USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 885 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 32 TYR OH : rot 30:sc= 0.161 USER MOD Set 1.2: A 109 SER OG : rot -174:sc= 0.169 USER MOD Set 2.1: A 59 HIS : no HE2:sc= -13.5! C(o=-17!,f=-19!) USER MOD Set 2.2: A 92 HIS :FLIP no HD1:sc= -2.83! C(o=-18!,f=-17!) USER MOD Set 2.3: A 100 SER OG : rot -150:sc= -0.217 USER MOD Single : A 7 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0448) USER MOD Single : A 10 LYS NZ :NH3+ 150:sc= -0.254 (180deg=-1.08) USER MOD Single : A 15 GLN : amide:sc= -0.268 K(o=-0.27,f=-1.3) USER MOD Single : A 21 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.504) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.0204 X(o=-0.02,f=-0.021) USER MOD Single : A 37 THR OG1 : rot 180:sc= -1.09 USER MOD Single : A 41 TYR OH : rot 180:sc= -0.559 USER MOD Single : A 45 LYS NZ :NH3+ -169:sc= -0.369 (180deg=-0.654) USER MOD Single : A 46 THR OG1 : rot 180:sc= -3.62! USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN :FLIP amide:sc= -1.5! C(o=-2.3!,f=-1.5!) USER MOD Single : A 53 ASN : amide:sc= -0.0249 X(o=-0.025,f=0.11) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 30:sc=-0.000354 USER MOD Single : A 64 ASN :FLIP amide:sc= -0.305 F(o=-0.81,f=-0.31) USER MOD Single : A 66 CYS SG : rot 180:sc= -1.74 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.0141 K(o=-0.014,f=-1.4!) USER MOD Single : A 71 SER OG : rot 85:sc= 0.349 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 GLN :FLIP amide:sc= -0.207 F(o=-1.7!,f=-0.21) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -0.9! C(o=-0.9!,f=-0.99!) USER MOD Single : A 91 GLN : amide:sc= -5.76! C(o=-5.8!,f=-15!) USER MOD Single : A 96 GLN : amide:sc= -6.2! C(o=-6.2!,f=-15!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 TYR OH : rot -87:sc= -3.27! USER MOD Single : A 114 LYS NZ :NH3+ -158:sc=-0.00945 (180deg=-0.575) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 35 N PRO A 3 104.248 -6.923 12.296 1.00 0.00 N ATOM 36 CA PRO A 3 104.072 -7.734 11.056 1.00 0.00 C ATOM 37 C PRO A 3 103.049 -8.859 11.245 1.00 0.00 C ATOM 38 O PRO A 3 103.381 -10.027 11.198 1.00 0.00 O ATOM 39 CB PRO A 3 105.466 -8.314 10.803 1.00 0.00 C ATOM 40 CG PRO A 3 106.126 -8.353 12.142 1.00 0.00 C ATOM 41 CD PRO A 3 105.525 -7.212 12.965 1.00 0.00 C ATOM 0 HA PRO A 3 103.693 -7.136 10.227 1.00 0.00 H new ATOM 0 HB2 PRO A 3 105.404 -9.311 10.366 1.00 0.00 H new ATOM 0 HB3 PRO A 3 106.029 -7.694 10.105 1.00 0.00 H new ATOM 0 HG2 PRO A 3 105.955 -9.313 12.629 1.00 0.00 H new ATOM 0 HG3 PRO A 3 107.205 -8.233 12.045 1.00 0.00 H new ATOM 0 HD2 PRO A 3 105.374 -7.506 14.004 1.00 0.00 H new ATOM 0 HD3 PRO A 3 106.178 -6.339 12.973 1.00 0.00 H new ATOM 49 N GLU A 4 101.808 -8.516 11.463 1.00 0.00 N ATOM 50 CA GLU A 4 100.770 -9.566 11.659 1.00 0.00 C ATOM 51 C GLU A 4 100.281 -10.066 10.297 1.00 0.00 C ATOM 52 O GLU A 4 99.864 -11.198 10.156 1.00 0.00 O ATOM 53 CB GLU A 4 99.594 -8.982 12.443 1.00 0.00 C ATOM 54 CG GLU A 4 98.738 -10.119 13.008 1.00 0.00 C ATOM 55 CD GLU A 4 97.821 -9.573 14.104 1.00 0.00 C ATOM 56 OE1 GLU A 4 98.270 -8.722 14.852 1.00 0.00 O ATOM 57 OE2 GLU A 4 96.687 -10.015 14.174 1.00 0.00 O ATOM 0 H GLU A 4 101.469 -7.555 11.514 1.00 0.00 H new ATOM 0 HA GLU A 4 101.199 -10.399 12.216 1.00 0.00 H new ATOM 0 HB2 GLU A 4 99.961 -8.352 13.253 1.00 0.00 H new ATOM 0 HB3 GLU A 4 98.991 -8.347 11.794 1.00 0.00 H new ATOM 0 HG2 GLU A 4 98.144 -10.570 12.213 1.00 0.00 H new ATOM 0 HG3 GLU A 4 99.378 -10.904 13.412 1.00 0.00 H new ATOM 64 N PHE A 5 100.327 -9.233 9.292 1.00 0.00 N ATOM 65 CA PHE A 5 99.862 -9.673 7.946 1.00 0.00 C ATOM 66 C PHE A 5 100.676 -10.889 7.501 1.00 0.00 C ATOM 67 O PHE A 5 100.298 -11.604 6.594 1.00 0.00 O ATOM 68 CB PHE A 5 100.046 -8.535 6.935 1.00 0.00 C ATOM 69 CG PHE A 5 99.447 -8.944 5.610 1.00 0.00 C ATOM 70 CD1 PHE A 5 100.278 -9.221 4.520 1.00 0.00 C ATOM 71 CD2 PHE A 5 98.060 -9.059 5.475 1.00 0.00 C ATOM 72 CE1 PHE A 5 99.724 -9.611 3.296 1.00 0.00 C ATOM 73 CE2 PHE A 5 97.506 -9.446 4.251 1.00 0.00 C ATOM 74 CZ PHE A 5 98.338 -9.724 3.161 1.00 0.00 C ATOM 0 H PHE A 5 100.665 -8.272 9.345 1.00 0.00 H new ATOM 0 HA PHE A 5 98.806 -9.938 7.998 1.00 0.00 H new ATOM 0 HB2 PHE A 5 99.565 -7.627 7.300 1.00 0.00 H new ATOM 0 HB3 PHE A 5 101.105 -8.308 6.814 1.00 0.00 H new ATOM 0 HD1 PHE A 5 101.350 -9.134 4.623 1.00 0.00 H new ATOM 0 HD2 PHE A 5 97.416 -8.849 6.316 1.00 0.00 H new ATOM 0 HE1 PHE A 5 100.368 -9.825 2.456 1.00 0.00 H new ATOM 0 HE2 PHE A 5 96.434 -9.530 4.147 1.00 0.00 H new ATOM 0 HZ PHE A 5 97.909 -10.026 2.217 1.00 0.00 H new ATOM 84 N LEU A 6 101.792 -11.131 8.133 1.00 0.00 N ATOM 85 CA LEU A 6 102.628 -12.301 7.749 1.00 0.00 C ATOM 86 C LEU A 6 102.206 -13.522 8.567 1.00 0.00 C ATOM 87 O LEU A 6 102.230 -14.639 8.094 1.00 0.00 O ATOM 88 CB LEU A 6 104.103 -11.991 8.020 1.00 0.00 C ATOM 89 CG LEU A 6 104.370 -10.506 7.777 1.00 0.00 C ATOM 90 CD1 LEU A 6 105.853 -10.211 8.006 1.00 0.00 C ATOM 91 CD2 LEU A 6 103.999 -10.150 6.336 1.00 0.00 C ATOM 0 H LEU A 6 102.160 -10.568 8.899 1.00 0.00 H new ATOM 0 HA LEU A 6 102.491 -12.509 6.688 1.00 0.00 H new ATOM 0 HB2 LEU A 6 104.357 -12.253 9.047 1.00 0.00 H new ATOM 0 HB3 LEU A 6 104.737 -12.595 7.371 1.00 0.00 H new ATOM 0 HG LEU A 6 103.769 -9.912 8.466 1.00 0.00 H new ATOM 0 HD11 LEU A 6 106.044 -9.152 7.833 1.00 0.00 H new ATOM 0 HD12 LEU A 6 106.120 -10.465 9.032 1.00 0.00 H new ATOM 0 HD13 LEU A 6 106.453 -10.805 7.317 1.00 0.00 H new ATOM 0 HD21 LEU A 6 104.189 -9.091 6.162 1.00 0.00 H new ATOM 0 HD22 LEU A 6 104.600 -10.744 5.648 1.00 0.00 H new ATOM 0 HD23 LEU A 6 102.943 -10.361 6.170 1.00 0.00 H new ATOM 103 N LYS A 7 101.821 -13.315 9.798 1.00 0.00 N ATOM 104 CA LYS A 7 101.399 -14.459 10.649 1.00 0.00 C ATOM 105 C LYS A 7 99.907 -14.729 10.446 1.00 0.00 C ATOM 106 O LYS A 7 99.400 -15.770 10.816 1.00 0.00 O ATOM 107 CB LYS A 7 101.660 -14.122 12.120 1.00 0.00 C ATOM 108 CG LYS A 7 103.122 -14.422 12.460 1.00 0.00 C ATOM 109 CD LYS A 7 103.532 -13.623 13.699 1.00 0.00 C ATOM 110 CE LYS A 7 104.909 -14.089 14.174 1.00 0.00 C ATOM 111 NZ LYS A 7 104.766 -15.361 14.938 1.00 0.00 N ATOM 0 H LYS A 7 101.781 -12.401 10.249 1.00 0.00 H new ATOM 0 HA LYS A 7 101.968 -15.346 10.370 1.00 0.00 H new ATOM 0 HB2 LYS A 7 101.440 -13.071 12.308 1.00 0.00 H new ATOM 0 HB3 LYS A 7 100.999 -14.706 12.761 1.00 0.00 H new ATOM 0 HG2 LYS A 7 103.253 -15.489 12.642 1.00 0.00 H new ATOM 0 HG3 LYS A 7 103.763 -14.162 11.618 1.00 0.00 H new ATOM 0 HD2 LYS A 7 103.557 -12.558 13.466 1.00 0.00 H new ATOM 0 HD3 LYS A 7 102.797 -13.759 14.492 1.00 0.00 H new ATOM 0 HE2 LYS A 7 105.569 -14.238 13.320 1.00 0.00 H new ATOM 0 HE3 LYS A 7 105.367 -13.325 14.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 105.672 -15.599 15.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 104.035 -15.247 15.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 104.491 -16.126 14.290 1.00 0.00 H new ATOM 125 N ALA A 8 99.200 -13.801 9.860 1.00 0.00 N ATOM 126 CA ALA A 8 97.741 -14.009 9.633 1.00 0.00 C ATOM 127 C ALA A 8 97.501 -15.440 9.147 1.00 0.00 C ATOM 128 O ALA A 8 98.127 -15.900 8.213 1.00 0.00 O ATOM 129 CB ALA A 8 97.243 -13.021 8.580 1.00 0.00 C ATOM 0 H ALA A 8 99.569 -12.909 9.529 1.00 0.00 H new ATOM 0 HA ALA A 8 97.200 -13.847 10.565 1.00 0.00 H new ATOM 0 HB1 ALA A 8 96.176 -13.173 8.414 1.00 0.00 H new ATOM 0 HB2 ALA A 8 97.415 -12.002 8.927 1.00 0.00 H new ATOM 0 HB3 ALA A 8 97.782 -13.182 7.646 1.00 0.00 H new ATOM 135 N GLY A 9 96.598 -16.146 9.772 1.00 0.00 N ATOM 136 CA GLY A 9 96.322 -17.547 9.342 1.00 0.00 C ATOM 137 C GLY A 9 95.353 -18.205 10.327 1.00 0.00 C ATOM 138 O GLY A 9 95.389 -19.401 10.539 1.00 0.00 O ATOM 0 H GLY A 9 96.041 -15.815 10.560 1.00 0.00 H new ATOM 0 HA2 GLY A 9 95.896 -17.553 8.339 1.00 0.00 H new ATOM 0 HA3 GLY A 9 97.252 -18.114 9.297 1.00 0.00 H new ATOM 142 N LYS A 10 94.486 -17.435 10.928 1.00 0.00 N ATOM 143 CA LYS A 10 93.516 -18.013 11.895 1.00 0.00 C ATOM 144 C LYS A 10 92.104 -17.543 11.540 1.00 0.00 C ATOM 145 O LYS A 10 91.297 -17.260 12.403 1.00 0.00 O ATOM 146 CB LYS A 10 93.867 -17.552 13.311 1.00 0.00 C ATOM 147 CG LYS A 10 95.290 -18.001 13.660 1.00 0.00 C ATOM 148 CD LYS A 10 96.280 -16.884 13.321 1.00 0.00 C ATOM 149 CE LYS A 10 96.391 -15.923 14.505 1.00 0.00 C ATOM 150 NZ LYS A 10 96.980 -16.639 15.673 1.00 0.00 N ATOM 0 H LYS A 10 94.410 -16.427 10.789 1.00 0.00 H new ATOM 0 HA LYS A 10 93.561 -19.101 11.848 1.00 0.00 H new ATOM 0 HB2 LYS A 10 93.790 -16.467 13.381 1.00 0.00 H new ATOM 0 HB3 LYS A 10 93.158 -17.969 14.026 1.00 0.00 H new ATOM 0 HG2 LYS A 10 95.354 -18.248 14.720 1.00 0.00 H new ATOM 0 HG3 LYS A 10 95.543 -18.905 13.106 1.00 0.00 H new ATOM 0 HD2 LYS A 10 97.257 -17.308 13.090 1.00 0.00 H new ATOM 0 HD3 LYS A 10 95.948 -16.347 12.433 1.00 0.00 H new ATOM 0 HE2 LYS A 10 97.013 -15.069 14.237 1.00 0.00 H new ATOM 0 HE3 LYS A 10 95.407 -15.532 14.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 97.513 -15.966 16.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 96.219 -17.065 16.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 97.620 -17.386 15.336 1.00 0.00 H new ATOM 164 N GLU A 11 91.800 -17.459 10.274 1.00 0.00 N ATOM 165 CA GLU A 11 90.443 -17.008 9.860 1.00 0.00 C ATOM 166 C GLU A 11 90.154 -17.508 8.442 1.00 0.00 C ATOM 167 O GLU A 11 90.273 -16.774 7.481 1.00 0.00 O ATOM 168 CB GLU A 11 90.383 -15.479 9.885 1.00 0.00 C ATOM 169 CG GLU A 11 90.424 -14.989 11.332 1.00 0.00 C ATOM 170 CD GLU A 11 89.958 -13.534 11.393 1.00 0.00 C ATOM 171 OE1 GLU A 11 90.754 -12.692 11.774 1.00 0.00 O ATOM 172 OE2 GLU A 11 88.811 -13.285 11.056 1.00 0.00 O ATOM 0 H GLU A 11 92.435 -17.684 9.508 1.00 0.00 H new ATOM 0 HA GLU A 11 89.699 -17.410 10.548 1.00 0.00 H new ATOM 0 HB2 GLU A 11 91.221 -15.063 9.325 1.00 0.00 H new ATOM 0 HB3 GLU A 11 89.471 -15.133 9.399 1.00 0.00 H new ATOM 0 HG2 GLU A 11 89.784 -15.613 11.956 1.00 0.00 H new ATOM 0 HG3 GLU A 11 91.436 -15.074 11.727 1.00 0.00 H new ATOM 179 N PRO A 12 89.778 -18.752 8.318 1.00 0.00 N ATOM 180 CA PRO A 12 89.465 -19.373 7.000 1.00 0.00 C ATOM 181 C PRO A 12 88.531 -18.499 6.157 1.00 0.00 C ATOM 182 O PRO A 12 87.339 -18.721 6.101 1.00 0.00 O ATOM 183 CB PRO A 12 88.781 -20.690 7.370 1.00 0.00 C ATOM 184 CG PRO A 12 89.285 -21.029 8.734 1.00 0.00 C ATOM 185 CD PRO A 12 89.610 -19.704 9.427 1.00 0.00 C ATOM 0 HA PRO A 12 90.359 -19.506 6.392 1.00 0.00 H new ATOM 0 HB2 PRO A 12 87.696 -20.584 7.367 1.00 0.00 H new ATOM 0 HB3 PRO A 12 89.026 -21.475 6.654 1.00 0.00 H new ATOM 0 HG2 PRO A 12 88.535 -21.585 9.296 1.00 0.00 H new ATOM 0 HG3 PRO A 12 90.171 -21.661 8.673 1.00 0.00 H new ATOM 0 HD2 PRO A 12 88.807 -19.397 10.098 1.00 0.00 H new ATOM 0 HD3 PRO A 12 90.516 -19.780 10.028 1.00 0.00 H new ATOM 193 N GLY A 13 89.066 -17.504 5.501 1.00 0.00 N ATOM 194 CA GLY A 13 88.209 -16.620 4.664 1.00 0.00 C ATOM 195 C GLY A 13 89.061 -15.506 4.055 1.00 0.00 C ATOM 196 O GLY A 13 89.745 -15.702 3.070 1.00 0.00 O ATOM 0 H GLY A 13 90.058 -17.267 5.509 1.00 0.00 H new ATOM 0 HA2 GLY A 13 87.733 -17.201 3.874 1.00 0.00 H new ATOM 0 HA3 GLY A 13 87.411 -16.191 5.270 1.00 0.00 H new ATOM 200 N LEU A 14 89.026 -14.336 4.634 1.00 0.00 N ATOM 201 CA LEU A 14 89.832 -13.211 4.083 1.00 0.00 C ATOM 202 C LEU A 14 90.092 -12.176 5.180 1.00 0.00 C ATOM 203 O LEU A 14 89.179 -11.684 5.812 1.00 0.00 O ATOM 204 CB LEU A 14 89.065 -12.559 2.929 1.00 0.00 C ATOM 205 CG LEU A 14 89.918 -11.453 2.301 1.00 0.00 C ATOM 206 CD1 LEU A 14 89.359 -11.105 0.920 1.00 0.00 C ATOM 207 CD2 LEU A 14 89.895 -10.204 3.192 1.00 0.00 C ATOM 0 H LEU A 14 88.475 -14.112 5.463 1.00 0.00 H new ATOM 0 HA LEU A 14 90.787 -13.591 3.718 1.00 0.00 H new ATOM 0 HB2 LEU A 14 88.813 -13.308 2.178 1.00 0.00 H new ATOM 0 HB3 LEU A 14 88.125 -12.144 3.293 1.00 0.00 H new ATOM 0 HG LEU A 14 90.946 -11.803 2.204 1.00 0.00 H new ATOM 0 HD11 LEU A 14 89.964 -10.318 0.470 1.00 0.00 H new ATOM 0 HD12 LEU A 14 89.384 -11.990 0.284 1.00 0.00 H new ATOM 0 HD13 LEU A 14 88.330 -10.759 1.021 1.00 0.00 H new ATOM 0 HD21 LEU A 14 90.504 -9.422 2.738 1.00 0.00 H new ATOM 0 HD22 LEU A 14 88.869 -9.850 3.296 1.00 0.00 H new ATOM 0 HD23 LEU A 14 90.295 -10.451 4.175 1.00 0.00 H new ATOM 219 N GLN A 15 91.336 -11.842 5.408 1.00 0.00 N ATOM 220 CA GLN A 15 91.665 -10.837 6.461 1.00 0.00 C ATOM 221 C GLN A 15 92.221 -9.574 5.797 1.00 0.00 C ATOM 222 O GLN A 15 93.068 -9.643 4.928 1.00 0.00 O ATOM 223 CB GLN A 15 92.716 -11.419 7.408 1.00 0.00 C ATOM 224 CG GLN A 15 92.228 -12.759 7.965 1.00 0.00 C ATOM 225 CD GLN A 15 93.420 -13.701 8.156 1.00 0.00 C ATOM 226 OE1 GLN A 15 94.030 -14.127 7.195 1.00 0.00 O ATOM 227 NE2 GLN A 15 93.779 -14.045 9.362 1.00 0.00 N ATOM 0 H GLN A 15 92.140 -12.223 4.909 1.00 0.00 H new ATOM 0 HA GLN A 15 90.766 -10.589 7.025 1.00 0.00 H new ATOM 0 HB2 GLN A 15 93.659 -11.557 6.879 