USER MOD reduce.3.24.130724 H: found=0, std=0, add=1069, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1069 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 109 TYR OH : rot 130:sc= -0.0479 USER MOD Set 1.2: A 113 LYS NZ :NH3+ -169:sc= 0.903 (180deg=-0.981) USER MOD Set 2.1: A 79 GLN : amide:sc= -0.82 K(o=-1.9,f=-1.3) USER MOD Set 2.2: A 83 LYS NZ :NH3+ 151:sc= -1.03 (180deg=-2.53!) USER MOD Set 3.1: A 9 GLN : amide:sc= -1.93! C(o=-4.9!,f=-9.7!) USER MOD Set 3.2: A 12 GLN : amide:sc= -3.02! C(o=-4.9!,f=-8!) USER MOD Single : A 5 SER OG : rot 180:sc= -0.177 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -6.25! C(o=-6.2!,f=-2.5!) USER MOD Single : A 17 TYR OH : rot 180:sc=-0.00751 USER MOD Single : A 20 ASN : amide:sc= -5.35! C(o=-5.4!,f=-19!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot -105:sc= -1.1 USER MOD Single : A 36 MET CE :methyl -173:sc= -4.59! (180deg=-4.94!) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0162 USER MOD Single : A 44 ASN : amide:sc= -1.85! C(o=-1.8!,f=-11!) USER MOD Single : A 49 MET CE :methyl 152:sc= -0.275 (180deg=-1.81!) USER MOD Single : A 51 LYS NZ :NH3+ 163:sc= -0.0195 (180deg=-0.256) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= -1.33 USER MOD Single : A 61 ASN : amide:sc= -2.03! C(o=-2!,f=-2.5!) USER MOD Single : A 74 ASN : amide:sc= -1.16 K(o=-1.2,f=-2.8!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 HIS : no HE2:sc= -1.31 K(o=-1.3,f=-2.9!) USER MOD Single : A 89 SER OG : rot 11:sc= 0.751 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 65:sc= 0.773 USER MOD Single : A 93 SER OG : rot 180:sc= -0.25 USER MOD Single : A 97 THR OG1 : rot 80:sc= 0.988 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -1.32 K(o=-1.3,f=-3.3!) USER MOD Single : A 102 TYR OH : rot 5:sc= -0.821! USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 CYS SG : rot 157:sc= 0.424 USER MOD Single : A 114 LYS NZ :NH3+ 152:sc= -0.297 (180deg=-1.43!) USER MOD Single : A 115 ASN : amide:sc= -0.0852 X(o=-0.085,f=-0.079) USER MOD Single : A 117 SER OG : rot -141:sc= -2.93! USER MOD Single : A 118 THR OG1 : rot 180:sc= -0.418 USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=-0.098) USER MOD Single : A 129 ASN : amide:sc= 0 X(o=0,f=-0.021) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 3 100.889 -15.840 12.449 1.00 0.00 N ATOM 2 CA GLY A 3 101.773 -15.708 13.640 1.00 0.00 C ATOM 3 C GLY A 3 103.087 -15.039 13.233 1.00 0.00 C ATOM 4 O GLY A 3 103.930 -15.642 12.597 1.00 0.00 O ATOM 0 HA2 GLY A 3 101.276 -15.118 14.410 1.00 0.00 H new ATOM 0 HA3 GLY A 3 101.971 -16.690 14.069 1.00 0.00 H new ATOM 8 N TRP A 4 103.263 -13.792 13.597 1.00 0.00 N ATOM 9 CA TRP A 4 104.519 -13.052 13.244 1.00 0.00 C ATOM 10 C TRP A 4 105.270 -12.697 14.531 1.00 0.00 C ATOM 11 O TRP A 4 104.681 -12.289 15.512 1.00 0.00 O ATOM 12 CB TRP A 4 104.151 -11.773 12.482 1.00 0.00 C ATOM 13 CG TRP A 4 105.368 -10.923 12.283 1.00 0.00 C ATOM 14 CD1 TRP A 4 106.322 -11.135 11.347 1.00 0.00 C ATOM 15 CD2 TRP A 4 105.766 -9.723 13.009 1.00 0.00 C ATOM 16 NE1 TRP A 4 107.285 -10.144 11.456 1.00 0.00 N ATOM 17 CE2 TRP A 4 106.985 -9.250 12.467 1.00 0.00 C ATOM 18 CE3 TRP A 4 105.193 -9.008 14.075 1.00 0.00 C ATOM 19 CZ2 TRP A 4 107.612 -8.108 12.966 1.00 0.00 C ATOM 20 CZ3 TRP A 4 105.822 -7.858 14.580 1.00 0.00 C ATOM 21 CH2 TRP A 4 107.029 -7.410 14.026 1.00 0.00 C ATOM 0 H TRP A 4 102.584 -13.248 14.129 1.00 0.00 H new ATOM 0 HA TRP A 4 105.157 -13.674 12.615 1.00 0.00 H new