 HB THR A 44 9.266 -1.067 3.671 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.515 -1.883 2.295 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.711 -3.467 3.413 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.318 -3.073 5.038 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.577 -3.328 4.777 1.00 0.00 H new ATOM 651 N ILE A 45 5.763 0.271 5.209 1.00 0.00 N ATOM 652 CA ILE A 45 4.737 1.261 4.909 1.00 0.00 C ATOM 653 C ILE A 45 5.054 2.596 5.574 1.00 0.00 C ATOM 654 O ILE A 45 4.677 2.840 6.719 1.00 0.00 O ATOM 655 CB ILE A 45 3.343 0.779 5.354 1.00 0.00 C ATOM 656 CG1 ILE A 45 3.018 -0.561 4.693 1.00 0.00 C ATOM 657 CG2 ILE A 45 2.282 1.816 5.010 1.00 0.00 C ATOM 658 CD1 ILE A 45 3.056 -0.512 3.182 1.00 0.00 C ATOM 0 H ILE A 45 5.412 -0.586 5.638 1.00 0.00 H new ATOM 0 HA ILE A 45 4.729 1.397 3.828 1.00 0.00 H new ATOM 0 HB ILE A 45 3.348 0.645 6.436 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.727 -1.311 5.042 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.028 -0.885 5.014 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.305 1.457 5.332 1.00 0.00 H new ATOM 0 HG22 ILE A 45 2.510 2.753 5.519 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.271 1.981 3.933 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.816 -1.496 2.780 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.327 0.214 2.823 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.053 -0.219 2.852 1.00 0.00 H new ATOM 670 N ASP A 46 5.758 3.452 4.842 1.00 0.00 N ATOM 671 CA ASP A 46 6.143 4.763 5.347 1.00 0.00 C ATOM 672 C ASP A 46 4.983 5.753 5.282 1.00 0.00 C ATOM 673 O ASP A 46 4.943 6.716 6.047 1.00 0.00 O ATOM 674 CB ASP A 46 7.330 5.306 4.550 1.00 0.00 C ATOM 675 CG ASP A 46 8.245 6.174 5.392 1.00 0.00 C ATOM 676 OD1 ASP A 46 8.175 6.078 6.636 1.00 0.00 O ATOM 677 OD2 ASP A 46 9.031 6.949 4.808 1.00 0.00 O ATOM 0 H ASP A 46 6.075 3.259 3.892 1.00 0.00 H new ATOM 0 HA ASP A 46 6.428 4.644 6.392 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.901 4.472 4.140 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.961 5.886 3.704 1.00 0.00 H new ATOM 682 N LYS A 47 4.044 5.527 4.365 1.00 0.00 N ATOM 683 CA LYS A 47 2.903 6.423 4.221 1.00 0.00 C ATOM 684 C LYS A 47 1.659 5.674 3.760 1.00 0.00 C ATOM 685 O LYS A 47 1.746 4.690 3.027 1.00 0.00 O ATOM 686 CB LYS A 47 3.231 7.543 3.229 1.00 0.00 C ATOM 687 CG LYS A 47 4.467 8.345 3.598 1.00 0.00 C ATOM 688 CD LYS A 47 4.253 9.148 4.872 1.00 0.00 C ATOM 689 CE LYS A 47 3.976 10.611 4.567 1.00 0.00 C ATOM 690 NZ LYS A 47 3.064 11.226 5.570 1.00 0.00 N ATOM 0 H LYS A 47 4.051 4.739 3.718 1.00 0.00 H new ATOM 0 HA LYS A 47 2.696 6.854 5.200 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.373 7.109 2.239 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.378 8.218 3.162 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.313 7.671 3.730 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.721 9.019 2.780 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.418 8.728 5.433 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.136 9.068 5.507 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.917 11.162 4.546 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.534 10.697 3.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.901 12.224 5.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.157 10.717 5.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.496 11.167 6.514 1.00 0.00 H new ATOM 704 N LEU A 48 0.498 6.158 4.193 1.00 0.00 N ATOM 705 CA LEU A 48 -0.773 5.549 3.825 1.00 0.00 C ATOM 706 C LEU A 48 -1.606 6.515 2.991 1.00 0.00 C ATOM 707 O LEU A 48 -1.876 7.639 3.414 1.00 0.00 O ATOM 708 CB LEU A 48 -1.553 5.141 5.076 1.00 0.00 C ATOM 709 CG LEU A 48 -1.045 3.879 5.775 1.00 0.00 C ATOM 710 CD1 LEU A 48 -1.874 3.591 7.016 1.00 0.00 C ATOM 711 CD2 LEU A 48 -1.080 2.694 4.822 1.00 0.00 C ATOM 0 H LEU A 48 0.413 6.973 4.801 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.564 4.659 3.232 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.527 5.967 5.787 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.597 4.990 4.801 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.012 4.044 6.081 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.500 2.690 7.502 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.801 4.432 7.705 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.916 3.444 6.732 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.715 1.804 5.335 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.104 2.526 4.487 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.446 2.901 3.960 1.00 0.00 H new ATOM 723 N GLN A 49 -2.008 6.073 1.806 1.00 0.00 N ATOM 724 CA GLN A 49 -2.811 6.902 0.917 1.00 0.00 C ATOM 725 C GLN A 49 -4.195 6.297 0.718 1.00 0.00 C ATOM 726 O GLN A 49 -4.336 5.084 0.552 1.00 0.00 O ATOM 727 CB GLN A 49 -2.108 7.070 -0.432 1.00 0.00 C ATOM 728 CG GLN A 49 -1.453 8.430 -0.611 1.00 0.00 C ATOM 729 CD GLN A 49 -0.288 8.643 0.336 1.00 0.00 C ATOM 730 OE1 GLN A 49 0.459 7.711 0.640 1.00 0.00 O ATOM 731 NE2 GLN A 49 -0.125 9.874 0.808 1.00 0.00 N ATOM 0 H GLN A 49 -1.791 5.146 1.439 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.928 7.883 1.377 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.350 6.294 -0.536 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.833 6.917 -1.232 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.104 8.529 -1.639 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.196 9.211 -0.450 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.767 10.616 0.530 1.00 0.00 H new ATOM 0 HE22 GLN A 49 0.642 10.077 1.449 1.00 0.00 H new ATOM 740 N ALA A 50 -5.214 7.146 0.738 1.00 0.00 N ATOM 741 CA ALA A 50 -6.588 6.694 0.562 1.00 0.00 C ATOM 742 C ALA A 50 -7.413 7.733 -0.183 1.00 0.00 C ATOM 743 O ALA A 50 -7.142 8.932 -0.101 1.00 0.00 O ATOM 744 CB ALA A 50 -7.218 6.386 1.911 1.00 0.00 C ATOM 0 H ALA A 50 -5.115 8.152 0.874 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.572 5.783 -0.036 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.244 6.049 1.765 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.647 5.603 2.409 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.215 7.285 2.528 1.00 0.00 H new ATOM 750 N THR A 51 -8.425 7.269 -0.907 1.00 0.00 N ATOM 751 CA THR A 51 -9.292 8.163 -1.665 1.00 0.00 C ATOM 752 C THR A 51 -10.264 8.887 -0.733 1.00 0.00 C ATOM 753 O THR A 51 -10.923 8.259 0.096 1.00 0.00 O ATOM 754 CB THR A 51 -10.066 7.379 -2.725 1.00 0.00 C ATOM 755 OG1 THR A 51 -10.801 6.324 -2.131 1.00 0.00 O ATOM 756 CG2 THR A 51 -9.179 6.777 -3.794 1.00 0.00 C ATOM 0 H THR A 51 -8.665 6.281 -0.985 1.00 0.00 H new ATOM 0 HA THR A 51 -8.669 8.906 -2.162 1.00 0.00 H new ATOM 0 HB THR A 51 -10.728 8.106 -3.195 1.00 0.00 H new ATOM 0 HG1 THR A 51 -11.108 6.599 -1.242 1.00 0.00 H new ATOM 0 HG21 THR A 51 -9.793 6.235 -4.513 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.636 7.571 -4.306 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.469 6.091 -3.333 1.00 0.00 H new ATOM 764 N PRO A 52 -10.366 10.225 -0.851 1.00 0.00 N ATOM 765 CA PRO A 52 -11.261 11.027 -0.008 1.00 0.00 C ATOM 766 C PRO A 52 -12.730 10.676 -0.218 1.00 0.00 C ATOM 767 O PRO A 52 -13.106 10.126 -1.252 1.00 0.00 O ATOM 768 CB PRO A 52 -10.987 12.469 -0.452 1.00 0.00 C ATOM 769 CG PRO A 52 -10.392 12.348 -1.811 1.00 0.00 C ATOM 770 CD PRO A 52 -9.620 11.060 -1.809 1.00 0.00 C ATOM 0 HA PRO A 52 -11.076 10.854 1.052 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.905 13.056 -0.474 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.304 12.970 0.234 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -11.167 12.338 -2.577 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -9.740 13.194 -2.029 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.589 10.607 -2.800 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -8.587 11.210 -1.495 1.00 0.00 H new ATOM 778 N ALA A 53 -13.556 11.002 0.772 1.00 0.00 N ATOM 779 CA ALA A 53 -14.985 10.723 0.700 1.00 0.00 C ATOM 780 C ALA A 53 -15.625 11.442 -0.483 1.00 0.00 C ATOM 781 O ALA A 53 -16.440 10.867 -1.204 1.00 0.00 O ATOM 782 CB ALA A 53 -15.669 11.128 1.997 1.00 0.00 C ATOM 0 H ALA A 53 -13.259 11.460 1.634 1.00 0.00 H new ATOM 0 HA ALA A 53 -15.113 9.650 0.554 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -16.736 10.914 1.928 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -15.239 10.566 2.826 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -15.524 12.195 2.167 1.00 0.00 H new ATOM 788 N SER A 54 -15.246 12.702 -0.681 1.00 0.00 N ATOM 789 CA SER A 54 -15.782 13.495 -1.781 1.00 0.00 C ATOM 790 C SER A 54 -15.477 12.838 -3.121 1.00 0.00 C ATOM 791 O SER A 54 -16.208 13.013 -4.095 1.00 0.00 O ATOM 792 CB SER A 54 -15.204 14.912 -1.747 1.00 0.00 C ATOM 793 OG SER A 54 -15.437 15.527 -0.492 1.00 0.00 O ATOM 0 H SER A 54 -14.571 13.194 -0.095 1.00 0.00 H new ATOM 0 HA SER A 54 -16.864 13.552 -1.663 1.00 0.00 H new ATOM 0 HB2 SER A 54 -14.133 14.876 -1.945 1.00 0.00 H new ATOM 0 HB3 SER A 54 -15.654 15.511 -2.538 1.00 0.00 H new ATOM 0 HG SER A 54 -15.057 16.430 -0.495 1.00 0.00 H new ATOM 799 N SER A 55 -14.389 12.080 -3.159 1.00 0.00 N ATOM 800 CA SER A 55 -13.976 11.389 -4.366 1.00 0.00 C ATOM 801 C SER A 55 -14.737 10.085 -4.531 1.00 0.00 C ATOM 802 O SER A 55 -14.649 9.191 -3.690 1.00 0.00 O ATOM 803 CB SER A 55 -12.471 11.114 -4.330 1.00 0.00 C ATOM 804 OG SER A 55 -12.074 10.311 -5.428 1.00 0.00 O ATOM 0 H SER A 55 -13.774 11.930 -2.359 1.00 0.00 H new ATOM 0 HA SER A 55 -14.202 12.030 -5.218 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.925 12.057 -4.349 1.00 0.00 H new ATOM 0 HB3 SER A 55 -12.211 10.614 -3.397 1.00 0.00 H new ATOM 0 HG SER A 55 -11.910 10.881 -6.208 1.00 0.00 H new ATOM 810 N GLU A 56 -15.473 9.976 -5.631 1.00 0.00 N ATOM 811 CA GLU A 56 -16.239 8.770 -5.916 1.00 0.00 C ATOM 812 C GLU A 56 -15.322 7.551 -5.946 1.00 0.00 C ATOM 813 O GLU A 56 -15.780 6.414 -5.836 1.00 0.00 O ATOM 814 CB GLU A 56 -16.967 8.908 -7.255 1.00 0.00 C ATOM 815 CG GLU A 56 -17.991 10.030 -7.277 1.00 0.00 C ATOM 816 CD GLU A 56 -18.744 10.107 -8.591 1.00 0.00 C ATOM 817 OE1 GLU A 56 -18.316 9.447 -9.561 1.00 0.00 O ATOM 