USER MOD reduce.3.24.130724 H: found=0, std=0, add=934, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 935 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 78 LYS NZ :NH3+ -165:sc= 1.04 (180deg=0.0199) USER MOD Set 1.2: A 79 TYR OH : rot 180:sc= 0.634 USER MOD Set 2.1: A 57 ASN : amide:sc= 1.38 K(o=-0.81,f=-9.5!) USER MOD Set 2.2: A 62 ASN : amide:sc= -2.2 K(o=-0.81,f=-1.7!) USER MOD Single : A 12 SER OG : rot 180:sc= -1.96! USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -168:sc= 1.41 (180deg=1.3) USER MOD Single : A 31 CYS SG : rot 180:sc= -1.23 USER MOD Single : A 33 THR OG1 : rot 110:sc= -0.856 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0147 USER MOD Single : A 36 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot -140:sc= 0.0588 USER MOD Single : A 40 LYS NZ :NH3+ -172:sc=-0.00431 (180deg=-0.0876) USER MOD Single : A 43 SER OG : rot 69:sc= 1.24 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 151:sc= -0.0983 USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ -162:sc= 1.1 (180deg=0.783) USER MOD Single : A 65 MET CE :methyl 156:sc= -0.153 (180deg=-0.843) USER MOD Single : A 67 MET CE :methyl -134:sc= -0.937 (180deg=-2.62) USER MOD Single : A 69 LYS NZ :NH3+ -161:sc= -0.0447 (180deg=-0.314) USER MOD Single : A 77 LYS NZ :NH3+ 169:sc=-0.00685 (180deg=-0.162) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.00087) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0141 USER MOD Single : A 91 ASN : amide:sc= -1.19 X(o=-1.2,f=-1.5!) USER MOD Single : A 92 SER OG : rot 96:sc= 1.21 USER MOD Single : A 93 SER OG : rot -43:sc= 0.0562 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 170:sc= 1.15 (180deg=1.02) USER MOD Single : A 114 LYS NZ :NH3+ 160:sc= 1.17 (180deg=0.844) USER MOD ----------------------------------------------------------------- ATOM 50 N GLY A 5 11.859 1.216 8.503 1.00 0.00 N ATOM 51 CA GLY A 5 11.280 1.289 7.178 1.00 0.00 C ATOM 52 C GLY A 5 9.848 1.780 7.170 1.00 0.00 C ATOM 53 O GLY A 5 9.462 2.627 7.975 1.00 0.00 O ATOM 0 HA2 GLY A 5 11.886 1.952 6.561 1.00 0.00 H new ATOM 0 HA3 GLY A 5 11.320 0.302 6.718 1.00 0.00 H new ATOM 57 N ILE A 6 9.064 1.248 6.250 1.00 0.00 N ATOM 58 CA ILE A 6 7.674 1.639 6.108 1.00 0.00 C ATOM 59 C ILE A 6 6.814 0.907 7.131 1.00 0.00 C ATOM 60 O ILE A 6 6.775 -0.325 7.163 1.00 0.00 O ATOM 61 CB ILE A 6 7.154 1.346 4.687 1.00 0.00 C ATOM 62 CG1 ILE A 6 8.045 2.032 3.646 1.00 0.00 C ATOM 63 CG2 ILE A 6 5.711 1.802 4.542 1.00 0.00 C ATOM 64 CD1 ILE A 6 7.686 1.696 2.214 1.00 0.00 C ATOM 0 H ILE A 6 9.370 0.538 5.585 1.00 0.00 H new ATOM 0 HA ILE A 6 7.610 2.713 6.283 1.00 0.00 H new ATOM 0 HB ILE A 6 7.189 0.270 4.518 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.981 3.112 3.782 1.00 0.00 H new ATOM 0 HG13 ILE A 6 9.082 1.749 3.826 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.361 1.587 3.532 1.00 0.00 H new ATOM 0 HG22 ILE A 6 5.088 1.272 5.262 1.00 0.00 H new ATOM 0 HG23 ILE A 6 5.648 2.874 4.727 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.361 2.220 1.537 1.00 0.00 H new ATOM 0 HD12 ILE A 6 7.778 0.621 2.059 1.00 0.00 H new ATOM 0 HD13 ILE A 6 6.660 2.005 2.014 1.00 0.00 H new ATOM 76 N ALA A 7 6.134 1.670 7.967 1.00 0.00 N ATOM 77 CA ALA A 7 5.322 1.106 9.026 1.00 0.00 C ATOM 78 C ALA A 7 3.871 0.995 8.586 1.00 0.00 C ATOM 79 O ALA A 7 3.146 1.993 8.539 1.00 0.00 O ATOM 80 CB ALA A 7 5.430 1.950 10.285 1.00 0.00 C ATOM 0 H ALA A 7 6.129 2.689 7.931 1.00 0.00 H new ATOM 0 HA ALA A 7 5.693 0.105 9.246 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.814 1.512 11.070 1.00 0.00 H new ATOM 0 HB2 ALA A 7 6.469 1.982 10.614 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.085 2.962 10.075 1.00 0.00 H new ATOM 86 N PHE A 8 3.457 -0.213 8.251 1.00 0.00 N ATOM 87 CA PHE A 8 2.089 -0.456 7.851 1.00 0.00 C ATOM 88 C PHE A 8 1.214 -0.647 9.078 1.00 0.00 C ATOM 89 O PHE A 8 1.437 -1.553 9.882 1.00 0.00 O ATOM 90 CB PHE A 8 2.007 -1.685 6.949 1.00 0.00 C ATOM 91 CG PHE A 8 2.650 -1.495 5.607 1.00 0.00 C ATOM 92 CD1 PHE A 8 2.119 -0.601 4.694 1.00 0.00 C ATOM 93 CD2 PHE A 8 3.781 -2.214 5.257 1.00 0.00 C ATOM 94 CE1 PHE A 8 2.703 -0.426 3.456 1.00 0.00 C ATOM 95 CE2 PHE A 8 4.369 -2.042 4.019 1.00 0.00 C ATOM 96 CZ PHE A 8 3.829 -1.147 3.117 1.00 0.00 C ATOM 0 H PHE A 8 4.052 -1.041 8.249 1.00 0.00 H new ATOM 0 HA PHE A 8 1.730 0.408 7.292 1.00 0.00 H new ATOM 0 HB2 PHE A 8 2.482 -2.527 7.453 1.00 0.00 H new ATOM 0 HB3 PHE A 8 0.959 -1.950 6.805 1.00 0.00 H new ATOM 0 HD1 PHE A 8 1.237 -0.034 4.953 1.00 0.00 H new ATOM 0 HD2 PHE A 8 4.207 -2.916 5.959 1.00 0.00 H new ATOM 0 HE1 PHE A 8 2.279 0.275 2.753 1.00 0.00 H new ATOM 0 HE2 PHE A 8 5.251 -2.607 3.757 1.00 0.00 H new ATOM 0 HZ PHE A 8 4.287 -1.012 2.148 1.00 0.00 H new ATOM 106 N ARG A 9 0.227 0.218 9.229 1.00 0.00 N ATOM 107 CA ARG A 9 -0.660 0.155 10.373 1.00 0.00 C ATOM 108 C ARG A 9 -1.761 -0.859 10.114 1.00 0.00 C ATOM 109 O ARG A 9 -2.532 -0.733 9.158 1.00 0.00 O ATOM 110 CB ARG A 9 -1.246 1.534 10.680 1.00 0.00 C ATOM 111 CG ARG A 9 -0.181 2.587 10.950 1.00 0.00 C ATOM 112 CD ARG A 9 -0.790 3.904 11.400 1.00 0.00 C ATOM 113 NE ARG A 9 -1.491 3.775 12.678 1.00 0.00 N ATOM 114 CZ ARG A 9 -1.609 4.757 13.571 1.00 0.00 C ATOM 115 NH1 ARG A 9 -1.107 5.962 13.323 1.00 0.00 N ATOM 116 NH2 ARG A 9 -2.245 4.528 14.712 1.00 0.00 N ATOM 0 H ARG A 9 0.021 0.972 8.573 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.090 -0.164 11.246 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.862 1.856 9.840 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -1.902 1.459 11.547 1.00 0.00 H new ATOM 0 HG2 ARG A 9 0.504 2.223 11.716 1.00 0.00 H new ATOM 0 HG3 ARG A 9 0.407 2.749 10.047 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.005 4.654 11.491 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.485 4.261 10.640 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.917 2.875 12.900 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -0.626 6.143 12.442 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -1.203 6.706 14.014 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -2.639 3.606 14.900 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -2.340 5.274 15.401 1.00 0.00 H new ATOM 130 N GLU A 10 -1.811 -1.877 10.955 1.00 0.00 N ATOM 131 CA GLU A 10 -2.783 -2.943 10.805 1.00 0.00 C ATOM 132 C GLU A 10 -4.122 -2.514 11.378 1.00 0.00 C ATOM 133 O GLU A 10 -4.342 -2.565 12.591 1.00 0.00 O ATOM 134 CB GLU A 10 -2.293 -4.211 11.496 1.00 0.00 C ATOM 135 CG GLU A 10 -0.908 -4.639 11.050 1.00 0.00 C ATOM 136 CD GLU A 10 -0.465 -5.933 11.690 1.00 0.00 C ATOM 137 OE1 GLU A 10 -0.031 -5.904 12.860 1.00 0.00 O ATOM 138 OE2 GLU A 10 -0.546 -6.980 11.022 1.00 0.00 O ATOM 0 H GLU A 10 -1.185 -1.987 11.753 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.908 -3.155 9.743 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.287 -4.050 12.574 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.997 -5.019 11.299 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.898 -4.752 9.966 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.193 -3.854 11.295 1.00 0.00 H new ATOM 145 N LEU A 11 -4.991 -2.049 10.500 1.00 0.00 N ATOM 146 CA LEU A 11 -6.294 -1.563 10.882 1.00 0.00 C ATOM 147 C LEU A 11 -7.379 -2.343 10.148 1.00 0.00 C ATOM 148 O LEU A 11 -7.088 -3.070 9.197 1.00 0.00 O ATOM 149 CB LEU A 11 -6.392 -0.082 10.531 1.00 0.00 C ATOM 150 CG LEU A 11 -5.375 0.828 11.226 1.00 0.00 C ATOM 151 CD1 LEU A 11 -5.530 2.263 10.751 1.00 0.00 C ATOM 152 CD2 LEU A 11 -5.529 0.751 12.735 1.00 0.00 C ATOM 0 H LEU A 11 -4.807 -2.000 9.498 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.434 -1.697 11.955 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.274 0.027 9.453 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.395 0.267 10.779 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.375 0.483 10.964 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.799 2.894 11.256 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.367 2.309 9.674 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.535 2.616 10.982 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.797 1.405 13.209 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.534 1.068 13.015 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.367 -0.275 13.065 1.00 0.00 H new ATOM 164 N SER A 12 -8.622 -2.192 10.582 1.00 0.00 N ATOM 165 CA SER A 12 -9.735 -2.837 9.914 1.00 0.00 C ATOM 166 C SER A 12 -10.175 -2.013 8.707 1.00 0.00 C ATOM 167 O SER A 12 -9.643 -0.926 8.459 1.00 0.00 O ATOM 168 CB SER A 12 -10.902 -3.027 10.887 1.00 0.00 C ATOM 169 OG SER A 12 -11.268 -1.799 11.490 1.00 0.00 O ATOM 0 H SER A 12 -8.881 -1.629 11.392 1.00 0.00 H new ATOM 0 HA SER A 12 -9.413 -3.818 9.566 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.758 -3.444 10.356 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.624 -3.746 11.658 1.00 0.00 H new ATOM 0 HG SER A 12 -12.016 -1.947 12.105 1.00 0.00 H new ATOM 175 N PHE A 13 -11.145 -2.529 7.966 1.00 0.00 N ATOM 176 CA PHE A 13 -11.673 -1.836 6.791 1.00 0.00 C ATOM 177 C PHE A 13 -12.216 -0.442 7.155 1.00 0.00 C ATOM 178 O PHE A 13 -11.756 0.558 6.598 1.00 0.00 O ATOM 179 CB PHE A 13 -12.751 -2.687 6.102 1.00 0.00 C ATOM 180 CG PHE A 13 -13.319 -2.059 4.858 1.00 0.00 C ATOM 181 CD1 PHE A 13 -12.570 -1.994 3.695 1.00 0.00 C ATOM 182 CD2 PHE A 13 -14.603 -1.536 4.854 1.00 0.00 C ATOM 183 CE1 PHE A 13 -13.088 -1.418 2.552 1.00 0.00 C ATOM 184 CE2 PHE A 13 -15.126 -0.959 3.713 1.00 0.00 C ATOM 185 CZ PHE A 13 -14.367 -0.899 2.562 1.00 0.00 C ATOM 0 H PHE A 13 -11.586 -3.429 8.156 1.00 0.00 H new ATOM 0 HA PHE A 13 -10.851 -1.691 6.090 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -12.326 -3.657 5.846 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -13.561 -2.870 6.807 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -11.569 -2.399 3.682 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -15.201 -1.580 5.752 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -12.493 -1.374 1.652 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -16.128 -0.555 3.722 1.00 0.00 H new ATOM 0 HZ PHE A 13 -14.773 -0.446 1.670 1.00 0.00 H new ATOM 195 N PRO A 14 -13.183 -0.334 8.098 1.00 0.00 N ATOM 196 CA PRO A 14 -13.722 0.968 8.507 1.00 0.00 C ATOM 197 C PRO A 14 -12.668 1.846 9.178 1.00 0.00 C ATOM 198 O PRO A 14 -12.646 3.062 8.987 1.00 0.00 O ATOM 199 CB PRO A 14 -14.827 0.612 9.505 1.00 0.00 C ATOM 200 CG PRO A 14 -14.483 -0.754 9.988 1.00 0.00 C ATOM 201 CD PRO A 14 -13.828 -1.444 8.828 1.00 0.00 C ATOM 0 HA PRO A 14 -14.076 1.542 7.651 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -14.860 1.325 10.329 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -15.808 0.628 9.030 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -13.812 -0.708 10.846 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -15.375 -1.291 10.310 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.101 -2.185 9.159 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -14.556 -1.966 8.207 1.00 0.00 H new ATOM 209 N GLU A 15 -11.794 1.213 9.952 1.00 0.00 N ATOM 210 CA GLU A 15 -10.743 1.894 10.664 1.00 0.00 C ATOM 211 C GLU A 15 -9.837 2.646 9.700 1.00 0.00 C ATOM 212 O GLU A 15 -9.551 3.823 9.890 1.00 0.00 O ATOM 213 CB GLU A 15 -9.938 0.852 11.413 1.00 0.00 C ATOM 214 CG GLU A 15 -9.031 1.428 12.456 1.00 0.00 C ATOM 215 CD GLU A 15 -9.781 1.938 13.661 1.00 0.00 C ATOM 216 OE1 GLU A 15 -10.176 3.120 13.668 1.00 0.00 O ATOM 217 OE2 GLU A 15 -9.988 1.150 14.610 1.00 0.00 O ATOM 0 H GLU A 15 -11.803 0.204 10.098 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.175 2.619 11.353 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.622 0.149 11.887 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.342 0.284 10.699 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.318 0.667 12.772 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.454 2.244 12.020 1.00 0.00 H new ATOM 224 N ALA A 16 -9.396 1.945 8.663 1.00 0.00 N ATOM 225 CA ALA A 16 -8.501 2.521 7.669 1.00 0.00 C ATOM 226 C ALA A 16 -9.162 3.674 6.927 1.00 0.00 C ATOM 227 O ALA A 16 -8.531 4.704 6.682 1.00 0.00 O ATOM 228 CB ALA A 16 -8.059 1.457 6.684 1.00 0.00 C ATOM 0 H ALA A 16 -9.646 0.972 8.489 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.629 2.913 8.193 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.390 1.900 5.946 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.536 0.663 7.217 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.932 1.042 6.180 1.00 0.00 H new ATOM 234 N LEU A 17 -10.432 3.493 6.578 1.00 0.00 N ATOM 235 CA LEU A 17 -11.190 4.520 5.874 1.00 0.00 C ATOM 236 C LEU A 17 -11.272 5.775 6.738 1.00 0.00 C ATOM 237 O LEU A 17 -10.964 6.879 6.287 1.00 0.00 O ATOM 238 CB LEU A 17 -12.597 3.995 5.541 1.00 0.00 C ATOM 239 CG LEU A 17 -13.326 4.683 4.374 1.00 0.00 C ATOM 240 CD1 LEU A 17 -13.744 6.102 4.735 1.00 0.00 C ATOM 241 CD2 LEU A 17 -12.450 4.683 3.130 1.00 0.00 C ATOM 0 H LEU A 17 -10.959 2.641 6.772 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.687 4.771 4.940 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -12.520 2.931 5.316 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -13.216 4.088 6.433 1.00 0.00 H new ATOM 0 HG LEU A 17 -14.233 4.116 4.166 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -14.256 6.557 3.887 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -14.415 6.076 5.593 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -12.860 6.690 4.983 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -12.979 5.173 2.313 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -11.524 5.220 3.337 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -12.218 3.656 2.848 1.00 0.00 H new ATOM 253 N LYS A 18 -11.663 5.588 7.994 1.00 0.00 N ATOM 254 CA LYS A 18 -11.748 6.672 8.945 1.00 0.00 C ATOM 255 C LYS A 18 -10.383 7.321 9.154 1.00 0.00 C ATOM 256 O LYS A 18 -10.272 8.540 9.226 1.00 0.00 O ATOM 257 CB LYS A 18 -12.279 6.116 10.258 1.00 0.00 C ATOM 258 CG LYS A 18 -12.322 7.119 11.385 1.00 0.00 C ATOM 259 CD LYS A 18 -12.750 6.447 12.668 1.00 0.00 C ATOM 260 CE LYS A 18 -14.164 5.897 12.570 1.00 0.00 C ATOM 261 NZ LYS A 18 -14.566 5.174 13.803 1.00 0.00 N ATOM 0 H LYS A 18 -11.928 4.679 8.374 1.00 0.00 H new ATOM 0 HA LYS A 18 -12.421 7.441 8.565 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.284 5.727 10.094 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -11.657 5.274 10.560 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -11.340 7.573 11.514 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -13.015 7.923 11.139 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -12.060 5.637 12.902 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -12.693 7.161 13.489 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -14.860 6.716 12.387 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -14.233 5.223 11.