USER MOD reduce.3.24.130724 H: found=0, std=0, add=942, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 939 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 70 HIS : no HE2:sc= -1.21 K(o=-3.1,f=-5.8!) USER MOD Set 1.2: A 95 HIS : no HE2:sc= -1.95! K(o=-3.1!,f=-2.1) USER MOD Set 1.3: A 99 LYS NZ :NH3+ 157:sc= 0.0204 (180deg=0) USER MOD Set 2.1: A 74 MET CE :methyl -116:sc= -0.0194 (180deg=-1.41) USER MOD Set 2.2: A 88 GLN : amide:sc= -0.295 X(o=-0.31,f=-0.5) USER MOD Set 3.1: A 60 ASN : amide:sc= 0.146 X(o=-0.87,f=-1.4) USER MOD Set 3.2: A 69 HIS : no HD1:sc= -0.911 K(o=-0.87,f=-3.6!) USER MOD Set 3.3: A 72 ASN : amide:sc= -0.108 X(o=-0.87,f=-1.4) USER MOD Set 4.1: A 7 ASN : amide:sc= -0.102 X(o=-0.17,f=-0.1) USER MOD Set 4.2: A 11 ASN : amide:sc= -0.0641 X(o=-0.17,f=-0.029) USER MOD Single : A 2 GLN : amide:sc= -0.166 K(o=-0.17,f=-3.6!) USER MOD Single : A 5 MET CE :methyl -166:sc= -0.0112 (180deg=-0.116) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot -37:sc= 0.158 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -163:sc= 0.649 (180deg=0.507) USER MOD Single : A 21 LYS NZ :NH3+ -161:sc= 1.26 (180deg=1.16) USER MOD Single : A 23 MET CE :methyl -164:sc= -0.198 (180deg=-0.526) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.702 X(o=-0.7,f=-0.22) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -2.2 K(o=-2.2,f=-2.9!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 165:sc= -0.0547 USER MOD Single : A 44 LYS NZ :NH3+ -172:sc= 1.24 (180deg=1.18) USER MOD Single : A 45 ASN : amide:sc= 0.579 K(o=0.58,f=-0.15) USER MOD Single : A 48 THR OG1 : rot -58:sc= 0.286 USER MOD Single : A 53 MET CE :methyl -150:sc= -0.182 (180deg=-1.04) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.155 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl -147:sc= 0 (180deg=-0.623) USER MOD Single : A 78 LYS NZ :NH3+ -178:sc= 1.89 (180deg=1.88) USER MOD Single : A 79 LYS NZ :NH3+ 162:sc=-0.00396 (180deg=-0.174) USER MOD Single : A 80 HIS : no HE2:sc= -0.814 K(o=-0.81,f=-6.1!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.00144 USER MOD Single : A 86 MET CE :methyl -157:sc= -0.661 (180deg=-0.726) USER MOD Single : A 89 GLN : amide:sc= -0.531 K(o=-0.53,f=-2.5) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot -170:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -0.166 X(o=-0.17,f=-0.12) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 THR OG1 : rot 34:sc= 0.733 USER MOD Single : A 116 THR OG1 : rot 180:sc=0.000683 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 HIS : no HE2:sc= -1.4 K(o=-1.4,f=-2.4!) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 ASN : amide:sc= 0 X(o=0,f=0.012) USER MOD ----------------------------------------------------------------- ATOM 12 N GLN A 2 12.280 -10.222 2.797 1.00 0.00 N ATOM 13 CA GLN A 2 10.870 -10.530 3.023 1.00 0.00 C ATOM 14 C GLN A 2 10.482 -10.342 4.494 1.00 0.00 C ATOM 15 O GLN A 2 9.425 -9.798 4.779 1.00 0.00 O ATOM 16 CB GLN A 2 10.591 -11.972 2.538 1.00 0.00 C ATOM 17 CG GLN A 2 9.380 -12.073 1.600 1.00 0.00 C ATOM 18 CD GLN A 2 8.075 -12.448 2.292 1.00 0.00 C ATOM 19 OE1 GLN A 2 7.668 -11.824 3.264 1.00 0.00 O ATOM 20 NE2 GLN A 2 7.379 -13.486 1.864 1.00 0.00 N ATOM 0 HA GLN A 2 10.253 -9.835 2.453 1.00 0.00 H new ATOM 0 HB2 GLN A 2 11.473 -12.352 2.023 1.00 0.00 H new ATOM 0 HB3 GLN A 2 10.426 -12.614 3.404 1.00 0.00 H new ATOM 0 HG2 GLN A 2 9.247 -11.116 1.095 1.00 0.00 H new ATOM 0 HG3 GLN A 2 9.594 -12.814 0.829 1.00 0.00 H new ATOM 0 HE21 GLN A 2 7.702 -14.018 1.056 1.00 0.00 H new ATOM 0 HE22 GLN A 2 6.519 -13.755 2.342 1.00 0.00 H new ATOM 29 N GLU A 3 11.382 -10.716 5.405 1.00 0.00 N ATOM 30 CA GLU A 3 11.285 -10.622 6.861 1.00 0.00 C ATOM 31 C GLU A 3 10.675 -9.302 7.333 1.00 0.00 C ATOM 32 O GLU A 3 9.699 -9.276 8.081 1.00 0.00 O ATOM 33 CB GLU A 3 12.717 -10.780 7.383 1.00 0.00 C ATOM 34 CG GLU A 3 12.850 -11.126 8.870 1.00 0.00 C ATOM 35 CD GLU A 3 14.242 -11.707 9.133 1.00 0.00 C ATOM 36 OE1 GLU A 3 15.244 -11.086 8.710 1.00 0.00 O ATOM 37 OE2 GLU A 3 14.352 -12.861 9.606 1.00 0.00 O ATOM 0 H GLU A 3 12.271 -11.126 5.119 1.00 0.00 H new ATOM 0 HA GLU A 3 10.618 -11.394 7.245 1.00 0.00 H new ATOM 0 HB2 GLU A 3 13.211 -11.559 6.802 1.00 0.00 H new ATOM 0 HB3 GLU A 3 13.257 -9.852 7.196 1.00 0.00 H new ATOM 0 HG2 GLU A 3 12.695 -10.234 9.478 1.00 0.00 H new ATOM 0 HG3 GLU A 3 12.083 -11.845 9.158 1.00 0.00 H new ATOM 44 N VAL A 4 11.271 -8.190 6.909 1.00 0.00 N ATOM 45 CA VAL A 4 10.836 -6.864 7.316 1.00 0.00 C ATOM 46 C VAL A 4 9.715 -6.365 6.417 1.00 0.00 C ATOM 47 O VAL A 4 8.802 -5.698 6.885 1.00 0.00 O ATOM 48 CB VAL A 4 12.057 -5.948 7.375 1.00 0.00 C ATOM 49 CG1 VAL A 4 12.774 -5.751 6.044 1.00 0.00 C ATOM 50 CG2 VAL A 4 11.706 -4.593 7.989 1.00 0.00 C ATOM 0 H VAL A 4 12.069 -8.187 6.274 1.00 0.00 H new ATOM 0 HA VAL A 4 10.402 -6.883 8.316 1.00 0.00 H new ATOM 0 HB VAL A 4 12.762 -6.473 8.019 1.00 0.00 H new ATOM 0 HG11 VAL A 4 13.627 -5.087 6.185 1.00 0.00 H new ATOM 0 HG12 VAL A 4 13.122 -6.715 5.672 1.00 0.00 H new ATOM 0 HG13 VAL A 4 12.086 -5.311 5.322 1.00 0.00 H new ATOM 0 HG21 VAL A 4 12.596 -3.965 8.017 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.938 -4.108 7.386 1.00 0.00 H new ATOM 0 HG23 VAL A 4 11.333 -4.739 9.003 1.00 0.00 H new ATOM 60 N MET A 5 9.765 -6.716 5.137 1.00 0.00 N ATOM 61 CA MET A 5 8.745 -6.367 4.153 1.00 0.00 C ATOM 62 C MET A 5 7.347 -6.827 4.599 1.00 0.00 C ATOM 63 O MET A 5 6.389 -6.054 4.553 1.00 0.00 O ATOM 64 CB MET A 5 9.149 -6.929 2.781 1.00 0.00 C ATOM 65 CG MET A 5 8.560 -6.089 1.655 1.00 0.00 C ATOM 66 SD MET A 5 6.982 -6.688 1.007 1.00 0.00 S ATOM 67 CE MET A 5 5.980 -5.225 1.306 1.00 0.00 C ATOM 0 H MET A 5 10.532 -7.263 4.745 1.00 0.00 H new ATOM 0 HA MET A 5 8.682 -5.282 4.067 1.00 0.00 H new ATOM 0 HB2 MET A 5 10.236 -6.947 2.697 1.00 0.00 H new ATOM 0 HB3 MET A 5 8.805 -7.959 2.690 1.00 0.00 H new ATOM 0 HG2 MET A 5 8.425 -5.069 2.014 1.00 0.00 H new ATOM 0 HG3 MET A 5 9.280 -6.047 0.838 1.00 0.00 H new ATOM 0 HE1 MET A 5 4.925 -5.479 1.204 1.00 0.00 H new ATOM 0 HE2 MET A 5 6.168 -4.855 2.314 1.00 0.00 H new ATOM 0 HE3 MET A 5 6.239 -4.452 0.582 1.00 0.00 H new ATOM 77 N LYS A 6 7.238 -8.051 5.116 1.00 0.00 N ATOM 78 CA LYS A 6 6.006 -8.603 5.665 1.00 0.00 C ATOM 79 C LYS A 6 5.478 -7.716 6.785 1.00 0.00 C ATOM 80 O LYS A 6 4.317 -7.306 6.734 1.00 0.00 O ATOM 81 CB LYS A 6 6.287 -10.038 6.125 1.00 0.00 C ATOM 82 CG LYS A 6 5.021 -10.760 6.603 1.00 0.00 C ATOM 83 CD LYS A 6 5.314 -12.244 6.862 1.00 0.00 C ATOM 84 CE LYS A 6 5.403 -13.066 5.568 1.00 0.00 C ATOM 85 NZ LYS A 6 4.077 -13.505 5.090 1.00 0.00 N ATOM 0 H LYS A 6 8.024 -8.699 5.164 1.00 0.00 H new ATOM 0 HA LYS A 6 5.222 -8.632 4.908 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.733 -10.599 5.303 1.00 0.00 H new ATOM 0 HB3 LYS A 6 7.018 -10.020 6.933 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.651 -10.292 7.515 1.00 0.00 H new ATOM 0 HG3 LYS A 6 4.235 -10.664 5.854 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.252 -12.335 7.410 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.532 -12.659 7.498 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.886 -12.470 4.794 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.033 -13.939 5.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 4.188 -14.056 4.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 3.625 -14.096 5.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 3.483 -12.673 4.902 1.00 0.00 H new ATOM 99 N ASN A 7 6.318 -7.420 7.779 1.00 0.00 N ATOM 100 CA ASN A 7 5.984 -6.571 8.921 1.00 0.00 C ATOM 101 C ASN A 7 5.640 -5.147 8.494 1.00 0.00 C ATOM 102 O ASN A 7 4.745 -4.538 9.068 1.00 0.00 O ATOM 103 CB ASN A 7 7.191 -6.486 9.858 1.00 0.00 C ATOM 104 CG ASN A 7 6.845 -5.673 11.102 1.00 0.00 C ATOM 105 OD1 ASN A 7 5.733 -5.756 11.614 1.00 0.00 O ATOM 106 ND2 ASN A 7 7.755 -4.852 11.589 1.00 0.00 N ATOM 0 H ASN A 7 7.274 -7.774 7.811 1.00 0.00 H new ATOM 0 HA ASN A 7 5.119 -7.017 9.412 1.00 0.00 H new ATOM 0 HB2 ASN A 7 7.506 -7.489 10.147 1.00 0.00 H new ATOM 0 HB3 ASN A 7 8.031 -6.026 9.338 1.00 0.00 H new ATOM 0 HD21 ASN A 7 7.539 -4.275 12.402 1.00 0.00 H new ATOM 0 HD22 ASN A 7 8.675 -4.794 11.153 1.00 0.00 H new ATOM 113 N LEU A 8 6.330 -4.599 7.496 1.00 0.00 N ATOM 114 CA LEU A 8 6.060 -3.280 6.939 1.00 0.00 C ATOM 115 C LEU A 8 4.627 -3.241 6.441 1.00 0.00 C ATOM 116 O LEU A 8 3.839 -2.409 6.888 1.00 0.00 O ATOM 117 CB LEU A 8 7.048 -2.966 5.801 1.00 0.00 C ATOM 118 CG LEU A 8 8.356 -2.369 6.328 1.00 0.00 C ATOM 119 CD1 LEU A 8 9.538 -2.583 5.385 1.00 0.00 C ATOM 120 CD2 LEU A 8 8.182 -0.867 6.542 1.00 0.00 C ATOM 0 H LEU A 8 7.111 -5.073 7.043 1.00 0.00 H new ATOM 0 HA LEU A 8 6.192 -2.520 7.709 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.264 -3.879 5.245 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.587 -2.269 5.102 1.00 0.00 H new ATOM 0 HG LEU A 8 8.577 -2.885 7.262 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.434 -2.136 5.817 1.00 0.00 H new ATOM 0 HD12 LEU A 8 9.699 -3.651 5.240 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.326 -2.114 4.424 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.113 -0.443 6.917 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.922 -0.392 5.596 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.386 -0.692 7.266 1.00 0.00 H new ATOM 132 N SER A 9 4.259 -4.186 5.577 1.00 0.00 N ATOM 133 CA SER A 9 2.899 -4.239 5.060 1.00 0.00 C ATOM 134 C SER A 9 1.892 -4.691 6.128 1.00 0.00 C ATOM 135 O SER A 9 0.692 -4.602 5.889 1.00 0.00 O ATOM 136 CB SER A 9 2.835 -5.120 3.806 1.00 0.00 C ATOM 137 OG SER A 9 1.649 -4.815 3.083 1.00 0.00 O ATOM 0 H SER A 9 4.878 -4.916 5.225 1.00 0.00 H new ATOM 0 HA SER A 9 2.611 -3.227 4.777 1.00 0.00 H new ATOM 0 HB2 SER A 9 3.711 -4.948 3.181 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.844 -6.173 4.086 1.00 0.00 H new ATOM 0 HG SER A 9 0.918 -4.639 3.712 1.00 0.00 H new ATOM 143 N LEU A 10 2.343 -5.165 7.292 1.00 0.00 N ATOM 144 CA LEU A 10 1.494 -5.579 8.398 1.00 0.00 C ATOM 145 C LEU A 10 1.135 -4.364 9.239 1.00 0.00 C ATOM 146 O LEU A 10 -0.033 -4.057 9.461 1.00 0.00 O ATOM 147 CB LEU A 10 2.220 -6.661 9.213 1.00 0.00 C ATOM 148 CG LEU A 10 1.301 -7.321 10.245 1.00 0.00 C ATOM 149 CD1 LEU A 10 1.550 -8.829 10.274 1.00 0.00 C ATOM 150 CD2 LEU A 10 1.481 -6.713 11.636 1.00 0.00 C ATOM 0 H LEU A 10 3.338 -5.272 7.491 1.00 0.00 H new ATOM 0 HA LEU A 10 0.563 -6.010 8.031 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.610 -7.422 8.537 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.076 -6.217 9.722 1.00 0.00 H new ATOM 0 HG LEU A 10 0.269 -7.136 9.946 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.893 -9.292 11.010 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.346 -9.250 9.290 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.589 -9.021 10.543 1.00 0.00 H new ATOM 0 HD21 LEU A 10 0.811 -7.208 12.339 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.513 -6.847 11.961 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.247 -5.649 11.601 1.00 0.00 H new ATOM 162 N ASN A 11 2.161 -3.640 9.674 1.00 0.00 N ATOM 163 CA ASN A 11 2.040 -2.413 10.442 1.00 0.00 C ATOM 164 C ASN A 11 1.340 -1.324 9.641 1.00 0.00 C ATOM 165 O ASN A 11 0.688 -0.457 10.217 1.00 0.00 O ATOM 166 CB ASN A 11 3.430 -1.932 10.851 1.00 0.00 C ATOM 167 CG ASN A 11 3.781 -2.397 12.252 1.00 0.00 C ATOM 168 OD1 ASN A 11 3.729 -1.614 13.195 1.00 0.00 O ATOM 169 ND2 ASN A 11 4.144 -3.651 12.430 1.00 0.00 N ATOM 0 H ASN A 11 3.130 -3.903 9.494 1.00 0.00 H new ATOM 0 HA ASN A 11 1.439 -2.622 11.327 1.00 0.00 H new ATOM 0 HB2 ASN A 11 4.170 -2.307 10.144 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.469 -0.844 10.806 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.387 -3.984 13.363 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.182 -4.289 11.635 1.00 0.00 H new ATOM 176 N PHE A 12 1.456 -1.373 8.313 1.00 0.00 N ATOM 177 CA PHE A 12 0.667 -0.560 7.408 1.00 0.00 C ATOM 178 C PHE A 12 -0.830 -0.729 7.693 1.00 0.00 C ATOM 179 O PHE A 12 -1.540 0.262 7.813 1.00 0.00 O ATOM 180 CB PHE A 12 1.031 -0.949 5.972 1.00 0.00 C ATOM 181 CG PHE A 12 0.226 -0.245 4.904 1.00 0.00 C ATOM 182 CD1 PHE A 12 0.364 1.144 4.740 1.00 0.00 C ATOM 183 CD2 PHE A 12 -0.657 -0.966 4.077 1.00 0.00 C ATOM 184 CE1 PHE A 12 -0.370 1.812 3.749 1.00 0.00 C ATOM 185 CE2 PHE A 12 -1.389 -0.294 3.083 1.00 0.00 C ATOM 186 CZ PHE A 12 -1.239 1.093 2.913 1.00 0.00 C ATOM 0 H PHE A 12 2.113 -1.991 7.836 1.00 0.00 H new ATOM 0 HA PHE A 12 0.889 0.497 7.554 1.00 0.00 H new ATOM 0 HB2 PHE A 12 2.088 -0.738 5.810 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.900 -2.025 5.857 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.036 1.698 5.378 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -0.771 -2.032 4.206 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -0.267 2.880 3.629 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.068 -0.844 2.449 1.00 0.00 H new ATOM 0 HZ PHE A 12 -1.792 1.605 2.140 1.00 0.00 H new ATOM 196 N GLY A 13 -1.304 -1.967 7.866 1.00 0.00 N ATOM 197 CA GLY A 13 -2.709 -2.295 8.063 1.00 0.00 C ATOM 198 C GLY A 13 -3.227 -2.088 9.484 1.00 0.00 C ATOM 199 O GLY A 13 -4.364 -2.478 9.756 1.00 0.00 O ATOM 0 H GLY A 13 -0.699 -2.788 7.872 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.307 -1.689 7.383 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.866 -3.337 7.783 1.00 0.00 H new ATOM 203 N LYS A 14 -2.451 -1.501 10.403 1.00 0.00 N ATOM 204 CA LYS A 14 -2.846 -1.362 11.810 1.00 0.00 C ATOM 205 C LYS A 14 -4.147 -0.578 11.984 1.00 0.00 C ATOM 206 O LYS A 14 -4.900 -0.876 12.914 1.00 0.00 O ATOM 207 CB LYS A 14 -1.708 -0.704 12.610 1.00 0.00 C ATOM 208 CG LYS A 14 -0.543 -1.671 12.847 1.00 0.00 C ATOM 209 CD LYS A 14 -0.767 -2.470 14.124 1.00 0.00 C ATOM 210 CE LYS A 14 0.257 -3.593 14.304 1.00 0.00 C ATOM 211 NZ LYS A 14 -0.132 -4.483 15.415 1.00 0.00 N ATOM 0 H LYS A 14 -1.533 -1.109 10.193 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.033 -2.364 12.195 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.348 0.174 12.074 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.092 -0.356 13.569 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.446 -2.349 11.999 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.391 -1.114 12.918 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.719 -1.799 14.981 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.770 -2.897 14.110 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.338 -4.169 13.382 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.241 -3.166 14.