1.00 0.00 H new ATOM 0 HB3 GLN A 15 92.907 -10.723 8.225 1.00 0.00 H new ATOM 0 HG2 GLN A 15 91.718 -12.605 8.916 1.00 0.00 H new ATOM 0 HG3 GLN A 15 91.504 -13.206 7.283 1.00 0.00 H new ATOM 0 HE21 GLN A 15 93.267 -13.687 10.168 1.00 0.00 H new ATOM 0 HE22 GLN A 15 94.572 -14.672 9.499 1.00 0.00 H new ATOM 236 N ILE A 16 91.747 -8.423 6.195 1.00 0.00 N ATOM 237 CA ILE A 16 92.244 -7.159 5.576 1.00 0.00 C ATOM 238 C ILE A 16 93.261 -6.485 6.498 1.00 0.00 C ATOM 239 O ILE A 16 93.162 -6.553 7.708 1.00 0.00 O ATOM 240 CB ILE A 16 91.067 -6.212 5.342 1.00 0.00 C ATOM 241 CG1 ILE A 16 89.860 -7.013 4.849 1.00 0.00 C ATOM 242 CG2 ILE A 16 91.450 -5.172 4.286 1.00 0.00 C ATOM 243 CD1 ILE A 16 88.696 -6.062 4.562 1.00 0.00 C ATOM 0 H ILE A 16 91.039 -8.303 6.920 1.00 0.00 H new ATOM 0 HA ILE A 16 92.725 -7.393 4.626 1.00 0.00 H new ATOM 0 HB ILE A 16 90.816 -5.708 6.275 1.00 0.00 H new ATOM 0 HG12 ILE A 16 90.122 -7.566 3.947 1.00 0.00 H new ATOM 0 HG13 ILE A 16 89.567 -7.747 5.599 1.00 0.00 H new ATOM 0 HG21 ILE A 16 90.611 -4.497 4.119 1.00 0.00 H new ATOM 0 HG22 ILE A 16 92.311 -4.601 4.633 1.00 0.00 H new ATOM 0 HG23 ILE A 16 91.701 -5.676 3.353 1.00 0.00 H new ATOM 0 HD11 ILE A 16 87.837 -6.634 4.211 1.00 0.00 H new ATOM 0 HD12 ILE A 16 88.429 -5.529 5.474 1.00 0.00 H new ATOM 0 HD13 ILE A 16 88.992 -5.345 3.796 1.00 0.00 H new ATOM 255 N TRP A 17 94.237 -5.827 5.930 1.00 0.00 N ATOM 256 CA TRP A 17 95.264 -5.140 6.760 1.00 0.00 C ATOM 257 C TRP A 17 95.685 -3.847 6.055 1.00 0.00 C ATOM 258 O TRP A 17 95.846 -3.814 4.852 1.00 0.00 O ATOM 259 CB TRP A 17 96.479 -6.058 6.923 1.00 0.00 C ATOM 260 CG TRP A 17 96.555 -6.569 8.329 1.00 0.00 C ATOM 261 CD1 TRP A 17 96.989 -5.853 9.391 1.00 0.00 C ATOM 262 CD2 TRP A 17 96.202 -7.888 8.841 1.00 0.00 C ATOM 263 NE1 TRP A 17 96.928 -6.649 10.521 1.00 0.00 N ATOM 264 CE2 TRP A 17 96.451 -7.912 10.234 1.00 0.00 C ATOM 265 CE3 TRP A 17 95.698 -9.056 8.238 1.00 0.00 C ATOM 266 CZ2 TRP A 17 96.210 -9.052 11.001 1.00 0.00 C ATOM 267 CZ3 TRP A 17 95.454 -10.205 9.008 1.00 0.00 C ATOM 268 CH2 TRP A 17 95.710 -10.202 10.386 1.00 0.00 C ATOM 0 H TRP A 17 94.366 -5.737 4.922 1.00 0.00 H new ATOM 0 HA TRP A 17 94.856 -4.906 7.743 1.00 0.00 H new ATOM 0 HB2 TRP A 17 96.408 -6.894 6.228 1.00 0.00 H new ATOM 0 HB3 TRP A 17 97.391 -5.514 6.676 1.00 0.00 H new ATOM 0 HD1 TRP A 17 97.328 -4.828 9.362 1.00 0.00 H new ATOM 0 HE1 TRP A 17 97.202 -6.340 11.453 1.00 0.00 H new ATOM 0 HE3 TRP A 17 95.498 -9.069 7.177 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 96.409 -9.045 12.063 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 95.067 -11.096 8.536 1.00 0.00 H new ATOM 0 HH2 TRP A 17 95.521 -11.089 10.972 1.00 0.00 H new ATOM 279 N ARG A 18 95.864 -2.783 6.791 1.00 0.00 N ATOM 280 CA ARG A 18 96.272 -1.497 6.153 1.00 0.00 C ATOM 281 C ARG A 18 97.728 -1.192 6.510 1.00 0.00 C ATOM 282 O ARG A 18 98.162 -1.407 7.623 1.00 0.00 O ATOM 283 CB ARG A 18 95.372 -0.370 6.663 1.00 0.00 C ATOM 284 CG ARG A 18 95.755 0.945 5.976 1.00 0.00 C ATOM 285 CD ARG A 18 94.999 2.102 6.629 1.00 0.00 C ATOM 286 NE ARG A 18 95.150 3.327 5.794 1.00 0.00 N ATOM 287 CZ ARG A 18 95.080 4.508 6.347 1.00 0.00 C ATOM 288 NH1 ARG A 18 95.215 5.579 5.615 1.00 0.00 N ATOM 289 NH2 ARG A 18 94.872 4.617 7.631 1.00 0.00 N ATOM 0 H ARG A 18 95.746 -2.748 7.804 1.00 0.00 H new ATOM 0 HA ARG A 18 96.174 -1.578 5.070 1.00 0.00 H new ATOM 0 HB2 ARG A 18 94.327 -0.606 6.462 1.00 0.00 H new ATOM 0 HB3 ARG A 18 95.474 -0.270 7.744 1.00 0.00 H new ATOM 0 HG2 ARG A 18 96.830 1.109 6.055 1.00 0.00 H new ATOM 0 HG3 ARG A 18 95.517 0.895 4.913 1.00 0.00 H new ATOM 0 HD2 ARG A 18 93.944 1.848 6.734 1.00 0.00 H new ATOM 0 HD3 ARG A 18 95.385 2.283 7.632 1.00 0.00 H new ATOM 0 HE ARG A 18 95.308 3.243 4.790 1.00 0.00 H new ATOM 0 HH11 ARG A 18 95.375 5.494 4.611 1.00 0.00 H new ATOM 0 HH12 ARG A 18 95.160 6.502 6.046 1.00 0.00 H new ATOM 0 HH21 ARG A 18 94.764 3.779 8.203 1.00 0.00 H new ATOM 0 HH22 ARG A 18 94.817 5.540 8.062 1.00 0.00 H new ATOM 303 N VAL A 19 98.486 -0.689 5.573 1.00 0.00 N ATOM 304 CA VAL A 19 99.912 -0.368 5.860 1.00 0.00 C ATOM 305 C VAL A 19 100.004 1.016 6.503 1.00 0.00 C ATOM 306 O VAL A 19 99.339 1.946 6.094 1.00 0.00 O ATOM 307 CB VAL A 19 100.711 -0.370 4.557 1.00 0.00 C ATOM 308 CG1 VAL A 19 100.315 0.848 3.716 1.00 0.00 C ATOM 309 CG2 VAL A 19 102.205 -0.300 4.880 1.00 0.00 C ATOM 0 H VAL A 19 98.179 -0.487 4.622 1.00 0.00 H new ATOM 0 HA VAL A 19 100.319 -1.117 6.539 1.00 0.00 H new ATOM 0 HB VAL A 19 100.499 -1.282 3.999 1.00 0.00 H new ATOM 0 HG11 VAL A 19 100.884 0.849 2.786 1.00 0.00 H new ATOM 0 HG12 VAL A 19 99.250 0.803 3.490 1.00 0.00 H new ATOM 0 HG13 VAL A 19 100.529 1.760 4.273 1.00 0.00 H new ATOM 0 HG21 VAL A 19 102.778 -0.301 3.953 1.00 0.00 H new ATOM 0 HG22 VAL A 19 102.415 0.614 5.435 1.00 0.00 H new ATOM 0 HG23 VAL A 19 102.488 -1.163 5.483 1.00 0.00 H new ATOM 319 N GLU A 20 100.831 1.161 7.500 1.00 0.00 N ATOM 320 CA GLU A 20 100.970 2.487 8.160 1.00 0.00 C ATOM 321 C GLU A 20 102.039 3.299 7.428 1.00 0.00 C ATOM 322 O GLU A 20 102.927 2.754 6.803 1.00 0.00 O ATOM 323 CB GLU A 20 101.385 2.294 9.619 1.00 0.00 C ATOM 324 CG GLU A 20 100.974 3.521 10.435 1.00 0.00 C ATOM 325 CD GLU A 20 101.242 3.261 11.919 1.00 0.00 C ATOM 326 OE1 GLU A 20 100.477 2.525 12.519 1.00 0.00 O ATOM 327 OE2 GLU A 20 102.210 3.803 12.429 1.00 0.00 O ATOM 0 H GLU A 20 101.416 0.419 7.885 1.00 0.00 H new ATOM 0 HA GLU A 20 100.017 3.015 8.125 1.00 0.00 H new ATOM 0 HB2 GLU A 20 100.914 1.399 10.026 1.00 0.00 H new ATOM 0 HB3 GLU A 20 102.463 2.145 9.685 1.00 0.00 H new ATOM 0 HG2 GLU A 20 101.532 4.396 10.102 1.00 0.00 H new ATOM 0 HG3 GLU A 20 99.917 3.738 10.278 1.00 0.00 H new ATOM 334 N LYS A 21 101.959 4.599 7.498 1.00 0.00 N ATOM 335 CA LYS A 21 102.966 5.451 6.805 1.00 0.00 C ATOM 336 C LYS A 21 104.360 4.836 6.966 1.00 0.00 C ATOM 337 O LYS A 21 105.265 5.122 6.206 1.00 0.00 O ATOM 338 CB LYS A 21 102.955 6.852 7.419 1.00 0.00 C ATOM 339 CG LYS A 21 101.746 7.629 6.893 1.00 0.00 C ATOM 340 CD LYS A 21 101.732 9.029 7.508 1.00 0.00 C ATOM 341 CE LYS A 21 100.843 9.948 6.668 1.00 0.00 C ATOM 342 NZ LYS A 21 99.558 9.256 6.365 1.00 0.00 N ATOM 0 H LYS A 21 101.237 5.110 8.007 1.00 0.00 H new ATOM 0 HA LYS A 21 102.719 5.514 5.745 1.00 0.00 H new ATOM 0 HB2 LYS A 21 102.912 6.784 8.506 1.00 0.00 H new ATOM 0 HB3 LYS A 21 103.876 7.378 7.168 1.00 0.00 H new ATOM 0 HG2 LYS A 21 101.790 7.698 5.806 1.00 0.00 H new ATOM 0 HG3 LYS A 21 100.825 7.102 7.142 1.00 0.00 H new ATOM 0 HD2 LYS A 21 101.361 8.984 8.532 1.00 0.00 H new ATOM 0 HD3 LYS A 21 102.745 9.428 7.553 1.00 0.00 H new ATOM 0 HE2 LYS A 21 100.650 10.876 7.206 1.00 0.00 H new ATOM 0 HE3 LYS A 21 101.351 10.216 5.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 98.833 9.961 6.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 99.694 8.607 5.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 99.249 8.717 7.199 1.00 0.00 H new ATOM 356 N PHE A 22 104.542 3.993 7.947 1.00 0.00 N ATOM 357 CA PHE A 22 105.878 3.365 8.147 1.00 0.00 C ATOM 358 C PHE A 22 105.730 2.095 8.992 1.00 0.00 C ATOM 359 O PHE A 22 106.671 1.637 9.607 1.00 0.00 O ATOM 360 CB PHE A 22 106.801 4.352 8.866 1.00 0.00 C ATOM 361 CG PHE A 22 107.199 5.453 7.915 1.00 0.00 C ATOM 362 CD1 PHE A 22 108.126 5.199 6.897 1.00 0.00 C ATOM 363 CD2 PHE A 22 106.642 6.730 8.051 1.00 0.00 C ATOM 364 CE1 PHE A 22 108.495 6.221 6.015 1.00 0.00 C ATOM 365 CE2 PHE A 22 107.012 7.753 7.169 1.00 0.00 C ATOM 366 CZ PHE A 22 107.938 7.498 6.151 1.00 0.00 C ATOM 0 H PHE A 22 103.825 3.713 8.616 1.00 0.00 H new ATOM 0 HA PHE A 22 106.305 3.105 7.178 1.00 0.00 H new ATOM 0 HB2 PHE A 22 106.295 4.773 9.735 1.00 0.00 H new ATOM 0 HB3 PHE A 22 107.688 3.836 9.233 1.00 0.00 H new ATOM 0 HD1 PHE A 22 108.556 4.214 6.792 1.00 0.00 H new ATOM 0 HD2 PHE A 22 105.927 6.926 8.836 1.00 0.00 H new ATOM 0 HE1 PHE A 22 109.210 6.024 5.229 1.00 0.00 H new ATOM 0 HE2 PHE A 22 106.583 8.738 7.274 1.00 0.00 H new ATOM 0 HZ PHE A 22 108.223 8.287 5.470 1.00 0.00 H new ATOM 376 N ASP A 23 104.557 1.525 9.026 1.00 0.00 N ATOM 377 CA ASP A 23 104.353 0.287 9.830 1.00 0.00 C ATOM 378 C ASP A 23 103.101 -0.441 9.335 1.00 0.00 C ATOM 379 O ASP A 23 102.950 -0.704 8.159 1.00 0.00 O ATOM 380 CB ASP A 23 104.181 0.656 11.306 1.00 0.00 C ATOM 381 CG ASP A 23 105.177 1.753 11.684 1.00 0.00 C ATOM 382 OD1 ASP A 23 104.796 2.910 11.646 1.00 0.00 O ATOM 383 OD2 ASP A 23 106.305 1.416 12.004 1.00 0.00 O ATOM 0 H ASP A 23 103.731 1.863 8.532 1.00 0.00 H new ATOM 0 HA ASP A 23 105.220 -0.364 9.720 1.00 0.00 H new ATOM 0 HB2 ASP A 23 103.162 0.998 11.489 1.00 0.00 H new ATOM 0 HB3 ASP A 23 104.339 -0.223 11.931 1.00 0.00 H new ATOM 388 N LEU A 24 102.200 -0.768 10.223 1.00 0.00 N ATOM 389 CA LEU A 24 100.962 -1.479 9.798 1.00 0.00 C ATOM 390 C LEU A 24 99.784 -1.023 10.666 1.00 0.00 C ATOM 391 O LEU A 24 99.937 -0.733 11.836 1.00 0.00 O ATOM 392 CB LEU A 24 101.159 -2.990 9.963 1.00 0.00 C ATOM 393 CG LEU A 24 101.645 -3.593 8.644 1.00 0.00 C ATOM 394 CD1 LEU A 24 102.373 -4.909 8.920 1.00 0.00 C ATOM 395 CD2 LEU A 24 100.445 -3.858 7.732 1.00 0.00 C ATOM 0 H LEU A 24 102.269 -0.573 11.222 1.00 0.00 H new ATOM 0 HA LEU A 24 100.754 -1.249 8.753 1.00 0.00 H new ATOM 0 HB2 LEU A 24 101.883 -3.188 10.753 1.00 0.00 H new ATOM 0 HB3 LEU A 24 100.222 -3.458 10.265 1.00 0.00 H new ATOM 0 HG LEU A 24 102.327 -2.896 8.157 1.00 0.00 H new ATOM 0 HD11 LEU A 24 102.719 -5.338 7.979 1.00 0.00 H new ATOM 0 HD12 LEU A 24 103.228 -4.722 9.570 1.00 0.00 H new ATOM 0 HD13 LEU A 24 101.692 -5.606 9.408 1.00 0.00 H new ATOM 0 HD21 LEU A 24 100.790 -4.288 6.792 1.00 0.00 H new ATOM 0 HD22 LEU A 24 99.763 -4.554 8.221 1.00 0.00 H new ATOM 0 HD23 LEU A 24 99.925 -2.921 7.533 1.00 0.00 H new ATOM 407 N VAL A 25 98.609 -0.960 10.099 1.00 0.00 N ATOM 408 CA VAL A 25 97.419 -0.527 10.883 1.00 0.00 C ATOM 409 C VAL A 25 96.279 -1.526 10.651 1.00 0.00 C ATOM 410 O VAL A 25 96.008 -1.908 9.530 1.00 0.00 O ATOM 411 CB VAL A 25 96.980 0.863 10.417 1.00 0.00 C ATOM 412 CG1 VAL A 25 96.136 1.529 11.506 1.00 0.00 C ATOM 413 CG2 VAL A 25 98.217 1.720 10.140 1.00 0.00 C ATOM 0 H VAL A 25 98.423 -1.191 9.123 1.00 0.00 H new ATOM 0 HA VAL A 25 97.669 -0.490 11.943 1.00 0.00 H new ATOM 0 HB VAL A 25 96.387 0.768 9.507 1.00 0.00 H new ATOM 0 HG11 VAL A 25 95.825 2.519 11.171 1.00 0.00 H new ATOM 0 HG12 VAL A 25 95.254 0.920 11.706 1.00 0.00 H new ATOM 0 HG13 VAL A 25 96.727 1.623 12.417 1.00 0.00 H new ATOM 0 HG21 VAL A 25 97.906 2.711 9.808 1.00 0.00 H new ATOM 0 HG22 VAL A 25 98.808 1.812 11.051 1.00 0.00 H new ATOM 0 HG23 VAL A 25 98.819 1.249 9.363 1.00 0.00 H new ATOM 423 N PRO A 26 95.616 -1.951 11.698 1.00 0.00 N ATOM 424 CA PRO A 26 94.493 -2.927 11.590 1.00 0.00 C ATOM 425 C PRO A 26 93.230 -2.301 10.989 1.00 0.00 C ATOM 426 O PRO A 26 92.945 -1.137 11.192 1.00 0.00 O ATOM 427 CB PRO A 26 94.241 -3.356 13.036 1.00 0.00 C ATOM 428 CG PRO A 26 94.731 -2.223 13.876 1.00 0.00 C ATOM 429 CD PRO A 26 95.862 -1.553 13.094 1.00 0.00 C ATOM 0 HA PRO A 26 94.743 -3.755 10.927 1.00 0.00 H new ATOM 0 HB2 PRO A 26 93.182 -3.546 13.211 1.00 0.00 H new ATOM 0 HB3 PRO A 26 94.773 -4.278 13.271 1.00 0.00 H new ATOM 0 HG2 PRO A 26 93.927 -1.515 14.077 1.00 0.00 H new ATOM 0 HG3 PRO A 26 95.088 -2.583 14.841 1.00 0.00 H new ATOM 0 HD2 PRO A 26 95.840 -0.469 13.210 1.00 0.00 H new ATOM 0 HD3 PRO A 26 96.840 -1.890 13.439 1.00 0.00 H new ATOM 437 N VAL A 27 92.471 -3.068 10.255 1.00 0.00 N ATOM 438 CA VAL A 27 91.225 -2.529 9.641 1.00 0.00 C ATOM 439 C VAL A 27 90.019 -3.315 10.170 1.00 0.00 C ATOM 440 O VAL A 27 89.792 -4.443 9.781 1.00 0.00 O ATOM 441 CB VAL A 27 91.300 -2.685 8.121 1.00 0.00 C ATOM 442 CG1 VAL A 27 90.290 -1.743 7.460 1.00 0.00 C ATOM 443 CG2 VAL A 27 92.711 -2.335 7.642 1.00 0.00 C ATOM 0 H VAL A 27 92.662 -4.050 10.053 1.00 0.00 H new ATOM 0 HA VAL A 27 91.118 -1.475 9.896 1.00 0.00 H new ATOM 0 HB VAL A 27 91.068 -3.715 7.850 1.00 0.00 H new ATOM 0 HG11 VAL A 27 90.344 -1.854 6.377 1.00 0.00 H new ATOM 0 HG12 VAL A 27 89.285 -1.990 7.801 1.00 0.00 H new ATOM 0 HG13 VAL A 27 90.522 -0.713 7.731 1.00 0.00 H new ATOM 0 HG21 VAL A 27 92.766 -2.446 6.559 1.00 0.00 H new ATOM 0 HG22 VAL A 27 92.942 -1.305 7.913 1.00 0.00 H new ATOM 0 HG23 VAL A 27 93.431 -3.005 8.112 1.00 0.00 H new ATOM 453 N PRO A 28 89.253 -2.729 11.057 1.00 0.00 N ATOM 454 CA PRO A 28 88.060 -3.396 11.646 1.00 0.00 C ATOM 455 C PRO A 28 86.843 -3.346 10.717 1.00 0.00 C ATOM 456 O PRO A 28 86.666 -2.417 9.951 1.00 0.00 O ATOM 457 CB PRO A 28 87.796 -2.593 12.920 1.00 0.00 C ATOM 458 CG PRO A 28 88.332 -1.225 12.647 1.00 0.00 C ATOM 459 CD PRO A 28 89.437 -1.370 11.595 1.00 0.00 C ATOM 0 HA PRO A 28 88.235 -4.457 11.824 1.00 0.00 H new ATOM 0 HB2 PRO A 28 86.731 -2.559 13.149 1.00 0.00 H new ATOM 0 HB3 PRO A 28 88.292 -3.045 13.779 1.00 0.00 H new ATOM 0 HG2 