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -15.536 4.815 13.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -13.918 4.377 13.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -14.526 5.823 14.615 1.00 0.00 H new ATOM 275 N ARG A 19 -9.350 6.493 9.227 1.00 0.00 N ATOM 276 CA ARG A 19 -7.995 6.951 9.448 1.00 0.00 C ATOM 277 C ARG A 19 -7.539 7.878 8.323 1.00 0.00 C ATOM 278 O ARG A 19 -6.940 8.925 8.575 1.00 0.00 O ATOM 279 CB ARG A 19 -7.078 5.733 9.567 1.00 0.00 C ATOM 280 CG ARG A 19 -5.611 6.047 9.451 1.00 0.00 C ATOM 281 CD ARG A 19 -5.156 7.030 10.505 1.00 0.00 C ATOM 282 NE ARG A 19 -5.348 6.525 11.864 1.00 0.00 N ATOM 283 CZ ARG A 19 -4.686 6.988 12.921 1.00 0.00 C ATOM 284 NH1 ARG A 19 -3.782 7.955 12.769 1.00 0.00 N ATOM 285 NH2 ARG A 19 -4.918 6.479 14.126 1.00 0.00 N ATOM 0 H ARG A 19 -9.434 5.481 9.133 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.952 7.527 10.372 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.259 5.249 10.527 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.346 5.014 8.792 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.035 5.126 9.542 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.405 6.455 8.462 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.101 7.259 10.352 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.706 7.964 10.387 1.00 0.00 H new ATOM 0 HE ARG A 19 -6.026 5.777 12.009 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -3.598 8.340 11.843 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -3.274 8.310 13.579 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -5.604 5.733 14.241 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.410 6.834 14.936 1.00 0.00 H new ATOM 299 N ALA A 20 -7.840 7.499 7.089 1.00 0.00 N ATOM 300 CA ALA A 20 -7.488 8.316 5.938 1.00 0.00 C ATOM 301 C ALA A 20 -8.198 9.665 5.994 1.00 0.00 C ATOM 302 O ALA A 20 -7.636 10.691 5.615 1.00 0.00 O ATOM 303 CB ALA A 20 -7.825 7.585 4.647 1.00 0.00 C ATOM 0 H ALA A 20 -8.326 6.632 6.860 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.414 8.498 5.962 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.556 8.209 3.795 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.267 6.650 4.602 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.894 7.372 4.618 1.00 0.00 H new ATOM 309 N GLU A 21 -9.426 9.655 6.496 1.00 0.00 N ATOM 310 CA GLU A 21 -10.235 10.862 6.595 1.00 0.00 C ATOM 311 C GLU A 21 -9.798 11.766 7.750 1.00 0.00 C ATOM 312 O GLU A 21 -9.722 12.984 7.592 1.00 0.00 O ATOM 313 CB GLU A 21 -11.706 10.484 6.764 1.00 0.00 C ATOM 314 CG GLU A 21 -12.380 10.072 5.468 1.00 0.00 C ATOM 315 CD GLU A 21 -12.657 11.254 4.563 1.00 0.00 C ATOM 316 OE1 GLU A 21 -13.622 11.998 4.836 1.00 0.00 O ATOM 317 OE2 GLU A 21 -11.915 11.461 3.587 1.00 0.00 O ATOM 0 H GLU A 21 -9.887 8.814 6.844 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.094 11.424 5.672 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.782 9.665 7.480 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -12.244 11.331 7.190 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.747 9.356 4.944 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -13.317 9.563 5.694 1.00 0.00 H new ATOM 324 N VAL A 22 -9.520 11.175 8.910 1.00 0.00 N ATOM 325 CA VAL A 22 -9.192 11.955 10.107 1.00 0.00 C ATOM 326 C VAL A 22 -7.833 12.643 9.990 1.00 0.00 C ATOM 327 O VAL A 22 -7.617 13.702 10.580 1.00 0.00 O ATOM 328 CB VAL A 22 -9.229 11.107 11.399 1.00 0.00 C ATOM 329 CG1 VAL A 22 -10.631 10.568 11.638 1.00 0.00 C ATOM 330 CG2 VAL A 22 -8.214 9.972 11.352 1.00 0.00 C ATOM 0 H VAL A 22 -9.514 10.165 9.049 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.968 12.717 10.176 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.957 11.754 12.233 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -10.641 9.973 12.551 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -11.328 11.400 11.739 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -10.930 9.944 10.795 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -8.268 9.397 12.276 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.435 9.321 10.506 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.211 10.385 11.240 1.00 0.00 H new ATOM 340 N GLU A 23 -6.914 12.042 9.244 1.00 0.00 N ATOM 341 CA GLU A 23 -5.634 12.689 8.979 1.00 0.00 C ATOM 342 C GLU A 23 -5.690 13.441 7.657 1.00 0.00 C ATOM 343 O GLU A 23 -4.855 14.312 7.391 1.00 0.00 O ATOM 344 CB GLU A 23 -4.489 11.675 8.964 1.00 0.00 C ATOM 345 CG GLU A 23 -4.131 11.139 10.340 1.00 0.00 C ATOM 346 CD GLU A 23 -2.836 10.351 10.336 1.00 0.00 C ATOM 347 OE1 GLU A 23 -1.761 10.963 10.168 1.00 0.00 O ATOM 348 OE2 GLU A 23 -2.882 9.112 10.489 1.00 0.00 O ATOM 0 H GLU A 23 -7.027 11.122 8.818 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.442 13.397 9.785 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.763 10.840 8.318 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.607 12.142 8.525 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.045 11.971 11.039 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.939 10.502 10.700 1.00 0.00 H new ATOM 355 N ASP A 24 -6.696 13.103 6.852 1.00 0.00 N ATOM 356 CA ASP A 24 -6.891 13.687 5.525 1.00 0.00 C ATOM 357 C ASP A 24 -5.644 13.489 4.672 1.00 0.00 C ATOM 358 O ASP A 24 -4.876 14.419 4.424 1.00 0.00 O ATOM 359 CB ASP A 24 -7.272 15.171 5.616 1.00 0.00 C ATOM 360 CG ASP A 24 -7.574 15.783 4.261 1.00 0.00 C ATOM 361 OD1 ASP A 24 -8.603 15.422 3.654 1.00 0.00 O ATOM 362 OD2 ASP A 24 -6.784 16.640 3.804 1.00 0.00 O ATOM 0 H ASP A 24 -7.403 12.412 7.103 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.722 13.170 5.045 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.144 15.279 6.261 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.458 15.723 6.086 1.00 0.00 H new ATOM 367 N LYS A 25 -5.430 12.248 4.269 1.00 0.00 N ATOM 368 CA LYS A 25 -4.257 11.875 3.495 1.00 0.00 C ATOM 369 C LYS A 25 -4.638 10.822 2.467 1.00 0.00 C ATOM 370 O LYS A 25 -5.769 10.338 2.458 1.00 0.00 O ATOM 371 CB LYS A 25 -3.159 11.318 4.411 1.00 0.00 C ATOM 372 CG LYS A 25 -2.570 12.337 5.372 1.00 0.00 C ATOM 373 CD LYS A 25 -1.645 11.672 6.380 1.00 0.00 C ATOM 374 CE LYS A 25 -0.969 12.694 7.275 1.00 0.00 C ATOM 375 NZ LYS A 25 -0.154 12.042 8.334 1.00 0.00 N ATOM 0 H LYS A 25 -6.062 11.472 4.468 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.877 12.764 2.991 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.569 10.488 4.986 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.358 10.913 3.793 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.019 13.093 4.812 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.374 12.853 5.897 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.215 10.972 6.991 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.888 11.092 5.853 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.332 13.341 6.672 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.724 13.330 7.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.125 12.750 9.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.714 11.295 8.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.698 11.624 7.908 1.00 0.00 H new ATOM 389 N LEU A 26 -3.698 10.464 1.613 1.00 0.00 N ATOM 390 CA LEU A 26 -3.930 9.418 0.635 1.00 0.00 C ATOM 391 C LEU A 26 -3.745 8.052 1.285 1.00 0.00 C ATOM 392 O LEU A 26 -2.788 7.831 2.033 1.00 0.00 O ATOM 393 CB LEU A 26 -2.984 9.582 -0.554 1.00 0.00 C ATOM 394 CG LEU A 26 -3.145 10.889 -1.331 1.00 0.00 C ATOM 395 CD1 LEU A 26 -2.061 11.022 -2.390 1.00 0.00 C ATOM 396 CD2 LEU A 26 -4.525 10.964 -1.967 1.00 0.00 C ATOM 0 H LEU A 26 -2.768 10.881 1.576 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.954 9.495 0.268 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.957 9.515 -0.194 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.137 8.748 -1.239 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.042 11.718 -0.631 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.194 11.959 -2.931 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.082 11.015 -1.911 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.129 10.187 -3.087 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.622 11.901 -2.516 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.656 10.127 -2.652 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.287 10.919 -1.189 1.00 0.00 H new ATOM 408 N LEU A 27 -4.668 7.148 1.001 1.00 0.00 N ATOM 409 CA LEU A 27 -4.667 5.828 1.608 1.00 0.00 C ATOM 410 C LEU A 27 -3.872 4.843 0.759 1.00 0.00 C ATOM 411 O LEU A 27 -4.256 4.517 -0.366 1.00 0.00 O ATOM 412 CB LEU A 27 -6.109 5.336 1.782 1.00 0.00 C ATOM 413 CG LEU A 27 -6.263 3.959 2.432 1.00 0.00 C ATOM 414 CD1 LEU A 27 -5.696 3.962 3.843 1.00 0.00 C ATOM 415 CD2 LEU A 27 -7.727 3.544 2.452 1.00 0.00 C ATOM 0 H LEU A 27 -5.435 7.307 0.347 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.191 5.894 2.586 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.653 6.065 2.383 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.586 5.311 0.802 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.702 3.237 1.839 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.816 2.973 4.286 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.637 4.218 3.809 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.228 4.697 4.447 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.821 2.563 2.917 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.304 4.272 3.022 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.106 3.499 1.431 1.00 0.00 H new ATOM 427 N PHE A 28 -2.755 4.390 1.302 1.00 0.00 N ATOM 428 CA PHE A 28 -1.936 3.386 0.647 1.00 0.00 C ATOM 429 C PHE A 28 -2.231 2.022 1.252 1.00 0.00 C ATOM 430 O PHE A 28 -1.869 1.744 2.395 1.00 0.00 O ATOM 431 CB PHE A 28 -0.449 3.720 0.793 1.00 0.00 C ATOM 432 CG PHE A 28 0.459 2.710 0.149 1.00 0.00 C ATOM 433 CD1 PHE A 28 0.755 2.791 -1.199 1.00 0.00 C ATOM 434 CD2 PHE A 28 1.014 1.681 0.893 1.00 0.00 C ATOM 435 CE1 PHE A 28 1.585 1.864 -1.797 1.00 0.00 C ATOM 436 CE2 PHE A 28 1.844 0.751 0.300 1.00 0.00 C ATOM 437 CZ PHE A 28 2.131 0.844 -1.047 1.00 0.00 C ATOM 0 H PHE A 28 -2.393 4.705 2.202 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.176 3.371 -0.416 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.260 4.699 0.353 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.204 3.794 1.852 1.00 0.00 H new ATOM 0 HD1 PHE A 28 0.332 3.589 -1.791 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.795 1.606 1.948 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.806 1.938 -2.851 1.00 0.00 H new ATOM 0 HE2 PHE A 28 2.268 -0.048 0.889 1.00 0.00 H new ATOM 0 HZ PHE A 28 2.782 0.119 -1.513 1.00 0.00 H new ATOM 447 N VAL A 29 -2.903 1.182 0.491 1.00 0.00 N ATOM 448 CA VAL A 29 -3.291 -0.131 0.971 1.00 0.00 C ATOM 449 C VAL A 29 -2.330 -1.192 0.457 1.00 0.00 C ATOM 450 O VAL A 29 -2.251 -1.444 -0.749 1.00 0.00 O ATOM 451 CB VAL A 29 -4.728 -0.490 0.533 1.00 0.00 C ATOM 452 CG1 VAL A 29 -5.172 -1.799 1.167 1.00 0.00 C ATOM 453 CG2 VAL A 29 -5.692 0.633 0.884 1.00 0.00 C ATOM 0 H VAL A 29 -3.193 1.385 -0.466 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.255 -0.102 2.060 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.733 -0.618 -0.549 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.187 -2.033 0.845 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.500 -2.599 0.858 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.148 -1.704 2.253 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -6.699 0.361 0.567 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.683 0.797 1.962 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.386 1.547 0.375 1.00 0.00 H new ATOM 463 N ASP A 30 -1.583 -1.793 1.370 1.00 0.00 N ATOM 464 CA ASP A 30 -0.688 -2.884 1.022 1.00 0.00 C ATOM 465 C ASP A 30 -1.453 -4.194 1.076 1.00 0.00 C ATOM 466 O ASP A 30 -1.865 -4.645 2.153 1.00 0.00 O ATOM 467 CB ASP A 30 0.519 -2.933 1.967 1.00 0.00 C ATOM 468 CG ASP A 30 1.529 -3.994 1.567 1.00 0.00 C ATOM 469 OD1 ASP A 30 2.305 -3.753 0.615 1.00 0.00 O ATOM 470 OD2 ASP A 30 1.553 -5.073 2.195 1.00 0.00 O ATOM 0 H ASP A 30 -1.579 -1.543 2.359 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.311 -2.721 0.012 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.007 -1.958 1.979 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.174 -3.129 2.982 1.00 0.00 H new ATOM 475 N CYS A 31 -1.688 -4.771 -0.090 1.00 0.00 N ATOM 476 CA CYS A 31 -2.403 -6.029 -0.188 1.00 0.00 C ATOM 477 C CYS A 31 -1.452 -7.130 -0.622 1.00 0.00 C ATOM 478 O CYS A 31 -0.970 -7.141 -1.757 1.00 0.00 O ATOM 479 CB CYS A 31 -3.555 -5.912 -1.192 1.00 0.00 C ATOM 480 SG CYS A 31 -4.730 -4.591 -0.815 1.00 0.00 S ATOM 0 H CYS A 31 -1.392 -4.384 -0.986 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.815 -6.274 0.791 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -3.141 -5.743 -2.186 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.090 -6.861 -1.227 1.00 0.00 H new ATOM 0 HG CYS A 31 -5.664 -4.570 -1.719 1.00 0.00 H new ATOM 486 N PHE A 32 -1.186 -8.056 0.276 1.00 0.00 N ATOM 487 CA PHE A 32 -0.295 -9.159 -0.022 1.00 0.00 C ATOM 488 C PHE A 32 -1.012 -10.474 0.202 1.00 0.00 C ATOM 489 O PHE A 32 -1.955 -10.554 0.991 1.00 0.00 O ATOM 490 CB PHE A 32 0.977 -9.082 0.836 1.00 0.00 C ATOM 491 CG PHE A 32 0.727 -9.173 2.317 1.00 0.00 C ATOM 492 CD1 PHE A 32 0.363 -8.052 3.043 1.00 0.00 C ATOM 493 CD2 PHE A 32 0.856 -10.384 2.983 1.00 0.00 C ATOM 494 CE1 PHE A 32 0.132 -8.133 4.402 1.00 0.00 C ATOM 495 CE2 PHE A 32 0.626 -10.471 4.342 1.00 0.00 C ATOM 496 CZ PHE A 32 0.264 -9.345 5.052 1.00 0.00 C ATOM 0 H PHE A 32 -1.574 -8.067 1.219 1.00 0.00 H new ATOM 0 HA PHE A 32 0.004 -9.094 -1.068 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.650 -9.888 0.542 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.490 -8.144 0.622 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.258 -7.102 2.540 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.140 -11.269 2.432 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.151 -7.250 4.956 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.729 -11.419 4.848 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.084 -9.411 6.115 1.00 0.00 H new ATOM 506 N THR A 33 -0.570 -11.502 -0.492 1.00 0.00 N ATOM 507 CA THR A 33 -1.184 -12.803 -0.361 1.00 0.00 C ATOM 508 C THR A 33 -0.370 -13.698 0.566 1.00 0.00 C ATOM 509 O THR A 33 0.814 -13.451 0.815 1.00 0.00 O ATOM 510 CB THR A 33 -1.334 -13.480 -1.735 1.00 0.00 C ATOM 511 OG1 THR A 33 -0.118 -13.336 -2.479 1.00 0.00 O ATOM 512 CG2 THR A 33 -2.492 -12.882 -2.521 1.00 0.00 C ATOM 0 H THR A 33 0.209 -11.461 -1.149 1.00 0.00 H new ATOM 0 HA THR A 33 -2.174 -12.658 0.070 1.00 0.00 H new ATOM 0 HB THR A 33 -1.544 -14.537 -1.573 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.325 -14.207 -2.553 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.572 -13.381 -3.487 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.419 -13.019 -1.964 1.00 0.00 H new ATOM 0 HG23 THR A 33 -2.315 -11.818 -2.676 1.00 0.00 H new ATOM 520 N THR A 34 -1.013 -14.736 1.078 1.00 0.00 N ATOM 521 CA THR A 34 -0.386 -15.648 2.025 1.00 0.00 C ATOM 522 C THR A 34 0.445 -16.709 1.303 1.00 0.00 C ATOM 523 O THR A 34 0.889 -17.687 1.907 1.00 0.00 O ATOM 524 CB THR A 34 -1.459 -16.345 2.880 1.00 0.00 C ATOM 525 OG1 THR A 34 -2.637 -15.527 2.932 1.00 0.00 O ATOM 526 CG2 THR A 34 -0.950 -16.589 4.292 1.00 0.00 C ATOM 0 H THR A 34 -1.979 -14.970 0.851 1.00 0.00 H new ATOM 0 HA THR A 34 0.273 -15.061 2.664 1.00 0.00 H new ATOM 0 HB THR A 34 -1.694 -17.307 2.424 1.00 0.00 H new ATOM 0 HG1 THR A 34 -3.321 -15.972 3.475 1.00 0.00 H new ATOM 0 HG21 THR A 34 -1.725 -17.083 4.878 1.00 0.00 H new ATOM 0 HG22 THR A 34 -0.064 -17.223 4.255 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.695 -15.636 4.757 1.00 0.00 H new ATOM 534 N TRP A 35 0.659 -16.501 0.013 1.00 0.00 N ATOM 535 CA TRP A 35 1.358 -17.468 -0.817 1.00 0.00 C ATOM 536 C TRP A 35 2.862 -17.425 -0.561 1.00 0.00 C ATOM 537 O TRP A 35 3.410 -18.298 0.115 1.00 0.00 O ATOM 538 CB TRP A 35 1.053 -17.210 -2.298 1.00 0.00 C ATOM 539 CG TRP A 35 -0.377 -17.473 -2.670 1.00 0.00 C ATOM 540 CD1 TRP A 35 -1.482 -16.799 -2.227 1.00 0.00 C ATOM 541 CD2 TRP A 35 -0.852 -18.481 -3.567 1.00 0.00 C ATOM 542 NE1 TRP A 35 -2.614 -17.336 -2.785 1.00 0.00 N ATOM 543 CE2 TRP A 35 -2.256 -18.366 -3.616 1.00 0.00 C ATOM 544 CE3 TRP A 35 -0.230 -19.469 -4.339 1.00 0.00 C ATOM 545 CZ2 TRP A 35 -3.042 -19.204 -4.397 1.00 0.00 C ATOM 546 CZ3 TRP A 35 -1.015 -20.300 -5.115 1.00 0.00 C ATOM 547 CH2 TRP A 35 -2.409 -20.160 -5.140 1.00 0.00 C ATOM 0 H TRP A 35 0.356 -15.664 -0.484 1.00 0.00 H new ATOM 0 HA TRP A 35 1.004 -18.465 -0.555 1.00 0.00 H new ATOM 0 HB2 TRP A 35 1.297 -16.175 -2.536 1.00 0.00 H new ATOM 0 HB3 TRP A 35 1.701 -17.839 -2.909 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -1.465 -15.967 -1.539 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -3.568 -17.020 -2.610 1.00 0.00 H new ATOM 0 HE3 TRP A 35 0.844 -19.580 -4.328 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -4.117 -19.103 -4.416 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.547 -21.069 -5.711 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -2.996 -20.822 -5.760 1.00 0.00 H new ATOM 558 N CYS A 36 3.519 -16.398 -1.071 1.00 0.00 N ATOM 559 CA CYS A 36 4.959 -16.270 -0.941 1.00 0.00 C ATOM 560 C CYS A 36 5.303 -14.993 -0.183 1.00 0.00 C ATOM 561 O CYS A 36 4.440 -14.404 0.472 1.00 0.00 O ATOM 562 CB CYS A 36 5.600 -16.260 -2.330 1.00 0.00 C ATOM 563 SG CYS A 36 5.188 -17.701 -3.337 1.00 0.00 S ATOM 0 H CYS A 36 3.074 -15.636 -1.582 1.00 0.00 H new ATOM 0 HA CYS A 36 5.349 -17.119 -0.379 1.00 0.00 H new ATOM 0 HB2 CYS A 36 5.287 -15.359 -2.857 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.683 -16.204 -2.219 1.00 0.00 H new ATOM 0 HG CYS A 36 5.773 -17.604 -4.494 1.00 0.00 H new ATOM 569 N GLY A 37 6.555 -14.566 -0.262 1.00 0.00 N ATOM 570 CA GLY A 37 6.960 -13.355 0.418 1.00 0.00 C ATOM 571 C GLY A 37 7.798 -12.432 -0.450 1.00 0.00 C ATOM 572 O GLY A 37 8.949 -12.152 -0.114 1.00 0.00 O ATOM 0 H GLY A 37 7.295 -15.036 -0.784 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.072 -12.820 0.753 1.00 0.00 H new ATOM 0 HA3 GLY A 37 7.528 -13.620 1.310 1.00 0.00 H new ATOM 576 N PRO A 38 7.254 -11.921 -1.575 1.00 0.00 N ATOM 577 CA PRO A 38 7.960 -10.948 -2.411 1.00 0.00 C ATOM 578 C PRO A 38 8.141 -9.628 -1.673 1.00 0.00 C ATOM 579 O PRO A 38 9.077 -8.869 -1.936 1.00 0.00 O ATOM 580 CB PRO A 38 7.045 -10.765 -3.632 1.00 0.00 C ATOM 581 CG PRO A 38 6.069 -11.892 -3.570 1.00 0.00 C ATOM 582 CD PRO A 38 5.922 -12.233 -2.116 1.00 0.00 C ATOM 0 HA PRO A 38 8.961 -11.283 -2.683 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.535 -9.802 -3.600 1.00 0.00 H new ATOM 0 HB3 PRO A 38 7.617 -10.792 -4.559 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.111 -11.602 -4.002 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.428 -12.751 -4.138 1.00 0.00 H new ATOM 0 HD2 PRO A 38 5.142 -11.641 -1.638 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.661 -13.281 -1.970 1.00 0.00 H new ATOM 590 N CYS A 39 7.233 -9.374 -0.737 1.00 0.00 N ATOM 591 CA CYS A 39 7.272 -8.173 0.081 1.00 0.00 C ATOM 592 C CYS A 39 8.465 -8.213 1.034 1.00 0.00 C ATOM 593 O CYS A 39 8.993 -7.174 1.433 1.00 0.00 O ATOM 594 CB CYS A 39 5.968 -8.051 0.869 1.00 0.00 C ATOM 595 SG CYS A 39 4.498 -8.419 -0.113 1.00 0.00 S ATOM 0 H CYS A 39 6.452 -9.995 -0.526 1.00 0.00 H new ATOM 0 HA CYS A 39 7.383 -7.304 -0.568 1.00 0.00 H new ATOM 0 HB2 CYS A 39 6.004 -8.727 1.723 1.00 0.00 H new ATOM 0 HB3 CYS A 39 5.886 -7.039 1.267 1.00 0.00 H new ATOM 0 HG CYS A 39 3.550 -7.586 0.197 1.00 0.00 H new ATOM 601 N LYS A 40 8.900 -9.422 1.380 1.00 0.00 N ATOM 602 CA LYS A 40 10.048 -9.600 2.260 1.00 0.00 C ATOM 603 C LYS A 40 11.316 -9.139 1.553 1.00 0.00 C ATOM 604 O LYS A 40 12.137 -8.419 2.125 1.00 0.00 O ATOM 605 CB LYS A 40 10.177 -11.066 2.683 1.00 0.00 C ATOM 606 CG LYS A 40 11.271 -11.313 3.710 1.00 0.00 C ATOM 607 CD LYS A 40 11.390 -12.786 4.062 1.00 0.00 C ATOM 608 CE LYS A 40 12.432 -13.016 5.146 1.00 0.00 C ATOM 609 NZ LYS A 40 13.803 -12.639 4.699 1.00 0.00 N ATOM 0 H LYS A 40 8.473 -10.293 1.063 1.00 0.00 H new ATOM 0 HA LYS A 40 9.902 -8.997 3.156 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.224 -11.402 3.093 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.376 -11.673 1.800 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.224 -10.954 3.320 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.059 -10.739 4.612 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.423 -13.160 4.399 1.00 0.00 H new ATOM 0 HD3 LYS A 40 11.658 -13.354 3.171 1.00 0.00 H new ATOM 0 HE2 LYS A 40 12.168 -12.436 6.030 1.00 0.00 H new ATOM 0 HE3 LYS A 40 12.423 -14.066 5.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 14.496 -12.937 5.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 14.015 -13.109 3.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 13.856 -11.608 4.574 1.00 0.00 H new ATOM 623 N ARG A 41 11.454 -9.540 0.295 1.00 0.00 N ATOM 624 CA ARG A 41 12.577 -9.114 -0.532 1.00 0.00 C ATOM 625 C ARG A 41 12.533 -7.604 -0.743 1.00 0.00 C ATOM 626 O ARG A 41 13.566 -6.934 -0.762 1.00 0.00 O ATOM 627 CB ARG A 41 12.537 -9.840 -1.876 1.00 0.00 C ATOM 628 CG ARG A 41 13.730 -9.550 -2.769 1.00 0.00 C ATOM 629 CD ARG A 41 13.647 -10.341 -4.061 1.00 0.00 C ATOM 630 NE ARG A 41 14.827 -10.150 -4.899 1.00 0.00 N ATOM 631 CZ ARG A 41 15.317 -11.086 -5.713 1.00 0.00 C ATOM 632 NH1 ARG A 41 14.733 -12.280 -5.789 1.00 0.00 N ATOM 633 NH2 ARG A 41 16.386 -10.825 -6.456 1.00 0.00 N ATOM 0 H ARG A 41 10.799 -10.163 -0.177 1.00 0.00 H new ATOM 0 HA ARG A 41 13.508 -9.365 -0.024 1.00 0.00 H new ATOM 0 HB2 ARG A 41 12.483 -10.914 -1.696 1.00 0.00 H new ATOM 0 HB3 ARG A 41 11.625 -9.559 -2.402 1.00 0.00 H new ATOM 0 HG2 ARG A 41 13.771 -8.484 -2.993 1.00 0.00 H new ATOM 0 HG3 ARG A 41 14.652 -9.801 -2.244 1.00 0.00 H new ATOM 0 HD2 ARG A 41 13.534 -11.400 -3.830 1.00 0.00 H new ATOM 0 HD3 ARG A 41 12.758 -10.039 -4.614 1.00 0.00 H new ATOM 0 HE ARG A 41 15.304 -9.249 -4.860 1.00 0.00 H new ATOM 0 HH11 ARG A 41 13.908 -12.481 -5.224 1.00 0.00 H new ATOM 0 HH12 ARG A 41 15.110 -12.994 -6.413 1.00 0.00 H new ATOM 0 HH21 ARG A 41 16.832 -9.909 -6.404 1.00 0.00 H new ATOM 0 HH22 ARG A 41 16.761 -11.540 -7.079 1.00 0.00 H new ATOM 647 N LEU A 42 11.322 -7.078 -0.885 1.00 0.00 N ATOM 648 CA LEU A 42 11.113 -5.642 -1.005 1.00 0.00 C ATOM 649 C LEU A 42 11.628 -4.926 0.241 1.00 0.00 C ATOM 650 O LEU A 42 12.270 -3.880 0.155 1.00 0.00 O ATOM 651 CB LEU A 42 9.624 -5.349 -1.192 1.00 0.00 C ATOM 652 CG LEU A 42 9.274 -3.883 -1.441 1.00 0.00 C ATOM 653 CD1 LEU A 42 9.753 -3.449 -2.815 1.00 0.00 C ATOM 654 CD2 LEU A 42 7.777 -3.662 -1.302 1.00 0.00 C ATOM 0 H LEU A 42 10.465 -7.630 -0.920 1.00 0.00 H new ATOM 0 HA LEU A 42 11.664 -5.278 -1.872 1.00 0.00 H new ATOM 0 HB2 LEU A 42 9.256 -5.941 -2.030 1.00 0.00 H new ATOM 0 HB3 LEU A 42 9.090 -5.687 -0.304 1.00 0.00 H new ATOM 0 HG LEU A 42 9.781 -3.275 -0.692 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.496 -2.402 -2.976 1.00 0.00 H new ATOM 0 HD12 LEU A 42 10.834 -3.571 -2.879 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.273 -4.062 -3.578 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.546 -2.612 -1.483 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.249 -4.280 -2.028 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.461 -3.935 -0.295 1.00 0.00 H new ATOM 666 N SER A 43 11.356 -5.520 1.399 1.00 0.00 N ATOM 667 CA SER A 43 11.758 -4.950 2.678 1.00 0.00 C ATOM 668 C SER A 43 13.280 -4.927 2.823 1.00 0.00 C ATOM 669 O SER A 43 13.835 -4.047 3.479 1.00 0.00 O ATOM 670 CB SER A 43 11.130 -5.748 3.822 1.00 0.00 C ATOM 671 OG SER A 43 9.718 -5.807 3.683 1.00 0.00 O ATOM 0 H SER A 43 10.854 -6.404 1.476 1.00 0.00 H new ATOM 0 HA SER A 43 11.404 -3.920 2.718 1.00 0.00 H new ATOM 0 HB2 SER A 43 11.541 -6.758 3.835 1.00 0.00 H new ATOM 0 HB3 SER A 43 11.387 -5.287 4.776 1.00 0.00 H new ATOM 0 HG SER A 43 9.488 -6.368 2.913 1.00 0.00 H new ATOM 677 N LYS A 44 13.941 -5.894 2.196 1.00 0.00 N ATOM 678 CA LYS A 44 15.395 -6.005 2.250 1.00 0.00 C ATOM 679 C LYS A 44 16.062 -4.747 1.697 1.00 0.00 C ATOM 680 O LYS A 44 16.996 -4.213 2.295 1.00 0.00 O ATOM 681 CB LYS A 44 15.849 -7.233 1.452 1.00 0.00 C ATOM 682 CG LYS A 44 17.352 -7.457 1.450 1.00 0.00 C ATOM 683 CD LYS A 44 17.737 -8.629 0.557 1.00 0.00 C ATOM 684 CE LYS A 44 19.246 -8.821 0.512 1.00 0.00 C ATOM 685 NZ LYS A 44 19.641 -9.911 -0.415 1.00 0.00 N ATOM 0 H LYS A 44 13.488 -6.619 1.639 1.00 0.00 H new ATOM 0 HA LYS A 44 15.694 -6.117 3.292 1.00 0.00 H new ATOM 0 HB2 LYS A 44 15.362 -8.118 1.861 1.00 0.00 H new ATOM 0 HB3 LYS A 44 15.508 -7.129 0.422 1.00 0.00 H new ATOM 0 HG2 LYS A 44 17.856 -6.554 1.105 1.00 0.00 H new ATOM 0 HG3 LYS A 44 17.695 -7.645 2.467 1.00 0.00 H new ATOM 0 HD2 LYS A 44 17.264 -9.539 0.925 1.00 0.00 H new ATOM 0 HD3 LYS A 44 17.360 -8.459 -0.452 1.00 0.00 H new ATOM 0 HE2 LYS A 44 19.721 -7.891 0.200 1.00 0.00 H new ATOM 0 HE3 LYS A 44 19.613 -9.046 1.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 20.676 -10.008 -0.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 19.210 -10.805 -0.