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.576 -5.237 15.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.186 -3.934 16.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.061 -4.905 15.213 1.00 0.00 H new ATOM 225 N ALA A 15 -4.446 0.357 11.079 1.00 0.00 N ATOM 226 CA ALA A 15 -5.621 1.221 11.146 1.00 0.00 C ATOM 227 C ALA A 15 -6.754 0.775 10.209 1.00 0.00 C ATOM 228 O ALA A 15 -7.657 1.559 9.907 1.00 0.00 O ATOM 229 CB ALA A 15 -5.191 2.654 10.850 1.00 0.00 C ATOM 0 H ALA A 15 -3.863 0.536 10.262 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.035 1.153 12.152 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.059 3.311 10.897 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.455 2.973 11.588 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.751 2.704 9.854 1.00 0.00 H new ATOM 235 N LEU A 16 -6.694 -0.449 9.673 1.00 0.00 N ATOM 236 CA LEU A 16 -7.650 -0.901 8.669 1.00 0.00 C ATOM 237 C LEU A 16 -9.076 -0.883 9.212 1.00 0.00 C ATOM 238 O LEU A 16 -9.958 -0.333 8.559 1.00 0.00 O ATOM 239 CB LEU A 16 -7.277 -2.313 8.178 1.00 0.00 C ATOM 240 CG LEU A 16 -8.196 -2.776 7.032 1.00 0.00 C ATOM 241 CD1 LEU A 16 -7.812 -2.083 5.728 1.00 0.00 C ATOM 242 CD2 LEU A 16 -8.138 -4.293 6.847 1.00 0.00 C ATOM 0 H LEU A 16 -5.989 -1.143 9.922 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.607 -0.211 7.827 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.241 -2.319 7.839 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.346 -3.017 9.007 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.217 -2.503 7.299 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.471 -2.421 4.928 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.910 -1.004 5.847 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.780 -2.328 5.476 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.798 -4.585 6.030 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.116 -4.592 6.613 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.458 -4.784 7.766 1.00 0.00 H new ATOM 254 N ASP A 17 -9.314 -1.493 10.373 1.00 0.00 N ATOM 255 CA ASP A 17 -10.645 -1.640 10.970 1.00 0.00 C ATOM 256 C ASP A 17 -11.214 -0.289 11.377 1.00 0.00 C ATOM 257 O ASP A 17 -12.427 -0.085 11.386 1.00 0.00 O ATOM 258 CB ASP A 17 -10.546 -2.472 12.245 1.00 0.00 C ATOM 259 CG ASP A 17 -11.872 -3.151 12.568 1.00 0.00 C ATOM 260 OD1 ASP A 17 -12.162 -4.169 11.886 1.00 0.00 O ATOM 261 OD2 ASP A 17 -12.596 -2.694 13.477 1.00 0.00 O ATOM 0 H ASP A 17 -8.573 -1.908 10.938 1.00 0.00 H new ATOM 0 HA ASP A 17 -11.285 -2.114 10.226 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -9.767 -3.226 12.130 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.250 -1.833 13.077 1.00 0.00 H new ATOM 266 N GLU A 18 -10.307 0.633 11.695 1.00 0.00 N ATOM 267 CA GLU A 18 -10.616 1.988 12.113 1.00 0.00 C ATOM 268 C GLU A 18 -11.259 2.691 10.925 1.00 0.00 C ATOM 269 O GLU A 18 -12.393 3.160 11.027 1.00 0.00 O ATOM 270 CB GLU A 18 -9.365 2.712 12.626 1.00 0.00 C ATOM 271 CG GLU A 18 -8.705 1.881 13.739 1.00 0.00 C ATOM 272 CD GLU A 18 -8.662 2.592 15.081 1.00 0.00 C ATOM 273 OE1 GLU A 18 -9.676 2.545 15.809 1.00 0.00 O ATOM 274 OE2 GLU A 18 -7.583 3.109 15.448 1.00 0.00 O ATOM 0 H GLU A 18 -9.305 0.445 11.666 1.00 0.00 H new ATOM 0 HA GLU A 18 -11.310 1.988 12.953 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.661 2.866 11.808 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.634 3.698 13.006 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.248 0.942 13.851 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.688 1.628 13.438 1.00 0.00 H new ATOM 281 N CYS A 19 -10.572 2.683 9.774 1.00 0.00 N ATOM 282 CA CYS A 19 -11.106 3.266 8.553 1.00 0.00 C ATOM 283 C CYS A 19 -12.295 2.488 7.995 1.00 0.00 C ATOM 284 O CYS A 19 -13.198 3.088 7.422 1.00 0.00 O ATOM 285 CB CYS A 19 -10.041 3.428 7.475 1.00 0.00 C ATOM 286 SG CYS A 19 -9.897 5.182 7.041 1.00 0.00 S ATOM 0 H CYS A 19 -9.643 2.276 9.672 1.00 0.00 H new ATOM 0 HA CYS A 19 -11.459 4.256 8.841 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -9.083 3.049 7.833 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -10.306 2.843 6.594 1.00 0.00 H new ATOM 291 N LYS A 20 -12.343 1.168 8.187 1.00 0.00 N ATOM 292 CA LYS A 20 -13.508 0.366 7.880 1.00 0.00 C ATOM 293 C LYS A 20 -14.720 0.929 8.619 1.00 0.00 C ATOM 294 O LYS A 20 -15.749 1.145 7.993 1.00 0.00 O ATOM 295 CB LYS A 20 -13.236 -1.092 8.260 1.00 0.00 C ATOM 296 CG LYS A 20 -12.454 -1.911 7.228 1.00 0.00 C ATOM 297 CD LYS A 20 -11.950 -3.301 7.650 1.00 0.00 C ATOM 298 CE LYS A 20 -13.039 -4.323 7.966 1.00 0.00 C ATOM 299 NZ LYS A 20 -13.496 -4.336 9.368 1.00 0.00 N ATOM 0 H LYS A 20 -11.563 0.630 8.564 1.00 0.00 H new ATOM 0 HA LYS A 20 -13.722 0.399 6.812 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.686 -1.107 9.201 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.191 -1.586 8.441 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.088 -2.037 6.350 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -11.591 -1.322 6.917 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.322 -3.699 6.853 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.315 -3.188 8.529 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -13.897 -4.128 7.322 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.669 -5.316 7.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -14.005 -5.223 9.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -12.674 -4.265 10.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -14.131 -3.529 9.534 1.00 0.00 H new ATOM 313 N LYS A 21 -14.624 1.199 9.924 1.00 0.00 N ATOM 314 CA LYS A 21 -15.736 1.778 10.682 1.00 0.00 C ATOM 315 C LYS A 21 -15.940 3.266 10.415 1.00 0.00 C ATOM 316 O LYS A 21 -17.021 3.769 10.728 1.00 0.00 O ATOM 317 CB LYS A 21 -15.526 1.526 12.175 1.00 0.00 C ATOM 318 CG LYS A 21 -16.083 0.150 12.546 1.00 0.00 C ATOM 319 CD LYS A 21 -15.279 -0.497 13.665 1.00 0.00 C ATOM 320 CE LYS A 21 -15.876 -1.867 14.010 1.00 0.00 C ATOM 321 NZ LYS A 21 -14.976 -2.649 14.876 1.00 0.00 N ATOM 0 H LYS A 21 -13.786 1.025 10.478 1.00 0.00 H new ATOM 0 HA LYS A 21 -16.646 1.283 10.343 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.464 1.577 12.417 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -16.024 2.301 12.758 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -17.123 0.249 12.855 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -16.072 -0.496 11.668 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -14.239 -0.610 13.359 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -15.284 0.144 14.546 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -16.835 -1.731 14.510 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -16.071 -2.421 13.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -15.237 -3.655 14.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.994 -2.531 14.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -15.060 -2.314 15.857 1.00 0.00 H new ATOM 335 N GLU A 22 -14.938 3.981 9.908 1.00 0.00 N ATOM 336 CA GLU A 22 -15.072 5.366 9.459 1.00 0.00 C ATOM 337 C GLU A 22 -15.893 5.394 8.165 1.00 0.00 C ATOM 338 O GLU A 22 -17.050 5.801 8.178 1.00 0.00 O ATOM 339 CB GLU A 22 -13.691 6.015 9.238 1.00 0.00 C ATOM 340 CG GLU A 22 -12.849 6.259 10.500 1.00 0.00 C ATOM 341 CD GLU A 22 -12.844 7.729 10.916 1.00 0.00 C ATOM 342 OE1 GLU A 22 -12.072 8.522 10.319 1.00 0.00 O ATOM 343 OE2 GLU A 22 -13.640 8.121 11.798 1.00 0.00 O ATOM 0 H GLU A 22 -13.995 3.609 9.796 1.00 0.00 H new ATOM 0 HA GLU A 22 -15.584 5.942 10.230 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.118 5.381 8.561 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.837 6.970 8.733 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.239 5.653 11.318 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.825 5.931 10.321 1.00 0.00 H new ATOM 350 N MET A 23 -15.309 4.926 7.058 1.00 0.00 N ATOM 351 CA MET A 23 -15.792 5.140 5.694 1.00 0.00 C ATOM 352 C MET A 23 -16.819 4.071 5.301 1.00 0.00 C ATOM 353 O MET A 23 -17.357 4.091 4.196 1.00 0.00 O ATOM 354 CB MET A 23 -14.607 5.167 4.704 1.00 0.00 C ATOM 355 CG MET A 23 -13.447 6.078 5.145 1.00 0.00 C ATOM 356 SD MET A 23 -12.361 6.751 3.856 1.00 0.00 S ATOM 357 CE MET A 23 -11.676 5.210 3.240 1.00 0.00 C ATOM 0 H MET A 23 -14.456 4.368 7.090 1.00 0.00 H new ATOM 0 HA MET A 23 -16.293 6.107 5.653 1.00 0.00 H new ATOM 0 HB2 MET A 23 -14.230 4.152 4.575 1.00 0.00 H new ATOM 0 HB3 MET A 23 -14.967 5.499 3.730 1.00 0.00 H new ATOM 0 HG2 MET A 23 -13.871 6.917 5.697 1.00 0.00 H new ATOM 0 HG3 MET A 23 -12.828 5.517 5.845 1.00 0.00 H new ATOM 0 HE1 MET A 23 -10.786 5.419 2.646 1.00 0.00 H new ATOM 0 HE2 MET A 23 -11.409 4.569 4.080 1.00 0.00 H new ATOM 0 HE3 MET A 23 -12.416 4.705 2.620 1.00 0.00 H new ATOM 367 N THR A 24 -17.091 3.141 6.214 1.00 0.00 N ATOM 368 CA THR A 24 -17.955 1.987 6.076 1.00 0.00 C ATOM 369 C THR A 24 -17.484 1.030 4.982 1.00 0.00 C ATOM 370 O THR A 24 -18.143 0.842 3.956 1.00 0.00 O ATOM 371 CB THR A 24 -19.428 2.386 5.967 1.00 0.00 C ATOM 372 OG1 THR A 24 -19.720 3.431 6.878 1.00 0.00 O ATOM 373 CG2 THR A 24 -20.284 1.160 6.284 1.00 0.00 C ATOM 0 H THR A 24 -16.674 3.186 7.144 1.00 0.00 H new ATOM 0 HA THR A 24 -17.878 1.412 6.999 1.00 0.00 H new ATOM 0 HB THR A 24 -19.643 2.742 4.959 1.00 0.00 H new ATOM 0 HG1 THR A 24 -20.665 3.680 6.799 1.00 0.00 H new ATOM 0 HG21 THR A 24 -21.339 1.424 6.212 1.00 0.00 H new ATOM 0 HG22 THR A 24 -20.059 0.365 5.572 1.00 0.00 H new ATOM 0 HG23 THR A 24 -20.065 0.815 7.294 1.00 0.00 H new ATOM 381 N LEU A 25 -16.349 0.380 5.235 1.00 0.00 N ATOM 382 CA LEU A 25 -15.757 -0.585 4.316 1.00 0.00 C ATOM 383 C LEU A 25 -15.891 -1.974 4.934 1.00 0.00 C ATOM 384 O LEU A 25 -15.969 -2.115 6.157 1.00 0.00 O ATOM 385 CB LEU A 25 -14.305 -0.221 3.977 1.00 0.00 C ATOM 386 CG LEU A 25 -14.052 1.272 3.696 1.00 0.00 C ATOM 387 CD1 LEU A 25 -12.584 1.456 3.312 1.00 0.00 C ATOM 388 CD2 LEU A 25 -14.960 1.843 2.598 1.00 0.00 C ATOM 0 H LEU A 25 -15.811 0.511 6.092 1.00 0.00 H new ATOM 0 HA LEU A 25 -16.286 -0.572 3.363 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -13.667 -0.532 4.804 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -13.998 -0.796 3.103 1.00 0.00 H new ATOM 0 HG LEU A 25 -14.289 1.825 4.605 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -12.390 2.509 3.110 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.949 1.121 4.132 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -12.365 0.869 2.420 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -14.731 2.898 2.449 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -14.792 1.300 1.668 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -16.003 1.737 2.897 1.00 0.00 H new ATOM 400 N THR A 26 -15.976 -2.988 4.083 1.00 0.00 N ATOM 401 CA THR A 26 -16.595 -4.264 4.414 1.00 0.00 C ATOM 402 C THR A 26 -15.531 -5.269 4.851 1.00 0.00 C ATOM 403 O THR A 26 -14.329 -5.003 4.784 1.00 0.00 O ATOM 404 CB THR A 26 -17.441 -4.693 3.192 1.00 0.00 C ATOM 405 OG1 THR A 26 -16.630 -5.023 2.083 1.00 0.00 O ATOM 406 CG2 THR A 26 -18.356 -3.551 2.714 1.00 0.00 C ATOM 0 H THR A 26 -15.612 -2.946 3.131 1.00 0.00 H new ATOM 0 HA THR A 26 -17.267 -4.195 5.269 1.00 0.00 H new ATOM 0 HB THR A 26 -18.018 -5.555 3.527 1.00 0.00 H new ATOM 0 HG1 THR A 26 -17.198 -5.291 1.331 1.00 0.00 H new ATOM 0 HG21 THR A 26 -18.937 -3.886 1.854 1.00 0.00 H new ATOM 0 HG22 THR A 26 -19.032 -3.265 3.520 1.00 0.00 H new ATOM 0 HG23 THR A 26 -17.748 -2.692 2.429 1.00 0.00 H new ATOM 414 N ASP A 27 -15.944 -6.451 5.304 1.00 0.00 N ATOM 415 CA ASP A 27 -15.036 -7.531 5.587 1.00 0.00 C ATOM 416 C ASP A 27 -14.444 -8.112 4.317 1.00 0.00 C ATOM 417 O ASP A 27 -13.435 -8.805 4.402 1.00 0.00 O ATOM 418 CB ASP A 27 -15.772 -8.607 6.379 1.00 0.00 C ATOM 419 CG ASP A 27 -16.174 -9.856 5.583 1.00 0.00 C ATOM 420 OD1 ASP A 27 -17.266 -9.799 4.981 1.00 0.00 O ATOM 421 OD2 ASP A 27 -15.444 -10.874 5.591 1.00 0.00 O ATOM 0 H ASP A 27 -16.923 -6.675 5.482 1.00 0.00 H new ATOM 0 HA ASP A 27 -14.206 -7.143 6.178 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -15.140 -8.916 7.212 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -16.672 -8.166 6.808 1.00 0.00 H new ATOM 426 N ALA A 28 -15.032 -7.819 3.156 1.00 0.00 N ATOM 427 CA ALA A 28 -14.488 -8.304 1.911 1.00 0.00 C ATOM 428 C ALA A 28 -13.065 -7.778 1.716 1.00 0.00 C ATOM 429 O ALA A 28 -12.221 -8.520 1.231 1.00 0.00 O ATOM 430 CB ALA A 28 -15.401 -7.936 0.742 1.00 0.00 C ATOM 0 H ALA A 28 -15.876 -7.253 3.064 1.00 0.00 H new ATOM 0 HA ALA A 28 -14.436 -9.392 1.946 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -14.972 -8.311 -0.187 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -16.384 -8.382 0.894 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -15.499 -6.852 0.684 1.00 0.00 H new ATOM 436 N ILE A 29 -12.752 -6.554 2.163 1.00 0.00 N ATOM 437 CA ILE A 29 -11.392 -6.053 2.017 1.00 0.00 C ATOM 438 C ILE A 29 -10.419 -6.830 2.896 1.00 0.00 C ATOM 439 O ILE A 29 -9.265 -6.960 2.509 1.00 0.00 O ATOM 440 CB ILE A 29 -11.246 -4.535 2.230 1.00 0.00 C ATOM 441 CG1 ILE A 29 -11.246 -4.101 3.708 1.00 0.00 C ATOM 442 CG2 ILE A 29 -12.227 -3.755 1.343 1.00 0.00 C ATOM 443 CD1 ILE A 29 -11.343 -2.588 3.885 1.00 0.00 C ATOM 0 H ILE A 29 -13.405 -5.914 2.615 1.00 0.00 H new ATOM 0 HA ILE A 29 -11.135 -6.222 0.971 1.00 0.00 H new ATOM 0 HB ILE A 29 -10.243 -4.267 1.897 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -12.083 -4.576 4.220 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -10.335 -4.460 4.186 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -12.101 -2.686 1.514 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -12.028 -3.980 0.295 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -13.249 -4.044 1.589 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.338 -2.345 4.948 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.492 -2.110 3.400 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -12.268 -2.227 3.434 1.00 0.00 H new ATOM 455 N ASN A 30 -10.846 -7.373 4.046 1.00 0.00 N ATOM 456 CA ASN A 30 -9.967 -8.220 4.839 1.00 0.00 C ATOM 457 C ASN A 30 -9.575 -9.437 4.013 1.00 0.00 C ATOM 458 O ASN A 30 -8.451 -9.911 4.154 1.00 0.00 O ATOM 459 CB ASN A 30 -10.635 -8.691 6.141 1.00 0.00 C ATOM 460 CG ASN A 30 -10.365 -7.793 7.330 1.00 0.00 C ATOM 461 OD1 ASN A 30 -9.220 -7.492 7.651 1.00 0.00 O ATOM 462 ND2 ASN A 30 -11.402 -7.380 8.039 1.00 0.00 N ATOM 0 H ASN A 30 -11.779 -7.239 4.436 1.00 0.00 H new ATOM 0 HA ASN A 30 -9.090 -7.632 5.109 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -11.712 -8.754 5.983 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -10.287 -9.698 6.372 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -11.256 -6.802 8.867 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.348 -7.639 7.758 1.00 0.00 H new ATOM 469 N GLU A 31 -10.465 -9.938 3.149 1.00 0.00 N ATOM 470 CA GLU A 31 -10.131 -11.033 2.255 1.00 0.00 C ATOM 471 C GLU A 31 -9.112 -10.514 1.235 1.00 0.00 C ATOM 472 O GLU A 31 -8.144 -11.210 0.963 1.00 0.00 O ATOM 473 CB GLU A 31 -11.394 -11.637 1.589 1.00 0.00 C ATOM 474 CG GLU A 31 -11.458 -11.503 0.053 1.00 0.00 C ATOM 475 CD GLU A 31 -12.624 -12.234 -0.589 1.00 0.00 C ATOM 476 OE1 GLU A 31 -13.755 -12.209 -0.068 1.00 0.00 O ATOM 477 OE2 GLU A 31 -12.380 -12.900 -1.630 1.00 0.00 O ATOM 0 H GLU A 31 -11.422 -9.596 3.056 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.687 -11.855 2.816 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -11.450 -12.694 1.848 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -12.275 -11.157 2.016 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.520 -10.446 -0.206 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.528 -11.881 -0.372 1.00 0.00 H new ATOM 484 N ASP A 32 -9.313 -9.330 0.652 1.00 0.00 N ATOM 485 CA ASP A 32 -8.454 -8.787 -0.402 1.00 0.00 C ATOM 486 C ASP A 32 -7.043 -8.590 0.134 1.00 0.00 C ATOM 487 O ASP A 32 -6.085 -8.977 -0.521 1.00 0.00 O ATOM 488 CB ASP A 32 -8.970 -7.434 -0.893 1.00 0.00 C ATOM 489 CG ASP A 32 -9.939 -7.509 -2.065 1.00 0.00 C ATOM 490 OD1 ASP A 32 -11.162 -7.622 -1.843 1.00 0.00 O ATOM 491 OD2 ASP A 32 -9.485 -7.332 -3.219 1.00 0.00 O ATOM 0 H ASP A 32 -10.087 -8.714 0.902 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.457 -9.496 -1.230 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.463 -6.926 -0.064 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.118 -6.819 -1.183 1.00 0.00 H new ATOM 496 N PHE A 33 -6.906 -7.979 1.313 1.00 0.00 N ATOM 497 CA PHE A 33 -5.636 -7.746 1.988 1.00 0.00 C ATOM 498 C PHE A 33 -4.986 -9.061 2.390 1.00 0.00 C ATOM 499 O PHE A 33 -3.777 -9.209 2.207 1.00 0.00 O ATOM 500 CB PHE A 33 -5.865 -6.874 3.236 1.00 0.00 C ATOM 501 CG PHE A 33 -6.001 -5.387 2.960 1.00 0.00 C ATOM 502 CD1 PHE A 33 -4.879 -4.638 2.561 1.00 0.00 C ATOM 503 CD2 PHE A 33 -7.234 -4.734 3.126 1.00 0.00 C ATOM 504 CE1 PHE A 33 -5.001 -3.257 2.326 1.00 0.00 C ATOM 505 CE2 PHE A 33 -7.376 -3.377 2.804 1.00 0.00 C ATOM 506 CZ PHE A 33 -6.253 -2.627 2.434 1.00 0.00 C ATOM 0 H PHE A 33 -7.705 -7.623 1.838 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.968 -7.230 1.299 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -6.767 -7.219 3.742 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -5.035 -7.026 3.925 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -3.923 -5.124 2.435 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -8.082 -5.284 3.506 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.129 -2.678 2.061 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -8.350 -2.911 2.841 1.00 0.00 H new ATOM 0 HZ PHE A 33 -6.348 -1.570 2.233 1.00 0.00 H new ATOM 516 N TYR A 34 -5.736 -10.007 2.955 1.00 0.00 N ATOM 517 CA TYR A 34 -5.202 -11.295 3.349 1.00 0.00 C ATOM 518 C TYR A 34 -4.703 -12.054 2.120 1.00 0.00 C ATOM 519 O TYR A 34 -3.542 -12.452 2.053 1.00 0.00 O ATOM 520 CB TYR A 34 -6.309 -12.054 4.084 1.00 0.00 C ATOM 521 CG TYR A 34 -5.956 -13.457 4.504 1.00 0.00 C ATOM 522 CD1 TYR A 34 -4.736 -13.723 5.150 1.00 0.00 C ATOM 523 CD2 TYR A 34 -6.867 -14.495 4.250 1.00 0.00 C ATOM 524 CE1 TYR A 34 -4.410 -15.037 5.524 1.00 0.00 C ATOM 525 CE2 TYR A 34 -6.565 -15.803 4.655 1.00 0.00 C ATOM 526 CZ TYR A 34 -5.325 -16.084 5.276 1.00 0.00 C ATOM 527 OH TYR A 34 -5.002 -17.363 5.610 1.00 0.00 O ATOM 0 H TYR A 34 -6.731 -9.894 3.149 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.347 -11.179 4.015 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.589 -11.486 4.971 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -7.188 -12.095 3.441 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -4.049 -12.916 5.359 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.798 -14.286 3.744 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -3.463 -15.246 5.999 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.279 -16.597 4.493 1.00 0.00 H new ATOM 0 HH TYR A 34 -5.742 -17.960 5.373 1.00 0.00 H new ATOM 537 N ASN A 35 -5.571 -12.218 1.123 1.00 0.00 N ATOM 538 CA ASN A 35 -5.279 -12.941 -0.104 1.00 0.00 C ATOM 539 C ASN A 35 -4.409 -12.121 -1.062 1.00 0.00 C ATOM 540 O ASN A 35 -4.140 -12.613 -2.148 1.00 0.00 O ATOM 541 CB ASN A 35 -6.561 -13.315 -0.863 1.00 0.00 C ATOM 542 CG ASN A 35 -7.519 -14.247 -0.141 1.00 0.00 C ATOM 543 OD1 ASN A 35 -7.197 -15.397 0.148 1.00 0.00 O ATOM 544 ND2 ASN A 35 -8.734 -13.783 0.082 1.00 0.00 N ATOM 0 H ASN A 35 -6.518 -11.841 1.151 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.747 -13.839 0.210 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -7.095 -12.397 -1.107 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.277 -13.780 -1.807 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -9.440 -14.385 0.507 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -8.967 -12.823 -0.170 1.00 0.00 H new ATOM 551 N PHE A 36 -3.980 -10.897 -0.742 1.00 0.00 N ATOM 552 CA PHE A 36 -3.283 -10.008 -1.682 1.00 0.00 C ATOM 553 C PHE A 36 -2.107 -10.743 -2.347 1.00 0.00 C ATOM 554 O PHE A 36 -1.908 -10.654 -3.561 1.00 0.00 O ATOM 555 CB PHE A 36 -2.858 -8.737 -0.918 1.00 0.00 C ATOM 556 CG PHE A 36 -2.074 -7.674 -1.669 1.00 0.00 C ATOM 557 CD1 PHE A 36 -0.739 -7.915 -2.036 1.00 0.00 C ATOM 558 CD2 PHE A 36 -2.631 -6.397 -1.899 1.00 0.00 C ATOM 559 CE1 PHE A 36 0.033 -6.889 -2.595 1.00 0.00 C ATOM 560 CE2 PHE A 36 -1.842 -5.363 -2.442 1.00 0.00 C ATOM 561 CZ PHE A 36 -0.494 -5.606 -2.760 1.00 0.00 C ATOM 0 H PHE A 36 -4.107 -10.490 0.184 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.940 -9.707 -2.498 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.760 -8.269 -0.524 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.260 -9.048 -0.061 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.307 -8.894 -1.887 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.667 -6.212 -1.658 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.048 -7.092 -2.902 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.271 -4.387 -2.613 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.130 -4.806 -3.129 1.00 0.00 H new ATOM 571 N TRP A 37 -1.366 -11.520 -1.554 1.00 0.00 N ATOM 572 CA TRP A 37 -0.194 -12.279 -1.973 1.00 0.00 C ATOM 573 C TRP A 37 -0.509 -13.636 -2.630 1.00 0.00 C ATOM 574 O TRP A 37 0.428 -14.395 -2.898 1.00 0.00 O ATOM 575 CB TRP A 37 0.743 -12.414 -0.760 1.00 0.00 C ATOM 576 CG TRP A 37 1.183 -11.104 -0.176 1.00 0.00 C ATOM 577 CD1 TRP A 37 0.960 -10.669 1.083 1.00 0.00 C ATOM 578 CD2 TRP A 37 1.889 -10.023 -0.845 1.00 0.00 C ATOM 579 NE1 TRP A 37 1.479 -9.397 1.230 1.00 0.00 N ATOM 580 CE2 TRP A 37 2.054 -8.938 0.064 1.00 0.00 C ATOM 581 CE3 TRP A 37 2.364 -9.840 -2.155 1.00 0.00 C ATOM 582 CZ2 TRP A 37 2.666 -7.728 -0.314 1.00 0.00 C ATOM 583 CZ3 TRP A 37 3.008 -8.656 -2.536 1.00 0.00 C ATOM 584 CH2 TRP A 37 3.155 -7.601 -1.627 1.00 0.00 C ATOM 0 H TRP A 37 -1.578 -11.640 -0.563 1.00 0.00 H new ATOM 0 HA TRP A 37 0.298 -11.727 -2.773 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.237 -12.993 0.013 1.00 0.00 H new ATOM 0 HB3 TRP A 37 1.625 -12.981 -1.057 1.00 0.00 H new ATOM 0 HD1 TRP A 37 0.454 -11.229 1.856 1.00 0.00 H new ATOM 0 HE1 TRP A 37 1.441 -8.862 2.097 1.00 0.00 H new ATOM 0 HE3 TRP A 37 2.230 -10.627 -2.882 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.758 -6.914 0.390 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 3.395 -8.556 -3.539 1.00 0.00 H new ATOM 0 HH2 TRP A 37 3.644 -6.689 -1.934 1.00 0.00 H new ATOM 595 N LYS A 38 -1.776 -13.973 -2.929 1.00 0.00 N ATOM 596 CA LYS A 38 -2.131 -15.200 -3.606 1.00 0.00 C ATOM 597 C LYS A 38 -1.481 -15.212 -4.980 1.00 0.00 C ATOM 598 O LYS A 38 -1.068 -14.186 -5.526 1.00 0.00 O ATOM 599 CB LYS A 38 -3.656 -15.282 -3.754 1.00 0.00 C ATOM 600 CG LYS A 38 -4.318 -16.251 -2.771 1.00 0.00 C ATOM 601 CD LYS A 38 -5.704 -16.674 -3.268 1.00 0.00 C ATOM 602 CE LYS A 38 -6.436 -17.465 -2.184 1.00 0.00 C ATOM 603 NZ LYS A 38 -7.812 -17.822 -2.579 1.00 0.00 N ATOM 0 H LYS A 38 -2.578 -13.386 -2.699 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.782 -16.056 -3.028 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.080 -14.288 -3.612 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.898 -15.589 -4.772 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.689 -17.132 -2.643 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.407 -15.778 -1.793 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.285 -15.793 -3.540 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.606 -17.281 -4.168 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.877 -18.374 -1.962 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.465 -16.877 -1.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.266 -18.357 -1.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.356 -16.955 -2.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.786 -18.406 -3.439 1.00 0.00 H new ATOM 617 N GLU A 39 -1.490 -16.379 -5.590 1.00 0.00 N ATOM 618 CA GLU A 39 -0.755 -16.683 -6.804 1.00 0.00 C ATOM 619 C GLU A 39 -1.514 -16.337 -8.090 1.00 0.00 C ATOM 620 O GLU A 39 -1.482 -17.066 -9.085 1.00 0.00 O ATOM 621 CB GLU A 39 -0.182 -18.086 -6.726 1.00 0.00 C ATOM 622 CG GLU A 39 -1.249 -19.157 -6.849 1.00 0.00 C ATOM 623 CD GLU A 39 -2.038 -19.422 -5.571 1.00 0.00 C ATOM 624 OE1 GLU A 39 -3.044 -18.714 -5.325 1.00 0.00 O ATOM 625 OE2 GLU A 39 -1.707 -20.367 -4.830 1.00 0.00 O ATOM 0 H GLU A 39 -2.029 -17.172 -5.242 1.00 0.00 H new ATOM 0 HA GLU A 39 0.101 -16.012 -6.871 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.554 -18.219 -7.519 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.343 -18.208 -5.779 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.945 -18.868 -7.636 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.776 -20.086 -7.167 1.00 0.00 H new ATOM 632 N GLY A 40 -2.194 -15.198 -8.067 1.00 0.00 N ATOM 633 CA GLY A 40 -2.830 -14.597 -9.226 1.00 0.00 C ATOM 634 C GLY A 40 -4.176 -13.947 -8.923 1.00 0.00 C ATOM 635 O GLY A 40 -4.908 -13.640 -9.865 1.00 0.00 O ATOM 0 H GLY A 40 -2.320 -14.653 -7.214 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.161 -13.846 -9.647 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.971 -15.362 -9.989 1.00 0.00 H new ATOM 639 N TYR A 41 -4.518 -13.758 -7.648 1.00 0.00 N ATOM 640 CA TYR A 41 -5.741 -13.090 -7.212 1.00 0.00 C ATOM 641 C TYR A 41 -5.828 -11.696 -7.842 1.00 0.00 C ATOM 642 O TYR A 41 -4.827 -10.977 -7.913 1.00 0.00 O ATOM 643 CB TYR A 41 -5.728 -13.043 -5.674 1.00 0.00 C ATOM 644 CG TYR A 41 -6.894 -12.371 -4.963 1.00 0.00 C ATOM 645 CD1 TYR A 41 -7.090 -10.976 -5.028 1.00 0.00 C ATOM 646 CD2 TYR A 41 -7.733 -13.142 -4.138 1.00 0.00 C ATOM 647 CE1 TYR A 41 -8.120 -10.374 -4.277 1.00 0.00 C ATOM 648 CE2 TYR A 41 -8.752 -12.543 -3.382 1.00 0.00 C ATOM 649 CZ TYR A 41 -8.972 -11.156 -3.470 1.00 0.00 C ATOM 650 OH TYR A 41 -10.026 -10.589 -2.827 1.00 0.00 O ATOM 0 H TYR A 41 -3.936 -14.074 -6.872 1.00 0.00 H new ATOM 0 HA TYR A 41 -6.628 -13.633 -7.538 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -5.663 -14.069 -5.311 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -4.814 -12.537 -5.365 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -6.451 -10.369 -5.653 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -7.591 -14.211 -4.086 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -8.258 -9.304 -4.320 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -9.368 -13.147 -2.732 1.00 0.00 H new ATOM 0 HH TYR A 41 -10.637 -11.290 -2.519 1.00 0.00 H new ATOM 660 N GLU A 42 -7.028 -11.281 -8.250 1.00 0.00 N ATOM 661 CA GLU A 42 -7.312 -9.929 -8.704 1.00 0.00 C ATOM 662 C GLU A 42 -8.148 -9.177 -7.667 1.00 0.00 C ATOM 663 O GLU A 42 -9.143 -9.678 -7.148 1.00 0.00 O ATOM 664 CB GLU A 42 -7.973 -9.964 -10.091 1.00 0.00 C ATOM 665 CG GLU A 42 -8.507 -8.588 -10.494 1.00 0.00 C ATOM 666 CD GLU A 42 -8.676 -8.369 -12.000 1.00 0.00 C ATOM 667 OE1 GLU A 42 -9.607 -8.933 -12.616 1.00 0.00 O ATOM 668 OE2 GLU A 42 -7.891 -7.565 -12.567 1.00 0.00 O ATOM 0 H GLU A 42 -7.844 -11.893 -8.273 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.378 -9.378 -8.809 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.249 -10.305 -10.831 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.790 -10.686 -10.087 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.472 -8.435 -10.010 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.831 -7.826 -10.106 1.00 0.00 H new ATOM 675 N ILE A 43 -7.737 -7.941 -7.410 1.00 0.00 N ATOM 676 CA ILE A 43 -8.271 -7.011 -6.441 1.00 0.00 C ATOM 677 C ILE A 43 -9.216 -6.143 -7.255 1.00 0.00 C ATOM 678 O ILE A 43 -8.759 -5.420 -8.146 1.00 0.00 O ATOM 679 CB ILE A 43 -7.095 -6.208 -5.822 1.00 0.00 C ATOM 680 CG1 ILE A 43 -6.190 -7.121 -4.961 1.00 0.00 C ATOM 681 CG2 ILE A 43 -7.601 -5.032 -4.969 1.00 0.00 C ATOM 682 CD1 ILE A 43 -4.814 -6.511 -4.664 1.00 0.00 C ATOM 0 H ILE A 43 -6.954 -7.536 -7.922 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.795 -7.472 -5.604 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.511 -5.809 -6.651 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.695 -7.336 -4.019 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.054 -8.073 -5.474 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -6.751 -4.493 -4.552 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.189 -4.357 -5.592 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.223 -5.412 -4.158 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.232 -7.204 -4.057 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.290 -6.322 -5.601 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.941 -5.573 -4.123 1.00 0.00 H new ATOM 694 N LYS A 44 -10.524 -6.230 -7.011 1.00 0.00 N ATOM 695 CA LYS A 44 -11.496 -5.345 -7.657 1.00 0.00 C ATOM 696 C LYS A 44 -12.425 -4.662 -6.658 1.00 0.00 C ATOM 697 O LYS A 44 -13.319 -3.913 -7.060 1.00 0.00 O ATOM 698 CB LYS A 44 -12.259 -6.073 -8.773 1.00 0.00 C ATOM 699 CG LYS A 44 -11.375 -6.142 -10.025 1.00 0.00 C ATOM 700 CD LYS A 44 -12.026 -6.851 -11.209 1.00 0.00 C ATOM 701 CE LYS A 44 -12.317 -8.321 -10.895 1.00 0.00 C ATOM 702 NZ LYS A 44 -12.326 -9.155 -12.110 1.00 0.00 N ATOM 0 H LYS A 44 -10.937 -6.906 -6.369 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.932 -4.540 -8.128 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.531 -7.078 -8.449 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.188 -5.548 -8.997 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.108 -5.129 -10.324 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -10.447 -6.655 -9.774 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -12.954 -6.344 -11.472 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.371 -6.787 -12.078 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.566 -8.699 -10.202 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -13.282 -8.400 -10.