USER MOD reduce.3.24.130724 H: found=0, std=0, add=924, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 922 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 62 THR OG1 : rot 28:sc= 0.214 USER MOD Set 1.2: A 64 GLN : amide:sc= 0 X(o=0.21,f=-0.083) USER MOD Single : A 1 GLY N :NH3+ 135:sc= 0.0381 (180deg=0) USER MOD Single : A 2 SER OG : rot 30:sc= 0.0381 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 7:sc= 0.338 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0.0192 USER MOD Single : A 24 CYS SG : rot 180:sc= -1.92 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot -130:sc= 1.21 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 180:sc= -0.613 USER MOD Single : A 45 ASN : amide:sc= -1.7 K(o=-1.7,f=-2.9!) USER MOD Single : A 51 SER OG : rot 155:sc= 0.159 USER MOD Single : A 59 SER OG : rot 24:sc= 0.131 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl -179:sc= 0 (180deg=-0.00366) USER MOD Single : A 66 HIS : no HD1:sc= -0.116 X(o=-0.12,f=-0.1) USER MOD Single : A 67 ASN : amide:sc= -0.171 K(o=-0.17,f=-2.2!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HE2:sc= -0.575 K(o=-0.57,f=-2.7!) USER MOD Single : A 74 HIS : no HD1:sc= -1.24! C(o=-1.2!,f=-0.87!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0151) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 CYS SG : rot -53:sc= -2.36 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -142:sc= 0.015 USER MOD Single : A 102 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= -0.369 X(o=-0.37,f=-0.038) USER MOD Single : A 108 THR OG1 : rot 140:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ -123:sc= -1.26 (180deg=-3.55!) USER MOD Single : A 110 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0744) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.592 -35.892 -21.356 1.00 0.00 N ATOM 2 CA GLY A 1 5.801 -35.090 -21.353 1.00 0.00 C ATOM 3 C GLY A 1 5.648 -33.815 -20.547 1.00 0.00 C ATOM 4 O GLY A 1 4.556 -33.253 -20.463 1.00 0.00 O ATOM 0 H1 GLY A 1 4.398 -36.224 -22.322 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.717 -36.711 -20.727 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.793 -35.317 -21.021 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.623 -35.678 -20.944 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.069 -34.838 -22.379 1.00 0.00 H new ATOM 8 N SER A 2 6.745 -33.358 -19.952 1.00 0.00 N ATOM 9 CA SER A 2 6.727 -32.144 -19.144 1.00 0.00 C ATOM 10 C SER A 2 8.100 -31.477 -19.135 1.00 0.00 C ATOM 11 O SER A 2 9.122 -32.139 -18.954 1.00 0.00 O ATOM 12 CB SER A 2 6.292 -32.464 -17.714 1.00 0.00 C ATOM 13 OG SER A 2 7.218 -33.331 -17.081 1.00 0.00 O ATOM 0 H SER A 2 7.657 -33.810 -20.014 1.00 0.00 H new ATOM 0 HA SER A 2 6.010 -31.453 -19.587 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.204 -31.540 -17.142 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.305 -32.927 -17.726 1.00 0.00 H new ATOM 0 HG SER A 2 8.115 -33.171 -17.441 1.00 0.00 H new ATOM 19 N SER A 3 8.114 -30.163 -19.330 1.00 0.00 N ATOM 20 CA SER A 3 9.361 -29.406 -19.346 1.00 0.00 C ATOM 21 C SER A 3 10.101 -29.549 -18.020 1.00 0.00 C ATOM 22 O SER A 3 9.486 -29.608 -16.956 1.00 0.00 O ATOM 23 CB SER A 3 9.081 -27.929 -19.631 1.00 0.00 C ATOM 24 OG SER A 3 8.556 -27.279 -18.486 1.00 0.00 O ATOM 0 H SER A 3 7.277 -29.600 -19.479 1.00 0.00 H new ATOM 0 HA SER A 3 9.992 -29.809 -20.138 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.001 -27.435 -19.944 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.376 -27.842 -20.458 1.00 0.00 H new ATOM 0 HG SER A 3 8.387 -26.336 -18.694 1.00 0.00 H new ATOM 30 N GLY A 4 11.427 -29.604 -18.094 1.00 0.00 N ATOM 31 CA GLY A 4 12.232 -29.740 -16.893 1.00 0.00 C ATOM 32 C GLY A 4 12.812 -28.419 -16.432 1.00 0.00 C ATOM 33 O GLY A 4 13.982 -28.343 -16.059 1.00 0.00 O ATOM 0 H GLY A 4 11.959 -29.557 -18.963 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.621 -30.163 -16.096 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.043 -30.444 -17.081 1.00 0.00 H new ATOM 37 N SER A 5 11.992 -27.372 -16.458 1.00 0.00 N ATOM 38 CA SER A 5 12.433 -26.045 -16.044 1.00 0.00 C ATOM 39 C SER A 5 11.254 -25.211 -15.551 1.00 0.00 C ATOM 40 O SER A 5 10.144 -25.315 -16.073 1.00 0.00 O ATOM 41 CB SER A 5 13.127 -25.331 -17.205 1.00 0.00 C ATOM 42 OG SER A 5 14.385 -25.920 -17.487 1.00 0.00 O ATOM 0 H SER A 5 11.019 -27.418 -16.761 1.00 0.00 H new ATOM 0 HA SER A 5 13.141 -26.163 -15.224 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.495 -25.373 -18.092 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.262 -24.278 -16.960 1.00 0.00 H new ATOM 0 HG SER A 5 14.496 -26.730 -16.946 1.00 0.00 H new ATOM 48 N SER A 6 11.505 -24.383 -14.541 1.00 0.00 N ATOM 49 CA SER A 6 10.464 -23.534 -13.973 1.00 0.00 C ATOM 50 C SER A 6 10.305 -22.253 -14.787 1.00 0.00 C ATOM 51 O SER A 6 10.980 -21.256 -14.534 1.00 0.00 O ATOM 52 CB SER A 6 10.794 -23.190 -12.519 1.00 0.00 C ATOM 53 OG SER A 6 9.614 -22.943 -11.774 1.00 0.00 O ATOM 0 H SER A 6 12.419 -24.282 -14.100 1.00 0.00 H new ATOM 0 HA SER A 6 9.523 -24.084 -14.004 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.350 -24.010 -12.065 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.439 -22.312 -12.487 1.00 0.00 H new ATOM 0 HG SER A 6 9.851 -22.727 -10.848 1.00 0.00 H new ATOM 59 N GLY A 7 9.406 -22.289 -15.766 1.00 0.00 N ATOM 60 CA GLY A 7 9.174 -21.127 -16.603 1.00 0.00 C ATOM 61 C GLY A 7 10.459 -20.413 -16.974 1.00 0.00 C ATOM 62 O GLY A 7 10.782 -19.370 -16.407 1.00 0.00 O ATOM 0 H GLY A 7 8.834 -23.102 -15.994 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.658 -21.435 -17.512 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.514 -20.433 -16.082 1.00 0.00 H new ATOM 66 N GLU A 8 11.193 -20.977 -17.928 1.00 0.00 N ATOM 67 CA GLU A 8 12.451 -20.388 -18.371 1.00 0.00 C ATOM 68 C GLU A 8 12.243 -18.954 -18.847 1.00 0.00 C ATOM 69 O GLU A 8 13.201 -18.207 -19.042 1.00 0.00 O ATOM 70 CB GLU A 8 13.064 -21.227 -19.495 1.00 0.00 C ATOM 71 CG GLU A 8 14.561 -21.022 -19.662 1.00 0.00 C ATOM 72 CD GLU A 8 15.329 -21.267 -18.378 1.00 0.00 C ATOM 73 OE1 GLU A 8 15.641 -22.441 -18.088 1.00 0.00 O ATOM 74 OE2 GLU A 8 15.618 -20.285 -17.662 1.00 0.00 O ATOM 0 H GLU A 8 10.938 -21.840 -18.408 1.00 0.00 H new ATOM 0 HA GLU A 8 13.135 -20.374 -17.523 1.00 0.00 H new ATOM 0 HB2 GLU A 8 12.870 -22.281 -19.297 1.00 0.00 H new ATOM 0 HB3 GLU A 8 12.566 -20.982 -20.433 1.00 0.00 H new ATOM 0 HG2 GLU A 8 14.932 -21.693 -20.437 1.00 0.00 H new ATOM 0 HG3 GLU A 8 14.749 -20.005 -20.005 1.00 0.00 H new ATOM 81 N VAL A 9 10.982 -18.576 -19.034 1.00 0.00 N ATOM 82 CA VAL A 9 10.646 -17.231 -19.487 1.00 0.00 C ATOM 83 C VAL A 9 9.365 -16.734 -18.827 1.00 0.00 C ATOM 84 O VAL A 9 8.295 -17.316 -19.004 1.00 0.00 O ATOM 85 CB VAL A 9 10.475 -17.181 -21.017 1.00 0.00 C ATOM 86 CG1 VAL A 9 11.814 -17.377 -21.712 1.00 0.00 C ATOM 87 CG2 VAL A 9 9.469 -18.227 -21.476 1.00 0.00 C ATOM 0 H VAL A 9 10.176 -19.182 -18.879 1.00 0.00 H new ATOM 0 HA VAL A 9 11.474 -16.583 -19.200 1.00 0.00 H new ATOM 0 HB VAL A 9 10.092 -16.197 -21.289 1.00 0.00 H new ATOM 0 HG11 VAL A 9 11.672 -17.339 -22.792 1.00 0.00 H new ATOM 0 HG12 VAL A 9 12.501 -16.587 -21.408 1.00 0.00 H new ATOM 0 HG13 VAL A 9 12.229 -18.346 -21.435 1.00 0.00 H new ATOM 0 HG21 VAL A 9 9.361 -18.177 -22.559 1.00 0.00 H new ATOM 0 HG22 VAL A 9 9.820 -19.219 -21.192 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.504 -18.035 -21.006 1.00 0.00 H new ATOM 97 N LEU A 10 9.481 -15.651 -18.065 1.00 0.00 N ATOM 98 CA LEU A 10 8.333 -15.072 -17.377 1.00 0.00 C ATOM 99 C LEU A 10 8.272 -13.563 -17.594 1.00 0.00 C ATOM 100 O LEU A 10 8.175 -12.794 -16.639 1.00 0.00 O ATOM 101 CB LEU A 10 8.399 -15.383 -15.882 1.00 0.00 C ATOM 102 CG LEU A 10 7.056 -15.506 -15.161 1.00 0.00 C ATOM 103 CD1 LEU A 10 6.240 -14.234 -15.333 1.00 0.00 C ATOM 104 CD2 LEU A 10 6.283 -16.711 -15.677 1.00 0.00 C ATOM 0 H LEU A 10 10.359 -15.156 -17.908 1.00 0.00 H new ATOM 0 HA LEU A 10 7.429 -15.516 -17.793 1.00 0.00 H new ATOM 0 HB2 LEU A 10 8.946 -16.316 -15.749 1.00 0.00 H new ATOM 0 HB3 LEU A 10 8.980 -14.601 -15.394 1.00 0.00 H new ATOM 0 HG LEU A 10 7.247 -15.650 -14.098 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.288 -14.340 -14.813 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.789 -13.390 -14.916 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.057 -14.059 -16.393 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.330 -16.783 -15.153 1.00 0.00 H new ATOM 0 HD22 LEU A 10 6.102 -16.597 -16.746 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.863 -17.617 -15.502 1.00 0.00 H new ATOM 116 N ALA A 11 8.329 -13.148 -18.855 1.00 0.00 N ATOM 117 CA ALA A 11 8.276 -11.733 -19.196 1.00 0.00 C ATOM 118 C ALA A 11 7.250 -11.470 -20.294 1.00 0.00 C ATOM 119 O ALA A 11 7.032 -10.326 -20.693 1.00 0.00 O ATOM 120 CB ALA A 11 9.650 -11.241 -19.628 1.00 0.00 C ATOM 0 H ALA A 11 8.412 -13.772 -19.657 1.00 0.00 H new ATOM 0 HA ALA A 11 7.968 -11.183 -18.307 1.00 0.00 H new ATOM 0 HB1 ALA A 11 9.595 -10.182 -19.880 1.00 0.00 H new ATOM 0 HB2 ALA A 11 10.360 -11.384 -18.814 1.00 0.00 H new ATOM 0 HB3 ALA A 11 9.980 -11.805 -20.501 1.00 0.00 H new ATOM 126 N LYS A 12 6.622 -12.537 -20.778 1.00 0.00 N ATOM 127 CA LYS A 12 5.618 -12.423 -21.829 1.00 0.00 C ATOM 128 C LYS A 12 4.293 -13.033 -21.384 1.00 0.00 C ATOM 129 O LYS A 12 3.560 -13.602 -22.192 1.00 0.00 O ATOM 130 CB LYS A 12 6.107 -13.111 -23.106 1.00 0.00 C ATOM 131 CG LYS A 12 6.513 -14.560 -22.897 1.00 0.00 C ATOM 132 CD LYS A 12 5.340 -15.503 -23.104 1.00 0.00 C ATOM 133 CE LYS A 12 5.810 -16.921 -23.390 1.00 0.00 C ATOM 134 NZ LYS A 12 4.682 -17.811 -23.782 1.00 0.00 N ATOM 0 H LYS A 12 6.791 -13.491 -20.459 1.00 0.00 H new ATOM 0 HA LYS A 12 5.459 -11.364 -22.033 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.318 -13.068 -23.857 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.957 -12.558 -23.504 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.315 -14.818 -23.589 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.909 -14.686 -21.889 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.708 -15.500 -22.216 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.727 -15.147 -23.932 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.553 -16.903 -24.188 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.302 -17.326 -22.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.044 -18.768 -23.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 3.985 -17.848 -23.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 4.229 -17.439 -24.641 1.00 0.00 H new ATOM 148 N GLU A 13 3.992 -12.908 -20.095 1.00 0.00 N ATOM 149 CA GLU A 13 2.754 -13.447 -19.544 1.00 0.00 C ATOM 150 C GLU A 13 1.672 -12.373 -19.483 1.00 0.00 C ATOM 151 O GLU A 13 1.964 -11.180 -19.561 1.00 0.00 O ATOM 152 CB GLU A 13 2.999 -14.022 -18.147 1.00 0.00 C ATOM 153 CG GLU A 13 3.960 -15.198 -18.132 1.00 0.00 C ATOM 154 CD GLU A 13 3.256 -16.530 -18.300 1.00 0.00 C ATOM 155 OE1 GLU A 13 2.902 -16.873 -19.447 1.00 0.00 O ATOM 156 OE2 GLU A 13 3.056 -17.228 -17.283 1.00 0.00 O ATOM 0 H GLU A 13 4.588 -12.439 -19.413 1.00 0.00 H new ATOM 0 HA GLU A 13 2.411 -14.245 -20.202 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.392 -13.235 -17.503 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.046 -14.337 -17.721 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.691 -15.075 -18.931 1.00 0.00 H new ATOM 0 HG3 GLU A 13 4.512 -15.199 -17.192 1.00 0.00 H new ATOM 163 N GLU A 14 0.424 -12.805 -19.342 1.00 0.00 N ATOM 164 CA GLU A 14 -0.702 -11.881 -19.271 1.00 0.00 C ATOM 165 C GLU A 14 -0.892 -11.364 -17.847 1.00 0.00 C ATOM 166 O GLU A 14 -1.442 -10.283 -17.637 1.00 0.00 O ATOM 167 CB GLU A 14 -1.983 -12.564 -19.753 1.00 0.00 C ATOM 168 CG GLU A 14 -1.837 -13.250 -21.100 1.00 0.00 C ATOM 169 CD GLU A 14 -3.163 -13.731 -21.657 1.00 0.00 C ATOM 170 OE1 GLU A 14 -4.014 -12.877 -21.985 1.00 0.00 O ATOM 171 OE2 GLU A 14 -3.350 -14.960 -21.766 1.00 0.00 O ATOM 0 H GLU A 14 0.166 -13.790 -19.275 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.485 -11.033 -19.921 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.293 -13.300 -19.012 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.778 -11.822 -19.817 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.379 -12.559 -21.808 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.160 -14.098 -21.000 1.00 0.00 H new ATOM 178 N ALA A 15 -0.433 -12.144 -16.874 1.00 0.00 N ATOM 179 CA ALA A 15 -0.551 -11.766 -15.472 1.00 0.00 C ATOM 180 C ALA A 15 -1.886 -11.081 -15.199 1.00 0.00 C ATOM 181 O ALA A 15 -2.005 -10.282 -14.269 1.00 0.00 O ATOM 182 CB ALA A 15 0.602 -10.857 -15.071 1.00 0.00 C ATOM 0 H ALA A 15 0.024 -13.042 -17.032 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.509 -12.675 -14.872 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.501 -10.583 -14.021 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.547 -11.380 -15.220 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.586 -9.956 -15.685 1.00 0.00 H new ATOM 188 N ARG A 16 -2.886 -11.398 -16.014 1.00 0.00 N ATOM 189 CA ARG A 16 -4.211 -10.812 -15.860 1.00 0.00 C ATOM 190 C ARG A 16 -4.788 -11.124 -14.482 1.00 0.00 C ATOM 191 O ARG A 16 -5.766 -10.510 -14.054 1.00 0.00 O ATOM 192 CB ARG A 16 -5.152 -11.334 -16.947 1.00 0.00 C ATOM 193 CG ARG A 16 -5.655 -12.746 -16.693 1.00 0.00 C ATOM 194 CD ARG A 16 -4.747 -13.783 -17.334 1.00 0.00 C ATOM 195 NE ARG A 16 -5.152 -15.146 -16.998 1.00 0.00 N ATOM 196 CZ ARG A 16 -4.329 -16.189 -17.039 1.00 0.00 C ATOM 197 NH1 ARG A 16 -3.062 -16.023 -17.397 1.00 0.00 N ATOM 198 NH2 ARG A 16 -4.771 -17.397 -16.719 1.00 0.00 N ATOM 0 H ARG A 16 -2.804 -12.057 -16.788 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.115 -9.731 -15.959 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.007 -10.662 -17.029 