PRO A 28 87.541 -0.568 12.286 1.00 0.00 H new ATOM 0 HG3 PRO A 28 88.726 -0.778 13.559 1.00 0.00 H new ATOM 0 HD2 PRO A 28 89.343 -0.617 10.813 1.00 0.00 H new ATOM 0 HD3 PRO A 28 90.426 -1.248 12.037 1.00 0.00 H new ATOM 467 N THR A 29 86.000 -4.342 10.779 1.00 0.00 N ATOM 468 CA THR A 29 84.797 -4.355 9.903 1.00 0.00 C ATOM 469 C THR A 29 83.898 -3.169 10.258 1.00 0.00 C ATOM 470 O THR A 29 82.844 -2.982 9.686 1.00 0.00 O ATOM 471 CB THR A 29 84.026 -5.661 10.115 1.00 0.00 C ATOM 472 OG1 THR A 29 84.745 -6.732 9.520 1.00 0.00 O ATOM 473 CG2 THR A 29 82.643 -5.553 9.472 1.00 0.00 C ATOM 0 H THR A 29 86.094 -5.146 11.399 1.00 0.00 H new ATOM 0 HA THR A 29 85.104 -4.280 8.860 1.00 0.00 H new ATOM 0 HB THR A 29 83.911 -5.846 11.183 1.00 0.00 H new ATOM 0 HG1 THR A 29 84.255 -7.570 9.655 1.00 0.00 H new ATOM 0 HG21 THR A 29 82.097 -6.484 9.625 1.00 0.00 H new ATOM 0 HG22 THR A 29 82.093 -4.730 9.929 1.00 0.00 H new ATOM 0 HG23 THR A 29 82.752 -5.367 8.403 1.00 0.00 H new ATOM 481 N ASN A 30 84.313 -2.363 11.197 1.00 0.00 N ATOM 482 CA ASN A 30 83.485 -1.188 11.585 1.00 0.00 C ATOM 483 C ASN A 30 83.622 -0.098 10.522 1.00 0.00 C ATOM 484 O ASN A 30 82.805 0.797 10.427 1.00 0.00 O ATOM 485 CB ASN A 30 83.967 -0.649 12.934 1.00 0.00 C ATOM 486 CG ASN A 30 83.412 -1.521 14.062 1.00 0.00 C ATOM 487 OD1 ASN A 30 84.153 -2.222 14.723 1.00 0.00 O ATOM 488 ND2 ASN A 30 82.131 -1.509 14.311 1.00 0.00 N ATOM 0 H ASN A 30 85.188 -2.468 11.711 1.00 0.00 H new ATOM 0 HA ASN A 30 82.440 -1.488 11.666 1.00 0.00 H new ATOM 0 HB2 ASN A 30 85.056 -0.644 12.967 1.00 0.00 H new ATOM 0 HB3 ASN A 30 83.639 0.383 13.063 1.00 0.00 H new ATOM 0 HD21 ASN A 30 81.752 -2.088 15.060 1.00 0.00 H new ATOM 0 HD22 ASN A 30 81.509 -0.921 13.756 1.00 0.00 H new ATOM 495 N LEU A 31 84.651 -0.163 9.720 1.00 0.00 N ATOM 496 CA LEU A 31 84.835 0.875 8.668 1.00 0.00 C ATOM 497 C LEU A 31 85.521 0.269 7.437 1.00 0.00 C ATOM 498 O LEU A 31 85.808 0.958 6.479 1.00 0.00 O ATOM 499 CB LEU A 31 85.695 2.013 9.221 1.00 0.00 C ATOM 500 CG LEU A 31 86.959 1.441 9.870 1.00 0.00 C ATOM 501 CD1 LEU A 31 87.897 0.895 8.787 1.00 0.00 C ATOM 502 CD2 LEU A 31 87.671 2.545 10.652 1.00 0.00 C ATOM 0 H LEU A 31 85.369 -0.887 9.748 1.00 0.00 H new ATOM 0 HA LEU A 31 83.858 1.259 8.375 1.00 0.00 H new ATOM 0 HB2 LEU A 31 85.966 2.699 8.419 1.00 0.00 H new ATOM 0 HB3 LEU A 31 85.127 2.587 9.953 1.00 0.00 H new ATOM 0 HG LEU A 31 86.683 0.632 10.547 1.00 0.00 H new ATOM 0 HD11 LEU A 31 88.795 0.489 9.254 1.00 0.00 H new ATOM 0 HD12 LEU A 31 87.390 0.107 8.230 1.00 0.00 H new ATOM 0 HD13 LEU A 31 88.174 1.700 8.106 1.00 0.00 H new ATOM 0 HD21 LEU A 31 88.571 2.140 11.115 1.00 0.00 H new ATOM 0 HD22 LEU A 31 87.944 3.353 9.974 1.00 0.00 H new ATOM 0 HD23 LEU A 31 87.006 2.929 11.426 1.00 0.00 H new ATOM 514 N TYR A 32 85.788 -1.010 7.447 1.00 0.00 N ATOM 515 CA TYR A 32 86.455 -1.635 6.270 1.00 0.00 C ATOM 516 C TYR A 32 85.633 -1.349 5.009 1.00 0.00 C ATOM 517 O TYR A 32 84.548 -0.805 5.073 1.00 0.00 O ATOM 518 CB TYR A 32 86.561 -3.149 6.487 1.00 0.00 C ATOM 519 CG TYR A 32 85.303 -3.828 6.001 1.00 0.00 C ATOM 520 CD1 TYR A 32 84.074 -3.552 6.613 1.00 0.00 C ATOM 521 CD2 TYR A 32 85.365 -4.736 4.936 1.00 0.00 C ATOM 522 CE1 TYR A 32 82.909 -4.181 6.161 1.00 0.00 C ATOM 523 CE2 TYR A 32 84.200 -5.366 4.484 1.00 0.00 C ATOM 524 CZ TYR A 32 82.972 -5.089 5.096 1.00 0.00 C ATOM 525 OH TYR A 32 81.822 -5.710 4.650 1.00 0.00 O ATOM 0 H TYR A 32 85.574 -1.645 8.216 1.00 0.00 H new ATOM 0 HA TYR A 32 87.455 -1.218 6.152 1.00 0.00 H new ATOM 0 HB2 TYR A 32 87.426 -3.542 5.953 1.00 0.00 H new ATOM 0 HB3 TYR A 32 86.715 -3.364 7.545 1.00 0.00 H new ATOM 0 HD1 TYR A 32 84.026 -2.853 7.435 1.00 0.00 H new ATOM 0 HD2 TYR A 32 86.312 -4.950 4.464 1.00 0.00 H new ATOM 0 HE1 TYR A 32 81.961 -3.967 6.633 1.00 0.00 H new ATOM 0 HE2 TYR A 32 84.248 -6.066 3.663 1.00 0.00 H new ATOM 0 HH TYR A 32 81.053 -5.121 4.800 1.00 0.00 H new ATOM 535 N GLY A 33 86.140 -1.713 3.863 1.00 0.00 N ATOM 536 CA GLY A 33 85.387 -1.462 2.601 1.00 0.00 C ATOM 537 C GLY A 33 85.872 -0.157 1.967 1.00 0.00 C ATOM 538 O GLY A 33 85.880 -0.010 0.760 1.00 0.00 O ATOM 0 H GLY A 33 87.043 -2.173 3.746 1.00 0.00 H new ATOM 0 HA2 GLY A 33 85.532 -2.291 1.908 1.00 0.00 H new ATOM 0 HA3 GLY A 33 84.319 -1.403 2.808 1.00 0.00 H new ATOM 542 N ASP A 34 86.272 0.790 2.768 1.00 0.00 N ATOM 543 CA ASP A 34 86.756 2.084 2.208 1.00 0.00 C ATOM 544 C ASP A 34 88.285 2.091 2.185 1.00 0.00 C ATOM 545 O ASP A 34 88.928 2.321 3.190 1.00 0.00 O ATOM 546 CB ASP A 34 86.253 3.237 3.082 1.00 0.00 C ATOM 547 CG ASP A 34 84.770 3.028 3.398 1.00 0.00 C ATOM 548 OD1 ASP A 34 84.367 3.364 4.498 1.00 0.00 O ATOM 549 OD2 ASP A 34 84.064 2.536 2.533 1.00 0.00 O ATOM 0 H ASP A 34 86.285 0.725 3.786 1.00 0.00 H new ATOM 0 HA ASP A 34 86.378 2.205 1.193 1.00 0.00 H new ATOM 0 HB2 ASP A 34 86.829 3.285 4.006 1.00 0.00 H new ATOM 0 HB3 ASP A 34 86.396 4.187 2.567 1.00 0.00 H new ATOM 554 N PHE A 35 88.872 1.842 1.047 1.00 0.00 N ATOM 555 CA PHE A 35 90.360 1.835 0.963 1.00 0.00 C ATOM 556 C PHE A 35 90.863 3.256 0.696 1.00 0.00 C ATOM 557 O PHE A 35 90.307 3.982 -0.104 1.00 0.00 O ATOM 558 CB PHE A 35 90.803 0.916 -0.177 1.00 0.00 C ATOM 559 CG PHE A 35 90.180 -0.447 0.004 1.00 0.00 C ATOM 560 CD1 PHE A 35 90.917 -1.480 0.595 1.00 0.00 C ATOM 561 CD2 PHE A 35 88.865 -0.680 -0.419 1.00 0.00 C ATOM 562 CE1 PHE A 35 90.340 -2.744 0.764 1.00 0.00 C ATOM 563 CE2 PHE A 35 88.288 -1.943 -0.250 1.00 0.00 C ATOM 564 CZ PHE A 35 89.026 -2.976 0.341 1.00 0.00 C ATOM 0 H PHE A 35 88.386 1.643 0.172 1.00 0.00 H new ATOM 0 HA PHE A 35 90.774 1.473 1.904 1.00 0.00 H new ATOM 0 HB2 PHE A 35 90.505 1.339 -1.136 1.00 0.00 H new ATOM 0 HB3 PHE A 35 91.890 0.832 -0.189 1.00 0.00 H new ATOM 0 HD1 PHE A 35 91.931 -1.302 0.921 1.00 0.00 H new ATOM 0 HD2 PHE A 35 88.296 0.116 -0.876 1.00 0.00 H new ATOM 0 HE1 PHE A 35 90.909 -3.540 1.221 1.00 0.00 H new ATOM 0 HE2 PHE A 35 87.274 -2.121 -0.575 1.00 0.00 H new ATOM 0 HZ PHE A 35 88.581 -3.952 0.470 1.00 0.00 H new ATOM 574 N PHE A 36 91.910 3.659 1.363 1.00 0.00 N ATOM 575 CA PHE A 36 92.446 5.032 1.147 1.00 0.00 C ATOM 576 C PHE A 36 93.459 5.009 -0.002 1.00 0.00 C ATOM 577 O PHE A 36 94.349 4.185 -0.040 1.00 0.00 O ATOM 578 CB PHE A 36 93.136 5.517 2.425 1.00 0.00 C ATOM 579 CG PHE A 36 92.117 6.156 3.337 1.00 0.00 C ATOM 580 CD1 PHE A 36 90.924 5.487 3.633 1.00 0.00 C ATOM 581 CD2 PHE A 36 92.366 7.419 3.888 1.00 0.00 C ATOM 582 CE1 PHE A 36 89.978 6.080 4.478 1.00 0.00 C ATOM 583 CE2 PHE A 36 91.421 8.012 4.735 1.00 0.00 C ATOM 584 CZ PHE A 36 90.227 7.343 5.029 1.00 0.00 C ATOM 0 H PHE A 36 92.417 3.097 2.047 1.00 0.00 H new ATOM 0 HA PHE A 36 91.627 5.707 0.897 1.00 0.00 H new ATOM 0 HB2 PHE A 36 93.618 4.680 2.931 1.00 0.00 H new ATOM 0 HB3 PHE A 36 93.919 6.234 2.178 1.00 0.00 H new ATOM 0 HD1 PHE A 36 90.733 4.512 3.209 1.00 0.00 H new ATOM 0 HD2 PHE A 36 93.286 7.936 3.660 1.00 0.00 H new ATOM 0 HE1 PHE A 36 89.057 5.564 4.705 1.00 0.00 H new ATOM 0 HE2 PHE A 36 91.614 8.985 5.161 1.00 0.00 H new ATOM 0 HZ PHE A 36 89.498 7.801 5.681 1.00 0.00 H new ATOM 594 N THR A 37 93.328 5.911 -0.936 1.00 0.00 N ATOM 595 CA THR A 37 94.282 5.940 -2.080 1.00 0.00 C ATOM 596 C THR A 37 95.628 6.494 -1.606 1.00 0.00 C ATOM 597 O THR A 37 96.598 6.504 -2.338 1.00 0.00 O ATOM 598 CB THR A 37 93.722 6.837 -3.186 1.00 0.00 C ATOM 599 OG1 THR A 37 93.829 8.198 -2.791 1.00 0.00 O ATOM 600 CG2 THR A 37 92.254 6.489 -3.434 1.00 0.00 C ATOM 0 H THR A 37 92.603 6.628 -0.956 1.00 0.00 H new ATOM 0 HA THR A 37 94.420 4.930 -2.466 1.00 0.00 H new ATOM 0 HB THR A 37 94.290 6.680 -4.103 1.00 0.00 H new ATOM 0 HG1 THR A 37 93.472 8.773 -3.500 1.00 0.00 H new ATOM 0 HG21 THR A 37 91.857 7.129 -4.222 1.00 0.00 H new ATOM 0 HG22 THR A 37 92.174 5.446 -3.739 1.00 0.00 H new ATOM 0 HG23 THR A 37 91.684 6.644 -2.518 1.00 0.00 H new ATOM 608 N GLY A 38 95.695 6.955 -0.387 1.00 0.00 N ATOM 609 CA GLY A 38 96.978 7.508 0.132 1.00 0.00 C ATOM 610 C GLY A 38 97.706 6.433 0.942 1.00 0.00 C ATOM 611 O GLY A 38 98.558 6.728 1.758 1.00 0.00 O ATOM 0 H GLY A 38 94.917 6.973 0.272 1.00 0.00 H new ATOM 0 HA2 GLY A 38 97.604 7.841 -0.696 1.00 0.00 H new ATOM 0 HA3 GLY A 38 96.784 8.380 0.756 1.00 0.00 H new ATOM 615 N ASP A 39 97.376 5.190 0.726 1.00 0.00 N ATOM 616 CA ASP A 39 98.050 4.098 1.484 1.00 0.00 C ATOM 617 C ASP A 39 97.723 2.751 0.836 1.00 0.00 C ATOM 618 O ASP A 39 96.643 2.548 0.315 1.00 0.00 O ATOM 619 CB ASP A 39 97.556 4.101 2.931 1.00 0.00 C ATOM 620 CG ASP A 39 98.356 5.120 3.743 1.00 0.00 C ATOM 621 OD1 ASP A 39 99.571 5.020 3.749 1.00 0.00 O ATOM 622 OD2 ASP A 39 97.739 5.985 4.344 1.00 0.00 O ATOM 0 H ASP A 39 96.669 4.883 0.058 1.00 0.00 H new ATOM 0 HA ASP A 39 99.128 4.257 1.468 1.00 0.00 H new ATOM 0 HB2 ASP A 39 96.495 4.348 2.963 1.00 0.00 H new ATOM 0 HB3 ASP A 39 97.666 3.107 3.366 1.00 0.00 H new ATOM 627 N ALA A 40 98.645 1.828 0.863 1.00 0.00 N ATOM 628 CA ALA A 40 98.384 0.497 0.250 1.00 0.00 C ATOM 629 C ALA A 40 97.800 -0.443 1.306 1.00 0.00 C ATOM 630 O ALA A 40 98.094 -0.334 2.479 1.00 0.00 O ATOM 631 CB ALA A 40 99.696 -0.086 -0.282 1.00 0.00 C ATOM 0 H ALA A 40 99.568 1.939 1.283 1.00 0.00 H new ATOM 0 HA ALA A 40 97.676 0.607 -0.571 1.00 0.00 H new ATOM 0 HB1 ALA A 40 99.505 -1.061 -0.731 1.00 0.00 H new ATOM 0 HB2 ALA A 40 100.114 0.584 -1.033 1.00 0.00 H new ATOM 0 HB3 ALA A 40 100.404 -0.197 0.539 1.00 0.00 H new ATOM 637 N TYR A 41 96.973 -1.368 0.897 1.00 0.00 N ATOM 638 CA TYR A 41 96.369 -2.316 1.877 1.00 0.00 C ATOM 639 C TYR A 41 96.822 -3.740 1.550 1.00 0.00 C ATOM 640 O TYR A 41 96.884 -4.133 0.402 1.00 0.00 O ATOM 641 CB TYR A 41 94.843 -2.237 1.789 1.00 0.00 C ATOM 642 CG TYR A 41 94.371 -0.925 2.368 1.00 0.00 C ATOM 643 CD1 TYR A 41 94.696 0.278 1.731 1.00 0.00 C ATOM 644 CD2 TYR A 41 93.610 -0.912 3.543 1.00 0.00 C ATOM 645 CE1 TYR A 41 94.258 1.495 2.270 1.00 0.00 C ATOM 646 CE2 TYR A 41 93.172 0.303 4.081 1.00 0.00 C ATOM 647 CZ TYR A 41 93.496 1.507 3.444 1.00 0.00 C ATOM 648 OH TYR A 41 93.064 2.706 3.974 1.00 0.00 O ATOM 0 H TYR A 41 96.690 -1.508 -0.073 1.00 0.00 H new ATOM 0 HA TYR A 41 96.690 -2.052 2.885 1.00 0.00 H new ATOM 0 HB2 TYR A 41 94.523 -2.324 0.751 1.00 0.00 H new ATOM 0 HB3 TYR A 41 94.394 -3.069 2.332 1.00 0.00 H new ATOM 0 HD1 TYR A 41 95.284 0.268 0.825 1.00 0.00 H new ATOM 0 HD2 TYR A 41 93.361 -1.841 4.035 1.00 0.00 H new ATOM 0 HE1 TYR A 41 94.508 2.424 1.779 1.00 0.00 H new ATOM 0 HE2 TYR A 41 92.584 0.312 4.987 1.00 0.00 H new ATOM 0 HH TYR A 41 92.547 2.536 4.789 1.00 0.00 H new ATOM 658 N VAL A 42 97.137 -4.520 2.550 1.00 0.00 N ATOM 659 CA VAL A 42 97.580 -5.913 2.299 1.00 0.00 C ATOM 660 C VAL A 42 96.446 -6.860 2.676 1.00 0.00 C ATOM 661 O VAL A 42 95.889 -6.768 3.752 1.00 0.00 O ATOM 662 CB VAL A 42 98.783 -6.217 3.177 1.00 0.00 C ATOM 663 CG1 VAL A 42 99.880 -6.883 2.340 1.00 0.00 C ATOM 664 CG2 VAL A 42 99.324 -4.918 3.779 1.00 0.00 C ATOM 0 H VAL A 42 97.105 -4.247 3.532 1.00 0.00 H new ATOM 0 HA VAL A 42 97.845 -6.038 1.249 1.00 0.00 H new ATOM 0 HB VAL A 42 98.478 -6.890 3.978 1.00 0.00 H new ATOM 0 HG11 VAL A 42 100.740 -7.099 2.973 1.00 0.00 H new ATOM 0 HG12 VAL A 42 99.500 -7.812 1.915 1.00 0.00 H new ATOM 0 HG13 VAL A 42 100.181 -6.212 1.535 1.00 0.00 H new ATOM 0 HG21 VAL A 42 100.186 -5.140 4.408 1.00 0.00 H new ATOM 0 HG22 VAL A 42 99.623 -4.243 2.978 1.00 0.00 H new ATOM 0 HG23 VAL A 42 98.548 -4.445 4.381 1.00 0.00 H new ATOM 674 N ILE A 43 96.089 -7.760 1.806 1.00 0.00 N ATOM 675 CA ILE A 43 94.977 -8.691 2.132 1.00 0.00 C ATOM 676 C ILE A 43 95.426 -10.142 1.953 1.00 0.00 C ATOM 677 O ILE A 43 96.044 -10.500 0.970 1.00 0.00 O ATOM 678 CB ILE A 43 93.791 -8.396 1.213 1.00 0.00 C ATOM 679 CG1 ILE A 43 93.916 -6.976 0.643 1.00 0.00 C ATOM 680 CG2 ILE A 43 92.498 -8.508 2.014 1.00 0.00 C ATOM 681 CD1 ILE A 43 93.983 -5.953 1.784 1.00 0.00 C ATOM 0 H ILE A 43 96.516 -7.891 0.889 1.00 0.00 H new ATOM 0 HA ILE A 43 94.682 -8.547 3.171 1.00 0.00 H new ATOM 0 HB ILE A 43 93.781 -9.113 0.392 1.00 0.00 H new ATOM 0 HG12 ILE A 43 94.811 -6.902 0.025 1.00 0.00 H new ATOM 0 HG13 ILE A 43 93.064 -6.758 -0.001 1.00 0.00 H new ATOM 0 HG21 ILE A 43 91.648 -8.299 1.364 1.00 0.00 H new ATOM 0 HG22 ILE A 43 92.406 -9.516 2.418 1.00 0.00 H new ATOM 0 HG23 ILE A 43 92.514 -7.789 2.833 1.00 0.00 H new ATOM 0 HD11 ILE A 43 94.072 -4.949 1.368 1.00 0.00 H new ATOM 0 HD12 ILE A 43 93.076 -6.018 2.385 1.00 0.00 H new ATOM 0 HD13 ILE A 43 94.849 -6.164 2.411 1.00 0.00 H new ATOM 693 N LEU A 44 95.112 -10.978 2.905 1.00 0.00 N ATOM 694 CA LEU A 44 95.507 -12.412 2.814 1.00 0.00 C ATOM 695 C LEU A 44 94.247 -13.273 2.711 1.00 0.00 C ATOM 696 O LEU A 44 93.440 -13.319 3.618 1.00 0.00 O ATOM 697 CB LEU A 44 96.298 -12.801 4.068 1.00 0.00 C ATOM 698 CG LEU A 44 96.786 -14.250 3.946 1.00 0.00 C ATOM 699 CD1 LEU A 44 98.195 -14.369 4.533 1.00 0.00 C ATOM 700 CD2 LEU A 44 95.839 -15.178 4.716 1.00 0.00 C ATOM 0 H LEU A 44 94.595 -10.727 3.748 1.00 0.00 H new ATOM 0 HA LEU A 44 96.129 -12.570 1.933 1.00 0.00 H new ATOM 0 HB2 LEU A 44 97.148 -12.131 4.195 1.00 0.00 H new ATOM 0 HB3 LEU A 44 95.671 -12.692 4.953 1.00 0.00 H new ATOM 0 HG LEU A 44 96.803 -14.535 2.894 1.00 0.00 H new ATOM 0 HD11 LEU A 44 98.540 -15.399 4.445 1.00 0.00 H new ATOM 0 HD12 LEU A 44 98.873 -13.712 3.988 1.00 0.00 H new ATOM 0 HD13 LEU A 44 98.177 -14.081 5.584 1.00 0.00 H new ATOM 0 HD21 LEU A 44 96.187 -16.207 4.628 1.00 0.00 H new ATOM 0 HD22 LEU A 44 95.821 -14.889 5.767 1.00 0.00 H new ATOM 0 HD23 LEU A 44 94.834 -15.098 4.301 1.00 0.00 H new ATOM 712 N LYS A 45 94.068 -13.953 1.612 1.00 0.00 N ATOM 713 CA LYS A 45 92.854 -14.804 1.455 1.00 0.00 C ATOM 714 C LYS A 45 93.164 -16.229 1.921 1.00 0.00 C ATOM 715 O LYS A 45 93.964 -16.925 1.329 1.00 0.00 O ATOM 716 CB LYS A 45 92.431 -14.823 -0.016 1.00 0.00 C ATOM 717 CG LYS A 45 91.467 -15.985 -0.259 1.00 0.00 C ATOM 718 CD LYS A 45 90.586 -15.674 -1.472 1.00 0.00 C ATOM 719 CE LYS A 45 89.855 -16.944 -1.912 1.00 0.00 C ATOM 720 NZ LYS A 45 90.833 -17.902 -2.502 1.00 0.00 N ATOM 0 H LYS A 45 94.708 -13.957 0.818 1.00 0.00 H new ATOM 0 HA LYS A 45 92.043 -14.396 2.059 1.00 0.00 H new ATOM 0 HB2 LYS A 45 91.953 -13.880 -0.279 1.00 0.00 H new ATOM 0 HB3 LYS A 45 93.308 -14.925 -0.655 1.00 0.00 H new ATOM 0 HG2 LYS A 45 92.026 -16.905 -0.429 1.00 0.00 H new ATOM 0 HG3 LYS A 45 90.846 -16.147 0.622 1.00 0.00 H new ATOM 0 HD2 LYS A 45 89.865 -14.896 -1.221 1.00 0.00 H new ATOM 0 HD3 LYS A 45 91.197 -15.292 -2.290 1.00 0.00 H new ATOM 0 HE2 LYS A 45 89.352 -17.400 -1.060 1.00 0.00 H new ATOM 0 HE3 LYS A 45 89.085 -16.698 -2.