ATOM 0 HB2 TRP A 4 103.715 -12.029 11.516 1.00 0.00 H new ATOM 0 HB3 TRP A 4 103.395 -11.216 13.035 1.00 0.00 H new ATOM 0 HD1 TRP A 4 106.332 -11.944 10.632 1.00 0.00 H new ATOM 0 HE1 TRP A 4 108.113 -10.082 10.863 1.00 0.00 H new ATOM 0 HE3 TRP A 4 104.263 -9.345 14.509 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 108.542 -7.766 12.536 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 105.373 -7.316 15.399 1.00 0.00 H new ATOM 0 HH2 TRP A 4 107.508 -6.525 14.419 1.00 0.00 H new ATOM 32 N SER A 5 106.569 -12.850 14.531 1.00 0.00 N ATOM 33 CA SER A 5 107.377 -12.528 15.748 1.00 0.00 C ATOM 34 C SER A 5 108.657 -11.811 15.315 1.00 0.00 C ATOM 35 O SER A 5 109.092 -11.935 14.187 1.00 0.00 O ATOM 36 CB SER A 5 107.740 -13.824 16.475 1.00 0.00 C ATOM 37 OG SER A 5 108.668 -14.559 15.688 1.00 0.00 O ATOM 0 H SER A 5 107.110 -13.187 13.734 1.00 0.00 H new ATOM 0 HA SER A 5 106.802 -11.888 16.417 1.00 0.00 H new ATOM 0 HB2 SER A 5 108.171 -13.599 17.451 1.00 0.00 H new ATOM 0 HB3 SER A 5 106.844 -14.419 16.652 1.00 0.00 H new ATOM 0 HG SER A 5 108.904 -15.389 16.151 1.00 0.00 H new ATOM 43 N PHE A 6 109.261 -11.053 16.188 1.00 0.00 N ATOM 44 CA PHE A 6 110.502 -10.332 15.792 1.00 0.00 C ATOM 45 C PHE A 6 111.610 -11.335 15.443 1.00 0.00 C ATOM 46 O PHE A 6 112.340 -11.143 14.491 1.00 0.00 O ATOM 47 CB PHE A 6 110.950 -9.387 16.915 1.00 0.00 C ATOM 48 CG PHE A 6 110.912 -10.086 18.254 1.00 0.00 C ATOM 49 CD1 PHE A 6 109.704 -10.182 18.957 1.00 0.00 C ATOM 50 CD2 PHE A 6 112.084 -10.620 18.802 1.00 0.00 C ATOM 51 CE1 PHE A 6 109.669 -10.815 20.206 1.00 0.00 C ATOM 52 CE2 PHE A 6 112.049 -11.248 20.053 1.00 0.00 C ATOM 53 CZ PHE A 6 110.842 -11.348 20.753 1.00 0.00 C ATOM 0 H PHE A 6 108.953 -10.903 17.149 1.00 0.00 H new ATOM 0 HA PHE A 6 110.295 -9.732 14.906 1.00 0.00 H new ATOM 0 HB2 PHE A 6 111.960 -9.031 16.715 1.00 0.00 H new ATOM 0 HB3 PHE A 6 110.302 -8.511 16.939 1.00 0.00 H new ATOM 0 HD1 PHE A 6 108.800 -9.768 18.536 1.00 0.00 H new ATOM 0 HD2 PHE A 6 113.015 -10.548 18.260 1.00 0.00 H new ATOM 0 HE1 PHE A 6 108.737 -10.892 20.747 1.00 0.00 H new ATOM 0 HE2 PHE A 6 112.955 -11.655 20.478 1.00 0.00 H new ATOM 0 HZ PHE A 6 110.815 -11.837 21.716 1.00 0.00 H new ATOM 63 N GLU A 7 111.741 -12.410 16.177 1.00 0.00 N ATOM 64 CA GLU A 7 112.801 -13.406 15.832 1.00 0.00 C ATOM 65 C GLU A 7 112.496 -14.001 14.460 1.00 0.00 C ATOM 66 O GLU A 7 113.381 -14.385 13.723 1.00 0.00 O ATOM 67 CB GLU A 7 112.841 -14.540 16.856 1.00 0.00 C ATOM 68 CG GLU A 7 113.378 -14.019 18.187 1.00 0.00 C ATOM 69 CD GLU A 7 113.264 -15.117 19.247 1.00 0.00 C ATOM 70 OE1 GLU A 7 112.736 -16.169 18.926 1.00 0.00 O ATOM 71 OE2 GLU A 7 113.708 -14.888 20.360 1.00 0.00 O ATOM 0 H GLU A 7 111.169 -12.640 16.990 1.00 0.00 H new ATOM 0 HA GLU A 7 113.765 -12.898 15.830 1.00 0.00 H new ATOM 0 HB2 GLU A 7 111.842 -14.953 16.994 1.00 0.00 H new ATOM 0 HB3 GLU A 7 113.473 -15.350 16.491 1.00 0.00 H new ATOM 0 HG2 GLU A 7 114.418 -13.712 18.077 1.00 0.00 H new ATOM 0 HG3 GLU A 7 112.816 -13.138 18.498 1.00 0.00 H new ATOM 78 N GLU A 8 111.245 -14.096 14.110 1.00 0.00 N ATOM 79 CA GLU A 8 110.898 -14.680 12.789 1.00 0.00 C ATOM 80 C GLU A 8 111.530 -13.823 11.693 1.00 0.00 C ATOM 81 O GLU A 8 112.039 -14.329 10.720 1.00 0.00 O ATOM 82 CB GLU A 8 109.375 -14.712 12.618 1.00 0.00 C ATOM 83 CG GLU A 8 109.022 -15.352 11.273 1.00 0.00 C ATOM 84 CD GLU A 8 107.503 -15.397 11.113 1.00 0.00 C ATOM 85 OE1 GLU A 8 106.820 -15.217 12.106 