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.634 -11.309 -17.906 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -5.713 -12.925 -15.619 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -6.665 -12.851 -17.089 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.760 -13.657 -18.417 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.720 -13.618 -17.006 1.00 0.00 H new ATOM 0 HE ARG A 16 -6.119 -15.306 -16.717 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.719 -15.094 -17.641 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.432 -16.824 -17.428 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.744 -17.527 -16.441 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.138 -18.197 -16.751 1.00 0.00 H new ATOM 212 N ARG A 17 -4.175 -12.081 -13.793 1.00 0.00 N ATOM 213 CA ARG A 17 -4.629 -12.475 -12.464 1.00 0.00 C ATOM 214 C ARG A 17 -3.752 -11.849 -11.383 1.00 0.00 C ATOM 215 O ARG A 17 -2.786 -12.458 -10.925 1.00 0.00 O ATOM 216 CB ARG A 17 -4.615 -13.999 -12.328 1.00 0.00 C ATOM 217 CG ARG A 17 -5.465 -14.515 -11.178 1.00 0.00 C ATOM 218 CD ARG A 17 -6.932 -14.601 -11.565 1.00 0.00 C ATOM 219 NE ARG A 17 -7.219 -15.788 -12.365 1.00 0.00 N ATOM 220 CZ ARG A 17 -8.424 -16.341 -12.456 1.00 0.00 C ATOM 221 NH1 ARG A 17 -9.448 -15.816 -11.799 1.00 0.00 N ATOM 222 NH2 ARG A 17 -8.605 -17.420 -13.205 1.00 0.00 N ATOM 0 H ARG A 17 -3.364 -12.598 -14.132 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.650 -12.115 -12.334 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -4.970 -14.442 -13.259 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.587 -14.334 -12.188 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -5.109 -15.500 -10.874 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -5.353 -13.856 -10.317 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -7.544 -14.615 -10.663 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -7.212 -13.709 -12.126 1.00 0.00 H new ATOM 0 HE ARG A 17 -6.452 -16.217 -12.883 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -9.312 -14.986 -11.222 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -10.372 -16.242 -11.870 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -7.819 -17.827 -13.712 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -9.530 -17.844 -13.274 1.00 0.00 H new ATOM 236 N ALA A 18 -4.097 -10.630 -10.981 1.00 0.00 N ATOM 237 CA ALA A 18 -3.341 -9.923 -9.954 1.00 0.00 C ATOM 238 C ALA A 18 -4.268 -9.372 -8.874 1.00 0.00 C ATOM 239 O ALA A 18 -4.200 -8.192 -8.527 1.00 0.00 O ATOM 240 CB ALA A 18 -2.527 -8.800 -10.577 1.00 0.00 C ATOM 0 H ALA A 18 -4.894 -10.112 -11.350 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.659 -10.633 -9.485 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.968 -8.281 -9.799 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.832 -9.216 -11.307 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.197 -8.097 -11.073 1.00 0.00 H new ATOM 246 N LEU A 19 -5.133 -10.231 -8.348 1.00 0.00 N ATOM 247 CA LEU A 19 -6.073 -9.831 -7.307 1.00 0.00 C ATOM 248 C LEU A 19 -5.459 -10.002 -5.922 1.00 0.00 C ATOM 249 O LEU A 19 -6.173 -10.164 -4.933 1.00 0.00 O ATOM 250 CB LEU A 19 -7.361 -10.650 -7.413 1.00 0.00 C ATOM 251 CG LEU A 19 -7.197 -12.169 -7.340 1.00 0.00 C ATOM 252 CD1 LEU A 19 -7.289 -12.647 -5.900 1.00 0.00 C ATOM 253 CD2 LEU A 19 -8.244 -12.860 -8.202 1.00 0.00 C ATOM 0 H LEU A 19 -5.203 -11.210 -8.625 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.308 -8.776 -7.450 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.033 -10.338 -6.614 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.849 -10.402 -8.355 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.210 -12.428 -7.724 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.170 -13.730 -5.868 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.502 -12.178 -5.310 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.261 -12.376 -5.488 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -8.113 -13.940 -8.138 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -9.240 -12.594 -7.848 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.130 -12.541 -9.238 1.00 0.00 H new ATOM 265 N GLU A 20 -4.132 -9.965 -5.860 1.00 0.00 N ATOM 266 CA GLU A 20 -3.423 -10.115 -4.594 1.00 0.00 C ATOM 267 C GLU A 20 -3.220 -8.761 -3.920 1.00 0.00 C ATOM 268 O GLU A 20 -3.674 -8.538 -2.797 1.00 0.00 O ATOM 269 CB GLU A 20 -2.069 -10.793 -4.820 1.00 0.00 C ATOM 270 CG GLU A 20 -2.176 -12.163 -5.466 1.00 0.00 C ATOM 271 CD GLU A 20 -0.855 -12.909 -5.474 1.00 0.00 C ATOM 272 OE1 GLU A 20 -0.145 -12.871 -4.447 1.00 0.00 O ATOM 273 OE2 GLU A 20 -0.531 -13.530 -6.507 1.00 0.00 O ATOM 0 H GLU A 20 -3.527 -9.833 -6.670 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.030 -10.740 -3.939 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.451 -10.151 -5.448 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.557 -10.891 -3.863 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.920 -12.755 -4.933 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.532 -12.051 -6.490 1.00 0.00 H new ATOM 280 N THR A 21 -2.532 -7.859 -4.613 1.00 0.00 N ATOM 281 CA THR A 21 -2.267 -6.528 -4.083 1.00 0.00 C ATOM 282 C THR A 21 -2.252 -5.485 -5.194 1.00 0.00 C ATOM 283 O THR A 21 -1.875 -5.763 -6.333 1.00 0.00 O ATOM 284 CB THR A 21 -0.923 -6.480 -3.331 1.00 0.00 C ATOM 285 OG1 THR A 21 0.131 -6.131 -4.235 1.00 0.00 O ATOM 286 CG2 THR A 21 -0.618 -7.821 -2.682 1.00 0.00 C ATOM 0 H THR A 21 -2.148 -8.027 -5.543 1.00 0.00 H new ATOM 0 HA THR A 21 -3.074 -6.300 -3.386 1.00 0.00 H new ATOM 0 HB THR A 21 -0.996 -5.724 -2.549 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.982 -6.101 -3.750 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.336 -7.763 -2.157 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.408 -8.070 -1.973 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.563 -8.593 -3.450 1.00 0.00 H new ATOM 294 N PRO A 22 -2.670 -4.255 -4.860 1.00 0.00 N ATOM 295 CA PRO A 22 -2.712 -3.146 -5.816 1.00 0.00 C ATOM 296 C PRO A 22 -1.319 -2.670 -6.215 1.00 0.00 C ATOM 297 O PRO A 22 -0.390 -2.693 -5.407 1.00 0.00 O ATOM 298 CB PRO A 22 -3.454 -2.046 -5.052 1.00 0.00 C ATOM 299 CG PRO A 22 -3.212 -2.354 -3.615 1.00 0.00 C ATOM 300 CD PRO A 22 -3.133 -3.853 -3.520 1.00 0.00 C ATOM 0 HA PRO A 22 -3.193 -3.433 -6.751 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.076 -1.058 -5.314 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -4.519 -2.052 -5.284 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -2.288 -1.892 -3.267 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -4.017 -1.965 -2.992 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -2.438 -4.170 -2.743 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -4.101 -4.292 -3.281 1.00 0.00 H new ATOM 308 N SER A 23 -1.180 -2.239 -7.464 1.00 0.00 N ATOM 309 CA SER A 23 0.101 -1.760 -7.971 1.00 0.00 C ATOM 310 C SER A 23 0.747 -0.793 -6.985 1.00 0.00 C ATOM 311 O SER A 23 1.925 -0.927 -6.649 1.00 0.00 O ATOM 312 CB SER A 23 -0.085 -1.077 -9.326 1.00 0.00 C ATOM 313 OG SER A 23 -0.919 -1.848 -10.176 1.00 0.00 O ATOM 0 H SER A 23 -1.939 -2.211 -8.145 1.00 0.00 H new ATOM 0 HA SER A 23 0.759 -2.620 -8.094 1.00 0.00 H new ATOM 0 HB2 SER A 23 -0.522 -0.089 -9.182 1.00 0.00 H new ATOM 0 HB3 SER A 23 0.886 -0.930 -9.799 1.00 0.00 H new ATOM 0 HG SER A 23 -1.024 -1.389 -11.036 1.00 0.00 H new ATOM 319 N CYS A 24 -0.030 0.181 -6.526 1.00 0.00 N ATOM 320 CA CYS A 24 0.465 1.173 -5.579 1.00 0.00 C ATOM 321 C CYS A 24 1.329 0.518 -4.506 1.00 0.00 C ATOM 322 O CYS A 24 2.393 1.027 -4.154 1.00 0.00 O ATOM 323 CB CYS A 24 -0.702 1.915 -4.927 1.00 0.00 C ATOM 324 SG CYS A 24 -1.858 0.841 -4.043 1.00 0.00 S ATOM 0 H CYS A 24 -1.006 0.305 -6.794 1.00 0.00 H new ATOM 0 HA CYS A 24 1.078 1.887 -6.128 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -0.305 2.654 -4.231 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.247 2.462 -5.697 1.00 0.00 H new ATOM 0 HG CYS A 24 -2.809 1.560 -3.524 1.00 0.00 H new ATOM 330 N PHE A 25 0.863 -0.614 -3.990 1.00 0.00 N ATOM 331 CA PHE A 25 1.592 -1.339 -2.955 1.00 0.00 C ATOM 332 C PHE A 25 3.054 -1.527 -3.350 1.00 0.00 C ATOM 333 O PHE A 25 3.387 -1.581 -4.534 1.00 0.00 O ATOM 334 CB PHE A 25 0.941 -2.701 -2.702 1.00 0.00 C ATOM 335 CG PHE A 25 1.741 -3.588 -1.793 1.00 0.00 C ATOM 336 CD1 PHE A 25 2.784 -4.352 -2.291 1.00 0.00 C ATOM 337 CD2 PHE A 25 1.452 -3.658 -0.439 1.00 0.00 C ATOM 338 CE1 PHE A 25 3.522 -5.170 -1.457 1.00 0.00 C ATOM 339 CE2 PHE A 25 2.187 -4.474 0.400 1.00 0.00 C ATOM 340 CZ PHE A 25 3.224 -5.231 -0.109 1.00 0.00 C ATOM 0 H PHE A 25 -0.016 -1.049 -4.271 1.00 0.00 H new ATOM 0 HA PHE A 25 1.554 -0.750 -2.039 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -0.047 -2.547 -2.269 1.00 0.00 H new ATOM 0 HB3 PHE A 25 0.796 -3.208 -3.656 1.00 0.00 H new ATOM 0 HD1 PHE A 25 3.023 -4.308 -3.343 1.00 0.00 H new ATOM 0 HD2 PHE A 25 0.643 -3.068 -0.035 1.00 0.00 H new ATOM 0 HE1 PHE A 25 4.331 -5.762 -1.859 1.00 0.00 H new ATOM 0 HE2 PHE A 25 1.951 -4.520 1.453 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.800 -5.869 0.545 1.00 0.00 H new ATOM 350 N LEU A 26 3.922 -1.627 -2.350 1.00 0.00 N ATOM 351 CA LEU A 26 5.349 -1.809 -2.590 1.00 0.00 C ATOM 352 C LEU A 26 6.008 -2.546 -1.428 1.00 0.00 C ATOM 353 O LEU A 26 5.554 -2.459 -0.287 1.00 0.00 O ATOM 354 CB LEU A 26 6.028 -0.455 -2.801 1.00 0.00 C ATOM 355 CG LEU A 26 5.314 0.754 -2.196 1.00 0.00 C ATOM 356 CD1 LEU A 26 5.299 0.661 -0.678 1.00 0.00 C ATOM 357 CD2 LEU A 26 5.980 2.047 -2.646 1.00 0.00 C ATOM 0 H LEU A 26 3.663 -1.585 -1.364 1.00 0.00 H new ATOM 0 HA LEU A 26 5.466 -2.411 -3.491 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.033 -0.506 -2.382 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.137 -0.289 -3.873 1.00 0.00 H new ATOM 0 HG LEU A 26 4.283 0.757 -2.550 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.787 1.530 -0.265 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.777 -0.246 -0.374 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.323 0.632 -0.305 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.459 2.897 -2.206 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.021 2.052 -2.322 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.938 2.119 -3.733 1.00 0.00 H new ATOM 369 N LYS A 27 7.082 -3.269 -1.726 1.00 0.00 N ATOM 370 CA LYS A 27 7.806 -4.019 -0.707 1.00 0.00 C ATOM 371 C LYS A 27 8.944 -3.186 -0.124 1.00 0.00 C ATOM 372 O LYS A 27 9.979 -2.999 -0.763 1.00 0.00 O ATOM 373 CB LYS A 27 8.362 -5.317 -1.297 1.00 0.00 C ATOM 374 CG LYS A 27 7.292 -6.235 -1.862 1.00 0.00 C ATOM 375 CD LYS A 27 7.798 -7.662 -2.001 1.00 0.00 C ATOM 376 CE LYS A 27 6.651 -8.644 -2.186 1.00 0.00 C ATOM 377 NZ LYS A 27 7.140 -10.040 -2.358 1.00 0.00 N ATOM 0 H LYS A 27 7.470 -3.351 -2.666 1.00 0.00 H new ATOM 0 HA LYS A 27 7.108 -4.261 0.094 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.073 -5.072 -2.086 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.915 -5.850 -0.524 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.418 -6.220 -1.211 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.971 -5.865 -2.836 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.476 -7.728 -2.852 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.372 -7.934 -1.115 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.988 -8.595 -1.322 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.062 -8.355 -3.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.329 -10.679 -2.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.753 -10.092 -3.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.680 -10.325 -1.516 1.00 0.00 H new ATOM 391 N VAL A 28 8.744 -2.688 1.092 1.00 0.00 N ATOM 392 CA VAL A 28 9.754 -1.877 1.762 1.00 0.00 C ATOM 393 C VAL A 28 9.679 -2.047 3.275 1.00 0.00 C ATOM 394 O VAL A 28 8.788 -2.720 3.792 1.00 0.00 O ATOM 395 CB VAL A 28 9.595 -0.385 1.416 1.00 0.00 C ATOM 396 CG1 VAL A 28 9.397 -0.203 -0.081 1.00 0.00 C ATOM 397 CG2 VAL A 28 8.436 0.222 2.192 1.00 0.00 C ATOM 0 H VAL A 28 7.892 -2.832 1.633 1.00 0.00 H new ATOM 0 HA VAL A 28 10.725 -2.223 1.408 1.00 0.00 H new ATOM 0 HB VAL A 28 10.508 0.136 1.705 1.00 0.00 H new ATOM 0 HG11 VAL A 28 9.286 0.858 -0.307 1.00 0.00 H new ATOM 0 HG12 VAL A 28 10.262 -0.599 -0.613 1.00 0.00 H new ATOM 0 HG13 VAL A 28 8.501 -0.737 -0.397 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.339 1.277 1.935 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.514 -0.300 1.937 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.624 0.125 3.261 1.00 0.00 H new ATOM 407 N SER A 29 10.622 -1.431 3.981 1.00 0.00 N ATOM 408 CA SER A 29 10.667 -1.517 5.436 1.00 0.00 C ATOM 409 C SER A 29 9.791 -0.439 6.070 1.00 0.00 C ATOM 410 O SER A 29 9.454 0.557 5.431 1.00 0.00 O ATOM 411 CB SER A 29 12.107 -1.377 5.933 1.00 0.00 C ATOM 412 OG SER A 29 12.510 -0.018 5.953 1.00 0.00 O ATOM 0 H SER A 29 11.365 -0.867 3.569 1.00 0.00 H new ATOM 0 HA SER A 29 10.283 -2.494 5.730 1.00 0.00 H new ATOM 0 HB2 SER A 29 12.192 -1.800 6.934 1.00 0.00 H new ATOM 0 HB3 SER A 29 12.775 -1.948 5.288 1.00 0.00 H new ATOM 0 HG SER A 29 13.375 0.073 5.501 1.00 0.00 H new ATOM 418 N ARG A 30 9.428 -0.648 7.331 1.00 0.00 N ATOM 419 CA ARG A 30 8.591 0.304 8.052 1.00 0.00 C ATOM 420 C ARG A 30 9.241 1.683 8.086 1.00 0.00 C ATOM 421 O ARG A 30 8.566 2.694 8.284 1.00 0.00 O ATOM 422 CB ARG A 30 8.338 -0.187 9.480 1.00 0.00 C ATOM 423 CG ARG A 30 9.505 0.055 10.423 1.00 0.00 C ATOM 424 CD ARG A 30 10.536 -1.058 10.329 1.00 0.00 C ATOM 425 NE ARG A 30 10.015 -2.330 10.822 1.00 0.00 N ATOM 426 CZ ARG A 30 10.548 -3.509 10.519 1.00 0.00 C ATOM 427 NH1 ARG A 30 11.610 -3.577 9.728 1.00 0.00 N ATOM 428 NH2 ARG A 30 10.016 -4.623 11.005 1.00 0.00 N ATOM 0 H ARG A 30 9.700 -1.467 7.874 1.00 0.00 H new ATOM 0 HA ARG A 30 7.639 0.383 7.527 1.00 0.00 H new ATOM 