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 90.321 -18.678 -2.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 91.423 -17.409 -3.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 91.438 -18.288 -1.749 1.00 0.00 H new ATOM 734 N THR A 46 92.536 -16.670 2.979 1.00 0.00 N ATOM 735 CA THR A 46 92.794 -18.050 3.482 1.00 0.00 C ATOM 736 C THR A 46 91.532 -18.897 3.320 1.00 0.00 C ATOM 737 O THR A 46 90.455 -18.505 3.727 1.00 0.00 O ATOM 738 CB THR A 46 93.179 -17.989 4.964 1.00 0.00 C ATOM 739 OG1 THR A 46 93.884 -16.784 5.221 1.00 0.00 O ATOM 740 CG2 THR A 46 94.065 -19.186 5.315 1.00 0.00 C ATOM 0 H THR A 46 91.855 -16.133 3.516 1.00 0.00 H new ATOM 0 HA THR A 46 93.608 -18.498 2.912 1.00 0.00 H new ATOM 0 HB THR A 46 92.276 -18.018 5.574 1.00 0.00 H new ATOM 0 HG1 THR A 46 94.129 -16.744 6.169 1.00 0.00 H new ATOM 0 HG21 THR A 46 94.337 -19.140 6.369 1.00 0.00 H new ATOM 0 HG22 THR A 46 93.521 -20.111 5.120 1.00 0.00 H new ATOM 0 HG23 THR A 46 94.968 -19.161 4.706 1.00 0.00 H new ATOM 748 N VAL A 47 91.648 -20.057 2.727 1.00 0.00 N ATOM 749 CA VAL A 47 90.455 -20.921 2.539 1.00 0.00 C ATOM 750 C VAL A 47 90.788 -22.341 2.982 1.00 0.00 C ATOM 751 O VAL A 47 91.930 -22.678 3.200 1.00 0.00 O ATOM 752 CB VAL A 47 90.071 -20.943 1.066 1.00 0.00 C ATOM 753 CG1 VAL A 47 88.553 -21.074 0.928 1.00 0.00 C ATOM 754 CG2 VAL A 47 90.537 -19.649 0.395 1.00 0.00 C ATOM 0 H VAL A 47 92.522 -20.440 2.366 1.00 0.00 H new ATOM 0 HA VAL A 47 89.628 -20.529 3.131 1.00 0.00 H new ATOM 0 HB VAL A 47 90.550 -21.795 0.583 1.00 0.00 H new ATOM 0 HG11 VAL A 47 88.284 -21.089 -0.128 1.00 0.00 H new ATOM 0 HG12 VAL A 47 88.223 -22.000 1.400 1.00 0.00 H new ATOM 0 HG13 VAL A 47 88.069 -20.227 1.414 1.00 0.00 H new ATOM 0 HG21 VAL A 47 90.261 -19.666 -0.659 1.00 0.00 H new ATOM 0 HG22 VAL A 47 90.062 -18.796 0.880 1.00 0.00 H new ATOM 0 HG23 VAL A 47 91.620 -19.562 0.486 1.00 0.00 H new ATOM 764 N GLN A 48 89.798 -23.174 3.102 1.00 0.00 N ATOM 765 CA GLN A 48 90.047 -24.582 3.520 1.00 0.00 C ATOM 766 C GLN A 48 90.075 -25.482 2.283 1.00 0.00 C ATOM 767 O GLN A 48 89.096 -25.608 1.574 1.00 0.00 O ATOM 768 CB GLN A 48 88.930 -25.042 4.461 1.00 0.00 C ATOM 769 CG GLN A 48 89.219 -26.468 4.937 1.00 0.00 C ATOM 770 CD GLN A 48 88.538 -26.705 6.286 1.00 0.00 C ATOM 771 OE1 GLN A 48 89.059 -26.329 7.317 1.00 0.00 O ATOM 772 NE2 GLN A 48 87.385 -27.316 6.323 1.00 0.00 N ATOM 0 H GLN A 48 88.820 -22.942 2.928 1.00 0.00 H new ATOM 0 HA GLN A 48 91.004 -24.644 4.037 1.00 0.00 H new ATOM 0 HB2 GLN A 48 88.860 -24.369 5.316 1.00 0.00 H new ATOM 0 HB3 GLN A 48 87.969 -25.006 3.947 1.00 0.00 H new ATOM 0 HG2 GLN A 48 88.856 -27.188 4.203 1.00 0.00 H new ATOM 0 HG3 GLN A 48 90.294 -26.621 5.029 1.00 0.00 H new ATOM 0 HE21 GLN A 48 86.947 -27.632 5.458 1.00 0.00 H new ATOM 0 HE22 GLN A 48 86.922 -27.478 7.217 1.00 0.00 H new ATOM 781 N LEU A 49 91.189 -26.107 2.016 1.00 0.00 N ATOM 782 CA LEU A 49 91.278 -26.995 0.822 1.00 0.00 C ATOM 783 C LEU A 49 90.665 -28.358 1.149 1.00 0.00 C ATOM 784 O LEU A 49 90.516 -28.721 2.299 1.00 0.00 O ATOM 785 CB LEU A 49 92.747 -27.179 0.433 1.00 0.00 C ATOM 786 CG LEU A 49 93.303 -25.858 -0.102 1.00 0.00 C ATOM 787 CD1 LEU A 49 94.818 -25.819 0.113 1.00 0.00 C ATOM 788 CD2 LEU A 49 92.998 -25.745 -1.598 1.00 0.00 C ATOM 0 H LEU A 49 92.041 -26.041 2.573 1.00 0.00 H new ATOM 0 HA LEU A 49 90.734 -26.542 -0.007 1.00 0.00 H new ATOM 0 HB2 LEU A 49 93.325 -27.505 1.298 1.00 0.00 H new ATOM 0 HB3 LEU A 49 92.839 -27.958 -0.324 1.00 0.00 H new ATOM 0 HG LEU A 49 92.838 -25.027 0.428 1.00 0.00 H new ATOM 0 HD11 LEU A 49 95.215 -24.878 -0.268 1.00 0.00 H new ATOM 0 HD12 LEU A 49 95.037 -25.901 1.178 1.00 0.00 H new ATOM 0 HD13 LEU A 49 95.282 -26.650 -0.418 1.00 0.00 H new ATOM 0 HD21 LEU A 49 93.394 -24.804 -1.980 1.00 0.00 H new ATOM 0 HD22 LEU A 49 93.463 -26.576 -2.128 1.00 0.00 H new ATOM 0 HD23 LEU A 49 91.919 -25.774 -1.753 1.00 0.00 H new ATOM 800 N ARG A 50 90.310 -29.114 0.148 1.00 0.00 N ATOM 801 CA ARG A 50 89.710 -30.454 0.401 1.00 0.00 C ATOM 802 C ARG A 50 90.609 -31.238 1.359 1.00 0.00 C ATOM 803 O ARG A 50 90.230 -31.541 2.474 1.00 0.00 O ATOM 804 CB ARG A 50 89.581 -31.215 -0.920 1.00 0.00 C ATOM 805 CG ARG A 50 89.247 -30.234 -2.045 1.00 0.00 C ATOM 806 CD ARG A 50 88.561 -30.983 -3.188 1.00 0.00 C ATOM 807 NE ARG A 50 88.260 -30.031 -4.294 1.00 0.00 N ATOM 808 CZ ARG A 50 87.555 -30.425 -5.319 1.00 0.00 C ATOM 809 NH1 ARG A 50 87.291 -29.591 -6.288 1.00 0.00 N ATOM 810 NH2 ARG A 50 87.116 -31.652 -5.378 1.00 0.00 N ATOM 0 H ARG A 50 90.409 -28.862 -0.835 1.00 0.00 H new ATOM 0 HA ARG A 50 88.722 -30.334 0.845 1.00 0.00 H new ATOM 0 HB2 ARG A 50 90.511 -31.737 -1.143 1.00 0.00 H new ATOM 0 HB3 ARG A 50 88.801 -31.973 -0.841 1.00 0.00 H new ATOM 0 HG2 ARG A 50 88.596 -29.444 -1.671 1.00 0.00 H new ATOM 0 HG3 ARG A 50 90.157 -29.754 -2.405 1.00 0.00 H new ATOM 0 HD2 ARG A 50 89.204 -31.785 -3.549 1.00 0.00 H new ATOM 0 HD3 ARG A 50 87.641 -31.447 -2.833 1.00 0.00 H new ATOM 0 HE ARG A 50 88.605 -29.072 -4.250 1.00 0.00 H new ATOM 0 HH11 ARG A 50 87.636 -28.632 -6.244 1.00 0.00 H new ATOM 0 HH12 ARG A 50 86.740 -29.898 -7.089 1.00 0.00 H new ATOM 0 HH21 ARG A 50 87.324 -32.305 -4.622 1.00 0.00 H new ATOM 0 HH22 ARG A 50 86.565 -31.959 -6.180 1.00 0.00 H new ATOM 824 N ASN A 51 91.798 -31.568 0.935 1.00 0.00 N ATOM 825 CA ASN A 51 92.718 -32.330 1.824 1.00 0.00 C ATOM 826 C ASN A 51 92.755 -31.665 3.200 1.00 0.00 C ATOM 827 O ASN A 51 92.959 -32.312 4.209 1.00 0.00 O ATOM 828 CB ASN A 51 94.125 -32.335 1.221 1.00 0.00 C ATOM 829 CG ASN A 51 94.473 -30.931 0.724 1.00 0.00 C ATOM 830 OD1 ASN A 51 94.061 -30.548 -0.453 1.00 0.00 O flip ATOM 831 ND2 ASN A 51 95.127 -30.174 1.414 1.00 0.00 N flip ATOM 0 H ASN A 51 92.171 -31.343 0.013 1.00 0.00 H new ATOM 0 HA ASN A 51 92.364 -33.356 1.923 1.00 0.00 H new ATOM 0 HB2 ASN A 51 94.851 -32.658 1.967 1.00 0.00 H new ATOM 0 HB3 ASN A 51 94.176 -33.047 0.397 1.00 0.00 H new ATOM 0 HD21 ASN A 51 95.449 -30.473 2.334 1.00 0.00 H new ATOM 0 HD22 ASN A 51 95.353 -29.240 1.073 1.00 0.00 H new ATOM 838 N GLY A 52 92.555 -30.377 3.249 1.00 0.00 N ATOM 839 CA GLY A 52 92.572 -29.668 4.559 1.00 0.00 C ATOM 840 C GLY A 52 93.967 -29.094 4.818 1.00 0.00 C ATOM 841 O GLY A 52 94.693 -29.568 5.670 1.00 0.00 O ATOM 0 H GLY A 52 92.380 -29.784 2.437 1.00 0.00 H new ATOM 0 HA2 GLY A 52 91.833 -28.867 4.559 1.00 0.00 H new ATOM 0 HA3 GLY A 52 92.297 -30.355 5.359 1.00 0.00 H new ATOM 845 N ASN A 53 94.345 -28.074 4.096 1.00 0.00 N ATOM 846 CA ASN A 53 95.689 -27.470 4.308 1.00 0.00 C ATOM 847 C ASN A 53 95.560 -25.952 4.341 1.00 0.00 C ATOM 848 O ASN A 53 96.530 -25.225 4.263 1.00 0.00 O ATOM 849 CB ASN A 53 96.628 -27.885 3.176 1.00 0.00 C ATOM 850 CG ASN A 53 98.074 -27.862 3.673 1.00 0.00 C ATOM 851 OD1 ASN A 53 98.702 -26.822 3.702 1.00 0.00 O ATOM 852 ND2 ASN A 53 98.634 -28.973 4.067 1.00 0.00 N ATOM 0 H ASN A 53 93.781 -27.634 3.369 1.00 0.00 H new ATOM 0 HA ASN A 53 96.099 -27.821 5.255 1.00 0.00 H new ATOM 0 HB2 ASN A 53 96.370 -28.884 2.824 1.00 0.00 H new ATOM 0 HB3 ASN A 53 96.513 -27.209 2.329 1.00 0.00 H new ATOM 0 HD21 ASN A 53 99.598 -28.968 4.399 1.00 0.00 H new ATOM 0 HD22 ASN A 53 98.107 -29.846 4.043 1.00 0.00 H new ATOM 859 N LEU A 54 94.360 -25.480 4.459 1.00 0.00 N ATOM 860 CA LEU A 54 94.119 -24.019 4.505 1.00 0.00 C ATOM 861 C LEU A 54 94.929 -23.333 3.407 1.00 0.00 C ATOM 862 O LEU A 54 96.110 -23.090 3.546 1.00 0.00 O ATOM 863 CB LEU A 54 94.521 -23.471 5.875 1.00 0.00 C ATOM 864 CG LEU A 54 93.305 -23.493 6.806 1.00 0.00 C ATOM 865 CD1 LEU A 54 93.720 -23.017 8.199 1.00 0.00 C ATOM 866 CD2 LEU A 54 92.210 -22.568 6.255 1.00 0.00 C ATOM 0 H LEU A 54 93.520 -26.054 4.527 1.00 0.00 H new ATOM 0 HA LEU A 54 93.059 -23.821 4.343 1.00 0.00 H new ATOM 0 HB2 LEU A 54 95.327 -24.071 6.297 1.00 0.00 H new ATOM 0 HB3 LEU A 54 94.899 -22.453 5.776 1.00 0.00 H new ATOM 0 HG LEU A 54 92.919 -24.510 6.867 1.00 0.00 H new ATOM 0 HD11 LEU A 54 92.855 -23.033 8.862 1.00 0.00 H new ATOM 0 HD12 LEU A 54 94.492 -23.678 8.594 1.00 0.00 H new ATOM 0 HD13 LEU A 54 94.110 -22.001 8.135 1.00 0.00 H new ATOM 0 HD21 LEU A 54 91.348 -22.588 6.921 1.00 0.00 H new ATOM 0 HD22 LEU A 54 92.593 -21.550 6.188 1.00 0.00 H new ATOM 0 HD23 LEU A 54 91.911 -22.909 5.264 1.00 0.00 H new ATOM 878 N GLN A 55 94.291 -23.018 2.317 1.00 0.00 N ATOM 879 CA GLN A 55 95.012 -22.346 1.200 1.00 0.00 C ATOM 880 C GLN A 55 95.394 -20.932 1.632 1.00 0.00 C ATOM 881 O GLN A 55 94.742 -20.331 2.461 1.00 0.00 O ATOM 882 CB GLN A 55 94.100 -22.277 -0.028 1.00 0.00 C ATOM 883 CG GLN A 55 94.727 -21.353 -1.076 1.00 0.00 C ATOM 884 CD GLN A 55 94.216 -21.740 -2.466 1.00 0.00 C ATOM 885 OE1 GLN A 55 93.168 -21.293 -2.887 1.00 0.00 O ATOM 886 NE2 GLN A 55 94.918 -22.560 -3.200 1.00 0.00 N ATOM 0 H GLN A 55 93.301 -23.196 2.150 1.00 0.00 H new ATOM 0 HA GLN A 55 95.911 -22.909 0.950 1.00 0.00 H new ATOM 0 HB2 GLN A 55 93.957 -23.274 -0.445 1.00 0.00 H new ATOM 0 HB3 GLN A 55 93.115 -21.907 0.257 1.00 0.00 H new ATOM 0 HG2 GLN A 55 94.474 -20.315 -0.860 1.00 0.00 H new ATOM 0 HG3 GLN A 55 95.814 -21.430 -1.041 1.00 0.00 H new ATOM 0 HE21 GLN A 55 95.798 -22.935 -2.846 1.00 0.00 H new ATOM 0 HE22 GLN A 55 94.587 -22.826 -4.127 1.00 0.00 H new ATOM 895 N TYR A 56 96.452 -20.396 1.084 1.00 0.00 N ATOM 896 CA TYR A 56 96.878 -19.022 1.471 1.00 0.00 C ATOM 897 C TYR A 56 97.098 -18.174 0.218 1.00 0.00 C ATOM 898 O TYR A 56 97.967 -18.447 -0.587 1.00 0.00 O ATOM 899 CB TYR A 56 98.181 -19.099 2.268 1.00 0.00 C ATOM 900 CG TYR A 56 97.889 -19.594 3.665 1.00 0.00 C ATOM 901 CD1 TYR A 56 97.746 -18.681 4.715 1.00 0.00 C ATOM 902 CD2 TYR A 56 97.764 -20.967 3.907 1.00 0.00 C ATOM 903 CE1 TYR A 56 97.475 -19.141 6.009 1.00 0.00 C ATOM 904 CE2 TYR A 56 97.494 -21.427 5.203 1.00 0.00 C ATOM 905 CZ TYR A 56 97.349 -20.513 6.253 1.00 0.00 C ATOM 906 OH TYR A 56 97.082 -20.966 7.530 1.00 0.00 O ATOM 0 H TYR A 56 97.039 -20.851 0.385 1.00 0.00 H new ATOM 0 HA TYR A 56 96.100 -18.564 2.082 1.00 0.00 H new ATOM 0 HB2 TYR A 56 98.884 -19.769 1.773 1.00 0.00 H new ATOM 0 HB3 TYR A 56 98.653 -18.117 2.310 1.00 0.00 H new ATOM 0 HD1 TYR A 56 97.845 -17.622 4.528 1.00 0.00 H new ATOM 0 HD2 TYR A 56 97.876 -21.671 3.096 1.00 0.00 H new ATOM 0 HE1 TYR A 56 97.363 -18.436 6.820 1.00 0.00 H new ATOM 0 HE2 TYR A 56 97.398 -22.486 5.391 1.00 0.00 H new ATOM 0 HH TYR A 56 97.025 -21.944 7.525 1.00 0.00 H new ATOM 916 N ASP A 57 96.321 -17.139 0.056 1.00 0.00 N ATOM 917 CA ASP A 57 96.477 -16.252 -1.132 1.00 0.00 C ATOM 918 C ASP A 57 96.737 -14.829 -0.638 1.00 0.00 C ATOM 919 O ASP A 57 96.375 -14.475 0.467 1.00 0.00 O ATOM 920 CB ASP A 57 95.195 -16.288 -1.972 1.00 0.00 C ATOM 921 CG ASP A 57 95.438 -17.095 -3.251 1.00 0.00 C ATOM 922 OD1 ASP A 57 96.265 -17.989 -3.214 1.00 0.00 O ATOM 923 OD2 ASP A 57 94.792 -16.802 -4.243 1.00 0.00 O ATOM 0 H ASP A 57 95.579 -16.867 0.701 1.00 0.00 H new ATOM 0 HA ASP A 57 97.309 -16.589 -1.750 1.00 0.00 H new ATOM 0 HB2 ASP A 57 94.384 -16.735 -1.397 1.00 0.00 H new ATOM 0 HB3 ASP A 57 94.885 -15.274 -2.224 1.00 0.00 H new ATOM 928 N LEU A 58 97.374 -14.009 -1.430 1.00 0.00 N ATOM 929 