1.00 0.00 O ATOM 86 OE2 GLU A 8 107.049 -15.624 10.004 1.00 0.00 O ATOM 0 H GLU A 8 110.453 -13.796 14.678 1.00 0.00 H new ATOM 0 HA GLU A 8 111.277 -15.700 12.723 1.00 0.00 H new ATOM 0 HB2 GLU A 8 108.920 -15.277 13.431 1.00 0.00 H new ATOM 0 HB3 GLU A 8 108.972 -13.700 12.668 1.00 0.00 H new ATOM 0 HG2 GLU A 8 109.467 -14.781 10.458 1.00 0.00 H new ATOM 0 HG3 GLU A 8 109.434 -16.360 11.218 1.00 0.00 H new ATOM 93 N GLN A 9 111.514 -12.529 11.845 1.00 0.00 N ATOM 94 CA GLN A 9 112.132 -11.661 10.806 1.00 0.00 C ATOM 95 C GLN A 9 113.652 -11.847 10.843 1.00 0.00 C ATOM 96 O GLN A 9 114.331 -11.724 9.843 1.00 0.00 O ATOM 97 CB GLN A 9 111.789 -10.192 11.088 1.00 0.00 C ATOM 98 CG GLN A 9 110.277 -9.969 10.956 1.00 0.00 C ATOM 99 CD GLN A 9 109.822 -10.282 9.529 1.00 0.00 C ATOM 100 OE1 GLN A 9 110.170 -9.584 8.598 1.00 0.00 O ATOM 101 NE2 GLN A 9 109.054 -11.317 9.316 1.00 0.00 N ATOM 0 H GLN A 9 111.103 -12.037 12.638 1.00 0.00 H new ATOM 0 HA GLN A 9 111.748 -11.935 9.823 1.00 0.00 H new ATOM 0 HB2 GLN A 9 112.118 -9.920 12.091 1.00 0.00 H new ATOM 0 HB3 GLN A 9 112.322 -9.546 10.391 1.00 0.00 H new ATOM 0 HG2 GLN A 9 109.745 -10.605 11.663 1.00 0.00 H new ATOM 0 HG3 GLN A 9 110.030 -8.937 11.207 1.00 0.00 H new ATOM 0 HE21 GLN A 9 108.761 -11.904 10.097 1.00 0.00 H new ATOM 0 HE22 GLN A 9 108.747 -11.538 8.369 1.00 0.00 H new ATOM 110 N PHE A 10 114.189 -12.134 12.000 1.00 0.00 N ATOM 111 CA PHE A 10 115.664 -12.321 12.127 1.00 0.00 C ATOM 112 C PHE A 10 116.141 -13.547 11.323 1.00 0.00 C ATOM 113 O PHE A 10 117.059 -13.452 10.528 1.00 0.00 O ATOM 114 CB PHE A 10 116.000 -12.487 13.618 1.00 0.00 C ATOM 115 CG PHE A 10 117.431 -12.925 13.793 1.00 0.00 C ATOM 116 CD1 PHE A 10 118.456 -11.976 13.894 1.00 0.00 C ATOM 117 CD2 PHE A 10 117.728 -14.290 13.860 1.00 0.00 C ATOM 118 CE1 PHE A 10 119.782 -12.397 14.057 1.00 0.00 C ATOM 119 CE2 PHE A 10 119.051 -14.712 14.025 1.00 0.00 C ATOM 120 CZ PHE A 10 120.079 -13.765 14.122 1.00 0.00 C ATOM 0 H PHE A 10 113.665 -12.248 12.868 1.00 0.00 H new ATOM 0 HA PHE A 10 116.179 -11.451 11.721 1.00 0.00 H new ATOM 0 HB2 PHE A 10 115.836 -11.545 14.141 1.00 0.00 H new ATOM 0 HB3 PHE A 10 115.332 -13.221 14.068 1.00 0.00 H new ATOM 0 HD1 PHE A 10 118.225 -10.922 13.846 1.00 0.00 H new ATOM 0 HD2 PHE A 10 116.935 -15.019 13.784 1.00 0.00 H new ATOM 0 HE1 PHE A 10 120.575 -11.668 14.133 1.00 0.00 H new ATOM 0 HE2 PHE A 10 119.280 -15.766 14.078 1.00 0.00 H new ATOM 0 HZ PHE A 10 121.101 -14.090 14.247 1.00 0.00 H new ATOM 130 N LYS A 11 115.546 -14.697 11.510 1.00 0.00 N ATOM 131 CA LYS A 11 116.011 -15.889 10.736 1.00 0.00 C ATOM 132 C LYS A 11 115.828 -15.636 9.238 1.00 0.00 C ATOM 133 O LYS A 11 116.595 -16.107 8.419 1.00 0.00 O ATOM 134 CB LYS A 11 115.253 -17.155 11.173 1.00 0.00 C ATOM 135 CG LYS A 11 113.819 -17.164 10.632 1.00 0.00 C ATOM 136 CD LYS A 11 113.092 -18.400 11.170 1.00 0.00 C ATOM 137 CE LYS A 11 111.753 -18.566 10.451 1.00 0.00 C ATOM 138 NZ LYS A 11 110.957 -19.631 11.124 1.00 0.00 N ATOM 0 H LYS A 11 114.772 -14.862 12.153 1.00 0.00 H new ATOM 0 HA LYS A 11 117.070 -16.049 10.939 1.00 0.00 H new ATOM 0 HB2 LYS A 11 115.783 -18.039 10.818 1.00 0.00 H new ATOM 0 HB3 LYS A 11 115.233 -17.211 12.261 1.00 0.00 H new ATOM 0 HG2 LYS A 11 113.296 -16.257 10.936 1.00 0.00 H new ATOM 0 HG3 LYS A 11 113.828 -17.177 9.542 1.00 0.00 H new ATOM 0 HD2 LYS A 11 113.707 -19.288 11.023 1.00 0.00 H new ATOM 0 HD3 LYS A 11 112.929 -18.299 12.243 1.00 0.00 H new ATOM 0 HE2 LYS A 11 111.203 -17.625 10.461 1.00 0.00 H new ATOM 0 HE3 LYS A 11 111.919 -18.827 9.