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 19.314 -9.685 -1.376 1.00 0.00 H new ATOM 699 N VAL A 45 15.566 -4.272 0.562 1.00 0.00 N ATOM 700 CA VAL A 45 16.183 -3.143 -0.126 1.00 0.00 C ATOM 701 C VAL A 45 15.480 -1.822 0.195 1.00 0.00 C ATOM 702 O VAL A 45 16.122 -0.845 0.588 1.00 0.00 O ATOM 703 CB VAL A 45 16.176 -3.356 -1.656 1.00 0.00 C ATOM 704 CG1 VAL A 45 16.897 -2.221 -2.365 1.00 0.00 C ATOM 705 CG2 VAL A 45 16.804 -4.694 -2.014 1.00 0.00 C ATOM 0 H VAL A 45 14.740 -4.649 0.098 1.00 0.00 H new ATOM 0 HA VAL A 45 17.211 -3.087 0.232 1.00 0.00 H new ATOM 0 HB VAL A 45 15.139 -3.362 -1.992 1.00 0.00 H new ATOM 0 HG11 VAL A 45 16.878 -2.394 -3.441 1.00 0.00 H new ATOM 0 HG12 VAL A 45 16.399 -1.277 -2.141 1.00 0.00 H new ATOM 0 HG13 VAL A 45 17.931 -2.176 -2.022 1.00 0.00 H new ATOM 0 HG21 VAL A 45 16.789 -4.825 -3.096 1.00 0.00 H new ATOM 0 HG22 VAL A 45 17.834 -4.719 -1.659 1.00 0.00 H new ATOM 0 HG23 VAL A 45 16.239 -5.499 -1.544 1.00 0.00 H new ATOM 715 N VAL A 46 14.162 -1.802 0.039 1.00 0.00 N ATOM 716 CA VAL A 46 13.395 -0.565 0.130 1.00 0.00 C ATOM 717 C VAL A 46 13.197 -0.112 1.576 1.00 0.00 C ATOM 718 O VAL A 46 13.429 1.051 1.902 1.00 0.00 O ATOM 719 CB VAL A 46 12.020 -0.714 -0.554 1.00 0.00 C ATOM 720 CG1 VAL A 46 11.198 0.560 -0.423 1.00 0.00 C ATOM 721 CG2 VAL A 46 12.195 -1.087 -2.017 1.00 0.00 C ATOM 0 H VAL A 46 13.600 -2.632 -0.152 1.00 0.00 H new ATOM 0 HA VAL A 46 13.977 0.197 -0.388 1.00 0.00 H new ATOM 0 HB VAL A 46 11.478 -1.514 -0.050 1.00 0.00 H new ATOM 0 HG11 VAL A 46 10.235 0.424 -0.915 1.00 0.00 H new ATOM 0 HG12 VAL A 46 11.038 0.783 0.632 1.00 0.00 H new ATOM 0 HG13 VAL A 46 11.731 1.387 -0.892 1.00 0.00 H new ATOM 0 HG21 VAL A 46 11.216 -1.189 -2.486 1.00 0.00 H new ATOM 0 HG22 VAL A 46 12.762 -0.308 -2.526 1.00 0.00 H new ATOM 0 HG23 VAL A 46 12.732 -2.033 -2.090 1.00 0.00 H new ATOM 731 N PHE A 47 12.810 -1.036 2.444 1.00 0.00 N ATOM 732 CA PHE A 47 12.442 -0.692 3.822 1.00 0.00 C ATOM 733 C PHE A 47 13.664 -0.374 4.680 1.00 0.00 C ATOM 734 O PHE A 47 13.561 -0.253 5.898 1.00 0.00 O ATOM 735 CB PHE A 47 11.649 -1.835 4.462 1.00 0.00 C ATOM 736 CG PHE A 47 10.245 -1.976 3.945 1.00 0.00 C ATOM 737 CD1 PHE A 47 9.994 -2.146 2.593 1.00 0.00 C ATOM 738 CD2 PHE A 47 9.173 -1.948 4.822 1.00 0.00 C ATOM 739 CE1 PHE A 47 8.705 -2.285 2.124 1.00 0.00 C ATOM 740 CE2 PHE A 47 7.879 -2.085 4.359 1.00 0.00 C ATOM 741 CZ PHE A 47 7.645 -2.254 3.008 1.00 0.00 C ATOM 0 H PHE A 47 12.741 -2.030 2.225 1.00 0.00 H new ATOM 0 HA PHE A 47 11.823 0.204 3.775 1.00 0.00 H new ATOM 0 HB2 PHE A 47 12.182 -2.771 4.293 1.00 0.00 H new ATOM 0 HB3 PHE A 47 11.613 -1.678 5.540 1.00 0.00 H new ATOM 0 HD1 PHE A 47 10.819 -2.170 1.897 1.00 0.00 H new ATOM 0 HD2 PHE A 47 9.351 -1.818 5.879 1.00 0.00 H new ATOM 0 HE1 PHE A 47 8.525 -2.418 1.067 1.00 0.00 H new ATOM 0 HE2 PHE A 47 7.051 -2.060 5.052 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.634 -2.362 2.644 1.00 0.00 H new ATOM 751 N LYS A 48 14.814 -0.231 4.048 1.00 0.00 N ATOM 752 CA LYS A 48 16.029 0.099 4.769 1.00 0.00 C ATOM 753 C LYS A 48 16.392 1.565 4.560 1.00 0.00 C ATOM 754 O LYS A 48 17.177 2.136 5.317 1.00 0.00 O ATOM 755 CB LYS A 48 17.171 -0.798 4.305 1.00 0.00 C ATOM 756 CG LYS A 48 18.396 -0.738 5.200 1.00 0.00 C ATOM 757 CD LYS A 48 19.553 -1.525 4.614 1.00 0.00 C ATOM 758 CE LYS A 48 20.746 -1.547 5.556 1.00 0.00 C ATOM 759 NZ LYS A 48 21.931 -2.196 4.932 1.00 0.00 N ATOM 0 H LYS A 48 14.932 -0.338 3.041 1.00 0.00 H new ATOM 0 HA LYS A 48 15.859 -0.066 5.833 1.00 0.00 H new ATOM 0 HB2 LYS A 48 16.816 -1.828 4.258 1.00 0.00 H new ATOM 0 HB3 LYS A 48 17.457 -0.513 3.293 1.00 0.00 H new ATOM 0 HG2 LYS A 48 18.695 0.301 5.340 1.00 0.00 H new ATOM 0 HG3 LYS A 48 18.148 -1.133 6.185 1.00 0.00 H new ATOM 0 HD2 LYS A 48 19.232 -2.546 4.408 1.00 0.00 H new ATOM 0 HD3 LYS A 48 19.848 -1.085 3.662 1.00 0.00 H new ATOM 0 HE2 LYS A 48 21.000 -0.527 5.845 1.00 0.00 H new ATOM 0 HE3 LYS A 48 20.479 -2.079 6.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 22.724 -2.192 5.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 21.697 -3.177 4.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 22.202 -1.673 4.075 1.00 0.00 H new ATOM 773 N ASP A 49 15.814 2.171 3.528 1.00 0.00 N ATOM 774 CA ASP A 49 16.104 3.566 3.211 1.00 0.00 C ATOM 775 C ASP A 49 15.458 4.481 4.242 1.00 0.00 C ATOM 776 O ASP A 49 14.262 4.378 4.517 1.00 0.00 O ATOM 777 CB ASP A 49 15.605 3.940 1.813 1.00 0.00 C ATOM 778 CG ASP A 49 16.262 5.206 1.300 1.00 0.00 C ATOM 779 OD1 ASP A 49 15.789 6.309 1.649 1.00 0.00 O ATOM 780 OD2 ASP A 49 17.258 5.104 0.552 1.00 0.00 O ATOM 0 H ASP A 49 15.147 1.722 2.900 1.00 0.00 H new ATOM 0 HA ASP A 49 17.186 3.692 3.232 1.00 0.00 H new ATOM 0 HB2 ASP A 49 15.808 3.120 1.124 1.00 0.00 H new ATOM 0 HB3 ASP A 49 14.524 4.076 1.837 1.00 0.00 H new ATOM 785 N SER A 50 16.251 5.368 4.816 1.00 0.00 N ATOM 786 CA SER A 50 15.770 6.259 5.859 1.00 0.00 C ATOM 787 C SER A 50 14.795 7.301 5.302 1.00 0.00 C ATOM 788 O SER A 50 13.866 7.729 5.993 1.00 0.00 O ATOM 789 CB SER A 50 16.959 6.934 6.539 1.00 0.00 C ATOM 790 OG SER A 50 17.880 5.959 7.006 1.00 0.00 O ATOM 0 H SER A 50 17.235 5.491 4.577 1.00 0.00 H new ATOM 0 HA SER A 50 15.223 5.670 6.595 1.00 0.00 H new ATOM 0 HB2 SER A 50 17.454 7.605 5.838 1.00 0.00 H new ATOM 0 HB3 SER A 50 16.611 7.544 7.373 1.00 0.00 H new ATOM 0 HG SER A 50 18.638 6.405 7.438 1.00 0.00 H new ATOM 796 N LEU A 51 15.008 7.701 4.053 1.00 0.00 N ATOM 797 CA LEU A 51 14.162 8.703 3.412 1.00 0.00 C ATOM 798 C LEU A 51 12.791 8.132 3.085 1.00 0.00 C ATOM 799 O LEU A 51 11.772 8.729 3.421 1.00 0.00 O ATOM 800 CB LEU A 51 14.826 9.241 2.140 1.00 0.00 C ATOM 801 CG LEU A 51 13.998 10.258 1.343 1.00 0.00 C ATOM 802 CD1 LEU A 51 13.649 11.466 2.196 1.00 0.00 C ATOM 803 CD2 LEU A 51 14.749 10.694 0.094 1.00 0.00 C ATOM 0 H LEU A 51 15.761 7.346 3.463 1.00 0.00 H new ATOM 0 HA LEU A 51 14.033 9.527 4.114 1.00 0.00 H new ATOM 0 HB2 LEU A 51 15.774 9.705 2.414 1.00 0.00 H new ATOM 0 HB3 LEU A 51 15.060 8.399 1.489 1.00 0.00 H new ATOM 0 HG LEU A 51 13.069 9.774 1.043 1.00 0.00 H new ATOM 0 HD11 LEU A 51 13.062 12.170 1.606 1.00 0.00 H new ATOM 0 HD12 LEU A 51 13.069 11.145 3.061 1.00 0.00 H new ATOM 0 HD13 LEU A 51 14.565 11.950 2.533 1.00 0.00 H new ATOM 0 HD21 LEU A 51 14.147 11.415 -0.459 1.00 0.00 H new ATOM 0 HD22 LEU A 51 15.695 11.154 0.380 1.00 0.00 H new ATOM 0 HD23 LEU A 51 14.944 9.826 -0.535 1.00 0.00 H new ATOM 815 N VAL A 52 12.775 6.972 2.433 1.00 0.00 N ATOM 816 CA VAL A 52 11.532 6.362 1.969 1.00 0.00 C ATOM 817 C VAL A 52 10.551 6.134 3.118 1.00 0.00 C ATOM 818 O VAL A 52 9.344 6.321 2.967 1.00 0.00 O ATOM 819 CB VAL A 52 11.795 5.025 1.247 1.00 0.00 C ATOM 820 CG1 VAL A 52 12.764 5.209 0.091 1.00 0.00 C ATOM 821 CG2 VAL A 52 12.286 3.952 2.204 1.00 0.00 C ATOM 0 H VAL A 52 13.613 6.434 2.213 1.00 0.00 H new ATOM 0 HA VAL A 52 11.087 7.064 1.264 1.00 0.00 H new ATOM 0 HB VAL A 52 10.842 4.685 0.840 1.00 0.00 H new ATOM 0 HG11 VAL A 52 12.931 4.250 -0.400 1.00 0.00 H new ATOM 0 HG12 VAL A 52 12.345 5.916 -0.626 1.00 0.00 H new ATOM 0 HG13 VAL A 52 13.712 5.593 0.468 1.00 0.00 H new ATOM 0 HG21 VAL A 52 12.459 3.026 1.655 1.00 0.00 H new ATOM 0 HG22 VAL A 52 13.216 4.277 2.669 1.00 0.00 H new ATOM 0 HG23 VAL A 52 11.535 3.781 2.975 1.00 0.00 H new ATOM 831 N ALA A 53 11.086 5.725 4.254 1.00 0.00 N ATOM 832 CA ALA A 53 10.288 5.484 5.447 1.00 0.00 C ATOM 833 C ALA A 53 9.553 6.745 5.886 1.00 0.00 C ATOM 834 O ALA A 53 8.333 6.738 6.035 1.00 0.00 O ATOM 835 CB ALA A 53 11.180 4.978 6.568 1.00 0.00 C ATOM 0 H ALA A 53 12.083 5.550 4.378 1.00 0.00 H new ATOM 0 HA ALA A 53 9.539 4.728 5.211 1.00 0.00 H new ATOM 0 HB1 ALA A 53 10.578 4.799 7.459 1.00 0.00 H new ATOM 0 HB2 ALA A 53 11.659 4.048 6.261 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.944 5.723 6.790 1.00 0.00 H new ATOM 841 N ASP A 54 10.292 7.835 6.049 1.00 0.00 N ATOM 842 CA ASP A 54 9.700 9.097 6.489 1.00 0.00 C ATOM 843 C ASP A 54 8.780 9.646 5.405 1.00 0.00 C ATOM 844 O ASP A 54 7.745 10.253 5.687 1.00 0.00 O ATOM 845 CB ASP A 54 10.800 10.111 6.819 1.00 0.00 C ATOM 846 CG ASP A 54 10.257 11.391 7.424 1.00 0.00 C ATOM 847 OD1 ASP A 54 10.009 11.413 8.648 1.00 0.00 O ATOM 848 OD2 ASP A 54 10.092 12.383 6.687 1.00 0.00 O ATOM 0 H ASP A 54 11.298 7.874 5.885 1.00 0.00 H new ATOM 0 HA ASP A 54 9.113 8.918 7.390 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.509 9.659 7.513 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.352 10.350 5.910 1.00 0.00 H new ATOM 853 N TYR A 55 9.178 9.398 4.165 1.00 0.00 N ATOM 854 CA TYR A 55 8.417 9.777 2.985 1.00 0.00 C ATOM 855 C TYR A 55 6.991 9.228 3.066 1.00 0.00 C ATOM 856 O TYR A 55 6.019 9.987 3.059 1.00 0.00 O ATOM 857 CB TYR A 55 9.141 9.217 1.755 1.00 0.00 C ATOM 858 CG TYR A 55 8.646 9.701 0.411 1.00 0.00 C ATOM 859 CD1 TYR A 55 7.595 9.067 -0.242 1.00 0.00 C ATOM 860 CD2 TYR A 55 9.264 10.769 -0.225 1.00 0.00 C ATOM 861 CE1 TYR A 55 7.181 9.484 -1.492 1.00 0.00 C ATOM 862 CE2 TYR A 55 8.848 11.196 -1.469 1.00 0.00 C ATOM 863 CZ TYR A 55 7.808 10.549 -2.099 1.00 0.00 C ATOM 864 OH TYR A 55 7.411 10.955 -3.353 1.00 0.00 O ATOM 0 H TYR A 55 10.053 8.920 3.948 1.00 0.00 H new ATOM 0 HA TYR A 55 8.347 10.863 2.917 1.00 0.00 H new ATOM 0 HB2 TYR A 55 10.200 9.463 1.839 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.064 8.130 1.777 1.00 0.00 H new ATOM 0 HD1 TYR A 55 7.095 8.237 0.235 1.00 0.00 H new ATOM 0 HD2 TYR A 55 10.085 11.274 0.263 1.00 0.00 H new ATOM 0 HE1 TYR A 55 6.369 8.977 -1.991 1.00 0.00 H new ATOM 0 HE2 TYR A 55 9.335 12.033 -1.946 1.00 0.00 H new ATOM 0 HH TYR A 55 7.580 11.915 -3.455 1.00 0.00 H new ATOM 874 N PHE A 56 6.876 7.910 3.177 1.00 0.00 N ATOM 875 CA PHE A 56 5.577 7.257 3.181 1.00 0.00 C ATOM 876 C PHE A 56 4.858 7.398 4.520 1.00 0.00 C ATOM 877 O PHE A 56 3.694 7.792 4.559 1.00 0.00 O ATOM 878 CB PHE A 56 5.717 5.778 2.828 1.00 0.00 C ATOM 879 CG PHE A 56 5.966 5.519 1.371 1.00 0.00 C ATOM 880 CD1 PHE A 56 4.936 5.634 0.448 1.00 0.00 C ATOM 881 CD2 PHE A 56 7.221 5.150 0.923 1.00 0.00 C ATOM 882 CE1 PHE A 56 5.157 5.387 -0.894 1.00 0.00 C ATOM 883 CE2 PHE A 56 7.450 4.901 -0.416 1.00 0.00 C ATOM 884 CZ PHE A 56 6.416 5.020 -1.326 1.00 0.00 C ATOM 0 H PHE A 56 7.668 7.274 3.265 1.00 0.00 H new ATOM 0 HA PHE A 56 4.973 7.759 2.425 1.00 0.00 H new ATOM 0 HB2 PHE A 56 6.537 5.353 3.407 1.00 0.00 H new ATOM 0 HB3 PHE A 56 4.809 5.256 3.129 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.950 5.920 0.782 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.033 5.055 1.629 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.347 5.481 -1.602 1.00 0.00 H new ATOM 0 HE2 PHE A 56 8.435 4.614 -0.752 1.00 0.00 H new ATOM 0 HZ PHE A 56 6.593 4.826 -2.374 1.00 0.00 H new ATOM 894 N ASN A 57 5.549 7.084 5.615 1.00 0.00 N ATOM 895 CA ASN A 57 4.915 7.015 6.931 1.00 0.00 C ATOM 896 C ASN A 57 4.308 8.351 7.349 1.00 0.00 C ATOM 897 O ASN A 57 3.282 8.389 8.029 1.00 0.00 O ATOM 898 CB ASN A 57 5.914 6.543 7.996 1.00 0.00 C ATOM 899 CG ASN A 57 6.385 5.112 7.777 1.00 0.00 C ATOM 900 OD1 ASN A 57 5.682 4.296 7.184 1.00 0.00 O ATOM 901 ND2 ASN A 57 7.569 4.791 8.280 1.00 0.00 N ATOM 0 H ASN A 57 6.547 6.874 5.617 1.00 0.00 H new ATOM 0 HA ASN A 57 4.105 6.290 6.851 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.778 7.208 7.996 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.452 6.621 8.980 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.924 3.840 8.181 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.125 5.495 8.766 1.00 0.00 H new ATOM 908 N ARG A 58 4.935 9.446 6.950 1.00 0.00 N ATOM 909 CA ARG A 58 4.450 10.767 7.328 1.00 0.00 C ATOM 910 C ARG A 58 3.444 11.323 6.320 1.00 0.00 C ATOM 911 O ARG A 58 2.422 11.889 6.709 1.00 0.00 O ATOM 912 CB ARG A 58 5.616 11.737 7.496 1.00 0.00 C ATOM 913 CG ARG A 58 6.567 11.348 8.616 1.00 0.00 C ATOM 914 CD ARG A 58 5.865 11.313 9.964 1.00 0.00 C ATOM 915 NE ARG A 58 6.759 10.859 11.028 1.00 0.00 N ATOM 916 CZ ARG A 58 6.575 11.114 12.321 1.00 0.00 C ATOM 917 NH1 ARG A 58 5.508 11.790 12.728 1.00 0.00 N ATOM 918 NH2 ARG A 58 7.453 10.680 13.213 1.00 0.00 N ATOM 0 H ARG A 58 5.774 9.449 6.370 1.00 0.00 H new ATOM 0 HA ARG A 58 3.933 10.658 8.281 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.172 11.791 6.560 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.224 12.735 7.692 1.00 0.00 H new ATOM 0 HG2 ARG A 58 6.997 10.369 8.404 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.393 12.058 8.655 1.00 0.00 H new ATOM 0 HD2 ARG A 58 5.489 12.307 10.204 1.00 0.00 H new ATOM 0 HD3 ARG A 58 5.001 10.651 9.907 1.00 0.00 H new ATOM 0 HE ARG A 58 7.577 10.311 10.762 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.822 12.118 12.048 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.374 11.982 13.721 1.00 0.00 H new ATOM 0 HH21 ARG A 58 8.270 10.150 12.909 1.00 0.00 H new ATOM 0 HH22 ARG A 58 7.312 10.875 14.204 1.00 0.00 H new ATOM 932 N HIS A 59 3.722 11.161 5.028 1.00 0.00 N ATOM 933 CA HIS A 59 2.889 11.787 3.997 1.00 0.00 C ATOM 934 C HIS A 59 1.631 10.980 3.681 1.00 0.00 C ATOM 935 O HIS A 59 0.604 11.551 3.311 1.00 0.00 O ATOM 936 CB HIS A 59 3.680 12.002 2.707 1.00 0.00 C ATOM 937 CG HIS A 59 4.554 13.221 2.714 1.00 0.00 C ATOM 938 ND1 HIS A 59 4.067 14.492 2.504 1.00 0.00 N ATOM 939 CD2 HIS A 59 5.892 13.356 2.882 1.00 0.00 C ATOM 940 CE1 HIS A 59 5.064 15.354 2.538 1.00 0.00 C ATOM 941 NE2 HIS A 59 6.184 14.696 2.765 1.00 0.00 N ATOM 0 H HIS A 59 4.504 10.611 4.671 1.00 0.00 H new ATOM 0 HA HIS A 59 2.579 12.748 4.407 1.00 0.00 H new ATOM 0 HB2 HIS A 59 4.301 11.125 2.525 1.00 0.00 H new ATOM 0 HB3 HIS A 59 2.981 12.075 1.874 1.00 0.00 H new ATOM 0 HD2 HIS A 59 6.597 12.561 3.072 1.00 0.00 H new ATOM 0 HE1 HIS A 59 4.978 16.422 2.402 1.00 0.00 H new ATOM 0 HE2 HIS A 59 7.113 15.111 2.841 1.00 0.00 H new ATOM 950 N PHE A 60 1.702 9.665 3.817 1.00 0.00 N ATOM 951 CA PHE A 60 0.597 8.808 3.399 1.00 0.00 C ATOM 952 C PHE A 60 0.089 7.957 4.553 1.00 0.00 C ATOM 953 O PHE A 60 0.735 7.857 5.600 1.00 0.00 O ATOM 954 CB PHE A 60 1.033 7.902 2.242 1.00 0.00 C ATOM 955 CG PHE A 60 1.568 8.651 1.054 1.00 0.00 C ATOM 956 CD1 PHE A 60 0.722 9.392 0.246 1.00 0.00 C ATOM 957 CD2 PHE A 60 2.918 8.616 0.750 1.00 0.00 C ATOM 958 CE1 PHE A 60 1.213 10.083 -0.845 1.00 0.00 C ATOM 959 CE2 PHE A 60 3.416 9.304 -0.339 1.00 0.00 C ATOM 960 CZ PHE A 60 2.563 10.039 -1.138 1.00 0.00 C ATOM 0 H PHE A 60 2.503 9.169 4.209 1.00 0.00 H new ATOM 0 HA PHE A 60 -0.215 9.454 3.066 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.798 7.213 2.600 1.00 0.00 H new ATOM 0 HB3 PHE A 60 0.183 7.297 1.926 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -0.334 9.430 0.471 1.00 0.00 H new ATOM 0 HD2 PHE A 60 3.590 8.044 1.372 1.00 0.00 H new ATOM 0 HE1 PHE A 60 0.543 10.657 -1.468 1.00 0.00 H new ATOM 0 HE2 PHE A 60 4.471 9.267 -0.565 1.00 0.00 H new ATOM 0 HZ PHE A 60 2.950 10.578 -1.990 1.00 0.00 H new ATOM 970 N VAL A 61 -1.081 7.365 4.361 1.00 0.00 N ATOM 971 CA VAL A 61 -1.629 6.419 5.320 1.00 0.00 C ATOM 972 C VAL A 61 -1.267 5.007 4.890 1.00 0.00 C ATOM 973 O VAL A 61 -1.772 4.515 3.885 1.00 0.00 O ATOM 974 CB VAL A 61 -3.168 6.532 5.426 1.00 0.00 C ATOM 975 CG1 VAL A 61 -3.712 5.558 6.462 1.00 0.00 C ATOM 976 CG2 VAL A 61 -3.581 7.958 5.758 1.00 0.00 C ATOM 0 H VAL A 61 -1.671 7.525 3.545 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.204 6.649 6.297 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.595 6.270 4.458 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.796 5.655 6.519 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.454 4.539 6.174 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.276 5.781 7.436 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.667 8.015 5.828 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.140 8.252 6.710 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.232 8.630 4.974 1.00 0.00 H new ATOM 986 N ASN A 62 -0.388 4.364 5.638 1.00 0.00 N ATOM 987 CA ASN A 62 0.093 3.037 5.277 1.00 0.00 C ATOM 988 C ASN A 62 -0.748 1.965 5.947 1.00 0.00 C ATOM 989 O ASN A 62 -0.709 1.801 7.166 1.00 0.00 O ATOM 990 CB ASN A 62 1.565 2.876 5.662 1.00 0.00 C ATOM 991 CG ASN A 62 2.454 3.887 4.964 1.00 0.00 C ATOM 992 OD1 ASN A 62 2.967 3.635 3.874 1.00 0.00 O ATOM 993 ND2 ASN A 62 2.635 5.043 5.585 1.00 0.00 N ATOM 0 H ASN A 62 0.009 4.737 6.500 1.00 0.00 H new ATOM 0 HA ASN A 62 0.003 2.923 4.197 1.00 0.00 H new ATOM 0 HB2 ASN A 62 1.671 2.986 6.741 1.00 0.00 H new ATOM 0 HB3 ASN A 62 1.896 1.869 5.410 1.00 0.00 H new ATOM 0 HD21 ASN A 62 3.218 5.764 5.160 1.00 0.00 H new ATOM 0 HD22 ASN A 62 2.191 5.212 6.488 1.00 0.00 H new ATOM 1000 N LEU A 63 -1.510 1.245 5.142 1.00 0.00 N ATOM 1001 CA LEU A 63 -2.422 0.231 5.644 1.00 0.00 C ATOM 1002 C LEU A 63 -1.940 -1.171 5.287 1.00 0.00 C ATOM 1003 O LEU A 63 -1.500 -1.417 4.166 1.00 0.00 O ATOM 1004 CB LEU A 63 -3.817 0.461 5.059 1.00 0.00 C ATOM 1005 CG LEU A 63 -4.845 -0.623 5.373 1.00 0.00 C ATOM 1006 CD1 LEU A 63 -5.165 -0.656 6.860 1.00 0.00 C ATOM 1007 CD2 LEU A 63 -6.103 -0.404 4.554 1.00 0.00 C ATOM 0 H LEU A 63 -1.515 1.346 4.127 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.458 0.312 6.730 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.195 1.414 5.428 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.728 0.551 3.976 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.420 -1.590 5.104 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.900 -1.437 7.057 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.255 -0.863 7.423 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.570 0.309 7.167 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.829 -1.183 4.787 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.528 0.571 4.793 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.857 -0.442 3.493 1.00 0.00 H new ATOM 1019 N LYS A 64 -2.029 -2.079 6.247 1.00 0.00 N ATOM 1020 CA LYS A 64 -1.690 -3.478 6.024 1.00 0.00 C ATOM 1021 C LYS A 64 -2.936 -4.346 6.170 1.00 0.00 C ATOM 1022 O LYS A 64 -3.591 -4.324 7.213 1.00 0.00 O ATOM 1023 CB LYS A 64 -0.615 -3.925 7.022 1.00 0.00 C ATOM 1024 CG LYS A 64 -0.297 -5.413 6.971 1.00 0.00 C ATOM 1025 CD LYS A 64 0.837 -5.768 7.921 1.00 0.00 C ATOM 1026 CE LYS A 64 1.045 -7.273 8.017 1.00 0.00 C ATOM 1027 NZ LYS A 64 -0.125 -7.961 8.626 1.00 0.00 N ATOM 0 H LYS A 64 -2.336 -1.870 7.197 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.298 -3.590 5.013 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.299 -3.363 6.831 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.942 -3.669 8.030 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.186 -5.986 7.232 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.024 -5.694 5.954 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.758 -5.295 7.580 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.620 -5.367 8.911 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.225 -7.678 7.021 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.936 -7.478 8.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.159 -8.907 8.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.472 -7.406 9.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.882 -8.052 7.918 1.00 0.00 H new ATOM 1041 N MET A 65 -3.275 -5.091 5.125 1.00 0.00 N ATOM 1042 CA MET A 65 -4.426 -5.987 5.168 1.00 0.00 C ATOM 1043 C MET A 65 -4.081 -7.331 4.545 1.00 0.00 C ATOM 1044 O MET A 65 -3.125 -7.436 3.777 1.00 0.00 O ATOM 1045 CB MET A 65 -5.627 -5.373 4.443 1.00 0.00 C ATOM 1046 CG MET A 65 -6.226 -4.168 5.151 1.00 0.00 C ATOM 1047 SD MET A 65 -7.717 -3.551 4.343 1.00 0.00 S ATOM 1048 CE MET A 65 -8.798 -4.976 4.485 1.00 0.00 C ATOM 0 H MET A 65 -2.771 -5.093 4.238 1.00 0.00 H new ATOM 0 HA MET A 65 -4.691 -6.138 6.214 1.00 0.00 H new ATOM 0 HB2 MET A 65 -5.320 -5.077 3.440 1.00 0.00 H new ATOM 0 HB3 MET A 65 -6.398 -6.135 4.329 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.461 -4.437 6.181 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.484 -3.371 5.192 1.00 0.00 H new ATOM 0 HE1 MET A 65 -9.837 -4.650 4.438 1.00 0.00 H new ATOM 0 HE2 MET A 65 -8.597 -5.668 3.667 1.00 0.00 H new ATOM 0 HE3 MET A 65 -8.617 -5.477 5.436 1.00 0.00 H new ATOM 1058 N ASP A 66 -4.841 -8.360 4.895 1.00 0.00 N ATOM 1059 CA ASP A 66 -4.633 -9.681 4.320 1.00 0.00 C ATOM 1060 C ASP A 66 -5.614 -9.938 3.199 1.00 0.00 C ATOM 1061 O ASP A 66 -6.699 -9.354 3.152 1.00 0.00 O ATOM 1062 CB ASP A 66 -4.726 -10.805 5.354 1.00 0.00 C ATOM 1063 CG ASP A 66 -5.237 -10.359 6.709 1.00 0.00 C ATOM 1064 OD1 ASP A 66 -4.424 -9.926 7.551 1.00 0.00 O ATOM 1065 OD2 ASP A 66 -6.458 -10.452 6.947 1.00 0.00 O ATOM 0 H ASP A 66 -5.603 -8.306 5.571 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.616 -9.684 3.927 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.383 -11.585 4.969 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.740 -11.252 5.479 1.00 0.00 H new ATOM 1070 N MET A 67 -5.229 -10.835 2.313 1.00 0.00 N ATOM 1071 CA MET A 67 -5.902 -10.996 1.037 1.00 0.00 C ATOM 1072 C MET A 67 -6.958 -12.093 1.062 1.00 0.00 C ATOM 1073 O MET A 67 -7.872 -12.102 0.234 1.00 0.00 O ATOM 1074 CB MET A 67 -4.863 -11.314 -0.025 1.00 0.00 C ATOM 1075 CG MET A 67 -5.210 -10.752 -1.389 1.00 0.00 C ATOM 1076 SD MET A 67 -5.404 -8.964 -1.354 1.00 0.00 S ATOM 1077 CE MET A 67 -5.906 -8.655 -3.039 1.00 0.00 C ATOM 0 H MET A 67 -4.444 -11.471 2.455 1.00 0.00 H new ATOM 0 HA MET A 67 -6.419 -10.063 0.813 1.00 0.00 H new ATOM 0 HB2 MET A 67 -3.898 -10.916 0.290 1.00 0.00 H new ATOM 0 HB3 MET A 67 -4.752 -12.396 -0.103 1.00 0.00 H new ATOM 0 HG2 MET A 67 -4.428 -11.018 -2.100 1.00 0.00 H new ATOM 0 HG3 MET A 67 -6.133 -11.210 -1.745 1.00 0.00 H new ATOM 0 HE1 MET A 67 -5.341 -7.813 -3.438 1.00 0.00 H new ATOM 0 HE2 MET A 67 -5.713 -9.541 -3.644 1.00 0.00 H new ATOM 0 HE3 MET A 67 -6.971 -8.422 -3.065 1.00 0.00 H new ATOM 1087 N GLU A 68 -6.851 -13.015 2.003 1.00 0.00 N ATOM 1088 CA GLU A 68 -7.816 -14.095 2.078 1.00 0.00 C ATOM 1089 C GLU A 68 -8.625 -13.975 3.355 1.00 0.00 C ATOM 1090 O GLU A 68 -8.217 -14.424 4.427 1.00 0.00 O ATOM 1091 CB GLU A 68 -7.146 -15.468 1.969 1.00 0.00 C ATOM 1092 CG GLU A 68 -8.148 -16.608 1.871 1.00 0.00 C ATOM 1093 CD GLU A 68 -7.557 -17.862 1.265 1.00 0.00 C ATOM 1094 OE1 GLU A 68 -7.578 -17.989 0.023 1.00 0.00 O ATOM 1095 OE2 GLU A 68 -7.092 -18.736 2.021 1.00 0.00 O ATOM 0 H GLU A 68 -6.119 -13.038 2.713 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.490 -14.009 1.226 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.499 -15.483 1.092 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -6.508 -15.625 2.838 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.529 -16.836 2.866 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.999 -16.286 1.270 1.00 0.00 H new ATOM 1102 N LYS A 69 -9.758 -13.317 3.209 1.00 0.00 N ATOM 1103 CA LYS A 69 -10.667 -13.027 4.295 1.00 0.00 C ATOM 1104 C LYS A 69 -12.010 -12.645 3.679 1.00 0.00 C ATOM 1105 O LYS A 69 -12.054 -12.296 2.496 1.00 0.00 O ATOM 1106 CB LYS A 69 -10.101 -11.874 5.142 1.00 0.00 C ATOM 1107 CG LYS A 69 -11.050 -11.356 6.207 1.00 0.00 C ATOM 1108 CD LYS A 69 -10.485 -10.141 6.924 1.00 0.00 C ATOM 1109 CE LYS A 69 -9.423 -10.522 7.941 1.00 0.00 C ATOM 1110 NZ LYS A 69 -9.998 -11.289 9.080 1.00 0.00 N ATOM 0 H LYS A 69 -10.078 -12.961 2.308 1.00 0.00 H new ATOM 0 HA LYS A 69 -10.793 -13.891 4.948 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.182 -12.209 5.623 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.832 -11.051 4.480 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -12.004 -11.096 5.748 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -11.249 -12.146 6.932 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.057 -9.455 6.193 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -11.293 -9.608 7.426 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.651 -11.118 7.454 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.940 -9.620 8.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -9.343 -11.254 9.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.910 -10.871 9.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -10.143 -12.278 8.794 1.00 0.00 H new ATOM 1124 N GLY A 70 -13.087 -12.712 4.456 1.00 0.00 N ATOM 1125 CA GLY A 70 -14.398 -12.334 3.947 1.00 0.00 C ATOM 1126 C GLY A 70 -14.396 -10.942 3.340 1.00 0.00 C ATOM 1127 O GLY A 70 -15.020 -10.702 2.304 1.00 0.00 O ATOM 0 H GLY A 70 -13.078 -13.021 5.428 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -14.716 -13.056 3.195 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -15.126 -12.375 4.757 1.00 0.00 H new ATOM 1131 N GLU A 71 -13.686 -10.030 3.985 1.00 0.00 N ATOM 1132 CA GLU A 71 -13.549 -8.670 3.491 1.00 0.00 C ATOM 1133 C GLU A 71 -12.487 -8.595 2.392 1.00 0.00 C ATOM 1134 O GLU A 71 -12.648 -7.868 1.412 1.00 0.00 O ATOM 1135 CB GLU A 71 -13.192 -7.710 4.634 1.00 0.00 C ATOM 1136 CG GLU A 71 -14.227 -7.653 5.753 1.00 0.00 C ATOM 1137 CD GLU A 71 -14.016 -8.707 6.829 1.00 0.00 C ATOM 1138 OE1 GLU A 71 -14.292 -9.899 6.577 1.00 0.00 O ATOM 1139 OE2 GLU A 71 -13.595 -8.342 7.947 1.00 0.00 O ATOM 0 H GLU A 71 -13.192 -10.210 4.859 1.00 0.00 H new ATOM 0 HA GLU A 71 -14.508 -8.369 3.069 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -12.233 -8.008 5.057 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -13.062 -6.708 4.224 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -14.199 -6.665 6.213 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -15.221 -7.777 5.324 1.00 0.00 H new ATOM 1146 N GLY A 72 -11.413 -9.367 2.552 1.00 0.00 N ATOM 1147 CA GLY A 72 -10.331 -9.354 1.583 1.00 0.00 C ATOM 1148 C GLY A 72 -10.772 -9.802 0.203 1.00 0.00 C ATOM 1149 O GLY A 72 -10.425 -9.178 -0.798 1.00 0.00 O ATOM 0 H GLY A 72 -11.274 -10.002 3.338 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.919 -8.347 1.519 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -9.529 -10.004 1.932 1.00 0.00 H new ATOM 1153 N VAL A 73 -11.560 -10.869 0.150 1.00 0.00 N ATOM 1154 CA VAL A 73 -12.033 -11.406 -1.121 1.00 0.00 C ATOM 1155 C VAL A 73 -12.995 -10.424 -1.795 1.00 0.00 C ATOM 1156 O VAL A 73 -13.083 -10.367 -3.024 1.00 0.00 O ATOM 1157 CB VAL A 73 -12.715 -12.788 -0.945 1.00 0.00 C ATOM 1158 CG1 VAL A 73 -14.003 -12.676 -0.141 1.00 0.00 C ATOM 1159 CG2 VAL A 73 -12.974 -13.434 -2.297 1.00 0.00 C ATOM 0 H VAL A 73 -11.885 -11.379 0.971 1.00 0.00 H new ATOM 0 HA VAL A 73 -11.161 -11.545 -1.760 1.00 0.00 H new ATOM 0 HB VAL A 73 -12.033 -13.426 -0.384 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -14.454 -13.663 -0.037 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -13.781 -12.273 0.847 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -14.697 -12.012 -0.656 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -13.453 -14.402 -2.152 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -13.627 -12.792 -2.888 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -12.028 -13.572 -2.822 1.00 0.00 H new ATOM 1169 N GLU A 74 -13.689 -9.630 -0.982 1.00 0.00 N ATOM 1170 CA GLU A 74 -14.600 -8.619 -1.499 1.00 0.00 C ATOM 1171 C GLU A 74 -13.811 -7.507 -2.173 1.00 0.00 C ATOM 1172 O GLU A 74 -14.135 -7.076 -3.281 1.00 0.00 O ATOM 1173 CB GLU A 74 -15.453 -8.039 -0.367 1.00 0.00 C ATOM 1174 CG GLU A 74 -16.516 -7.067 -0.849 1.00 0.00 C ATOM 1175 CD GLU A 74 -17.347 -6.496 0.278 1.00 0.00 C ATOM 1176 OE1 GLU A 74 -17.914 -7.287 1.061 1.00 0.00 O ATOM 1177 OE2 GLU A 74 -17.452 -5.255 0.376 1.00 0.00 O ATOM 0 H GLU A 74 -13.636 -9.669 0.036 1.00 0.00 H new ATOM 0 HA GLU A 74 -15.260 -9.086 -2.230 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -15.935 -8.856 0.170 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -14.802 -7.531 0.344 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -16.036 -6.251 -1.389 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -17.172 -7.575 -1.556 1.00 0.00 H new ATOM 1184 N LEU A 75 -12.760 -7.057 -1.500 1.00 0.00 N ATOM 1185 CA LEU A 75 -11.901 -6.010 -2.033 1.00 0.00 C ATOM 1186 C LEU A 75 -11.142 -6.510 -3.253 1.00 0.00 C ATOM 1187 O LEU A 75 -10.905 -5.760 -4.199 1.00 0.00 O ATOM 1188 CB LEU A 75 -10.919 -5.526 -0.964 1.00 0.00 C ATOM 1189 CG LEU A 75 -11.563 -4.932 0.290 1.00 0.00 C ATOM 1190 CD1 LEU A 75 -10.495 -4.456 1.261 1.00 0.00 C ATOM 1191 CD2 LEU A 75 -12.501 -3.791 -0.074 1.00 0.00 C ATOM 0 H LEU A 75 -12.482 -7.402 -0.581 1.00 0.00 H new ATOM 0 HA LEU A 75 -12.531 -5.173 -2.334 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -10.288 -6.364 -0.667 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -10.265 -4.775 -1.407 1.00 0.00 H new ATOM 0 HG LEU A 75 -12.149 -5.712 0.776 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -10.970 -4.036 2.148 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -9.866 -5.297 1.551 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -9.882 -3.692 0.782 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -12.948 -3.384 0.833 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -11.941 -3.008 -0.586 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -13.288 -4.162 -0.731 1.00 0.00 H new ATOM 1203 N ARG A 76 -10.778 -7.785 -3.235 1.00 0.00 N ATOM 1204 CA ARG A 76 -10.062 -8.393 -4.347 1.00 0.00 C ATOM 1205 C ARG A 76 -10.900 -8.314 -5.620 1.00 0.00 C ATOM 1206 O ARG A 76 -10.382 -8.049 -6.703 1.00 0.00 O ATOM 1207 CB ARG A 76 -9.715 -9.844 -4.016 1.00 0.00 C ATOM 1208 CG ARG A 76 -8.609 -10.418 -4.882 1.00 0.00 C ATOM 1209 CD ARG A 76 -8.112 -11.752 -4.349 1.00 0.00 C ATOM 1210 NE ARG A 76 -6.831 -12.131 -4.941 1.00 0.00 N ATOM 1211 CZ ARG A 76 -6.262 -13.330 -4.797 1.00 0.00 C ATOM 1212 NH1 ARG A 76 -6.839 -14.258 -4.041 1.00 0.00 N ATOM 1213 NH2 ARG A 76 -5.097 -13.583 -5.380 1.00 0.00 N ATOM 0 H ARG A 76 -10.968 -8.420 -2.459 1.00 0.00 H new ATOM 0 HA ARG A 76 -9.134 -7.846 -4.514 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -9.416 -9.907 -2.970 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -10.609 -10.457 -4.129 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -8.974 -10.547 -5.901 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -7.779 -9.713 -4.928 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -8.009 -11.694 -3.265 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -8.852 -12.525 -4.558 1.00 0.00 H new ATOM 0 HE ARG A 76 -6.340 -11.434 -5.501 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -7.720 -14.055 -3.568 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -6.401 -15.173 -3.933 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -4.638 -12.862 -5.937 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -4.660 -14.498 -5.271 1.00 0.00 H new ATOM 1227 N LYS A 77 -12.204 -8.521 -5.470 1.00 0.00 N ATOM 1228 CA LYS A 77 -13.141 -8.412 -6.583 1.00 0.00 C ATOM 1229 C LYS A 77 -13.410 -6.943 -6.913 1.00 0.00 C ATOM 1230 O LYS A 77 -13.549 -6.567 -8.078 1.00 0.00 O ATOM 1231 CB LYS A 77 -14.454 -9.121 -6.222 1.00 0.00 C ATOM 1232 CG LYS A 77 -15.531 -9.038 -7.295 1.00 0.00 C ATOM 1233 CD LYS A 77 -15.092 -9.706 -8.585 1.00 0.00 C ATOM 1234 CE LYS A 77 -16.183 -9.653 -9.645 1.00 0.00 C ATOM 1235 NZ LYS A 77 -16.567 -8.259 -9.993 1.00 0.00 N ATOM 0 H LYS A 77 -12.639 -8.767 -4.581 1.00 0.00 H new ATOM 0 HA LYS A 77 -12.704 -8.888 -7.461 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -14.242 -10.171 -6.018 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -14.844 -8.690 -5.300 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -16.443 -9.512 -6.932 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -15.771 -7.993 -7.490 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -14.194 -9.216 -8.962 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -14.828 -10.745 -8.386 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -15.839 -10.167 -10.542 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -17.061 -10.190 -9.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -17.170 -8.266 -10.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -17.089 -7.835 -9.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -15.711 -7.700 -10.182 1.00 0.00 H new ATOM 1249 N LYS A 78 -13.452 -6.124 -5.870 1.00 0.00 N ATOM 1250 CA LYS A 78 -13.802 -4.710 -5.983 1.00 0.00 C ATOM 1251 C LYS A 78 -12.793 -3.945 -6.837 1.00 0.00 C ATOM 1252 O LYS A 78 -13.164 -3.068 -7.616 1.00 0.00 O ATOM 1253 CB LYS A 78 -13.887 -4.101 -4.578 1.00 0.00 C ATOM 1254 CG LYS A 78 -14.373 -2.659 -4.531 1.00 0.00 C ATOM 1255 CD LYS A 78 -14.600 -2.219 -3.092 1.00 0.00 C ATOM 1256 CE LYS A 78 -15.199 -0.823 -2.995 1.00 0.00 C ATOM 1257 NZ LYS A 78 -14.254 0.235 -3.444 1.00 0.00 N ATOM 0 H LYS A 78 -13.244 -6.421 -4.917 1.00 0.00 H new ATOM 0 HA LYS A 78 -14.769 -4.630 -6.480 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -14.555 -4.714 -3.972 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -12.901 -4.152 -4.116 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -13.640 -2.007 -5.006 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -15.299 -2.563 -5.097 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -15.263 -2.930 -2.599 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -13.652 -2.242 -2.555 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -16.105 -0.777 -3.600 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -15.494 -0.628 -1.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -14.598 1.164 -3.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -13.314 0.057 -3.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -14.189 0.225 -4.482 1.00 0.00 H new ATOM 1271 N TYR A 79 -11.520 -4.281 -6.695 1.00 0.00 N ATOM 1272 CA TYR A 79 -10.469 -3.570 -7.410 1.00 0.00 C ATOM 1273 C TYR A 79 -9.853 -4.443 -8.503 1.00 0.00 C ATOM 1274 O TYR A 79 -9.084 -3.959 -9.331 1.00 0.00 O ATOM 1275 CB TYR A 79 -9.398 -3.094 -6.420 1.00 0.00 C ATOM 1276 CG TYR A 79 -9.970 -2.264 -5.291 1.00 0.00 C ATOM 1277 CD1 TYR A 79 -10.211 -0.906 -5.450 1.00 0.00 C ATOM 1278 CD2 TYR A 79 -10.286 -2.845 -4.071 1.00 0.00 C ATOM 1279 CE1 TYR A 79 -10.752 -0.153 -4.428 1.00 0.00 C ATOM 1280 CE2 TYR A 79 -10.824 -2.100 -3.043 1.00 0.00 C ATOM 1281 CZ TYR A 79 -11.055 -0.756 -3.226 1.00 0.00 C ATOM 1282 OH TYR A 79 -11.605 -0.013 -2.205 1.00 0.00 O ATOM 0 H TYR A 79 -11.190 -5.037 -6.095 1.00 0.00 H new ATOM 0 HA TYR A 79 -10.909 -2.701 -7.899 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -8.884 -3.960 -6.004 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -8.651 -2.507 -6.954 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -9.971 -0.431 -6.390 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -10.107 -3.900 -3.924 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -10.937 0.902 -4.569 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -11.063 -2.569 -2.100 1.00 0.00 H new ATOM 0 HH TYR A 79 -11.759 -0.589 -1.427 1.00 0.00 H new ATOM 1292 N GLY A 80 -10.212 -5.724 -8.511 1.00 0.00 N ATOM 1293 CA GLY A 80 -9.698 -6.637 -9.519 1.00 0.00 C ATOM 1294 C GLY A 80 -8.226 -6.936 -9.330 1.00 0.00 C ATOM 1295 O GLY A 80 -7.513 -7.261 -10.282 1.00 0.00 O ATOM 0 H GLY A 80 -10.850 -6.147 -7.837 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -10.263 -7.569 -9.483 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.855 -6.207 -10.508 1.00 0.00 H new ATOM 1299 N VAL A 81 -7.768 -6.833 -8.095 1.00 0.00 N ATOM 1300 CA VAL A 81 -6.371 -7.037 -7.788 1.00 0.00 C ATOM 1301 C VAL A 81 -6.074 -8.516 -7.544 1.00 0.00 C ATOM 1302 O VAL A 81 -6.388 -9.071 -6.492 1.00 0.00 O ATOM 1303 CB VAL A 81 -5.932 -6.176 -6.586 1.00 0.00 C ATOM 1304 CG1 VAL A 81 -5.905 -4.705 -6.972 1.00 0.00 C ATOM 1305 CG2 VAL A 81 -6.847 -6.383 -5.390 1.00 0.00 C ATOM 0 H VAL A 81 -8.349 -6.608 -7.288 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.790 -6.717 -8.653 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.928 -6.491 -6.301 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.593 -4.109 -6.114 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -5.202 -4.557 -7.791 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -6.901 -4.393 -7.288 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -6.509 -5.761 -4.561 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -7.866 -6.106 -5.659 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.823 -7.431 -5.091 1.00 0.00 H new ATOM 1315 N HIS A 82 -5.486 -9.155 -8.539 1.00 0.00 N ATOM 1316 CA HIS A 82 -5.162 -10.572 -8.455 1.00 0.00 C ATOM 1317 C HIS A 82 -3.679 -10.796 -8.703 1.00 0.00 C ATOM 1318 O HIS A 82 -3.261 -11.205 -9.785 1.00 0.00 O ATOM 1319 CB HIS A 82 -6.022 -11.411 -9.419 1.00 0.00 C ATOM 1320 CG HIS A 82 -6.357 -10.734 -10.717 1.00 0.00 C ATOM 1321 ND1 HIS A 82 -7.629 -10.306 -11.026 1.00 0.00 N ATOM 1322 CD2 HIS A 82 -5.589 -10.411 -11.781 1.00 0.00 C ATOM 1323 CE1 HIS A 82 -7.627 -9.752 -12.223 1.00 0.00 C ATOM 1324 NE2 HIS A 82 -6.399 -9.800 -12.704 1.00 0.00 N ATOM 0 H HIS A 82 -5.221 -8.715 -9.420 1.00 0.00 H new ATOM 0 HA HIS A 82 -5.394 -10.908 -7.444 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -5.497 -12.341 -9.636 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -6.951 -11.679 -8.915 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -4.531 -10.600 -11.885 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -8.485 -9.330 -12.725 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -6.102 -9.442 -13.612 1.00 0.00 H new ATOM 1333 N ALA A 83 -2.893 -10.498 -7.686 1.00 0.00 N ATOM 1334 CA ALA A 83 -1.447 -10.648 -7.741 1.00 0.00 C ATOM 1335 C ALA A 83 -0.942 -11.130 -6.390 1.00 0.00 C ATOM 1336 O ALA A 83 -1.723 -11.625 -5.579 1.00 0.00 O ATOM 1337 CB ALA A 83 -0.795 -9.327 -8.118 1.00 0.00 C ATOM 0 H ALA A 83 -3.238 -10.144 -6.794 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.185 -11.383 -8.502 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.287 -9.453 -8.156 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.157 -9.008 -9.095 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.047 -8.572 -7.374 1.00 0.00 H new ATOM 1343 N TYR A 84 0.350 -11.004 -6.140 1.00 0.00 N ATOM 1344 CA TYR A 84 0.886 -11.371 -4.837 1.00 0.00 C ATOM 1345 C TYR A 84 1.282 -10.133 -4.035 1.00 0.00 C ATOM 1346 O TYR A 84 0.768 -9.933 -2.931 1.00 0.00 O ATOM 1347 CB TYR A 84 2.047 -12.347 -4.983 1.00 0.00 C ATOM 1348 CG TYR A 84 1.654 -13.584 -5.763 1.00 0.00 C ATOM 1349 CD1 TYR A 84 0.517 -14.306 -5.419 1.00 0.00 C ATOM 1350 CD2 TYR A 84 2.396 -14.013 -6.856 1.00 0.00 C ATOM 1351 CE1 TYR A 84 0.134 -15.423 -6.136 1.00 0.00 C ATOM 1352 CE2 TYR A 84 2.017 -15.130 -7.579 1.00 0.00 C ATOM 1353 CZ TYR A 84 0.886 -15.831 -7.214 1.00 0.00 C ATOM 1354 OH TYR A 84 0.505 -16.941 -7.934 1.00 0.00 O ATOM 0 H TYR A 84 1.038 -10.657 -6.808 1.00 0.00 H new ATOM 0 HA TYR A 84 0.101 -11.879 -4.277 1.00 0.00 H new ATOM 0 HB2 TYR A 84 2.877 -11.850 -5.485 1.00 0.00 H new ATOM 0 HB3 TYR A 84 2.401 -12.639 -3.995 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -0.078 -13.988 -4.576 1.00 0.00 H new ATOM 0 HD2 TYR A 84 3.282 -13.467 -7.146 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -0.751 -15.973 -5.852 1.00 0.00 H new ATOM 0 HE2 TYR A 84 2.604 -15.452 -8.426 1.00 0.00 H new ATOM 0 HH TYR A 84 1.142 -17.093 -8.663 1.00 0.00 H new ATOM 1364 N PRO A 85 2.195 -9.279 -4.552 1.00 0.00 N ATOM 1365 CA PRO A 85 2.455 -7.983 -3.969 1.00 0.00 C ATOM 1366 C PRO A 85 1.628 -6.900 -4.663 1.00 0.00 C ATOM 1367 O PRO A 85 1.913 -6.526 -5.803 1.00 0.00 O ATOM 1368 CB PRO A 85 3.955 -7.773 -4.224 1.00 0.00 C ATOM 1369 CG PRO A 85 4.342 -8.768 -5.283 1.00 0.00 C ATOM 1370 CD PRO A 85 3.087 -9.500 -5.696 1.00 0.00 C ATOM 0 HA PRO A 85 2.191 -7.929 -2.913 1.00 0.00 H new ATOM 0 HB2 PRO A 85 4.155 -6.754 -4.555 1.00 0.00 H new ATOM 0 HB3 PRO A 85 4.531 -7.931 -3.312 1.00 0.00 H new ATOM 0 HG2 PRO A 85 4.791 -8.263 -6.138 1.00 0.00 H new ATOM 0 HG3 PRO A 85 5.085 -9.467 -4.900 1.00 0.00 H new ATOM 0 HD2 PRO A 85 2.669 -9.099 -6.619 1.00 0.00 H new ATOM 0 HD3 PRO A 85 3.274 -10.560 -5.865 1.00 0.00 H new ATOM 1378 N THR A 86 0.585 -6.424 -4.005 1.00 0.00 N ATOM 1379 CA THR A 86 -0.328 -5.481 -4.630 1.00 0.00 C ATOM 1380 C THR A 86 -0.341 -4.140 -3.900 1.00 0.00 C ATOM 1381 O THR A 86 -0.615 -4.073 -2.702 1.00 0.00 O ATOM 1382 CB THR A 86 -1.752 -6.061 -4.676 1.00 0.00 C ATOM 1383 OG1 THR A 86 -1.710 -7.379 -5.242 1.00 0.00 O ATOM 1384 CG2 THR A 86 -2.669 -5.179 -5.508 1.00 0.00 C ATOM 0 H THR A 86 0.350 -6.673 -3.044 1.00 0.00 H new ATOM 0 HA THR A 86 0.026 -5.310 -5.647 1.00 0.00 H new ATOM 0 HB THR A 86 -2.144 -6.104 -3.660 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.616 -7.752 -5.271 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.670 -5.610 -5.526 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.711 -4.182 -5.070 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.285 -5.112 -6.526 1.00 0.00 H new ATOM 1392 N LEU A 87 -0.038 -3.079 -4.635 1.00 0.00 N ATOM 1393 CA LEU A 87 -0.048 -1.732 -4.085 1.00 0.00 C ATOM 1394 C LEU A 87 -1.294 -0.998 -4.558 1.00 0.00 C ATOM 1395 O LEU A 87 -1.439 -0.693 -5.744 1.00 0.00 O ATOM 1396 CB LEU A 87 1.210 -0.956 -4.498 1.00 0.00 C ATOM 1397 CG LEU A 87 2.526 -1.412 -3.848 1.00 0.00 C ATOM 1398 CD1 LEU A 87 2.971 -2.771 -4.369 1.00 0.00 C ATOM 1399 CD2 LEU A 87 3.613 -0.377 -4.087 1.00 0.00 C ATOM 0 H LEU A 87 0.219 -3.127 -5.621 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.057 -1.803 -2.997 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.318 -1.028 -5.580 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.057 0.097 -4.262 1.00 0.00 H new ATOM 0 HG LEU A 87 2.350 -1.510 -2.777 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.905 -3.058 -3.885 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.205 -3.514 -4.148 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.123 -2.716 -5.447 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.541 -0.710 -3.622 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.768 -0.253 -5.159 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.311 0.575 -3.652 1.00 0.00 H new ATOM 1411 N LEU A 88 -2.200 -0.731 -3.633 1.00 0.00 N ATOM 1412 CA LEU A 88 -3.467 -0.103 -3.968 1.00 0.00 C ATOM 1413 C LEU A 88 -3.520 1.326 -3.438 1.00 0.00 C ATOM 1414 O LEU A 88 -3.342 1.563 -2.241 1.00 0.00 O ATOM 1415 CB LEU A 88 -4.624 -0.932 -3.403 1.00 0.00 C ATOM 1416 CG LEU A 88 -6.023 -0.460 -3.798 1.00 0.00 C ATOM 1417 CD1 LEU A 88 -6.189 -0.462 -5.311 1.00 0.00 C ATOM 1418 CD2 LEU A 88 -7.073 -1.341 -3.147 1.00 0.00 C ATOM 0 H LEU A 88 -2.081 -0.940 -2.642 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.560 -0.061 -5.053 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.502 -1.965 -3.729 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.552 -0.931 -2.315 1.00 0.00 H new ATOM 0 HG LEU A 88 -6.154 0.563 -3.446 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.193 -0.122 -5.567 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -5.454 0.207 -5.759 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.039 -1.472 -5.692 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -8.066 -0.996 -3.435 