CA LEU A 58 97.659 -12.619 -0.975 1.00 0.00 C ATOM 930 C LEU A 58 97.284 -11.618 -2.070 1.00 0.00 C ATOM 931 O LEU A 58 97.346 -11.912 -3.247 1.00 0.00 O ATOM 932 CB LEU A 58 99.152 -12.477 -0.650 1.00 0.00 C ATOM 933 CG LEU A 58 99.712 -13.814 -0.151 1.00 0.00 C ATOM 934 CD1 LEU A 58 101.241 -13.747 -0.136 1.00 0.00 C ATOM 935 CD2 LEU A 58 99.202 -14.089 1.267 1.00 0.00 C ATOM 0 H LEU A 58 97.707 -14.240 -2.366 1.00 0.00 H new ATOM 0 HA LEU A 58 97.067 -12.414 -0.083 1.00 0.00 H new ATOM 0 HB2 LEU A 58 99.696 -12.154 -1.538 1.00 0.00 H new ATOM 0 HB3 LEU A 58 99.295 -11.708 0.109 1.00 0.00 H new ATOM 0 HG LEU A 58 99.385 -14.615 -0.814 1.00 0.00 H new ATOM 0 HD11 LEU A 58 101.643 -14.696 0.218 1.00 0.00 H new ATOM 0 HD12 LEU A 58 101.607 -13.552 -1.144 1.00 0.00 H new ATOM 0 HD13 LEU A 58 101.564 -12.945 0.529 1.00 0.00 H new ATOM 0 HD21 LEU A 58 99.602 -15.040 1.619 1.00 0.00 H new ATOM 0 HD22 LEU A 58 99.528 -13.290 1.932 1.00 0.00 H new ATOM 0 HD23 LEU A 58 98.113 -14.133 1.260 1.00 0.00 H new ATOM 947 N HIS A 59 96.901 -10.432 -1.682 1.00 0.00 N ATOM 948 CA HIS A 59 96.527 -9.394 -2.682 1.00 0.00 C ATOM 949 C HIS A 59 97.000 -8.028 -2.181 1.00 0.00 C ATOM 950 O HIS A 59 96.647 -7.599 -1.100 1.00 0.00 O ATOM 951 CB HIS A 59 95.006 -9.377 -2.857 1.00 0.00 C ATOM 952 CG HIS A 59 94.497 -10.788 -2.964 1.00 0.00 C ATOM 953 ND1 HIS A 59 93.889 -11.270 -4.116 1.00 0.00 N ATOM 954 CD2 HIS A 59 94.494 -11.834 -2.073 1.00 0.00 C ATOM 955 CE1 HIS A 59 93.551 -12.554 -3.889 1.00 0.00 C ATOM 956 NE2 HIS A 59 93.899 -12.943 -2.662 1.00 0.00 N ATOM 0 H HIS A 59 96.831 -10.137 -0.708 1.00 0.00 H new ATOM 0 HA HIS A 59 96.996 -9.618 -3.640 1.00 0.00 H new ATOM 0 HB2 HIS A 59 94.538 -8.873 -2.011 1.00 0.00 H new ATOM 0 HB3 HIS A 59 94.739 -8.814 -3.751 1.00 0.00 H new ATOM 0 HD1 HIS A 59 93.728 -10.747 -4.977 1.00 0.00 H new ATOM 0 HD2 HIS A 59 94.893 -11.800 -1.070 1.00 0.00 H new ATOM 0 HE1 HIS A 59 93.059 -13.189 -4.611 1.00 0.00 H new ATOM 964 N TYR A 60 97.801 -7.341 -2.950 1.00 0.00 N ATOM 965 CA TYR A 60 98.296 -6.006 -2.501 1.00 0.00 C ATOM 966 C TYR A 60 97.486 -4.901 -3.183 1.00 0.00 C ATOM 967 O TYR A 60 97.319 -4.892 -4.387 1.00 0.00 O ATOM 968 CB TYR A 60 99.776 -5.858 -2.864 1.00 0.00 C ATOM 969 CG TYR A 60 100.102 -6.734 -4.051 1.00 0.00 C ATOM 970 CD1 TYR A 60 100.445 -6.151 -5.277 1.00 0.00 C ATOM 971 CD2 TYR A 60 100.063 -8.128 -3.924 1.00 0.00 C ATOM 972 CE1 TYR A 60 100.749 -6.962 -6.377 1.00 0.00 C ATOM 973 CE2 TYR A 60 100.367 -8.938 -5.025 1.00 0.00 C ATOM 974 CZ TYR A 60 100.709 -8.357 -6.251 1.00 0.00 C ATOM 975 OH TYR A 60 101.010 -9.156 -7.336 1.00 0.00 O ATOM 0 H TYR A 60 98.133 -7.644 -3.866 1.00 0.00 H new ATOM 0 HA TYR A 60 98.180 -5.923 -1.420 1.00 0.00 H new ATOM 0 HB2 TYR A 60 100.001 -4.817 -3.096 1.00 0.00 H new ATOM 0 HB3 TYR A 60 100.398 -6.136 -2.013 1.00 0.00 H new ATOM 0 HD1 TYR A 60 100.475 -5.076 -5.374 1.00 0.00 H new ATOM 0 HD2 TYR A 60 99.799 -8.578 -2.978 1.00 0.00 H new ATOM 0 HE1 TYR A 60 101.014 -6.512 -7.322 1.00 0.00 H new ATOM 0 HE2 TYR A 60 100.337 -10.013 -4.928 1.00 0.00 H new ATOM 0 HH TYR A 60 101.652 -8.694 -7.914 1.00 0.00 H new ATOM 985 N TRP A 61 96.984 -3.968 -2.421 1.00 0.00 N ATOM 986 CA TRP A 61 96.187 -2.859 -3.021 1.00 0.00 C ATOM 987 C TRP A 61 97.049 -1.595 -3.089 1.00 0.00 C ATOM 988 O TRP A 61 97.571 -1.136 -2.093 1.00 0.00 O ATOM 989 CB TRP A 61 94.951 -2.594 -2.150 1.00 0.00 C ATOM 990 CG TRP A 61 93.716 -2.629 -2.993 1.00 0.00 C ATOM 991 CD1 TRP A 61 93.595 -2.074 -4.222 1.00 0.00 C ATOM 992 CD2 TRP A 61 92.429 -3.242 -2.692 1.00 0.00 C ATOM 993 NE1 TRP A 61 92.315 -2.309 -4.693 1.00 0.00 N ATOM 994 CE2 TRP A 61 91.558 -3.024 -3.786 1.00 0.00 C ATOM 995 CE3 TRP A 61 91.938 -3.958 -1.587 1.00 0.00 C ATOM 996 CZ2 TRP A 61 90.247 -3.501 -3.784 1.00 0.00 C ATOM 997 CZ3 TRP A 61 90.620 -4.439 -1.581 1.00 0.00 C ATOM 998 CH2 TRP A 61 89.776 -4.211 -2.677 1.00 0.00 C ATOM 0 H TRP A 61 97.091 -3.925 -1.408 1.00 0.00 H new ATOM 0 HA TRP A 61 95.870 -3.136 -4.026 1.00 0.00 H new ATOM 0 HB2 TRP A 61 94.884 -3.343 -1.361 1.00 0.00 H new ATOM 0 HB3 TRP A 61 95.041 -1.624 -1.662 1.00 0.00 H new ATOM 0 HD1 TRP A 61 94.370 -1.536 -4.748 1.00 0.00 H new ATOM 0 HE1 TRP A 61 91.972 -1.992 -5.600 1.00 0.00 H new ATOM 0 HE3 TRP A 61 92.579 -4.139 -0.737 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 89.602 -3.323 -4.631 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 90.253 -4.988 -0.727 1.00 0.00 H new ATOM 0 HH2 TRP A 61 88.763 -4.584 -2.665 1.00 0.00 H new ATOM 1009 N LEU A 62 97.200 -1.032 -4.257 1.00 0.00 N ATOM 1010 CA LEU A 62 98.028 0.202 -4.388 1.00 0.00 C ATOM 1011 C LEU A 62 97.111 1.422 -4.497 1.00 0.00 C ATOM 1012 O LEU A 62 95.938 1.303 -4.792 1.00 0.00 O ATOM 1013 CB LEU A 62 98.895 0.102 -5.645 1.00 0.00 C ATOM 1014 CG LEU A 62 99.401 -1.332 -5.805 1.00 0.00 C ATOM 1015 CD1 LEU A 62 100.287 -1.426 -7.049 1.00 0.00 C ATOM 1016 CD2 LEU A 62 100.214 -1.726 -4.571 1.00 0.00 C ATOM 0 H LEU A 62 96.787 -1.372 -5.125 1.00 0.00 H new ATOM 0 HA LEU A 62 98.668 0.306 -3.512 1.00 0.00 H new ATOM 0 HB2 LEU A 62 98.317 0.395 -6.522 1.00 0.00 H new ATOM 0 HB3 LEU A 62 99.737 0.790 -5.574 1.00 0.00 H new ATOM 0 HG LEU A 62 98.551 -2.006 -5.912 1.00 0.00 H new ATOM 0 HD11 LEU A 62 100.647 -2.448 -7.163 1.00 0.00 H new ATOM 0 HD12 LEU A 62 99.709 -1.145 -7.929 1.00 0.00 H new ATOM 0 HD13 LEU A 62 101.137 -0.752 -6.942 1.00 0.00 H new ATOM 0 HD21 LEU A 62 100.575 -2.748 -4.684 1.00 0.00 H new ATOM 0 HD22 LEU A 62 101.063 -1.051 -4.464 1.00 0.00 H new ATOM 0 HD23 LEU A 62 99.584 -1.660 -3.684 1.00 0.00 H new ATOM 1028 N GLY A 63 97.636 2.593 -4.260 1.00 0.00 N ATOM 1029 CA GLY A 63 96.796 3.824 -4.349 1.00 0.00 C ATOM 1030 C GLY A 63 97.317 4.720 -5.475 1.00 0.00 C ATOM 1031 O GLY A 63 98.460 4.631 -5.874 1.00 0.00 O ATOM 0 H GLY A 63 98.612 2.752 -4.008 1.00 0.00 H new ATOM 0 HA2 GLY A 63 95.757 3.555 -4.536 1.00 0.00 H new ATOM 0 HA3 GLY A 63 96.820 4.362 -3.401 1.00 0.00 H new ATOM 1035 N ASN A 64 96.484 5.584 -5.989 1.00 0.00 N ATOM 1036 CA ASN A 64 96.929 6.486 -7.088 1.00 0.00 C ATOM 1037 C ASN A 64 97.809 7.597 -6.514 1.00 0.00 C ATOM 1038 O ASN A 64 98.471 8.314 -7.237 1.00 0.00 O ATOM 1039 CB ASN A 64 95.706 7.103 -7.771 1.00 0.00 C ATOM 1040 CG ASN A 64 96.163 8.129 -8.809 1.00 0.00 C ATOM 1041 OD1 ASN A 64 97.160 7.838 -9.600 1.00 0.00 O flip ATOM 1042 ND2 ASN A 64 95.610 9.206 -8.900 1.00 0.00 N flip ATOM 0 H ASN A 64 95.515 5.704 -5.695 1.00 0.00 H new ATOM 0 HA ASN A 64 97.500 5.912 -7.818 1.00 0.00 H new ATOM 0 HB2 ASN A 64 95.113 6.324 -8.251 1.00 0.00 H new ATOM 0 HB3 ASN A 64 95.065 7.581 -7.030 1.00 0.00 H new ATOM 0 HD21 ASN A 64 94.831 9.433 -8.282 1.00 0.00 H new ATOM 0 HD22 ASN A 64 95.924 9.884 -9.595 1.00 0.00 H new ATOM 1049 N GLU A 65 97.827 7.738 -5.217 1.00 0.00 N ATOM 1050 CA GLU A 65 98.669 8.791 -4.592 1.00 0.00 C ATOM 1051 C GLU A 65 99.864 8.116 -3.929 1.00 0.00 C ATOM 1052 O GLU A 65 100.475 8.648 -3.023 1.00 0.00 O ATOM 1053 CB GLU A 65 97.850 9.545 -3.541 1.00 0.00 C ATOM 1054 CG GLU A 65 96.376 9.551 -3.949 1.00 0.00 C ATOM 1055 CD GLU A 65 95.624 10.606 -3.136 1.00 0.00 C ATOM 1056 OE1 GLU A 65 95.559 11.738 -3.586 1.00 0.00 O ATOM 1057 OE2 GLU A 65 95.126 10.263 -2.077 1.00 0.00 O ATOM 0 H GLU A 65 97.292 7.166 -4.563 1.00 0.00 H new ATOM 0 HA GLU A 65 99.011 9.500 -5.346 1.00 0.00 H new ATOM 0 HB2 GLU A 65 97.966 9.072 -2.566 1.00 0.00 H new ATOM 0 HB3 GLU A 65 98.216 10.567 -3.445 1.00 0.00 H new ATOM 0 HG2 GLU A 65 96.284 9.764 -5.014 1.00 0.00 H new ATOM 0 HG3 GLU A 65 95.938 8.567 -3.781 1.00 0.00 H new ATOM 1064 N CYS A 66 100.198 6.943 -4.386 1.00 0.00 N ATOM 1065 CA CYS A 66 101.342 6.211 -3.814 1.00 0.00 C ATOM 1066 C CYS A 66 102.225 5.728 -4.954 1.00 0.00 C ATOM 1067 O CYS A 66 101.982 4.711 -5.571 1.00 0.00 O ATOM 1068 CB CYS A 66 100.832 5.017 -3.026 1.00 0.00 C ATOM 1069 SG CYS A 66 100.523 5.507 -1.312 1.00 0.00 S ATOM 0 H CYS A 66 99.715 6.460 -5.143 1.00 0.00 H new ATOM 0 HA CYS A 66 101.912 6.862 -3.151 1.00 0.00 H new ATOM 0 HB2 CYS A 66 99.916 4.636 -3.477 1.00 0.00 H new ATOM 0 HB3 CYS A 66 101.563 4.209 -3.058 1.00 0.00 H new ATOM 0 HG CYS A 66 100.084 4.484 -0.641 1.00 0.00 H new ATOM 1075 N SER A 67 103.243 6.463 -5.223 1.00 0.00 N ATOM 1076 CA SER A 67 104.181 6.094 -6.321 1.00 0.00 C ATOM 1077 C SER A 67 104.789 4.720 -6.036 1.00 0.00 C ATOM 1078 O SER A 67 104.376 4.022 -5.130 1.00 0.00 O ATOM 1079 CB SER A 67 105.295 7.136 -6.410 1.00 0.00 C ATOM 1080 OG SER A 67 104.802 8.296 -7.066 1.00 0.00 O ATOM 0 H SER A 67 103.481 7.322 -4.727 1.00 0.00 H new ATOM 0 HA SER A 67 103.638 6.060 -7.265 1.00 0.00 H new ATOM 0 HB2 SER A 67 105.650 7.392 -5.412 1.00 0.00 H new ATOM 0 HB3 SER A 67 106.146 6.729 -6.956 1.00 0.00 H new ATOM 0 HG SER A 67 105.514 8.967 -7.123 1.00 0.00 H new ATOM 1086 N GLN A 68 105.766 4.325 -6.804 1.00 0.00 N ATOM 1087 CA GLN A 68 106.402 2.995 -6.580 1.00 0.00 C ATOM 1088 C GLN A 68 107.033 2.957 -5.186 1.00 0.00 C ATOM 1089 O GLN A 68 107.322 1.902 -4.655 1.00 0.00 O ATOM 1090 CB GLN A 68 107.486 2.765 -7.635 1.00 0.00 C ATOM 1091 CG GLN A 68 108.166 1.419 -7.382 1.00 0.00 C ATOM 1092 CD GLN A 68 108.789 0.908 -8.683 1.00 0.00 C ATOM 1093 OE1 GLN A 68 108.896 1.641 -9.647 1.00 0.00 O ATOM 1094 NE2 GLN A 68 109.210 -0.325 -8.751 1.00 0.00 N ATOM 0 H GLN A 68 106.152 4.866 -7.578 1.00 0.00 H new ATOM 0 HA GLN A 68 105.646 2.214 -6.657 1.00 0.00 H new ATOM 0 HB2 GLN A 68 107.047 2.781 -8.633 1.00 0.00 H new ATOM 0 HB3 GLN A 68 108.221 3.569 -7.598 1.00 0.00 H new ATOM 0 HG2 GLN A 68 108.934 1.526 -6.616 1.00 0.00 H new ATOM 0 HG3 GLN A 68 107.440 0.698 -7.006 1.00 0.00 H new ATOM 0 HE21 GLN A 68 109.120 -0.940 -7.942 1.00 0.00 H new ATOM 0 HE22 GLN A 68 109.629 -0.674 -9.613 1.00 0.00 H new ATOM 1103 N ASP A 69 107.252 4.097 -4.588 1.00 0.00 N ATOM 1104 CA ASP A 69 107.864 4.118 -3.229 1.00 0.00 C ATOM 1105 C ASP A 69 106.922 3.439 -2.236 1.00 0.00 C ATOM 1106 O ASP A 69 107.272 2.469 -1.595 1.00 0.00 O ATOM 1107 CB ASP A 69 108.105 5.566 -2.799 1.00 0.00 C ATOM 1108 CG ASP A 69 108.816 5.585 -1.446 1.00 0.00 C ATOM 1109 OD1 ASP A 69 108.306 4.973 -0.523 1.00 0.00 O ATOM 1110 OD2 ASP A 69 109.859 6.213 -1.355 1.00 0.00 O ATOM 0 H ASP A 69 107.034 5.013 -4.981 1.00 0.00 H new ATOM 0 HA ASP A 69 108.814 3.585 -3.250 1.00 0.00 H new ATOM 0 HB2 ASP A 69 108.708 6.083 -3.546 1.00 0.00 H new ATOM 0 HB3 ASP A 69 107.157 6.099 -2.731 1.00 0.00 H new ATOM 1115 N GLU A 70 105.729 3.942 -2.109 1.00 0.00 N ATOM 1116 CA GLU A 70 104.759 3.327 -1.160 1.00 0.00 C ATOM 1117 C GLU A 70 104.406 1.923 -1.650 1.00 0.00 C ATOM 1118 O GLU A 70 104.332 0.983 -0.883 1.00 0.00 O ATOM 1119 CB GLU A 70 103.492 4.188 -1.092 1.00 0.00 C ATOM 1120 CG GLU A 70 103.515 5.043 0.177 1.00 0.00 C ATOM 1121 CD GLU A 70 103.242 4.157 1.395 1.00 0.00 C ATOM 1122 OE1 GLU A 70 102.108 3.737 1.554 1.00 0.00 O ATOM 1123 OE2 GLU A 70 104.172 3.916 2.147 1.00 0.00 O ATOM 0 H GLU A 70 105.381 4.753 -2.621 1.00 0.00 H new ATOM 0 HA GLU A 70 105.201 3.266 -0.166 1.00 0.00 H new ATOM 0 HB2 GLU A 70 103.428 4.828 -1.972 1.00 0.00 H new ATOM 0 HB3 GLU A 70 102.607 3.551 -1.097 1.00 0.00 H new ATOM 0 HG2 GLU A 70 104.483 5.533 0.280 1.00 0.00 H new ATOM 0 HG3 GLU A 70 102.764 5.830 0.111 1.00 0.00 H new ATOM 1130 N SER A 71 104.195 1.775 -2.927 1.00 0.00 N ATOM 1131 CA SER A 71 103.856 0.432 -3.475 1.00 0.00 C ATOM 1132 C SER A 71 105.097 -0.457 -3.417 1.00 0.00 C ATOM 1133 O SER A 71 105.006 -1.668 -3.394 1.00 0.00 O ATOM 1134 CB SER A 71 103.395 0.573 -4.926 1.00 0.00 C ATOM 1135 OG SER A 71 102.476 1.653 -5.025 1.00 0.00 O ATOM 0 H SER A 71 104.242 2.526 -3.616 1.00 0.00 H new ATOM 0 HA SER A 71 103.055 -0.015 -2.886 1.00 0.00 H new ATOM 0 HB2 SER A 71 104.252 0.749 -5.576 1.00 0.00 H new ATOM 0 HB3 SER A 71 102.925 -0.351 -5.262 1.00 0.00 H new ATOM 0 HG SER A 71 102.969 2.493 -5.130 1.00 0.00 H new ATOM 1141 N GLY A 72 106.259 0.138 -3.385 1.00 0.00 N ATOM 1142 CA GLY A 72 107.508 -0.669 -3.321 1.00 0.00 C ATOM 1143 C GLY A 72 107.630 -1.298 -1.933 1.00 0.00 C ATOM 1144 O GLY A 72 108.025 -2.439 -1.791 1.00 0.00 O ATOM 0 H GLY A 72 106.396 1.149 -3.400 1.00 0.00 H new ATOM 0 HA2 GLY A 72 107.493 -1.446 -4.085 1.00 0.00 H new ATOM 0 HA3 GLY A 72 108.373 -0.038 -3.525 1.00 0.00 H new ATOM 1148 N ALA A 73 107.291 -0.566 -0.907 1.00 0.00 N ATOM 1149 CA ALA A 73 107.384 -1.126 0.469 1.00 0.00 C ATOM 1150 C ALA A 73 106.301 -2.188 0.655 1.00 0.00 C ATOM 1151 O ALA A 73 106.563 -3.285 1.107 1.00 0.00 O ATOM 1152 CB ALA A 73 107.185 -0.008 1.493 1.00 0.00 C ATOM 0 H ALA A 73 106.954 0.395 -0.963 1.00 0.00 H new ATOM 0 HA ALA A 73 108.366 -1.576 0.614 1.00 0.00 H new ATOM 0 HB1 ALA A 73 107.253 -0.420 2.500 1.00 0.00 H new ATOM 0 HB2 ALA A 73 107.956 0.750 1.358 1.00 0.00 H new ATOM 0 HB3 ALA A 73 106.203 0.444 1.352 1.00 0.00 H new ATOM 1158 N ALA A 74 105.087 -1.871 0.305 1.00 0.00 N ATOM 1159 