818 OE2 GLU A 56 -19.763 10.828 -8.650 1.00 0.00 O ATOM 0 H GLU A 56 -15.555 10.706 -6.338 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.976 8.635 -5.125 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -16.233 9.082 -8.042 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -17.466 7.967 -7.486 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -18.702 9.884 -6.463 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -17.488 10.980 -7.095 1.00 0.00 H new ATOM 825 N LYS A 57 -14.023 7.801 -6.096 1.00 0.00 N ATOM 826 CA LYS A 57 -13.039 6.726 -6.140 1.00 0.00 C ATOM 827 C LYS A 57 -13.057 5.920 -4.845 1.00 0.00 C ATOM 828 O LYS A 57 -13.471 6.415 -3.797 1.00 0.00 O ATOM 829 CB LYS A 57 -11.640 7.297 -6.380 1.00 0.00 C ATOM 830 CG LYS A 57 -11.566 8.250 -7.561 1.00 0.00 C ATOM 831 CD LYS A 57 -12.106 7.612 -8.831 1.00 0.00 C ATOM 832 CE LYS A 57 -11.651 8.365 -10.071 1.00 0.00 C ATOM 833 NZ LYS A 57 -12.469 9.585 -10.311 1.00 0.00 N ATOM 0 H LYS A 57 -13.630 8.737 -6.189 1.00 0.00 H new ATOM 0 HA LYS A 57 -13.299 6.062 -6.964 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.311 7.819 -5.482 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.944 6.474 -6.544 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -12.134 9.153 -7.337 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.532 8.555 -7.718 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -11.771 6.576 -8.890 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -13.195 7.593 -8.795 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.604 8.646 -9.961 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.715 7.708 -10.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -12.127 10.070 -11.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.465 9.315 -10.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.388 10.224 -9.494 1.00 0.00 H new ATOM 847 N MET A 58 -12.608 4.672 -4.927 1.00 0.00 N ATOM 848 CA MET A 58 -12.572 3.790 -3.765 1.00 0.00 C ATOM 849 C MET A 58 -11.331 2.904 -3.796 1.00 0.00 C ATOM 850 O MET A 58 -11.403 1.738 -4.185 1.00 0.00 O ATOM 851 CB MET A 58 -13.829 2.921 -3.734 1.00 0.00 C ATOM 852 CG MET A 58 -15.113 3.702 -3.955 1.00 0.00 C ATOM 853 SD MET A 58 -16.581 2.774 -3.476 1.00 0.00 S ATOM 854 CE MET A 58 -16.103 2.223 -1.842 1.00 0.00 C ATOM 0 H MET A 58 -12.263 4.247 -5.788 1.00 0.00 H new ATOM 0 HA MET A 58 -12.534 4.405 -2.866 1.00 0.00 H new ATOM 0 HB2 MET A 58 -13.746 2.150 -4.500 1.00 0.00 H new ATOM 0 HB3 MET A 58 -13.885 2.411 -2.772 1.00 0.00 H new ATOM 0 HG2 MET A 58 -15.072 4.630 -3.384 1.00 0.00 H new ATOM 0 HG3 MET A 58 -15.189 3.978 -5.007 1.00 0.00 H new ATOM 0 HE1 MET A 58 -16.977 1.836 -1.318 1.00 0.00 H new ATOM 0 HE2 MET A 58 -15.353 1.436 -1.928 1.00 0.00 H new ATOM 0 HE3 MET A 58 -15.687 3.061 -1.283 1.00 0.00 H new ATOM 864 N MET A 59 -10.193 3.460 -3.389 1.00 0.00 N ATOM 865 CA MET A 59 -8.940 2.710 -3.382 1.00 0.00 C ATOM 866 C MET A 59 -8.026 3.152 -2.242 1.00 0.00 C ATOM 867 O MET A 59 -8.249 4.187 -1.614 1.00 0.00 O ATOM 868 CB MET A 59 -8.213 2.888 -4.717 1.00 0.00 C ATOM 869 CG MET A 59 -8.781 2.039 -5.844 1.00 0.00 C ATOM 870 SD MET A 59 -9.229 3.013 -7.296 1.00 0.00 S ATOM 871 CE MET A 59 -7.810 4.098 -7.426 1.00 0.00 C ATOM 0 H MET A 59 -10.112 4.423 -3.061 1.00 0.00 H new ATOM 0 HA MET A 59 -9.187 1.659 -3.233 1.00 0.00 H new ATOM 0 HB2 MET A 59 -8.258 3.938 -5.007 1.00 0.00 H new ATOM 0 HB3 MET A 59 -7.160 2.639 -4.583 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.047 1.285 -6.130 1.00 0.00 H new ATOM 0 HG3 MET A 59 -9.661 1.507 -5.484 1.00 0.00 H new ATOM 0 HE1 MET A 59 -7.561 4.247 -8.477 1.00 0.00 H new ATOM 0 HE2 MET A 59 -8.044 5.059 -6.969 1.00 0.00 H new ATOM 0 HE3 MET A 59 -6.960 3.649 -6.912 1.00 0.00 H new ATOM 881 N LEU A 60 -6.989 2.358 -1.992 1.00 0.00 N ATOM 882 CA LEU A 60 -6.019 2.651 -0.942 1.00 0.00 C ATOM 883 C LEU A 60 -4.604 2.400 -1.453 1.00 0.00 C ATOM 884 O LEU A 60 -4.315 1.337 -2.001 1.00 0.00 O ATOM 885 CB LEU A 60 -6.293 1.789 0.292 1.00 0.00 C ATOM 886 CG LEU A 60 -5.649 2.283 1.588 1.00 0.00 C ATOM 887 CD1 LEU A 60 -6.374 3.514 2.106 1.00 0.00 C ATOM 888 CD2 LEU A 60 -5.649 1.177 2.633 1.00 0.00 C ATOM 0 H LEU A 60 -6.798 1.499 -2.508 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.114 3.700 -0.662 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.371 1.729 0.441 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.941 0.777 0.093 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.615 2.559 1.381 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.903 3.852 3.029 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.323 4.307 1.360 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.417 3.267 2.301 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.188 1.543 3.550 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.675 0.872 2.840 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.085 0.323 2.259 1.00 0.00 H new ATOM 900 N ARG A 61 -3.727 3.385 -1.285 1.00 0.00 N ATOM 901 CA ARG A 61 -2.349 3.260 -1.751 1.00 0.00 C ATOM 902 C ARG A 61 -1.356 3.248 -0.589 1.00 0.00 C ATOM 903 O ARG A 61 -1.288 4.194 0.195 1.00 0.00 O ATOM 904 CB ARG A 61 -2.017 4.406 -2.712 1.00 0.00 C ATOM 905 CG ARG A 61 -0.561 4.436 -3.156 1.00 0.00 C ATOM 906 CD ARG A 61 -0.432 4.756 -4.637 1.00 0.00 C ATOM 907 NE ARG A 61 0.450 3.816 -5.326 1.00 0.00 N ATOM 908 CZ ARG A 61 0.752 3.893 -6.619 1.00 0.00 C ATOM 909 NH1 ARG A 61 0.247 4.866 -7.369 1.00 0.00 N ATOM 910 NH2 ARG A 61 1.560 2.996 -7.167 1.00 0.00 N ATOM 0 H ARG A 61 -3.943 4.273 -0.833 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.260 2.307 -2.273 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.654 4.324 -3.593 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.259 5.353 -2.230 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.018 5.181 -2.574 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.098 3.471 -2.950 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.419 4.733 -5.100 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.047 5.769 -4.757 1.00 0.00 H new ATOM 0 HE ARG A 61 0.858 3.055 -4.783 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.376 5.559 -6.954 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.482 4.920 -8.360 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.951 2.246 -6.597 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.791 3.056 -8.159 1.00 0.00 H new ATOM 924 N LEU A 62 -0.572 2.177 -0.505 1.00 0.00 N ATOM 925 CA LEU A 62 0.439 2.036 0.540 1.00 0.00 C ATOM 926 C LEU A 62 1.801 2.459 0.005 1.00 0.00 C ATOM 927 O LEU A 62 2.149 2.157 -1.136 1.00 0.00 O ATOM 928 CB LEU A 62 0.505 0.587 1.030 1.00 0.00 C ATOM 929 CG LEU A 62 -0.681 0.102 1.874 1.00 0.00 C ATOM 930 CD1 LEU A 62 -1.962 0.838 1.507 1.00 0.00 C ATOM 931 CD2 LEU A 62 -0.864 -1.398 1.702 1.00 0.00 C ATOM 0 H LEU A 62 -0.618 1.390 -1.152 1.00 0.00 H new ATOM 0 HA LEU A 62 0.164 2.678 1.377 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.596 -0.065 0.161 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.415 0.465 1.617 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.463 0.318 2.920 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.782 0.470 2.123 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.830 1.906 1.679 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.192 0.665 0.456 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.708 -1.733 2.305 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.055 -1.623 0.653 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.040 -1.914 2.025 1.00 0.00 H new ATOM 943 N ILE A 63 2.565 3.161 0.829 1.00 0.00 N ATOM 944 CA ILE A 63 3.886 3.626 0.423 1.00 0.00 C ATOM 945 C ILE A 63 4.976 2.978 1.266 1.00 0.00 C ATOM 946 O ILE A 63 5.014 3.147 2.482 1.00 0.00 O ATOM 947 CB ILE A 63 4.005 5.157 0.541 1.00 0.00 C ATOM 948 CG1 ILE A 63 2.744 5.839 -0.021 1.00 0.00 C ATOM 949 CG2 ILE A 63 5.265 5.639 -0.165 1.00 0.00 C ATOM 950 CD1 ILE A 63 2.974 6.634 -1.289 1.00 0.00 C ATOM 0 H ILE A 63 2.296 3.421 1.778 1.00 0.00 H new ATOM 0 HA ILE A 63 4.016 3.339 -0.621 1.00 0.00 H new ATOM 0 HB ILE A 63 4.085 5.430 1.593 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.990 5.076 -0.217 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.335 6.503 0.740 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.340 6.723 -0.076 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.139 5.176 0.293 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.219 5.364 -1.219 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.034 7.080 -1.615 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.702 7.422 -1.097 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.352 5.973 -2.069 1.00 0.00 H new ATOM 962 N GLY A 64 5.866 2.241 0.611 1.00 0.00 N ATOM 963 CA GLY A 64 6.948 1.585 1.319 1.00 0.00 C ATOM 964 C GLY A 64 8.178 2.464 1.429 1.00 0.00 C ATOM 965 O GLY A 64 8.414 3.320 0.577 1.00 0.00 O ATOM 0 H GLY A 64 5.857 2.086 -0.397 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.611 1.309 2.318 1.00 0.00 H new ATOM 0 HA3 GLY A 64 7.209 0.661 0.804 1.00 0.00 H new ATOM 969 N LYS A 65 8.963 2.254 2.480 1.00 0.00 N ATOM 970 CA LYS A 65 10.175 3.038 2.695 1.00 0.00 C ATOM 971 C LYS A 65 11.132 2.888 1.517 1.00 0.00 C ATOM 972 O LYS A 65 11.351 1.783 1.019 1.00 0.00 O ATOM 973 CB LYS A 65 10.867 2.605 3.990 1.00 0.00 C ATOM 974 CG LYS A 65 10.064 2.923 5.240 1.00 0.00 C ATOM 975 CD LYS A 65 10.959 3.047 6.462 1.00 0.00 C ATOM 976 CE LYS A 65 10.332 3.937 7.521 1.00 0.00 C ATOM 977 NZ LYS A 65 10.850 5.333 7.452 1.00 0.00 N ATOM 0 H LYS A 65 8.783 1.549 3.195 1.00 0.00 H new ATOM 0 HA LYS A 65 9.891 4.087 2.779 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.055 1.532 3.951 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.838 3.096 4.056 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.515 3.853 5.094 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.325 2.140 5.407 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.145 2.058 6.880 1.00 0.00 H new ATOM 0 HD3 LYS A 65 11.925 3.456 6.167 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.249 3.945 7.394 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.534 3.523 8.