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.658 -10.111 -11.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.962 -8.733 -12.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -11.364 -9.210 -12.500 1.00 0.00 H new ATOM 716 N ASN A 45 -12.213 -4.852 -5.355 1.00 0.00 N ATOM 717 CA ASN A 45 -12.850 -4.019 -4.348 1.00 0.00 C ATOM 718 C ASN A 45 -12.303 -2.606 -4.513 1.00 0.00 C ATOM 719 O ASN A 45 -11.184 -2.323 -4.086 1.00 0.00 O ATOM 720 CB ASN A 45 -12.561 -4.521 -2.923 1.00 0.00 C ATOM 721 CG ASN A 45 -13.762 -5.156 -2.262 1.00 0.00 C ATOM 722 OD1 ASN A 45 -14.823 -4.543 -2.187 1.00 0.00 O ATOM 723 ND2 ASN A 45 -13.625 -6.345 -1.718 1.00 0.00 N ATOM 0 H ASN A 45 -11.604 -5.578 -4.977 1.00 0.00 H new ATOM 0 HA ASN A 45 -13.931 -4.049 -4.486 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -11.748 -5.246 -2.958 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -12.218 -3.686 -2.313 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -14.408 -6.773 -1.224 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -12.736 -6.840 -1.790 1.00 0.00 H new ATOM 730 N ARG A 46 -13.089 -1.673 -5.053 1.00 0.00 N ATOM 731 CA ARG A 46 -12.752 -0.259 -4.981 1.00 0.00 C ATOM 732 C ARG A 46 -12.601 0.167 -3.511 1.00 0.00 C ATOM 733 O ARG A 46 -11.818 1.072 -3.217 1.00 0.00 O ATOM 734 CB ARG A 46 -13.839 0.508 -5.759 1.00 0.00 C ATOM 735 CG ARG A 46 -13.824 2.006 -5.476 1.00 0.00 C ATOM 736 CD ARG A 46 -15.014 2.725 -6.120 1.00 0.00 C ATOM 737 NE ARG A 46 -15.006 4.152 -5.779 1.00 0.00 N ATOM 738 CZ ARG A 46 -15.278 4.681 -4.583 1.00 0.00 C ATOM 739 NH1 ARG A 46 -15.678 3.915 -3.575 1.00 0.00 N ATOM 740 NH2 ARG A 46 -15.124 5.985 -4.428 1.00 0.00 N ATOM 0 H ARG A 46 -13.960 -1.875 -5.543 1.00 0.00 H new ATOM 0 HA ARG A 46 -11.790 -0.033 -5.441 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.699 0.344 -6.827 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -14.818 0.104 -5.500 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.841 2.171 -4.399 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -12.895 2.436 -5.850 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -14.975 2.605 -7.203 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -15.946 2.271 -5.782 1.00 0.00 H new ATOM 0 HE ARG A 46 -14.770 4.803 -6.528 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -15.781 2.909 -3.709 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -15.882 4.332 -2.667 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -14.806 6.557 -5.210 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -15.324 6.419 -3.527 1.00 0.00 H new ATOM 754 N GLU A 47 -13.293 -0.510 -2.587 1.00 0.00 N ATOM 755 CA GLU A 47 -13.158 -0.282 -1.154 1.00 0.00 C ATOM 756 C GLU A 47 -11.708 -0.483 -0.701 1.00 0.00 C ATOM 757 O GLU A 47 -11.261 0.269 0.165 1.00 0.00 O ATOM 758 CB GLU A 47 -14.114 -1.192 -0.345 1.00 0.00 C ATOM 759 CG GLU A 47 -15.607 -1.080 -0.706 1.00 0.00 C ATOM 760 CD GLU A 47 -16.277 0.292 -0.511 1.00 0.00 C ATOM 761 OE1 GLU A 47 -15.748 1.316 -0.998 1.00 0.00 O ATOM 762 OE2 GLU A 47 -17.415 0.330 0.010 1.00 0.00 O ATOM 0 H GLU A 47 -13.968 -1.238 -2.822 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.437 0.753 -0.959 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.803 -2.228 -0.482 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.997 -0.961 0.714 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -15.724 -1.368 -1.751 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -16.154 -1.811 -0.111 1.00 0.00 H new ATOM 769 N THR A 48 -10.947 -1.436 -1.265 1.00 0.00 N ATOM 770 CA THR A 48 -9.576 -1.625 -0.820 1.00 0.00 C ATOM 771 C THR A 48 -8.761 -0.429 -1.272 1.00 0.00 C ATOM 772 O THR A 48 -7.979 0.078 -0.486 1.00 0.00 O ATOM 773 CB THR A 48 -8.918 -2.931 -1.276 1.00 0.00 C ATOM 774 OG1 THR A 48 -8.536 -2.912 -2.631 1.00 0.00 O ATOM 775 CG2 THR A 48 -9.697 -4.206 -1.006 1.00 0.00 C ATOM 0 H THR A 48 -11.255 -2.065 -2.007 1.00 0.00 H new ATOM 0 HA THR A 48 -9.605 -1.705 0.267 1.00 0.00 H new ATOM 0 HB THR A 48 -8.036 -2.966 -0.636 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.321 -2.731 -3.190 1.00 0.00 H new ATOM 0 HG21 THR A 48 -9.131 -5.063 -1.373 1.00 0.00 H new ATOM 0 HG22 THR A 48 -9.861 -4.312 0.066 1.00 0.00 H new ATOM 0 HG23 THR A 48 -10.658 -4.160 -1.518 1.00 0.00 H new ATOM 783 N GLY A 49 -8.976 0.077 -2.487 1.00 0.00 N ATOM 784 CA GLY A 49 -8.299 1.260 -2.983 1.00 0.00 C ATOM 785 C GLY A 49 -8.425 2.424 -1.999 1.00 0.00 C ATOM 786 O GLY A 49 -7.424 3.037 -1.622 1.00 0.00 O ATOM 0 H GLY A 49 -9.631 -0.331 -3.154 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -7.246 1.035 -3.152 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -8.722 1.547 -3.946 1.00 0.00 H new ATOM 790 N CYS A 50 -9.641 2.688 -1.509 1.00 0.00 N ATOM 791 CA CYS A 50 -9.835 3.729 -0.506 1.00 0.00 C ATOM 792 C CYS A 50 -9.260 3.354 0.861 1.00 0.00 C ATOM 793 O CYS A 50 -8.723 4.223 1.545 1.00 0.00 O ATOM 794 CB CYS A 50 -11.300 4.172 -0.409 1.00 0.00 C ATOM 795 SG CYS A 50 -11.438 5.898 -0.937 1.00 0.00 S ATOM 0 H CYS A 50 -10.492 2.200 -1.789 1.00 0.00 H new ATOM 0 HA CYS A 50 -9.262 4.589 -0.852 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -11.926 3.537 -1.035 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -11.658 4.063 0.615 1.00 0.00 H new ATOM 800 N ALA A 51 -9.323 2.084 1.267 1.00 0.00 N ATOM 801 CA ALA A 51 -8.710 1.626 2.506 1.00 0.00 C ATOM 802 C ALA A 51 -7.195 1.844 2.475 1.00 0.00 C ATOM 803 O ALA A 51 -6.649 2.431 3.408 1.00 0.00 O ATOM 804 CB ALA A 51 -9.038 0.154 2.748 1.00 0.00 C ATOM 0 H ALA A 51 -9.800 1.349 0.744 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.119 2.212 3.329 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -8.573 -0.174 3.678 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -10.118 0.029 2.819 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.657 -0.445 1.921 1.00 0.00 H new ATOM 810 N ILE A 52 -6.526 1.389 1.415 1.00 0.00 N ATOM 811 CA ILE A 52 -5.104 1.537 1.134 1.00 0.00 C ATOM 812 C ILE A 52 -4.752 3.031 1.178 1.00 0.00 C ATOM 813 O ILE A 52 -3.768 3.405 1.822 1.00 0.00 O ATOM 814 CB ILE A 52 -4.758 0.840 -0.218 1.00 0.00 C ATOM 815 CG1 ILE A 52 -4.910 -0.697 -0.136 1.00 0.00 C ATOM 816 CG2 ILE A 52 -3.319 1.131 -0.657 1.00 0.00 C ATOM 817 CD1 ILE A 52 -4.803 -1.456 -1.469 1.00 0.00 C ATOM 0 H ILE A 52 -7.003 0.869 0.678 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.491 1.041 1.887 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.465 1.248 -0.941 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.148 -1.082 0.541 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.878 -0.923 0.312 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.118 0.627 -1.603 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.187 2.206 -0.783 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.626 0.767 0.102 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.925 -2.524 -1.290 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.583 -1.111 -2.148 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.826 -1.272 -1.915 1.00 0.00 H new ATOM 829 N MET A 53 -5.546 3.898 0.541 1.00 0.00 N ATOM 830 CA MET A 53 -5.336 5.344 0.565 1.00 0.00 C ATOM 831 C MET A 53 -5.407 5.880 1.997 1.00 0.00 C ATOM 832 O MET A 53 -4.461 6.531 2.449 1.00 0.00 O ATOM 833 CB MET A 53 -6.343 6.024 -0.373 1.00 0.00 C ATOM 834 CG MET A 53 -6.024 7.505 -0.581 1.00 0.00 C ATOM 835 SD MET A 53 -6.997 8.626 0.453 1.00 0.00 S ATOM 836 CE MET A 53 -8.625 8.257 -0.246 1.00 0.00 C ATOM 0 H MET A 53 -6.356 3.612 -0.008 1.00 0.00 H new ATOM 0 HA MET A 53 -4.335 5.576 0.201 1.00 0.00 H new ATOM 0 HB2 MET A 53 -6.342 5.514 -1.337 1.00 0.00 H new ATOM 0 HB3 MET A 53 -7.347 5.924 0.039 1.00 0.00 H new ATOM 0 HG2 MET A 53 -4.966 7.669 -0.379 1.00 0.00 H new ATOM 0 HG3 MET A 53 -6.191 7.757 -1.628 1.00 0.00 H new ATOM 0 HE1 MET A 53 -9.261 9.139 -0.172 1.00 0.00 H new ATOM 0 HE2 MET A 53 -8.516 7.975 -1.293 1.00 0.00 H new ATOM 0 HE3 MET A 53 -9.080 7.434 0.305 1.00 0.00 H new ATOM 846 N CYS A 54 -6.476 5.543 2.734 1.00 0.00 N ATOM 847 CA CYS A 54 -6.632 5.912 4.136 1.00 0.00 C ATOM 848 C CYS A 54 -5.386 5.518 4.923 1.00 0.00 C ATOM 849 O CYS A 54 -4.826 6.360 5.622 1.00 0.00 O ATOM 850 CB CYS A 54 -7.899 5.299 4.763 1.00 0.00 C ATOM 851 SG CYS A 54 -7.965 5.512 6.558 1.00 0.00 S ATOM 0 H CYS A 54 -7.258 5.003 2.365 1.00 0.00 H new ATOM 0 HA CYS A 54 -6.753 6.994 4.182 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -8.780 5.758 4.314 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -7.938 4.236 4.526 1.00 0.00 H new ATOM 856 N LEU A 55 -4.951 4.255 4.809 1.00 0.00 N ATOM 857 CA LEU A 55 -3.805 3.739 5.547 1.00 0.00 C ATOM 858 C LEU A 55 -2.601 4.638 5.302 1.00 0.00 C ATOM 859 O LEU A 55 -2.049 5.151 6.267 1.00 0.00 O ATOM 860 CB LEU A 55 -3.480 2.276 5.197 1.00 0.00 C ATOM 861 CG LEU A 55 -4.492 1.220 5.675 1.00 0.00 C ATOM 862 CD1 LEU A 55 -4.061 -0.173 5.212 1.00 0.00 C ATOM 863 CD2 LEU A 55 -4.726 1.242 7.190 1.00 0.00 C ATOM 0 H LEU A 55 -5.390 3.566 4.199 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.060 3.746 6.607 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.388 2.196 4.114 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.505 2.032 5.619 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.449 1.475 5.219 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.785 -0.911 5.557 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.010 -0.195 4.123 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.080 -0.407 5.626 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.450 0.472 7.458 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.785 1.050 7.706 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.109 2.219 7.485 1.00 0.00 H new ATOM 875 N SER A 56 -2.210 4.896 4.051 1.00 0.00 N ATOM 876 CA SER A 56 -1.070 5.768 3.776 1.00 0.00 C ATOM 877 C SER A 56 -1.194 7.113 4.479 1.00 0.00 C ATOM 878 O SER A 56 -0.247 7.512 5.153 1.00 0.00 O ATOM 879 CB SER A 56 -0.886 5.967 2.278 1.00 0.00 C ATOM 880 OG SER A 56 -0.491 4.730 1.732 1.00 0.00 O ATOM 0 H SER A 56 -2.663 4.516 3.220 1.00 0.00 H new ATOM 0 HA SER A 56 -0.186 5.270 4.175 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.814 6.310 1.820 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.133 6.730 2.082 1.00 0.00 H new ATOM 0 HG SER A 56 -0.365 4.825 0.765 1.00 0.00 H new ATOM 886 N THR A 57 -2.336 7.791 4.380 1.00 0.00 N ATOM 887 CA THR A 57 -2.517 9.039 5.101 1.00 0.00 C ATOM 888 C THR A 57 -2.364 8.839 6.620 1.00 0.00 C ATOM 889 O THR A 57 -1.717 9.651 7.275 1.00 0.00 O ATOM 890 CB THR A 57 -3.840 9.693 4.670 1.00 0.00 C ATOM 891 OG1 THR A 57 -3.487 10.826 3.913 1.00 0.00 O ATOM 892 CG2 THR A 57 -4.695 10.130 5.851 1.00 0.00 C ATOM 0 H THR A 57 -3.135 7.500 3.816 1.00 0.00 H new ATOM 0 HA THR A 57 -1.725 9.741 4.840 1.00 0.00 H new ATOM 0 HB THR A 57 -4.435 8.972 4.109 1.00 0.00 H new ATOM 0 HG1 THR A 57 -4.299 11.283 3.609 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.616 10.585 5.485 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.938 9.263 6.465 1.00 0.00 H new ATOM 0 HG23 THR A 57 -4.145 10.856 6.450 1.00 0.00 H new ATOM 900 N LYS A 58 -2.910 7.768 7.204 1.00 0.00 N ATOM 901 CA LYS A 58 -2.792 7.497 8.633 1.00 0.00 C ATOM 902 C LYS A 58 -1.320 7.344 9.047 1.00 0.00 C ATOM 903 O LYS A 58 -0.946 7.817 10.120 1.00 0.00 O ATOM 904 CB LYS A 58 -3.670 6.306 9.009 1.00 0.00 C ATOM 905 CG LYS A 58 -5.173 6.625 8.823 1.00 0.00 C ATOM 906 CD LYS A 58 -5.995 6.276 10.067 1.00 0.00 C ATOM 907 CE LYS A 58 -7.324 7.036 10.142 1.00 0.00 C ATOM 908 NZ LYS A 58 -7.352 7.964 11.293 1.00 0.00 N ATOM 0 H LYS A 58 -3.446 7.066 6.695 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.163 8.349 9.202 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.401 5.447 8.395 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.482 6.028 10.046 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.293 7.684 8.596 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.558 6.070 7.968 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.195 5.205 10.074 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.407 6.496 10.958 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.478 7.595 9.219 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.147 6.326 10.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.265 8.462 11.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.230 7.427 12.