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 110.046 -19.745 10.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 111.481 -20.529 11.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 110.788 -19.364 12.115 1.00 0.00 H new ATOM 152 N GLN A 12 114.830 -14.890 8.867 1.00 0.00 N ATOM 153 CA GLN A 12 114.624 -14.611 7.420 1.00 0.00 C ATOM 154 C GLN A 12 115.865 -13.901 6.880 1.00 0.00 C ATOM 155 O GLN A 12 116.330 -14.181 5.798 1.00 0.00 O ATOM 156 CB GLN A 12 113.389 -13.730 7.230 1.00 0.00 C ATOM 157 CG GLN A 12 112.134 -14.544 7.551 1.00 0.00 C ATOM 158 CD GLN A 12 110.915 -13.620 7.565 1.00 0.00 C ATOM 159 OE1 GLN A 12 109.962 -13.862 8.279 1.00 0.00 O ATOM 160 NE2 GLN A 12 110.904 -12.563 6.800 1.00 0.00 N ATOM 0 H GLN A 12 114.151 -14.463 9.497 1.00 0.00 H new ATOM 0 HA GLN A 12 114.468 -15.544 6.879 1.00 0.00 H new ATOM 0 HB2 GLN A 12 113.447 -12.857 7.881 1.00 0.00 H new ATOM 0 HB3 GLN A 12 113.345 -13.361 6.205 1.00 0.00 H new ATOM 0 HG2 GLN A 12 111.998 -15.331 6.809 1.00 0.00 H new ATOM 0 HG3 GLN A 12 112.243 -15.034 8.519 1.00 0.00 H new ATOM 0 HE21 GLN A 12 111.704 -12.359 6.200 1.00 0.00 H new ATOM 0 HE22 GLN A 12 110.096 -11.941 6.802 1.00 0.00 H new ATOM 169 N VAL A 13 116.428 -13.001 7.634 1.00 0.00 N ATOM 170 CA VAL A 13 117.651 -12.304 7.153 1.00 0.00 C ATOM 171 C VAL A 13 118.695 -13.361 6.813 1.00 0.00 C ATOM 172 O VAL A 13 119.390 -13.266 5.819 1.00 0.00 O ATOM 173 CB VAL A 13 118.168 -11.362 8.249 1.00 0.00 C ATOM 174 CG1 VAL A 13 119.578 -10.858 7.917 1.00 0.00 C ATOM 175 CG2 VAL A 13 117.216 -10.169 8.365 1.00 0.00 C ATOM 0 H VAL A 13 116.097 -12.719 8.557 1.00 0.00 H new ATOM 0 HA VAL A 13 117.434 -11.707 6.267 1.00 0.00 H new ATOM 0 HB VAL A 13 118.212 -11.907 9.192 1.00 0.00 H new ATOM 0 HG11 VAL A 13 119.922 -10.192 8.709 1.00 0.00 H new ATOM 0 HG12 VAL A 13 120.258 -11.706 7.835 1.00 0.00 H new ATOM 0 HG13 VAL A 13 119.558 -10.317 6.971 1.00 0.00 H new ATOM 0 HG21 VAL A 13 117.573 -9.492 9.141 1.00 0.00 H new ATOM 0 HG22 VAL A 13 117.177 -9.640 7.413 1.00 0.00 H new ATOM 0 HG23 VAL A 13 116.218 -10.523 8.624 1.00 0.00 H new ATOM 185 N ARG A 14 118.805 -14.388 7.605 1.00 0.00 N ATOM 186 CA ARG A 14 119.797 -15.445 7.274 1.00 0.00 C ATOM 187 C ARG A 14 119.534 -15.922 5.845 1.00 0.00 C ATOM 188 O ARG A 14 120.451 -16.233 5.111 1.00 0.00 O ATOM 189 CB ARG A 14 119.660 -16.611 8.258 1.00 0.00 C ATOM 190 CG ARG A 14 120.760 -17.643 7.993 1.00 0.00 C ATOM 191 CD ARG A 14 120.616 -18.804 8.979 1.00 0.00 C ATOM 192 NE ARG A 14 120.941 -18.326 10.354 1.00 0.00 N ATOM 193 CZ ARG A 14 120.806 -19.129 11.375 1.00 0.00 C ATOM 194 NH1 ARG A 14 119.631 -19.607 11.681 1.00 0.00 N ATOM 195 NH2 ARG A 14 121.848 -19.451 12.092 1.00 0.00 N ATOM 0 H ARG A 14 118.261 -14.541 8.454 1.00 0.00 H new ATOM 0 HA ARG A 14 120.810 -15.050 7.350 1.00 0.00 H new ATOM 0 HB2 ARG A 14 119.731 -16.245 9.282 1.00 0.00 H new ATOM 0 HB3 ARG A 14 118.679 -17.075 8.152 1.00 0.00 H new ATOM 0 HG2 ARG A 14 120.690 -18.010 6.969 1.00 0.00 H new ATOM 0 HG3 ARG A 14 121.741 -17.180 8.100 1.00 0.00 H new ATOM 0 HD2 ARG A 14 119.600 -19.198 8.949 1.00 0.00 H new ATOM 0 HD3 ARG A 14 121.282 -19.620 8.698 1.00 0.00 H new ATOM 0 HE ARG A 14 121.269 -17.371 10.497 1.00 0.00 H new ATOM 0 HH11 ARG A 14 118.816 -19.354 11.122 1.00 0.00 H new ATOM 0 HH12 ARG A 14 119.527 -20.234 12.479 1.00 0.00 H new ATOM 0 HH21 ARG A 14 