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.261 5.596 8.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.581 5.396 6.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.070 5.982 7.223 1.00 0.00 H new ATOM 991 N VAL A 66 11.696 4.006 1.072 1.00 0.00 N ATOM 992 CA VAL A 66 12.624 3.996 -0.052 1.00 0.00 C ATOM 993 C VAL A 66 14.016 3.551 0.386 1.00 0.00 C ATOM 994 O VAL A 66 14.203 3.037 1.489 1.00 0.00 O ATOM 995 CB VAL A 66 12.708 5.387 -0.726 1.00 0.00 C ATOM 996 CG1 VAL A 66 13.725 6.283 -0.031 1.00 0.00 C ATOM 997 CG2 VAL A 66 13.025 5.256 -2.212 1.00 0.00 C ATOM 0 H VAL A 66 11.527 4.929 1.472 1.00 0.00 H new ATOM 0 HA VAL A 66 12.239 3.280 -0.778 1.00 0.00 H new ATOM 0 HB VAL A 66 11.730 5.859 -0.628 1.00 0.00 H new ATOM 0 HG11 VAL A 66 13.758 7.251 -0.530 1.00 0.00 H new ATOM 0 HG12 VAL A 66 13.436 6.421 1.011 1.00 0.00 H new ATOM 0 HG13 VAL A 66 14.710 5.818 -0.076 1.00 0.00 H new ATOM 0 HG21 VAL A 66 13.078 6.248 -2.661 1.00 0.00 H new ATOM 0 HG22 VAL A 66 13.982 4.749 -2.337 1.00 0.00 H new ATOM 0 HG23 VAL A 66 12.242 4.677 -2.702 1.00 0.00 H new ATOM 1007 N ASP A 67 14.984 3.753 -0.496 1.00 0.00 N ATOM 1008 CA ASP A 67 16.363 3.384 -0.230 1.00 0.00 C ATOM 1009 C ASP A 67 17.322 4.339 -0.938 1.00 0.00 C ATOM 1010 O ASP A 67 18.129 3.925 -1.770 1.00 0.00 O ATOM 1011 CB ASP A 67 16.604 1.947 -0.691 1.00 0.00 C ATOM 1012 CG ASP A 67 16.498 1.786 -2.197 1.00 0.00 C ATOM 1013 OD1 ASP A 67 16.219 2.791 -2.886 1.00 0.00 O ATOM 1014 OD2 ASP A 67 16.692 0.654 -2.687 1.00 0.00 O ATOM 0 H ASP A 67 14.835 4.176 -1.412 1.00 0.00 H new ATOM 0 HA ASP A 67 16.548 3.453 0.842 1.00 0.00 H new ATOM 0 HB2 ASP A 67 17.594 1.627 -0.365 1.00 0.00 H new ATOM 0 HB3 ASP A 67 15.881 1.289 -0.208 1.00 0.00 H new ATOM 1019 N GLU A 68 17.221 5.622 -0.605 1.00 0.00 N ATOM 1020 CA GLU A 68 18.071 6.639 -1.214 1.00 0.00 C ATOM 1021 C GLU A 68 19.548 6.310 -1.033 1.00 0.00 C ATOM 1022 O GLU A 68 20.396 6.776 -1.794 1.00 0.00 O ATOM 1023 CB GLU A 68 17.766 8.016 -0.623 1.00 0.00 C ATOM 1024 CG GLU A 68 16.391 8.548 -0.993 1.00 0.00 C ATOM 1025 CD GLU A 68 16.157 9.960 -0.494 1.00 0.00 C ATOM 1026 OE1 GLU A 68 16.957 10.439 0.337 1.00 0.00 O ATOM 1027 OE2 GLU A 68 15.171 10.590 -0.934 1.00 0.00 O ATOM 0 H GLU A 68 16.559 5.982 0.083 1.00 0.00 H new ATOM 0 HA GLU A 68 17.855 6.654 -2.282 1.00 0.00 H new ATOM 0 HB2 GLU A 68 17.845 7.961 0.463 1.00 0.00 H new ATOM 0 HB3 GLU A 68 18.523 8.723 -0.962 1.00 0.00 H new ATOM 0 HG2 GLU A 68 16.277 8.526 -2.077 1.00 0.00 H new ATOM 0 HG3 GLU A 68 15.627 7.889 -0.579 1.00 0.00 H new ATOM 1034 N SER A 69 19.850 5.500 -0.027 1.00 0.00 N ATOM 1035 CA SER A 69 21.226 5.105 0.247 1.00 0.00 C ATOM 1036 C SER A 69 21.837 4.382 -0.951 1.00 0.00 C ATOM 1037 O SER A 69 23.057 4.252 -1.052 1.00 0.00 O ATOM 1038 CB SER A 69 21.284 4.207 1.484 1.00 0.00 C ATOM 1039 OG SER A 69 22.625 3.923 1.845 1.00 0.00 O ATOM 0 H SER A 69 19.161 5.104 0.613 1.00 0.00 H new ATOM 0 HA SER A 69 21.805 6.009 0.435 1.00 0.00 H new ATOM 0 HB2 SER A 69 20.776 4.695 2.316 1.00 0.00 H new ATOM 0 HB3 SER A 69 20.752 3.276 1.287 1.00 0.00 H new ATOM 0 HG SER A 69 22.635 3.349 2.639 1.00 0.00 H new ATOM 1045 N LYS A 70 20.984 3.910 -1.859 1.00 0.00 N ATOM 1046 CA LYS A 70 21.449 3.201 -3.046 1.00 0.00 C ATOM 1047 C LYS A 70 22.130 4.154 -4.023 1.00 0.00 C ATOM 1048 O LYS A 70 23.243 3.896 -4.482 1.00 0.00 O ATOM 1049 CB LYS A 70 20.279 2.496 -3.736 1.00 0.00 C ATOM 1050 CG LYS A 70 19.584 1.470 -2.856 1.00 0.00 C ATOM 1051 CD LYS A 70 20.539 0.368 -2.423 1.00 0.00 C ATOM 1052 CE LYS A 70 19.811 -0.738 -1.679 1.00 0.00 C ATOM 1053 NZ LYS A 70 19.472 -1.880 -2.571 1.00 0.00 N ATOM 0 H LYS A 70 19.971 4.006 -1.794 1.00 0.00 H new ATOM 0 HA LYS A 70 22.179 2.456 -2.728 1.00 0.00 H new ATOM 0 HB2 LYS A 70 19.551 3.243 -4.053 1.00 0.00 H new ATOM 0 HB3 LYS A 70 20.643 2.003 -4.637 1.00 0.00 H new ATOM 0 HG2 LYS A 70 19.173 1.963 -1.975 1.00 0.00 H new ATOM 0 HG3 LYS A 70 18.745 1.034 -3.398 1.00 0.00 H new ATOM 0 HD2 LYS A 70 21.037 -0.048 -3.299 1.00 0.00 H new ATOM 0 HD3 LYS A 70 21.315 0.788 -1.784 1.00 0.00 H new ATOM 0 HE2 LYS A 70 20.433 -1.092 -0.857 1.00 0.00 H new ATOM 0 HE3 LYS A 70 18.898 -0.338 -1.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 18.976 -2.613 -2.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 18.857 -1.548 -3.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 20.345 -2.279 -2.972 1.00 0.00 H new ATOM 1067 N LYS A 71 21.455 5.254 -4.339 1.00 0.00 N ATOM 1068 CA LYS A 71 21.995 6.244 -5.263 1.00 0.00 C ATOM 1069 C LYS A 71 22.177 5.642 -6.653 1.00 0.00 C ATOM 1070 O LYS A 71 23.195 5.011 -6.940 1.00 0.00 O ATOM 1071 CB LYS A 71 23.329 6.787 -4.747 1.00 0.00 C ATOM 1072 CG LYS A 71 23.191 8.061 -3.932 1.00 0.00 C ATOM 1073 CD LYS A 71 23.031 9.280 -4.827 1.00 0.00 C ATOM 1074 CE LYS A 71 23.095 10.570 -4.028 1.00 0.00 C ATOM 1075 NZ LYS A 71 21.739 11.096 -3.708 1.00 0.00 N ATOM 0 H LYS A 71 20.533 5.482 -3.968 1.00 0.00 H new ATOM 0 HA LYS A 71 21.284 7.067 -5.332 1.00 0.00 H new ATOM 0 HB2 LYS A 71 23.810 6.024 -4.135 1.00 0.00 H new ATOM 0 HB3 LYS A 71 23.987 6.977 -5.595 1.00 0.00 H new ATOM 0 HG2 LYS A 71 22.329 7.979 -3.270 1.00 0.00 H new ATOM 0 HG3 LYS A 71 24.069 8.186 -3.299 1.00 0.00 H new ATOM 0 HD2 LYS A 71 23.814 9.281 -5.585 1.00 0.00 H new ATOM 0 HD3 LYS A 71 22.078 9.224 -5.353 1.00 0.00 H new ATOM 0 HE2 LYS A 71 23.644 10.396 -3.103 1.00 0.00 H new ATOM 0 HE3 LYS A 71 23.650 11.319 -4.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 21.828 11.977 -3.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 21.223 11.286 -4.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 21.217 10.393 -3.147 1.00 0.00 H new ATOM 1089 N ARG A 72 21.182 5.839 -7.509 1.00 0.00 N ATOM 1090 CA ARG A 72 21.229 5.317 -8.869 1.00 0.00 C ATOM 1091 C ARG A 72 21.641 6.406 -9.853 1.00 0.00 C ATOM 1092 O ARG A 72 21.683 7.586 -9.502 1.00 0.00 O ATOM 1093 CB ARG A 72 19.867 4.744 -9.266 1.00 0.00 C ATOM 1094 CG ARG A 72 19.414 3.591 -8.388 1.00 0.00 C ATOM 1095 CD ARG A 72 20.313 2.376 -8.552 1.00 0.00 C ATOM 1096 NE ARG A 72 19.822 1.225 -7.801 1.00 0.00 N ATOM 1097 CZ ARG A 72 20.204 -0.030 -8.032 1.00 0.00 C ATOM 1098 NH1 ARG A 72 21.081 -0.297 -8.991 1.00 0.00 N ATOM 1099 NH2 ARG A 72 19.709 -1.018 -7.299 1.00 0.00 N ATOM 0 H ARG A 72 20.332 6.357 -7.285 1.00 0.00 H new ATOM 0 HA ARG A 72 21.973 4.521 -8.901 1.00 0.00 H new ATOM 0 HB2 ARG A 72 19.121 5.538 -9.222 1.00 0.00 H new ATOM 0 HB3 ARG A 72 19.912 4.406 -10.301 1.00 0.00 H new ATOM 0 HG2 ARG A 72 19.414 3.906 -7.344 1.00 0.00 H new ATOM 0 HG3 ARG A 72 18.388 3.322 -8.640 1.00 0.00 H new ATOM 0 HD2 ARG A 72 20.382 2.116 -9.608 1.00 0.00 H new ATOM 0 HD3 ARG A 72 21.321 2.623 -8.218 1.00 0.00 H new ATOM 0 HE ARG A 72 19.146 1.391 -7.055 1.00 0.00 H new ATOM 0 HH11 ARG A 72 21.466 0.460 -9.555 1.00 0.00 H new ATOM 0 HH12 ARG A 72 21.370 -1.260 -9.164 1.00 0.00 H new ATOM 0 HH21 ARG A 72 19.036 -0.817 -6.559 1.00 0.00 H new ATOM 0 HH22 ARG A 72 20.001 -1.979 -7.475 1.00 0.00 H new ATOM 1113 N LYS A 73 21.946 6.007 -11.082 1.00 0.00 N ATOM 1114 CA LYS A 73 22.357 6.957 -12.108 1.00 0.00 C ATOM 1115 C LYS A 73 21.477 6.840 -13.348 1.00 0.00 C ATOM 1116 O LYS A 73 21.013 5.754 -13.695 1.00 0.00 O ATOM 1117 CB LYS A 73 23.821 6.736 -12.487 1.00 0.00 C ATOM 1118 CG LYS A 73 24.782 6.903 -11.321 1.00 0.00 C ATOM 1119 CD LYS A 73 25.938 7.825 -11.677 1.00 0.00 C ATOM 1120 CE LYS A 73 27.251 7.323 -11.099 1.00 0.00 C ATOM 1121 NZ LYS A 73 28.335 8.338 -11.219 1.00 0.00 N ATOM 0 H LYS A 73 21.917 5.036 -11.391 1.00 0.00 H new ATOM 0 HA LYS A 73 22.243 7.960 -11.698 1.00 0.00 H new ATOM 0 HB2 LYS A 73 23.934 5.733 -12.899 1.00 0.00 H new ATOM 0 HB3 LYS A 73 24.094 7.438 -13.275 1.00 0.00 H new ATOM 0 HG2 LYS A 73 24.246 7.306 -10.462 1.00 0.00 H new ATOM 0 HG3 LYS A 73 25.171 5.928 -11.026 1.00 0.00 H new ATOM 0 HD2 LYS A 73 26.023 7.902 -12.761 1.00 0.00 H new ATOM 0 HD3 LYS A 73 25.734 8.828 -11.301 1.00 0.00 H new ATOM 0 HE2 LYS A 73 27.110 7.064 -10.049 1.00 0.00 H new ATOM 0 HE3 LYS A 73 27.549 6.410 -11.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 29.214 7.957 -10.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 28.487 8.566 -12.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 28.062 9.200 -10.705 1.00 0.00 H new ATOM 1135 N ASP A 74 21.254 7.970 -14.013 1.00 0.00 N ATOM 1136 CA ASP A 74 20.432 8.001 -15.216 1.00 0.00 C ATOM 1137 C ASP A 74 21.268 7.681 -16.452 1.00 0.00 C ATOM 1138 O ASP A 74 22.493 7.584 -16.377 1.00 0.00 O ATOM 1139 CB ASP A 74 19.773 9.374 -15.374 1.00 0.00 C ATOM 1140 CG ASP A 74 18.485 9.310 -16.170 1.00 0.00 C ATOM 1141 OD1 ASP A 74 17.937 8.198 -16.327 1.00 0.00 O ATOM 1142 OD2 ASP A 74 18.025 10.371 -16.639 1.00 0.00 O ATOM 0 H ASP A 74 21.632 8.877 -13.738 1.00 0.00 H new ATOM 0 HA ASP A 74 19.656 7.242 -15.116 1.00 0.00 H new ATOM 0 HB2 ASP A 74 19.567 9.790 -14.388 1.00 0.00 H new ATOM 0 HB3 ASP A 74 20.468 10.053 -15.868 1.00 0.00 H new ATOM 1147 N ASN A 75 20.598 7.516 -17.588 1.00 0.00 N ATOM 1148 CA ASN A 75 21.277 7.205 -18.842 1.00 0.00 C ATOM 1149 C ASN A 75 22.232 8.324 -19.249 1.00 0.00 C ATOM 1150 O ASN A 75 23.122 8.120 -20.077 1.00 0.00 O ATOM 1151 CB ASN A 75 20.253 6.963 -19.952 1.00 0.00 C ATOM 1152 CG ASN A 75 19.378 5.755 -19.680 1.00 0.00 C ATOM 1153 OD1 ASN A 75 19.733 4.884 -18.886 1.00 0.00 O ATOM 1154 ND2 ASN A 75 18.226 5.699 -20.338 1.00 0.00 N ATOM 0 H ASN A 75 19.584 7.593 -17.666 1.00 0.00 H new ATOM 0 HA ASN A 75 21.863 6.299 -18.689 1.00 0.00 H new ATOM 0 HB2 ASN A 75 19.624 7.846 -20.061 1.00 0.00 H new ATOM 0 HB3 ASN A 75 20.774 6.824 -20.899 1.00 0.00 H new ATOM 0 HD21 ASN A 75 17.595 4.911 -20.195 1.00 0.00 H new ATOM 0 HD22 ASN A 75 17.973 6.444 -20.987 1.00 0.00 H new ATOM 1161 N GLU A 76 22.046 9.507 -18.673 1.00 0.00 N ATOM 1162 CA GLU A 76 22.893 10.651 -18.986 1.00 0.00 C ATOM 1163 C GLU A 76 24.157 10.663 -18.124 1.00 0.00 C ATOM 1164 O GLU A 76 24.953 11.598 -18.194 1.00 0.00 O ATOM 1165 CB GLU A 76 22.119 11.955 -18.787 1.00 0.00 C ATOM 1166 CG GLU A 76 20.896 12.077 -19.683 1.00 0.00 C ATOM 1167 CD GLU A 76 20.183 13.407 -19.521 1.00 0.00 C ATOM 1168 OE1 GLU A 76 20.497 14.136 -18.557 