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.582 8.656 11.200 1.00 0.00 H new ATOM 922 N LEU A 59 -0.458 6.769 8.192 1.00 0.00 N ATOM 923 CA LEU A 59 0.992 6.704 8.420 1.00 0.00 C ATOM 924 C LEU A 59 1.687 8.047 8.153 1.00 0.00 C ATOM 925 O LEU A 59 2.892 8.152 8.387 1.00 0.00 O ATOM 926 CB LEU A 59 1.665 5.621 7.545 1.00 0.00 C ATOM 927 CG LEU A 59 1.447 4.143 7.916 1.00 0.00 C ATOM 928 CD1 LEU A 59 1.490 3.858 9.418 1.00 0.00 C ATOM 929 CD2 LEU A 59 0.155 3.563 7.363 1.00 0.00 C ATOM 0 H LEU A 59 -0.752 6.334 7.318 1.00 0.00 H new ATOM 0 HA LEU A 59 1.109 6.447 9.473 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.321 5.761 6.520 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.738 5.810 7.549 1.00 0.00 H new ATOM 0 HG LEU A 59 2.298 3.652 7.444 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.327 2.794 9.591 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.463 4.146 9.815 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.710 4.431 9.919 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.067 2.519 7.663 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.693 4.126 7.754 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.163 3.628 6.275 1.00 0.00 H new ATOM 941 N ASN A 60 0.954 9.053 7.674 1.00 0.00 N ATOM 942 CA ASN A 60 1.392 10.342 7.146 1.00 0.00 C ATOM 943 C ASN A 60 2.262 10.193 5.891 1.00 0.00 C ATOM 944 O ASN A 60 3.274 10.869 5.733 1.00 0.00 O ATOM 945 CB ASN A 60 2.005 11.218 8.250 1.00 0.00 C ATOM 946 CG ASN A 60 2.163 12.662 7.788 1.00 0.00 C ATOM 947 OD1 ASN A 60 1.173 13.374 7.665 1.00 0.00 O ATOM 948 ND2 ASN A 60 3.381 13.122 7.554 1.00 0.00 N ATOM 0 H ASN A 60 -0.063 8.975 7.644 1.00 0.00 H new ATOM 0 HA ASN A 60 0.512 10.884 6.800 1.00 0.00 H new ATOM 0 HB2 ASN A 60 1.372 11.185 9.137 1.00 0.00 H new ATOM 0 HB3 ASN A 60 2.977 10.817 8.537 1.00 0.00 H new ATOM 0 HD21 ASN A 60 3.513 14.091 7.264 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.188 12.508 7.664 1.00 0.00 H new ATOM 955 N MET A 61 1.890 9.288 4.980 1.00 0.00 N ATOM 956 CA MET A 61 2.647 9.084 3.734 1.00 0.00 C ATOM 957 C MET A 61 2.183 9.998 2.603 1.00 0.00 C ATOM 958 O MET A 61 2.799 9.966 1.538 1.00 0.00 O ATOM 959 CB MET A 61 2.642 7.619 3.258 1.00 0.00 C ATOM 960 CG MET A 61 3.713 6.776 3.949 1.00 0.00 C ATOM 961 SD MET A 61 4.372 5.430 2.925 1.00 0.00 S ATOM 962 CE MET A 61 4.710 4.199 4.208 1.00 0.00 C ATOM 0 H MET A 61 1.073 8.686 5.078 1.00 0.00 H new ATOM 0 HA MET A 61 3.673 9.351 3.988 1.00 0.00 H new ATOM 0 HB2 MET A 61 1.662 7.182 3.448 1.00 0.00 H new ATOM 0 HB3 MET A 61 2.801 7.590 2.180 1.00 0.00 H new ATOM 0 HG2 MET A 61 4.535 7.426 4.248 1.00 0.00 H new ATOM 0 HG3 MET A 61 3.294 6.352 4.861 1.00 0.00 H new ATOM 0 HE1 MET A 61 5.584 3.611 3.927 1.00 0.00 H new ATOM 0 HE2 MET A 61 4.901 4.704 5.155 1.00 0.00 H new ATOM 0 HE3 MET A 61 3.849 3.540 4.315 1.00 0.00 H new ATOM 972 N LEU A 62 1.145 10.810 2.800 1.00 0.00 N ATOM 973 CA LEU A 62 0.753 11.832 1.844 1.00 0.00 C ATOM 974 C LEU A 62 1.238 13.155 2.412 1.00 0.00 C ATOM 975 O LEU A 62 0.982 13.482 3.569 1.00 0.00 O ATOM 976 CB LEU A 62 -0.754 11.773 1.565 1.00 0.00 C ATOM 977 CG LEU A 62 -1.163 10.524 0.750 1.00 0.00 C ATOM 978 CD1 LEU A 62 -2.677 10.522 0.542 1.00 0.00 C ATOM 979 CD2 LEU A 62 -0.485 10.445 -0.627 1.00 0.00 C ATOM 0 H LEU A 62 0.554 10.773 3.631 1.00 0.00 H new ATOM 0 HA LEU A 62 1.207 11.683 0.864 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.295 11.777 2.511 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.054 12.670 1.023 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.837 9.660 1.328 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.964 9.641 -0.033 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.177 10.503 1.510 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.971 11.421 -0.000 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.817 9.545 -1.145 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.754 11.322 -1.216 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.597 10.412 -0.498 1.00 0.00 H new ATOM 1053 N LEU A 68 2.594 11.597 -2.610 1.00 0.00 N ATOM 1054 CA LEU A 68 3.654 10.842 -1.922 1.00 0.00 C ATOM 1055 C LEU A 68 4.672 11.694 -1.157 1.00 0.00 C ATOM 1056 O LEU A 68 5.509 12.398 -1.720 1.00 0.00 O ATOM 1057 CB LEU A 68 4.366 9.858 -2.864 1.00 0.00 C ATOM 1058 CG LEU A 68 5.375 8.923 -2.155 1.00 0.00 C ATOM 1059 CD1 LEU A 68 4.726 7.960 -1.145 1.00 0.00 C ATOM 1060 CD2 LEU A 68 6.082 8.087 -3.225 1.00 0.00 C ATOM 0 HA LEU A 68 3.118 10.278 -1.158 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.617 9.249 -3.370 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.890 10.424 -3.634 1.00 0.00 H new ATOM 0 HG LEU A 68 6.060 9.559 -1.594 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.496 7.338 -0.689 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.218 8.534 -0.370 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.004 7.326 -1.659 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.800 7.419 -2.749 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.346 7.498 -3.772 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.605 8.748 -3.916 1.00 0.00 H new ATOM 1072 N HIS A 69 4.660 11.560 0.164 1.00 0.00 N ATOM 1073 CA HIS A 69 5.722 12.041 1.025 1.00 0.00 C ATOM 1074 C HIS A 69 6.908 11.088 0.937 1.00 0.00 C ATOM 1075 O HIS A 69 7.006 10.127 1.699 1.00 0.00 O ATOM 1076 CB HIS A 69 5.196 12.197 2.455 1.00 0.00 C ATOM 1077 CG HIS A 69 6.080 13.034 3.343 1.00 0.00 C ATOM 1078 ND1 HIS A 69 7.426 13.293 3.185 1.00 0.00 N ATOM 1079 CD2 HIS A 69 5.678 13.620 4.510 1.00 0.00 C ATOM 1080 CE1 HIS A 69 7.838 13.975 4.265 1.00 0.00 C ATOM 1081 NE2 HIS A 69 6.811 14.186 5.103 1.00 0.00 N ATOM 0 H HIS A 69 3.899 11.107 0.670 1.00 0.00 H new ATOM 0 HA HIS A 69 6.064 13.024 0.701 1.00 0.00 H new ATOM 0 HB2 HIS A 69 4.204 12.646 2.420 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.083 11.208 2.900 1.00 0.00 H new ATOM 0 HD2 HIS A 69 4.672 13.642 4.902 1.00 0.00 H new ATOM 0 HE1 HIS A 69 8.852 14.307 4.435 1.00 0.00 H new ATOM 0 HE2 HIS A 69 6.850 14.668 6.001 1.00 0.00 H new ATOM 1089 N HIS A 70 7.834 11.376 0.025 1.00 0.00 N ATOM 1090 CA HIS A 70 9.043 10.584 -0.192 1.00 0.00 C ATOM 1091 C HIS A 70 9.837 10.386 1.104 1.00 0.00 C ATOM 1092 O HIS A 70 10.338 9.284 1.341 1.00 0.00 O ATOM 1093 CB HIS A 70 9.888 11.250 -1.284 1.00 0.00 C ATOM 1094 CG HIS A 70 9.094 11.510 -2.531 1.00 0.00 C ATOM 1095 ND1 HIS A 70 8.760 12.735 -3.059 1.00 0.00 N ATOM 1096 CD2 HIS A 70 8.459 10.555 -3.267 1.00 0.00 C ATOM 1097 CE1 HIS A 70 7.955 12.510 -4.109 1.00 0.00 C ATOM 1098 NE2 HIS A 70 7.748 11.195 -4.274 1.00 0.00 N ATOM 0 H HIS A 70 7.764 12.182 -0.596 1.00 0.00 H new ATOM 0 HA HIS A 70 8.758 9.586 -0.524 1.00 0.00 H new ATOM 0 HB2 HIS A 70 10.290 12.191 -0.908 1.00 0.00 H new ATOM 0 HB3 HIS A 70 10.739 10.612 -1.523 1.00 0.00 H new ATOM 0 HD1 HIS A 70 9.067 13.645 -2.716 1.00 0.00 H new ATOM 0 HD2 HIS A 70 8.501 9.489 -3.097 1.00 0.00 H new ATOM 0 HE1 HIS A 70 7.532 13.282 -4.735 1.00 0.00 H new ATOM 1106 N GLY A 71 9.905 11.428 1.938 1.00 0.00 N ATOM 1107 CA GLY A 71 10.450 11.416 3.287 1.00 0.00 C ATOM 1108 C GLY A 71 9.755 10.385 4.167 1.00 0.00 C ATOM 1109 O GLY A 71 10.356 9.362 4.482 1.00 0.00 O ATOM 0 H GLY A 71 9.561 12.350 1.670 1.00 0.00 H new ATOM 0 HA2 GLY A 71 11.517 11.199 3.246 1.00 0.00 H new ATOM 0 HA3 GLY A 71 10.343 12.405 3.732 1.00 0.00 H new ATOM 1113 N ASN A 72 8.487 10.613 4.538 1.00 0.00 N ATOM 1114 CA ASN A 72 7.725 9.732 5.433 1.00 0.00 C ATOM 1115 C ASN A 72 7.750 8.289 4.937 1.00 0.00 C ATOM 1116 O ASN A 72 7.918 7.369 5.735 1.00 0.00 O ATOM 1117 CB ASN A 72 6.263 10.193 5.574 1.00 0.00 C ATOM 1118 CG ASN A 72 5.915 10.718 6.959 1.00 0.00 C ATOM 1119 OD1 ASN A 72 6.125 11.885 7.271 1.00 0.00 O ATOM 1120 ND2 ASN A 72 5.385 9.891 7.835 1.00 0.00 N ATOM 0 H ASN A 72 7.956 11.424 4.221 1.00 0.00 H new ATOM 0 HA ASN A 72 8.206 9.786 6.410 1.00 0.00 H new ATOM 0 HB2 ASN A 72 6.066 10.974 4.840 1.00 0.00 H new ATOM 0 HB3 ASN A 72 5.604 9.358 5.336 1.00 0.00 H new ATOM 0 HD21 ASN A 72 5.150 10.221 8.771 1.00 0.00 H new ATOM 0 HD22 ASN A 72 5.209 8.920 7.578 1.00 0.00 H new ATOM 1127 N ALA A 73 7.579 8.080 3.630 1.00 0.00 N ATOM 1128 CA ALA A 73 7.681 6.782 2.986 1.00 0.00 C ATOM 1129 C ALA A 73 9.019 6.101 3.313 1.00 0.00 C ATOM 1130 O ALA A 73 9.040 4.957 3.771 1.00 0.00 O ATOM 1131 CB ALA A 73 7.450 6.951 1.484 1.00 0.00 C ATOM 0 H ALA A 73 7.360 8.834 2.978 1.00 0.00 H new ATOM 0 HA ALA A 73 6.910 6.116 3.373 1.00 0.00 H new ATOM 0 HB1 ALA A 73 7.525 5.981 0.993 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.458 7.368 1.313 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.202 7.624 1.074 1.00 0.00 H new ATOM 1137 N MET A 74 10.140 6.792 3.087 1.00 0.00 N ATOM 1138 CA MET A 74 11.467 6.236 3.310 1.00 0.00 C ATOM 1139 C MET A 74 11.739 6.026 4.798 1.00 0.00 C ATOM 1140 O MET A 74 12.355 5.024 5.167 1.00 0.00 O ATOM 1141 CB MET A 74 12.521 7.151 2.676 1.00 0.00 C ATOM 1142 CG MET A 74 13.925 6.579 2.893 1.00 0.00 C ATOM 1143 SD MET A 74 15.142 6.921 1.602 1.00 0.00 S ATOM 1144 CE MET A 74 14.511 5.832 0.296 1.00 0.00 C ATOM 0 H MET A 74 10.147 7.753 2.744 1.00 0.00 H new ATOM 0 HA MET A 74 11.520 5.256 2.835 1.00 0.00 H new ATOM 0 HB2 MET A 74 12.325 7.257 1.609 1.00 0.00 H new ATOM 0 HB3 MET A 74 12.456 8.148 3.112 1.00 0.00 H new ATOM 0 HG2 MET A 74 14.310 6.967 3.836 1.00 0.00 H new ATOM 0 HG3 MET A 74 13.840 5.498 3.004 1.00 0.00 H new ATOM 0 HE1 MET A 74 15.248 5.059 0.080 1.00 0.00 H new ATOM 0 HE2 MET A 74 13.583 5.366 0.627 1.00 0.00 H new ATOM 0 HE3 MET A 74 14.322 6.416 -0.605 1.00 0.00 H new ATOM 1154 N GLU A 75 11.278 6.944 5.649 1.00 0.00 N ATOM 1155 CA GLU A 75 11.362 6.844 7.092 1.00 0.00 C ATOM 1156 C GLU A 75 10.691 5.551 7.524 1.00 0.00 C ATOM 1157 O GLU A 75 11.338 4.739 8.168 1.00 0.00 O ATOM 1158 CB GLU A 75 10.696 8.083 7.721 1.00 0.00 C ATOM 1159 CG GLU A 75 11.620 8.848 8.665 1.00 0.00 C ATOM 1160 CD GLU A 75 11.660 8.266 10.081 1.00 0.00 C ATOM 1161 OE1 GLU A 75 10.590 8.176 10.726 1.00 0.00 O ATOM 1162 OE2 GLU A 75 12.780 7.996 10.585 1.00 0.00 O ATOM 0 H GLU A 75 10.823 7.801 5.335 1.00 0.00 H new ATOM 0 HA GLU A 75 12.398 6.819 7.429 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.364 8.752 6.927 1.00 0.00 H new ATOM 0 HB3 GLU A 75 9.806 7.771 8.268 1.00 0.00 H new ATOM 0 HG2 GLU A 75 12.629 8.849 8.252 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.295 9.887 8.716 1.00 0.00 H new ATOM 1169 N PHE A 76 9.436 5.327 7.120 1.00 0.00 N ATOM 1170 CA PHE A 76 8.662 4.139 7.451 1.00 0.00 C ATOM 1171 C PHE A 76 9.422 2.875 7.071 1.00 0.00 C ATOM 1172 O PHE A 76 9.499 1.953 7.883 1.00 0.00 O ATOM 1173 CB PHE A 76 7.308 4.193 6.742 1.00 0.00 C ATOM 1174 CG PHE A 76 6.310 3.123 7.149 1.00 0.00 C ATOM 1175 CD1 PHE A 76 5.466 3.338 8.256 1.00 0.00 C ATOM 1176 CD2 PHE A 76 6.201 1.924 6.416 1.00 0.00 C ATOM 1177 CE1 PHE A 76 4.537 2.353 8.636 1.00 0.00 C ATOM 1178 CE2 PHE A 76 5.269 0.942 6.800 1.00 0.00 C ATOM 1179 CZ PHE A 76 4.436 1.156 7.909 1.00 0.00 C ATOM 0 H PHE A 76 8.922 5.989 6.538 1.00 0.00 H new ATOM 0 HA PHE A 76 8.496 4.115 8.528 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.861 5.170 6.926 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.477 4.117 5.668 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.532 4.260 8.814 1.00 0.00 H new ATOM 0 HD2 PHE A 76 6.835 1.758 5.557 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.898 2.518 9.491 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.195 0.022 6.240 1.00 0.00 H new ATOM 0 HZ PHE A 76 3.720 0.403 8.202 1.00 0.00 H new ATOM 1189 N ALA A 77 9.998 2.834 5.869 1.00 0.00 N ATOM 1190 CA ALA A 77 10.799 1.708 5.427 1.00 0.00 C ATOM 1191 C ALA A 77 11.962 1.468 6.402 1.00 0.00 C ATOM 1192 O ALA A 77 12.000 0.427 7.069 1.00 0.00 O ATOM 1193 CB ALA A 77 11.255 1.938 3.984 1.00 0.00 C ATOM 0 H ALA A 77 9.919 3.582 5.181 1.00 0.00 H new ATOM 0 HA ALA A 77 10.203 0.795 5.431 1.00 0.00 H new ATOM 0 HB1 ALA A 77 11.857 1.091 3.653 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.383 2.038 3.338 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.851 2.849 3.932 1.00 0.00 H new ATOM 1199 N LYS A 78 12.910 2.412 6.503 1.00 0.00 N ATOM 1200 CA LYS A 78 14.114 2.265 7.318 1.00 0.00 C ATOM 1201 C LYS A 78 13.733 1.929 8.761 1.00 0.00 C ATOM 1202 O LYS A 78 14.325 1.027 9.353 1.00 0.00 O ATOM 1203 CB LYS A 78 14.957 3.555 7.234 1.00 0.00 C ATOM 1204 CG LYS A 78 16.111 3.500 6.210 1.00 0.00 C ATOM 1205 CD LYS A 78 15.719 3.817 4.761 1.00 0.00 C ATOM 1206 CE LYS A 78 16.948 4.078 3.877 1.00 0.00 C ATOM 1207 NZ LYS A 78 17.330 5.496 3.700 1.00 0.00 N ATOM 0 H LYS A 78 12.857 3.306 6.014 1.00 0.00 H new ATOM 0 HA LYS A 78 14.719 1.442 6.938 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.301 4.387 6.978 1.00 0.00 H new ATOM 0 HB3 LYS A 78 15.372 3.768 8.219 1.00 0.00 H new ATOM 0 HG2 LYS A 78 16.885 4.202 6.521 1.00 0.00 H new ATOM 0 HG3 LYS A 78 16.554 2.504 6.240 1.00 0.00 H new ATOM 0 HD2 LYS A 78 15.147 2.985 4.350 1.00 0.00 H new ATOM 0 HD3 LYS A 78 15.068 4.691 4.744 1.00 0.00 H new ATOM 0 HE2 LYS A 78 17.797 3.544 4.303 1.00 0.00 H new ATOM 0 HE3 LYS A 78 16.761 3.647 2.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 18.148 5.558 3.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 16.531 6.022 3.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 17.580 5.906 4.623 1.00 0.00 H new ATOM 1221 N LYS A 79 12.705 2.589 9.291 1.00 0.00 N ATOM 1222 CA LYS A 79 12.155 2.442 10.632 1.00 0.00 C ATOM 1223 C LYS A 79 11.862 1.004 11.020 1.00 0.00 C ATOM 1224 O LYS A 79 12.136 0.606 12.152 1.00 0.00 O ATOM 1225 CB LYS A 79 10.892 3.308 10.702 1.00 0.00 C ATOM 1226 CG LYS A 79 9.951 3.006 11.870 1.00 0.00 C ATOM 1227 CD LYS A 79 8.849 4.062 12.022 1.00 0.00 C ATOM 1228 CE LYS A 79 7.468 3.427 12.208 1.00 0.00 C ATOM 1229 NZ LYS A 79 7.433 2.498 13.355 1.00 0.00 N ATOM 0 H LYS A 79 12.199 3.292 8.752 1.00 0.00 H new ATOM 0 HA LYS A 79 12.902 2.771 11.355 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.192 4.354 10.761 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.338 3.188 9.771 1.00 0.00 H new ATOM 0 HG2 LYS A 79 9.495 2.027 11.721 1.00 0.00 H new ATOM 0 HG3 LYS A 79 10.528 2.952 12.793 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.073 4.699 12.877 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.837 4.703 11.141 1.00 0.00 H new ATOM 0 HE2 LYS A 79 6.726 4.212 12.355 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.191 2.892 11.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 6.446 2.329 13.