0 HB2 ARG A 30 7.453 0.312 9.875 1.00 0.00 H new ATOM 0 HB3 ARG A 30 8.118 -1.254 9.455 1.00 0.00 H new ATOM 0 HG2 ARG A 30 9.975 1.009 10.185 1.00 0.00 H new ATOM 0 HG3 ARG A 30 9.138 0.127 11.447 1.00 0.00 H new ATOM 0 HD2 ARG A 30 10.852 -1.173 9.292 1.00 0.00 H new ATOM 0 HD3 ARG A 30 11.421 -0.782 10.903 1.00 0.00 H new ATOM 0 HE ARG A 30 9.198 -2.313 11.432 1.00 0.00 H new ATOM 0 HH11 ARG A 30 12.020 -2.723 9.350 1.00 0.00 H new ATOM 0 HH12 ARG A 30 12.017 -4.483 9.497 1.00 0.00 H new ATOM 0 HH21 ARG A 30 9.197 -4.575 11.612 1.00 0.00 H new ATOM 0 HH22 ARG A 30 10.426 -5.528 10.772 1.00 0.00 H new ATOM 442 N LEU A 31 10.555 1.718 7.890 1.00 0.00 N ATOM 443 CA LEU A 31 11.297 2.974 7.898 1.00 0.00 C ATOM 444 C LEU A 31 11.305 3.610 6.511 1.00 0.00 C ATOM 445 O LEU A 31 10.891 4.756 6.342 1.00 0.00 O ATOM 446 CB LEU A 31 12.732 2.738 8.372 1.00 0.00 C ATOM 447 CG LEU A 31 12.902 2.404 9.854 1.00 0.00 C ATOM 448 CD1 LEU A 31 14.242 1.728 10.099 1.00 0.00 C ATOM 449 CD2 LEU A 31 12.775 3.661 10.703 1.00 0.00 C ATOM 0 H LEU A 31 11.128 0.891 7.724 1.00 0.00 H new ATOM 0 HA LEU A 31 10.801 3.657 8.588 1.00 0.00 H new ATOM 0 HB2 LEU A 31 13.158 1.924 7.785 1.00 0.00 H new ATOM 0 HB3 LEU A 31 13.318 3.630 8.152 1.00 0.00 H new ATOM 0 HG LEU A 31 12.111 1.713 10.143 1.00 0.00 H new ATOM 0 HD11 LEU A 31 14.345 1.498 11.159 1.00 0.00 H new ATOM 0 HD12 LEU A 31 14.295 0.806 9.521 1.00 0.00 H new ATOM 0 HD13 LEU A 31 15.048 2.395 9.793 1.00 0.00 H new ATOM 0 HD21 LEU A 31 12.899 3.404 11.755 1.00 0.00 H new ATOM 0 HD22 LEU A 31 13.544 4.376 10.411 1.00 0.00 H new ATOM 0 HD23 LEU A 31 11.791 4.105 10.551 1.00 0.00 H new ATOM 461 N GLU A 32 11.777 2.856 5.523 1.00 0.00 N ATOM 462 CA GLU A 32 11.837 3.346 4.151 1.00 0.00 C ATOM 463 C GLU A 32 10.512 3.982 3.742 1.00 0.00 C ATOM 464 O GLU A 32 10.462 5.154 3.368 1.00 0.00 O ATOM 465 CB GLU A 32 12.185 2.205 3.193 1.00 0.00 C ATOM 466 CG GLU A 32 13.679 1.978 3.034 1.00 0.00 C ATOM 467 CD GLU A 32 14.439 2.171 4.333 1.00 0.00 C ATOM 468 OE1 GLU A 32 14.596 3.333 4.762 1.00 0.00 O ATOM 469 OE2 GLU A 32 14.878 1.159 4.919 1.00 0.00 O ATOM 0 H GLU A 32 12.123 1.905 5.647 1.00 0.00 H new ATOM 0 HA GLU A 32 12.617 4.106 4.098 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.723 1.286 3.553 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.752 2.418 2.215 1.00 0.00 H new ATOM 0 HG2 GLU A 32 13.852 0.968 2.663 1.00 0.00 H new ATOM 0 HG3 GLU A 32 14.069 2.665 2.283 1.00 0.00 H new ATOM 476 N ALA A 33 9.439 3.201 3.816 1.00 0.00 N ATOM 477 CA ALA A 33 8.114 3.686 3.455 1.00 0.00 C ATOM 478 C ALA A 33 7.952 5.160 3.814 1.00 0.00 C ATOM 479 O ALA A 33 7.338 5.924 3.072 1.00 0.00 O ATOM 480 CB ALA A 33 7.041 2.854 4.141 1.00 0.00 C ATOM 0 H ALA A 33 9.463 2.229 4.123 1.00 0.00 H new ATOM 0 HA ALA A 33 8.000 3.586 2.376 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.056 3.228 3.862 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.135 1.813 3.832 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.162 2.924 5.222 1.00 0.00 H new ATOM 486 N GLN A 34 8.508 5.550 4.956 1.00 0.00 N ATOM 487 CA GLN A 34 8.425 6.932 5.413 1.00 0.00 C ATOM 488 C GLN A 34 9.232 7.855 4.508 1.00 0.00 C ATOM 489 O GLN A 34 8.726 8.870 4.028 1.00 0.00 O ATOM 490 CB GLN A 34 8.924 7.046 6.854 1.00 0.00 C ATOM 491 CG GLN A 34 8.297 8.195 7.627 1.00 0.00 C ATOM 492 CD GLN A 34 9.221 8.757 8.690 1.00 0.00 C ATOM 493 OE1 GLN A 34 9.740 8.020 9.529 1.00 0.00 O ATOM 494 NE2 GLN A 34 9.431 10.067 8.660 1.00 0.00 N ATOM 0 H GLN A 34 9.021 4.929 5.582 1.00 0.00 H new ATOM 0 HA GLN A 34 7.380 7.238 5.373 1.00 0.00 H new ATOM 0 HB2 GLN A 34 8.717 6.112 7.376 1.00 0.00 H new ATOM 0 HB3 GLN A 34 10.007 7.173 6.846 1.00 0.00 H new ATOM 0 HG2 GLN A 34 8.024 8.989 6.932 1.00 0.00 H new ATOM 0 HG3 GLN A 34 7.375 7.852 8.097 1.00 0.00 H new ATOM 0 HE21 GLN A 34 8.980 10.640 7.946 1.00 0.00 H new ATOM 0 HE22 GLN A 34 10.043 10.501 9.350 1.00 0.00 H new ATOM 503 N LEU A 35 10.491 7.497 4.278 1.00 0.00 N ATOM 504 CA LEU A 35 11.371 8.294 3.431 1.00 0.00 C ATOM 505 C LEU A 35 10.761 8.489 2.046 1.00 0.00 C ATOM 506 O LEU A 35 10.824 9.580 1.477 1.00 0.00 O ATOM 507 CB LEU A 35 12.739 7.622 3.308 1.00 0.00 C ATOM 508 CG LEU A 35 12.898 6.629 2.156 1.00 0.00 C ATOM 509 CD1 LEU A 35 13.112 7.364 0.843 1.00 0.00 C ATOM 510 CD2 LEU A 35 14.052 5.675 2.430 1.00 0.00 C ATOM 0 H LEU A 35 10.925 6.660 4.667 1.00 0.00 H new ATOM 0 HA LEU A 35 11.495 9.272 3.895 1.00 0.00 H new ATOM 0 HB2 LEU A 35 13.495 8.400 3.198 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.951 7.101 4.242 1.00 0.00 H new ATOM 0 HG LEU A 35 11.981 6.045 2.076 1.00 0.00 H new ATOM 0 HD11 LEU A 35 13.223 6.641 0.035 1.00 0.00 H new ATOM 0 HD12 LEU A 35 12.254 8.005 0.641 1.00 0.00 H new ATOM 0 HD13 LEU A 35 14.013 7.974 0.910 1.00 0.00 H new ATOM 0 HD21 LEU A 35 14.151 4.975 1.600 1.00 0.00 H new ATOM 0 HD22 LEU A 35 14.976 6.243 2.538 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.857 5.122 3.349 1.00 0.00 H new ATOM 522 N LEU A 36 10.170 7.428 1.509 1.00 0.00 N ATOM 523 CA LEU A 36 9.546 7.482 0.192 1.00 0.00 C ATOM 524 C LEU A 36 8.588 8.664 0.092 1.00 0.00 C ATOM 525 O LEU A 36 8.339 9.185 -0.996 1.00 0.00 O ATOM 526 CB LEU A 36 8.799 6.179 -0.095 1.00 0.00 C ATOM 527 CG LEU A 36 9.607 5.078 -0.783 1.00 0.00 C ATOM 528 CD1 LEU A 36 10.282 4.187 0.249 1.00 0.00 C ATOM 529 CD2 LEU A 36 8.713 4.254 -1.698 1.00 0.00 C ATOM 0 H LEU A 36 10.110 6.518 1.966 1.00 0.00 H new ATOM 0 HA LEU A 36 10.333 7.612 -0.551 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.418 5.787 0.848 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.934 6.409 -0.717 1.00 0.00 H new ATOM 0 HG LEU A 36 10.381 5.547 -1.390 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.852 3.409 -0.259 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.953 4.786 0.864 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.524 3.726 0.883 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.304 3.475 -2.179 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.917 3.795 -1.112 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.277 4.901 -2.459 1.00 0.00 H new ATOM 541 N LEU A 37 8.054 9.084 1.234 1.00 0.00 N ATOM 542 CA LEU A 37 7.124 10.207 1.276 1.00 0.00 C ATOM 543 C LEU A 37 7.860 11.531 1.091 1.00 0.00 C ATOM 544 O LEU A 37 7.679 12.217 0.085 1.00 0.00 O ATOM 545 CB LEU A 37 6.364 10.216 2.602 1.00 0.00 C ATOM 546 CG LEU A 37 5.565 8.953 2.926 1.00 0.00 C ATOM 547 CD1 LEU A 37 5.057 8.995 4.359 1.00 0.00 C ATOM 548 CD2 LEU A 37 4.407 8.790 1.952 1.00 0.00 C ATOM 0 H LEU A 37 8.249 8.664 2.143 1.00 0.00 H new ATOM 0 HA LEU A 37 6.414 10.089 0.458 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.079 10.386 3.407 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.680 11.064 2.600 1.00 0.00 H new ATOM 0 HG LEU A 37 6.225 8.092 2.822 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.491 8.088 4.571 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.903 9.063 5.043 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.413 9.864 4.491 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.849 7.886 2.198 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.747 9.654 2.024 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.794 8.713 0.936 1.00 0.00 H new ATOM 560 N GLU A 38 8.691 11.882 2.066 1.00 0.00 N ATOM 561 CA GLU A 38 9.455 13.123 2.009 1.00 0.00 C ATOM 562 C GLU A 38 10.273 13.199 0.722 1.00 0.00 C ATOM 563 O GLU A 38 10.442 14.274 0.146 1.00 0.00 O ATOM 564 CB GLU A 38 10.382 13.233 3.222 1.00 0.00 C ATOM 565 CG GLU A 38 11.239 12.000 3.448 1.00 0.00 C ATOM 566 CD GLU A 38 12.560 12.063 2.708 1.00 0.00 C ATOM 567 OE1 GLU A 38 12.877 13.134 2.149 1.00 0.00 O ATOM 568 OE2 GLU A 38 13.277 11.041 2.687 1.00 0.00 O ATOM 0 H GLU A 38 8.853 11.325 2.905 1.00 0.00 H new ATOM 0 HA GLU A 38 8.751 13.955 2.022 1.00 0.00 H new ATOM 0 HB2 GLU A 38 11.032 14.098 3.094 1.00 0.00 H new ATOM 0 HB3 GLU A 38 9.781 13.415 4.113 1.00 0.00 H new ATOM 0 HG2 GLU A 38 11.430 11.886 4.515 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.689 11.116 3.126 1.00 0.00 H new ATOM 575 N ARG A 39 10.777 12.052 0.280 1.00 0.00 N ATOM 576 CA ARG A 39 11.578 11.989 -0.937 1.00 0.00 C ATOM 577 C ARG A 39 10.699 12.144 -2.175 1.00 0.00 C ATOM 578 O ARG A 39 10.976 12.969 -3.046 1.00 0.00 O ATOM 579 CB ARG A 39 12.341 10.665 -1.002 1.00 0.00 C ATOM 580 CG ARG A 39 13.725 10.728 -0.378 1.00 0.00 C ATOM 581 CD ARG A 39 14.779 11.123 -1.399 1.00 0.00 C ATOM 582 NE ARG A 39 15.358 9.960 -2.067 1.00 0.00 N ATOM 583 CZ ARG A 39 16.370 9.257 -1.572 1.00 0.00 C ATOM 584 NH1 ARG A 39 16.912 9.596 -0.410 1.00 0.00 N ATOM 585 NH2 ARG A 39 16.842 8.212 -2.238 1.00 0.00 N ATOM 0 H ARG A 39 10.645 11.154 0.746 1.00 0.00 H new ATOM 0 HA ARG A 39 12.293 12.812 -0.915 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.759 9.895 -0.496 1.00 0.00 H new ATOM 0 HB3 ARG A 39 12.435 10.361 -2.044 1.00 0.00 H new ATOM 0 HG2 ARG A 39 13.723 11.447 0.441 1.00 0.00 H new ATOM 0 HG3 ARG A 39 13.977 9.758 0.050 1.00 0.00 H new ATOM 0 HD2 ARG A 39 14.333 11.784 -2.143 1.00 0.00 H new ATOM 0 HD3 ARG A 39 15.569 11.687 -0.904 1.00 0.00 H new ATOM 0 HE ARG A 39 14.963 9.672 -2.962 1.00 0.00 H new ATOM 0 HH11 ARG A 39 16.552 10.399 0.106 1.00 0.00 H new ATOM 0 HH12 ARG A 39 17.689 9.054 -0.032 1.00 0.00 H new ATOM 0 HH21 ARG A 39 16.428 7.947 -3.132 1.00 0.00 H new ATOM 0 HH22 ARG A 39 17.619 7.673 -1.857 1.00 0.00 H new ATOM 599 N TYR A 40 9.640 11.346 -2.246 1.00 0.00 N ATOM 600 CA TYR A 40 8.722 11.392 -3.378 1.00 0.00 C ATOM 601 C TYR A 40 7.314 11.762 -2.923 1.00 0.00 C ATOM 602 O TYR A 40 6.423 10.918 -2.827 1.00 0.00 O ATOM 603 CB TYR A 40 8.700 10.042 -4.098 1.00 0.00 C ATOM 604 CG TYR A 40 10.008 9.289 -4.014 1.00 0.00 C ATOM 605 CD1 TYR A 40 11.222 9.944 -4.175 1.00 0.00 C ATOM 606 CD2 TYR A 40 10.030 7.920 -3.773 1.00 0.00 C ATOM 607 CE1 TYR A 40 12.419 9.260 -4.099 1.00 0.00 C ATOM 608 CE2 TYR A 40 11.223 7.228 -3.695 1.00 0.00 C ATOM 609 CZ TYR A 40 12.415 7.902 -3.859 1.00 0.00 C ATOM 610 OH TYR A 40 13.605 7.216 -3.782 1.00 0.00 O ATOM 0 H TYR A 40 9.396 10.659 -1.533 1.00 0.00 H new ATOM 0 HA TYR A 40 9.074 12.159 -4.068 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.908 9.426 -3.673 1.00 0.00 H new ATOM 0 HB3 TYR A 40 8.450 10.203 -5.147 1.00 0.00 H new ATOM 0 HD1 TYR A 40 11.230 11.007 -4.363 1.00 0.00 H new ATOM 0 HD2 TYR A 40 9.099 7.389 -3.645 1.00 0.00 H new ATOM 0 HE1 TYR A 40 13.354 9.786 -4.227 1.00 0.00 H new ATOM 0 HE2 TYR A 40 11.222 6.165 -3.507 1.00 0.00 H new ATOM 0 HH TYR A 40 13.426 6.269 -3.607 1.00 0.00 H new ATOM 620 N PRO A 41 7.108 13.057 -2.638 1.00 0.00 N ATOM 621 CA PRO A 41 5.810 13.570 -2.190 1.00 0.00 C ATOM 622 C PRO A 41 4.763 13.546 -3.298 1.00 0.00 C ATOM 623 O PRO A 41 3.629 13.116 -3.084 1.00 0.00 O ATOM 624 CB PRO A 41 6.121 15.012 -1.780 1.00 0.00 C ATOM 625 CG PRO A 41 7.323 15.381 -2.579 1.00 0.00 C ATOM 626 CD PRO A 41 8.124 14.118 -2.731 1.00 0.00 C ATOM 0 HA PRO A 41 5.388 12.965 -1.387 1.00 0.00 H new ATOM 0 HB2 PRO A 41 5.283 15.675 -1.996 1.00 0.00 H new ATOM 0 HB3 PRO A 41 6.318 15.086 -0.711 1.00 0.00 H new ATOM 0 HG2 PRO A 41 7.037 15.781 -3.552 1.00 0.00 H new ATOM 0 HG3 PRO A 41 7.904 16.153 -2.075 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.650 14.088 -3.685 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.877 14.023 -1.949 1.00 0.00 H new ATOM 634 N GLU A 42 5.151 14.009 -4.482 1.00 0.00 N ATOM 635 CA GLU A 42 4.243 14.041 -5.624 1.00 0.00 C ATOM 636 C GLU A 42 3.659 12.656 -5.892 1.00 0.00 C ATOM 637 O GLU A 42 2.479 12.523 -6.220 1.00 0.00 O ATOM 638 CB GLU A 42 4.972 14.549 -6.869 1.00 0.00 C ATOM 639 CG GLU A 42 6.205 13.735 -7.227 1.00 0.00 C ATOM 640 CD GLU A 42 6.855 14.198 -8.517 1.00 0.00 C ATOM 641 OE1 GLU A 42 6.230 14.037 -9.586 1.00 0.00 O ATOM 642 OE2 GLU A 42 7.988 14.720 -8.456 1.00 0.00 O ATOM 0 H GLU A 42 6.086 14.367 -4.676 1.00 0.00 H new ATOM 0 HA GLU A 42 3.426 14.722 -5.388 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.282 14.539 -7.713 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.266 15.587 -6.710 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.929 13.803 -6.415 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.928 12.685 -7.320 1.00 0.00 H new ATOM 649 N CYS A 43 4.491 11.632 -5.751 1.00 0.00 N ATOM 650 CA CYS A 43 4.059 10.258 -5.979 1.00 0.00 C ATOM 651 C CYS A 43 2.800 9.943 -5.177 1.00 0.00 C ATOM 652 O CYS A 43 1.865 9.327 -5.685 1.00 0.00 O ATOM 653 CB CYS A 43 5.174 9.281 -5.604 1.00 0.00 C ATOM 654 SG CYS A 43 6.528 9.212 -6.801 1.00 0.00 S ATOM 0 H CYS A 43 5.470 11.727 -5.480 1.00 0.00 H new ATOM 0 HA CYS A 43 3.830 10.147 -7.039 1.00 0.00 H new ATOM 0 HB2 CYS A 43 5.577 9.562 -4.631 1.00 0.00 H new ATOM 0 HB3 CYS A 43 4.748 8.284 -5.496 1.00 0.00 H new ATOM 0 HG CYS A 43 7.423 8.360 -6.396 1.00 0.00 H new ATOM 660 N GLY A 44 2.785 10.371 -3.918 1.00 0.00 N ATOM 661 CA GLY A 44 1.637 10.125 -3.064 1.00 0.00 C ATOM 662 C GLY A 44 2.022 9.959 -1.608 1.00 0.00 C ATOM 663 O GLY A 44 3.202 10.010 -1.261 1.00 0.00 O ATOM 0 H GLY A 44 3.547 10.884 -3.474 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.934 10.953 -3.158 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.121 9.228 -3.405 1.00 0.00 H new ATOM 667 N ASN A 45 1.025 9.761 -0.753 1.00 0.00 N ATOM 668 CA ASN A 45 1.265 9.590 0.676 1.00 0.00 C ATOM 669 C ASN A 45 0.755 8.235 1.154 1.00 0.00 C ATOM 670 O ASN A 45 1.383 7.581 1.989 1.00 0.00 O ATOM 671 CB ASN A 45 0.588 10.711 1.466 1.00 0.00 C ATOM 672 CG ASN A 45 -0.832 10.359 1.868 1.00 0.00 C ATOM 673 OD1 ASN A 45 -1.130 10.193 3.050 1.00 0.00 O ATOM 674 ND2 ASN A 45 -1.714 10.245 0.883 1.00 0.00 N ATOM 0 H ASN A 45 0.043 9.715 -1.024 1.00 0.00 H new ATOM 0 HA ASN A 45 2.341 9.634 0.847 1.00 0.00 H new ATOM 0 HB2 ASN A 45 1.173 10.926 2.360 1.00 0.00 H new ATOM 0 HB3 ASN A 