1.00 0.00 O ATOM 1169 OE2 GLU A 76 19.311 13.719 -20.358 1.00 0.00 O ATOM 0 H GLU A 76 21.316 9.698 -17.987 1.00 0.00 H new ATOM 0 HA GLU A 76 23.193 10.564 -20.030 1.00 0.00 H new ATOM 0 HB2 GLU A 76 21.805 12.027 -17.746 1.00 0.00 H new ATOM 0 HB3 GLU A 76 22.785 12.796 -18.978 1.00 0.00 H new ATOM 0 HG2 GLU A 76 21.199 11.956 -20.723 1.00 0.00 H new ATOM 0 HG3 GLU A 76 20.202 11.267 -19.457 1.00 0.00 H new ATOM 1176 N GLY A 77 24.337 9.622 -17.315 1.00 0.00 N ATOM 1177 CA GLY A 77 25.508 9.545 -16.461 1.00 0.00 C ATOM 1178 C GLY A 77 25.341 10.316 -15.163 1.00 0.00 C ATOM 1179 O GLY A 77 26.272 10.394 -14.360 1.00 0.00 O ATOM 0 H GLY A 77 23.695 8.833 -17.236 1.00 0.00 H new ATOM 0 HA2 GLY A 77 25.718 8.500 -16.233 1.00 0.00 H new ATOM 0 HA3 GLY A 77 26.372 9.933 -17.001 1.00 0.00 H new ATOM 1183 N ASN A 78 24.157 10.887 -14.953 1.00 0.00 N ATOM 1184 CA ASN A 78 23.885 11.650 -13.740 1.00 0.00 C ATOM 1185 C ASN A 78 23.297 10.752 -12.657 1.00 0.00 C ATOM 1186 O ASN A 78 22.911 9.616 -12.924 1.00 0.00 O ATOM 1187 CB ASN A 78 22.925 12.803 -14.043 1.00 0.00 C ATOM 1188 CG ASN A 78 21.568 12.319 -14.515 1.00 0.00 C ATOM 1189 OD1 ASN A 78 20.923 11.503 -13.855 1.00 0.00 O ATOM 1190 ND2 ASN A 78 21.127 12.819 -15.663 1.00 0.00 N ATOM 0 H ASN A 78 23.374 10.835 -15.605 1.00 0.00 H new ATOM 0 HA ASN A 78 24.827 12.059 -13.376 1.00 0.00 H new ATOM 0 HB2 ASN A 78 22.799 13.412 -13.148 1.00 0.00 H new ATOM 0 HB3 ASN A 78 23.364 13.446 -14.806 1.00 0.00 H new ATOM 0 HD21 ASN A 78 20.221 12.529 -16.031 1.00 0.00 H new ATOM 0 HD22 ASN A 78 21.694 13.493 -16.177 1.00 0.00 H new ATOM 1197 N GLU A 79 23.234 11.270 -11.434 1.00 0.00 N ATOM 1198 CA GLU A 79 22.691 10.511 -10.311 1.00 0.00 C ATOM 1199 C GLU A 79 21.215 10.832 -10.102 1.00 0.00 C ATOM 1200 O GLU A 79 20.750 11.918 -10.450 1.00 0.00 O ATOM 1201 CB GLU A 79 23.476 10.818 -9.034 1.00 0.00 C ATOM 1202 CG GLU A 79 24.899 10.284 -9.049 1.00 0.00 C ATOM 1203 CD GLU A 79 24.981 8.828 -8.629 1.00 0.00 C ATOM 1204 OE1 GLU A 79 23.917 8.201 -8.446 1.00 0.00 O ATOM 1205 OE2 GLU A 79 26.110 8.318 -8.481 1.00 0.00 O ATOM 0 H GLU A 79 23.551 12.210 -11.195 1.00 0.00 H new ATOM 0 HA GLU A 79 22.786 9.450 -10.542 1.00 0.00 H new ATOM 0 HB2 GLU A 79 23.504 11.898 -8.886 1.00 0.00 H new ATOM 0 HB3 GLU A 79 22.947 10.393 -8.181 1.00 0.00 H new ATOM 0 HG2 GLU A 79 25.313 10.393 -10.051 1.00 0.00 H new ATOM 0 HG3 GLU A 79 25.516 10.886 -8.382 1.00 0.00 H new ATOM 1212 N VAL A 80 20.479 9.882 -9.532 1.00 0.00 N ATOM 1213 CA VAL A 80 19.054 10.071 -9.279 1.00 0.00 C ATOM 1214 C VAL A 80 18.661 9.531 -7.912 1.00 0.00 C ATOM 1215 O VAL A 80 19.347 8.680 -7.346 1.00 0.00 O ATOM 1216 CB VAL A 80 18.181 9.386 -10.361 1.00 0.00 C ATOM 1217 CG1 VAL A 80 18.780 9.591 -11.744 1.00 0.00 C ATOM 1218 CG2 VAL A 80 18.000 7.897 -10.067 1.00 0.00 C ATOM 0 H VAL A 80 20.844 8.976 -9.237 1.00 0.00 H new ATOM 0 HA VAL A 80 18.875 11.146 -9.310 1.00 0.00 H new ATOM 0 HB VAL A 80 17.196 9.853 -10.339 1.00 0.00 H new ATOM 0 HG11 VAL A 80 18.152 9.102 -12.489 1.00 0.00 H new ATOM 0 HG12 VAL A 80 18.837 10.658 -11.961 1.00 0.00 H new ATOM 0 HG13 VAL A 80 19.781 9.160 -11.775 1.00 0.00 H new ATOM 0 HG21 VAL A 80 17.383 7.445 -10.844 1.00 0.00 H new ATOM 0 HG22 VAL A 80 18.974 7.409 -10.048 1.00 0.00 H new ATOM 0 HG23 VAL A 80 17.513 7.774 -9.100 1.00 0.00 H new ATOM 1228 N VAL A 81 17.539 10.016 -7.396 1.00 0.00 N ATOM 1229 CA VAL A 81 17.033 9.567 -6.108 1.00 0.00 C ATOM 1230 C VAL A 81 15.891 8.580 -6.324 1.00 0.00 C ATOM 1231 O VAL A 81 14.756 8.984 -6.580 1.00 0.00 O ATOM 1232 CB VAL A 81 16.531 10.746 -5.252 1.00 0.00 C ATOM 1233 CG1 VAL A 81 16.132 10.269 -3.865 1.00 0.00 C ATOM 1234 CG2 VAL A 81 17.592 11.834 -5.166 1.00 0.00 C ATOM 0 H VAL A 81 16.962 10.722 -7.852 1.00 0.00 H new ATOM 0 HA VAL A 81 17.853 9.086 -5.576 1.00 0.00 H new ATOM 0 HB VAL A 81 15.648 11.169 -5.732 1.00 0.00 H new ATOM 0 HG11 VAL A 81 15.780 11.116 -3.276 1.00 0.00 H new ATOM 0 HG12 VAL A 81 15.335 9.530 -3.950 1.00 0.00 H new ATOM 0 HG13 VAL A 81 16.994 9.818 -3.373 1.00 0.00 H new ATOM 0 HG21 VAL A 81 17.220 12.658 -4.558 1.00 0.00 H new ATOM 0 HG22 VAL A 81 18.495 11.427 -4.711 1.00 0.00 H new ATOM 0 HG23 VAL A 81 17.822 12.197 -6.167 1.00 0.00 H new ATOM 1244 N PRO A 82 16.174 7.267 -6.241 1.00 0.00 N ATOM 1245 CA PRO A 82 15.164 6.230 -6.449 1.00 0.00 C ATOM 1246 C PRO A 82 13.837 6.553 -5.769 1.00 0.00 C ATOM 1247 O PRO A 82 13.808 7.153 -4.694 1.00 0.00 O ATOM 1248 CB PRO A 82 15.803 4.996 -5.817 1.00 0.00 C ATOM 1249 CG PRO A 82 17.269 5.199 -5.997 1.00 0.00 C ATOM 1250 CD PRO A 82 17.502 6.689 -5.957 1.00 0.00 C ATOM 0 HA PRO A 82 14.912 6.112 -7.503 1.00 0.00 H new ATOM 0 HB2 PRO A 82 15.541 4.910 -4.762 1.00 0.00 H new ATOM 0 HB3 PRO A 82 15.466 4.081 -6.305 1.00 0.00 H new ATOM 0 HG2 PRO A 82 17.830 4.697 -5.209 1.00 0.00 H new ATOM 0 HG3 PRO A 82 17.606 4.779 -6.945 1.00 0.00 H new ATOM 0 HD2 PRO A 82 17.876 7.008 -4.984 1.00 0.00 H new ATOM 0 HD3 PRO A 82 18.238 6.998 -6.699 1.00 0.00 H new ATOM 1258 N LYS A 83 12.742 6.153 -6.404 1.00 0.00 N ATOM 1259 CA LYS A 83 11.411 6.402 -5.862 1.00 0.00 C ATOM 1260 C LYS A 83 11.019 5.326 -4.858 1.00 0.00 C ATOM 1261 O LYS A 83 11.439 4.174 -4.966 1.00 0.00 O ATOM 1262 CB LYS A 83 10.378 6.469 -6.989 1.00 0.00 C ATOM 1263 CG LYS A 83 10.189 7.866 -7.558 1.00 0.00 C ATOM 1264 CD LYS A 83 8.745 8.109 -7.965 1.00 0.00 C ATOM 1265 CE LYS A 83 8.572 9.475 -8.613 1.00 0.00 C ATOM 1266 NZ LYS A 83 8.587 9.390 -10.100 1.00 0.00 N ATOM 0 H LYS A 83 12.749 5.655 -7.294 1.00 0.00 H new ATOM 0 HA LYS A 83 11.434 7.361 -5.345 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.683 5.797 -7.791 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.421 6.105 -6.616 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.489 8.606 -6.816 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.840 7.999 -8.422 1.00 0.00 H new ATOM 0 HD2 LYS A 83 8.426 7.332 -8.660 1.00 0.00 H new ATOM 0 HD3 LYS A 83 8.101 8.037 -7.088 1.00 0.00 H new ATOM 0 HE2 LYS A 83 7.631 9.916 -8.284 1.00 0.00 H new ATOM 0 HE3 LYS A 83 9.369 10.139 -8.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 8.466 10.341 -10.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 9.495 8.992 -10.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 7.810 8.777 -10.421 1.00 0.00 H new ATOM 1280 N PRO A 84 10.217 5.702 -3.852 1.00 0.00 N ATOM 1281 CA PRO A 84 9.768 4.795 -2.794 1.00 0.00 C ATOM 1282 C PRO A 84 8.720 3.797 -3.278 1.00 0.00 C ATOM 1283 O PRO A 84 8.100 3.992 -4.323 1.00 0.00 O ATOM 1284 CB PRO A 84 9.167 5.740 -1.745 1.00 0.00 C ATOM 1285 CG PRO A 84 9.631 7.095 -2.152 1.00 0.00 C ATOM 1286 CD PRO A 84 9.696 7.052 -3.638 1.00 0.00 C ATOM 0 HA PRO A 84 10.585 4.180 -2.417 1.00 0.00 H new ATOM 0 HB2 PRO A 84 8.079 5.680 -1.734 1.00 0.00 H new ATOM 0 HB3 PRO A 84 9.510 5.488 -0.741 1.00 0.00 H new ATOM 0 HG2 PRO A 84 8.942 7.867 -1.810 1.00 0.00 H new ATOM 0 HG3 PRO A 84 10.606 7.324 -1.721 1.00 0.00 H new ATOM 0 HD2 PRO A 84 8.718 7.195 -4.098 1.00 0.00 H new ATOM 0 HD3 PRO A 84 10.355 7.819 -4.045 1.00 0.00 H new ATOM 1294 N GLN A 85 8.528 2.729 -2.510 1.00 0.00 N ATOM 1295 CA GLN A 85 7.554 1.702 -2.860 1.00 0.00 C ATOM 1296 C GLN A 85 6.136 2.263 -2.817 1.00 0.00 C ATOM 1297 O GLN A 85 5.813 3.098 -1.973 1.00 0.00 O ATOM 1298 CB GLN A 85 7.674 0.509 -1.909 1.00 0.00 C ATOM 1299 CG GLN A 85 8.535 -0.618 -2.452 1.00 0.00 C ATOM 1300 CD GLN A 85 8.716 -1.745 -1.454 1.00 0.00 C ATOM 1301 OE1 GLN A 85 7.849 -2.607 -1.311 1.00 0.00 O ATOM 1302 NE2 GLN A 85 9.847 -1.745 -0.758 1.00 0.00 N ATOM 0 H GLN A 85 9.034 2.553 -1.642 1.00 0.00 H new ATOM 0 HA GLN A 85 7.763 1.368 -3.876 1.00 0.00 H new ATOM 0 HB2 GLN A 85 8.092 0.851 -0.962 1.00 0.00 H new ATOM 0 HB3 GLN A 85 6.677 0.123 -1.696 1.00 0.00 H new ATOM 0 HG2 GLN A 85 8.081 -1.012 -3.361 1.00 0.00 H new ATOM 0 HG3 GLN A 85 9.512 -0.223 -2.729 1.00 0.00 H new ATOM 0 HE21 GLN A 85 10.539 -1.011 -0.909 1.00 0.00 H new ATOM 0 HE22 GLN A 85 10.024 -2.479 -0.073 1.00 0.00 H new ATOM 1311 N ARG A 86 5.294 1.798 -3.733 1.00 0.00 N ATOM 1312 CA ARG A 86 3.910 2.252 -3.799 1.00 0.00 C ATOM 1313 C ARG A 86 2.984 1.118 -4.231 1.00 0.00 C ATOM 1314 O ARG A 86 3.135 0.562 -5.318 1.00 0.00 O ATOM 1315 CB ARG A 86 3.784 3.425 -4.774 1.00 0.00 C ATOM 1316 CG ARG A 86 3.993 4.781 -4.121 1.00 0.00 C ATOM 1317 CD ARG A 86 4.407 5.831 -5.139 1.00 0.00 C ATOM 1318 NE ARG A 86 3.305 6.201 -6.024 1.00 0.00 N ATOM 1319 CZ ARG A 86 3.398 7.121 -6.980 1.00 0.00 C ATOM 1320 NH1 ARG A 86 4.540 7.765 -7.181 1.00 0.00 N ATOM 1321 NH2 ARG A 86 2.347 7.397 -7.740 1.00 0.00 N ATOM 0 H ARG A 86 5.546 1.107 -4.440 1.00 0.00 H new ATOM 0 HA ARG A 86 3.614 2.580 -2.803 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.512 3.301 -5.576 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.796 3.400 -5.234 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.073 5.094 -3.627 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.758 4.700 -3.348 1.00 0.00 H new ATOM 0 HD2 ARG A 86 4.767 6.718 -4.618 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.238 5.451 -5.734 1.00 0.00 H new ATOM 0 HE ARG A 86 2.411 5.725 -5.901 1.00 0.00 H new ATOM 0 HH11 ARG A 86 5.352 7.556 -6.601 1.00 0.00 H new ATOM 0 HH12 ARG A 86 4.606 8.470 -7.916 1.00 0.00 H new ATOM 0 HH21 ARG A 86 1.467 6.904 -7.592 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.419 8.103 -8.473 1.00 0.00 H new ATOM 1335 N HIS A 87 2.025 0.781 -3.372 1.00 0.00 N ATOM 1336 CA HIS A 87 1.075 -0.285 -3.669 1.00 0.00 C ATOM 1337 C HIS A 87 -0.302 0.294 -3.980 1.00 0.00 C ATOM 1338 O HIS A 87 -0.605 1.426 -3.608 1.00 0.00 O ATOM 1339 CB HIS A 87 0.977 -1.256 -2.490 1.00 0.00 C ATOM 1340 CG HIS A 87 2.307 -1.753 -2.013 1.00 0.00 C ATOM 1341 ND1 HIS A 87 2.897 -2.904 -2.492 1.00 0.00 N ATOM 1342 CD2 HIS A 87 3.163 -1.249 -1.093 1.00 0.00 C ATOM 1343 CE1 HIS A 87 4.058 -3.086 -1.887 1.00 0.00 C ATOM 1344 NE2 HIS A 87 4.242 -2.096 -1.034 1.00 0.00 N ATOM 0 H HIS A 87 1.886 1.230 -2.467 1.00 0.00 H new ATOM 0 HA HIS A 87 1.433 -0.826 -4.545 1.00 0.00 H new ATOM 0 HB2 HIS A 87 0.465 -0.762 -1.664 1.00 0.00 H new ATOM 0 HB3 HIS A 87 0.363 -2.108 -2.781 1.00 0.00 H new ATOM 0 HD2 