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 7.876 1.596 13.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 7.953 2.913 14.154 1.00 0.00 H new ATOM 1243 N HIS A 80 11.208 0.236 10.151 1.00 0.00 N ATOM 1244 CA HIS A 80 10.871 -1.140 10.496 1.00 0.00 C ATOM 1245 C HIS A 80 12.108 -2.041 10.468 1.00 0.00 C ATOM 1246 O HIS A 80 12.069 -3.122 11.059 1.00 0.00 O ATOM 1247 CB HIS A 80 9.790 -1.683 9.565 1.00 0.00 C ATOM 1248 CG HIS A 80 8.465 -1.003 9.796 1.00 0.00 C ATOM 1249 ND1 HIS A 80 8.206 0.337 9.664 1.00 0.00 N ATOM 1250 CD2 HIS A 80 7.303 -1.600 10.191 1.00 0.00 C ATOM 1251 CE1 HIS A 80 6.929 0.543 9.991 1.00 0.00 C ATOM 1252 NE2 HIS A 80 6.332 -0.606 10.338 1.00 0.00 N ATOM 0 H HIS A 80 10.907 0.535 9.223 1.00 0.00 H new ATOM 0 HA HIS A 80 10.481 -1.139 11.514 1.00 0.00 H new ATOM 0 HB2 HIS A 80 10.097 -1.541 8.529 1.00 0.00 H new ATOM 0 HB3 HIS A 80 9.681 -2.756 9.721 1.00 0.00 H new ATOM 0 HD1 HIS A 80 8.872 1.050 9.368 1.00 0.00 H new ATOM 0 HD2 HIS A 80 7.159 -2.657 10.360 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.441 1.507 9.978 1.00 0.00 H new ATOM 1260 N GLY A 81 13.190 -1.617 9.809 1.00 0.00 N ATOM 1261 CA GLY A 81 14.387 -2.409 9.567 1.00 0.00 C ATOM 1262 C GLY A 81 14.736 -2.509 8.080 1.00 0.00 C ATOM 1263 O GLY A 81 15.639 -3.275 7.745 1.00 0.00 O ATOM 0 H GLY A 81 13.253 -0.677 9.417 1.00 0.00 H new ATOM 0 HA2 GLY A 81 15.226 -1.966 10.104 1.00 0.00 H new ATOM 0 HA3 GLY A 81 14.243 -3.411 9.971 1.00 0.00 H new ATOM 1267 N ALA A 82 14.009 -1.829 7.173 1.00 0.00 N ATOM 1268 CA ALA A 82 14.221 -2.017 5.741 1.00 0.00 C ATOM 1269 C ALA A 82 15.619 -1.584 5.350 1.00 0.00 C ATOM 1270 O ALA A 82 16.192 -0.666 5.942 1.00 0.00 O ATOM 1271 CB ALA A 82 13.251 -1.205 4.884 1.00 0.00 C ATOM 0 H ALA A 82 13.281 -1.155 7.410 1.00 0.00 H new ATOM 0 HA ALA A 82 14.061 -3.080 5.559 1.00 0.00 H new ATOM 0 HB1 ALA A 82 13.458 -1.386 3.829 1.00 0.00 H new ATOM 0 HB2 ALA A 82 12.228 -1.505 5.110 1.00 0.00 H new ATOM 0 HB3 ALA A 82 13.375 -0.144 5.101 1.00 0.00 H new ATOM 1277 N ASP A 83 16.099 -2.200 4.279 1.00 0.00 N ATOM 1278 CA ASP A 83 17.334 -1.802 3.647 1.00 0.00 C ATOM 1279 C ASP A 83 17.132 -0.478 2.912 1.00 0.00 C ATOM 1280 O ASP A 83 16.047 -0.161 2.424 1.00 0.00 O ATOM 1281 CB ASP A 83 17.837 -2.844 2.624 1.00 0.00 C ATOM 1282 CG ASP A 83 17.243 -4.256 2.678 1.00 0.00 C ATOM 1283 OD1 ASP A 83 16.041 -4.443 2.380 1.00 0.00 O ATOM 1284 OD2 ASP A 83 18.012 -5.223 2.878 1.00 0.00 O ATOM 0 H ASP A 83 15.637 -2.990 3.829 1.00 0.00 H new ATOM 0 HA ASP A 83 18.077 -1.708 4.439 1.00 0.00 H new ATOM 0 HB2 ASP A 83 17.657 -2.445 1.626 1.00 0.00 H new ATOM 0 HB3 ASP A 83 18.917 -2.932 2.742 1.00 0.00 H new ATOM 1289 N GLU A 84 18.238 0.222 2.720 1.00 0.00 N ATOM 1290 CA GLU A 84 18.437 1.439 1.965 1.00 0.00 C ATOM 1291 C GLU A 84 17.820 1.360 0.561 1.00 0.00 C ATOM 1292 O GLU A 84 16.849 2.058 0.271 1.00 0.00 O ATOM 1293 CB GLU A 84 19.953 1.708 1.980 1.00 0.00 C ATOM 1294 CG GLU A 84 20.331 3.120 2.443 1.00 0.00 C ATOM 1295 CD GLU A 84 19.983 4.185 1.409 1.00 0.00 C ATOM 1296 OE1 GLU A 84 20.751 4.298 0.421 1.00 0.00 O ATOM 1297 OE2 GLU A 84 18.955 4.865 1.626 1.00 0.00 O ATOM 0 H GLU A 84 19.115 -0.088 3.139 1.00 0.00 H new ATOM 0 HA GLU A 84 17.914 2.283 2.414 1.00 0.00 H new ATOM 0 HB2 GLU A 84 20.434 0.981 2.634 1.00 0.00 H new ATOM 0 HB3 GLU A 84 20.350 1.547 0.978 1.00 0.00 H new ATOM 0 HG2 GLU A 84 19.816 3.343 3.377 1.00 0.00 H new ATOM 0 HG3 GLU A 84 21.400 3.157 2.652 1.00 0.00 H new ATOM 1304 N THR A 85 18.317 0.479 -0.311 1.00 0.00 N ATOM 1305 CA THR A 85 17.863 0.432 -1.703 1.00 0.00 C ATOM 1306 C THR A 85 16.453 -0.144 -1.775 1.00 0.00 C ATOM 1307 O THR A 85 15.716 0.143 -2.708 1.00 0.00 O ATOM 1308 CB THR A 85 18.822 -0.404 -2.568 1.00 0.00 C ATOM 1309 OG1 THR A 85 20.153 -0.142 -2.156 1.00 0.00 O ATOM 1310 CG2 THR A 85 18.616 -0.159 -4.071 1.00 0.00 C ATOM 0 H THR A 85 19.032 -0.210 -0.078 1.00 0.00 H new ATOM 0 HA THR A 85 17.853 1.450 -2.093 1.00 0.00 H new ATOM 0 HB THR A 85 18.606 -1.462 -2.419 1.00 0.00 H new ATOM 0 HG1 THR A 85 20.774 -0.671 -2.699 1.00 0.00 H new ATOM 0 HG21 THR A 85 19.316 -0.772 -4.639 1.00 0.00 H new ATOM 0 HG22 THR A 85 17.595 -0.424 -4.346 1.00 0.00 H new ATOM 0 HG23 THR A 85 18.790 0.893 -4.295 1.00 0.00 H new ATOM 1318 N MET A 86 16.051 -0.942 -0.787 1.00 0.00 N ATOM 1319 CA MET A 86 14.678 -1.401 -0.680 1.00 0.00 C ATOM 1320 C MET A 86 13.759 -0.205 -0.448 1.00 0.00 C ATOM 1321 O MET A 86 12.718 -0.091 -1.086 1.00 0.00 O ATOM 1322 CB MET A 86 14.577 -2.459 0.420 1.00 0.00 C ATOM 1323 CG MET A 86 13.151 -2.680 0.942 1.00 0.00 C ATOM 1324 SD MET A 86 12.648 -4.417 1.077 1.00 0.00 S ATOM 1325 CE MET A 86 12.588 -4.573 2.871 1.00 0.00 C ATOM 0 H MET A 86 16.665 -1.283 -0.048 1.00 0.00 H new ATOM 0 HA MET A 86 14.355 -1.875 -1.607 1.00 0.00 H new ATOM 0 HB2 MET A 86 14.964 -3.404 0.038 1.00 0.00 H new ATOM 0 HB3 MET A 86 15.217 -2.166 1.252 1.00 0.00 H new ATOM 0 HG2 MET A 86 13.063 -2.214 1.923 1.00 0.00 H new ATOM 0 HG3 MET A 86 12.454 -2.165 0.281 1.00 0.00 H new ATOM 0 HE1 MET A 86 12.701 -5.621 3.149 1.00 0.00 H new ATOM 0 HE2 MET A 86 13.396 -3.991 3.314 1.00 0.00 H new ATOM 0 HE3 MET A 86 11.631 -4.202 3.237 1.00 0.00 H new ATOM 1335 N ALA A 87 14.130 0.691 0.459 1.00 0.00 N ATOM 1336 CA ALA A 87 13.397 1.917 0.686 1.00 0.00 C ATOM 1337 C ALA A 87 13.366 2.780 -0.575 1.00 0.00 C ATOM 1338 O ALA A 87 12.307 3.313 -0.900 1.00 0.00 O ATOM 1339 CB ALA A 87 13.970 2.583 1.923 1.00 0.00 C ATOM 0 H ALA A 87 14.950 0.582 1.056 1.00 0.00 H new ATOM 0 HA ALA A 87 12.343 1.727 0.889 1.00 0.00 H new ATOM 0 HB1 ALA A 87 13.434 3.512 2.117 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.862 1.916 2.778 1.00 0.00 H new ATOM 0 HB3 ALA A 87 15.026 2.800 1.763 1.00 0.00 H new ATOM 1345 N GLN A 88 14.473 2.896 -1.315 1.00 0.00 N ATOM 1346 CA GLN A 88 14.442 3.656 -2.553 1.00 0.00 C ATOM 1347 C GLN A 88 13.607 2.956 -3.632 1.00 0.00 C ATOM 1348 O GLN A 88 12.929 3.659 -4.368 1.00 0.00 O ATOM 1349 CB GLN A 88 15.861 4.005 -3.023 1.00 0.00 C ATOM 1350 CG GLN A 88 15.856 4.987 -4.207 1.00 0.00 C ATOM 1351 CD GLN A 88 14.972 6.220 -3.976 1.00 0.00 C ATOM 1352 OE1 GLN A 88 15.124 6.952 -3.002 1.00 0.00 O ATOM 1353 NE2 GLN A 88 14.011 6.494 -4.849 1.00 0.00 N ATOM 0 H GLN A 88 15.376 2.483 -1.081 1.00 0.00 H new ATOM 0 HA GLN A 88 13.938 4.602 -2.355 1.00 0.00 H new ATOM 0 HB2 GLN A 88 16.420 4.440 -2.194 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.381 3.092 -3.313 1.00 0.00 H new ATOM 0 HG2 GLN A 88 16.877 5.314 -4.402 1.00 0.00 H new ATOM 0 HG3 GLN A 88 15.512 4.465 -5.100 1.00 0.00 H new ATOM 0 HE21 GLN A 88 13.874 5.894 -5.662 1.00 0.00 H new ATOM 0 HE22 GLN A 88 13.409 7.305 -4.707 1.00 0.00 H new ATOM 1362 N GLN A 89 13.599 1.622 -3.718 1.00 0.00 N ATOM 1363 CA GLN A 89 12.740 0.842 -4.601 1.00 0.00 C ATOM 1364 C GLN A 89 11.277 1.140 -4.307 1.00 0.00 C ATOM 1365 O GLN A 89 10.513 1.437 -5.218 1.00 0.00 O ATOM 1366 CB GLN A 89 13.003 -0.641 -4.383 1.00 0.00 C ATOM 1367 CG GLN A 89 14.159 -1.138 -5.239 1.00 0.00 C ATOM 1368 CD GLN A 89 13.804 -1.264 -6.709 1.00 0.00 C ATOM 1369 OE1 GLN A 89 12.766 -1.782 -7.090 1.00 0.00 O ATOM 1370 NE2 GLN A 89 14.679 -0.809 -7.571 1.00 0.00 N ATOM 0 H GLN A 89 14.215 1.039 -3.152 1.00 0.00 H new ATOM 0 HA GLN A 89 12.959 1.109 -5.635 1.00 0.00 H new ATOM 0 HB2 GLN A 89 13.225 -0.821 -3.331 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.104 -1.209 -4.620 1.00 0.00 H new ATOM 0 HG2 GLN A 89 15.001 -0.454 -5.133 1.00 0.00 H new ATOM 0 HG3 GLN A 89 14.487 -2.108 -4.867 1.00 0.00 H new ATOM 0 HE21 GLN A 89 15.543 -0.378 -7.242 1.00 0.00 H new ATOM 0 HE22 GLN A 89 14.497 -0.886 -8.572 1.00 0.00 H new ATOM 1379 N LEU A 90 10.889 1.059 -3.030 1.00 0.00 N ATOM 1380 CA LEU A 90 9.536 1.351 -2.584 1.00 0.00 C ATOM 1381 C LEU A 90 9.110 2.704 -3.117 1.00 0.00 C ATOM 1382 O LEU A 90 8.052 2.781 -3.727 1.00 0.00 O ATOM 1383 CB LEU A 90 9.444 1.311 -1.053 1.00 0.00 C ATOM 1384 CG LEU A 90 9.472 -0.102 -0.445 1.00 0.00 C ATOM 1385 CD1 LEU A 90 9.964 -0.038 1.004 1.00 0.00 C ATOM 1386 CD2 LEU A 90 8.078 -0.723 -0.516 1.00 0.00 C ATOM 0 H LEU A 90 11.517 0.785 -2.274 1.00 0.00 H new ATOM 0 HA LEU A 90 8.861 0.588 -2.973 1.00 0.00 H new ATOM 0 HB2 LEU A 90 10.271 1.887 -0.638 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.523 1.807 -0.745 1.00 0.00 H new ATOM 0 HG LEU A 90 10.160 -0.727 -1.014 1.00 0.00 H new ATOM 0 HD11 LEU A 90 9.981 -1.042 1.427 1.00 0.00 H new ATOM 0 HD12 LEU A 90 10.969 0.383 1.029 1.00 0.00 H new ATOM 0 HD13 LEU A 90 9.293 0.591 1.589 1.00 0.00 H new ATOM 0 HD21 LEU A 90 8.103 -1.724 -0.084 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.375 -0.104 0.042 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.760 -0.785 -1.557 1.00 0.00 H new ATOM 1398 N ILE A 91 9.906 3.754 -2.916 1.00 0.00 N ATOM 1399 CA ILE A 91 9.525 5.049 -3.445 1.00 0.00 C ATOM 1400 C ILE A 91 9.571 5.031 -4.968 1.00 0.00 C ATOM 1401 O ILE A 91 8.629 5.523 -5.569 1.00 0.00 O ATOM 1402 CB ILE A 91 10.304 6.203 -2.776 1.00 0.00 C ATOM 1403 CG1 ILE A 91 9.670 6.478 -1.393 1.00 0.00 C ATOM 1404 CG2 ILE A 91 10.211 7.485 -3.621 1.00 0.00 C ATOM 1405 CD1 ILE A 91 10.225 5.565 -0.296 1.00 0.00 C ATOM 0 H ILE A 91 10.789 3.731 -2.407 1.00 0.00 H new ATOM 0 HA ILE A 91 8.487 5.255 -3.183 1.00 0.00 H new ATOM 0 HB ILE A 91 11.352 5.919 -2.682 1.00 0.00 H new ATOM 0 HG12 ILE A 91 9.846 7.518 -1.118 1.00 0.00 H new ATOM 0 HG13 ILE A 91 8.590 6.344 -1.460 1.00 0.00 H new ATOM 0 HG21 ILE A 91 10.767 8.285 -3.131 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.634 7.301 -4.609 1.00 0.00 H new ATOM 0 HG23 ILE A 91 9.166 7.779 -3.723 1.00 0.00 H new ATOM 0 HD11 ILE A 91 9.744 5.803 0.653 1.00 0.00 H new ATOM 0 HD12 ILE A 91 10.026 4.525 -0.553 1.00 0.00 H new ATOM 0 HD13 ILE A 91 11.301 5.717 -0.206 1.00 0.00 H new ATOM 1417 N ASP A 92 10.590 4.469 -5.607 1.00 0.00 N ATOM 1418 CA ASP A 92 10.739 4.528 -7.059 1.00 0.00 C ATOM 1419 C ASP A 92 9.546 3.906 -7.787 1.00 0.00 C ATOM 1420 O ASP A 92 9.188 4.351 -8.879 1.00 0.00 O ATOM 1421 CB ASP A 92 12.029 3.811 -7.480 1.00 0.00 C ATOM 1422 CG ASP A 92 12.247 3.918 -8.987 1.00 0.00 C ATOM 1423 OD1 ASP A 92 12.475 5.048 -9.472 1.00 0.00 O ATOM 1424 OD2 ASP A 92 12.197 2.882 -9.689 1.00 0.00 O ATOM 0 H ASP A 92 11.337 3.959 -5.135 1.00 0.00 H new ATOM 0 HA ASP A 92 10.787 5.580 -7.340 1.00 0.00 H new ATOM 0 HB2 ASP A 92 12.879 4.246 -6.954 1.00 0.00 H new ATOM 0 HB3 ASP A 92 11.977 2.762 -7.190 1.00 0.00 H new ATOM 1429 N ILE A 93 8.908 2.906 -7.177 1.00 0.00 N ATOM 1430 CA ILE A 93 7.757 2.203 -7.717 1.00 0.00 C ATOM 1431 C ILE A 93 6.460 2.884 -7.253 1.00 0.00 C ATOM 1432 O ILE A 93 5.559 3.067 -8.067 1.00 0.00 O ATOM 1433 CB ILE A 93 7.838 0.717 -7.309 1.00 0.00 C ATOM 1434 CG1 ILE A 93 9.164 0.051 -7.753 1.00 0.00 C ATOM 1435 CG2 ILE A 93 6.670 -0.050 -7.956 1.00 0.00 C ATOM 1436 CD1 ILE A 93 9.497 -1.232 -6.984 1.00 0.00 C ATOM 0 H ILE A 93 9.193 2.556 -6.262 1.00 0.00 H new ATOM 0 HA ILE A 93 7.756 2.245 -8.806 1.00 0.00 H new ATOM 0 HB ILE A 93 7.787 0.678 -6.221 1.00 0.00 H new ATOM 0 HG12 ILE A 93 9.107 -0.178 -8.817 1.00 0.00 H new ATOM 0 HG13 ILE A 93 9.979 0.763 -7.624 1.00 0.00 H new ATOM 0 HG21 ILE A 93 6.722 -1.101 -7.671 1.00 0.00 H new ATOM 0 HG22 ILE A 93 5.724 0.372 -7.615 1.00 0.00 H new ATOM 0 HG23 ILE A 93 6.735 0.035 -9.041 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.439 -1.641 -7.350 1.00 0.00 H new ATOM 0 HD12 ILE A 93 9.588 -1.006 -5.922 1.00 0.00 H new ATOM 0 HD13 ILE A 93 8.702 -1.962 -7.133 1.00 0.00 H new ATOM 1448 N VAL A 94 6.328 3.272 -5.978 1.00 0.00 N ATOM 1449 CA VAL A 94 5.132 3.962 -5.483 1.00 0.00 C ATOM 1450 C VAL A 94 4.998 5.295 -6.224 1.00 0.00 C ATOM 1451 O VAL A 94 3.978 5.548 -6.866 1.00 0.00 O ATOM 1452 CB VAL A 94 5.179 4.117 -3.942 1.00 0.00 C ATOM 1453 CG1 VAL A 94 3.989 4.925 -3.398 1.00 0.00 C ATOM 1454 CG2 VAL A 94 5.074 2.751 -3.256 1.00 0.00 C ATOM 0 H VAL A 94 7.042 3.118 -5.266 1.00 0.00 H new ATOM 0 HA VAL A 94 4.238 3.372 -5.687 1.00 0.00 H new ATOM 0 HB VAL A 94 6.123 4.621 -3.733 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.069 5.005 -2.314 1.00 0.00 H new ATOM 0 HG12 VAL A 94 3.996 5.923 -3.837 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.058 4.421 -3.657 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.109 2.883 -2.175 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.133 2.276 -3.533 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.905 2.121 -3.572 1.00 0.00 H new ATOM 1464 N HIS A 95 6.049 6.117 -6.191 1.00 0.00 N ATOM 1465 CA HIS A 95 6.146 7.360 -6.938 1.00 0.00 C ATOM 1466 C HIS A 95 5.980 7.062 -8.437 1.00 0.00 C ATOM 1467 O HIS A 95 5.334 7.813 -9.169 1.00 0.00 O ATOM 1468 CB HIS A 95 7.519 8.017 -6.722 1.00 0.00 C ATOM 1469 CG HIS A 95 7.588 9.460 -7.150 1.00 0.00 C ATOM 1470 ND1 HIS A 95 8.699 10.093 -7.654 1.00 0.00 N ATOM 1471 CD2 HIS A 95 6.593 10.393 -7.050 1.00 0.00 C ATOM 1472 CE1 HIS A 95 8.389 11.386 -7.835 1.00 0.00 C ATOM 1473 NE2 HIS A 95 7.101 11.611 -7.517 1.00 0.00 N ATOM 0 H HIS A 95 6.876 5.925 -5.626 1.00 0.00 H new ATOM 0 HA HIS A 95 5.365 8.036 -6.589 1.00 0.00 H new ATOM 0 HB2 HIS A 95 7.779 7.950 -5.666 1.00 0.00 H new ATOM 0 HB3 HIS A 95 8.271 7.450 -7.272 1.00 0.00 H new ATOM 0 HD1 HIS A 95 9.599 9.657 -7.855 1.00 0.00 H new ATOM 0 HD2 HIS A 95 5.594 10.221 -6.677 1.00 0.00 H new ATOM 0 HE1 HIS A 95 9.077 12.141 -8.187 1.00 0.00 H new ATOM 1481 N GLY A 96 6.573 5.945 -8.882 1.00 0.00 N ATOM 1482 CA GLY A 96 6.559 5.436 -10.245 1.00 0.00 C ATOM 1483 C GLY A 96 5.170 5.078 -10.754 1.00 0.00 C ATOM 1484 O GLY A 96 4.982 4.990 -11.963 1.00 0.00 O ATOM 0 H GLY A 96 7.106 5.342 -8.255 1.00 0.00 H new ATOM 0 HA2 GLY A 96 6.996 6.184 -10.906 1.00 0.00 H new ATOM 0 HA3 GLY A 96 7.194 4.552 -10.299 1.00 0.00 H new ATOM 1488 N CYS A 97 4.186 4.927 -9.868 1.00 0.00 N ATOM 1489 CA CYS A 97 2.804 4.714 -10.238 1.00 0.00 C ATOM 1490 C CYS A 97 1.961 5.936 -9.925 1.00 0.00 C ATOM 1491 O CYS A 97 1.153 6.269 -10.777 1.00 0.00 O ATOM 1492 CB CYS A 97 2.264 3.455 -9.566 1.00 0.00 C ATOM 1493 SG CYS A 97 2.812 1.900 -10.310 1.00 0.00 S ATOM 0 H CYS A 97 4.338 4.951 -8.860 1.00 0.00 H new ATOM 0 HA CYS A 97 2.749 4.562 -11.316 1.00 0.00 H new ATOM 0 HB2 CYS A 97 2.562 3.464 -8.518 1.00 0.00 H new ATOM 0 HB3 CYS A 97 1.175 3.488 -9.588 1.00 0.00 H new ATOM 1498 N GLU A 98 2.125 6.653 -8.808 1.00 0.00 N ATOM 1499 CA GLU A 98 1.188 7.718 -8.401 1.00 0.00 C ATOM 1500 C GLU A 98 0.853 8.737 -9.509 1.00 0.00 C ATOM 1501 O GLU A 98 -0.269 9.240 -9.541 1.00 0.00 O ATOM 1502 CB GLU A 98 1.675 8.440 -7.130 1.00 0.00 C ATOM 1503 CG GLU A 98 1.214 7.733 -5.839 1.00 0.00 C ATOM 1504 CD GLU A 98 1.031 8.652 -4.620 1.00 0.00 C ATOM 1505 OE1 GLU A 98 1.477 9.827 -4.659 1.00 0.00 O ATOM 1506 OE2 GLU A 98 0.409 8.182 -3.641 1.00 0.00 O ATOM 0 H GLU A 98 2.903 6.517 -8.162 1.00 0.00 H new ATOM 0 HA GLU A 98 0.254 7.199 -8.185 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.764 8.496 -7.142 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.303 9.465 -7.132 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.269 7.227 -6.038 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.941 6.961 -5.587 1.00 0.00 H new ATOM 1513 N LYS A 99 1.760 8.990 -10.460 1.00 0.00 N ATOM 1514 CA LYS A 99 1.543 9.906 -11.587 1.00 0.00 C ATOM 1515 C LYS A 99 1.677 9.209 -12.948 1.00 0.00 C ATOM 1516 O LYS A 99 1.417 9.831 -13.980 1.00 0.00 O ATOM 1517 CB LYS A 99 2.462 11.141 -11.474 1.00 0.00 C ATOM 1518 CG LYS A 99 2.098 12.114 -10.334 1.00 0.00 C ATOM 1519 CD LYS A 99 2.703 11.796 -8.959 1.00 0.00 C ATOM 1520 CE LYS A 99 4.232 11.888 -8.900 1.00 0.00 C ATOM 1521 NZ LYS A 99 4.742 13.269 -9.023 1.00 0.00 N ATOM 0 H LYS A 99 2.683 8.556 -10.468 1.00 0.00 H new ATOM 0 HA LYS A 99 0.511 10.251 -11.530 1.00 0.00 H new ATOM 0 HB2 LYS A 99 3.488 10.802 -11.330 1.00 0.00 H new ATOM 0 HB3 LYS A 99 2.436 11.684 -12.419 1.00 0.00 H new ATOM 0 HG2 LYS A 99 2.413 13.116 -10.624 1.00 0.00 H new ATOM 0 HG3 LYS A 99 1.013 12.137 -10.235 1.00 0.00 H new ATOM 0 HD2 LYS A 99 2.282 12.482 -8.224 1.00 0.00 H new ATOM 0 HD3 LYS A 99 2.401 10.790 -8.667 1.00 0.00 H new ATOM 0 HE2 LYS A 99 4.578 11.463 -7.958 1.00 0.00 H new ATOM 0 HE3 LYS A 99 4.656 11.279 -9.