CA ALA A 74 103.988 -2.865 0.454 1.00 0.00 C ATOM 1160 C ALA A 74 104.347 -4.128 -0.331 1.00 0.00 C ATOM 1161 O ALA A 74 104.212 -5.235 0.155 1.00 0.00 O ATOM 1162 CB ALA A 74 102.687 -2.274 -0.095 1.00 0.00 C ATOM 0 H ALA A 74 104.808 -0.968 -0.078 1.00 0.00 H new ATOM 0 HA ALA A 74 103.855 -3.112 1.507 1.00 0.00 H new ATOM 0 HB1 ALA A 74 101.883 -3.001 0.014 1.00 0.00 H new ATOM 0 HB2 ALA A 74 102.436 -1.370 0.459 1.00 0.00 H new ATOM 0 HB3 ALA A 74 102.815 -2.030 -1.150 1.00 0.00 H new ATOM 1168 N ALA A 75 104.813 -3.968 -1.540 1.00 0.00 N ATOM 1169 CA ALA A 75 105.189 -5.153 -2.357 1.00 0.00 C ATOM 1170 C ALA A 75 106.262 -5.954 -1.617 1.00 0.00 C ATOM 1171 O ALA A 75 106.142 -7.148 -1.431 1.00 0.00 O ATOM 1172 CB ALA A 75 105.736 -4.690 -3.708 1.00 0.00 C ATOM 0 H ALA A 75 104.949 -3.066 -1.996 1.00 0.00 H new ATOM 0 HA ALA A 75 104.312 -5.779 -2.520 1.00 0.00 H new ATOM 0 HB1 ALA A 75 106.011 -5.559 -4.306 1.00 0.00 H new ATOM 0 HB2 ALA A 75 104.972 -4.116 -4.232 1.00 0.00 H new ATOM 0 HB3 ALA A 75 106.615 -4.065 -3.550 1.00 0.00 H new ATOM 1178 N ILE A 76 107.312 -5.305 -1.190 1.00 0.00 N ATOM 1179 CA ILE A 76 108.388 -6.032 -0.460 1.00 0.00 C ATOM 1180 C ILE A 76 107.760 -6.889 0.638 1.00 0.00 C ATOM 1181 O ILE A 76 108.153 -8.016 0.862 1.00 0.00 O ATOM 1182 CB ILE A 76 109.352 -5.020 0.166 1.00 0.00 C ATOM 1183 CG1 ILE A 76 110.247 -4.428 -0.926 1.00 0.00 C ATOM 1184 CG2 ILE A 76 110.222 -5.723 1.209 1.00 0.00 C ATOM 1185 CD1 ILE A 76 111.048 -3.260 -0.351 1.00 0.00 C ATOM 0 H ILE A 76 107.470 -4.305 -1.315 1.00 0.00 H new ATOM 0 HA ILE A 76 108.936 -6.671 -1.153 1.00 0.00 H new ATOM 0 HB ILE A 76 108.783 -4.223 0.644 1.00 0.00 H new ATOM 0 HG12 ILE A 76 110.923 -5.192 -1.311 1.00 0.00 H new ATOM 0 HG13 ILE A 76 109.639 -4.088 -1.765 1.00 0.00 H new ATOM 0 HG21 ILE A 76 110.908 -5.003 1.655 1.00 0.00 H new ATOM 0 HG22 ILE A 76 109.587 -6.148 1.986 1.00 0.00 H new ATOM 0 HG23 ILE A 76 110.792 -6.519 0.730 1.00 0.00 H new ATOM 0 HD11 ILE A 76 111.685 -2.838 -1.128 1.00 0.00 H new ATOM 0 HD12 ILE A 76 110.364 -2.493 0.013 1.00 0.00 H new ATOM 0 HD13 ILE A 76 111.667 -3.614 0.473 1.00 0.00 H new ATOM 1197 N PHE A 77 106.781 -6.365 1.324 1.00 0.00 N ATOM 1198 CA PHE A 77 106.125 -7.151 2.405 1.00 0.00 C ATOM 1199 C PHE A 77 105.493 -8.405 1.799 1.00 0.00 C ATOM 1200 O PHE A 77 105.598 -9.489 2.341 1.00 0.00 O ATOM 1201 CB PHE A 77 105.043 -6.293 3.075 1.00 0.00 C ATOM 1202 CG PHE A 77 105.348 -6.150 4.548 1.00 0.00 C ATOM 1203 CD1 PHE A 77 104.460 -6.665 5.500 1.00 0.00 C ATOM 1204 CD2 PHE A 77 106.519 -5.503 4.962 1.00 0.00 C ATOM 1205 CE1 PHE A 77 104.743 -6.535 6.865 1.00 0.00 C ATOM 1206 CE2 PHE A 77 106.802 -5.372 6.327 1.00 0.00 C ATOM 1207 CZ PHE A 77 105.915 -5.887 7.279 1.00 0.00 C ATOM 0 H PHE A 77 106.408 -5.426 1.182 1.00 0.00 H new ATOM 0 HA PHE A 77 106.863 -7.442 3.152 1.00 0.00 H new ATOM 0 HB2 PHE A 77 105.001 -5.310 2.605 1.00 0.00 H new ATOM 0 HB3 PHE A 77 104.064 -6.753 2.939 1.00 0.00 H new ATOM 0 HD1 PHE A 77 103.556 -7.163 5.181 1.00 0.00 H new ATOM 0 HD2 PHE A 77 107.204 -5.105 4.228 1.00 0.00 H new ATOM 0 HE1 PHE A 77 104.058 -6.934 7.599 1.00 0.00 H new ATOM 0 HE2 PHE A 77 107.705 -4.873 6.645 1.00 0.00 H new ATOM 0 HZ PHE A 77 106.133 -5.785 8.332 1.00 0.00 H new ATOM 1217 N THR A 78 104.841 -8.272 0.677 1.00 0.00 N ATOM 1218 CA THR A 78 104.210 -9.459 0.037 1.00 0.00 C ATOM 1219 C THR A 78 105.296 -10.481 -0.302 1.00 0.00 C ATOM 1220 O THR A 78 105.186 -11.650 0.013 1.00 0.00 O ATOM 1221 CB THR A 78 103.495 -9.026 -1.244 1.00 0.00 C ATOM 1222 OG1 THR A 78 102.520 -8.040 -0.932 1.00 0.00 O ATOM 1223 CG2 THR A 78 102.812 -10.236 -1.882 1.00 0.00 C ATOM 0 H THR A 78 104.718 -7.392 0.176 1.00 0.00 H new ATOM 0 HA THR A 78 103.487 -9.906 0.720 1.00 0.00 H new ATOM 0 HB THR A 78 104.221 -8.610 -1.942 1.00 0.00 H new ATOM 0 HG1 THR A 78 102.063 -7.761 -1.753 1.00 0.00 H new ATOM 0 HG21 THR A 78 102.303 -9.927 -2.795 1.00 0.00 H new ATOM 0 HG22 THR A 78 103.560 -10.992 -2.122 1.00 0.00 H new ATOM 0 HG23 THR A 78 102.086 -10.653 -1.185 1.00 0.00 H new ATOM 1231 N VAL A 79 106.347 -10.049 -0.941 1.00 0.00 N ATOM 1232 CA VAL A 79 107.442 -10.992 -1.296 1.00 0.00 C ATOM 1233 C VAL A 79 107.858 -11.771 -0.050 1.00 0.00 C ATOM 1234 O VAL A 79 108.118 -12.958 -0.102 1.00 0.00 O ATOM 1235 CB VAL A 79 108.640 -10.206 -1.832 1.00 0.00 C ATOM 1236 CG1 VAL A 79 109.635 -11.170 -2.480 1.00 0.00 C ATOM 1237 CG2 VAL A 79 108.160 -9.193 -2.875 1.00 0.00 C ATOM 0 H VAL A 79 106.495 -9.083 -1.233 1.00 0.00 H new ATOM 0 HA VAL A 79 107.094 -11.685 -2.062 1.00 0.00 H new ATOM 0 HB VAL A 79 109.126 -9.680 -1.010 1.00 0.00 H new ATOM 0 HG11 VAL A 79 110.488 -10.610 -2.862 1.00 0.00 H new ATOM 0 HG12 VAL A 79 109.977 -11.892 -1.739 1.00 0.00 H new ATOM 0 HG13 VAL A 79 109.149 -11.696 -3.302 1.00 0.00 H new ATOM 0 HG21 VAL A 79 109.013 -8.633 -3.257 1.00 0.00 H new ATOM 0 HG22 VAL A 79 107.674 -9.719 -3.696 1.00 0.00 H new ATOM 0 HG23 VAL A 79 107.451 -8.505 -2.415 1.00 0.00 H new ATOM 1247 N GLN A 80 107.918 -11.112 1.073 1.00 0.00 N ATOM 1248 CA GLN A 80 108.309 -11.814 2.328 1.00 0.00 C ATOM 1249 C GLN A 80 107.292 -12.918 2.621 1.00 0.00 C ATOM 1250 O GLN A 80 107.649 -14.046 2.895 1.00 0.00 O ATOM 1251 CB GLN A 80 108.330 -10.816 3.488 1.00 0.00 C ATOM 1252 CG GLN A 80 109.449 -9.797 3.264 1.00 0.00 C ATOM 1253 CD GLN A 80 110.774 -10.376 3.764 1.00 0.00 C ATOM 1254 OE1 GLN A 80 111.358 -11.320 3.079 1.00 0.00 O flip ATOM 1255 NE2 GLN A 80 111.283 -9.963 4.787 1.00 0.00 N flip ATOM 0 H GLN A 80 107.713 -10.118 1.177 1.00 0.00 H new ATOM 0 HA GLN A 80 109.301 -12.250 2.211 1.00 0.00 H new ATOM 0 HB2 GLN A 80 107.369 -10.307 3.561 1.00 0.00 H new ATOM 0 HB3 GLN A 80 108.485 -11.341 4.431 1.00 0.00 H new ATOM 0 HG2 GLN A 80 109.524 -9.551 2.205 1.00 0.00 H new ATOM 0 HG3 GLN A 80 109.223 -8.870 3.792 1.00 0.00 H new ATOM 0 HE21 GLN A 80 110.826 -9.225 5.322 1.00 0.00 H new ATOM 0 HE22 GLN A 80 112.168 -10.354 5.111 1.00 0.00 H new ATOM 1264 N LEU A 81 106.027 -12.603 2.559 1.00 0.00 N ATOM 1265 CA LEU A 81 104.990 -13.637 2.826 1.00 0.00 C ATOM 1266 C LEU A 81 105.288 -14.870 1.973 1.00 0.00 C ATOM 1267 O LEU A 81 105.155 -15.992 2.416 1.00 0.00 O ATOM 1268 CB LEU A 81 103.606 -13.081 2.466 1.00 0.00 C ATOM 1269 CG LEU A 81 102.827 -12.759 3.743 1.00 0.00 C ATOM 1270 CD1 LEU A 81 101.781 -11.685 3.444 1.00 0.00 C ATOM 1271 CD2 LEU A 81 102.128 -14.024 4.246 1.00 0.00 C ATOM 0 H LEU A 81 105.668 -11.675 2.335 1.00 0.00 H new ATOM 0 HA LEU A 81 105.001 -13.909 3.881 1.00 0.00 H new ATOM 0 HB2 LEU A 81 103.712 -12.183 1.858 1.00 0.00 H new ATOM 0 HB3 LEU A 81 103.057 -13.808 1.868 1.00 0.00 H new ATOM 0 HG LEU A 81 103.515 -12.395 4.506 1.00 0.00 H new ATOM 0 HD11 LEU A 81 101.226 -11.455 4.353 1.00 0.00 H new ATOM 0 HD12 LEU A 81 102.277 -10.784 3.084 1.00 0.00 H new ATOM 0 HD13 LEU A 81 101.093 -12.049 2.681 1.00 0.00 H new ATOM 0 HD21 LEU A 81 101.573 -13.796 5.156 1.00 0.00 H new ATOM 0 HD22 LEU A 81 101.440 -14.388 3.483 1.00 0.00 H new ATOM 0 HD23 LEU A 81 102.873 -14.791 4.458 1.00 0.00 H new ATOM 1283 N ASP A 82 105.696 -14.671 0.749 1.00 0.00 N ATOM 1284 CA ASP A 82 106.007 -15.836 -0.124 1.00 0.00 C ATOM 1285 C ASP A 82 107.154 -16.631 0.495 1.00 0.00 C ATOM 1286 O ASP A 82 106.999 -17.783 0.853 1.00 0.00 O ATOM 1287 CB ASP A 82 106.413 -15.341 -1.514 1.00 0.00 C ATOM 1288 CG ASP A 82 105.310 -14.445 -2.080 1.00 0.00 C ATOM 1289 OD1 ASP A 82 104.333 -14.229 -1.382 1.00 0.00 O ATOM 1290 OD2 ASP A 82 105.462 -13.990 -3.201 1.00 0.00 O ATOM 0 H ASP A 82 105.827 -13.756 0.318 1.00 0.00 H new ATOM 0 HA ASP A 82 105.127 -16.473 -0.215 1.00 0.00 H new ATOM 0 HB2 ASP A 82 107.351 -14.788 -1.455 1.00 0.00 H new ATOM 0 HB3 ASP A 82 106.584 -16.189 -2.178 1.00 0.00 H new ATOM 1295 N ASP A 83 108.302 -16.030 0.641 1.00 0.00 N ATOM 1296 CA ASP A 83 109.442 -16.764 1.252 1.00 0.00 C ATOM 1297 C ASP A 83 108.946 -17.460 2.517 1.00 0.00 C ATOM 1298 O ASP A 83 109.426 -18.512 2.891 1.00 0.00 O ATOM 1299 CB ASP A 83 110.560 -15.781 1.607 1.00 0.00 C ATOM 1300 CG ASP A 83 111.229 -15.284 0.325 1.00 0.00 C ATOM 1301 OD1 ASP A 83 111.794 -16.105 -0.382 1.00 0.00 O ATOM 1302 OD2 ASP A 83 111.168 -14.093 0.069 1.00 0.00 O ATOM 0 H ASP A 83 108.498 -15.068 0.365 1.00 0.00 H new ATOM 0 HA ASP A 83 109.833 -17.500 0.549 1.00 0.00 H new ATOM 0 HB2 ASP A 83 110.154 -14.939 2.168 1.00 0.00 H new ATOM 0 HB3 ASP A 83 111.295 -16.266 2.249 1.00 0.00 H new ATOM 1307 N TYR A 84 107.976 -16.884 3.170 1.00 0.00 N ATOM 1308 CA TYR A 84 107.431 -17.512 4.402 1.00 0.00 C ATOM 1309 C TYR A 84 106.523 -18.675 3.999 1.00 0.00 C ATOM 1310 O TYR A 84 106.352 -19.626 4.735 1.00 0.00 O ATOM 1311 CB TYR A 84 106.626 -16.477 5.193 1.00 0.00 C ATOM 1312 CG TYR A 84 106.034 -17.125 6.422 1.00 0.00 C ATOM 1313 CD1 TYR A 84 106.807 -17.267 7.579 1.00 0.00 C ATOM 1314 CD2 TYR A 84 104.711 -17.582 6.402 1.00 0.00 C ATOM 1315 CE1 TYR A 84 106.258 -17.867 8.719 1.00 0.00 C ATOM 1316 CE2 TYR A 84 104.162 -18.182 7.542 1.00 0.00 C ATOM 1317 CZ TYR A 84 104.935 -18.324 8.700 1.00 0.00 C ATOM 1318 OH TYR A 84 104.393 -18.915 9.823 1.00 0.00 O ATOM 0 H TYR A 84 107.537 -16.003 2.902 1.00 0.00 H new ATOM 0 HA TYR A 84 108.246 -17.878 5.026 1.00 0.00 H new ATOM 0 HB2 TYR A 84 107.269 -15.646 5.482 1.00 0.00 H new ATOM 0 HB3 TYR A 84 105.833 -16.065 4.569 1.00 0.00 H new ATOM 0 HD1 TYR A 84 107.828 -16.914 7.593 1.00 0.00 H new ATOM 0 HD2 TYR A 84 104.114 -17.472 5.508 1.00 0.00 H new ATOM 0 HE1 TYR A 84 106.855 -17.977 9.612 1.00 0.00 H new ATOM 0 HE2 TYR A 84 103.142 -18.535 7.528 1.00 0.00 H new ATOM 0 HH TYR A 84 103.466 -19.174 9.641 1.00 0.00 H new ATOM 1328 N LEU A 85 105.944 -18.608 2.825 1.00 0.00 N ATOM 1329 CA LEU A 85 105.056 -19.709 2.366 1.00 0.00 C ATOM 1330 C LEU A 85 105.697 -20.403 1.165 1.00 0.00 C ATOM 1331 O LEU A 85 105.023 -20.969 0.327 1.00 0.00 O ATOM 1332 CB LEU A 85 103.693 -19.138 1.967 1.00 0.00 C ATOM 1333 CG LEU A 85 102.736 -19.209 3.159 1.00 0.00 C ATOM 1334 CD1 LEU A 85 101.650 -18.142 3.006 1.00 0.00 C ATOM 1335 CD2 LEU A 85 102.086 -20.593 3.209 1.00 0.00 C ATOM 0 H LEU A 85 106.051 -17.836 2.168 1.00 0.00 H new ATOM 0 HA LEU A 85 104.918 -20.429 3.172 1.00 0.00 H new ATOM 0 HB2 LEU A 85 103.803 -18.105 1.637 1.00 0.00 H new ATOM 0 HB3 LEU A 85 103.285 -19.699 1.126 1.00 0.00 H new ATOM 0 HG LEU A 85 103.291 -19.034 4.081 1.00 0.00 H new ATOM 0 HD11 LEU A 85 100.968 -18.192 3.855 1.00 0.00 H new ATOM 0 HD12 LEU A 85 102.112 -17.155 2.970 1.00 0.00 H new ATOM 0 HD13 LEU A 85 101.095 -18.317 2.084 1.00 0.00 H new ATOM 0 HD21 LEU A 85 101.404 -20.644 4.058 1.00 0.00 H new ATOM 0 HD22 LEU A 85 101.531 -20.768 2.287 1.00 0.00 H new ATOM 0 HD23 LEU A 85 102.859 -21.354 3.318 1.00 0.00 H new ATOM 1347 N ASN A 86 106.996 -20.365 1.078 1.00 0.00 N ATOM 1348 CA ASN A 86 107.689 -21.022 -0.066 1.00 0.00 C ATOM 1349 C ASN A 86 106.957 -20.687 -1.366 1.00 0.00 C ATOM 1350 O ASN A 86 106.822 -21.516 -2.245 1.00 0.00 O ATOM 1351 CB ASN A 86 107.692 -22.538 0.144 1.00 0.00 C ATOM 1352 CG ASN A 86 108.380 -23.216 -1.043 1.00 0.00 C ATOM 1353 OD1 ASN A 86 107.775 -24.002 -1.743 1.00 0.00 O ATOM 1354 ND2 ASN A 86 109.631 -22.943 -1.298 1.00 0.00 N ATOM 0 H ASN A 86 107.610 -19.906 1.751 1.00 0.00 H new ATOM 0 HA ASN A 86 108.716 -20.662 -0.126 1.00 0.00 H new ATOM 0 HB2 ASN A 86 108.211 -22.787 1.070 1.00 0.00 H new ATOM 0 HB3 ASN A 86 106.670 -22.904 0.243 1.00 0.00 H new ATOM 0 HD21 ASN A 86 110.100 -23.390 -2.086 1.00 0.00 H new ATOM 0 HD22 ASN A 86 110.139 -22.283 -0.710 1.00 0.00 H new ATOM 1361 N GLY A 87 106.481 -19.479 -1.495 1.00 0.00 N ATOM 1362 CA GLY A 87 105.756 -19.092 -2.739 1.00 0.00 C ATOM 1363 C GLY A 87 104.586 -20.050 -2.964 1.00 0.00 C ATOM 1364 O GLY A 87 104.204 -20.326 -4.084 1.00 0.00 O ATOM 0 H GLY A 87 106.563 -18.743 -0.793 1.00 0.00 H new ATOM 0 HA2 GLY A 87 105.391 -18.068 -2.657 1.00 0.00 H new ATOM 0 HA3 GLY A 87 106.434 -19.122 -3.592 1.00 0.00 H new ATOM 1368 N ARG A 88 104.011 -20.559 -1.909 1.00 0.00 N ATOM 1369 CA ARG A 88 102.867 -21.496 -2.063 1.00 0.00 C ATOM 1370 C ARG A 88 101.557 -20.710 -2.011 1.00 0.00 C ATOM 1371 O ARG A 88 100.544 -21.199 -1.552 1.00 0.00 O ATOM 1372 CB ARG A 88 102.892 -22.526 -0.932 1.00 0.00 C ATOM 1373 CG ARG A 88 102.125 -23.777 -1.362 1.00 0.00 C ATOM 1374 CD ARG A 88 101.762 -24.604 -0.127 1.00 0.00 C ATOM 1375 NE ARG A 88 101.564 -26.026 -0.525 1.00 0.00 N ATOM 1376 CZ ARG A 88 100.478 -26.381 -1.155 1.00 0.00 C ATOM 1377 NH1 ARG A 88 100.304 -27.627 -1.502 1.00 0.00 N ATOM 1378 NH2 ARG A 88 99.567 -25.492 -1.440 1.00 0.00 N ATOM 0 H ARG A 88 104.286 -20.365 -0.946 1.00 0.00 H new ATOM 0 HA ARG A 88 102.945 -22.011 -3.021 1.00 0.00 H new ATOM 0 HB2 ARG A 88 103.922 -22.785 -0.685 1.00 0.00 H new ATOM 0 HB3 ARG A 88 102.445 -22.104 -0.032 1.00 0.00 H new ATOM 0 HG2 ARG A 88 101.221 -23.495 -1.902 1.00 0.00 H new ATOM 0 HG3 ARG A 88 102.732 -24.371 -2.045 1.00 0.00 H new ATOM 0 HD2 ARG A 88 102.553 -24.530 0.619 1.00 0.00 H new ATOM 0 HD3 ARG A 88 100.854 -24.213 0.332 1.00 0.00 H new ATOM 0 HE ARG A 88 102.277 -26.722 -0.305 1.00 0.00 H new ATOM 0 HH11 ARG A 88 101.017 -28.322 -1.281 1.00 0.00 H new ATOM 0 HH12 ARG A 88 99.455 -27.905 -1.995 1.00 0.00 H new ATOM 0 HH21 ARG A 88 99.703 -24.518 -1.170 1.00 0.00 H new ATOM 0 HH22 ARG A 88 98.719 -25.771 -1.933 1.00 0.00 H new ATOM 1392 N ALA A 89 101.575 -19.495 -2.479 1.00 0.00 N ATOM 1393 CA ALA A 89 100.333 -18.670 -2.461 1.00 0.00 C ATOM 1394 C ALA A 89 100.249 -17.850 -3.750 1.00 0.00 C ATOM 1395 O ALA A 89 101.232 -17.654 -4.437 1.00 0.00 O ATOM 1396 CB ALA A 89 100.366 -17.726 -1.257 1.00 0.00 C ATOM 0 H ALA A 89 102.396 -19.036 -2.874 1.00 0.00 H new ATOM 0 HA ALA A 89 99.463 -19.322 -2.387 1.00 0.00 H new ATOM 0 HB1 ALA A 89 99.458 -17.122 -1.243 1.00 0.00 H new ATOM 0 HB2 ALA A 89 100.428 -18.310 -0.339 1.00 0.00 H new ATOM 0 HB3 ALA A 89 101.235 -17.073 -1.331 1.00 0.00 H new ATOM 1402 N VAL A 90 99.082 -17.369 -4.084 1.00 0.00 N ATOM 1403 CA VAL A 90 98.939 -16.564 -5.329 1.00 0.00 C ATOM 1404 C VAL A 90 99.024 -15.075 -4.985 1.00 0.00 C ATOM 1405 O VAL A 90 98.592 -14.647 -3.933 1.00 0.00 O ATOM 1406 CB VAL A 90 97.587 -16.862 -5.977 1.00 0.00 C ATOM 1407 CG1 VAL A 90 97.495 -16.137 -7.322 1.00 0.00 C ATOM 1408 CG2 VAL A 90 97.451 -18.369 -6.202 1.00 0.00 C ATOM 0 H VAL A 90 98.223 -17.499 -3.549 1.00 0.00 H new ATOM 0 HA VAL A 90 99.738 -16.823 -6.023 1.00 0.00 H new ATOM 0 HB VAL A 90 96.787 -16.518 -5.322 1.00 0.00 H new ATOM 0 HG11 VAL A 90 96.531 -16.349 -7.785 1.00 0.00 H new ATOM 0 HG12 VAL A 90 97.593 -15.063 -7.164 1.00 0.00 H new ATOM 0 HG13 VAL A 90 98.295 -16.482 -7.977 1.00 0.00 H new ATOM 0 HG21 VAL A 90 96.487 -18.582 -6.664 1.00 0.00 H new ATOM 0 HG22 VAL A 90 98.251 -18.713 -6.857 1.00 0.00 H new ATOM 0 HG23 VAL A 90 97.517 -18.887 -5.245 1.00 0.00 H new ATOM 1418 N GLN A 91 99.578 -14.285 -5.864 1.00 0.00 N ATOM 1419 CA GLN A 91 99.693 -12.823 -5.590 1.00 0.00 C ATOM 1420 C GLN A 91 98.768 -12.056 -6.538 1.00 0.00 C ATOM 1421 O GLN A 91 98.762 -12.283 -7.732 1.00 0.00 O ATOM 1422 CB GLN A 91 101.145 -12.369 -5.804 1.00 0.00 C ATOM 1423 CG GLN A 91 102.005 -13.563 -6.228 1.00 0.00 C ATOM 1424 CD GLN A 91 101.584 -14.027 -7.623 1.00 0.00 C ATOM 1425 OE1 GLN A 91 100.454 -13.831 -8.026 1.00 0.00 O ATOM 1426 NE2 GLN A 91 102.450 -14.638 -8.383 1.00 0.00 N ATOM 0 H GLN A 91 99.957 -14.589 -6.761 1.00 0.00 H new ATOM 0 HA GLN A 91 99.404 -12.622 -4.558 1.00 0.00 H new ATOM 0 HB2 GLN A 91 101.184 -11.592 -6.567 1.00 0.00 H new ATOM 0 HB3 GLN A 91 101.539 -11.934 -4.886 1.00 0.00 H new ATOM 0 HG2 GLN A 91 103.059 -13.283 -6.229 1.00 0.00 H new ATOM 0 HG3 GLN A 91 101.892 -14.378 -5.513 1.00 0.00 H new ATOM 0 HE21 GLN A 91 103.398 -14.803 -8.045 1.00 0.00 H new ATOM 0 HE22 GLN A 91 102.179 -14.951 -9.315 1.00 0.00 H new ATOM 1435 N HIS A 92 97.988 -11.149 -6.016 1.00 0.00 N ATOM 1436 CA HIS A 92 97.061 -10.367 -6.883 1.00 0.00 C ATOM 1437 C HIS A 92 97.463 -8.891 -6.856 1.00 0.00 C ATOM 1438 O HIS A 92 97.757 -8.337 -5.815 1.00 0.00 O ATOM 1439 CB HIS A 92 95.630 -10.510 -6.361 1.00 0.00 C ATOM 1440 CG HIS A 92 95.163 -11.927 -6.548 1.00 0.00 C ATOM 1441 ND1 HIS A 92 95.649 -13.123 -6.080 1.00 0.00 N flip ATOM 1442 CD2 HIS A 92 94.042 -12.241 -7.306 1.00 0.00 C flip ATOM 1443 CE1 HIS A 92 94.846 -14.160 -6.539 1.00 0.00 C flip ATOM 1444 NE2 HIS A 92 93.894 -13.579 -7.271 1.00 0.00 N flip ATOM 0 H HIS A 92 97.953 -10.915 -5.024 1.00 0.00 H new ATOM 0 HA HIS A 92 97.116 -10.744 -7.904 1.00 0.00 H new ATOM 0 HB2 HIS A 92 95.588 -10.239 -5.306 1.00 0.00 H new ATOM 0 HB3 HIS A 92 94.969 -9.826 -6.892 1.00 0.00 H new ATOM 0 HD2 HIS A 92 93.406 -11.541 -7.827 1.00 0.00 H new ATOM 0 HE1 HIS A 92 94.967 -15.215 -6.344 1.00 0.00 H new ATOM 0 HE2 HIS A 92 93.147 -14.086 -7.745 1.00 0.00 H new ATOM 1452 N ARG A 93 97.475 -8.248 -7.991 1.00 0.00 N ATOM 1453 CA ARG A 93 97.854 -6.808 -8.029 1.00 0.00 C ATOM 1454 C ARG A 93 96.591 -5.956 -8.167 1.00 0.00 C ATOM 1455 O ARG A 93 96.120 -5.698 -9.257 1.00 0.00 O ATOM 1456 CB ARG A 93 98.777 -6.552 -9.221 1.00 0.00 C ATOM 1457 CG ARG A 93 98.085 -6.992 -10.517 1.00 0.00 C ATOM 1458 CD ARG A 93 99.127 -7.521 -11.502 1.00 0.00 C ATOM 1459 NE ARG A 93 99.597 -8.862 -11.055 1.00 0.00 N ATOM 1460 CZ ARG A 93 100.095 -9.701 -11.924 1.00 0.00 C ATOM 1461 NH1 ARG A 93 100.507 -10.875 -11.532 1.00 0.00 N ATOM 1462 NH2 ARG A 93 100.179 -9.365 -13.181 1.00 0.00 N ATOM 0 H ARG A 93 97.238 -8.658 -8.894 1.00 0.00 H new ATOM 0 HA ARG A 93 98.374 -6.544 -7.108 1.00 0.00 H new ATOM 0 HB2 ARG A 93 99.031 -5.493 -9.275 1.00 0.00 H new ATOM 0 HB3 ARG A 93 99.711 -7.098 -9.093 1.00 0.00 H new ATOM 0 HG2 ARG A 93 97.347 -7.765 -10.303 1.00 0.00 H new ATOM 0 HG3 ARG A 93 97.548 -6.152 -10.957 1.00 0.00 H new ATOM 0 HD2 ARG A 93 98.697 -7.589 -12.501 1.00 0.00 H new ATOM 0 HD3 ARG A 93 99.968 -6.831 -11.563 1.00 0.00 H new ATOM 0 HE ARG A 93 99.530 -9.125 -10.072 1.00 0.00 H new ATOM 0 HH11 ARG A 93 100.440 -11.137 -10.548 1.00 0.00 H new ATOM 0 HH12 ARG A 93 100.896 -11.531 -12.209 1.00 0.00 H new ATOM 0 HH21 ARG A 93 99.856 -8.447 -13.486 1.00 0.00 H new ATOM 0 HH22 ARG A 93 100.568 -10.020 -13.859 1.00 0.00 H new ATOM 1476 N GLU A 94 96.036 -5.517 -7.071 1.00 0.00 N ATOM 1477 CA GLU A 94 94.803 -4.686 -7.140 1.00 0.00 C ATOM 1478 C GLU A 94 95.185 -3.204 -7.160 1.00 0.00 C ATOM 1479 O GLU A 94 95.938 -2.735 -6.331 1.00 0.00 O ATOM 1480 CB GLU A 94 93.926 -4.970 -5.919 1.00 0.00 C ATOM 1481 CG GLU A 94 93.808 -6.482 -5.716 1.00 0.00 C ATOM 1482 CD GLU A 94 92.582 -6.788 -4.853 1.00 0.00 C ATOM 1483 OE1 GLU A 94 92.735 -6.869 -3.646 1.00 0.00 O ATOM 1484 OE2 GLU A 94 91.508 -6.937 -5.416 1.00 0.00 O ATOM 0 H GLU A 94 96.384 -5.699 -6.130 1.00 0.00 H new ATOM 0 HA GLU A 94 94.252 -4.931 -8.048 1.00 0.00 H new ATOM 0 HB2 GLU A 94 94.358 -4.506 -5.032 1.00 0.00 H new ATOM 0 HB3 GLU A 94 92.937 -4.533 -6.058 1.00 0.00 H new ATOM 0 HG2 GLU A 94 93.721 -6.983 -6.680 1.00 0.00 H new ATOM 0 HG3 GLU A 94 94.708 -6.866 -5.237 1.00 0.00 H new ATOM 1491 N VAL A 95 94.665 -2.463 -8.102 1.00 0.00 N ATOM 1492 CA VAL A 95 94.991 -1.013 -8.179 1.00 0.00 C ATOM 1493 C VAL A 95 93.699 -0.215 -8.370 1.00 0.00 C ATOM 1494 O VAL A 95 92.672 -0.756 -8.728 1.00 0.00 O ATOM 1495 CB VAL A 95 95.927 -0.762 -9.363 1.00 0.00 C ATOM 1496 CG1 VAL A 95 96.507 0.650 -9.264 1.00 0.00 C ATOM 1497 CG2 VAL A 95 97.066 -1.783 -9.336 1.00 0.00 C ATOM 0 H VAL A 95 94.027 -2.802 -8.822 1.00 0.00 H new ATOM 0 HA VAL A 95 95.482 -0.699 -7.258 1.00 0.00 H new ATOM 0 HB VAL A 95 95.370 -0.862 -10.295 1.00 0.00 H new ATOM 0 HG11 VAL A 95 97.174 0.829 -10.107 1.00 0.00 H new ATOM 0 HG12 VAL A 95 95.696 1.378 -9.281 1.00 0.00 H new ATOM 0 HG13 VAL A 95 97.065 0.750 -8.333 1.00 0.00 H new ATOM 0 HG21 VAL A 95 97.734 -1.606 -10.179 1.00 0.00 H new ATOM 0 HG22 VAL A 95 97.623 -1.682 -8.404 1.00 0.00 H new ATOM 0 HG23 VAL A 95 96.654 -2.790 -9.405 1.00 0.00 H new ATOM 1507 N GLN A 96 93.741 1.068 -8.132 1.00 0.00 N ATOM 1508 CA GLN A 96 92.514 1.893 -8.300 1.00 0.00 C ATOM 1509 C GLN A 96 92.063 1.843 -9.762 1.00 0.00 C ATOM 1510 O GLN A 96 92.751 2.304 -10.650 1.00 0.00 O ATOM 1511 CB GLN A 96 92.817 3.343 -7.904 1.00 0.00 C ATOM 1512 CG GLN A 96 91.620 3.937 -7.157 1.00 0.00 C ATOM 1513 CD GLN A 96 90.405 3.984 -8.085 1.00 0.00 C ATOM 1514 OE1 GLN A 96 90.047 2.992 -8.686 1.00 0.00 O ATOM 1515 NE2 GLN A 96 89.750 5.104 -8.227 1.00 0.00 N ATOM 0 H GLN A 96 94.571 1.578 -7.829 1.00 0.00 H new ATOM 0 HA GLN A 96 91.721 1.502 -7.663 1.00 0.00 H new ATOM 0 HB2 GLN A 96 93.705 3.379 -7.274 1.00 0.00 H new ATOM 0 HB3 GLN A 96 93.033 3.935 -8.793 1.00 0.00 H new ATOM 0 HG2 GLN A 96 91.394 3.336 -6.276 1.00 0.00 H new ATOM 0 HG3 GLN A 96 91.860 4.940 -6.805 1.00 0.00 H new ATOM 0 HE21 GLN A 96 90.050 5.938 -7.722 1.00 0.00 H new ATOM 0 HE22 GLN A 96 88.938 5.145 -8.843 1.00 0.00 H new ATOM 1524 N GLY A 97 90.910 1.288 -10.019 1.00 0.00 N ATOM 1525 CA GLY A 97 90.416 1.211 -11.423 1.00 0.00 C ATOM 1526 C GLY A 97 90.888 -0.097 -12.062 1.00 0.00 C ATOM 1527 O GLY A 97 90.693 -0.329 -13.238 1.00 0.00 O ATOM 0 H GLY A 97 90.289 0.885 -9.318 1.00 0.00 H new ATOM 0 HA2 GLY A 97 89.327 1.264 -11.440 1.00 0.00 H new ATOM 0 HA3 GLY A 97 90.785 2.062 -11.996 1.00 0.00 H new ATOM 1531 N PHE A 98 91.509 -0.951 -11.295 1.00 0.00 N ATOM 1532 CA PHE A 98 91.991 -2.243 -11.860 1.00 0.00 C ATOM 1533 C PHE A 98 91.822 -3.351 -10.819 1.00 0.00 C ATOM 1534 O PHE A 98 92.600 -4.281 -10.756 1.00 0.00 O ATOM 1535 CB PHE A 98 93.471 -2.112 -12.235 1.00 0.00 C ATOM 1536 CG PHE A 98 93.782 -3.030 -13.393 1.00 0.00 C ATOM 1537 CD1 PHE A 98 94.251 -4.327 -13.154 1.00 0.00 C ATOM 1538 CD2 PHE A 98 93.604 -2.581 -14.707 1.00 0.00 C ATOM 1539 CE1 PHE A 98 94.539 -5.176 -14.227 1.00 0.00 C ATOM 1540 CE2 PHE A 98 93.893 -3.432 -15.782 1.00 0.00 C ATOM 1541 CZ PHE A 98 94.361 -4.729 -15.543 1.00 0.00 C ATOM 0 H PHE A 98 91.703 -0.810 -10.304 1.00 0.00 H new ATOM 0 HA PHE A 98 91.411 -2.492 -12.749 1.00 0.00 H new ATOM 0 HB2 PHE A 98 93.699 -1.081 -12.504 1.00 0.00 H new ATOM 0 HB3 PHE A 98 94.097 -2.364 -11.379 1.00 0.00 H new ATOM 0 HD1 PHE A 98 94.390 -4.672 -12.140 1.00 0.00 H new ATOM 0 HD2 PHE A 98 93.244 -1.580 -14.892 1.00 0.00 H new ATOM 0 HE1 PHE A 98 94.899 -6.177 -14.041 1.00 0.00 H new ATOM 0 HE2 PHE A 98 93.754 -3.087 -16.796 1.00 0.00 H new ATOM 0 HZ PHE A 98 94.585 -5.384 -16.372 1.00 0.00 H new ATOM 1551 N GLU A 99 90.809 -3.257 -10.000 1.00 0.00 N ATOM 1552 CA GLU A 99 90.589 -4.305 -8.963 1.00 0.00 C ATOM 1553 C GLU A 99 90.847 -5.687 -9.569 1.00 0.00 C ATOM 1554 O GLU A 99 90.894 -5.848 -10.771 1.00 0.00 O ATOM 1555 CB GLU A 99 89.145 -4.230 -8.461 1.00 0.00 C ATOM 1556 CG GLU A 99 88.898 -2.861 -7.823 1.00 0.00 C ATOM 1557 CD GLU A 99 88.666 -1.822 -8.921 1.00 0.00 C ATOM 1558 OE1 GLU A 99 87.544 -1.724 -9.391 1.00 0.00 O ATOM 1559 OE2 GLU A 99 89.614 -1.140 -9.275 1.00 0.00 O ATOM 0 H GLU A 99 90.125 -2.500 -10.005 1.00 0.00 H new ATOM 0 HA GLU A 99 91.273 -4.141 -8.130 1.00 0.00 H new ATOM 0 HB2 GLU A 99 88.452 -4.388 -9.288 1.00 0.00 H new ATOM 0 HB3 GLU A 99 88.960 -5.021 -7.734 1.00 0.00 H new ATOM 0 HG2 GLU A 99 88.033 -2.907 -7.162 1.00 0.00 H new ATOM 0 HG3 GLU A 99 89.752 -2.574 -7.210 1.00 0.00 H new ATOM 1566 N SER A 100 91.012 -6.685 -8.744 1.00 0.00 N ATOM 1567 CA SER A 100 91.268 -8.053 -9.274 1.00 0.00 C ATOM 1568 C SER A 100 89.934 -8.738 -9.584 1.00 0.00 C ATOM 1569 O SER A 100 88.893 -8.336 -9.107 1.00 0.00 O ATOM 1570 CB SER A 100 92.029 -8.871 -8.230 1.00 0.00 C ATOM 1571 OG SER A 100 91.554 -10.211 -8.246 1.00 0.00 O ATOM 0 H SER A 100 90.981 -6.612 -7.727 1.00 0.00 H new ATOM 0 HA SER A 100 91.862 -7.984 -10.185 1.00 0.00 H new ATOM 0 HB2 SER A 100 93.098 -8.849 -8.443 1.00 0.00 H new ATOM 0 HB3 SER A 100 91.892 -8.436 -7.240 1.00 0.00 H new ATOM 0 HG SER A 100 91.644 -10.601 -7.351 1.00 0.00 H new ATOM 1577 N ALA A 101 89.959 -9.772 -10.381 1.00 0.00 N ATOM 1578 CA ALA A 101 88.693 -10.480 -10.723 1.00 0.00 C ATOM 1579 C ALA A 101 88.204 -11.267 -9.506 1.00 0.00 C ATOM 1580 O ALA A 101 87.123 -11.039 -8.999 1.00 0.00 O ATOM 1581 CB ALA A 101 88.945 -11.443 -11.884 1.00 0.00 C ATOM 0 H ALA A 101 90.801 -10.156 -10.810 1.00 0.00 H new ATOM 0 HA ALA A 101 87.936 -9.751 -11.013 1.00 0.00 H new ATOM 0 HB1 ALA A 101 88.019 -11.961 -12.134 1.00 0.00 H new ATOM 0 HB2 ALA A 101 89.294 -10.883 -12.752 1.00 0.00 H new ATOM 0 HB3 ALA A 101 89.702 -12.172 -11.594 1.00 0.00 H new ATOM 1587 N THR A 102 88.991 -12.193 -9.030 1.00 0.00 N ATOM 1588 CA THR A 102 88.569 -12.993 -7.846 1.00 0.00 C ATOM 1589 C THR A 102 88.027 -12.055 -6.768 1.00 0.00 C ATOM 1590 O THR A 102 87.038 -12.339 -6.122 1.00 0.00 O ATOM 1591 CB THR A 102 89.771 -13.766 -7.297 1.00 0.00 C ATOM 1592 OG1 THR A 102 90.229 -14.684 -8.279 1.00 0.00 O ATOM 1593 CG2 THR A 102 89.359 -14.527 -6.037 1.00 0.00 C ATOM 0 H THR A 102 89.908 -12.430 -9.410 1.00 0.00 H new ATOM 0 HA THR A 102 87.791 -13.697 -8.140 1.00 0.00 H new ATOM 0 HB THR A 102 90.571 -13.068 -7.050 1.00 0.00 H new ATOM 0 HG1 THR A 102 91.000 -15.179 -7.930 1.00 0.00 H new ATOM 0 HG21 THR A 102 90.216 -15.077 -5.647 1.00 0.00 H new ATOM 0 HG22 THR A 102 89.008 -13.821 -5.284 1.00 0.00 H new ATOM 0 HG23 THR A 102 88.559 -15.226 -6.280 1.00 0.00 H new ATOM 1601 N PHE A 103 88.670 -10.940 -6.568 1.00 0.00 N ATOM 1602 CA PHE A 103 88.195 -9.980 -5.532 1.00 0.00 C ATOM 1603 C PHE A 103 86.881 -9.344 -5.993 1.00 0.00 C ATOM 1604 O PHE A 103 85.963 -9.164 -5.218 1.00 0.00 O ATOM 1605 CB PHE A 103 89.250 -8.887 -5.326 1.00 0.00 C ATOM 1606 CG PHE A 103 90.087 -9.212 -4.110 1.00 0.00 C ATOM 1607 CD1 PHE A 103 90.463 -10.537 -3.852 1.00 0.00 C ATOM 1608 CD2 PHE A 103 90.487 -8.190 -3.242 1.00 0.00 C ATOM 1609 CE1 PHE A 103 91.237 -10.837 -2.725 1.00 0.00 C ATOM 1610 CE2 