45 0.578 11.620 0.865 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.684 10.011 1.092 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.421 10.392 -0.083 1.00 0.00 H new ATOM 681 N LEU A 46 -0.388 7.817 0.622 1.00 0.00 N ATOM 682 CA LEU A 46 -0.984 6.538 0.994 1.00 0.00 C ATOM 683 C LEU A 46 -0.224 5.378 0.359 1.00 0.00 C ATOM 684 O LEU A 46 -0.518 4.972 -0.767 1.00 0.00 O ATOM 685 CB LEU A 46 -2.452 6.495 0.568 1.00 0.00 C ATOM 686 CG LEU A 46 -3.114 5.117 0.581 1.00 0.00 C ATOM 687 CD1 LEU A 46 -3.502 4.724 1.997 1.00 0.00 C ATOM 688 CD2 LEU A 46 -4.333 5.101 -0.332 1.00 0.00 C ATOM 0 H LEU A 46 -0.921 8.345 -0.069 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.923 6.438 2.078 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.020 7.155 1.224 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.529 6.904 -0.439 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.396 4.387 0.207 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.972 3.740 1.986 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.610 4.693 2.623 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.203 5.456 2.399 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.791 4.112 -0.310 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.054 5.843 0.011 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.027 5.337 -1.351 1.00 0.00 H new ATOM 700 N LEU A 47 0.753 4.849 1.087 1.00 0.00 N ATOM 701 CA LEU A 47 1.554 3.732 0.595 1.00 0.00 C ATOM 702 C LEU A 47 1.349 2.493 1.461 1.00 0.00 C ATOM 703 O LEU A 47 1.363 2.572 2.690 1.00 0.00 O ATOM 704 CB LEU A 47 3.035 4.114 0.573 1.00 0.00 C ATOM 705 CG LEU A 47 3.808 3.881 1.872 1.00 0.00 C ATOM 706 CD1 LEU A 47 4.254 2.431 1.975 1.00 0.00 C ATOM 707 CD2 LEU A 47 5.005 4.817 1.955 1.00 0.00 C ATOM 0 H LEU A 47 1.010 5.174 2.019 1.00 0.00 H new ATOM 0 HA LEU A 47 1.229 3.501 -0.419 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.523 3.551 -0.223 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.114 5.169 0.311 1.00 0.00 H new ATOM 0 HG LEU A 47 3.145 4.096 2.710 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.802 2.284 2.906 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.380 1.780 1.962 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.900 2.188 1.131 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.543 4.637 2.886 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.669 4.634 1.110 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.661 5.851 1.929 1.00 0.00 H new ATOM 719 N LEU A 48 1.162 1.349 0.811 1.00 0.00 N ATOM 720 CA LEU A 48 0.957 0.091 1.521 1.00 0.00 C ATOM 721 C LEU A 48 2.233 -0.743 1.529 1.00 0.00 C ATOM 722 O LEU A 48 2.745 -1.123 0.477 1.00 0.00 O ATOM 723 CB LEU A 48 -0.180 -0.701 0.875 1.00 0.00 C ATOM 724 CG LEU A 48 -1.595 -0.190 1.147 1.00 0.00 C ATOM 725 CD1 LEU A 48 -2.001 0.838 0.101 1.00 0.00 C ATOM 726 CD2 LEU A 48 -2.585 -1.345 1.174 1.00 0.00 C ATOM 0 H LEU A 48 1.148 1.267 -0.206 1.00 0.00 H new ATOM 0 HA LEU A 48 0.690 0.322 2.552 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.021 -0.712 -0.203 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.116 -1.734 1.218 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.604 0.292 2.125 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.011 1.191 0.310 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.309 1.680 0.130 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.974 0.381 -0.888 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.586 -0.961 1.369 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.573 -1.857 0.212 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.305 -2.046 1.961 1.00 0.00 H new ATOM 738 N ARG A 49 2.741 -1.027 2.725 1.00 0.00 N ATOM 739 CA ARG A 49 3.957 -1.817 2.871 1.00 0.00 C ATOM 740 C ARG A 49 3.666 -3.136 3.581 1.00 0.00 C ATOM 741 O ARG A 49 2.733 -3.249 4.377 1.00 0.00 O ATOM 742 CB ARG A 49 5.013 -1.030 3.647 1.00 0.00 C ATOM 743 CG ARG A 49 4.705 -0.896 5.129 1.00 0.00 C ATOM 744 CD ARG A 49 5.795 -0.125 5.857 1.00 0.00 C ATOM 745 NE ARG A 49 5.369 0.301 7.188 1.00 0.00 N ATOM 746 CZ ARG A 49 5.263 -0.523 8.225 1.00 0.00 C ATOM 747 NH1 ARG A 49 5.550 -1.809 8.085 1.00 0.00 N ATOM 748 NH2 ARG A 49 4.869 -0.059 9.403 1.00 0.00 N ATOM 0 H ARG A 49 2.329 -0.721 3.606 1.00 0.00 H new ATOM 0 HA ARG A 49 4.339 -2.037 1.874 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.979 -1.520 3.528 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.105 -0.035 3.212 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.750 -0.388 5.259 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.601 -1.887 5.571 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.684 -0.749 5.944 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.075 0.749 5.269 1.00 0.00 H new ATOM 0 HE ARG A 49 5.140 1.285 7.329 1.00 0.00 H new ATOM 0 HH11 ARG A 49 5.853 -2.168 7.180 1.00 0.00 H new ATOM 0 HH12 ARG A 49 5.468 -2.440 8.882 1.00 0.00 H new ATOM 0 HH21 ARG A 49 4.647 0.930 9.513 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.788 -0.692 10.199 1.00 0.00 H new ATOM 762 N PRO A 50 4.483 -4.160 3.288 1.00 0.00 N ATOM 763 CA PRO A 50 4.333 -5.488 3.889 1.00 0.00 C ATOM 764 C PRO A 50 4.690 -5.499 5.371 1.00 0.00 C ATOM 765 O PRO A 50 5.556 -4.745 5.815 1.00 0.00 O ATOM 766 CB PRO A 50 5.318 -6.349 3.095 1.00 0.00 C ATOM 767 CG PRO A 50 6.343 -5.389 2.597 1.00 0.00 C ATOM 768 CD PRO A 50 5.615 -4.097 2.349 1.00 0.00 C ATOM 0 HA PRO A 50 3.303 -5.842 3.844 1.00 0.00 H new ATOM 0 HB2 PRO A 50 5.768 -7.118 3.723 1.00 0.00 H new ATOM 0 HB3 PRO A 50 4.821 -6.861 2.271 1.00 0.00 H new ATOM 0 HG2 PRO A 50 7.139 -5.254 3.329 1.00 0.00 H new ATOM 0 HG3 PRO A 50 6.809 -5.756 1.683 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.251 -3.233 2.543 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.277 -4.018 1.316 1.00 0.00 H new ATOM 776 N SER A 51 4.019 -6.358 6.131 1.00 0.00 N ATOM 777 CA SER A 51 4.264 -6.463 7.565 1.00 0.00 C ATOM 778 C SER A 51 5.759 -6.420 7.866 1.00 0.00 C ATOM 779 O SER A 51 6.219 -5.605 8.664 1.00 0.00 O ATOM 780 CB SER A 51 3.660 -7.758 8.113 1.00 0.00 C ATOM 781 OG SER A 51 4.175 -8.889 7.432 1.00 0.00 O ATOM 0 H SER A 51 3.302 -6.991 5.778 1.00 0.00 H new ATOM 0 HA SER A 51 3.788 -5.612 8.053 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.876 -7.841 9.178 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.575 -7.730 8.009 1.00 0.00 H new ATOM 0 HG SER A 51 4.116 -9.676 8.013 1.00 0.00 H new ATOM 787 N GLY A 52 6.513 -7.303 7.217 1.00 0.00 N ATOM 788 CA GLY A 52 7.948 -7.350 7.428 1.00 0.00 C ATOM 789 C GLY A 52 8.333 -8.228 8.601 1.00 0.00 C ATOM 790 O GLY A 52 9.189 -9.104 8.476 1.00 0.00 O ATOM 0 H GLY A 52 6.155 -7.986 6.549 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.433 -7.722 6.525 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.321 -6.340 7.597 1.00 0.00 H new ATOM 794 N ASP A 53 7.703 -7.992 9.747 1.00 0.00 N ATOM 795 CA ASP A 53 7.986 -8.768 10.949 1.00 0.00 C ATOM 796 C ASP A 53 6.803 -8.728 11.912 1.00 0.00 C ATOM 797 O ASP A 53 5.800 -8.065 11.652 1.00 0.00 O ATOM 798 CB ASP A 53 9.241 -8.237 11.641 1.00 0.00 C ATOM 799 CG ASP A 53 9.043 -6.847 12.214 1.00 0.00 C ATOM 800 OD1 ASP A 53 8.127 -6.139 11.747 1.00 0.00 O ATOM 801 OD2 ASP A 53 9.803 -6.469 13.130 1.00 0.00 O ATOM 0 H ASP A 53 6.993 -7.270 9.869 1.00 0.00 H new ATOM 0 HA ASP A 53 8.155 -9.803 10.652 1.00 0.00 H new ATOM 0 HB2 ASP A 53 9.527 -8.919 12.441 1.00 0.00 H new ATOM 0 HB3 ASP A 53 10.065 -8.219 10.928 1.00 0.00 H new ATOM 806 N GLY A 54 6.928 -9.443 13.025 1.00 0.00 N ATOM 807 CA GLY A 54 5.863 -9.476 14.010 1.00 0.00 C ATOM 808 C GLY A 54 4.805 -10.512 13.686 1.00 0.00 C ATOM 809 O GLY A 54 4.564 -11.430 14.469 1.00 0.00 O ATOM 0 H GLY A 54 7.748 -10.001 13.263 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.287 -9.689 14.992 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.397 -8.492 14.070 1.00 0.00 H new ATOM 813 N ALA A 55 4.172 -10.366 12.526 1.00 0.00 N ATOM 814 CA ALA A 55 3.134 -11.296 12.099 1.00 0.00 C ATOM 815 C ALA A 55 2.961 -11.268 10.586 1.00 0.00 C ATOM 816 O ALA A 55 3.597 -10.474 9.893 1.00 0.00 O ATOM 817 CB ALA A 55 1.818 -10.973 12.790 1.00 0.00 C ATOM 0 H ALA A 55 4.360 -9.612 11.865 1.00 0.00 H new ATOM 0 HA ALA A 55 3.443 -12.302 12.384 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.052 -11.676 12.461 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.945 -11.053 13.870 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.513 -9.958 12.535 1.00 0.00 H new ATOM 823 N ASP A 56 2.096 -12.138 10.077 1.00 0.00 N ATOM 824 CA ASP A 56 1.837 -12.212 8.643 1.00 0.00 C ATOM 825 C ASP A 56 0.680 -11.299 8.252 1.00 0.00 C ATOM 826 O ASP A 56 -0.485 -11.688 8.330 1.00 0.00 O ATOM 827 CB ASP A 56 1.529 -13.653 8.234 1.00 0.00 C ATOM 828 CG ASP A 56 0.662 -14.371 9.250 1.00 0.00 C ATOM 829 OD1 ASP A 56 -0.241 -13.725 9.823 1.00 0.00 O ATOM 830 OD2 ASP A 56 0.886 -15.579 9.471 1.00 0.00 O ATOM 0 H ASP A 56 1.561 -12.803 10.636 1.00 0.00 H new ATOM 0 HA ASP A 56 2.732 -11.877 8.118 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.026 -13.653 7.267 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.464 -14.199 8.108 1.00 0.00 H new ATOM 835 N GLY A 57 1.010 -10.082 7.831 1.00 0.00 N ATOM 836 CA GLY A 57 -0.014 -9.133 7.434 1.00 0.00 C ATOM 837 C GLY A 57 0.538 -8.009 6.579 1.00 0.00 C ATOM 838 O GLY A 57 1.592 -8.151 5.959 1.00 0.00 O ATOM 0 H GLY A 57 1.967 -9.736 7.758 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.795 -9.656 6.882 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.480 -8.712 8.325 1.00 0.00 H new ATOM 842 N VAL A 58 -0.176 -6.888 6.546 1.00 0.00 N ATOM 843 CA VAL A 58 0.249 -5.735 5.759 1.00 0.00 C ATOM 844 C VAL A 58 -0.001 -4.434 6.514 1.00 0.00 C ATOM 845 O VAL A 58 -1.039 -4.265 7.154 1.00 0.00 O ATOM 846 CB VAL A 58 -0.482 -5.679 4.405 1.00 0.00 C ATOM 847 CG1 VAL A 58 -0.078 -4.434 3.632 1.00 0.00 C ATOM 848 CG2 VAL A 58 -0.199 -6.935 3.596 1.00 0.00 C ATOM 0 H VAL A 58 -1.050 -6.753 7.054 1.00 0.00 H new ATOM 0 HA VAL A 58 1.318 -5.849 5.581 1.00 0.00 H new ATOM 0 HB VAL A 58 -1.555 -5.629 4.592 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.604 -4.411 2.678 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.336 -3.547 4.210 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.997 -4.450 3.453 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.723 -6.879 2.642 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.873 -7.018 3.417 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -0.544 -7.809 4.149 1.00 0.00 H new ATOM 858 N SER A 59 0.956 -3.515 6.432 1.00 0.00 N ATOM 859 CA SER A 59 0.842 -2.229 7.110 1.00 0.00 C ATOM 860 C SER A 59 0.586 -1.108 6.108 1.00 0.00 C ATOM 861 O SER A 59 1.077 -1.145 4.979 1.00 0.00 O ATOM 862 CB SER A 59 2.113 -1.935 7.909 1.00 0.00 C ATOM 863 OG SER A 59 1.918 -0.846 8.794 1.00 0.00 O ATOM 0 H SER A 59 1.819 -3.637 5.903 1.00 0.00 H new ATOM 0 HA SER A 59 -0.004 -2.281 7.795 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.404 -2.820 8.475 1.00 0.00 H new ATOM 0 HB3 SER A 59 2.932 -1.710 7.226 1.00 0.00 H new ATOM 0 HG SER A 59 0.963 -0.751 8.991 1.00 0.00 H new ATOM 869 N VAL A 60 -0.186 -0.111 6.529 1.00 0.00 N ATOM 870 CA VAL A 60 -0.506 1.022 5.670 1.00 0.00 C ATOM 871 C VAL A 60 -0.001 2.328 6.272 1.00 0.00 C ATOM 872 O VAL A 60 -0.444 2.746 7.343 1.00 0.00 O ATOM 873 CB VAL A 60 -2.024 1.133 5.431 1.00 0.00 C ATOM 874 CG1 VAL A 60 -2.330 2.254 4.450 1.00 0.00 C ATOM 875 CG2 VAL A 60 -2.583 -0.191 4.932 1.00 0.00 C ATOM 0 H VAL A 60 -0.601 -0.065 7.460 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.007 0.848 4.717 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.507 1.371 6.379 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.407 2.317 4.294 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.966 3.199 4.853 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.837 2.050 3.499 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.656 -0.094 4.769 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.096 -0.461 3.995 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.398 -0.967 5.674 1.00 0.00 H new ATOM 885 N THR A 61 0.931 2.973 5.576 1.00 0.00 N ATOM 886 CA THR A 61 1.498 4.233 6.042 1.00 0.00 C ATOM 887 C THR A 61 0.819 5.421 5.373 1.00 0.00 C ATOM 888 O THR A 61 0.704 5.477 4.148 1.00 0.00 O ATOM 889 CB THR A 61 3.012 4.301 5.769 1.00 0.00 C ATOM 890 OG1 THR A 61 3.664 3.156 6.333 1.00 0.00 O ATOM 891 CG2 THR A 61 3.611 5.571 6.355 1.00 0.00 C ATOM 0 H THR A 61 1.309 2.643 4.688 1.00 0.00 H new ATOM 0 HA THR A 61 1.327 4.279 7.118 1.00 0.00 H new ATOM 0 HB THR A 61 3.164 4.310 4.690 1.00 0.00 H new ATOM 0 HG1 THR A 61 4.626 3.206 6.154 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.681 5.597 6.150 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.134 6.441 5.903 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.448 5.587 7.433 1.00 0.00 H new ATOM 899 N THR A 62 0.369 6.374 6.186 1.00 0.00 N ATOM 900 CA THR A 62 -0.299 7.563 5.672 1.00 0.00 C ATOM 901 C THR A 62 0.213 8.822 6.362 1.00 0.00 C ATOM 902 O THR A 62 0.184 8.926 7.587 1.00 0.00 O ATOM 903 CB THR A 62 -1.826 7.473 5.860 1.00 0.00 C ATOM 904 OG1 THR A 62 -2.144 7.383 7.253 1.00 0.00 O ATOM 905 CG2 THR A 62 -2.393 6.268 5.125 1.00 0.00 C ATOM 0 H THR A 62 0.456 6.344 7.202 1.00 0.00 H new ATOM 0 HA THR A 62 -0.073 7.618 4.607 1.00 0.00 H new ATOM 0 HB THR A 62 -2.274 8.375 5.444 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.443 7.823 7.778 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.472 6.226 5.273 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.176 6.356 4.060 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.938 5.357 5.514 1.00 0.00 H new ATOM 913 N ARG A 63 0.682 9.777 5.565 1.00 0.00 N ATOM 914 CA ARG A 63 1.202 11.031 6.098 1.00 0.00 C ATOM 915 C ARG A 63 0.218 