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.937 -2.372 -3.475 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.971 -1.289 -2.063 1.00 0.00 H new ATOM 1430 N PHE A 89 -3.752 2.270 -4.338 1.00 0.00 N ATOM 1431 CA PHE A 89 -3.815 3.680 -3.978 1.00 0.00 C ATOM 1432 C PHE A 89 -5.265 4.154 -3.958 1.00 0.00 C ATOM 1433 O PHE A 89 -5.934 4.183 -4.995 1.00 0.00 O ATOM 1434 CB PHE A 89 -3.000 4.517 -4.966 1.00 0.00 C ATOM 1435 CG PHE A 89 -1.570 4.076 -5.089 1.00 0.00 C ATOM 1436 CD1 PHE A 89 -0.597 4.591 -4.252 1.00 0.00 C ATOM 1437 CD2 PHE A 89 -1.200 3.147 -6.048 1.00 0.00 C ATOM 1438 CE1 PHE A 89 0.720 4.189 -4.369 1.00 0.00 C ATOM 1439 CE2 PHE A 89 0.113 2.741 -6.169 1.00 0.00 C ATOM 1440 CZ PHE A 89 1.076 3.263 -5.330 1.00 0.00 C ATOM 0 H PHE A 89 -3.901 2.084 -5.330 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.391 3.805 -2.982 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.472 4.468 -5.947 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.024 5.561 -4.652 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.869 5.315 -3.499 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.949 2.736 -6.709 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.471 4.599 -3.709 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.387 2.015 -6.920 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.105 2.949 -5.424 1.00 0.00 H new ATOM 1450 N ILE A 90 -5.744 4.514 -2.775 1.00 0.00 N ATOM 1451 CA ILE A 90 -7.133 4.916 -2.589 1.00 0.00 C ATOM 1452 C ILE A 90 -7.207 6.317 -1.977 1.00 0.00 C ATOM 1453 O ILE A 90 -6.339 6.707 -1.198 1.00 0.00 O ATOM 1454 CB ILE A 90 -7.876 3.910 -1.672 1.00 0.00 C ATOM 1455 CG1 ILE A 90 -7.768 2.493 -2.239 1.00 0.00 C ATOM 1456 CG2 ILE A 90 -9.339 4.297 -1.501 1.00 0.00 C ATOM 1457 CD1 ILE A 90 -8.452 1.448 -1.386 1.00 0.00 C ATOM 0 H ILE A 90 -5.185 4.536 -1.922 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.615 4.926 -3.567 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.402 3.937 -0.691 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -8.203 2.476 -3.238 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.715 2.232 -2.345 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -9.834 3.573 -0.853 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.403 5.288 -1.053 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -9.829 4.307 -2.475 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -8.335 0.468 -1.848 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -8.002 1.437 -0.393 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -9.513 1.685 -1.301 1.00 0.00 H new ATOM 1469 N ASN A 91 -8.220 7.084 -2.360 1.00 0.00 N ATOM 1470 CA ASN A 91 -8.469 8.379 -1.735 1.00 0.00 C ATOM 1471 C ASN A 91 -9.073 8.182 -0.354 1.00 0.00 C ATOM 1472 O ASN A 91 -9.522 7.087 -0.018 1.00 0.00 O ATOM 1473 CB ASN A 91 -9.398 9.240 -2.591 1.00 0.00 C ATOM 1474 CG ASN A 91 -8.700 9.822 -3.803 1.00 0.00 C ATOM 1475 OD1 ASN A 91 -7.507 10.114 -3.761 1.00 0.00 O ATOM 1476 ND2 ASN A 91 -9.438 10.000 -4.887 1.00 0.00 N ATOM 0 H ASN A 91 -8.880 6.835 -3.097 1.00 0.00 H new ATOM 0 HA ASN A 91 -7.515 8.898 -1.644 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -10.246 8.638 -2.919 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -9.799 10.051 -1.983 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -9.019 10.393 -5.730 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -10.425 9.744 -4.879 1.00 0.00 H new ATOM 1483 N SER A 92 -9.119 9.247 0.422 1.00 0.00 N ATOM 1484 CA SER A 92 -9.515 9.156 1.819 1.00 0.00 C ATOM 1485 C SER A 92 -10.995 8.803 1.965 1.00 0.00 C ATOM 1486 O SER A 92 -11.374 8.046 2.855 1.00 0.00 O ATOM 1487 CB SER A 92 -9.197 10.471 2.532 1.00 0.00 C ATOM 1488 OG SER A 92 -9.837 11.567 1.901 1.00 0.00 O ATOM 0 H SER A 92 -8.887 10.190 0.110 1.00 0.00 H new ATOM 0 HA SER A 92 -8.946 8.350 2.283 1.00 0.00 H new ATOM 0 HB2 SER A 92 -9.517 10.410 3.572 1.00 0.00 H new ATOM 0 HB3 SER A 92 -8.119 10.632 2.539 1.00 0.00 H new ATOM 0 HG SER A 92 -10.679 11.764 2.362 1.00 0.00 H new ATOM 1494 N SER A 93 -11.827 9.328 1.072 1.00 0.00 N ATOM 1495 CA SER A 93 -13.259 9.083 1.133 1.00 0.00 C ATOM 1496 C SER A 93 -13.601 7.718 0.528 1.00 0.00 C ATOM 1497 O SER A 93 -14.734 7.240 0.634 1.00 0.00 O ATOM 1498 CB SER A 93 -14.008 10.197 0.399 1.00 0.00 C ATOM 1499 OG SER A 93 -15.392 10.176 0.699 1.00 0.00 O ATOM 0 H SER A 93 -11.533 9.925 0.299 1.00 0.00 H new ATOM 0 HA SER A 93 -13.569 9.077 2.178 1.00 0.00 H new ATOM 0 HB2 SER A 93 -13.589 11.164 0.678 1.00 0.00 H new ATOM 0 HB3 SER A 93 -13.866 10.086 -0.676 1.00 0.00 H new ATOM 0 HG SER A 93 -15.717 9.252 0.677 1.00 0.00 H new ATOM 1505 N GLY A 94 -12.608 7.087 -0.091 1.00 0.00 N ATOM 1506 CA GLY A 94 -12.816 5.786 -0.697 1.00 0.00 C ATOM 1507 C GLY A 94 -12.991 5.867 -2.200 1.00 0.00 C ATOM 1508 O GLY A 94 -14.087 5.655 -2.713 1.00 0.00 O ATOM 0 H GLY A 94 -11.661 7.455 -0.183 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -11.967 5.142 -0.468 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -13.698 5.320 -0.256 1.00 0.00 H new ATOM 1512 N GLU A 95 -11.912 6.186 -2.904 1.00 0.00 N ATOM 1513 CA GLU A 95 -11.937 6.259 -4.361 1.00 0.00 C ATOM 1514 C GLU A 95 -10.679 5.635 -4.948 1.00 0.00 C ATOM 1515 O GLU A 95 -9.594 5.762 -4.378 1.00 0.00 O ATOM 1516 CB GLU A 95 -12.054 7.707 -4.833 1.00 0.00 C ATOM 1517 CG GLU A 95 -13.417 8.323 -4.594 1.00 0.00 C ATOM 1518 CD GLU A 95 -13.501 9.742 -5.107 1.00 0.00 C ATOM 1519 OE1 GLU A 95 -13.257 9.957 -6.312 1.00 0.00 O ATOM 1520 OE2 GLU A 95 -13.814 10.645 -4.307 1.00 0.00 O ATOM 0 H GLU A 95 -11.005 6.399 -2.488 1.00 0.00 H new ATOM 0 HA GLU A 95 -12.809 5.704 -4.707 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -11.301 8.307 -4.323 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -11.828 7.751 -5.898 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -14.179 7.716 -5.083 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -13.637 8.311 -3.526 1.00 0.00 H new ATOM 1527 N VAL A 96 -10.823 4.977 -6.088 1.00 0.00 N ATOM 1528 CA VAL A 96 -9.697 4.317 -6.732 1.00 0.00 C ATOM 1529 C VAL A 96 -8.824 5.331 -7.460 1.00 0.00 C ATOM 1530 O VAL A 96 -9.259 5.957 -8.430 1.00 0.00 O ATOM 1531 CB VAL A 96 -10.161 3.237 -7.732 1.00 0.00 C ATOM 1532 CG1 VAL A 96 -8.969 2.512 -8.339 1.00 0.00 C ATOM 1533 CG2 VAL A 96 -11.098 2.250 -7.056 1.00 0.00 C ATOM 0 H VAL A 96 -11.708 4.886 -6.587 1.00 0.00 H new ATOM 0 HA VAL A 96 -9.119 3.834 -5.944 1.00 0.00 H new ATOM 0 HB VAL A 96 -10.704 3.732 -8.537 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -9.322 1.756 -9.040 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -8.337 3.228 -8.865 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -8.393 2.032 -7.547 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -11.414 1.496 -7.777 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -10.580 1.765 -6.228 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -11.972 2.779 -6.677 1.00 0.00 H new ATOM 1543 N VAL A 97 -7.601 5.500 -6.980 1.00 0.00 N ATOM 1544 CA VAL A 97 -6.664 6.422 -7.598 1.00 0.00 C ATOM 1545 C VAL A 97 -5.812 5.700 -8.629 1.00 0.00 C ATOM 1546 O VAL A 97 -5.858 6.012 -9.816 1.00 0.00 O ATOM 1547 CB VAL A 97 -5.732 7.080 -6.560 1.00 0.00 C ATOM 1548 CG1 VAL A 97 -4.866 8.149 -7.216 1.00 0.00 C ATOM 1549 CG2 VAL A 97 -6.537 7.659 -5.412 1.00 0.00 C ATOM 0 H VAL A 97 -7.235 5.010 -6.164 1.00 0.00 H new ATOM 0 HA VAL A 97 -7.257 7.201 -8.077 1.00 0.00 H new ATOM 0 HB VAL A 97 -5.071 6.314 -6.155 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -4.216 8.601 -6.467 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -4.257 7.695 -7.998 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -5.504 8.917 -7.653 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -5.862 8.119 -4.690 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -7.227 8.411 -5.794 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -7.101 6.863 -4.926 1.00 0.00 H new ATOM 1559 N TYR A 98 -5.053 4.717 -8.169 1.00 0.00 N ATOM 1560 CA TYR A 98 -4.122 4.010 -9.031 1.00 0.00 C ATOM 1561 C TYR A 98 -4.023 2.548 -8.613 1.00 0.00 C ATOM 1562 O TYR A 98 -3.990 2.231 -7.421 1.00 0.00 O ATOM 1563 CB TYR A 98 -2.746 4.685 -8.972 1.00 0.00 C ATOM 1564 CG TYR A 98 -1.758 4.191 -10.010 1.00 0.00 C ATOM 1565 CD1 TYR A 98 -1.947 4.465 -11.359 1.00 0.00 C ATOM 1566 CD2 TYR A 98 -0.630 3.467 -9.641 1.00 0.00 C ATOM 1567 CE1 TYR A 98 -1.044 4.030 -12.309 1.00 0.00 C ATOM 1568 CE2 TYR A 98 0.277 3.027 -10.588 1.00 0.00 C ATOM 1569 CZ TYR A 98 0.063 3.312 -11.921 1.00 0.00 C ATOM 1570 OH TYR A 98 0.966 2.886 -12.868 1.00 0.00 O ATOM 0 H TYR A 98 -5.065 4.392 -7.202 1.00 0.00 H new ATOM 0 HA TYR A 98 -4.486 4.047 -10.058 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -2.877 5.760 -9.096 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.321 4.528 -7.981 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -2.815 5.028 -11.670 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -0.459 3.245 -8.598 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -1.207 4.253 -13.353 1.00 0.00 H new ATOM 0 HE2 TYR A 98 1.148 2.464 -10.286 1.00 0.00 H new ATOM 0 HH TYR A 98 1.691 2.394 -12.430 1.00 0.00 H new ATOM 1580 N ARG A 99 -3.997 1.671 -9.599 1.00 0.00 N ATOM 1581 CA ARG A 99 -3.911 0.239 -9.365 1.00 0.00 C ATOM 1582 C ARG A 99 -2.546 -0.273 -9.822 1.00 0.00 C ATOM 1583 O ARG A 99 -2.228 -0.247 -11.015 1.00 0.00 O ATOM 1584 CB ARG A 99 -5.062 -0.449 -10.113 1.00 0.00 C ATOM 1585 CG ARG A 99 -4.959 -1.959 -10.227 1.00 0.00 C ATOM 1586 CD ARG A 99 -6.206 -2.517 -10.895 1.00 0.00 C ATOM 1587 NE ARG A 99 -6.036 -3.894 -11.348 1.00 0.00 N ATOM 1588 CZ ARG A 99 -6.831 -4.482 -12.242 1.00 0.00 C ATOM 1589 NH1 ARG A 99 -7.872 -3.826 -12.749 1.00 0.00 N ATOM 1590 NH2 ARG A 99 -6.580 -5.723 -12.631 1.00 0.00 N ATOM 0 H ARG A 99 -4.035 1.930 -10.585 1.00 0.00 H new ATOM 0 HA ARG A 99 -4.006 0.013 -8.303 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -5.997 -0.203 -9.610 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -5.121 -0.030 -11.117 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -4.075 -2.229 -10.805 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -4.839 -2.399 -9.237 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -7.040 -2.470 -10.195 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -6.469 -1.889 -11.746 1.00 0.00 H new ATOM 0 HE ARG A 99 -5.265 -4.437 -10.959 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -8.065 -2.869 -12.454 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -8.477 -4.280 -13.433 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -5.780 -6.226 -12.247 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -7.186 -6.176 -13.315 1.00 0.00 H new ATOM 1604 N LEU A 100 -1.738 -0.725 -8.871 1.00 0.00 N ATOM 1605 CA LEU A 100 -0.368 -1.123 -9.162 1.00 0.00 C ATOM 1606 C LEU A 100 -0.130 -2.585 -8.803 1.00 0.00 C ATOM 1607 O LEU A 100 -0.417 -3.021 -7.685 1.00 0.00 O ATOM 1608 CB LEU A 100 0.612 -0.227 -8.397 1.00 0.00 C ATOM 1609 CG LEU A 100 2.092 -0.469 -8.701 1.00 0.00 C ATOM 1610 CD1 LEU A 100 2.386 -0.193 -10.167 1.00 0.00 C ATOM 1611 CD2 LEU A 100 2.966 0.402 -7.809 1.00 0.00 C ATOM 0 H LEU A 100 -2.008 -0.825 -7.893 1.00 0.00 H new ATOM 0 HA LEU A 100 -0.202 -1.007 -10.233 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.377 0.814 -8.620 1.00 0.00 H new ATOM 0 HB3 LEU A 100 0.450 -0.368 -7.328 1.00 0.00 H new ATOM 0 HG LEU A 100 2.321 -1.515 -8.495 1.00 0.00 H new ATOM 0 HD11 LEU A 100 3.443 -0.370 -10.366 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.784 -0.855 -10.790 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.142 0.844 -10.398 1.00 0.00 H new ATOM 0 HD21 LEU A 100 4.016 0.218 -8.037 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.734 1.452 -7.987 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.774 0.160 -6.764 1.00 0.00 H new ATOM 1623 N VAL A 101 0.390 -3.334 -9.763 1.00 0.00 N ATOM 1624 CA VAL A 101 0.693 -4.740 -9.567 1.00 0.00 C ATOM 1625 C VAL A 101 2.202 -4.953 -9.516 1.00 0.00 C ATOM 1626 O VAL A 101 2.910 -4.701 -10.495 1.00 0.00 O ATOM 1627 CB VAL A 101 0.085 -5.603 -10.694 1.00 0.00 C ATOM 1628 CG1 VAL A 101 0.436 -7.072 -10.510 1.00 0.00 C ATOM 1629 CG2 VAL A 101 -1.423 -5.414 -10.751 1.00 0.00 C ATOM 0 H VAL A 101 0.612 -2.985 -10.695 1.00 0.00 H new ATOM 0 HA VAL A 101 0.252 -5.048 -8.619 1.00 0.00 H new ATOM 0 HB VAL A 101 0.513 -5.274 -11.641 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -0.005 -7.656 -11.318 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.519 -7.192 -10.526 1.00 0.00 H new ATOM 0 HG13 VAL A 101 0.046 -7.422 -9.554 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.837 -6.029 -11.550 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.863 -5.712 -9.799 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -1.651 -4.366 -10.944 1.00 0.00 H new ATOM 1639 N GLY A 102 2.688 -5.406 -8.369 1.00 0.00 N ATOM 1640 CA GLY A 102 4.106 -5.638 -8.202 1.00 0.00 C ATOM 1641 C GLY A 102 4.791 -4.494 -7.485 1.00 0.00 C ATOM 1642 O GLY A 102 4.290 -3.368 -7.474 1.00 0.00 O ATOM 0 H GLY A 102 2.121 -5.618 -7.548 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.258 -6.560 -7.641 1.00 0.00 H new ATOM 0 HA3 GLY A 102 4.567 -5.780 -9.179 1.00 0.00 H new ATOM 1646 N ALA A 103 5.934 -4.777 -6.882 1.00 0.00 N ATOM 1647 CA ALA A 103 6.689 -3.765 -6.164 1.00 0.00 C ATOM 1648 C ALA A 103 8.118 -3.715 -6.684 1.00 0.00 C ATOM 1649 O ALA A 103 8.710 -4.749 -6.995 1.00 0.00 O ATOM 1650 CB ALA A 103 6.666 -4.048 -4.673 1.00 0.00 C ATOM 0 H ALA A 103 6.360 -5.704 -6.876 1.00 0.00 H new ATOM 0 HA ALA A 103 6.227 -2.792 -6.331 1.00 0.00 H new ATOM 0 HB1 ALA A 103 7.236 -3.281 -4.148 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.636 -4.041 -4.317 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.110 -5.025 -4.481 1.00 0.00 H new ATOM 1656 N GLU