HIS A 87 3.023 -0.348 -0.513 1.00 0.00 H new ATOM 0 HE1 HIS A 87 4.740 -3.905 -2.061 1.00 0.00 H new ATOM 0 HE2 HIS A 87 5.055 -1.979 -0.429 1.00 0.00 H new ATOM 1353 N MET A 88 -1.131 -0.483 -4.668 1.00 0.00 N ATOM 1354 CA MET A 88 -2.471 -0.030 -5.027 1.00 0.00 C ATOM 1355 C MET A 88 -3.525 -1.069 -4.660 1.00 0.00 C ATOM 1356 O MET A 88 -3.384 -2.253 -4.969 1.00 0.00 O ATOM 1357 CB MET A 88 -2.540 0.278 -6.524 1.00 0.00 C ATOM 1358 CG MET A 88 -3.898 0.790 -6.977 1.00 0.00 C ATOM 1359 SD MET A 88 -4.003 0.989 -8.766 1.00 0.00 S ATOM 1360 CE MET A 88 -5.667 1.626 -8.939 1.00 0.00 C ATOM 0 H MET A 88 -0.901 -1.424 -4.987 1.00 0.00 H new ATOM 0 HA MET A 88 -2.680 0.878 -4.462 1.00 0.00 H new ATOM 0 HB2 MET A 88 -1.781 1.020 -6.769 1.00 0.00 H new ATOM 0 HB3 MET A 88 -2.296 -0.625 -7.084 1.00 0.00 H new ATOM 0 HG2 MET A 88 -4.672 0.097 -6.646 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.100 1.747 -6.496 1.00 0.00 H new ATOM 0 HE1 MET A 88 -6.019 1.454 -9.956 1.00 0.00 H new ATOM 0 HE2 MET A 88 -6.326 1.117 -8.236 1.00 0.00 H new ATOM 0 HE3 MET A 88 -5.671 2.696 -8.730 1.00 0.00 H new ATOM 1370 N PHE A 89 -4.587 -0.611 -4.006 1.00 0.00 N ATOM 1371 CA PHE A 89 -5.678 -1.489 -3.597 1.00 0.00 C ATOM 1372 C PHE A 89 -7.024 -0.813 -3.835 1.00 0.00 C ATOM 1373 O PHE A 89 -7.148 0.406 -3.705 1.00 0.00 O ATOM 1374 CB PHE A 89 -5.535 -1.865 -2.121 1.00 0.00 C ATOM 1375 CG PHE A 89 -4.378 -2.783 -1.844 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -3.126 -2.270 -1.542 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -4.543 -4.158 -1.884 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -2.061 -3.112 -1.286 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -3.481 -5.004 -1.629 1.00 0.00 C ATOM 1380 CZ PHE A 89 -2.239 -4.480 -1.329 1.00 0.00 C ATOM 0 H PHE A 89 -4.716 0.367 -3.747 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.631 -2.397 -4.198 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.415 -0.955 -1.533 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.456 -2.343 -1.785 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.982 -1.200 -1.506 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.512 -4.573 -2.117 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.090 -2.700 -1.052 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.622 -6.074 -1.664 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.408 -5.140 -1.128 1.00 0.00 H new ATOM 1390 N SER A 90 -8.032 -1.605 -4.188 1.00 0.00 N ATOM 1391 CA SER A 90 -9.365 -1.072 -4.444 1.00 0.00 C ATOM 1392 C SER A 90 -10.389 -1.667 -3.481 1.00 0.00 C ATOM 1393 O SER A 90 -10.414 -2.876 -3.256 1.00 0.00 O ATOM 1394 CB SER A 90 -9.781 -1.348 -5.891 1.00 0.00 C ATOM 1395 OG SER A 90 -8.711 -1.909 -6.634 1.00 0.00 O ATOM 0 H SER A 90 -7.951 -2.615 -4.303 1.00 0.00 H new ATOM 0 HA SER A 90 -9.332 0.006 -4.284 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.632 -2.029 -5.904 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.107 -0.421 -6.362 1.00 0.00 H new ATOM 0 HG SER A 90 -9.004 -2.077 -7.554 1.00 0.00 H new ATOM 1401 N PHE A 91 -11.228 -0.809 -2.914 1.00 0.00 N ATOM 1402 CA PHE A 91 -12.254 -1.248 -1.974 1.00 0.00 C ATOM 1403 C PHE A 91 -13.624 -0.730 -2.396 1.00 0.00 C ATOM 1404 O PHE A 91 -13.726 0.251 -3.131 1.00 0.00 O ATOM 1405 CB PHE A 91 -11.927 -0.759 -0.561 1.00 0.00 C ATOM 1406 CG PHE A 91 -10.500 -0.999 -0.149 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -9.459 -0.353 -0.798 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -10.200 -1.869 0.888 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -8.148 -0.570 -0.420 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -8.888 -2.090 1.270 1.00 0.00 C ATOM 1411 CZ PHE A 91 -7.862 -1.439 0.614 1.00 0.00 C ATOM 0 H PHE A 91 -11.219 0.196 -3.088 1.00 0.00 H new ATOM 0 HA PHE A 91 -12.274 -2.338 -1.976 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -12.139 0.308 -0.498 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -12.588 -1.257 0.148 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -9.675 0.328 -1.608 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -10.999 -2.380 1.404 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -7.347 -0.060 -0.934 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.667 -2.770 2.079 1.00 0.00 H new ATOM 0 HZ PHE A 91 -6.837 -1.609 0.909 1.00 0.00 H new ATOM 1421 N ASN A 92 -14.677 -1.389 -1.925 1.00 0.00 N ATOM 1422 CA ASN A 92 -16.039 -0.982 -2.255 1.00 0.00 C ATOM 1423 C ASN A 92 -16.790 -0.529 -1.007 1.00 0.00 C ATOM 1424 O ASN A 92 -18.018 -0.591 -0.955 1.00 0.00 O ATOM 1425 CB ASN A 92 -16.794 -2.125 -2.923 1.00 0.00 C ATOM 1426 CG ASN A 92 -16.028 -2.728 -4.085 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -15.444 -2.009 -4.897 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -16.026 -4.053 -4.171 1.00 0.00 N ATOM 0 H ASN A 92 -14.615 -2.205 -1.316 1.00 0.00 H new ATOM 0 HA ASN A 92 -15.977 -0.144 -2.949 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -16.998 -2.901 -2.185 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -17.758 -1.761 -3.278 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -15.527 -4.514 -4.932 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -16.523 -4.610 -3.476 1.00 0.00 H new ATOM 1435 N ASN A 93 -16.045 -0.073 -0.008 1.00 0.00 N ATOM 1436 CA ASN A 93 -16.638 0.395 1.238 1.00 0.00 C ATOM 1437 C ASN A 93 -15.696 1.357 1.948 1.00 0.00 C ATOM 1438 O ASN A 93 -14.667 0.949 2.485 1.00 0.00 O ATOM 1439 CB ASN A 93 -16.962 -0.789 2.150 1.00 0.00 C ATOM 1440 CG ASN A 93 -17.862 -0.400 3.306 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -18.233 0.765 3.453 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -18.221 -1.376 4.131 1.00 0.00 N ATOM 0 H ASN A 93 -15.027 -0.017 -0.037 1.00 0.00 H new ATOM 0 HA ASN A 93 -17.563 0.922 1.002 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -17.444 -1.573 1.566 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -16.034 -1.208 2.540 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -18.828 -1.175 4.925 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -17.890 -2.327 3.971 1.00 0.00 H new ATOM 1449 N ARG A 94 -16.051 2.640 1.943 1.00 0.00 N ATOM 1450 CA ARG A 94 -15.234 3.667 2.582 1.00 0.00 C ATOM 1451 C ARG A 94 -14.800 3.239 3.979 1.00 0.00 C ATOM 1452 O ARG A 94 -13.741 3.636 4.463 1.00 0.00 O ATOM 1453 CB ARG A 94 -16.003 4.987 2.657 1.00 0.00 C ATOM 1454 CG ARG A 94 -15.115 6.195 2.905 1.00 0.00 C ATOM 1455 CD ARG A 94 -14.774 6.913 1.609 1.00 0.00 C ATOM 1456 NE ARG A 94 -15.969 7.246 0.837 1.00 0.00 N ATOM 1457 CZ ARG A 94 -15.956 7.545 -0.459 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -14.811 7.556 -1.133 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -17.087 7.836 -1.086 1.00 0.00 N ATOM 0 H ARG A 94 -16.901 2.993 1.503 1.00 0.00 H new ATOM 0 HA ARG A 94 -14.340 3.807 1.975 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -16.549 5.133 1.725 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -16.744 4.921 3.454 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -15.619 6.885 3.582 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -14.196 5.877 3.398 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -14.222 7.826 1.834 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -14.118 6.284 1.008 1.00 0.00 H new ATOM 0 HE ARG A 94 -16.867 7.249 1.321 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -13.937 7.334 -0.657 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -14.806 7.786 -2.127 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -17.970 7.831 -0.575 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -17.075 8.065 -2.080 1.00 0.00 H new ATOM 1473 N THR A 95 -15.631 2.431 4.619 1.00 0.00 N ATOM 1474 CA THR A 95 -15.361 1.945 5.950 1.00 0.00 C ATOM 1475 C THR A 95 -14.260 0.889 5.948 1.00 0.00 C ATOM 1476 O THR A 95 -13.271 1.010 6.669 1.00 0.00 O ATOM 1477 CB THR A 95 -16.644 1.370 6.522 1.00 0.00 C ATOM 1478 OG1 THR A 95 -17.767 1.794 5.769 1.00 0.00 O ATOM 1479 CG2 THR A 95 -16.884 1.766 7.954 1.00 0.00 C ATOM 0 H THR A 95 -16.510 2.097 4.224 1.00 0.00 H new ATOM 0 HA THR A 95 -15.011 2.773 6.567 1.00 0.00 H new ATOM 0 HB THR A 95 -16.521 0.288 6.472 1.00 0.00 H new ATOM 0 HG1 THR A 95 -18.023 1.089 5.138 1.00 0.00 H new ATOM 0 HG21 THR A 95 -17.817 1.323 8.303 1.00 0.00 H new ATOM 0 HG22 THR A 95 -16.060 1.411 8.573 1.00 0.00 H new ATOM 0 HG23 THR A 95 -16.950 2.852 8.025 1.00 0.00 H new ATOM 1487 N VAL A 96 -14.437 -0.149 5.134 1.00 0.00 N ATOM 1488 CA VAL A 96 -13.452 -1.222 5.045 1.00 0.00 C ATOM 1489 C VAL A 96 -12.066 -0.662 4.747 1.00 0.00 C ATOM 1490 O VAL A 96 -11.094 -0.989 5.429 1.00 0.00 O ATOM 1491 CB VAL A 96 -13.830 -2.253 3.963 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -12.798 -3.371 3.899 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -15.218 -2.816 4.226 1.00 0.00 C ATOM 0 H VAL A 96 -15.250 -0.269 4.529 1.00 0.00 H new ATOM 0 HA VAL A 96 -13.439 -1.724 6.012 1.00 0.00 H new ATOM 0 HB VAL A 96 -13.842 -1.748 2.997 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -13.085 -4.087 3.129 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -11.821 -2.951 3.659 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -12.748 -3.876 4.864 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -15.469 -3.542 3.453 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -15.234 -3.304 5.201 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -15.947 -2.006 4.213 1.00 0.00 H new ATOM 1503 N MET A 97 -11.982 0.194 3.735 1.00 0.00 N ATOM 1504 CA MET A 97 -10.713 0.803 3.367 1.00 0.00 C ATOM 1505 C MET A 97 -10.207 1.682 4.502 1.00 0.00 C ATOM 1506 O MET A 97 -9.007 1.742 4.771 1.00 0.00 O ATOM 1507 CB MET A 97 -10.858 1.628 2.088 1.00 0.00 C ATOM 1508 CG MET A 97 -11.928 2.703 2.168 1.00 0.00 C ATOM 1509 SD MET A 97 -12.089 3.630 0.630 1.00 0.00 S ATOM 1510 CE MET A 97 -10.851 4.900 0.872 1.00 0.00 C ATOM 0 H MET A 97 -12.774 0.480 3.159 1.00 0.00 H new ATOM 0 HA MET A 97 -9.991 0.008 3.183 1.00 0.00 H new ATOM 0 HB2 MET A 97 -9.901 2.098 1.860 1.00 0.00 H new ATOM 0 HB3 MET A 97 -11.090 0.959 1.260 1.00 0.00 H new ATOM 0 HG2 MET A 97 -12.885 2.242 2.413 