12.173 5.861 1.00 0.00 C ATOM 916 O ARG A 63 0.138 12.716 4.760 1.00 0.00 O ATOM 917 CB ARG A 63 2.550 11.362 5.457 1.00 0.00 C ATOM 918 CG ARG A 63 3.075 12.742 5.823 1.00 0.00 C ATOM 919 CD ARG A 63 3.759 12.735 7.181 1.00 0.00 C ATOM 920 NE ARG A 63 4.784 13.770 7.284 1.00 0.00 N ATOM 921 CZ ARG A 63 4.513 15.067 7.366 1.00 0.00 C ATOM 922 NH1 ARG A 63 3.255 15.487 7.360 1.00 0.00 N ATOM 923 NH2 ARG A 63 5.500 15.949 7.457 1.00 0.00 N ATOM 0 H ARG A 63 0.713 9.706 4.548 1.00 0.00 H new ATOM 0 HA ARG A 63 1.339 10.911 7.173 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.281 10.612 5.760 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.454 11.294 4.373 1.00 0.00 H new ATOM 0 HG2 ARG A 63 3.779 13.079 5.062 1.00 0.00 H new ATOM 0 HG3 ARG A 63 2.251 13.455 5.833 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.014 12.884 7.963 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.211 11.759 7.354 1.00 0.00 H new ATOM 0 HE ARG A 63 5.762 13.480 7.293 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.493 14.813 7.292 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.050 16.484 7.423 1.00 0.00 H new ATOM 0 HH21 ARG A 63 6.469 15.631 7.464 1.00 0.00 H new ATOM 0 HH22 ARG A 63 5.290 16.945 7.520 1.00 0.00 H new ATOM 937 N GLN A 64 -0.528 12.530 6.902 1.00 0.00 N ATOM 938 CA GLN A 64 -1.507 13.606 6.804 1.00 0.00 C ATOM 939 C GLN A 64 -1.012 14.859 7.519 1.00 0.00 C ATOM 940 O GLN A 64 0.069 14.862 8.109 1.00 0.00 O ATOM 941 CB GLN A 64 -2.845 13.162 7.398 1.00 0.00 C ATOM 942 CG GLN A 64 -3.438 11.940 6.715 1.00 0.00 C ATOM 943 CD GLN A 64 -4.505 11.264 7.553 1.00 0.00 C ATOM 944 OE1 GLN A 64 -5.206 11.914 8.330 1.00 0.00 O ATOM 945 NE2 GLN A 64 -4.636 9.951 7.399 1.00 0.00 N ATOM 0 H GLN A 64 -0.473 12.091 7.821 1.00 0.00 H new ATOM 0 HA GLN A 64 -1.646 13.842 5.749 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -2.709 12.945 8.458 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -3.555 13.986 7.330 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.867 12.236 5.757 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -2.643 11.226 6.501 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.034 9.452 6.744 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.338 9.442 7.936 1.00 0.00 H new ATOM 954 N MET A 65 -1.808 15.922 7.461 1.00 0.00 N ATOM 955 CA MET A 65 -1.449 17.180 8.104 1.00 0.00 C ATOM 956 C MET A 65 -2.426 17.515 9.226 1.00 0.00 C ATOM 957 O MET A 65 -3.586 17.844 8.976 1.00 0.00 O ATOM 958 CB MET A 65 -1.427 18.314 7.076 1.00 0.00 C ATOM 959 CG MET A 65 -0.730 19.571 7.573 1.00 0.00 C ATOM 960 SD MET A 65 1.035 19.578 7.206 1.00 0.00 S ATOM 961 CE MET A 65 1.627 20.758 8.415 1.00 0.00 C ATOM 0 H MET A 65 -2.705 15.937 6.976 1.00 0.00 H new ATOM 0 HA MET A 65 -0.454 17.069 8.534 1.00 0.00 H new ATOM 0 HB2 MET A 65 -0.928 17.965 6.172 1.00 0.00 H new ATOM 0 HB3 MET A 65 -2.452 18.562 6.799 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.195 20.444 7.116 1.00 0.00 H new ATOM 0 HG3 MET A 65 -0.874 19.660 8.650 1.00 0.00 H new ATOM 0 HE1 MET A 65 2.704 20.885 8.303 1.00 0.00 H new ATOM 0 HE2 MET A 65 1.131 21.716 8.262 1.00 0.00 H new ATOM 0 HE3 MET A 65 1.408 20.392 9.418 1.00 0.00 H new ATOM 971 N HIS A 66 -1.949 17.430 10.464 1.00 0.00 N ATOM 972 CA HIS A 66 -2.782 17.723 11.626 1.00 0.00 C ATOM 973 C HIS A 66 -2.053 18.650 12.595 1.00 0.00 C ATOM 974 O HIS A 66 -0.829 18.608 12.707 1.00 0.00 O ATOM 975 CB HIS A 66 -3.176 16.429 12.338 1.00 0.00 C ATOM 976 CG HIS A 66 -4.047 16.647 13.537 1.00 0.00 C ATOM 977 ND1 HIS A 66 -5.421 16.741 13.462 1.00 0.00 N ATOM 978 CD2 HIS A 66 -3.733 16.787 14.846 1.00 0.00 C ATOM 979 CE1 HIS A 66 -5.914 16.932 14.672 1.00 0.00 C ATOM 980 NE2 HIS A 66 -4.910 16.963 15.530 1.00 0.00 N ATOM 0 H HIS A 66 -0.991 17.161 10.689 1.00 0.00 H new ATOM 0 HA HIS A 66 -3.685 18.225 11.278 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -3.697 15.780 11.634 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -2.272 15.904 12.646 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -2.741 16.764 15.273 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -6.960 17.044 14.918 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -4.996 17.096 16.538 1.00 0.00 H new ATOM 989 N ASN A 67 -2.816 19.486 13.292 1.00 0.00 N ATOM 990 CA ASN A 67 -2.243 20.424 14.251 1.00 0.00 C ATOM 991 C ASN A 67 -0.939 21.014 13.723 1.00 0.00 C ATOM 992 O ASN A 67 0.031 21.166 14.463 1.00 0.00 O ATOM 993 CB ASN A 67 -1.994 19.728 15.590 1.00 0.00 C ATOM 994 CG ASN A 67 -3.216 19.749 16.489 1.00 0.00 C ATOM 995 OD1 ASN A 67 -4.165 20.496 16.247 1.00 0.00 O ATOM 996 ND2 ASN A 67 -3.198 18.928 17.532 1.00 0.00 N ATOM 0 H ASN A 67 -3.832 19.533 13.211 1.00 0.00 H new ATOM 0 HA ASN A 67 -2.956 21.236 14.397 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -1.697 18.695 15.410 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -1.163 20.214 16.100 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -3.992 18.899 18.172 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -2.390 18.327 17.694 1.00 0.00 H new ATOM 1003 N GLY A 68 -0.925 21.344 12.434 1.00 0.00 N ATOM 1004 CA GLY A 68 0.264 21.914 11.828 1.00 0.00 C ATOM 1005 C GLY A 68 1.533 21.207 12.264 1.00 0.00 C ATOM 1006 O GLY A 68 2.542 21.850 12.556 1.00 0.00 O ATOM 0 H GLY A 68 -1.715 21.227 11.800 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.176 21.860 10.743 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.331 22.970 12.091 1.00 0.00 H new ATOM 1010 N THR A 69 1.483 19.880 12.310 1.00 0.00 N ATOM 1011 CA THR A 69 2.636 19.086 12.717 1.00 0.00 C ATOM 1012 C THR A 69 2.767 17.830 11.863 1.00 0.00 C ATOM 1013 O THR A 69 1.769 17.269 11.410 1.00 0.00 O ATOM 1014 CB THR A 69 2.543 18.679 14.199 1.00 0.00 C ATOM 1015 OG1 THR A 69 3.738 17.997 14.596 1.00 0.00 O ATOM 1016 CG2 THR A 69 1.338 17.783 14.440 1.00 0.00 C ATOM 0 H THR A 69 0.657 19.332 12.071 1.00 0.00 H new ATOM 0 HA THR A 69 3.517 19.712 12.575 1.00 0.00 H new ATOM 0 HB THR A 69 2.427 19.585 14.795 1.00 0.00 H new ATOM 0 HG1 THR A 69 3.671 17.743 15.540 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.294 17.509 15.494 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.428 18.316 14.165 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.428 16.881 13.834 1.00 0.00 H new ATOM 1024 N HIS A 70 4.003 17.392 11.648 1.00 0.00 N ATOM 1025 CA HIS A 70 4.264 16.198 10.850 1.00 0.00 C ATOM 1026 C HIS A 70 3.944 14.934 11.642 1.00 0.00 C ATOM 1027 O HIS A 70 4.624 14.611 12.616 1.00 0.00 O ATOM 1028 CB HIS A 70 5.723 16.174 10.394 1.00 0.00 C ATOM 1029 CG HIS A 70 6.691 16.588 11.459 1.00 0.00 C ATOM 1030 ND1 HIS A 70 7.012 15.788 12.536 1.00 0.00 N ATOM 1031 CD2 HIS A 70 7.412 17.724 11.608 1.00 0.00 C ATOM 1032 CE1 HIS A 70 7.886 16.415 13.302 1.00 0.00 C ATOM 1033 NE2 HIS A 70 8.145 17.591 12.761 1.00 0.00 N ATOM 0 H HIS A 70 4.840 17.845 12.015 1.00 0.00 H new ATOM 0 HA HIS A 70 3.618 16.228 9.973 1.00 0.00 H new ATOM 0 HB2 HIS A 70 5.973 15.168 10.058 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.837 16.834 9.534 1.00 0.00 H new ATOM 0 HD1 HIS A 70 6.633 14.858 12.713 1.00 0.00 H new ATOM 0 HD2 HIS A 70 7.411 18.576 10.944 1.00 0.00 H new ATOM 0 HE1 HIS A 70 8.316 16.031 14.215 1.00 0.00 H new ATOM 1042 N VAL A 71 2.905 14.223 11.218 1.00 0.00 N ATOM 1043 CA VAL A 71 2.495 12.994 11.886 1.00 0.00 C ATOM 1044 C VAL A 71 2.401 11.836 10.899 1.00 0.00 C ATOM 1045 O VAL A 71 1.925 12.001 9.776 1.00 0.00 O ATOM 1046 CB VAL A 71 1.137 13.165 12.593 1.00 0.00 C ATOM 1047 CG1 VAL A 71 0.070 13.599 11.600 1.00 0.00 C ATOM 1048 CG2 VAL A 71 0.734 11.874 13.290 1.00 0.00 C ATOM 0 H VAL A 71 2.331 14.477 10.414 1.00 0.00 H new ATOM 0 HA VAL A 71 3.258 12.770 12.632 1.00 0.00 H new ATOM 0 HB VAL A 71 1.235 13.944 13.349 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.883 13.715 12.117 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.357 14.550 11.150 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.030 12.844 10.820 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.228 12.012 13.784 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.652 11.074 12.555 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.488 11.610 14.031 1.00 0.00 H new ATOM 1058 N VAL A 72 2.856 10.663 11.327 1.00 0.00 N ATOM 1059 CA VAL A 72 2.822 9.476 10.481 1.00 0.00 C ATOM 1060 C VAL A 72 2.147 8.310 11.196 1.00 0.00 C ATOM 1061 O VAL A 72 2.598 7.874 12.255 1.00 0.00 O ATOM 1062 CB VAL A 72 4.239 9.050 10.053 1.00 0.00 C ATOM 1063 CG1 VAL A 72 4.178 7.839 9.135 1.00 0.00 C ATOM 1064 CG2 VAL A 72 4.961 10.205 9.377 1.00 0.00 C ATOM 0 H VAL A 72 3.252 10.509 12.254 1.00 0.00 H new ATOM 0 HA VAL A 72 2.246 9.737 9.593 1.00 0.00 H new ATOM 0 HB VAL A 72 4.801 8.772 10.945 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.188 7.553 8.843 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.703 7.009 9.658 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.599 8.086 8.245 1.00 0.00 H new ATOM 0 HG21 VAL A 72 5.960 9.886 9.081 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.403 10.516 8.494 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.038 11.042 10.071 1.00 0.00 H new ATOM 1074 N ARG A 73 1.064 7.811 10.611 1.00 0.00 N ATOM 1075 CA ARG A 73 0.326 6.697 11.192 1.00 0.00 C ATOM 1076 C ARG A 73 0.511 5.430 10.362 1.00 0.00 C ATOM 1077 O ARG A 73 0.613 5.487 9.137 1.00 0.00 O ATOM 1078 CB ARG A 73 -1.162 7.040 11.294 1.00 0.00 C ATOM 1079 CG ARG A 73 -1.867 6.357 12.455 1.00 0.00 C ATOM 1080 CD ARG A 73 -2.381 4.981 12.062 1.00 0.00 C ATOM 1081 NE ARG A 73 -2.481 4.085 13.211 1.00 0.00 N ATOM 1082 CZ ARG A 73 -3.528 4.053 14.028 1.00 0.00 C ATOM 1083 NH1 ARG A 73 -4.559 4.860 13.822 1.00 0.00 N ATOM 1084 NH2 ARG A 73 -3.546 3.210 15.052 1.00 0.00 N ATOM 0 H ARG A 73 0.678 8.161 9.734 1.00 0.00 H new ATOM 0 HA ARG A 73 0.719 6.516 12.192 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -1.271 8.120 11.398 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.656 6.758 10.364 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.179 6.263 13.296 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -2.699 6.975 12.791 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -3.360 5.080 11.593 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -1.715 4.544 11.318 1.00 0.00 H new ATOM 0 HE ARG A 73 -1.705 3.449 13.396 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -4.550 5.508 13.034 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -5.361 4.833 14.451 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.756 2.586 15.213 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -4.350 3.186 15.679 1.00 0.00 H new ATOM 1098 N HIS A 74 0.554 4.286 11.039 1.00 0.00 N ATOM 1099 CA HIS A 74 0.727 3.005 10.364 1.00 0.00 C ATOM 1100 C HIS A 74 -0.354 2.016 10.791 1.00 0.00 C ATOM 1101 O HIS A 74 -0.320 1.486 11.901 1.00 0.00 O ATOM 1102 CB HIS A 74 2.110 2.427 10.666 1.00 0.00 C ATOM 1103 CG HIS A 74 2.247 1.901 12.061 1.00 0.00 C ATOM 1104 ND1 HIS A 74 2.706 0.631 12.343 1.00 0.00 N ATOM 1105 CD2 HIS A 74 1.985 2.479 13.256 1.00 0.00 C ATOM 1106 CE1 HIS A 74 2.718 0.450 13.653 1.00 0.00 C ATOM 1107 NE2 HIS A 74 2.287 1.558 14.229 1.00 0.00 N ATOM 0 H HIS A 74 0.471 4.221 12.054 1.00 0.00 H new ATOM 0 HA HIS A 74 0.639 3.174 9.291 1.00 0.00 H new ATOM 0 HB2 HIS A 74 2.321 1.623 9.961 1.00 0.00 H new ATOM 0 HB3 HIS A 74 2.861 3.199 10.502 1.00 0.00 H new ATOM 0 HD2 HIS A 74 1.608 3.479 13.415 1.00 0.00 H new ATOM 0 HE1 HIS A 74 3.027 -0.450 14.164 1.00 0.00 H new ATOM 0 HE2 HIS A 74 2.194 1.706 15.234 1.00 0.00 H new ATOM 1116 N TYR A 75 -1.311 1.774 9.902 1.00 0.00 N ATOM 1117 CA TYR A 75 -2.404 0.850 10.189 1.00 0.00 C ATOM 1118 C TYR A 75 -1.968 -0.595 9.967 1.00 0.00 C ATOM 1119 O TYR A 75 -1.238 -0.898 9.023 1.00 0.00 O ATOM 1120 CB TYR A 75 -3.613 1.171 9.308 1.00 0.00 C ATOM 1121 CG TYR A 75 -4.223 2.525 9.588 1.00 0.00 C ATOM 1122 CD1 TYR A 75 -5.133 2.699 10.624 1.00 0.00 C ATOM 1123 CD2 TYR A 75 -3.892 3.632 8.816 1.00 0.00 C ATOM 1124 CE1 TYR A 75 -5.694 3.934 10.883 1.00 0.00 C ATOM 1125 CE2 TYR A 75 -4.446 4.872 9.069 1.00 0.00 C ATOM 1126 CZ TYR A 75 -5.348 5.017 10.104 1.00 0.00 C ATOM 1127 OH TYR A 75 -5.903 6.251 10.358 1.00 0.00 O ATOM 0 H TYR A 75 -1.353 2.204 8.978 1.00 0.00 H new ATOM 0 HA TYR A 75 -2.683 0.969 11.236 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -3.311 1.127 8.261 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -4.372 0.403 9.453 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -5.406 1.853 11.237 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -3.189 3.521 8.004 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -6.400 4.051 11.692 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -4.175 5.723 8.461 1.00 0.00 H new ATOM 0 HH TYR A 75 -5.552 6.905 9.719 1.00 0.00 H new ATOM 1137 N LYS A 76 -2.422 -1.483 10.844 1.00 0.00 N ATOM 1138 CA LYS A 76 -2.083 -2.898 10.746 1.00 0.00 C ATOM 1139 C LYS A 76 -3.251 -3.699 10.180 1.00 0.00 C ATOM 1140 O LYS A 76 -4.396 -3.247 10.203 1.00 0.00 O ATOM 1141 CB LYS A 76 -1.692 -3.446 12.120 1.00 0.00 C ATOM 1142 CG LYS A 76 -0.239 -3.198 12.483 1.00 0.00 C ATOM 1143 CD LYS A 76 0.071 -3.661 13.897 1.00 0.00 C ATOM 1144 CE LYS A 76 -0.455 -2.680 14.933 1.00 0.00 C ATOM 1145 NZ LYS A 76 -0.236 -3.171 16.322 1.00 0.00 N ATOM 0 H LYS A 76 -3.026 -1.248 11.631 1.00 0.00 H new ATOM 0 HA LYS A 76 -1.235 -2.997 10.068 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -2.330 -2.991 12.878 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.885 -4.518 12.142 1.00 0.00 H new ATOM 0 HG2 LYS A 76 0.407 -3.721 11.778 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.017 -2.135 12.391 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.373 -4.642 14.065 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.149 -3.774 14.016 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.040 -1.717 14.806 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.520 -2.515 14.