122.766 -19.076 11.855 1.00 0.00 H new ATOM 0 HH22 ARG A 14 121.744 -20.078 12.890 1.00 0.00 H new ATOM 209 N GLN A 15 118.290 -15.983 5.435 1.00 0.00 N ATOM 210 CA GLN A 15 118.005 -16.441 4.048 1.00 0.00 C ATOM 211 C GLN A 15 118.687 -15.482 3.052 1.00 0.00 C ATOM 212 O GLN A 15 119.097 -15.880 1.980 1.00 0.00 O ATOM 213 CB GLN A 15 116.474 -16.519 3.809 1.00 0.00 C ATOM 214 CG GLN A 15 115.914 -15.228 3.178 1.00 0.00 C ATOM 215 CD GLN A 15 116.082 -15.294 1.657 1.00 0.00 C ATOM 216 OE1 GLN A 15 115.549 -16.175 1.010 1.00 0.00 O ATOM 217 NE2 GLN A 15 116.803 -14.391 1.059 1.00 0.00 N ATOM 0 H GLN A 15 117.473 -15.738 5.995 1.00 0.00 H new ATOM 0 HA GLN A 15 118.407 -17.443 3.898 1.00 0.00 H new ATOM 0 HB2 GLN A 15 116.253 -17.365 3.158 1.00 0.00 H new ATOM 0 HB3 GLN A 15 115.970 -16.706 4.757 1.00 0.00 H new ATOM 0 HG2 GLN A 15 114.861 -15.111 3.434 1.00 0.00 H new ATOM 0 HG3 GLN A 15 116.437 -14.358 3.576 1.00 0.00 H new ATOM 0 HE21 GLN A 15 117.250 -13.653 1.603 1.00 0.00 H new ATOM 0 HE22 GLN A 15 116.922 -14.422 0.046 1.00 0.00 H new ATOM 226 N LEU A 16 118.803 -14.214 3.396 1.00 0.00 N ATOM 227 CA LEU A 16 119.451 -13.251 2.448 1.00 0.00 C ATOM 228 C LEU A 16 120.883 -13.716 2.183 1.00 0.00 C ATOM 229 O LEU A 16 121.320 -13.790 1.052 1.00 0.00 O ATOM 230 CB LEU A 16 119.479 -11.841 3.056 1.00 0.00 C ATOM 231 CG LEU A 16 118.049 -11.290 3.190 1.00 0.00 C ATOM 232 CD1 LEU A 16 118.091 -9.972 3.970 1.00 0.00 C ATOM 233 CD2 LEU A 16 117.435 -11.034 1.800 1.00 0.00 C ATOM 0 H LEU A 16 118.482 -13.813 4.277 1.00 0.00 H new ATOM 0 HA LEU A 16 118.883 -13.220 1.518 1.00 0.00 H new ATOM 0 HB2 LEU A 16 119.959 -11.869 4.034 1.00 0.00 H new ATOM 0 HB3 LEU A 16 120.074 -11.178 2.428 1.00 0.00 H new ATOM 0 HG LEU A 16 117.437 -12.022 3.716 1.00 0.00 H new ATOM 0 HD11 LEU A 16 117.081 -9.575 4.069 1.00 0.00 H new ATOM 0 HD12 LEU A 16 118.510 -10.149 4.961 1.00 0.00 H new ATOM 0 HD13 LEU A 16 118.712 -9.253 3.436 1.00 0.00 H new ATOM 0 HD21 LEU A 16 116.423 -10.645 1.915 1.00 0.00 H new ATOM 0 HD22 LEU A 16 118.044 -10.308 1.261 1.00 0.00 H new ATOM 0 HD23 LEU A 16 117.402 -11.968 1.239 1.00 0.00 H new ATOM 245 N TYR A 17 121.610 -14.056 3.211 1.00 0.00 N ATOM 246 CA TYR A 17 123.004 -14.548 3.001 1.00 0.00 C ATOM 247 C TYR A 17 122.963 -15.835 2.166 1.00 0.00 C ATOM 248 O TYR A 17 123.803 -16.067 1.319 1.00 0.00 O ATOM 249 CB TYR A 17 123.669 -14.845 4.355 1.00 0.00 C ATOM 250 CG TYR A 17 124.164 -13.567 4.994 1.00 0.00 C ATOM 251 CD1 TYR A 17 125.398 -13.031 4.604 1.00 0.00 C ATOM 252 CD2 TYR A 17 123.404 -12.928 5.981 1.00 0.00 C ATOM 253 CE1 TYR A 17 125.871 -11.856 5.199 1.00 0.00 C ATOM 254 CE2 TYR A 17 123.880 -11.753 6.579 1.00 0.00 C ATOM 255 CZ TYR A 17 125.113 -11.217 6.186 1.00 0.00 C ATOM 256 OH TYR A 17 125.584 -10.060 6.774 1.00 0.00 O ATOM 0 H TYR A 17 121.303 -14.016 4.183 1.00 0.00 H new ATOM 0 HA TYR A 17 123.579 -13.782 2.481 1.00 0.00 H new ATOM 0 HB2 TYR A 17 122.956 -15.337 5.017 1.00 0.00 H new ATOM 0 HB3 TYR A 17 124.502 -15.534 4.214 1.00 0.00 H new ATOM 0 HD1 TYR A 17 125.985 -13.525 3.844 1.00 0.00 H new ATOM 0 HD2 TYR A 17 122.452 -13.340 6.281 1.00 0.00 H new ATOM 0 HE1 TYR A 17 126.822 -11.442 4.896 1.00 0.00 H new ATOM 0 HE2 TYR A 17 123.296 -11.261 7.343 1.00 0.00 H new ATOM 0 HH TYR A 17 124.937 -9.744 7.438 1.00 0.00 H new ATOM 266 N GLU A 18 122.011 -16.690 2.433 1.00 0.00 N ATOM 267 CA GLU A 18 121.929 -17.991 1.694 1.00 0.00 C ATOM 268 C GLU A 18 121.433 -17.808 0.248 1.00 