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 5.691 13.328 -8.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 4.793 13.532 -10.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 4.102 13.921 -8.527 1.00 0.00 H new ATOM 1535 N SER A 100 2.058 7.933 -12.993 1.00 0.00 N ATOM 1536 CA SER A 100 2.073 7.130 -14.208 1.00 0.00 C ATOM 1537 C SER A 100 0.697 6.500 -14.399 1.00 0.00 C ATOM 1538 O SER A 100 0.090 6.624 -15.467 1.00 0.00 O ATOM 1539 CB SER A 100 3.155 6.058 -14.100 1.00 0.00 C ATOM 1540 OG SER A 100 3.559 5.608 -15.378 1.00 0.00 O ATOM 0 H SER A 100 2.370 7.421 -12.168 1.00 0.00 H new ATOM 0 HA SER A 100 2.299 7.755 -15.072 1.00 0.00 H new ATOM 0 HB2 SER A 100 4.015 6.459 -13.564 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.780 5.217 -13.517 1.00 0.00 H new ATOM 0 HG SER A 100 4.253 4.924 -15.279 1.00 0.00 H new ATOM 1546 N THR A 101 0.203 5.846 -13.350 1.00 0.00 N ATOM 1547 CA THR A 101 -1.019 5.081 -13.288 1.00 0.00 C ATOM 1548 C THR A 101 -2.204 5.974 -13.682 1.00 0.00 C ATOM 1549 O THR A 101 -2.490 6.958 -12.992 1.00 0.00 O ATOM 1550 CB THR A 101 -1.133 4.506 -11.870 1.00 0.00 C ATOM 1551 OG1 THR A 101 -0.308 3.361 -11.746 1.00 0.00 O ATOM 1552 CG2 THR A 101 -2.539 4.042 -11.517 1.00 0.00 C ATOM 0 H THR A 101 0.693 5.844 -12.456 1.00 0.00 H new ATOM 0 HA THR A 101 -1.020 4.249 -13.993 1.00 0.00 H new ATOM 0 HB THR A 101 -0.839 5.318 -11.205 1.00 0.00 H new ATOM 0 HG1 THR A 101 -0.502 2.908 -10.899 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.547 3.647 -10.501 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.228 4.884 -11.585 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.850 3.262 -12.212 1.00 0.00 H new ATOM 1560 N PRO A 102 -2.897 5.656 -14.787 1.00 0.00 N ATOM 1561 CA PRO A 102 -4.095 6.356 -15.192 1.00 0.00 C ATOM 1562 C PRO A 102 -5.277 5.848 -14.374 1.00 0.00 C ATOM 1563 O PRO A 102 -5.505 4.635 -14.268 1.00 0.00 O ATOM 1564 CB PRO A 102 -4.246 6.060 -16.676 1.00 0.00 C ATOM 1565 CG PRO A 102 -3.602 4.688 -16.861 1.00 0.00 C ATOM 1566 CD PRO A 102 -2.619 4.558 -15.699 1.00 0.00 C ATOM 0 HA PRO A 102 -4.046 7.432 -15.023 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -5.295 6.049 -16.974 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -3.750 6.816 -17.284 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -4.349 3.894 -16.838 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -3.091 4.617 -17.821 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -2.740 3.598 -15.196 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -1.590 4.604 -16.056 1.00 0.00 H new ATOM 1574 N ALA A 103 -6.010 6.795 -13.797 1.00 0.00 N ATOM 1575 CA ALA A 103 -7.212 6.586 -13.015 1.00 0.00 C ATOM 1576 C ALA A 103 -8.084 7.840 -13.108 1.00 0.00 C ATOM 1577 O ALA A 103 -7.711 8.827 -13.746 1.00 0.00 O ATOM 1578 CB ALA A 103 -6.822 6.300 -11.564 1.00 0.00 C ATOM 0 H ALA A 103 -5.763 7.782 -13.870 1.00 0.00 H new ATOM 0 HA ALA A 103 -7.776 5.735 -13.397 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.722 6.142 -10.970 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -6.199 5.406 -11.524 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -6.267 7.148 -11.163 1.00 0.00 H new ATOM 1584 N ASN A 104 -9.255 7.785 -12.479 1.00 0.00 N ATOM 1585 CA ASN A 104 -10.259 8.846 -12.502 1.00 0.00 C ATOM 1586 C ASN A 104 -9.898 9.935 -11.493 1.00 0.00 C ATOM 1587 O ASN A 104 -8.816 9.936 -10.905 1.00 0.00 O ATOM 1588 CB ASN A 104 -11.670 8.299 -12.271 1.00 0.00 C ATOM 1589 CG ASN A 104 -11.872 6.903 -12.805 1.00 0.00 C ATOM 1590 OD1 ASN A 104 -11.549 6.574 -13.947 1.00 0.00 O ATOM 1591 ND2 ASN A 104 -12.349 6.050 -11.929 1.00 0.00 N ATOM 0 H ASN A 104 -9.540 6.978 -11.923 1.00 0.00 H new ATOM 0 HA ASN A 104 -10.261 9.292 -13.497 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -11.882 8.304 -11.202 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -12.391 8.967 -12.742 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -12.465 5.069 -12.183 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -12.603 6.368 -10.994 1.00 0.00 H new ATOM 1598 N ASP A 105 -10.837 10.841 -11.236 1.00 0.00 N ATOM 1599 CA ASP A 105 -10.846 11.677 -10.029 1.00 0.00 C ATOM 1600 C ASP A 105 -10.985 10.835 -8.767 1.00 0.00 C ATOM 1601 O ASP A 105 -10.737 11.304 -7.659 1.00 0.00 O ATOM 1602 CB ASP A 105 -12.000 12.645 -10.116 1.00 0.00 C ATOM 1603 CG ASP A 105 -11.965 13.757 -9.062 1.00 0.00 C ATOM 1604 OD1 ASP A 105 -10.911 14.418 -8.899 1.00 0.00 O ATOM 1605 OD2 ASP A 105 -13.052 14.013 -8.485 1.00 0.00 O ATOM 0 H ASP A 105 -11.622 11.021 -11.862 1.00 0.00 H new ATOM 0 HA ASP A 105 -9.898 12.213 -9.972 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -12.006 13.099 -11.107 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -12.933 12.091 -10.013 1.00 0.00 H new ATOM 1610 N ASP A 106 -11.404 9.577 -8.920 1.00 0.00 N ATOM 1611 CA ASP A 106 -11.608 8.689 -7.802 1.00 0.00 C ATOM 1612 C ASP A 106 -10.261 8.309 -7.169 1.00 0.00 C ATOM 1613 O ASP A 106 -9.568 7.403 -7.637 1.00 0.00 O ATOM 1614 CB ASP A 106 -12.412 7.471 -8.259 1.00 0.00 C ATOM 1615 CG ASP A 106 -13.009 6.792 -7.035 1.00 0.00 C ATOM 1616 OD1 ASP A 106 -12.249 6.507 -6.090 1.00 0.00 O ATOM 1617 OD2 ASP A 106 -14.238 6.572 -7.003 1.00 0.00 O ATOM 0 H ASP A 106 -11.608 9.157 -9.827 1.00 0.00 H new ATOM 0 HA ASP A 106 -12.186 9.191 -7.026 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -13.202 7.776 -8.945 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -11.770 6.776 -8.801 1.00 0.00 H new ATOM 1622 N LYS A 107 -9.871 9.021 -6.108 1.00 0.00 N ATOM 1623 CA LYS A 107 -8.694 8.736 -5.285 1.00 0.00 C ATOM 1624 C LYS A 107 -8.676 7.281 -4.799 1.00 0.00 C ATOM 1625 O LYS A 107 -7.589 6.719 -4.690 1.00 0.00 O ATOM 1626 CB LYS A 107 -8.641 9.713 -4.104 1.00 0.00 C ATOM 1627 CG LYS A 107 -8.194 11.119 -4.549 1.00 0.00 C ATOM 1628 CD LYS A 107 -6.671 11.218 -4.722 1.00 0.00 C ATOM 1629 CE LYS A 107 -6.185 11.506 -6.150 1.00 0.00 C ATOM 1630 NZ LYS A 107 -6.088 12.951 -6.465 1.00 0.00 N ATOM 0 H LYS A 107 -10.385 9.841 -5.788 1.00 0.00 H new ATOM 0 HA LYS A 107 -7.805 8.873 -5.901 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -9.624 9.774 -3.637 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -7.953 9.334 -3.348 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -8.682 11.372 -5.490 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -8.522 11.852 -3.813 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -6.299 12.004 -4.065 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -6.223 10.283 -4.386 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -5.207 11.046 -6.292 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -6.865 11.033 -6.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -5.755 13.072 -7.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -7.024 13.392 -6.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -5.417 13.404 -5.812 1.00 0.00 H new ATOM 1644 N CYS A 108 -9.832 6.651 -4.541 1.00 0.00 N ATOM 1645 CA CYS A 108 -9.870 5.239 -4.175 1.00 0.00 C ATOM 1646 C CYS A 108 -9.351 4.408 -5.351 1.00 0.00 C ATOM 1647 O CYS A 108 -8.462 3.580 -5.170 1.00 0.00 O ATOM 1648 CB CYS A 108 -11.288 4.762 -3.810 1.00 0.00 C ATOM 1649 SG CYS A 108 -12.342 5.792 -2.749 1.00 0.00 S ATOM 0 H CYS A 108 -10.747 7.101 -4.581 1.00 0.00 H new ATOM 0 HA CYS A 108 -9.243 5.109 -3.293 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -11.827 4.599 -4.744 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -11.190 3.791 -3.325 1.00 0.00 H new ATOM 1654 N ILE A 109 -9.919 4.612 -6.547 1.00 0.00 N ATOM 1655 CA ILE A 109 -9.584 3.870 -7.769 1.00 0.00 C ATOM 1656 C ILE A 109 -8.096 4.025 -8.070 1.00 0.00 C ATOM 1657 O ILE A 109 -7.412 3.041 -8.346 1.00 0.00 O ATOM 1658 CB ILE A 109 -10.421 4.361 -8.954 1.00 0.00 C ATOM 1659 CG1 ILE A 109 -11.913 4.085 -8.700 1.00 0.00 C ATOM 1660 CG2 ILE A 109 -9.987 3.807 -10.317 1.00 0.00 C ATOM 1661 CD1 ILE A 109 -12.403 2.662 -8.918 1.00 0.00 C ATOM 0 H ILE A 109 -10.643 5.316 -6.695 1.00 0.00 H new ATOM 0 HA ILE A 109 -9.812 2.816 -7.611 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.246 5.435 -9.017 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -12.138 4.366 -7.671 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -12.493 4.745 -9.345 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -10.635 4.208 -11.096 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -8.956 4.099 -10.517 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -10.061 2.720 -10.308 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -13.470 2.608 -8.704 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -12.225 2.371 -9.953 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -11.865 1.986 -8.253 1.00 0.00 H new ATOM 1673 N TRP A 110 -7.622 5.271 -8.045 1.00 0.00 N ATOM 1674 CA TRP A 110 -6.258 5.675 -8.230 1.00 0.00 C ATOM 1675 C TRP A 110 -5.330 4.870 -7.334 1.00 0.00 C ATOM 1676 O TRP A 110 -4.555 4.072 -7.861 1.00 0.00 O ATOM 1677 CB TRP A 110 -6.213 7.181 -7.985 1.00 0.00 C ATOM 1678 CG TRP A 110 -4.851 7.758 -7.998 1.00 0.00 C ATOM 1679 CD1 TRP A 110 -4.014 7.737 -9.051 1.00 0.00 C ATOM 1680 CD2 TRP A 110 -4.125 8.357 -6.893 1.00 0.00 C ATOM 1681 NE1 TRP A 110 -2.826 8.347 -8.693 1.00 0.00 N ATOM 1682 CE2 TRP A 110 -2.836 8.726 -7.367 1.00 0.00 C ATOM 1683 CE3 TRP A 110 -4.427 8.606 -5.539 1.00 0.00 C ATOM 1684 CZ2 TRP A 110 -1.891 9.336 -6.538 1.00 0.00 C ATOM 1685 CZ3 TRP A 110 -3.455 9.155 -4.682 1.00 0.00 C ATOM 1686 CH2 TRP A 110 -2.191 9.519 -5.181 1.00 0.00 C ATOM 0 H TRP A 110 -8.237 6.068 -7.882 1.00 0.00 H new ATOM 0 HA TRP A 110 -5.901 5.473 -9.240 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -6.814 7.679 -8.746 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -6.677 7.395 -7.022 1.00 0.00 H new ATOM 0 HD1 TRP A 110 -4.234 7.312 -10.019 1.00 0.00 H new ATOM 0 HE1 TRP A 110 -2.042 8.497 -9.328 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -5.410 8.374 -5.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -0.942 9.662 -6.937 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -3.681 9.298 -3.636 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -1.450 9.940 -4.517 1.00 0.00 H new ATOM 1697 N THR A 111 -5.424 5.016 -6.013 1.00 0.00 N ATOM 1698 CA THR A 111 -4.544 4.304 -5.104 1.00 0.00 C ATOM 1699 C THR A 111 -4.669 2.777 -5.252 1.00 0.00 C ATOM 1700 O THR A 111 -3.659 2.083 -5.133 1.00 0.00 O ATOM 1701 CB THR A 111 -4.812 4.805 -3.683 1.00 0.00 C ATOM 1702 OG1 THR A 111 -4.435 6.162 -3.555 1.00 0.00 O ATOM 1703 CG2 THR A 111 -4.033 4.000 -2.657 1.00 0.00 C ATOM 0 H THR A 111 -6.103 5.623 -5.554 1.00 0.00 H new ATOM 0 HA THR A 111 -3.504 4.514 -5.353 1.00 0.00 H new ATOM 0 HB THR A 111 -5.881 4.691 -3.501 1.00 0.00 H new ATOM 0 HG1 THR A 111 -4.607 6.630 -4.399 1.00 0.00 H new ATOM 0 HG21 THR A 111 -4.245 4.381 -1.658 1.00 0.00 H new ATOM 0 HG22 THR A 111 -4.328 2.952 -2.716 1.00 0.00 H new ATOM 0 HG23 THR A 111 -2.966 4.088 -2.860 1.00 0.00 H new ATOM 1711 N LEU A 112 -5.855 2.235 -5.565 1.00 0.00 N ATOM 1712 CA LEU A 112 -6.026 0.825 -5.918 1.00 0.00 C ATOM 1713 C LEU A 112 -5.102 0.483 -7.094 1.00 0.00 C ATOM 1714 O LEU A 112 -4.295 -0.435 -6.982 1.00 0.00 O ATOM 1715 CB LEU A 112 -7.529 0.526 -6.145 1.00 0.00 C ATOM 1716 CG LEU A 112 -7.911 -0.511 -7.194 1.00 0.00 C ATOM 1717 CD1 LEU A 112 -7.580 -1.928 -6.726 1.00 0.00 C ATOM 1718 CD2 LEU A 112 -9.410 -0.452 -7.512 1.00 0.00 C ATOM 0 H LEU A 112 -6.724 2.768 -5.579 1.00 0.00 H new ATOM 0 HA LEU A 112 -5.723 0.164 -5.106 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.951 0.206 -5.193 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -8.017 1.463 -6.411 1.00 0.00 H new ATOM 0 HG LEU A 112 -7.332 -0.275 -8.087 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -7.865 -2.642 -7.498 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -6.510 -2.008 -6.536 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.129 -2.146 -5.810 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -9.652 -1.203 -8.264 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -9.982 -0.648 -6.605 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -9.662 0.537 -7.894 1.00 0.00 H new ATOM 1730 N GLY A 113 -5.155 1.236 -8.195 1.00 0.00 N ATOM 1731 CA GLY A 113 -4.284 1.032 -9.348 1.00 0.00 C ATOM 1732 C GLY A 113 -2.802 1.133 -8.976 