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.608 -2.475 16.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.729 -4.077 16.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.782 -3.304 16.487 1.00 0.00 H new ATOM 1159 N VAL A 77 -2.954 -4.892 9.675 1.00 0.00 N ATOM 1160 CA VAL A 77 -3.980 -5.759 9.107 1.00 0.00 C ATOM 1161 C VAL A 77 -3.891 -7.168 9.682 1.00 0.00 C ATOM 1162 O VAL A 77 -2.811 -7.755 9.751 1.00 0.00 O ATOM 1163 CB VAL A 77 -3.865 -5.834 7.573 1.00 0.00 C ATOM 1164 CG1 VAL A 77 -4.816 -6.882 7.016 1.00 0.00 C ATOM 1165 CG2 VAL A 77 -4.136 -4.472 6.951 1.00 0.00 C ATOM 0 H VAL A 77 -2.011 -5.280 9.648 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.943 -5.323 9.371 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.847 -6.129 7.317 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.720 -6.920 5.931 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.570 -7.857 7.437 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.841 -6.621 7.281 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.050 -4.544 5.867 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.142 -4.145 7.215 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.410 -3.750 7.325 1.00 0.00 H new ATOM 1175 N LYS A 78 -5.034 -7.706 10.092 1.00 0.00 N ATOM 1176 CA LYS A 78 -5.087 -9.049 10.660 1.00 0.00 C ATOM 1177 C LYS A 78 -5.571 -10.059 9.625 1.00 0.00 C ATOM 1178 O LYS A 78 -6.327 -9.716 8.716 1.00 0.00 O ATOM 1179 CB LYS A 78 -6.009 -9.072 11.881 1.00 0.00 C ATOM 1180 CG LYS A 78 -5.901 -10.346 12.701 1.00 0.00 C ATOM 1181 CD LYS A 78 -7.025 -10.451 13.719 1.00 0.00 C ATOM 1182 CE LYS A 78 -7.066 -11.829 14.363 1.00 0.00 C ATOM 1183 NZ LYS A 78 -8.144 -11.931 15.385 1.00 0.00 N ATOM 0 H LYS A 78 -5.937 -7.233 10.042 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.079 -9.326 10.968 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.776 -8.219 12.518 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.040 -8.950 11.550 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -5.928 -11.210 12.037 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -4.940 -10.369 13.215 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.892 -9.692 14.490 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.979 -10.247 13.232 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.222 -12.585 13.594 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.103 -12.042 14.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.139 -12.884 15.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.981 -11.227 16.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.065 -11.753 14.937 1.00 0.00 H new ATOM 1197 N ARG A 79 -5.133 -11.305 9.771 1.00 0.00 N ATOM 1198 CA ARG A 79 -5.523 -12.365 8.848 1.00 0.00 C ATOM 1199 C ARG A 79 -6.696 -13.165 9.404 1.00 0.00 C ATOM 1200 O ARG A 79 -6.513 -14.066 10.222 1.00 0.00 O ATOM 1201 CB ARG A 79 -4.340 -13.295 8.577 1.00 0.00 C ATOM 1202 CG ARG A 79 -4.366 -13.927 7.195 1.00 0.00 C ATOM 1203 CD ARG A 79 -5.432 -15.007 7.097 1.00 0.00 C ATOM 1204 NE ARG A 79 -5.010 -16.252 7.731 1.00 0.00 N ATOM 1205 CZ ARG A 79 -5.523 -17.441 7.431 1.00 0.00 C ATOM 1206 NH1 ARG A 79 -6.472 -17.543 6.510 1.00 0.00 N ATOM 1207 NH2 ARG A 79 -5.086 -18.529 8.051 1.00 0.00 N ATOM 0 H ARG A 79 -4.508 -11.606 10.519 1.00 0.00 H new ATOM 0 HA ARG A 79 -5.833 -11.901 7.912 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -3.413 -12.733 8.693 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -4.330 -14.085 9.328 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -4.555 -13.158 6.446 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -3.389 -14.357 6.972 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -6.350 -14.654 7.567 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -5.663 -15.194 6.048 1.00 0.00 H new ATOM 0 HE ARG A 79 -4.281 -16.207 8.443 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -6.809 -16.708 6.031 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -6.864 -18.456 6.281 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -4.356 -18.454 8.759 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -5.480 -19.441 7.820 1.00 0.00 H new ATOM 1221 N GLU A 80 -7.901 -12.830 8.956 1.00 0.00 N ATOM 1222 CA GLU A 80 -9.105 -13.517 9.410 1.00 0.00 C ATOM 1223 C GLU A 80 -9.745 -14.306 8.271 1.00 0.00 C ATOM 1224 O GLU A 80 -10.648 -13.817 7.594 1.00 0.00 O ATOM 1225 CB GLU A 80 -10.110 -12.513 9.977 1.00 0.00 C ATOM 1226 CG GLU A 80 -11.032 -13.102 11.031 1.00 0.00 C ATOM 1227 CD GLU A 80 -10.398 -13.136 12.407 1.00 0.00 C ATOM 1228 OE1 GLU A 80 -9.286 -13.692 12.535 1.00 0.00 O ATOM 1229 OE2 GLU A 80 -11.013 -12.609 13.358 1.00 0.00 O ATOM 0 H GLU A 80 -8.070 -12.087 8.279 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.818 -14.216 10.196 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.567 -11.673 10.410 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.713 -12.115 9.161 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -11.951 -12.517 11.073 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -11.312 -14.114 10.739 1.00 0.00 H new ATOM 1236 N GLY A 81 -9.267 -15.529 8.064 1.00 0.00 N ATOM 1237 CA GLY A 81 -9.803 -16.366 7.006 1.00 0.00 C ATOM 1238 C GLY A 81 -9.390 -15.892 5.627 1.00 0.00 C ATOM 1239 O GLY A 81 -8.348 -15.261 5.451 1.00 0.00 O ATOM 0 H GLY A 81 -8.518 -15.955 8.610 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -9.464 -17.392 7.151 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.891 -16.378 7.072 1.00 0.00 H new ATOM 1243 N PRO A 82 -10.218 -16.199 4.618 1.00 0.00 N ATOM 1244 CA PRO A 82 -9.954 -15.811 3.230 1.00 0.00 C ATOM 1245 C PRO A 82 -10.089 -14.308 3.013 1.00 0.00 C ATOM 1246 O PRO A 82 -9.839 -13.803 1.918 1.00 0.00 O ATOM 1247 CB PRO A 82 -11.027 -16.565 2.440 1.00 0.00 C ATOM 1248 CG PRO A 82 -12.134 -16.778 3.414 1.00 0.00 C ATOM 1249 CD PRO A 82 -11.478 -16.950 4.756 1.00 0.00 C ATOM 0 HA PRO A 82 -8.935 -16.051 2.926 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -11.363 -15.988 1.578 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -10.646 -17.513 2.060 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -12.817 -15.929 3.420 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -12.721 -17.658 3.151 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -12.097 -16.552 5.560 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -11.297 -18.001 4.983 1.00 0.00 H new ATOM 1257 N LYS A 83 -10.487 -13.596 4.063 1.00 0.00 N ATOM 1258 CA LYS A 83 -10.654 -12.150 3.987 1.00 0.00 C ATOM 1259 C LYS A 83 -9.765 -11.446 5.008 1.00 0.00 C ATOM 1260 O LYS A 83 -9.225 -12.078 5.916 1.00 0.00 O ATOM 1261 CB LYS A 83 -12.119 -11.773 4.224 1.00 0.00 C ATOM 1262 CG LYS A 83 -12.717 -12.408 5.467 1.00 0.00 C ATOM 1263 CD LYS A 83 -12.362 -11.626 6.721 1.00 0.00 C ATOM 1264 CE LYS A 83 -13.228 -12.040 7.900 1.00 0.00 C ATOM 1265 NZ LYS A 83 -14.557 -11.367 7.875 1.00 0.00 N ATOM 0 H LYS A 83 -10.700 -13.998 4.976 1.00 0.00 H new ATOM 0 HA LYS A 83 -10.358 -11.826 2.989 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -12.198 -10.689 4.306 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -12.707 -12.070 3.356 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -13.801 -12.460 5.364 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -12.357 -13.432 5.562 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -11.312 -11.786 6.966 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.487 -10.560 6.533 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -13.368 -13.121 7.886 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -12.715 -11.797 8.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -15.149 -11.738 8.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -14.430 -10.342 7.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -15.022 -11.550 6.963 1.00 0.00 H new ATOM 1279 N TYR A 84 -9.619 -10.135 4.853 1.00 0.00 N ATOM 1280 CA TYR A 84 -8.794 -9.345 5.760 1.00 0.00 C ATOM 1281 C TYR A 84 -9.637 -8.310 6.500 1.00 0.00 C ATOM 1282 O TYR A 84 -10.513 -7.674 5.915 1.00 0.00 O ATOM 1283 CB TYR A 84 -7.672 -8.651 4.990 1.00 0.00 C ATOM 1284 CG TYR A 84 -7.047 -9.516 3.919 1.00 0.00 C ATOM 1285 CD1 TYR A 84 -6.733 -10.847 4.169 1.00 0.00 C ATOM 1286 CD2 TYR A 84 -6.770 -9.003 2.657 1.00 0.00 C ATOM 1287 CE1 TYR A 84 -6.161 -11.641 3.193 1.00 0.00 C ATOM 1288 CE2 TYR A 84 -6.200 -9.792 1.676 1.00 0.00 C ATOM 1289 CZ TYR A 84 -5.897 -11.109 1.949 1.00 0.00 C ATOM 1290 OH TYR A 84 -5.328 -11.896 0.974 1.00 0.00 O ATOM 0 H TYR A 84 -10.061 -9.597 4.108 1.00 0.00 H new ATOM 0 HA TYR A 84 -8.355 -10.021 6.494 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -8.065 -7.745 4.529 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -6.898 -8.341 5.693 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -6.939 -11.268 5.142 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -7.004 -7.971 2.440 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -5.922 -12.673 3.404 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -5.993 -9.379 0.700 1.00 0.00 H new ATOM 0 HH TYR A 84 -5.209 -11.369 0.156 1.00 0.00 H new ATOM 1300 N VAL A 85 -9.362 -8.144 7.790 1.00 0.00 N ATOM 1301 CA VAL A 85 -10.091 -7.185 8.610 1.00 0.00 C ATOM 1302 C VAL A 85 -9.212 -5.995 8.978 1.00 0.00 C ATOM 1303 O VAL A 85 -8.058 -6.164 9.374 1.00 0.00 O ATOM 1304 CB VAL A 85 -10.620 -7.838 9.901 1.00 0.00 C ATOM 1305 CG1 VAL A 85 -11.633 -8.925 9.574 1.00 0.00 C ATOM 1306 CG2 VAL A 85 -9.470 -8.398 10.723 1.00 0.00 C ATOM 0 H VAL A 85 -8.639 -8.662 8.289 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.936 -6.838 8.015 1.00 0.00 H new ATOM 0 HB VAL A 85 -11.123 -7.075 10.495 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -11.995 -9.375 10.498 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -12.471 -8.490 9.029 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -11.160 -9.691 8.959 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -9.861 -8.856 11.632 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -8.937 -9.148 10.139 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -8.786 -7.592 10.988 1.00 0.00 H new ATOM 1316 N ILE A 86 -9.765 -4.795 8.845 1.00 0.00 N ATOM 1317 CA ILE A 86 -9.030 -3.577 9.165 1.00 0.00 C ATOM 1318 C ILE A 86 -9.017 -3.322 10.668 1.00 0.00 C ATOM 1319 O ILE A 86 -9.913 -3.759 11.390 1.00 0.00 O ATOM 1320 CB ILE A 86 -9.633 -2.352 8.453 1.00 0.00 C ATOM 1321 CG1 ILE A 86 -9.767 -2.620 6.953 1.00 0.00 C ATOM 1322 CG2 ILE A 86 -8.778 -1.119 8.703 1.00 0.00 C ATOM 1323 CD1 ILE A 86 -10.499 -1.528 6.206 1.00 0.00 C ATOM 0 H ILE A 86 -10.719 -4.639 8.518 1.00 0.00 H new ATOM 0 HA ILE A 86 -8.008 -3.724 8.815 1.00 0.00 H new ATOM 0 HB ILE A 86 -10.628 -2.168 8.859 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -8.772 -2.739 6.523 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.292 -3.564 6.807 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -9.218 -0.262 8.193 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -8.731 -0.920 9.774 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -7.771 -1.291 8.322 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -10.556 -1.786 5.148 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -11.506 -1.424 6.609 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -9.963 -0.586 6.321 1.00 0.00 H new ATOM 1335 N ASP A 87 -7.996 -2.611 11.134 1.00 0.00 N ATOM 1336 CA ASP A 87 -7.867 -2.295 12.552 1.00 0.00 C ATOM 1337 C ASP A 87 -8.597 -0.998 12.887 1.00 0.00 C ATOM 1338 O ASP A 87 -7.977 -0.008 13.277 1.00 0.00 O ATOM 1339 CB ASP A 87 -6.392 -2.180 12.938 1.00 0.00 C ATOM 1340 CG ASP A 87 -5.729 -3.532 13.104 1.00 0.00 C ATOM 1341 OD1 ASP A 87 -5.528 -4.224 12.083 1.00 0.00 O ATOM 1342 OD2 ASP A 87 -5.412 -3.902 14.254 1.00 0.00 O ATOM 0 H ASP A 87 -7.245 -2.242 10.550 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.321 -3.105 13.123 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.863 -1.611 12.174 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.306 -1.620 13.869 1.00 0.00 H new ATOM 1347 N VAL A 88 -9.917 -1.010 12.732 1.00 0.00 N ATOM 1348 CA VAL A 88 -10.731 0.164 13.019 1.00 0.00 C ATOM 1349 C VAL A 88 -11.933 -0.198 13.885 1.00 0.00 C ATOM 1350 O VAL A 88 -12.123 -1.359 14.245 1.00 0.00 O ATOM 1351 CB VAL A 88 -11.229 0.833 11.724 1.00 0.00 C ATOM 1352 CG1 VAL A 88 -10.059 1.387 10.926 1.00 0.00 C ATOM 1353 CG2 VAL A 88 -12.032 -0.154 10.891 1.00 0.00 C ATOM 0 H VAL A 88 -10.445 -1.821 12.409 1.00 0.00 H new ATOM 0 HA VAL A 88 -10.095 0.865 13.560 1.00 0.00 H new ATOM 0 HB VAL A 88 -11.882 1.664 11.992 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -10.430 1.856 10.015 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -9.528 2.127 11.525 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -9.379 0.576 10.666 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -12.376 0.335 9.980 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -11.404 -1.006 10.631 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -12.892 -0.499 11.465 1.00 0.00 H new ATOM 1363 N GLU A 89 -12.741 0.804 14.216 1.00 0.00 N ATOM 1364 CA GLU A 89 -13.925 0.591 15.040 1.00 0.00 C ATOM 1365 C GLU A 89 -14.551 -0.771 14.749 1.00 0.00 C ATOM 1366 O GLU A 89 -14.698 -1.602 15.645 1.00 0.00 O ATOM 1367 CB GLU A 89 -14.952 1.699 14.796 1.00 0.00 C ATOM 1368 CG GLU A 89 -16.367 1.315 15.190 1.00 0.00 C ATOM 1369 CD GLU A 89 -17.236 2.521 15.490 1.00 0.00 C ATOM 1370 OE1 GLU A 89 -17.136 3.061 16.612 1.00 0.00 O ATOM 1371 OE2 GLU A 89 -18.017 2.924 14.602 1.00 0.00 O ATOM 0 H GLU A 89 -12.597 1.771 13.926 1.00 0.00 H new ATOM 0 HA GLU A 89 -13.618 0.616 16.085 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -14.656 2.586 15.356 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -14.939 