PHE A 103 91.261 -8.490 -2.116 1.00 0.00 C ATOM 1611 CZ PHE A 103 91.636 -9.814 -1.857 1.00 0.00 C ATOM 0 H PHE A 103 89.505 -10.651 -7.077 1.00 0.00 H new ATOM 0 HA PHE A 103 88.033 -10.508 -4.592 1.00 0.00 H new ATOM 0 HB2 PHE A 103 89.886 -8.811 -6.208 1.00 0.00 H new ATOM 0 HB3 PHE A 103 88.765 -7.919 -5.198 1.00 0.00 H new ATOM 0 HD1 PHE A 103 90.156 -11.326 -4.522 1.00 0.00 H new ATOM 0 HD2 PHE A 103 90.198 -7.169 -3.442 1.00 0.00 H new ATOM 0 HE1 PHE A 103 91.526 -11.858 -2.525 1.00 0.00 H new ATOM 0 HE2 PHE A 103 91.569 -7.701 -1.447 1.00 0.00 H new ATOM 0 HZ PHE A 103 92.233 -10.046 -0.987 1.00 0.00 H new ATOM 1621 N LEU A 104 86.782 -9.002 -7.249 1.00 0.00 N ATOM 1622 CA LEU A 104 85.528 -8.379 -7.754 1.00 0.00 C ATOM 1623 C LEU A 104 84.354 -9.329 -7.512 1.00 0.00 C ATOM 1624 O LEU A 104 83.214 -8.916 -7.436 1.00 0.00 O ATOM 1625 CB LEU A 104 85.661 -8.105 -9.256 1.00 0.00 C ATOM 1626 CG LEU A 104 86.287 -6.725 -9.472 1.00 0.00 C ATOM 1627 CD1 LEU A 104 86.986 -6.689 -10.832 1.00 0.00 C ATOM 1628 CD2 LEU A 104 85.192 -5.657 -9.435 1.00 0.00 C ATOM 0 H LEU A 104 87.516 -9.128 -7.946 1.00 0.00 H new ATOM 0 HA LEU A 104 85.352 -7.441 -7.228 1.00 0.00 H new ATOM 0 HB2 LEU A 104 86.278 -8.873 -9.723 1.00 0.00 H new ATOM 0 HB3 LEU A 104 84.682 -8.150 -9.732 1.00 0.00 H new ATOM 0 HG LEU A 104 87.014 -6.529 -8.684 1.00 0.00 H new ATOM 0 HD11 LEU A 104 87.432 -5.706 -10.986 1.00 0.00 H new ATOM 0 HD12 LEU A 104 87.766 -7.450 -10.860 1.00 0.00 H new ATOM 0 HD13 LEU A 104 86.259 -6.885 -11.620 1.00 0.00 H new ATOM 0 HD21 LEU A 104 85.637 -4.674 -9.589 1.00 0.00 H new ATOM 0 HD22 LEU A 104 84.465 -5.854 -10.223 1.00 0.00 H new ATOM 0 HD23 LEU A 104 84.692 -5.682 -8.467 1.00 0.00 H new ATOM 1640 N GLY A 105 84.623 -10.602 -7.392 1.00 0.00 N ATOM 1641 CA GLY A 105 83.523 -11.580 -7.157 1.00 0.00 C ATOM 1642 C GLY A 105 83.548 -12.043 -5.699 1.00 0.00 C ATOM 1643 O GLY A 105 82.616 -12.657 -5.217 1.00 0.00 O ATOM 0 H GLY A 105 85.558 -11.006 -7.447 1.00 0.00 H new ATOM 0 HA2 GLY A 105 82.561 -11.122 -7.387 1.00 0.00 H new ATOM 0 HA3 GLY A 105 83.636 -12.436 -7.823 1.00 0.00 H new ATOM 1647 N TYR A 106 84.606 -11.757 -4.992 1.00 0.00 N ATOM 1648 CA TYR A 106 84.688 -12.185 -3.568 1.00 0.00 C ATOM 1649 C TYR A 106 84.028 -11.132 -2.677 1.00 0.00 C ATOM 1650 O TYR A 106 83.376 -11.449 -1.702 1.00 0.00 O ATOM 1651 CB TYR A 106 86.156 -12.346 -3.165 1.00 0.00 C ATOM 1652 CG TYR A 106 86.238 -13.093 -1.856 1.00 0.00 C ATOM 1653 CD1 TYR A 106 86.517 -14.465 -1.849 1.00 0.00 C ATOM 1654 CD2 TYR A 106 86.038 -12.413 -0.648 1.00 0.00 C ATOM 1655 CE1 TYR A 106 86.593 -15.157 -0.634 1.00 0.00 C ATOM 1656 CE2 TYR A 106 86.117 -13.105 0.567 1.00 0.00 C ATOM 1657 CZ TYR A 106 86.393 -14.478 0.573 1.00 0.00 C ATOM 1658 OH TYR A 106 86.470 -15.160 1.770 1.00 0.00 O ATOM 0 H TYR A 106 85.417 -11.245 -5.339 1.00 0.00 H new ATOM 0 HA TYR A 106 84.172 -13.137 -3.447 1.00 0.00 H new ATOM 0 HB2 TYR A 106 86.700 -12.887 -3.940 1.00 0.00 H new ATOM 0 HB3 TYR A 106 86.627 -11.368 -3.068 1.00 0.00 H new ATOM 0 HD1 TYR A 106 86.674 -14.989 -2.780 1.00 0.00 H new ATOM 0 HD2 TYR A 106 85.823 -11.355 -0.653 1.00 0.00 H new ATOM 0 HE1 TYR A 106 86.806 -16.216 -0.629 1.00 0.00 H new ATOM 0 HE2 TYR A 106 85.965 -12.580 1.499 1.00 0.00 H new ATOM 0 HH TYR A 106 86.307 -14.540 2.511 1.00 0.00 H new ATOM 1668 N PHE A 107 84.195 -9.880 -3.003 1.00 0.00 N ATOM 1669 CA PHE A 107 83.582 -8.806 -2.175 1.00 0.00 C ATOM 1670 C PHE A 107 82.131 -8.585 -2.611 1.00 0.00 C ATOM 1671 O PHE A 107 81.862 -8.211 -3.735 1.00 0.00 O ATOM 1672 CB PHE A 107 84.372 -7.509 -2.357 1.00 0.00 C ATOM 1673 CG PHE A 107 85.601 -7.539 -1.479 1.00 0.00 C ATOM 1674 CD1 PHE A 107 85.596 -6.882 -0.245 1.00 0.00 C ATOM 1675 CD2 PHE A 107 86.746 -8.225 -1.904 1.00 0.00 C ATOM 1676 CE1 PHE A 107 86.736 -6.909 0.568 1.00 0.00 C ATOM 1677 CE2 PHE A 107 87.885 -8.254 -1.090 1.00 0.00 C ATOM 1678 CZ PHE A 107 87.880 -7.596 0.146 1.00 0.00 C ATOM 0 H PHE A 107 84.730 -9.555 -3.808 1.00 0.00 H new ATOM 0 HA PHE A 107 83.603 -9.102 -1.126 1.00 0.00 H new ATOM 0 HB2 PHE A 107 84.661 -7.391 -3.401 1.00 0.00 H new ATOM 0 HB3 PHE A 107 83.749 -6.652 -2.100 1.00 0.00 H new ATOM 0 HD1 PHE A 107 84.713 -6.353 0.081 1.00 0.00 H new ATOM 0 HD2 PHE A 107 86.750 -8.731 -2.858 1.00 0.00 H new ATOM 0 HE1 PHE A 107 86.732 -6.400 1.520 1.00 0.00 H new ATOM 0 HE2 PHE A 107 88.768 -8.784 -1.416 1.00 0.00 H new ATOM 0 HZ PHE A 107 88.759 -7.619 0.774 1.00 0.00 H new ATOM 1688 N LYS A 108 81.196 -8.814 -1.728 1.00 0.00 N ATOM 1689 CA LYS A 108 79.762 -8.616 -2.087 1.00 0.00 C ATOM 1690 C LYS A 108 79.181 -7.475 -1.248 1.00 0.00 C ATOM 1691 O LYS A 108 78.008 -7.167 -1.329 1.00 0.00 O ATOM 1692 CB LYS A 108 78.984 -9.906 -1.805 1.00 0.00 C ATOM 1693 CG LYS A 108 78.893 -10.741 -3.086 1.00 0.00 C ATOM 1694 CD LYS A 108 77.702 -10.268 -3.921 1.00 0.00 C ATOM 1695 CE LYS A 108 77.586 -11.129 -5.180 1.00 0.00 C ATOM 1696 NZ LYS A 108 76.227 -10.966 -5.769 1.00 0.00 N ATOM 0 H LYS A 108 81.364 -9.130 -0.773 1.00 0.00 H new ATOM 0 HA LYS A 108 79.681 -8.367 -3.145 1.00 0.00 H new ATOM 0 HB2 LYS A 108 79.480 -10.478 -1.021 1.00 0.00 H new ATOM 0 HB3 LYS A 108 77.984 -9.668 -1.442 1.00 0.00 H new ATOM 0 HG2 LYS A 108 79.814 -10.646 -3.661 1.00 0.00 H new ATOM 0 HG3 LYS A 108 78.780 -11.796 -2.837 1.00 0.00 H new ATOM 0 HD2 LYS A 108 76.785 -10.335 -3.336 1.00 0.00 H new ATOM 0 HD3 LYS A 108 77.829 -9.221 -4.195 1.00 0.00 H new ATOM 0 HE2 LYS A 108 78.346 -10.837 -5.905 1.00 0.00 H new ATOM 0 HE3 LYS A 108 77.765 -12.176 -4.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 76.147 -11.551 -6.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 75.511 -11.265 -5.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 76.073 -9.968 -6.016 1.00 0.00 H new ATOM 1710 N SER A 109 79.992 -6.846 -0.443 1.00 0.00 N ATOM 1711 CA SER A 109 79.487 -5.726 0.400 1.00 0.00 C ATOM 1712 C SER A 109 79.616 -4.409 -0.368 1.00 0.00 C ATOM 1713 O SER A 109 79.191 -3.367 0.092 1.00 0.00 O ATOM 1714 CB SER A 109 80.307 -5.649 1.689 1.00 0.00 C ATOM 1715 OG SER A 109 80.566 -6.964 2.160 1.00 0.00 O ATOM 0 H SER A 109 80.983 -7.059 -0.332 1.00 0.00 H new ATOM 0 HA SER A 109 78.439 -5.900 0.646 1.00 0.00 H new ATOM 0 HB2 SER A 109 81.245 -5.125 1.506 1.00 0.00 H new ATOM 0 HB3 SER A 109 79.766 -5.080 2.445 1.00 0.00 H new ATOM 0 HG SER A 109 81.013 -6.917 3.031 1.00 0.00 H new ATOM 1721 N GLY A 110 80.202 -4.445 -1.533 1.00 0.00 N ATOM 1722 CA GLY A 110 80.359 -3.194 -2.328 1.00 0.00 C ATOM 1723 C GLY A 110 81.573 -2.415 -1.823 1.00 0.00 C ATOM 1724 O GLY A 110 81.499 -1.690 -0.851 1.00 0.00 O ATOM 0 H GLY A 110 80.579 -5.287 -1.969 1.00 0.00 H new ATOM 0 HA2 GLY A 110 80.482 -3.435 -3.384 1.00 0.00 H new ATOM 0 HA3 GLY A 110 79.461 -2.582 -2.244 1.00 0.00 H new ATOM 1728 N LEU A 111 82.696 -2.562 -2.472 1.00 0.00 N ATOM 1729 CA LEU A 111 83.916 -1.831 -2.029 1.00 0.00 C ATOM 1730 C LEU A 111 83.833 -0.374 -2.487 1.00 0.00 C ATOM 1731 O LEU A 111 83.022 -0.020 -3.319 1.00 0.00 O ATOM 1732 CB LEU A 111 85.155 -2.490 -2.640 1.00 0.00 C ATOM 1733 CG LEU A 111 84.815 -3.037 -4.028 1.00 0.00 C ATOM 1734 CD1 LEU A 111 86.069 -3.024 -4.904 1.00 0.00 C ATOM 1735 CD2 LEU A 111 84.302 -4.475 -3.900 1.00 0.00 C ATOM 0 H LEU A 111 82.821 -3.158 -3.291 1.00 0.00 H new ATOM 0 HA LEU A 111 83.986 -1.865 -0.942 1.00 0.00 H new ATOM 0 HB2 LEU A 111 85.966 -1.765 -2.712 1.00 0.00 H new ATOM 0 HB3 LEU A 111 85.505 -3.297 -1.996 1.00 0.00 H new ATOM 0 HG LEU A 111 84.045 -2.414 -4.483 1.00 0.00 H new ATOM 0 HD11 LEU A 111 85.826 -3.414 -5.893 1.00 0.00 H new ATOM 0 HD12 LEU A 111 86.437 -2.002 -4.997 1.00 0.00 H new ATOM 0 HD13 LEU A 111 86.838 -3.647 -4.447 1.00 0.00 H new ATOM 0 HD21 LEU A 111 84.060 -4.864 -4.889 1.00 0.00 H new ATOM 0 HD22 LEU A 111 85.072 -5.097 -3.444 1.00 0.00 H new ATOM 0 HD23 LEU A 111 83.408 -4.488 -3.276 1.00 0.00 H new ATOM 1747 N LYS A 112 84.667 0.475 -1.950 1.00 0.00 N ATOM 1748 CA LYS A 112 84.637 1.907 -2.356 1.00 0.00 C ATOM 1749 C LYS A 112 85.984 2.558 -2.031 1.00 0.00 C ATOM 1750 O LYS A 112 86.680 2.147 -1.123 1.00 0.00 O ATOM 1751 CB LYS A 112 83.525 2.631 -1.593 1.00 0.00 C ATOM 1752 CG LYS A 112 82.162 2.175 -2.120 1.00 0.00 C ATOM 1753 CD LYS A 112 81.087 3.178 -1.694 1.00 0.00 C ATOM 1754 CE LYS A 112 81.227 3.470 -0.198 1.00 0.00 C ATOM 1755 NZ LYS A 112 80.027 4.217 0.276 1.00 0.00 N ATOM 0 H LYS A 112 85.368 0.238 -1.248 1.00 0.00 H new ATOM 0 HA LYS A 112 84.448 1.976 -3.427 1.00 0.00 H new ATOM 0 HB2 LYS A 112 83.604 2.419 -0.527 1.00 0.00 H new ATOM 0 HB3 LYS A 112 83.630 3.709 -1.712 1.00 0.00 H new ATOM 0 HG2 LYS A 112 82.189 2.095 -3.207 1.00 0.00 H new ATOM 0 HG3 LYS A 112 81.924 1.184 -1.733 1.00 0.00 H new ATOM 0 HD2 LYS A 112 81.187 4.100 -2.266 1.00 0.00 H new ATOM 0 HD3 LYS A 112 80.096 2.777 -1.906 1.00 0.00 H new ATOM 0 HE2 LYS A 112 81.331 2.538 0.357 1.00 0.00 H new ATOM 0 HE3 LYS A 112 82.129 4.054 -0.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 80.121 4.416 1.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 79.947 5.113 -0.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 79.175 3.644 0.113 1.00 0.00 H new ATOM 1769 N TYR A 113 86.355 3.570 -2.767 1.00 0.00 N ATOM 1770 CA TYR A 113 87.656 4.247 -2.501 1.00 0.00 C ATOM 1771 C TYR A 113 87.406 5.547 -1.733 1.00 0.00 C ATOM 1772 O TYR A 113 86.646 6.394 -2.159 1.00 0.00 O ATOM 1773 CB TYR A 113 88.345 4.565 -3.830 1.00 0.00 C ATOM 1774 CG TYR A 113 88.433 3.309 -4.664 1.00 0.00 C ATOM 1775 CD1 TYR A 113 89.293 2.274 -4.282 1.00 0.00 C ATOM 1776 CD2 TYR A 113 87.654 3.183 -5.821 1.00 0.00 C ATOM 1777 CE1 TYR A 113 89.374 1.110 -5.056 1.00 0.00 C ATOM 1778 CE2 TYR A 113 87.736 2.019 -6.595 1.00 0.00 C ATOM 1779 CZ TYR A 113 88.596 0.983 -6.212 1.00 0.00 C ATOM 1780 OH TYR A 113 88.676 -0.165 -6.976 1.00 0.00 O ATOM 0 H TYR A 113 85.814 3.957 -3.540 1.00 0.00 H new ATOM 0 HA TYR A 113 88.293 3.591 -1.908 1.00 0.00 H new ATOM 0 HB2 TYR A 113 87.787 5.332 -4.367 1.00 0.00 H new ATOM 0 HB3 TYR A 113 89.343 4.964 -3.648 1.00 0.00 H new ATOM 0 HD1 TYR A 113 89.894 2.373 -3.390 1.00 0.00 H new ATOM 0 HD2 TYR A 113 86.991 3.983 -6.116 1.00 0.00 H new ATOM 0 HE1 TYR A 113 90.037 0.310 -4.761 1.00 0.00 H new ATOM 0 HE2 TYR A 113 87.136 1.921 -7.487 1.00 0.00 H new ATOM 0 HH TYR A 113 89.408 -0.078 -7.621 1.00 0.00 H new ATOM 1790 N LYS A 114 88.039 5.713 -0.605 1.00 0.00 N ATOM 1791 CA LYS A 114 87.836 6.958 0.187 1.00 0.00 C ATOM 1792 C LYS A 114 88.738 8.066 -0.363 1.00 0.00 C ATOM 1793 O LYS A 114 89.946 7.942 -0.386 1.00 0.00 O ATOM 1794 CB LYS A 114 88.188 6.693 1.654 1.00 0.00 C ATOM 1795 CG LYS A 114 87.352 7.605 2.554 1.00 0.00 C ATOM 1796 CD LYS A 114 87.546 9.061 2.128 1.00 0.00 C ATOM 1797 CE LYS A 114 87.061 9.989 3.244 1.00 0.00 C ATOM 1798 NZ LYS A 114 85.764 9.486 3.779 1.00 0.00 N ATOM 0 H LYS A 114 88.688 5.040 -0.197 1.00 0.00 H new ATOM 0 HA LYS A 114 86.794 7.269 0.114 1.00 0.00 H new ATOM 0 HB2 LYS A 114 87.999 5.648 1.901 1.00 0.00 H new ATOM 0 HB3 LYS A 114 89.250 6.873 1.822 1.00 0.00 H new ATOM 0 HG2 LYS A 114 86.299 7.333 2.487 1.00 0.00 H new ATOM 0 HG3 LYS A 114 87.649 7.477 3.595 1.00 0.00 H new ATOM 0 HD2 LYS A 114 88.598 9.251 1.914 1.00 0.00 H new ATOM 0 HD3 LYS A 114 86.993 9.259 1.210 1.00 0.00 H new ATOM 0 HE2 LYS A 114 87.803 10.035 4.042 1.00 0.00 H new ATOM 0 HE3 LYS A 114 86.941 11.003 2.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 85.255 10.265 4.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 85.187 9.113 2.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 85.943 8.729 4.469 1.00 0.00 H new ATOM 1812 N LYS A 115 88.160 9.148 -0.807 1.00 0.00 N ATOM 1813 CA LYS A 115 88.984 10.262 -1.355 1.00 0.00 C ATOM 1814 C LYS A 115 89.515 11.116 -0.203 1.00 0.00 C ATOM 1815 O LYS A 115 88.820 11.381 0.759 1.00 0.00 O ATOM 1816 CB LYS A 115 88.123 11.126 -2.277 1.00 0.00 C ATOM 1817 CG LYS A 115 87.829 10.363 -3.570 1.00 0.00 C ATOM 1818 CD LYS A 115 88.963 10.594 -4.572 1.00 0.00 C ATOM 1819 CE LYS A 115 88.645 9.870 -5.881 1.00 0.00 C ATOM 1820 NZ LYS A 115 89.774 10.053 -6.837 1.00 0.00 N ATOM 0 H LYS A 115 87.153 9.309 -0.814 1.00 0.00 H new ATOM 0 HA LYS A 115 89.822 9.852 -1.919 1.00 0.00 H new ATOM 0 HB2 LYS A 115 87.190 11.390 -1.778 1.00 0.00 H new ATOM 0 HB3 LYS A 115 88.638 12.059 -2.503 1.00 0.00 H new ATOM 0 HG2 LYS A 115 87.727 9.298 -3.361 1.00 0.00 H new ATOM 0 HG3 LYS A 115 86.882 10.697 -3.994 1.00 0.00 H new ATOM 0 HD2 LYS A 115 89.088 11.661 -4.756 1.00 0.00 H new ATOM 0 HD3 LYS A 115 89.905 10.229 -4.162 1.00 0.00 H new ATOM 0 HE2 LYS A 115 88.483 8.809 -5.692 1.00 0.00 H new ATOM 0 HE3 LYS A 115 87.723 10.262 -6.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 89.558 9.561 -7.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 89.908 11.067 -7.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 90.644 9.659 -6.426 1.00 0.00 H new