1.00 0.00 H new ATOM 0 HG3 MET A 97 -11.689 3.390 2.980 1.00 0.00 H new ATOM 0 HE1 MET A 97 -11.341 5.856 1.054 1.00 0.00 H new ATOM 0 HE2 MET A 97 -10.228 4.643 1.729 1.00 0.00 H new ATOM 0 HE3 MET A 97 -10.228 4.976 -0.019 1.00 0.00 H new ATOM 1520 N ASP A 98 -11.134 2.360 5.171 1.00 0.00 N ATOM 1521 CA ASP A 98 -10.785 3.229 6.286 1.00 0.00 C ATOM 1522 C ASP A 98 -10.244 2.411 7.451 1.00 0.00 C ATOM 1523 O ASP A 98 -9.393 2.874 8.209 1.00 0.00 O ATOM 1524 CB ASP A 98 -12.001 4.044 6.733 1.00 0.00 C ATOM 1525 CG ASP A 98 -11.673 5.004 7.859 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -10.480 5.330 8.033 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -12.610 5.431 8.566 1.00 0.00 O ATOM 0 H ASP A 98 -12.131 2.324 4.960 1.00 0.00 H new ATOM 0 HA ASP A 98 -10.008 3.917 5.953 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -12.391 4.605 5.884 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -12.790 3.365 7.056 1.00 0.00 H new ATOM 1532 N ASN A 99 -10.736 1.185 7.578 1.00 0.00 N ATOM 1533 CA ASN A 99 -10.290 0.295 8.643 1.00 0.00 C ATOM 1534 C ASN A 99 -8.838 -0.106 8.411 1.00 0.00 C ATOM 1535 O ASN A 99 -8.042 -0.163 9.347 1.00 0.00 O ATOM 1536 CB ASN A 99 -11.175 -0.952 8.709 1.00 0.00 C ATOM 1537 CG ASN A 99 -12.626 -0.615 8.989 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -13.535 -1.426 8.461 1.00 0.00 O flip ATOM 1539 ND2 ASN A 99 -12.928 0.362 9.675 1.00 0.00 N flip ATOM 0 H ASN A 99 -11.441 0.785 6.959 1.00 0.00 H new ATOM 0 HA ASN A 99 -10.368 0.824 9.593 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -11.106 -1.494 7.766 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -10.803 -1.618 9.487 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -12.197 0.959 10.062 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -13.909 0.574 9.857 1.00 0.00 H new ATOM 1546 N ILE A 100 -8.504 -0.367 7.153 1.00 0.00 N ATOM 1547 CA ILE A 100 -7.147 -0.747 6.782 1.00 0.00 C ATOM 1548 C ILE A 100 -6.189 0.413 7.012 1.00 0.00 C ATOM 1549 O ILE A 100 -5.144 0.258 7.643 1.00 0.00 O ATOM 1550 CB ILE A 100 -7.073 -1.179 5.303 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -8.104 -2.271 5.015 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -5.673 -1.662 4.952 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -7.796 -3.589 5.692 1.00 0.00 C ATOM 0 H ILE A 100 -9.157 -0.322 6.371 1.00 0.00 H new ATOM 0 HA ILE A 100 -6.859 -1.590 7.410 1.00 0.00 H new ATOM 0 HB ILE A 100 -7.301 -0.313 4.681 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.086 -1.926 5.339 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.161 -2.430 3.938 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.643 -1.962 3.904 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -4.958 -0.857 5.119 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -5.414 -2.514 5.581 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -8.569 -4.316 5.443 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -6.829 -3.957 5.349 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.768 -3.445 6.772 1.00 0.00 H new ATOM 1565 N LYS A 101 -6.563 1.580 6.501 1.00 0.00 N ATOM 1566 CA LYS A 101 -5.749 2.779 6.653 1.00 0.00 C ATOM 1567 C LYS A 101 -5.685 3.198 8.119 1.00 0.00 C ATOM 1568 O LYS A 101 -4.721 3.823 8.560 1.00 0.00 O ATOM 1569 CB LYS A 101 -6.308 3.918 5.788 1.00 0.00 C ATOM 1570 CG LYS A 101 -7.433 4.706 6.442 1.00 0.00 C ATOM 1571 CD LYS A 101 -8.025 5.728 5.485 1.00 0.00 C ATOM 1572 CE LYS A 101 -8.701 6.868 6.230 1.00 0.00 C ATOM 1573 NZ LYS A 101 -10.051 7.168 5.681 1.00 0.00 N ATOM 0 H LYS A 101 -7.427 1.721 5.977 1.00 0.00 H new ATOM 0 HA LYS A 101 -4.737 2.557 6.316 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -5.497 4.603 5.541 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -6.671 3.501 4.849 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -8.214 4.021 6.774 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -7.055 5.213 7.330 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -7.238 6.127 4.846 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -8.749 5.240 4.832 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -8.788 6.611 7.286 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -8.078 7.761 6.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -10.484 7.940 6.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -9.965 7.455 4.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -10.649 6.319 5.746 1.00 0.00 H new ATOM 1587 N MET A 102 -6.724 2.843 8.866 1.00 0.00 N ATOM 1588 CA MET A 102 -6.801 3.173 10.283 1.00 0.00 C ATOM 1589 C MET A 102 -5.936 2.226 11.099 1.00 0.00 C ATOM 1590 O MET A 102 -5.262 2.640 12.041 1.00 0.00 O ATOM 1591 CB MET A 102 -8.250 3.107 10.768 1.00 0.00 C ATOM 1592 CG MET A 102 -9.042 4.377 10.495 1.00 0.00 C ATOM 1593 SD MET A 102 -10.807 4.172 10.801 1.00 0.00 S ATOM 1594 CE MET A 102 -10.800 3.713 12.532 1.00 0.00 C ATOM 0 H MET A 102 -7.528 2.324 8.511 1.00 0.00 H new ATOM 0 HA MET A 102 -6.430 4.189 10.418 1.00 0.00 H new ATOM 0 HB2 MET A 102 -8.748 2.267 10.284 1.00 0.00 H new ATOM 0 HB3 MET A 102 -8.257 2.908 11.840 1.00 0.00 H new ATOM 0 HG2 MET A 102 -8.659 5.182 11.123 1.00 0.00 H new ATOM 0 HG3 MET A 102 -8.889 4.681 9.459 1.00 0.00 H new ATOM 0 HE1 MET A 102 -11.813 3.776 12.929 1.00 0.00 H new ATOM 0 HE2 MET A 102 -10.432 2.692 12.636 1.00 0.00 H new ATOM 0 HE3 MET A 102 -10.150 4.391 13.086 1.00 0.00 H new ATOM 1604 N THR A 103 -5.957 0.951 10.727 1.00 0.00 N ATOM 1605 CA THR A 103 -5.169 -0.052 11.423 1.00 0.00 C ATOM 1606 C THR A 103 -3.711 0.006 10.973 1.00 0.00 C ATOM 1607 O THR A 103 -2.796 -0.177 11.776 1.00 0.00 O ATOM 1608 CB THR A 103 -5.768 -1.439 11.182 1.00 0.00 C ATOM 1609 OG1 THR A 103 -6.318 -1.961 12.379 1.00 0.00 O ATOM 1610 CG2 THR A 103 -4.767 -2.435 10.667 1.00 0.00 C ATOM 0 H THR A 103 -6.510 0.591 9.949 1.00 0.00 H new ATOM 0 HA THR A 103 -5.193 0.153 12.493 1.00 0.00 H new ATOM 0 HB THR A 103 -6.538 -1.296 10.424 1.00 0.00 H new ATOM 0 HG1 THR A 103 -7.143 -2.448 12.175 1.00 0.00 H new ATOM 0 HG21 THR A 103 -5.256 -3.398 10.517 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.359 -2.084 9.719 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.960 -2.547 11.391 1.00 0.00 H new ATOM 1618 N LEU A 104 -3.502 0.267 9.687 1.00 0.00 N ATOM 1619 CA LEU A 104 -2.157 0.355 9.136 1.00 0.00 C ATOM 1620 C LEU A 104 -1.375 1.484 9.797 1.00 0.00 C ATOM 1621 O LEU A 104 -0.184 1.345 10.078 1.00 0.00 O ATOM 1622 CB LEU A 104 -2.215 0.572 7.623 1.00 0.00 C ATOM 1623 CG LEU A 104 -2.251 -0.707 6.787 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -2.629 -0.393 5.348 1.00 0.00 C ATOM 1625 CD2 LEU A 104 -0.907 -1.415 6.847 1.00 0.00 C ATOM 0 H LEU A 104 -4.247 0.421 9.008 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.644 -0.585 9.339 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.099 1.165 7.390 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.348 1.160 7.322 1.00 0.00 H new ATOM 0 HG LEU A 104 -3.009 -1.372 7.201 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.650 -1.315 4.768 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.614 0.073 5.324 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.895 0.289 4.919 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -0.948 -2.324 6.247 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -0.131 -0.757 6.456 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.677 -1.673 7.881 1.00 0.00 H new ATOM 1637 N GLN A 105 -2.052 2.600 10.044 1.00 0.00 N ATOM 1638 CA GLN A 105 -1.420 3.752 10.675 1.00 0.00 C ATOM 1639 C GLN A 105 -0.919 3.400 12.070 1.00 0.00 C ATOM 1640 O GLN A 105 0.057 3.974 12.556 1.00 0.00 O ATOM 1641 CB GLN A 105 -2.400 4.926 10.746 1.00 0.00 C ATOM 1642 CG GLN A 105 -1.970 6.128 9.922 1.00 0.00 C ATOM 1643 CD GLN A 105 -2.985 7.255 9.961 1.00 0.00 C ATOM 1644 OE1 GLN A 105 -3.098 7.969 10.956 1.00 0.00 O ATOM 1645 NE2 GLN A 105 -3.728 7.418 8.872 1.00 0.00 N ATOM 0 H GLN A 105 -3.038 2.731 9.817 1.00 0.00 H new ATOM 0 HA GLN A 105 -0.564 4.044 10.067 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -3.379 4.592 10.403 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -2.514 5.231 11.786 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -1.012 6.494 10.292 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -1.815 5.819 8.888 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -3.599 6.801 8.070 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -4.427 8.160 8.838 1.00 0.00 H new ATOM 1654 N GLN A 106 -1.591 2.452 12.706 1.00 0.00 N ATOM 1655 CA GLN A 106 -1.216 2.017 14.046 1.00 0.00 C ATOM 1656 C GLN A 106 0.110 1.264 14.020 1.00 0.00 C ATOM 1657 O GLN A 106 0.898 1.340 14.963 1.00 0.00 O ATOM 1658 CB GLN A 106 -2.309 1.127 14.641 1.00 0.00 C ATOM 1659 CG GLN A 106 -3.647 1.831 14.798 1.00 0.00 C ATOM 1660 CD GLN A 106 -3.562 3.050 15.696 1.00 0.00 C ATOM 1661 OE1 GLN A 106 -3.024 2.985 16.802 1.00 0.00 O ATOM 1662 NE2 GLN A 106 -4.095 4.170 15.226 1.00 0.00 N ATOM 0 H GLN A 106 -2.400 1.968 12.316 1.00 0.00 H new ATOM 0 HA GLN A 106 -1.099 2.903 14.670 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -2.440 0.252 14.004 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -1.981 0.765 15.616 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -4.012 2.132 13.816 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -4.375 1.132 15.209 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -4.531 4.180 14.304 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -4.069 5.022 15.787 1.00 0.00 H new ATOM 1671 N ILE A 107 0.350 0.534 12.935 1.00 0.00 N ATOM 1672 CA ILE A 107 1.580 -0.237 12.788 1.00 0.00 C ATOM 1673 C ILE A 107 2.776 0.672 12.530 1.00 0.00 C ATOM 1674 O ILE A 107 3.835 0.499 13.134 1.00 0.00 O ATOM 1675 CB ILE A 107 1.459 -1.272 11.650 1.00 0.00 C ATOM 1676 CG1 ILE A 107 0.289 -2.221 11.919 1.00 0.00 C ATOM 1677 CG2 ILE A 107 2.757 -2.052 11.496 1.00 0.00 C ATOM 1678 CD1 ILE A 107 -0.644 -2.380 10.739 1.00 0.00 C ATOM 0 H ILE A 107 -0.291 0.460 12.145 1.00 0.00 H new ATOM 0 HA ILE A 107 1.739 -0.766 13.727 1.00 0.00 H new ATOM 0 HB ILE A 107 1.268 -0.742 10.717 1.00 0.00 H new ATOM 0 HG12 ILE A 107 0.682 -3.199 12.196 