A 104 8.669 -2.516 -6.782 1.00 0.00 N ATOM 1657 CA GLU A 104 9.980 -2.329 -7.381 1.00 0.00 C ATOM 1658 C GLU A 104 10.925 -1.631 -6.407 1.00 0.00 C ATOM 1659 O GLU A 104 10.544 -1.317 -5.279 1.00 0.00 O ATOM 1660 CB GLU A 104 9.840 -1.527 -8.678 1.00 0.00 C ATOM 1661 CG GLU A 104 8.825 -2.139 -9.639 1.00 0.00 C ATOM 1662 CD GLU A 104 8.595 -1.312 -10.885 1.00 0.00 C ATOM 1663 OE1 GLU A 104 7.956 -0.247 -10.787 1.00 0.00 O ATOM 1664 OE2 GLU A 104 9.017 -1.744 -11.980 1.00 0.00 O ATOM 0 H GLU A 104 8.228 -1.657 -6.454 1.00 0.00 H new ATOM 0 HA GLU A 104 10.408 -3.304 -7.614 1.00 0.00 H new ATOM 0 HB2 GLU A 104 9.540 -0.507 -8.439 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.811 -1.467 -9.170 1.00 0.00 H new ATOM 0 HG2 GLU A 104 9.166 -3.132 -9.930 1.00 0.00 H new ATOM 0 HG3 GLU A 104 7.876 -2.268 -9.118 1.00 0.00 H new ATOM 1671 N ASP A 105 12.155 -1.396 -6.852 1.00 0.00 N ATOM 1672 CA ASP A 105 13.180 -0.763 -6.019 1.00 0.00 C ATOM 1673 C ASP A 105 12.738 0.627 -5.574 1.00 0.00 C ATOM 1674 O ASP A 105 11.936 1.262 -6.246 1.00 0.00 O ATOM 1675 CB ASP A 105 14.502 -0.670 -6.783 1.00 0.00 C ATOM 1676 CG ASP A 105 15.125 -2.026 -7.050 1.00 0.00 C ATOM 1677 OD1 ASP A 105 14.515 -2.837 -7.781 1.00 0.00 O ATOM 1678 OD2 ASP A 105 16.244 -2.278 -6.557 1.00 0.00 O ATOM 0 H ASP A 105 12.471 -1.635 -7.792 1.00 0.00 H new ATOM 0 HA ASP A 105 13.323 -1.380 -5.132 1.00 0.00 H new ATOM 0 HB2 ASP A 105 14.333 -0.160 -7.732 1.00 0.00 H new ATOM 0 HB3 ASP A 105 15.203 -0.059 -6.214 1.00 0.00 H new ATOM 1683 N ALA A 106 13.296 1.101 -4.460 1.00 0.00 N ATOM 1684 CA ALA A 106 12.849 2.347 -3.825 1.00 0.00 C ATOM 1685 C ALA A 106 12.726 3.526 -4.807 1.00 0.00 C ATOM 1686 O ALA A 106 11.644 4.097 -4.927 1.00 0.00 O ATOM 1687 CB ALA A 106 13.750 2.703 -2.647 1.00 0.00 C ATOM 0 H ALA A 106 14.064 0.639 -3.974 1.00 0.00 H new ATOM 0 HA ALA A 106 11.840 2.161 -3.456 1.00 0.00 H new ATOM 0 HB1 ALA A 106 13.402 3.629 -2.190 1.00 0.00 H new ATOM 0 HB2 ALA A 106 13.719 1.901 -1.910 1.00 0.00 H new ATOM 0 HB3 ALA A 106 14.774 2.834 -2.998 1.00 0.00 H new ATOM 1693 N PRO A 107 13.796 3.909 -5.549 1.00 0.00 N ATOM 1694 CA PRO A 107 13.727 5.054 -6.471 1.00 0.00 C ATOM 1695 C PRO A 107 12.706 4.837 -7.584 1.00 0.00 C ATOM 1696 O PRO A 107 12.022 5.769 -8.014 1.00 0.00 O ATOM 1697 CB PRO A 107 15.141 5.141 -7.062 1.00 0.00 C ATOM 1698 CG PRO A 107 16.003 4.365 -6.129 1.00 0.00 C ATOM 1699 CD PRO A 107 15.128 3.278 -5.574 1.00 0.00 C ATOM 0 HA PRO A 107 13.412 5.963 -5.958 1.00 0.00 H new ATOM 0 HB2 PRO A 107 15.174 4.723 -8.068 1.00 0.00 H new ATOM 0 HB3 PRO A 107 15.474 6.176 -7.136 1.00 0.00 H new ATOM 0 HG2 PRO A 107 16.865 3.946 -6.649 1.00 0.00 H new ATOM 0 HG3 PRO A 107 16.389 5.001 -5.333 1.00 0.00 H new ATOM 0 HD2 PRO A 107 15.142 2.388 -6.203 1.00 0.00 H new ATOM 0 HD3 PRO A 107 15.448 2.970 -4.579 1.00 0.00 H new ATOM 1707 N GLU A 108 12.607 3.595 -8.032 1.00 0.00 N ATOM 1708 CA GLU A 108 11.712 3.221 -9.112 1.00 0.00 C ATOM 1709 C GLU A 108 10.264 3.206 -8.624 1.00 0.00 C ATOM 1710 O GLU A 108 9.357 3.670 -9.316 1.00 0.00 O ATOM 1711 CB GLU A 108 12.141 1.851 -9.647 1.00 0.00 C ATOM 1712 CG GLU A 108 11.347 1.353 -10.839 1.00 0.00 C ATOM 1713 CD GLU A 108 12.003 0.155 -11.497 1.00 0.00 C ATOM 1714 OE1 GLU A 108 12.227 -0.866 -10.813 1.00 0.00 O ATOM 1715 OE2 GLU A 108 12.319 0.236 -12.704 1.00 0.00 O ATOM 0 H GLU A 108 13.148 2.817 -7.654 1.00 0.00 H new ATOM 0 HA GLU A 108 11.770 3.951 -9.919 1.00 0.00 H new ATOM 0 HB2 GLU A 108 13.194 1.899 -9.925 1.00 0.00 H new ATOM 0 HB3 GLU A 108 12.057 1.121 -8.842 1.00 0.00 H new ATOM 0 HG2 GLU A 108 10.341 1.084 -10.518 1.00 0.00 H new ATOM 0 HG3 GLU A 108 11.245 2.157 -11.568 1.00 0.00 H new ATOM 1722 N LEU A 109 10.065 2.696 -7.416 1.00 0.00 N ATOM 1723 CA LEU A 109 8.745 2.641 -6.800 1.00 0.00 C ATOM 1724 C LEU A 109 8.230 4.044 -6.530 1.00 0.00 C ATOM 1725 O LEU A 109 7.093 4.372 -6.869 1.00 0.00 O ATOM 1726 CB LEU A 109 8.809 1.856 -5.490 1.00 0.00 C ATOM 1727 CG LEU A 109 7.457 1.502 -4.869 1.00 0.00 C ATOM 1728 CD1 LEU A 109 6.647 0.629 -5.815 1.00 0.00 C ATOM 1729 CD2 LEU A 109 7.654 0.805 -3.531 1.00 0.00 C ATOM 0 H LEU A 109 10.811 2.310 -6.837 1.00 0.00 H new ATOM 0 HA LEU A 109 8.063 2.139 -7.486 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.361 0.933 -5.666 1.00 0.00 H new ATOM 0 HB3 LEU A 109 9.381 2.436 -4.766 1.00 0.00 H new ATOM 0 HG LEU A 109 6.903 2.425 -4.698 1.00 0.00 H new ATOM 0 HD11 LEU A 109 5.688 0.387 -5.356 1.00 0.00 H new ATOM 0 HD12 LEU A 109 6.477 1.165 -6.749 1.00 0.00 H new ATOM 0 HD13 LEU A 109 7.194 -0.292 -6.019 1.00 0.00 H new ATOM 0 HD21 LEU A 109 6.682 0.560 -3.102 1.00 0.00 H new ATOM 0 HD22 LEU A 109 8.227 -0.110 -3.678 1.00 0.00 H new ATOM 0 HD23 LEU A 109 8.194 1.466 -2.853 1.00 0.00 H new ATOM 1741 N LEU A 110 9.077 4.861 -5.915 1.00 0.00 N ATOM 1742 CA LEU A 110 8.747 6.262 -5.645 1.00 0.00 C ATOM 1743 C LEU A 110 8.299 6.964 -6.920 1.00 0.00 C ATOM 1744 O LEU A 110 7.351 7.754 -6.911 1.00 0.00 O ATOM 1745 CB LEU A 110 9.955 7.000 -5.055 1.00 0.00 C ATOM 1746 CG LEU A 110 10.396 6.541 -3.664 1.00 0.00 C ATOM 1747 CD1 LEU A 110 11.680 7.244 -3.251 1.00 0.00 C ATOM 1748 CD2 LEU A 110 9.302 6.804 -2.647 1.00 0.00 C ATOM 0 H LEU A 110 10.002 4.579 -5.591 1.00 0.00 H new ATOM 0 HA LEU A 110 7.931 6.278 -4.922 1.00 0.00 H new ATOM 0 HB2 LEU A 110 10.796 6.887 -5.739 1.00 0.00 H new ATOM 0 HB3 LEU A 110 9.721 8.064 -5.010 1.00 0.00 H new ATOM 0 HG LEU A 110 10.586 5.468 -3.702 1.00 0.00 H new ATOM 0 HD11 LEU A 110 11.978 6.905 -2.259 1.00 0.00 H new ATOM 0 HD12 LEU A 110 12.469 7.011 -3.966 1.00 0.00 H new ATOM 0 HD13 LEU A 110 11.515 8.321 -3.231 1.00 0.00 H new ATOM 0 HD21 LEU A 110 9.632 6.471 -1.663 1.00 0.00 H new ATOM 0 HD22 LEU A 110 9.084 7.871 -2.615 1.00 0.00 H new ATOM 0 HD23 LEU A 110 8.402 6.258 -2.931 1.00 0.00 H new ATOM 1760 N LYS A 111 8.983 6.656 -8.016 1.00 0.00 N ATOM 1761 CA LYS A 111 8.671 7.241 -9.310 1.00 0.00 C ATOM 1762 C LYS A 111 7.296 6.778 -9.789 1.00 0.00 C ATOM 1763 O LYS A 111 6.511 7.571 -10.303 1.00 0.00 O ATOM 1764 CB LYS A 111 9.747 6.856 -10.326 1.00 0.00 C ATOM 1765 CG LYS A 111 9.688 7.650 -11.618 1.00 0.00 C ATOM 1766 CD LYS A 111 10.791 7.228 -12.570 1.00 0.00 C ATOM 1767 CE LYS A 111 10.847 8.127 -13.795 1.00 0.00 C ATOM 1768 NZ LYS A 111 11.907 7.700 -14.744 1.00 0.00 N ATOM 0 H LYS A 111 9.763 5.999 -8.031 1.00 0.00 H new ATOM 0 HA LYS A 111 8.650 8.326 -9.210 1.00 0.00 H new ATOM 0 HB2 LYS A 111 10.728 6.994 -9.871 1.00 0.00 H new ATOM 0 HB3 LYS A 111 9.650 5.796 -10.558 1.00 0.00 H new ATOM 0 HG2 LYS A 111 8.718 7.505 -12.093 1.00 0.00 H new ATOM 0 HG3 LYS A 111 9.780 8.714 -11.399 1.00 0.00 H new ATOM 0 HD2 LYS A 111 11.750 7.257 -12.053 1.00 0.00 H new ATOM 0 HD3 LYS A 111 10.628 6.196 -12.882 1.00 0.00 H new ATOM 0 HE2 LYS A 111 9.881 8.115 -14.300 1.00 0.00 H new ATOM 0 HE3 LYS A 111 11.031 9.155 -13.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 11.914 8.337 -15.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 12.832 7.736 -14.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 11.718 6.728 -15.061 1.00 0.00 H new ATOM 1782 N LYS A 112 7.009 5.493 -9.599 1.00 0.00 N ATOM 1783 CA LYS A 112 5.727 4.920 -10.004 1.00 0.00 C ATOM 1784 C LYS A 112 4.576 5.512 -9.193 1.00 0.00 C ATOM 1785 O LYS A 112 3.493 5.760 -9.725 1.00 0.00 O ATOM 1786 CB LYS A 112 5.750 3.396 -9.846 1.00 0.00 C ATOM 1787 CG LYS A 112 6.716 2.709 -10.797 1.00 0.00 C ATOM 1788 CD LYS A 112 6.360 2.986 -12.250 1.00 0.00 C ATOM 1789 CE LYS A 112 7.399 2.412 -13.198 1.00 0.00 C ATOM 1790 NZ LYS A 112 7.507 0.933 -13.079 1.00 0.00 N ATOM 0 H LYS A 112 7.648 4.827 -9.166 1.00 0.00 H new ATOM 0 HA LYS A 112 5.567 5.168 -11.053 1.00 0.00 H new ATOM 0 HB2 LYS A 112 6.022 3.148 -8.820 1.00 0.00 H new ATOM 0 HB3 LYS A 112 4.746 3.005 -10.013 1.00 0.00 H new ATOM 0 HG2 LYS A 112 7.731 3.053 -10.598 1.00 0.00 H new ATOM 0 HG3 LYS A 112 6.703 1.634 -10.617 1.00 0.00 H new ATOM 0 HD2 LYS A 112 5.384 2.556 -12.475 1.00 0.00 H new ATOM 0 HD3 LYS A 112 6.278 4.062 -12.407 1.00 0.00 H new ATOM 0 HE2 LYS A 112 7.139 2.675 -14.223 1.00 0.00 H new ATOM 0 HE3 LYS A 112 8.369 2.864 -12.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 8.097 0.565 -13.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 7.941 0.689 -12.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 6.559 0.510 -13.135 1.00 0.00 H new ATOM 1804 N VAL A 113 4.819 5.743 -7.910 1.00 0.00 N ATOM 1805 CA VAL A 113 3.811 6.329 -7.033 1.00 0.00 C ATOM 1806 C VAL A 113 3.460 7.744 -7.487 1.00 0.00 C ATOM 1807 O VAL A 113 2.290 8.065 -7.698 1.00 0.00 O ATOM 1808 CB VAL A 113 4.285 6.363 -5.563 1.00 0.00 C ATOM 1809 CG1 VAL A 113 3.251 7.041 -4.673 1.00 0.00 C ATOM 1810 CG2 VAL A 113 4.577 4.957 -5.062 1.00 0.00 C ATOM 0 H VAL A 113 5.706 5.534 -7.452 1.00 0.00 H new ATOM 0 HA VAL A 113 2.925 5.698 -7.094 1.00 0.00 H new ATOM 0 HB VAL A 113 5.206 6.945 -5.519 1.00 0.00 H new ATOM 0 HG11 VAL A 113 3.608 7.052 -3.643 1.00 0.00 H new ATOM 0 HG12 VAL A 113 3.093 8.064 -5.013 1.00 0.00 H new ATOM 0 HG13 VAL A 113 2.311 6.492 -4.725 1.00 0.00 H new ATOM 0 HG21 VAL A 113 4.909 5.002 -4.025 1.00 0.00 H new ATOM 0 HG22 VAL A 113 3.672 4.352 -5.127 1.00 0.00 H new ATOM 0 HG23 VAL A 113 5.359 4.508 -5.674 1.00 0.00 H new ATOM 1820 N LYS A 114 4.477 8.581 -7.659 1.00 0.00 N ATOM 1821 CA LYS A 114 4.262 9.966 -8.066 1.00 0.00 C ATOM 1822 C LYS A 114 3.632 10.041 -9.450 1.00 0.00 C ATOM 1823 O LYS A 114 2.743 10.854 -9.693 1.00 0.00 O ATOM 1824 CB LYS A 114 5.574 10.743 -8.046 1.00 0.00 C ATOM 1825 CG LYS A 114 6.110 10.958 -6.644 1.00 0.00 C ATOM 1826 CD LYS A 114 7.404 11.730 -6.655 1.00 0.00 C ATOM 1827 CE LYS A 114 7.216 13.148 -7.148 1.00 0.00 C ATOM 1828 NZ LYS A 114 6.263 13.923 -6.305 1.00 0.00 N ATOM 0 H LYS A 114 5.455 8.327 -7.524 1.00 0.00 H new ATOM 0 HA LYS A 114 3.574 10.418 -7.351 1.00 0.00 H new ATOM 0 HB2 LYS A 114 6.317 10.206 -8.636 1.00 0.00 H new ATOM 0 HB3 LYS A 114 5.425 11.711 -8.525 1.00 0.00 H new ATOM 0 HG2 LYS A 114 5.371 11.495 -6.050 1.00 0.00 H new ATOM 0 HG3 LYS A 114 6.266 9.993 -6.162 1.00 0.00 H new ATOM 0 HD2 LYS A 114 7.823 11.749 -5.649 1.00 0.00 H new ATOM 0 HD3 LYS A 114 8.126 11.218 -7.291 1.00 0.00 H new ATOM 0 HE2 LYS A 114 8.180 13.656 -7.161 1.00 0.00 H new ATOM 0 HE3 LYS A 114 6.853 13.127 -8.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 6.415 14.941 -6.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 5.287 13.676 -6.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 6.420 13.694 -5.303 1.00 0.00 H new ATOM 1842 N LEU A 115 4.086 9.177 -10.347 1.00 0.00 N ATOM 1843 CA LEU A 115 3.591 9.159 -11.718 1.00 0.00 C ATOM 1844 C LEU A 115 2.128 8.726 -11.776 1.00 0.00 C ATOM 1845 O LEU A 115 1.333 9.285 -12.534 1.00 0.00 O ATOM 1846 CB LEU A 115 4.446 8.216 -12.568 1.00 0.00 C ATOM 1847 CG LEU A 115 4.044 8.110 -14.040 1.00 0.00 C ATOM 1848 CD1 LEU A 115 4.212 9.447 -14.738 1.00 0.00 C ATOM 1849 CD2 LEU A 115 4.861 7.036 -14.736 1.00 0.00 C ATOM 0 H LEU A 115 4.800 8.476 -10.149 1.00 0.00 H new ATOM 0 HA LEU A 115 3.660 10.172 -12.114 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.483 8.547 -12.516 1.00 0.00 H new ATOM 0 HB3 LEU A 115 4.407 7.220 -12.126 1.00 0.00 H new ATOM 0 HG LEU A 115 2.992 7.830 -14.091 1.00 0.00 H new ATOM 0 HD11 LEU A 115 3.921 9.350 -15.784 1.00 0.00 H new ATOM 0 HD12 LEU A 115 3.582 10.192 -14.253 1.00 0.00 H new ATOM 0 HD13 LEU A 115 5.254 9.760 -14.679 1.00 0.00 H new ATOM 0 HD21 LEU A 115 4.563 6.973 -15.783 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.920 7.287 -14.675 1.00 0.00 H new ATOM 0 HD23 LEU A 115 4.688 6.075 -14.251 1.00 0.00 H new ATOM 1861 N GLY A 116 1.779 7.729 -10.976 1.00 0.00 N ATOM 1862 CA GLY A 116 0.438 7.186 -11.021 1.00 0.00 C ATOM 1863 C GLY A 116 -0.568 8.005 -10.235 1.00 0.00 C ATOM 1864 O GLY A 116 -1.672 8.271 -10.715 1.00 0.00 O ATOM 0 H GLY A 116 2.400 7.287 -10.298 1.00 0.00 H new ATOM 0 HA2 GLY A 116 0.113 7.124 -12.060 1.00 0.00 H new ATOM 0 HA3 GLY A 116 0.452 6.169 -10.630 1.00 0.00 H new ATOM 1868 N VAL A 117 -0.189 8.411 -9.032 1.00 0.00 N ATOM 1869 CA VAL A 117 -1.114 9.091 -8.135 1.00 0.00 C ATOM 1870 C VAL A 117 -1.243 10.576 -8.467 1.00 0.00 C ATOM 1871 O VAL A 117 -2.354 11.100 -8.576 1.00 0.00 O ATOM 1872 CB VAL A 117 -0.682 8.934 -6.664 1.00 0.00 C ATOM 1873 CG1 VAL A 117 -1.661 9.627 -5.732 1.00 0.00 C ATOM 1874 CG2 VAL A 117 -0.552 7.463 -6.301 1.00 0.00 C ATOM 0 H VAL A 117 0.750 8.282 -8.655 1.00 0.00 H new ATOM 0 HA VAL A 117 -2.086 8.619 -8.277 1.00 0.00 H new ATOM 0 HB VAL A 117 0.292 9.409 -6.545 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -1.333 9.501 -4.700 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -1.702 10.689 -5.972 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -2.652 9.189 -5.854 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -0.246 7.371 -5.259 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -1.512 6.967 -6.443 1.00 0.00 H new ATOM 0 HG23 VAL A 117 0.196 6.995 -6.941 1.00 0.00 H new ATOM 1884 N GLU A 118 -0.115 11.252 -8.637 1.00 0.00 N ATOM 1885 CA GLU A 118 -0.128 12.690 -8.854 1.00 0.00 C ATOM 1886 C GLU A 118 -0.415 13.031 -10.311 1.00 0.00 C ATOM 1887 O GLU A 118 0.498 13.178 -11.125 1.00 0.00 O ATOM 1888 CB GLU A 118 1.189 13.328 -8.408 1.00 0.00 C ATOM 1889 CG GLU A 118 1.419 13.257 -6.909 1.00 0.00 C ATOM 1890 CD GLU A 118 2.639 14.040 -6.473 1.00 0.00 C ATOM 1891 OE1 GLU A 118 2.560 15.284 -6.400 1.00 0.00 O ATOM 1892 OE2 GLU A 118 3.679 13.417 -6.181 1.00 0.00 O ATOM 0 H GLU A 118 0.814 10.831 -8.629 1.00 0.00 H new ATOM 0 HA GLU A 118 -0.933 13.101 -8.245 1.00 0.00 H new ATOM 0 HB2 GLU A 118 2.015 12.832 -8.918 1.00 0.00 H new ATOM 0 HB3 GLU A 118 1.202 14.372 -8.721 1.00 0.00 H new ATOM 0 HG2 GLU A 118 0.540 13.641 -6.391 1.00 0.00 H new ATOM 0 HG3 GLU A 118 1.534 12.215 -6.611 1.00 0.00 H new