1.969 13.740 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -16.820 0.736 14.385 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -16.333 0.669 16.067 1.00 0.00 H new ATOM 1378 N GLN A 90 -14.920 -0.990 13.491 1.00 0.00 N ATOM 1379 CA GLN A 90 -15.531 -2.248 13.082 1.00 0.00 C ATOM 1380 C GLN A 90 -14.624 -3.007 12.120 1.00 0.00 C ATOM 1381 O GLN A 90 -13.947 -2.422 11.275 1.00 0.00 O ATOM 1382 CB GLN A 90 -16.889 -1.990 12.426 1.00 0.00 C ATOM 1383 CG GLN A 90 -16.788 -1.365 11.044 1.00 0.00 C ATOM 1384 CD GLN A 90 -18.126 -0.881 10.523 1.00 0.00 C ATOM 1385 OE1 GLN A 90 -18.674 0.109 11.009 1.00 0.00 O ATOM 1386 NE2 GLN A 90 -18.662 -1.579 9.528 1.00 0.00 N ATOM 0 H GLN A 90 -14.806 -0.312 12.738 1.00 0.00 H new ATOM 0 HA GLN A 90 -15.676 -2.859 13.973 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -17.432 -2.932 12.351 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -17.476 -1.335 13.070 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -16.091 -0.527 11.078 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -16.374 -2.095 10.349 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -18.174 -2.393 9.155 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -19.562 -1.301 9.137 1.00 0.00 H new ATOM 1395 N PRO A 91 -14.609 -4.342 12.249 1.00 0.00 N ATOM 1396 CA PRO A 91 -13.790 -5.211 11.398 1.00 0.00 C ATOM 1397 C PRO A 91 -14.293 -5.257 9.960 1.00 0.00 C ATOM 1398 O PRO A 91 -15.050 -6.153 9.586 1.00 0.00 O ATOM 1399 CB PRO A 91 -13.927 -6.586 12.058 1.00 0.00 C ATOM 1400 CG PRO A 91 -15.230 -6.531 12.779 1.00 0.00 C ATOM 1401 CD PRO A 91 -15.393 -5.107 13.234 1.00 0.00 C ATOM 0 HA PRO A 91 -12.761 -4.858 11.327 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -13.918 -7.384 11.316 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -13.103 -6.780 12.744 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -16.050 -6.828 12.125 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -15.235 -7.215 13.628 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -16.440 -4.804 13.237 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -15.016 -4.963 14.247 1.00 0.00 H new ATOM 1409 N PHE A 92 -13.868 -4.287 9.158 1.00 0.00 N ATOM 1410 CA PHE A 92 -14.278 -4.218 7.760 1.00 0.00 C ATOM 1411 C PHE A 92 -13.714 -5.394 6.969 1.00 0.00 C ATOM 1412 O PHE A 92 -12.521 -5.442 6.672 1.00 0.00 O ATOM 1413 CB PHE A 92 -13.813 -2.900 7.136 1.00 0.00 C ATOM 1414 CG PHE A 92 -13.852 -2.901 5.634 1.00 0.00 C ATOM 1415 CD1 PHE A 92 -15.019 -2.582 4.958 1.00 0.00 C ATOM 1416 CD2 PHE A 92 -12.722 -3.222 4.898 1.00 0.00 C ATOM 1417 CE1 PHE A 92 -15.058 -2.581 3.577 1.00 0.00 C ATOM 1418 CE2 PHE A 92 -12.756 -3.224 3.517 1.00 0.00 C ATOM 1419 CZ PHE A 92 -13.926 -2.904 2.855 1.00 0.00 C ATOM 0 H PHE A 92 -13.240 -3.538 9.451 1.00 0.00 H new ATOM 0 HA PHE A 92 -15.366 -4.267 7.723 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -14.441 -2.090 7.507 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -12.795 -2.691 7.465 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -15.908 -2.331 5.517 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -11.805 -3.473 5.410 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -15.973 -2.328 3.062 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -11.869 -3.476 2.955 1.00 0.00 H new ATOM 0 HZ PHE A 92 -13.955 -2.907 1.775 1.00 0.00 H new ATOM 1429 N SER A 93 -14.582 -6.342 6.631 1.00 0.00 N ATOM 1430 CA SER A 93 -14.172 -7.522 5.878 1.00 0.00 C ATOM 1431 C SER A 93 -13.957 -7.180 4.407 1.00 0.00 C ATOM 1432 O SER A 93 -14.681 -6.363 3.836 1.00 0.00 O ATOM 1433 CB SER A 93 -15.221 -8.627 6.009 1.00 0.00 C ATOM 1434 OG SER A 93 -16.359 -8.348 5.213 1.00 0.00 O ATOM 0 H SER A 93 -15.574 -6.316 6.867 1.00 0.00 H new ATOM 0 HA SER A 93 -13.228 -7.877 6.292 1.00 0.00 H new ATOM 0 HB2 SER A 93 -14.788 -9.581 5.708 1.00 0.00 H new ATOM 0 HB3 SER A 93 -15.519 -8.727 7.053 1.00 0.00 H new ATOM 0 HG SER A 93 -17.014 -9.070 5.313 1.00 0.00 H new ATOM 1440 N CYS A 94 -12.959 -7.811 3.799 1.00 0.00 N ATOM 1441 CA CYS A 94 -12.647 -7.574 2.394 1.00 0.00 C ATOM 1442 C CYS A 94 -12.144 -8.849 1.726 1.00 0.00 C ATOM 1443 O CYS A 94 -11.409 -9.632 2.329 1.00 0.00 O ATOM 1444 CB CYS A 94 -11.599 -6.467 2.261 1.00 0.00 C ATOM 1445 SG CYS A 94 -10.013 -6.857 3.036 1.00 0.00 S ATOM 0 H CYS A 94 -12.352 -8.491 4.257 1.00 0.00 H new ATOM 0 HA CYS A 94 -13.563 -7.259 1.893 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -11.434 -6.263 1.203 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -11.993 -5.553 2.705 1.00 0.00 H new ATOM 0 HG CYS A 94 -10.209 -7.208 4.272 1.00 0.00 H new ATOM 1451 N THR A 95 -12.546 -9.054 0.476 1.00 0.00 N ATOM 1452 CA THR A 95 -12.138 -10.237 -0.274 1.00 0.00 C ATOM 1453 C THR A 95 -10.639 -10.224 -0.548 1.00 0.00 C ATOM 1454 O THR A 95 -9.970 -11.250 -0.435 1.00 0.00 O ATOM 1455 CB THR A 95 -12.893 -10.340 -1.613 1.00 0.00 C ATOM 1456 OG1 THR A 95 -12.488 -11.521 -2.314 1.00 0.00 O ATOM 1457 CG2 THR A 95 -12.632 -9.116 -2.478 1.00 0.00 C ATOM 0 H THR A 95 -13.154 -8.417 -0.039 1.00 0.00 H new ATOM 0 HA THR A 95 -12.384 -11.103 0.341 1.00 0.00 H new ATOM 0 HB THR A 95 -13.961 -10.393 -1.399 1.00 0.00 H new ATOM 0 HG1 THR A 95 -12.973 -11.580 -3.163 1.00 0.00 H new ATOM 0 HG21 THR A 95 -13.176 -9.212 -3.418 1.00 0.00 H new ATOM 0 HG22 THR A 95 -12.969 -8.222 -1.954 1.00 0.00 H new ATOM 0 HG23 THR A 95 -11.564 -9.036 -2.683 1.00 0.00 H new ATOM 1465 N SER A 96 -10.118 -9.056 -0.909 1.00 0.00 N ATOM 1466 CA SER A 96 -8.697 -8.911 -1.203 1.00 0.00 C ATOM 1467 C SER A 96 -8.177 -7.562 -0.713 1.00 0.00 C ATOM 1468 O SER A 96 -8.937 -6.734 -0.211 1.00 0.00 O ATOM 1469 CB SER A 96 -8.447 -9.052 -2.705 1.00 0.00 C ATOM 1470 OG SER A 96 -8.818 -10.340 -3.164 1.00 0.00 O ATOM 0 H SER A 96 -10.658 -8.196 -1.005 1.00 0.00 H new ATOM 0 HA SER A 96 -8.160 -9.701 -0.678 1.00 0.00 H new ATOM 0 HB2 SER A 96 -9.014 -8.293 -3.244 1.00 0.00 H new ATOM 0 HB3 SER A 96 -7.393 -8.875 -2.920 1.00 0.00 H new ATOM 0 HG SER A 96 -8.173 -10.646 -3.836 1.00 0.00 H new ATOM 1476 N LEU A 97 -6.873 -7.349 -0.863 1.00 0.00 N ATOM 1477 CA LEU A 97 -6.248 -6.102 -0.438 1.00 0.00 C ATOM 1478 C LEU A 97 -6.821 -4.915 -1.207 1.00 0.00 C ATOM 1479 O LEU A 97 -7.137 -3.879 -0.622 1.00 0.00 O ATOM 1480 CB LEU A 97 -4.734 -6.172 -0.640 1.00 0.00 C ATOM 1481 CG LEU A 97 -3.926 -6.742 0.527 1.00 0.00 C ATOM 1482 CD1 LEU A 97 -2.560 -7.209 0.052 1.00 0.00 C ATOM 1483 CD2 LEU A 97 -3.784 -5.705 1.632 1.00 0.00 C ATOM 0 H LEU A 97 -6.229 -8.024 -1.276 1.00 0.00 H new ATOM 0 HA LEU A 97 -6.461 -5.961 0.622 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.533 -6.777 -1.524 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.369 -5.167 -0.852 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.461 -7.602 0.930 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.999 -7.611 0.896 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.683 -7.984 -0.705 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.016 -6.367 -0.376 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.207 -6.127 2.455 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.271 -4.826 1.242 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.772 -5.419 1.992 1.00 0.00 H new ATOM 1495 N ASP A 98 -6.954 -5.077 -2.519 1.00 0.00 N ATOM 1496 CA ASP A 98 -7.492 -4.020 -3.367 1.00 0.00 C ATOM 1497 C ASP A 98 -8.629 -3.284 -2.665 1.00 0.00 C ATOM 1498 O ASP A 98 -8.592 -2.063 -2.515 1.00 0.00 O ATOM 1499 CB ASP A 98 -7.987 -4.603 -4.692 1.00 0.00 C ATOM 1500 CG ASP A 98 -8.843 -3.625 -5.472 1.00 0.00 C ATOM 1501 OD1 ASP A 98 -10.022 -3.442 -5.102 1.00 0.00 O ATOM 1502 OD2 ASP A 98 -8.336 -3.042 -6.452 1.00 0.00 O ATOM 0 H ASP A 98 -6.697 -5.929 -3.018 1.00 0.00 H new ATOM 0 HA ASP A 98 -6.692 -3.307 -3.568 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -7.130 -4.896 -5.299 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -8.562 -5.508 -4.495 1.00 0.00 H new ATOM 1507 N ALA A 99 -9.639 -4.035 -2.239 1.00 0.00 N ATOM 1508 CA ALA A 99 -10.786 -3.455 -1.552 1.00 0.00 C ATOM 1509 C ALA A 99 -10.341 -2.554 -0.406 1.00 0.00 C ATOM 1510 O ALA A 99 -10.748 -1.395 -0.319 1.00 0.00 O ATOM 1511 CB ALA A 99 -11.704 -4.553 -1.037 1.00 0.00 C ATOM 0 H ALA A 99 -9.686 -5.047 -2.358 1.00 0.00 H new ATOM 0 HA ALA A 99 -11.336 -2.844 -2.268 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -12.556 -4.105 -0.526 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -12.058 -5.154 -1.875 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -11.157 -5.188 -0.341 1.00 0.00 H new ATOM 1517 N VAL A 100 -9.503 -3.094 0.474 1.00 0.00 N ATOM 1518 CA VAL A 100 -9.002 -2.338 1.616 1.00 0.00 C ATOM 1519 C VAL A 100 -8.646 -0.910 1.217 1.00 0.00 C ATOM 1520 O VAL A 100 -9.064 0.050 1.863 1.00 0.00 O ATOM 1521 CB VAL A 100 -7.762 -3.011 2.234 1.00 0.00 C ATOM 1522 CG1 VAL A 100 -7.233 -2.188 3.400 1.00 0.00 C ATOM 1523 CG2 VAL A 100 -8.091 -4.429 2.677 1.00 0.00 C ATOM 0 H VAL A 100 -9.157 -4.052 0.418 1.00 0.00 H new ATOM 0 HA VAL A 100 -9.802 -2.316 2.356 1.00 0.00 H new ATOM 0 HB VAL A 100 -6.982 -3.064 1.475 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -6.357 -2.679 3.824 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -6.957 -1.194 3.048 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -8.006 -2.101 4.164 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -7.204 -4.890 3.111 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -8.887 -4.402 3.421 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -8.418 -5.012 1.816 1.00 0.00 H new ATOM 1533 N VAL A 101 -7.870 -0.777 0.146 1.00 0.00 N ATOM 1534 CA VAL A 101 -7.458 0.534 -0.342 1.00 0.00 C ATOM 1535 C VAL A 101 -8.662 1.446 -0.548 1.00 0.00 C ATOM 1536 O VAL A 101 -8.677 2.586 -0.084 1.00 0.00 O ATOM 1537 CB VAL A 101 -6.680 0.421 -1.666 1.00 0.00 C ATOM 1538 CG1 VAL A 101 -6.271 1.799 -2.165 1.00 0.00 C ATOM 1539 CG2 VAL A 101 -5.463 -0.476 -1.494 1.00 0.00 C ATOM 0 H VAL A 101 -7.514 -1.561 -0.400 1.00 0.00 H new ATOM 0 HA VAL A 101 -6.806 0.964 0.418 1.00 0.00 H new ATOM 0 HB VAL A 101 -7.333 -0.030 -2.413 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -5.722 1.699 -3.101 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -7.162 2.406 -2.329 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.636 2.281 -1.422 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -4.925 -0.545 -2.439 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -4.806 -0.056 -0.732 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -5.785 -1.471 -1.187 1.00 0.00 H new ATOM 1549 N ASN A 102 -9.670 0.936 -1.249 1.00 0.00 N ATOM 1550 CA ASN A 102 -10.880 1.706 -1.517 1.00 0.00 C ATOM 1551 C ASN A 102 -11.574 2.100 -0.217 1.00 0.00 C ATOM 1552 O ASN A 102 -12.028 3.234 -0.061 1.00 0.00 O ATOM 1553 CB ASN A 102 -11.837 0.900 -2.396 1.00 0.00 C ATOM 1554 CG ASN A 102 -11.498 1.006 -3.870 1.00 0.00 C ATOM 1555 OD1 ASN A 102 -12.023 1.864 -4.579 1.00 0.00 O ATOM 1556 ND2 ASN A 102 -10.615 0.131 -4.338 1.00 0.00 N ATOM 0 H ASN A 102 -9.673 -0.006 -1.641 1.00 0.00 H new ATOM 0 HA ASN A 102 -10.593 2.616 -2.044 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -11.808 -0.147 -2.094 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -12.856 1.251 -2.235 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -10.347 0.153 -5.322 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -10.205 -0.563 -3.713 1.00 0.00 H new ATOM 1563 N TYR A 103 -11.653 1.155 0.714 1.00 0.00 N ATOM 1564 CA TYR A 103 -12.293 1.402 2.001 1.00 0.00 C ATOM 1565 C TYR A 103 -11.723 2.653 2.663 1.00 0.00 C ATOM 1566 O TYR A 103 -12.464 3.545 3.075 1.00 0.00 O ATOM 1567 CB TYR A 103 -12.113 0.196 2.923 1.00 0.00 C ATOM 1568 CG TYR A 103 -12.633 0.423 4.325 1.00 0.00 C ATOM 1569 CD1 TYR A 103 -11.813 0.950 5.315 1.00 0.00 C ATOM 1570 CD2 TYR A 103 -13.946 0.111 4.659 1.00 0.00 C ATOM 1571 CE1 TYR A 103 -12.284 1.158 6.597 1.00 0.00 C ATOM 1572 CE2 TYR A 103 -14.426 0.317 5.938 1.00 0.00 C ATOM 1573 CZ TYR A 103 -13.591 0.840 6.903 1.00 0.00 C ATOM 1574 OH TYR A 103 -14.064 1.047 8.180 1.00 0.00 O ATOM 0 H TYR A 103 -11.282 0.212 0.601 1.00 0.00 H new ATOM 0 HA TYR A 103 -13.357 1.560 1.824 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -12.626 -0.662 2.489 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -11.054 -0.057 2.974 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -10.790 1.201 5.078 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -14.602 -0.299 3.906 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -11.633 1.567 7.355 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -15.449 0.070 6.181 1.00 0.00 H new ATOM 0 HH TYR A 103 -15.004 0.773 8.229 1.00 0.00 H new ATOM 1584 N PHE A 104 -10.399 2.711 2.760 1.00 0.00 N ATOM 1585 CA PHE A 104 -9.726 3.851 3.372 1.00 0.00 C ATOM 1586 C PHE A 104 -10.012 5.133 2.595 1.00 0.00 C ATOM 1587 O PHE A 104 -10.491 6.118 3.156 1.00 0.00 O ATOM 1588 CB PHE A 104 -8.217 3.606 3.434 1.00 0.00 C ATOM 1589 CG PHE A 104 -7.808 2.656 4.523 1.00 0.00 C ATOM 1590 CD1 PHE A 104 -7.955 3.006 5.857 1.00 0.00 C ATOM 1591 CD2 PHE A 104 -7.276 1.415 4.215 1.00 0.00 C ATOM 1592 CE1 PHE A 104 -7.581 2.134 6.861 1.00 0.00 C ATOM 1593 CE2 PHE A 104 -6.900 0.539 5.216 1.00 0.00 C ATOM 1594 CZ PHE A 104 -7.051 0.899 6.541 1.00 0.00 C ATOM 0 H PHE A 104 -9.771 1.982 2.423 1.00 0.00 H new ATOM 0 HA PHE A 104 -10.111 3.967 4.385 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -7.881 3.212 2.475 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -7.708 4.558 3.584 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -8.366 3.971 6.114 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -7.154 1.128 3.181 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -7.703 2.418 7.896 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -6.488 -0.427 4.962 1.00 0.00 H new ATOM 0 HZ PHE A 104 -6.756 0.217 