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -0.278 -1.852 12.773 1.00 0.00 H new ATOM 0 HG21 ILE A 107 2.652 -2.777 10.689 1.00 0.00 H new ATOM 0 HG22 ILE A 107 3.569 -1.364 11.263 1.00 0.00 H new ATOM 0 HG23 ILE A 107 2.980 -2.575 12.426 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -1.449 -3.066 11.002 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -1.066 -1.410 10.475 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -0.091 -2.778 9.889 1.00 0.00 H new ATOM 1690 N ILE A 108 2.603 1.649 11.645 1.00 0.00 N ATOM 1691 CA ILE A 108 3.682 2.583 11.340 1.00 0.00 C ATOM 1692 C ILE A 108 4.105 3.294 12.604 1.00 0.00 C ATOM 1693 O ILE A 108 5.244 3.191 13.054 1.00 0.00 O ATOM 1694 CB ILE A 108 3.269 3.662 10.317 1.00 0.00 C ATOM 1695 CG1 ILE A 108 2.374 3.081 9.226 1.00 0.00 C ATOM 1696 CG2 ILE A 108 4.503 4.310 9.709 1.00 0.00 C ATOM 1697 CD1 ILE A 108 1.437 4.106 8.629 1.00 0.00 C ATOM 0 H ILE A 108 1.737 1.814 11.132 1.00 0.00 H new ATOM 0 HA ILE A 108 4.493 1.992 10.913 1.00 0.00 H new ATOM 0 HB ILE A 108 2.695 4.424 10.844 1.00 0.00 H new ATOM 0 HG12 ILE A 108 2.997 2.662 8.436 1.00 0.00 H new ATOM 0 HG13 ILE A 108 1.790 2.260 9.641 1.00 0.00 H new ATOM 0 HG21 ILE A 108 4.198 5.069 8.989 1.00 0.00 H new ATOM 0 HG22 ILE A 108 5.096 4.775 10.497 1.00 0.00 H new ATOM 0 HG23 ILE A 108 5.101 3.551 9.205 1.00 0.00 H new ATOM 0 HD11 ILE A 108 0.826 3.635 7.859 1.00 0.00 H new ATOM 0 HD12 ILE A 108 0.791 4.507 9.410 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.017 4.916 8.187 1.00 0.00 H new ATOM 1709 N SER A 109 3.150 4.008 13.167 1.00 0.00 N ATOM 1710 CA SER A 109 3.369 4.755 14.400 1.00 0.00 C ATOM 1711 C SER A 109 3.990 3.867 15.472 1.00 0.00 C ATOM 1712 O SER A 109 4.722 4.343 16.340 1.00 0.00 O ATOM 1713 CB SER A 109 2.051 5.344 14.907 1.00 0.00 C ATOM 1714 OG SER A 109 2.270 6.208 16.010 1.00 0.00 O ATOM 0 H SER A 109 2.206 4.090 12.790 1.00 0.00 H new ATOM 0 HA SER A 109 4.061 5.569 14.183 1.00 0.00 H new ATOM 0 HB2 SER A 109 1.561 5.893 14.103 1.00 0.00 H new ATOM 0 HB3 SER A 109 1.378 4.538 15.200 1.00 0.00 H new ATOM 0 HG SER A 109 1.413 6.573 16.315 1.00 0.00 H new ATOM 1720 N ARG A 110 3.698 2.574 15.401 1.00 0.00 N ATOM 1721 CA ARG A 110 4.234 1.617 16.364 1.00 0.00 C ATOM 1722 C ARG A 110 5.729 1.421 16.155 1.00 0.00 C ATOM 1723 O ARG A 110 6.480 1.205 17.105 1.00 0.00 O ATOM 1724 CB ARG A 110 3.510 0.276 16.245 1.00 0.00 C ATOM 1725 CG ARG A 110 2.335 0.131 17.200 1.00 0.00 C ATOM 1726 CD ARG A 110 1.627 -1.200 17.011 1.00 0.00 C ATOM 1727 NE ARG A 110 0.453 -1.321 17.873 1.00 0.00 N ATOM 1728 CZ ARG A 110 -0.133 -2.480 18.171 1.00 0.00 C ATOM 1729 NH1 ARG A 110 0.343 -3.617 17.677 1.00 0.00 N ATOM 1730 NH2 ARG A 110 -1.195 -2.502 18.961 1.00 0.00 N ATOM 0 H ARG A 110 3.094 2.164 14.689 1.00 0.00 H new ATOM 0 HA ARG A 110 4.072 2.018 17.365 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.153 0.155 15.222 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.221 -0.529 16.432 1.00 0.00 H new ATOM 0 HG2 ARG A 110 2.688 0.214 18.228 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.630 0.946 17.038 1.00 0.00 H new ATOM 0 HD2 ARG A 110 1.325 -1.305 15.969 1.00 0.00 H new ATOM 0 HD3 ARG A 110 2.320 -2.013 17.226 1.00 0.00 H new ATOM 0 HE ARG A 110 0.059 -0.468 18.270 1.00 0.00 H new ATOM 0 HH11 ARG A 110 1.160 -3.605 17.067 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -0.109 -4.502 17.908 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -1.565 -1.631 19.342 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -1.643 -3.390 19.189 1.00 0.00 H new ATOM 1744 N TYR A 111 6.150 1.500 14.902 1.00 0.00 N ATOM 1745 CA TYR A 111 7.555 1.336 14.553 1.00 0.00 C ATOM 1746 C TYR A 111 8.270 2.683 14.523 1.00 0.00 C ATOM 1747 O TYR A 111 9.440 2.785 14.893 1.00 0.00 O ATOM 1748 CB TYR A 111 7.689 0.643 13.196 1.00 0.00 C ATOM 1749 CG TYR A 111 7.000 -0.703 13.127 1.00 0.00 C ATOM 1750 CD1 TYR A 111 7.011 -1.566 14.217 1.00 0.00 C ATOM 1751 CD2 TYR A 111 6.341 -1.109 11.975 1.00 0.00 C ATOM 1752 CE1 TYR A 111 6.383 -2.796 14.158 1.00 0.00 C ATOM 1753 CE2 TYR A 111 5.709 -2.337 11.909 1.00 0.00 C ATOM 1754 CZ TYR A 111 5.734 -3.176 13.003 1.00 0.00 C ATOM 1755 OH TYR A 111 5.107 -4.400 12.940 1.00 0.00 O ATOM 0 H TYR A 111 5.537 1.677 14.106 1.00 0.00 H new ATOM 0 HA TYR A 111 8.022 0.715 15.317 1.00 0.00 H new ATOM 0 HB2 TYR A 111 7.275 1.292 12.424 1.00 0.00 H new ATOM 0 HB3 TYR A 111 8.747 0.511 12.969 1.00 0.00 H new ATOM 0 HD1 TYR A 111 7.518 -1.271 15.124 1.00 0.00 H new ATOM 0 HD2 TYR A 111 6.322 -0.455 11.116 1.00 0.00 H new ATOM 0 HE1 TYR A 111 6.401 -3.456 15.013 1.00 0.00 H new ATOM 0 HE2 TYR A 111 5.199 -2.637 11.006 1.00 0.00 H new ATOM 0 HH TYR A 111 4.235 -4.344 13.384 1.00 0.00 H new ATOM 1765 N LYS A 112 7.557 3.715 14.086 1.00 0.00 N ATOM 1766 CA LYS A 112 8.121 5.057 14.012 1.00 0.00 C ATOM 1767 C LYS A 112 8.484 5.568 15.403 1.00 0.00 C ATOM 1768 O LYS A 112 9.523 6.200 15.592 1.00 0.00 O ATOM 1769 CB LYS A 112 7.129 6.013 13.342 1.00 0.00 C ATOM 1770 CG LYS A 112 7.571 6.475 11.962 1.00 0.00 C ATOM 1771 CD LYS A 112 6.580 6.060 10.888 1.00 0.00 C ATOM 1772 CE LYS A 112 6.386 7.157 9.854 1.00 0.00 C ATOM 1773 NZ LYS A 112 6.168 6.601 8.489 1.00 0.00 N ATOM 0 H LYS A 112 6.587 3.648 13.778 1.00 0.00 H new ATOM 0 HA LYS A 112 9.030 5.013 13.413 1.00 0.00 H new ATOM 0 HB2 LYS A 112 6.161 5.520 13.259 1.00 0.00 H new ATOM 0 HB3 LYS A 112 6.989 6.885 13.981 1.00 0.00 H new ATOM 0 HG2 LYS A 112 7.679 7.560 11.958 1.00 0.00 H new ATOM 0 HG3 LYS A 112 8.551 6.056 11.734 1.00 0.00 H new ATOM 0 HD2 LYS A 112 6.933 5.154 10.396 1.00 0.00 H new ATOM 0 HD3 LYS A 112 5.622 5.820 11.349 1.00 0.00 H new ATOM 0 HE2 LYS A 112 5.533 7.774 10.135 1.00 0.00 H new ATOM 0 HE3 LYS A 112 7.261 7.807 9.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 6.896 6.969 7.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 6.228 5.563 8.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 5.227 6.882 8.146 1.00 0.00 H new ATOM 1787 N ASP A 113 7.619 5.288 16.372 1.00 0.00 N ATOM 1788 CA ASP A 113 7.846 5.716 17.748 1.00 0.00 C ATOM 1789 C ASP A 113 9.136 5.120 18.296 1.00 0.00 C ATOM 1790 O ASP A 113 9.863 5.770 19.048 1.00 0.00 O ATOM 1791 CB ASP A 113 6.664 5.308 18.631 1.00 0.00 C ATOM 1792 CG ASP A 113 5.411 6.105 18.328 1.00 0.00 C ATOM 1793 OD1 ASP A 113 5.516 7.138 17.632 1.00 0.00 O ATOM 1794 OD2 ASP A 113 4.323 5.698 18.786 1.00 0.00 O ATOM 0 H ASP A 113 6.754 4.766 16.230 1.00 0.00 H new ATOM 0 HA ASP A 113 7.938 6.802 17.756 1.00 0.00 H new ATOM 0 HB2 ASP A 113 6.459 4.247 18.490 1.00 0.00 H new ATOM 0 HB3 ASP A 113 6.933 5.444 19.678 1.00 0.00 H new ATOM 1799 N ALA A 114 9.418 3.877 17.917 1.00 0.00 N ATOM 1800 CA ALA A 114 10.621 3.193 18.372 1.00 0.00 C ATOM 1801 C ALA A 114 11.876 3.911 17.888 1.00 0.00 C ATOM 1802 O ALA A 114 12.900 3.921 18.571 1.00 0.00 O ATOM 1803 CB ALA A 114 10.618 1.750 17.892 1.00 0.00 C ATOM 0 H ALA A 114 8.828 3.324 17.295 1.00 0.00 H new ATOM 0 HA ALA A 114 10.626 3.203 19.462 1.00 0.00 H new ATOM 0 HB1 ALA A 114 11.522 1.249 18.238 1.00 0.00 H new ATOM 0 HB2 ALA A 114 9.743 1.236 18.290 1.00 0.00 H new ATOM 0 HB3 ALA A 114 10.586 1.729 16.803 1.00 0.00 H new ATOM 1809 N ASP A 115 11.790 4.513 16.704 1.00 0.00 N ATOM 1810 CA ASP A 115 12.917 5.239 16.126 1.00 0.00 C ATOM 1811 C ASP A 115 14.200 4.414 16.192 1.00 0.00 C ATOM 1812 O ASP A 115 15.288 5.001 16.015 1.00 0.00 O ATOM 1813 CB ASP A 115 13.111 6.569 16.852 1.00 0.00 C ATOM 1814 CG ASP A 115 14.030 7.512 16.099 1.00 0.00 C ATOM 1815 OD1 ASP A 115 14.292 7.260 14.903 1.00 0.00 O ATOM 1816 OD2 ASP A 115 14.487 8.504 16.705 1.00 0.00 O ATOM 1817 OXT ASP A 115 14.104 3.189 16.420 1.00 0.00 O ATOM 0 H ASP A 115 10.950 4.512 16.126 1.00 0.00 H new ATOM 0 HA ASP A 115 12.693 5.431 15.077 1.00 0.00 H new ATOM 0 HB2 ASP A 115 12.142 7.047 16.993 1.00 0.00 H new ATOM 0 HB3 ASP A 115 13.522 6.381 17.844 1.00 0.00 H new TER 1822 ASP A 115 ATOM 1823 N LEU B 45 -5.185 4.829 -18.100 1.00 0.00 N ATOM 1824 CA LEU B 45 -4.378 4.137 -19.137 1.00 0.00 C ATOM 1825 C LEU B 45 -2.894 4.155 -18.785 1.00 0.00 C ATOM 1826 O LEU B 45 -2.150 3.242 -19.142 1.00 0.00 O ATOM 1827 CB LEU B 45 -4.612 4.832 -20.480 1.00 0.00 C ATOM 1828 CG LEU B 45 -4.170 4.032 -21.707 1.00 0.00 C ATOM 1829 CD1 LEU B 45 -4.973 4.448 -22.930 1.00 0.00 C ATOM 1830 CD2 LEU B 45 -2.682 4.220 -21.957 1.00 0.00 C ATOM 0 HA LEU B 45 -4.688 3.094 -19.195 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -5.674 5.058 -20.575 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -4.083 5.785 -20.476 1.00 0.00 H new ATOM 0 HG LEU B 45 -4.356 2.975 -21.516 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -4.646 3.869 -23.794 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -6.032 4.264 -22.750 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -4.817 5.509 -23.124 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -2.385 3.644 -22.833 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -2.472 5.276 -22.128 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -2.121 3.875 -21.089 1.00 0.00 H new ATOM 1842 N SER B 46 -2.471 5.202 -18.082 1.00 0.00 N ATOM 1843 CA SER B 46 -1.077 5.341 -17.681 1.00 0.00 C ATOM 1844 C SER B 46 -0.964 5.514 -16.169 1.00 0.00 C ATOM 1845 O SER B 46 -1.882 6.022 -15.524 1.00 0.00 O ATOM 1846 CB SER B 46 -0.437 6.534 -18.395 1.00 0.00 C ATOM 1847 OG SER B 46 0.742 6.956 -17.731 1.00 0.00 O ATOM 0 H SER B 46 -3.075 5.966 -17.779 1.00 0.00 H new ATOM 0 HA SER B 46 -0.547 4.432 -17.965 1.00 0.00 H new ATOM 0 HB2 SER B 46 -0.201 6.262 -19.424 1.00 0.00 H new ATOM 0 HB3 SER B 46 -1.148 7.359 -18.439 1.00 0.00 H new ATOM 0 HG SER B 46 1.132 7.718 -18.209 1.00 0.00 H new ATOM 1853 N PRO B 47 0.169 5.095 -15.580 1.00 0.00 N ATOM 1854 CA PRO B 47 0.397 5.207 -14.135 1.00 0.00 C ATOM 1855 C PRO B 47 0.074 6.599 -13.604 1.00 0.00 C ATOM 1856 O PRO B 47 -0.492 6.745 -12.521 1.00 0.00 O ATOM 1857 CB PRO B 47 1.890 4.919 -13.995 1.00 0.00 C ATOM 1858 CG PRO B 47 2.213 4.035 -15.148 1.00 0.00 C ATOM 1859 CD PRO B 47 1.316 4.477 -16.274 1.00 0.00 C ATOM 0 HA PRO B 47 -0.240 4.530 -13.566 1.00 0.00 H new ATOM 0 HB2 PRO B 47 2.475 5.838 -14.024 1.00 0.00 H new ATOM 