0.00 C ATOM 269 O GLU A 18 121.266 -18.774 -0.471 1.00 0.00 O ATOM 270 CB GLU A 18 120.972 -18.928 2.430 1.00 0.00 C ATOM 271 CG GLU A 18 121.561 -19.296 3.792 1.00 0.00 C ATOM 272 CD GLU A 18 120.601 -20.234 4.526 1.00 0.00 C ATOM 273 OE1 GLU A 18 119.707 -19.734 5.190 1.00 0.00 O ATOM 274 OE2 GLU A 18 120.774 -21.436 4.412 1.00 0.00 O ATOM 0 H GLU A 18 121.283 -16.546 3.133 1.00 0.00 H new ATOM 0 HA GLU A 18 122.934 -18.411 1.654 1.00 0.00 H new ATOM 0 HB2 GLU A 18 120.003 -18.446 2.560 1.00 0.00 H new ATOM 0 HB3 GLU A 18 120.803 -19.829 1.840 1.00 0.00 H new ATOM 0 HG2 GLU A 18 122.530 -19.778 3.663 1.00 0.00 H new ATOM 0 HG3 GLU A 18 121.729 -18.396 4.383 1.00 0.00 H new ATOM 281 N ILE A 19 121.195 -16.605 -0.198 1.00 0.00 N ATOM 282 CA ILE A 19 120.714 -16.429 -1.606 1.00 0.00 C ATOM 283 C ILE A 19 121.698 -17.087 -2.577 1.00 0.00 C ATOM 284 O ILE A 19 121.302 -17.703 -3.547 1.00 0.00 O ATOM 285 CB ILE A 19 120.572 -14.935 -1.929 1.00 0.00 C ATOM 286 CG1 ILE A 19 119.376 -14.371 -1.158 1.00 0.00 C ATOM 287 CG2 ILE A 19 120.342 -14.735 -3.431 1.00 0.00 C ATOM 288 CD1 ILE A 19 119.390 -12.836 -1.203 1.00 0.00 C ATOM 0 H ILE A 19 121.309 -15.745 0.339 1.00 0.00 H new ATOM 0 HA ILE A 19 119.739 -16.905 -1.712 1.00 0.00 H new ATOM 0 HB ILE A 19 121.487 -14.418 -1.639 1.00 0.00 H new ATOM 0 HG12 ILE A 19 118.447 -14.746 -1.588 1.00 0.00 H new ATOM 0 HG13 ILE A 19 119.408 -14.712 -0.123 1.00 0.00 H new ATOM 0 HG21 ILE A 19 120.243 -13.671 -3.645 1.00 0.00 H new ATOM 0 HG22 ILE A 19 121.188 -15.140 -3.986 1.00 0.00 H new ATOM 0 HG23 ILE A 19 119.431 -15.252 -3.732 1.00 0.00 H new ATOM 0 HD11 ILE A 19 118.534 -12.448 -0.651 1.00 0.00 H new ATOM 0 HD12 ILE A 19 120.311 -12.467 -0.751 1.00 0.00 H new ATOM 0 HD13 ILE A 19 119.335 -12.502 -2.239 1.00 0.00 H new ATOM 300 N ASN A 20 122.973 -16.962 -2.338 1.00 0.00 N ATOM 301 CA ASN A 20 123.961 -17.581 -3.261 1.00 0.00 C ATOM 302 C ASN A 20 125.352 -17.519 -2.628 1.00 0.00 C ATOM 303 O ASN A 20 125.522 -17.029 -1.530 1.00 0.00 O ATOM 304 CB ASN A 20 123.958 -16.818 -4.587 1.00 0.00 C ATOM 305 CG ASN A 20 124.259 -15.340 -4.329 1.00 0.00 C ATOM 306 OD1 ASN A 20 125.205 -15.012 -3.640 1.00 0.00 O ATOM 307 ND2 ASN A 20 123.484 -14.429 -4.850 1.00 0.00 N ATOM 0 H ASN A 20 123.372 -16.459 -1.545 1.00 0.00 H new ATOM 0 HA ASN A 20 123.696 -18.622 -3.444 1.00 0.00 H new ATOM 0 HB2 ASN A 20 124.703 -17.239 -5.262 1.00 0.00 H new ATOM 0 HB3 ASN A 20 122.990 -16.922 -5.076 1.00 0.00 H new ATOM 0 HD21 ASN A 20 123.672 -13.441 -4.679 1.00 0.00 H new ATOM 0 HD22 ASN A 20 122.690 -14.705 -5.428 1.00 0.00 H new ATOM 314 N ASP A 21 126.347 -18.022 -3.304 1.00 0.00 N ATOM 315 CA ASP A 21 127.727 -18.003 -2.735 1.00 0.00 C ATOM 316 C ASP A 21 128.438 -16.717 -3.158 1.00 0.00 C ATOM 317 O ASP A 21 129.609 -16.538 -2.899 1.00 0.00 O ATOM 318 CB ASP A 21 128.508 -19.215 -3.258 1.00 0.00 C ATOM 319 CG ASP A 21 128.799 -19.040 -4.752 1.00 0.00 C ATOM 320 OD1 ASP A 21 128.210 -18.154 -5.350 1.00 0.00 O ATOM 321 OD2 ASP A 21 129.607 -19.792 -5.270 1.00 0.00 O ATOM 0 H ASP A 21 126.266 -18.447 -4.228 1.00 0.00 H new ATOM 0 HA ASP A 21 127.673 -18.044 -1.647 1.00 0.00 H new ATOM 0 HB2 ASP A 21 129.442 -19.323 -2.706 1.00 0.00 H new ATOM 0 HB3 ASP A 21 127.934 -20.127 -3.094 1.00 0.00 H new ATOM 326 N ASP A 22 127.741 -15.827 -3.809 1.00 0.00 N ATOM 327 CA ASP A 22 128.384 -14.559 -4.258 1.00 0.00 C ATOM 328 C ASP A 22 129.126 -13.907 -3.069 1.00 0.00 C ATOM 329 O ASP A 22 128.489 -13.433 -2.149 1.00 0.00 O ATOM 330 CB ASP A 22 127.293 -13.604 -4.753 1.00 0.00 C ATOM 331 CG ASP A 22 127.927 -12.480 -5.575 1.00 0.00 C ATOM 332 OD1 ASP A 22 128.689 -12.790 -6.476 1.00 0.00 O ATOM 333 OD2 ASP A 22 127.639 -11.329 -5.291 1.00 0.00 O ATOM 0 H ASP A 22 126.754 -15.922 -4.050 1.00 0.00 H new ATOM 0 HA ASP A 22 129.094 -14.767 -5.058 1.00 0.00 H new ATOM 0 HB2 ASP A 22 126.568 -14.147 -5.360 1.00 0.00 H new ATOM 0 HB3 ASP A 22 126.750 -13.186 -3.905 1.00 0.00 H new ATOM 338 N PRO A 23 130.454 -13.871 -3.053 1.00 0.00 N ATOM 339 CA PRO A 23 131.172 -13.246 -1.903 1.00 0.00 C ATOM 340 C PRO A 23 130.869 -11.744 -1.778 1.00 0.00 C ATOM 341 O PRO A 23 130.842 -11.197 -0.694 1.00 0.00 O ATOM 342 CB PRO A 23 132.659 -13.493 -2.242 1.00 0.00 C ATOM 343 CG PRO A 23 132.742 -14.253 -3.580 1.00 0.00 C ATOM 344 CD PRO A 23 131.318 -14.428 -4.139 1.00 0.00 C ATOM 0 HA PRO A 23 130.872 -13.667 -0.943 1.00 0.00 H new ATOM 0 HB2 PRO A 23 133.193 -12.545 -2.312 1.00 0.00 H new ATOM 0 HB3 PRO A 23 133.136 -14.070 -1.450 1.00 0.00 H new ATOM 0 HG2 PRO A 23 133.361 -13.703 -4.289 1.00 0.00 H new ATOM 0 HG3 PRO A 23 133.212 -15.225 -3.433 1.00 0.00 H new ATOM 0 HD2 PRO A 23 131.184 -13.888 -5.077 1.00 0.00 H new ATOM 0 HD3 PRO A 23 131.089 -15.475 -4.338 1.00 0.00 H new ATOM 352 N LYS A 24 130.653 -11.076 -2.878 1.00 0.00 N ATOM 353 CA LYS A 24 130.368 -9.616 -2.811 1.00 0.00 C ATOM 354 C LYS A 24 129.107 -9.376 -1.979 1.00 0.00 C ATOM 355 O LYS A 24 129.050 -8.472 -1.170 1.00 0.00 O ATOM 356 CB LYS A 24 130.160 -9.070 -4.226 1.00 0.00 C ATOM 357 CG LYS A 24 130.047 -7.544 -4.169 1.00 0.00 C ATOM 358 CD LYS A 24 129.854 -6.989 -5.582 1.00 0.00 C ATOM 359 CE LYS A 24 129.748 -5.464 -5.517 1.00 0.00 C ATOM 360 NZ LYS A 24 129.337 -4.935 -6.848 1.00 0.00 N ATOM 0 H LYS A 24 130.662 -11.476 -3.816 1.00 0.00 H new ATOM 0 HA LYS A 24 131.210 -9.105 -2.345 1.00 0.00 H new ATOM 0 HB2 LYS A 24 130.993 -9.361 -4.866 1.00 0.00 H new ATOM 0 HB3 LYS A 24 129.258 -9.497 -4.664 1.00 0.00 H new ATOM 0 HG2 LYS A 24 129.208 -7.255 -3.536 1.00 0.00 H new ATOM 0 HG3 LYS A 24 130.945 -7.119 -3.720 1.00 0.00 H new ATOM 0 HD2 LYS A 24 130.691 -7.280 -6.217 1.00 0.00 H new ATOM 0 HD3 LYS A 24 128.953 -7.409 -6.030 1.00 0.00 H new ATOM 0 HE2 LYS A 24 129.022 -5.172 -4.758 1.00 0.00 H new ATOM 0 HE3 LYS A 24 130.706 -5.035 -5.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 129.265 -3.898 -6.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 130.045 -5.202 -7.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 128.413 -5.335 -7.110 1.00 0.00 H new ATOM 374 N ARG A 25 128.096 -10.178 -2.170 1.00 0.00 N ATOM 375 CA ARG A 25 126.842 -9.992 -1.387 1.00 0.00 C ATOM 376 C ARG A 25 127.138 -10.159 0.106 1.00 0.00 C ATOM 377 O ARG A 25 126.617 -9.437 0.932 1.00 0.00 O ATOM 378 CB ARG A 25 125.809 -11.035 -1.822 1.00 0.00 C ATOM 379 CG ARG A 25 124.463 -10.757 -1.139 1.00 0.00 C ATOM 380 CD ARG A 25 123.501 -11.928 -1.377 1.00 0.00 C ATOM 381 NE ARG A 25 123.759 -12.991 -0.360 1.00 0.00 N ATOM 382 CZ ARG A 25 124.634 -13.932 -0.592 1.00 0.00 C ATOM 383 NH1 ARG A 25 124.321 -14.937 -1.361 1.00 0.00 N ATOM 384 NH2 ARG A 25 125.821 -13.872 -0.052 1.00 0.00 N ATOM 0 H ARG A 25 128.084 -10.953 -2.833 1.00 0.00 H new ATOM 0 HA ARG A 25 126.448 -8.992 -1.568 1.00 0.00 H new ATOM 0 HB2 ARG A 25 125.689 -11.010 -2.905 1.00 0.00 H new ATOM 0 HB3 ARG A 25 126.158 -12.035 -1.563 1.00 0.00 H new ATOM 0 HG2 ARG A 25 124.612 -10.610 -0.069 1.00 0.00 