7.325 1.00 0.00 H new ATOM 1604 N VAL A 105 -9.716 5.111 1.299 1.00 0.00 N ATOM 1605 CA VAL A 105 -9.942 6.270 0.444 1.00 0.00 C ATOM 1606 C VAL A 105 -11.249 6.969 0.800 1.00 0.00 C ATOM 1607 O VAL A 105 -11.288 8.190 0.962 1.00 0.00 O ATOM 1608 CB VAL A 105 -9.975 5.872 -1.044 1.00 0.00 C ATOM 1609 CG1 VAL A 105 -10.313 7.075 -1.911 1.00 0.00 C ATOM 1610 CG2 VAL A 105 -8.647 5.260 -1.460 1.00 0.00 C ATOM 0 H VAL A 105 -9.319 4.303 0.819 1.00 0.00 H new ATOM 0 HA VAL A 105 -9.110 6.954 0.612 1.00 0.00 H new ATOM 0 HB VAL A 105 -10.754 5.123 -1.185 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -10.332 6.775 -2.959 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -11.291 7.465 -1.628 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -9.559 7.849 -1.769 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -8.688 4.985 -2.514 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -7.848 5.985 -1.305 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -8.452 4.371 -0.860 1.00 0.00 H new ATOM 1620 N SER A 106 -12.318 6.189 0.922 1.00 0.00 N ATOM 1621 CA SER A 106 -13.629 6.733 1.257 1.00 0.00 C ATOM 1622 C SER A 106 -13.713 7.072 2.742 1.00 0.00 C ATOM 1623 O SER A 106 -14.045 8.196 3.117 1.00 0.00 O ATOM 1624 CB SER A 106 -14.729 5.737 0.885 1.00 0.00 C ATOM 1625 OG SER A 106 -15.986 6.155 1.388 1.00 0.00 O ATOM 0 H SER A 106 -12.302 5.177 0.794 1.00 0.00 H new ATOM 0 HA SER A 106 -13.772 7.650 0.685 1.00 0.00 H new ATOM 0 HB2 SER A 106 -14.782 5.637 -0.199 1.00 0.00 H new ATOM 0 HB3 SER A 106 -14.483 4.753 1.284 1.00 0.00 H new ATOM 0 HG SER A 106 -16.673 5.503 1.136 1.00 0.00 H new ATOM 1631 N HIS A 107 -13.410 6.089 3.585 1.00 0.00 N ATOM 1632 CA HIS A 107 -13.451 6.281 5.030 1.00 0.00 C ATOM 1633 C HIS A 107 -12.803 7.606 5.421 1.00 0.00 C ATOM 1634 O HIS A 107 -13.457 8.489 5.976 1.00 0.00 O ATOM 1635 CB HIS A 107 -12.745 5.125 5.739 1.00 0.00 C ATOM 1636 CG HIS A 107 -12.270 5.469 7.118 1.00 0.00 C ATOM 1637 ND1 HIS A 107 -13.076 5.387 8.233 1.00 0.00 N ATOM 1638 CD2 HIS A 107 -11.064 5.897 7.557 1.00 0.00 C ATOM 1639 CE1 HIS A 107 -12.386 5.750 9.300 1.00 0.00 C ATOM 1640 NE2 HIS A 107 -11.162 6.065 8.917 1.00 0.00 N ATOM 0 H HIS A 107 -13.134 5.152 3.292 1.00 0.00 H new ATOM 0 HA HIS A 107 -14.496 6.303 5.340 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -13.426 4.276 5.799 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -11.893 4.808 5.139 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -10.188 6.074 6.951 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -12.759 5.783 10.313 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -10.412 6.382 9.531 1.00 0.00 H new ATOM 1649 N THR A 108 -11.513 7.737 5.127 1.00 0.00 N ATOM 1650 CA THR A 108 -10.776 8.952 5.449 1.00 0.00 C ATOM 1651 C THR A 108 -11.557 10.195 5.037 1.00 0.00 C ATOM 1652 O THR A 108 -12.311 10.173 4.065 1.00 0.00 O ATOM 1653 CB THR A 108 -9.399 8.974 4.759 1.00 0.00 C ATOM 1654 OG1 THR A 108 -8.602 10.041 5.287 1.00 0.00 O ATOM 1655 CG2 THR A 108 -9.550 9.143 3.255 1.00 0.00 C ATOM 0 H THR A 108 -10.957 7.016 4.666 1.00 0.00 H new ATOM 0 HA THR A 108 -10.633 8.957 6.530 1.00 0.00 H new ATOM 0 HB THR A 108 -8.905 8.022 4.954 1.00 0.00 H new ATOM 0 HG1 THR A 108 -7.676 9.737 5.392 1.00 0.00 H new ATOM 0 HG21 THR A 108 -8.564 9.156 2.790 1.00 0.00 H new ATOM 0 HG22 THR A 108 -10.131 8.313 2.852 1.00 0.00 H new ATOM 0 HG23 THR A 108 -10.063 10.081 3.044 1.00 0.00 H new ATOM 1663 N LYS A 109 -11.372 11.279 5.783 1.00 0.00 N ATOM 1664 CA LYS A 109 -12.058 12.533 5.495 1.00 0.00 C ATOM 1665 C LYS A 109 -11.562 13.136 4.185 1.00 0.00 C ATOM 1666 O LYS A 109 -12.333 13.322 3.244 1.00 0.00 O ATOM 1667 CB LYS A 109 -11.848 13.528 6.640 1.00 0.00 C ATOM 1668 CG LYS A 109 -12.465 14.891 6.380 1.00 0.00 C ATOM 1669 CD LYS A 109 -11.986 15.920 7.391 1.00 0.00 C ATOM 1670 CE LYS A 109 -10.523 16.275 7.176 1.00 0.00 C ATOM 1671 NZ LYS A 109 -9.614 15.348 7.907 1.00 0.00 N ATOM 0 H LYS A 109 -10.752 11.314 6.592 1.00 0.00 H new ATOM 0 HA LYS A 109 -13.123 12.322 5.397 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -12.274 13.113 7.554 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -10.779 13.649 6.814 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -12.209 15.222 5.373 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -13.551 14.814 6.424 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -12.595 16.820 7.312 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -12.122 15.531 8.400 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -10.294 16.243 6.111 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -10.344 17.297 7.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -9.003 15.894 8.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -10.179 14.672 8.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -9.025 14.830 7.225 1.00 0.00 H new ATOM 1685 N LYS A 110 -10.269 13.438 4.131 1.00 0.00 N ATOM 1686 CA LYS A 110 -9.668 14.018 2.935 1.00 0.00 C ATOM 1687 C LYS A 110 -9.376 12.940 1.896 1.00 0.00 C ATOM 1688 O LYS A 110 -9.251 11.761 2.228 1.00 0.00 O ATOM 1689 CB LYS A 110 -8.378 14.757 3.296 1.00 0.00 C ATOM 1690 CG LYS A 110 -8.591 16.221 3.640 1.00 0.00 C ATOM 1691 CD LYS A 110 -8.655 17.084 2.392 1.00 0.00 C ATOM 1692 CE LYS A 110 -7.266 17.496 1.927 1.00 0.00 C ATOM 1693 NZ LYS A 110 -6.680 18.552 2.799 1.00 0.00 N ATOM 0 H LYS A 110 -9.617 13.291 4.901 1.00 0.00 H new ATOM 0 HA LYS A 110 -10.378 14.726 2.508 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -7.909 14.258 4.144 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -7.683 14.687 2.460 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -9.515 16.331 4.207 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.780 16.567 4.281 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -9.159 16.537 1.595 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -9.251 17.974 2.594 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -6.611 16.625 1.922 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -7.320 17.860 0.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -5.854 18.973 2.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -7.391 19.290 2.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -6.386 18.131 3.703 1.00 0.00 H new ATOM 1707 N ALA A 111 -9.268 13.352 0.638 1.00 0.00 N ATOM 1708 CA ALA A 111 -8.986 12.423 -0.450 1.00 0.00 C ATOM 1709 C ALA A 111 -7.493 12.133 -0.553 1.00 0.00 C ATOM 1710 O ALA A 111 -6.767 12.812 -1.280 1.00 0.00 O ATOM 1711 CB ALA A 111 -9.510 12.976 -1.766 1.00 0.00 C ATOM 0 H ALA A 111 -9.372 14.324 0.346 1.00 0.00 H new ATOM 0 HA ALA A 111 -9.497 11.485 -0.234 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -9.292 12.272 -2.569 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -10.588 13.124 -1.695 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -9.026 13.929 -1.978 1.00 0.00 H new ATOM 1717 N LEU A 112 -7.038 11.123 0.182 1.00 0.00 N ATOM 1718 CA LEU A 112 -5.630 10.744 0.173 1.00 0.00 C ATOM 1719 C LEU A 112 -5.231 10.157 -1.177 1.00 0.00 C ATOM 1720 O LEU A 112 -5.986 9.396 -1.782 1.00 0.00 O ATOM 1721 CB LEU A 112 -5.347 9.733 1.285 1.00 0.00 C ATOM 1722 CG LEU A 112 -4.941 10.317 2.638 1.00 0.00 C ATOM 1723 CD1 LEU A 112 -6.070 11.157 3.217 1.00 0.00 C ATOM 1724 CD2 LEU A 112 -4.550 9.208 3.603 1.00 0.00 C ATOM 0 H LEU A 112 -7.624 10.552 0.791 1.00 0.00 H new ATOM 0 HA LEU A 112 -5.037 11.642 0.346 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.239 9.122 1.429 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -4.554 9.065 0.948 1.00 0.00 H new ATOM 0 HG LEU A 112 -4.075 10.962 2.488 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -5.763 11.565 4.180 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -6.302 11.974 2.534 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -6.955 10.534 3.352 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -4.264 9.643 4.561 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -5.396 8.536 3.748 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -3.709 8.649 3.193 1.00 0.00 H new ATOM 1736 N VAL A 113 -4.040 10.515 -1.644 1.00 0.00 N ATOM 1737 CA VAL A 113 -3.539 10.023 -2.921 1.00 0.00 C ATOM 1738 C VAL A 113 -2.674 8.782 -2.730 1.00 0.00 C ATOM 1739 O VAL A 113 -1.770 8.747 -1.894 1.00 0.00 O ATOM 1740 CB VAL A 113 -2.719 11.099 -3.656 1.00 0.00 C ATOM 1741 CG1 VAL A 113 -1.858 10.468 -4.740 1.00 0.00 C ATOM 1742 CG2 VAL A 113 -3.637 12.160 -4.242 1.00 0.00 C ATOM 0 H VAL A 113 -3.403 11.145 -1.156 1.00 0.00 H new ATOM 0 HA VAL A 113 -4.410 9.767 -3.525 1.00 0.00 H new ATOM 0 HB VAL A 113 -2.057 11.581 -2.936 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -1.286 11.244 -5.248 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -1.174 9.750 -4.289 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -2.497 9.957 -5.461 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -3.041 12.913 -4.758 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -4.325 11.696 -4.948 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -4.204 12.633 -3.441 1.00 0.00 H new ATOM 1752 N PRO A 114 -2.953 7.738 -3.524 1.00 0.00 N ATOM 1753 CA PRO A 114 -2.211 6.475 -3.461 1.00 0.00 C ATOM 1754 C PRO A 114 -0.785 6.615 -3.984 1.00 0.00 C ATOM 1755 O PRO A 114 -0.560 7.155 -5.067 1.00 0.00 O ATOM 1756 CB PRO A 114 -3.022 5.541 -4.364 1.00 0.00 C ATOM 1757 CG PRO A 114 -3.726 6.450 -5.313 1.00 0.00 C ATOM 1758 CD PRO A 114 -4.016 7.709 -4.543 1.00 0.00 C ATOM 0 HA PRO A 114 -2.105 6.115 -2.438 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -2.375 4.841 -4.892 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -3.730 4.947 -3.786 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -3.106 6.660 -6.185 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -4.647 5.995 -5.678 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -3.982 8.589 -5.185 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -5.007 7.684 -4.090 1.00 0.00 H new ATOM 1766 N PHE A 115 0.176 6.125 -3.207 1.00 0.00 N ATOM 1767 CA PHE A 115 1.580 6.196 -3.591 1.00 0.00 C ATOM 1768 C PHE A 115 1.932 5.083 -4.576 1.00 0.00 C ATOM 1769 O PHE A 115 1.672 3.908 -4.320 1.00 0.00 O ATOM 1770 CB PHE A 115 2.475 6.098 -2.354 1.00 0.00 C ATOM 1771 CG PHE A 115 3.942 6.058 -2.677 1.00 0.00 C ATOM 1772 CD1 PHE A 115 4.493 4.964 -3.322 1.00 0.00 C ATOM 1773 CD2 PHE A 115 4.769 7.116 -2.335 1.00 0.00 C ATOM 1774 CE1 PHE A 115 5.842 4.924 -3.619 1.00 0.00 C ATOM 1775 CE2 PHE A 115 6.118 7.083 -2.630 1.00 0.00 C ATOM 1776 CZ PHE A 115 6.656 5.985 -3.274 1.00 0.00 C ATOM 0 H PHE A 115 0.007 5.675 -2.308 1.00 0.00 H new ATOM 0 HA PHE A 115 1.749 7.156 -4.078 1.00 0.00 H new ATOM 0 HB2 PHE A 115 2.277 6.950 -1.704 1.00 0.00 H new ATOM 0 HB3 PHE A 115 2.210 5.201 -1.794 1.00 0.00 H new ATOM 0 HD1 PHE A 115 3.861 4.132 -3.596 1.00 0.00 H new ATOM 0 HD2 PHE A 115 4.354 7.977 -1.832 1.00 0.00 H new ATOM 0 HE1 PHE A 115 6.260 4.064 -4.121 1.00 0.00 H new ATOM 0 HE2 PHE A 115 6.752 7.914 -2.358 1.00 0.00 H new ATOM 0 HZ PHE A 115 7.710 5.957 -3.507 1.00 0.00 H new ATOM 1786 N LEU A 116 2.524 5.464 -5.702 1.00 0.00 N ATOM 1787 CA LEU A 116 2.911 4.501 -6.726 1.00 0.00 C ATOM 1788 C LEU A 116 4.230 4.902 -7.381 1.00 0.00 C ATOM 1789 O LEU A 116 4.508 6.088 -7.566 1.00 0.00 O ATOM 1790 CB LEU A 116 1.816 4.388 -7.788 1.00 0.00 C ATOM 1791 CG LEU A 116 2.200 3.651 -9.072 1.00 0.00 C ATOM 1792 CD1 LEU A 116 2.336 2.159 -8.812 1.00 0.00 C ATOM 1793 CD2 LEU A 116 1.171 3.912 -10.164 1.00 0.00 C ATOM 0 H LEU A 116 2.747 6.433 -5.929 1.00 0.00 H new ATOM 0 HA LEU A 116 3.045 3.532 -6.245 1.00 0.00 H new ATOM 0 HB2 LEU A 116 0.959 3.882 -7.345 1.00 0.00 H new ATOM 0 HB3 LEU A 116 1.490 5.394 -8.054 1.00 0.00 H new ATOM 0 HG LEU A 116 3.165 4.029 -9.410 1.00 0.00 H new ATOM 0 HD11 LEU A 116 2.610 1.652 -9.737 1.00 0.00 H new ATOM 0 HD12 LEU A 116 3.109 1.989 -8.063 1.00 0.00 H new ATOM 0 HD13 LEU A 116 1.387 1.765 -8.449 1.00 0.00 H new ATOM 0 HD21 LEU A 116 1.460 3.380 -11.071 1.00 0.00 H new ATOM 0 HD22 LEU A 116 0.193 3.562 -9.834 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.123 4.981 -10.370 1.00 0.00 H new ATOM 1805 N LEU A 117 5.036 3.907 -7.731 1.00 0.00 N ATOM 1806 CA LEU A 117 6.326 4.156 -8.368 1.00 0.00 C ATOM 1807 C LEU A 117 6.490 3.297 -9.618 1.00 0.00 C ATOM 1808 O LEU A 117 6.645 2.079 -9.530 1.00 0.00 O ATOM 1809 CB LEU A 117 7.464 3.872 -7.386 1.00 0.00 C ATOM 1810 CG LEU A 117 8.738 4.698 -7.578 1.00 0.00 C ATOM 1811 CD1 LEU A 117 9.455 4.889 -6.250 1.00 0.00 C ATOM 1812 CD2 LEU A 117 9.656 4.033 -8.593 1.00 0.00 C ATOM 0 H LEU A 117 4.821 2.921 -7.585 1.00 0.00 H new ATOM 0 HA LEU A 117 6.363 5.205 -8.663 1.00 0.00 H new ATOM 0 HB2 LEU A 117 7.095 4.040 -6.374 1.00 0.00 H new ATOM 0 HB3 LEU A 117 7.725 2.816 -7.459 1.00 0.00 H new ATOM 0 HG LEU A 117 8.459 5.680 -7.960 1.00 0.00 H new ATOM 0 HD11 LEU A 117 10.359 5.479 -6.406 1.00 0.00 H new ATOM 0 HD12 LEU A 117 8.798 5.409 -5.553 1.00 0.00 H new ATOM 0 HD13 LEU A 117 9.723 3.916 -5.838 1.00 0.00 H new ATOM 0 HD21 LEU A 117 10.557 4.634 -8.717 1.00 0.00 H new ATOM 0 HD22 LEU A 117 9.929 3.038 -8.240 1.00 0.00 H new ATOM 0 HD23 LEU A 117 9.141 3.950 -9.550 1.00 0.00 H new ATOM 1824 N ASP A 118 6.458 3.940 -10.780 1.00 0.00 N ATOM 1825 CA ASP A 118 6.608 3.236 -12.048 1.00 0.00 C ATOM 1826 C ASP A 118 8.079 2.978 -12.356 1.00 0.00 C ATOM 1827 O ASP A 118 8.946 3.783 -12.014 1.00 0.00 O ATOM 1828 CB ASP A 118 5.970 4.041 -13.180 1.00 0.00 C ATOM 1829 CG ASP A 118 4.500 3.721 -13.363 1.00 0.00 C ATOM 1830 OD1 ASP A 118 3.700 4.075 -12.472 1.00 0.00 O ATOM 1831 OD2 ASP A 118 4.149 3.115 -14.398 1.00 0.00 O ATOM 0 H ASP A 118 6.329 4.948 -10.870 1.00 0.00 H new ATOM 0 HA ASP A 118 6.100 2.275 -11.965 1.00 0.00 H new ATOM 0 HB2 ASP A 118 6.084 5.105 -12.974 1.00 0.00 H new ATOM 0 HB3 ASP A 118 6.501 3.838 -14.110 1.00 0.00 H new TER 1836 ASP A 118