0 HB3 PRO B 47 2.112 4.430 -13.046 1.00 0.00 H new ATOM 0 HG2 PRO B 47 3.263 4.126 -15.427 1.00 0.00 H new ATOM 0 HG3 PRO B 47 2.039 2.988 -14.898 1.00 0.00 H new ATOM 0 HD2 PRO B 47 1.817 5.187 -16.931 1.00 0.00 H new ATOM 0 HD3 PRO B 47 1.005 3.635 -16.893 1.00 0.00 H new ATOM 1867 N ASP B 48 0.438 7.618 -14.375 1.00 0.00 N ATOM 1868 CA ASP B 48 0.185 9.000 -13.984 1.00 0.00 C ATOM 1869 C ASP B 48 -1.312 9.258 -13.855 1.00 0.00 C ATOM 1870 O ASP B 48 -1.739 10.130 -13.097 1.00 0.00 O ATOM 1871 CB ASP B 48 0.794 9.962 -15.006 1.00 0.00 C ATOM 1872 CG ASP B 48 0.745 11.404 -14.544 1.00 0.00 C ATOM 1873 OD1 ASP B 48 0.502 11.637 -13.342 1.00 0.00 O ATOM 1874 OD2 ASP B 48 0.951 12.304 -15.387 1.00 0.00 O ATOM 0 H ASP B 48 0.909 7.513 -15.274 1.00 0.00 H new ATOM 0 HA ASP B 48 0.652 9.170 -13.014 1.00 0.00 H new ATOM 0 HB2 ASP B 48 1.830 9.679 -15.195 1.00 0.00 H new ATOM 0 HB3 ASP B 48 0.260 9.868 -15.952 1.00 0.00 H new ATOM 1879 N ASP B 49 -2.104 8.494 -14.600 1.00 0.00 N ATOM 1880 CA ASP B 49 -3.554 8.639 -14.569 1.00 0.00 C ATOM 1881 C ASP B 49 -4.106 8.278 -13.196 1.00 0.00 C ATOM 1882 O ASP B 49 -4.945 8.988 -12.645 1.00 0.00 O ATOM 1883 CB ASP B 49 -4.198 7.752 -15.637 1.00 0.00 C ATOM 1884 CG ASP B 49 -5.584 8.228 -16.027 1.00 0.00 C ATOM 1885 OD1 ASP B 49 -5.920 9.391 -15.719 1.00 0.00 O ATOM 1886 OD2 ASP B 49 -6.332 7.439 -16.640 1.00 0.00 O ATOM 0 H ASP B 49 -1.766 7.769 -15.232 1.00 0.00 H new ATOM 0 HA ASP B 49 -3.795 9.682 -14.776 1.00 0.00 H new ATOM 0 HB2 ASP B 49 -3.561 7.733 -16.522 1.00 0.00 H new ATOM 0 HB3 ASP B 49 -4.259 6.729 -15.267 1.00 0.00 H new ATOM 1891 N ILE B 50 -3.629 7.163 -12.652 1.00 0.00 N ATOM 1892 CA ILE B 50 -4.072 6.700 -11.343 1.00 0.00 C ATOM 1893 C ILE B 50 -3.634 7.658 -10.242 1.00 0.00 C ATOM 1894 O ILE B 50 -4.271 7.751 -9.193 1.00 0.00 O ATOM 1895 CB ILE B 50 -3.529 5.292 -11.034 1.00 0.00 C ATOM 1896 CG1 ILE B 50 -3.799 4.347 -12.207 1.00 0.00 C ATOM 1897 CG2 ILE B 50 -4.152 4.749 -9.758 1.00 0.00 C ATOM 1898 CD1 ILE B 50 -5.260 4.263 -12.594 1.00 0.00 C ATOM 0 H ILE B 50 -2.935 6.563 -13.098 1.00 0.00 H new ATOM 0 HA ILE B 50 -5.161 6.663 -11.372 1.00 0.00 H new ATOM 0 HB ILE B 50 -2.451 5.362 -10.887 1.00 0.00 H new ATOM 0 HG12 ILE B 50 -3.222 4.679 -13.070 1.00 0.00 H new ATOM 0 HG13 ILE B 50 -3.442 3.350 -11.949 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -3.757 3.754 -9.555 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -3.912 5.411 -8.926 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -5.234 4.693 -9.877 1.00 0.00 H new ATOM 0 HD11 ILE B 50 -5.376 3.575 -13.432 1.00 0.00 H new ATOM 0 HD12 ILE B 50 -5.841 3.902 -11.745 1.00 0.00 H new ATOM 0 HD13 ILE B 50 -5.617 5.251 -12.884 1.00 0.00 H new ATOM 1910 N GLU B 51 -2.546 8.372 -10.491 1.00 0.00 N ATOM 1911 CA GLU B 51 -2.019 9.328 -9.525 1.00 0.00 C ATOM 1912 C GLU B 51 -2.993 10.483 -9.315 1.00 0.00 C ATOM 1913 O GLU B 51 -3.099 11.028 -8.216 1.00 0.00 O ATOM 1914 CB GLU B 51 -0.666 9.867 -9.994 1.00 0.00 C ATOM 1915 CG GLU B 51 0.416 8.803 -10.077 1.00 0.00 C ATOM 1916 CD GLU B 51 1.760 9.366 -10.498 1.00 0.00 C ATOM 1917 OE1 GLU B 51 1.801 10.531 -10.947 1.00 0.00 O ATOM 1918 OE2 GLU B 51 2.770 8.644 -10.377 1.00 0.00 O ATOM 0 H GLU B 51 -2.009 8.308 -11.356 1.00 0.00 H new ATOM 0 HA GLU B 51 -1.887 8.810 -8.575 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -0.788 10.327 -10.975 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -0.341 10.652 -9.312 1.00 0.00 H new ATOM 0 HG2 GLU B 51 0.518 8.318 -9.106 1.00 0.00 H new ATOM 0 HG3 GLU B 51 0.110 8.034 -10.787 1.00 0.00 H new ATOM 1925 N GLN B 52 -3.702 10.853 -10.378 1.00 0.00 N ATOM 1926 CA GLN B 52 -4.666 11.943 -10.311 1.00 0.00 C ATOM 1927 C GLN B 52 -5.865 11.567 -9.445 1.00 0.00 C ATOM 1928 O GLN B 52 -6.498 12.430 -8.838 1.00 0.00 O ATOM 1929 CB GLN B 52 -5.132 12.325 -11.718 1.00 0.00 C ATOM 1930 CG GLN B 52 -4.513 13.615 -12.230 1.00 0.00 C ATOM 1931 CD GLN B 52 -4.007 13.497 -13.655 1.00 0.00 C ATOM 1932 OE1 GLN B 52 -2.943 14.015 -13.993 1.00 0.00 O ATOM 1933 NE2 GLN B 52 -4.769 12.811 -14.499 1.00 0.00 N ATOM 0 H GLN B 52 -3.626 10.413 -11.295 1.00 0.00 H new ATOM 0 HA GLN B 52 -4.173 12.801 -9.853 1.00 0.00 H new ATOM 0 HB2 GLN B 52 -4.888 11.516 -12.406 1.00 0.00 H new ATOM 0 HB3 GLN B 52 -6.217 12.427 -11.718 1.00 0.00 H new ATOM 0 HG2 GLN B 52 -5.252 14.414 -12.177 1.00 0.00 H new ATOM 0 HG3 GLN B 52 -3.687 13.901 -11.578 1.00 0.00 H new ATOM 0 HE21 GLN B 52 -5.644 12.398 -14.176 1.00 0.00 H new ATOM 0 HE22 GLN B 52 -4.479 12.697 -15.470 1.00 0.00 H new ATOM 1942 N TRP B 53 -6.170 10.274 -9.391 1.00 0.00 N ATOM 1943 CA TRP B 53 -7.294 9.789 -8.596 1.00 0.00 C ATOM 1944 C TRP B 53 -7.180 10.262 -7.149 1.00 0.00 C ATOM 1945 O TRP B 53 -8.186 10.447 -6.464 1.00 0.00 O ATOM 1946 CB TRP B 53 -7.358 8.261 -8.642 1.00 0.00 C ATOM 1947 CG TRP B 53 -7.826 7.727 -9.963 1.00 0.00 C ATOM 1948 CD1 TRP B 53 -7.469 8.176 -11.202 1.00 0.00 C ATOM 1949 CD2 TRP B 53 -8.737 6.642 -10.175 1.00 0.00 C ATOM 1950 NE1 TRP B 53 -8.103 7.437 -12.172 1.00 0.00 N ATOM 1951 CE2 TRP B 53 -8.886 6.489 -11.566 1.00 0.00 C ATOM 1952 CE3 TRP B 53 -9.440 5.785 -9.325 1.00 0.00 C ATOM 1953 CZ2 TRP B 53 -9.711 5.515 -12.125 1.00 0.00 C ATOM 1954 CZ3 TRP B 53 -10.258 4.819 -9.878 1.00 0.00 C ATOM 1955 CH2 TRP B 53 -10.387 4.690 -11.267 1.00 0.00 C ATOM 0 H TRP B 53 -5.657 9.545 -9.886 1.00 0.00 H new ATOM 0 HA TRP B 53 -8.211 10.196 -9.022 1.00 0.00 H new ATOM 0 HB2 TRP B 53 -6.370 7.856 -8.424 1.00 0.00 H new ATOM 0 HB3 TRP B 53 -8.028 7.908 -7.857 1.00 0.00 H new ATOM 0 HD1 TRP B 53 -6.788 8.992 -11.392 1.00 0.00 H new ATOM 0 HE1 TRP B 53 -8.007 7.572 -13.178 1.00 0.00 H new ATOM 0 HE3 TRP B 53 -9.346 5.876 -8.253 1.00 0.00 H new ATOM 0 HZ2 TRP B 53 -9.813 5.415 -13.195 1.00 0.00 H new ATOM 0 HZ3 TRP B 53 -10.807 4.153 -9.229 1.00 0.00 H new ATOM 0 HH2 TRP B 53 -11.033 3.924 -11.669 1.00 0.00 H new ATOM 1966 N PHE B 54 -5.947 10.456 -6.694 1.00 0.00 N ATOM 1967 CA PHE B 54 -5.697 10.910 -5.329 1.00 0.00 C ATOM 1968 C PHE B 54 -5.470 12.418 -5.288 1.00 0.00 C ATOM 1969 O PHE B 54 -5.692 13.060 -4.262 1.00 0.00 O ATOM 1970 CB PHE B 54 -4.487 10.183 -4.743 1.00 0.00 C ATOM 1971 CG PHE B 54 -4.691 8.703 -4.589 1.00 0.00 C ATOM 1972 CD1 PHE B 54 -5.316 8.189 -3.465 1.00 0.00 C ATOM 1973 CD2 PHE B 54 -4.257 7.826 -5.570 1.00 0.00 C ATOM 1974 CE1 PHE B 54 -5.506 6.829 -3.321 1.00 0.00 C ATOM 1975 CE2 PHE B 54 -4.444 6.464 -5.432 1.00 0.00 C ATOM 1976 CZ PHE B 54 -5.068 5.964 -4.306 1.00 0.00 C ATOM 0 H PHE B 54 -5.105 10.306 -7.249 1.00 0.00 H new ATOM 0 HA PHE B 54 -6.577 10.679 -4.729 1.00 0.00 H new ATOM 0 HB2 PHE B 54 -3.623 10.357 -5.385 1.00 0.00 H new ATOM 0 HB3 PHE B 54 -4.252 10.612 -3.769 1.00 0.00 H new ATOM 0 HD1 PHE B 54 -5.659 8.860 -2.692 1.00 0.00 H new ATOM 0 HD2 PHE B 54 -3.767 8.211 -6.452 1.00 0.00 H new ATOM 0 HE1 PHE B 54 -5.996 6.442 -2.440 1.00 0.00 H new ATOM 0 HE2 PHE B 54 -4.102 5.791 -6.204 1.00 0.00 H new ATOM 0 HZ PHE B 54 -5.213 4.900 -4.195 1.00 0.00 H new ATOM 1986 N THR B 55 -5.025 12.982 -6.410 1.00 0.00 N ATOM 1987 CA THR B 55 -4.769 14.413 -6.495 1.00 0.00 C ATOM 1988 C THR B 55 -6.067 15.183 -6.736 1.00 0.00 C ATOM 1989 O THR B 55 -6.203 16.334 -6.318 1.00 0.00 O ATOM 1990 CB THR B 55 -3.746 14.692 -7.598 1.00 0.00 C ATOM 1991 OG1 THR B 55 -2.463 14.917 -7.042 1.00 0.00 O ATOM 1992 CG2 THR B 55 -4.082 15.887 -8.465 1.00 0.00 C ATOM 0 H THR B 55 -4.835 12.468 -7.270 1.00 0.00 H new ATOM 0 HA THR B 55 -4.357 14.756 -5.546 1.00 0.00 H new ATOM 0 HB THR B 55 -3.764 13.802 -8.227 1.00 0.00 H new ATOM 0 HG1 THR B 55 -1.821 15.092 -7.761 1.00 0.00 H new ATOM 0 HG21 THR B 55 -3.308 16.017 -9.222 1.00 0.00 H new ATOM 0 HG22 THR B 55 -5.043 15.724 -8.953 1.00 0.00 H new ATOM 0 HG23 THR B 55 -4.137 16.782 -7.845 1.00 0.00 H new ATOM 2000 N GLU B 56 -7.017 14.539 -7.409 1.00 0.00 N ATOM 2001 CA GLU B 56 -8.308 15.153 -7.706 1.00 0.00 C ATOM 2002 C GLU B 56 -8.140 16.587 -8.212 1.00 0.00 C ATOM 2003 O GLU B 56 -7.037 17.007 -8.562 1.00 0.00 O ATOM 2004 CB GLU B 56 -9.189 15.130 -6.459 1.00 0.00 C ATOM 2005 CG GLU B 56 -10.501 14.388 -6.657 1.00 0.00 C ATOM 2006 CD GLU B 56 -11.669 15.322 -6.909 1.00 0.00 C ATOM 2007 OE1 GLU B 56 -11.613 16.481 -6.448 1.00 0.00 O ATOM 2008 OE2 GLU B 56 -12.639 14.895 -7.568 1.00 0.00 O ATOM 0 H GLU B 56 -6.916 13.587 -7.761 1.00 0.00 H new ATOM 0 HA GLU B 56 -8.787 14.577 -8.498 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -8.637 14.664 -5.642 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -9.403 16.155 -6.156 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -10.402 13.701 -7.498 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -10.709 13.783 -5.774 1.00 0.00 H new ATOM 2015 N ASP B 57 -9.241 17.331 -8.246 1.00 0.00 N ATOM 2016 CA ASP B 57 -9.215 18.714 -8.708 1.00 0.00 C ATOM 2017 C ASP B 57 -9.765 19.656 -7.639 1.00 0.00 C ATOM 2018 O ASP B 57 -10.911 20.097 -7.719 1.00 0.00 O ATOM 2019 CB ASP B 57 -10.025 18.859 -9.997 1.00 0.00 C ATOM 2020 CG ASP B 57 -9.509 17.966 -11.109 1.00 0.00 C ATOM 2021 OD1 ASP B 57 -8.295 18.016 -11.395 1.00 0.00 O ATOM 2022 OD2 ASP B 57 -10.319 17.214 -11.691 1.00 0.00 O ATOM 0 H ASP B 57 -10.162 16.999 -7.959 1.00 0.00 H new ATOM 0 HA ASP B 57 -8.178 18.984 -8.907 1.00 0.00 H new ATOM 0 HB2 ASP B 57 -11.069 18.618 -9.796 1.00 0.00 H new ATOM 0 HB3 ASP B 57 -9.996 19.898 -10.326 1.00 0.00 H new ATOM 2027 N PRO B 58 -8.949 19.977 -6.620 1.00 0.00 N ATOM 2028 CA PRO B 58 -9.360 20.871 -5.533 1.00 0.00 C ATOM 2029 C PRO B 58 -9.506 22.316 -5.996 1.00 0.00 C ATOM 2030 O PRO B 58 -10.652 22.745 -6.245 1.00 0.00 O ATOM 2031 CB PRO B 58 -8.218 20.746 -4.520 1.00 0.00 C ATOM 2032 CG PRO B 58 -7.034 20.349 -5.331 1.00 0.00 C ATOM 2033 CD PRO B 58 -7.565 19.494 -6.449 1.00 0.00 C ATOM 0 HA PRO B 58 -10.336 20.602 -5.130 1.00 0.00 H new ATOM 0 HB2 PRO B 58 -8.044 21.689 -4.001 1.00 0.00 H new ATOM 0 HB3 PRO B 58 -8.444 20.000 -3.758 1.00 0.00 H new ATOM 0 HG2 PRO B 58 -6.517 21.225 -5.722 1.00 0.00 H new ATOM 0 HG3 PRO B 58 -6.314 19.798 -4.726 1.00 0.00 H new ATOM 0 HD2 PRO B 58 -6.981 19.617 -7.361 1.00 0.00 H new ATOM 0 HD3 PRO B 58 -7.538 18.435 -6.193 1.00 0.00 H new TER 2041 PRO B 58