1.00 0.00 C ATOM 1733 O GLY A 113 -2.009 0.279 -9.385 1.00 0.00 O ATOM 0 H GLY A 113 -5.810 2.010 -8.309 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -4.482 0.052 -9.783 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -4.517 1.773 -10.113 1.00 0.00 H new ATOM 1737 N VAL A 114 -2.432 2.153 -8.197 1.00 0.00 N ATOM 1738 CA VAL A 114 -1.068 2.411 -7.734 1.00 0.00 C ATOM 1739 C VAL A 114 -0.578 1.252 -6.847 1.00 0.00 C ATOM 1740 O VAL A 114 0.624 0.988 -6.785 1.00 0.00 O ATOM 1741 CB VAL A 114 -1.027 3.781 -7.010 1.00 0.00 C ATOM 1742 CG1 VAL A 114 0.327 4.134 -6.382 1.00 0.00 C ATOM 1743 CG2 VAL A 114 -1.373 4.950 -7.951 1.00 0.00 C ATOM 0 H VAL A 114 -3.099 2.847 -7.860 1.00 0.00 H new ATOM 0 HA VAL A 114 -0.384 2.464 -8.581 1.00 0.00 H new ATOM 0 HB VAL A 114 -1.771 3.657 -6.223 1.00 0.00 H new ATOM 0 HG11 VAL A 114 0.261 5.109 -5.898 1.00 0.00 H new ATOM 0 HG12 VAL A 114 0.593 3.379 -5.642 1.00 0.00 H new ATOM 0 HG13 VAL A 114 1.091 4.166 -7.159 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -1.331 5.888 -7.397 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -0.656 4.981 -8.772 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -2.377 4.810 -8.351 1.00 0.00 H new ATOM 1753 N ALA A 115 -1.470 0.528 -6.164 1.00 0.00 N ATOM 1754 CA ALA A 115 -1.111 -0.680 -5.438 1.00 0.00 C ATOM 1755 C ALA A 115 -0.929 -1.849 -6.407 1.00 0.00 C ATOM 1756 O ALA A 115 0.060 -2.566 -6.285 1.00 0.00 O ATOM 1757 CB ALA A 115 -2.157 -0.998 -4.365 1.00 0.00 C ATOM 0 H ALA A 115 -2.459 0.768 -6.103 1.00 0.00 H new ATOM 0 HA ALA A 115 -0.160 -0.514 -4.931 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -1.869 -1.905 -3.834 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -2.219 -0.169 -3.660 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -3.128 -1.146 -4.837 1.00 0.00 H new ATOM 1763 N THR A 116 -1.828 -2.067 -7.367 1.00 0.00 N ATOM 1764 CA THR A 116 -1.789 -3.251 -8.228 1.00 0.00 C ATOM 1765 C THR A 116 -0.526 -3.304 -9.115 1.00 0.00 C ATOM 1766 O THR A 116 -0.016 -4.399 -9.378 1.00 0.00 O ATOM 1767 CB THR A 116 -3.086 -3.333 -9.057 1.00 0.00 C ATOM 1768 OG1 THR A 116 -4.207 -2.996 -8.269 1.00 0.00 O ATOM 1769 CG2 THR A 116 -3.353 -4.753 -9.565 1.00 0.00 C ATOM 0 H THR A 116 -2.600 -1.432 -7.570 1.00 0.00 H new ATOM 0 HA THR A 116 -1.728 -4.131 -7.588 1.00 0.00 H new ATOM 0 HB THR A 116 -2.947 -2.642 -9.889 1.00 0.00 H new ATOM 0 HG1 THR A 116 -5.019 -3.053 -8.814 1.00 0.00 H new ATOM 0 HG21 THR A 116 -4.276 -4.765 -10.144 1.00 0.00 H new ATOM 0 HG22 THR A 116 -2.525 -5.075 -10.196 1.00 0.00 H new ATOM 0 HG23 THR A 116 -3.448 -5.431 -8.717 1.00 0.00 H new ATOM 1777 N CYS A 117 0.007 -2.165 -9.575 1.00 0.00 N ATOM 1778 CA CYS A 117 1.263 -2.128 -10.335 1.00 0.00 C ATOM 1779 C CYS A 117 2.439 -2.448 -9.405 1.00 0.00 C ATOM 1780 O CYS A 117 3.249 -3.335 -9.674 1.00 0.00 O ATOM 1781 CB CYS A 117 1.458 -0.758 -11.002 1.00 0.00 C ATOM 1782 SG CYS A 117 1.256 0.662 -9.898 1.00 0.00 S ATOM 0 H CYS A 117 -0.417 -1.248 -9.432 1.00 0.00 H new ATOM 0 HA CYS A 117 1.219 -2.880 -11.123 1.00 0.00 H new ATOM 0 HB2 CYS A 117 2.456 -0.721 -11.439 1.00 0.00 H new ATOM 0 HB3 CYS A 117 0.747 -0.665 -11.823 1.00 0.00 H new ATOM 1787 N PHE A 118 2.506 -1.742 -8.277 1.00 0.00 N ATOM 1788 CA PHE A 118 3.517 -1.885 -7.243 1.00 0.00 C ATOM 1789 C PHE A 118 3.594 -3.328 -6.753 1.00 0.00 C ATOM 1790 O PHE A 118 4.676 -3.898 -6.689 1.00 0.00 O ATOM 1791 CB PHE A 118 3.152 -0.891 -6.139 1.00 0.00 C ATOM 1792 CG PHE A 118 3.876 -1.011 -4.816 1.00 0.00 C ATOM 1793 CD1 PHE A 118 5.184 -0.521 -4.656 1.00 0.00 C ATOM 1794 CD2 PHE A 118 3.183 -1.514 -3.701 1.00 0.00 C ATOM 1795 CE1 PHE A 118 5.788 -0.511 -3.387 1.00 0.00 C ATOM 1796 CE2 PHE A 118 3.776 -1.481 -2.431 1.00 0.00 C ATOM 1797 CZ PHE A 118 5.076 -0.982 -2.270 1.00 0.00 C ATOM 0 H PHE A 118 1.821 -1.021 -8.053 1.00 0.00 H new ATOM 0 HA PHE A 118 4.516 -1.662 -7.617 1.00 0.00 H new ATOM 0 HB2 PHE A 118 3.322 0.115 -6.524 1.00 0.00 H new ATOM 0 HB3 PHE A 118 2.083 -0.982 -5.946 1.00 0.00 H new ATOM 0 HD1 PHE A 118 5.727 -0.150 -5.513 1.00 0.00 H new ATOM 0 HD2 PHE A 118 2.192 -1.926 -3.823 1.00 0.00 H new ATOM 0 HE1 PHE A 118 6.796 -0.142 -3.270 1.00 0.00 H new ATOM 0 HE2 PHE A 118 3.229 -1.842 -1.573 1.00 0.00 H new ATOM 0 HZ PHE A 118 5.530 -0.959 -1.290 1.00 0.00 H new ATOM 1807 N LYS A 119 2.445 -3.950 -6.487 1.00 0.00 N ATOM 1808 CA LYS A 119 2.286 -5.358 -6.154 1.00 0.00 C ATOM 1809 C LYS A 119 3.102 -6.221 -7.108 1.00 0.00 C ATOM 1810 O LYS A 119 3.960 -6.966 -6.645 1.00 0.00 O ATOM 1811 CB LYS A 119 0.789 -5.697 -6.186 1.00 0.00 C ATOM 1812 CG LYS A 119 0.534 -7.202 -6.138 1.00 0.00 C ATOM 1813 CD LYS A 119 -0.958 -7.522 -6.188 1.00 0.00 C ATOM 1814 CE LYS A 119 -1.043 -9.012 -6.513 1.00 0.00 C ATOM 1815 NZ LYS A 119 -1.695 -9.304 -7.805 1.00 0.00 N ATOM 0 H LYS A 119 1.554 -3.454 -6.500 1.00 0.00 H new ATOM 0 HA LYS A 119 2.664 -5.564 -5.152 1.00 0.00 H new ATOM 0 HB2 LYS A 119 0.293 -5.220 -5.341 1.00 0.00 H new ATOM 0 HB3 LYS A 119 0.345 -5.284 -7.092 1.00 0.00 H new ATOM 0 HG2 LYS A 119 1.038 -7.684 -6.976 1.00 0.00 H new ATOM 0 HG3 LYS A 119 0.965 -7.616 -5.226 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -1.440 -7.300 -5.236 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -1.463 -6.925 -6.948 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -0.037 -9.430 -6.522 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -1.591 -9.517 -5.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -1.717 -10.332 -7.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -2.667 -8.935 -7.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -1.161 -8.851 -8.574 1.00 0.00 H new ATOM 1829 N ALA A 120 2.837 -6.152 -8.415 1.00 0.00 N ATOM 1830 CA ALA A 120 3.568 -6.932 -9.410 1.00 0.00 C ATOM 1831 C ALA A 120 5.088 -6.786 -9.248 1.00 0.00 C ATOM 1832 O ALA A 120 5.799 -7.785 -9.357 1.00 0.00 O ATOM 1833 CB ALA A 120 3.120 -6.550 -10.824 1.00 0.00 C ATOM 0 H ALA A 120 2.111 -5.554 -8.810 1.00 0.00 H new ATOM 0 HA ALA A 120 3.332 -7.984 -9.247 1.00 0.00 H new ATOM 0 HB1 ALA A 120 3.675 -7.140 -11.553 1.00 0.00 H new ATOM 0 HB2 ALA A 120 2.053 -6.747 -10.933 1.00 0.00 H new ATOM 0 HB3 ALA A 120 3.313 -5.491 -10.993 1.00 0.00 H new ATOM 1839 N GLU A 121 5.590 -5.588 -8.934 1.00 0.00 N ATOM 1840 CA GLU A 121 7.009 -5.387 -8.655 1.00 0.00 C ATOM 1841 C GLU A 121 7.444 -6.153 -7.399 1.00 0.00 C ATOM 1842 O GLU A 121 8.494 -6.783 -7.435 1.00 0.00 O ATOM 1843 CB GLU A 121 7.380 -3.901 -8.538 1.00 0.00 C ATOM 1844 CG GLU A 121 7.091 -3.087 -9.817 1.00 0.00 C ATOM 1845 CD GLU A 121 8.298 -2.309 -10.368 1.00 0.00 C ATOM 1846 OE1 GLU A 121 9.467 -2.737 -10.200 1.00 0.00 O ATOM 1847 OE2 GLU A 121 8.081 -1.291 -11.054 1.00 0.00 O ATOM 0 H GLU A 121 5.028 -4.740 -8.867 1.00 0.00 H new ATOM 0 HA GLU A 121 7.552 -5.789 -9.510 1.00 0.00 H new ATOM 0 HB2 GLU A 121 6.829 -3.462 -7.706 1.00 0.00 H new ATOM 0 HB3 GLU A 121 8.440 -3.818 -8.297 1.00 0.00 H new ATOM 0 HG2 GLU A 121 6.730 -3.766 -10.590 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.286 -2.383 -9.609 1.00 0.00 H new ATOM 1854 N ILE A 122 6.663 -6.176 -6.312 1.00 0.00 N ATOM 1855 CA ILE A 122 6.997 -6.929 -5.095 1.00 0.00 C ATOM 1856 C ILE A 122 7.126 -8.424 -5.411 1.00 0.00 C ATOM 1857 O ILE A 122 8.072 -9.076 -4.958 1.00 0.00 O ATOM 1858 CB ILE A 122 5.950 -6.696 -3.976 1.00 0.00 C ATOM 1859 CG1 ILE A 122 5.593 -5.218 -3.727 1.00 0.00 C ATOM 1860 CG2 ILE A 122 6.402 -7.318 -2.648 1.00 0.00 C ATOM 1861 CD1 ILE A 122 6.786 -4.263 -3.575 1.00 0.00 C ATOM 0 H ILE A 122 5.779 -5.672 -6.251 1.00 0.00 H new ATOM 0 HA ILE A 122 7.956 -6.563 -4.729 1.00 0.00 H new ATOM 0 HB ILE A 122 5.051 -7.188 -4.348 1.00 0.00 H new ATOM 0 HG12 ILE A 122 4.974 -4.868 -4.553 1.00 0.00 H new ATOM 0 HG13 ILE A 122 4.985 -5.157 -2.825 1.00 0.00 H new ATOM 0 HG21 ILE A 122 5.645 -7.136 -1.885 1.00 0.00 H new ATOM 0 HG22 ILE A 122 6.537 -8.392 -2.777 1.00 0.00 H new ATOM 0 HG23 ILE A 122 7.345 -6.868 -2.338 1.00 0.00 H new ATOM 0 HD11 ILE A 122 6.422 -3.250 -3.404 1.00 0.00 H new ATOM 0 HD12 ILE A 122 7.398 -4.577 -2.729 1.00 0.00 H new ATOM 0 HD13 ILE A 122 7.387 -4.284 -4.484 1.00 0.00 H new ATOM 1873 N HIS A 123 6.182 -8.965 -6.191 1.00 0.00 N ATOM 1874 CA HIS A 123 6.211 -10.359 -6.635 1.00 0.00 C ATOM 1875 C HIS A 123 7.495 -10.646 -7.434 1.00 0.00 C ATOM 1876 O HIS A 123 8.049 -11.741 -7.342 1.00 0.00 O ATOM 1877 CB HIS A 123 4.967 -10.691 -7.487 1.00 0.00 C ATOM 1878 CG HIS A 123 3.658 -10.847 -6.742 1.00 0.00 C ATOM 1879 ND1 HIS A 123 2.802 -11.930 -6.812 1.00 0.00 N ATOM 1880 CD2 HIS A 123 3.058 -9.918 -5.936 1.00 0.00 C ATOM 1881 CE1 HIS A 123 1.731 -11.666 -6.048 1.00 0.00 C ATOM 1882 NE2 HIS A 123 1.830 -10.436 -5.521 1.00 0.00 N ATOM 0 H HIS A 123 5.374 -8.444 -6.532 1.00 0.00 H new ATOM 0 HA HIS A 123 6.201 -10.995 -5.750 1.00 0.00 H new ATOM 0 HB2 HIS A 123 4.844 -9.904 -8.231 1.00 0.00 H new ATOM 0 HB3 HIS A 123 5.163 -11.616 -8.030 1.00 0.00 H new ATOM 0 HD1 HIS A 123 2.957 -12.782 -7.351 1.00 0.00 H new ATOM 0 HD2 HIS A 123 3.463 -8.953 -5.668 1.00 0.00 H new ATOM 0 HE1 HIS A 123 0.908 -12.345 -5.881 1.00 0.00 H new ATOM 1890 N LYS A 124 7.968 -9.689 -8.241 1.00 0.00 N ATOM 1891 CA LYS A 124 9.159 -9.839 -9.082 1.00 0.00 C ATOM 1892 C LYS A 124 10.438 -9.689 -8.262 1.00 0.00 C ATOM 1893 O LYS A 124 11.329 -10.526 -8.389 1.00 0.00 O ATOM 1894 CB LYS A 124 9.114 -8.813 -10.223 1.00 0.00 C ATOM 1895 CG LYS A 124 8.031 -9.195 -11.246 1.00 0.00 C ATOM 1896 CD LYS A 124 7.684 -8.052 -12.206 1.00 0.00 C ATOM 1897 CE LYS A 124 8.848 -7.724 -13.142 1.00 0.00 C ATOM 1898 NZ LYS A 124 8.957 -8.645 -14.286 1.00 0.00 N ATOM 0 H LYS A 124 7.526 -8.774 -8.329 1.00 0.00 H new ATOM 0 HA LYS A 124 9.164 -10.843 -9.507 1.00 0.00 H new ATOM 0 HB2 LYS A 124 8.909 -7.821 -9.820 1.00 0.00 H new ATOM 0 HB3 LYS A 124 10.086 -8.763 -10.714 1.00 0.00 H new ATOM 0 HG2 LYS A 124 8.371 -10.056 -11.822 1.00 0.00 H new ATOM 0 HG3 LYS A 124 7.130 -9.502 -10.715 1.00 0.00 H new ATOM 0 HD2 LYS A 124 6.809 -8.326 -12.796 1.00 0.00 H new ATOM 0 HD3 LYS A 124 7.417 -7.164 -11.633 1.00 0.00 H new ATOM 0 HE2 LYS A 124 8.729 -6.707 -13.514 1.00 0.00 H new ATOM 0 HE3 LYS A 124 9.779 -7.749 -12.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 9.765 -8.367 -14.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 9.100 -9.615 -13.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 8.083 -8.604 -14.849 1.00 0.00 H new ATOM 1912 N LEU A 125 10.513 -8.670 -7.404 1.00 0.00 N ATOM 1913 CA LEU A 125 11.605 -8.433 -6.453 1.00 0.00 C ATOM 1914 C LEU A 125 11.728 -9.585 -5.447 1.00 0.00 C ATOM 1915 O LEU A 125 12.761 -9.699 -4.787 1.00 0.00 O ATOM 1916 CB LEU A 125 11.406 -7.102 -5.690 1.00 0.00 C ATOM 1917 CG LEU A 125 11.694 -5.836 -6.531 1.00 0.00 C ATOM 1918 CD1 LEU A 125 10.969 -4.609 -5.976 1.00 0.00 C ATOM 1919 CD2 LEU A 125 13.188 -5.505 -6.513 1.00 0.00 C ATOM 0 H LEU A 125 9.786 -7.957 -7.349 1.00 0.00 H new ATOM 0 HA LEU A 125 12.525 -8.373 -7.034 1.00 0.00 H new ATOM 0 HB2 LEU A 125 10.380 -7.056 -5.325 1.00 0.00 H new ATOM 0 HB3 LEU A 125 12.056 -7.098 -4.815 1.00 0.00 H new ATOM 0 HG LEU A 125 11.347 -6.056 -7.540 1.00 0.00 H new ATOM 0 HD11 LEU A 125 11.197 -3.741 -6.594 1.00 0.00 H new ATOM 0 HD12 LEU A 125 9.894 -4.787 -5.984 1.00 0.00 H new ATOM 0 HD13 LEU A 125 11.299 -4.423 -4.954 1.00 0.00 H new ATOM 0 HD21 LEU A 125 13.370 -4.611 -7.110 1.00 0.00 H new ATOM 0 HD22 LEU A 125 13.509 -5.327 -5.487 1.00 0.00 H new ATOM 0 HD23 LEU A 125 13.751 -6.340 -6.929 1.00 0.00 H new ATOM 1931 N ASN A 126 10.715 -10.455 -5.346 1.00 0.00 N ATOM 1932 CA ASN A 126 10.646 -11.581 -4.418 1.00 0.00 C ATOM 1933 C ASN A 126 10.659 -11.090 -2.966 1.00 0.00 C ATOM 1934 O ASN A 126 11.328 -11.648 -2.090 1.00 0.00 O ATOM 1935 CB ASN A 126 11.728 -12.623 -4.741 1.00 0.00 C ATOM 1936 CG ASN A 126 11.345 -14.002 -4.227 1.00 0.00 C ATOM 1937 OD1 ASN A 126 11.660 -14.393 -3.104 1.00 0.00 O ATOM 1938 ND2 ASN A 126 10.643 -14.779 -5.030 1.00 0.00 N ATOM 0 H ASN A 126 9.887 -10.386 -5.937 1.00 0.00 H new ATOM 0 HA ASN A 126 9.695 -12.098 -4.545 1.00 0.00 H new ATOM 0 HB2 ASN A 126 11.883 -12.666 -5.819 1.00 0.00 H new ATOM 0 HB3 ASN A 126 12.674 -12.317 -4.295 1.00 0.00 H new ATOM 0 HD21 ASN A 126 10.359 -15.708 -4.720 1.00 0.00 H new ATOM 0 HD22 ASN A 126 10.384 -14.450 -5.960 1.00 0.00 H new ATOM 1945 N TRP A 127 9.896 -10.021 -2.709 1.00 0.00 N ATOM 1946 CA TRP A 127 9.513 -9.633 -1.353 1.00 0.00 C ATOM 1947 C TRP A 127 8.084 -10.080 -1.027 1.00 0.00 C ATOM 1948 O TRP A 127 7.538 -9.740 0.025 1.00 0.00 O ATOM 1949 CB TRP A 127 9.823 -8.169 -1.047 1.00 0.00 C ATOM 1950 CG TRP A 127 11.145 -7.614 -1.486 1.00 0.00 C ATOM 1951 CD1 TRP A 127 12.300 -8.299 -1.629 1.00 0.00 C ATOM 1952 CD2 TRP A 127 11.457 -6.239 -1.855 1.00 0.00 C ATOM 1953 NE1 TRP A 127 13.303 -7.445 -2.028 1.00 0.00 N ATOM 1954 CE2 TRP A 127 12.847 -6.154 -2.155 1.00 0.00 C ATOM 1955 CE3 TRP A 127 10.696 -5.059 -1.990 1.00 0.00 C ATOM 1956 CZ2 TRP A 127 13.463 -4.951 -2.520 1.00 0.00 C ATOM 1957 CZ3 TRP A 127 11.298 -3.838 -2.341 1.00 0.00 C ATOM 1958 CH2 TRP A 127 12.676 -3.793 -2.606 1.00 0.00 C ATOM 0 H TRP A 127 9.530 -9.405 -3.435 1.00 0.00 H new ATOM 0 HA TRP A 127 10.148 -10.178 -0.654 1.00 0.00 H new ATOM 0 HB2 TRP A 127 9.040 -7.562 -1.502 1.00 0.00 H new ATOM 0 HB3 TRP A 127 9.747 -8.032 0.032 1.00 0.00 H new ATOM 0 HD1 TRP A 127 12.419 -9.358 -1.456 1.00 0.00 H new ATOM 0 HE1 TRP A 127 14.265 -7.734 -2.207 1.00 0.00 H new ATOM 0 HE3 TRP A 127 9.630 -5.094 -1.820 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 14.522 -4.915 -2.731 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 10.703 -2.939 -2.406 1.00 0.00 H new ATOM 0 HH2 TRP A 127 13.136 -2.855 -2.880 1.00 0.00 H new ATOM 1969 N ALA A 128 7.516 -10.925 -1.883 1.00 0.00 N ATOM 1970 CA ALA A 128 6.497 -11.898 -1.555 1.00 0.00 C ATOM 1971 C ALA A 128 6.974 -13.225 -2.125 1.00 0.00 C ATOM 1972 O ALA A 128 8.041 -13.261 -2.781 1.00 0.00 O ATOM 1973 CB ALA A 128 5.155 -11.466 -2.142 1.00 0.00 C ATOM 0 H ALA A 128 7.771 -10.945 -2.870 1.00 0.00 H new ATOM 0 HA ALA A 128 6.345 -11.989 -0.479 1.00 0.00 H new ATOM 0 HB1 ALA A 128 4.393 -12.204 -1.890 1.00 0.00 H new ATOM 0 HB2 ALA A 128 4.872 -10.498 -1.729 1.00 0.00 H new ATOM 0 HB3 ALA A 128 5.240 -11.388 -3.226 1.00 0.00 H new