H new ATOM 0 HG3 ARG A 25 124.031 -9.836 -1.530 1.00 0.00 H new ATOM 0 HD2 ARG A 25 122.468 -11.586 -1.308 1.00 0.00 H new ATOM 0 HD3 ARG A 25 123.638 -12.328 -2.382 1.00 0.00 H new ATOM 0 HE ARG A 25 123.248 -12.982 0.523 1.00 0.00 H new ATOM 0 HH11 ARG A 25 123.393 -14.988 -1.781 1.00 0.00 H new ATOM 0 HH12 ARG A 25 125.004 -15.672 -1.543 1.00 0.00 H new ATOM 0 HH21 ARG A 25 126.067 -13.089 0.553 1.00 0.00 H new ATOM 0 HH22 ARG A 25 126.502 -14.609 -0.235 1.00 0.00 H new ATOM 398 N LYS A 26 127.965 -11.105 0.465 1.00 0.00 N ATOM 399 CA LYS A 26 128.268 -11.299 1.910 1.00 0.00 C ATOM 400 C LYS A 26 128.886 -10.019 2.467 1.00 0.00 C ATOM 401 O LYS A 26 128.541 -9.568 3.542 1.00 0.00 O ATOM 402 CB LYS A 26 129.252 -12.464 2.089 1.00 0.00 C ATOM 403 CG LYS A 26 129.500 -12.698 3.584 1.00 0.00 C ATOM 404 CD LYS A 26 130.482 -13.857 3.776 1.00 0.00 C ATOM 405 CE LYS A 26 130.758 -14.048 5.270 1.00 0.00 C ATOM 406 NZ LYS A 26 131.380 -15.384 5.498 1.00 0.00 N ATOM 0 H LYS A 26 128.438 -11.745 -0.173 1.00 0.00 H new ATOM 0 HA LYS A 26 127.347 -11.529 2.445 1.00 0.00 H new ATOM 0 HB2 LYS A 26 128.850 -13.367 1.630 1.00 0.00 H new ATOM 0 HB3 LYS A 26 130.192 -12.241 1.584 1.00 0.00 H new ATOM 0 HG2 LYS A 26 129.899 -11.793 4.041 1.00 0.00 H new ATOM 0 HG3 LYS A 26 128.559 -12.921 4.087 1.00 0.00 H new ATOM 0 HD2 LYS A 26 130.069 -14.772 3.351 1.00 0.00 H new ATOM 0 HD3 LYS A 26 131.412 -13.651 3.246 1.00 0.00 H new ATOM 0 HE2 LYS A 26 131.420 -13.261 5.631 1.00 0.00 H new ATOM 0 HE3 LYS A 26 129.829 -13.967 5.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 131.566 -15.511 6.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 130.733 -16.129 5.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 132.275 -15.445 4.971 1.00 0.00 H new ATOM 420 N GLU A 27 129.800 -9.432 1.748 1.00 0.00 N ATOM 421 CA GLU A 27 130.440 -8.183 2.241 1.00 0.00 C ATOM 422 C GLU A 27 129.392 -7.072 2.357 1.00 0.00 C ATOM 423 O GLU A 27 129.394 -6.304 3.299 1.00 0.00 O ATOM 424 CB GLU A 27 131.531 -7.755 1.257 1.00 0.00 C ATOM 425 CG GLU A 27 132.700 -8.738 1.331 1.00 0.00 C ATOM 426 CD GLU A 27 133.426 -8.574 2.667 1.00 0.00 C ATOM 427 OE1 GLU A 27 133.466 -7.460 3.163 1.00 0.00 O ATOM 428 OE2 GLU A 27 133.928 -9.564 3.172 1.00 0.00 O ATOM 0 H GLU A 27 130.131 -9.763 0.842 1.00 0.00 H new ATOM 0 HA GLU A 27 130.878 -8.364 3.222 1.00 0.00 H new ATOM 0 HB2 GLU A 27 131.130 -7.726 0.244 1.00 0.00 H new ATOM 0 HB3 GLU A 27 131.874 -6.748 1.493 1.00 0.00 H new ATOM 0 HG2 GLU A 27 132.336 -9.760 1.227 1.00 0.00 H new ATOM 0 HG3 GLU A 27 133.390 -8.560 0.506 1.00 0.00 H new ATOM 435 N PHE A 28 128.500 -6.973 1.406 1.00 0.00 N ATOM 436 CA PHE A 28 127.464 -5.906 1.471 1.00 0.00 C ATOM 437 C PHE A 28 126.534 -6.123 2.673 1.00 0.00 C ATOM 438 O PHE A 28 126.297 -5.223 3.454 1.00 0.00 O ATOM 439 CB PHE A 28 126.642 -5.921 0.178 1.00 0.00 C ATOM 440 CG PHE A 28 125.446 -5.014 0.339 1.00 0.00 C ATOM 441 CD1 PHE A 28 124.260 -5.533 0.864 1.00 0.00 C ATOM 442 CD2 PHE A 28 125.527 -3.662 -0.006 1.00 0.00 C ATOM 443 CE1 PHE A 28 123.152 -4.705 1.043 1.00 0.00 C ATOM 444 CE2 PHE A 28 124.418 -2.827 0.178 1.00 0.00 C ATOM 445 CZ PHE A 28 123.229 -3.352 0.703 1.00 0.00 C ATOM 0 H PHE A 28 128.446 -7.584 0.591 1.00 0.00 H new ATOM 0 HA PHE A 28 127.960 -4.942 1.587 1.00 0.00 H new ATOM 0 HB2 PHE A 28 127.255 -5.589 -0.660 1.00 0.00 H new ATOM 0 HB3 PHE A 28 126.316 -6.936 -0.048 1.00 0.00 H new ATOM 0 HD1 PHE A 28 124.201 -6.578 1.132 1.00 0.00 H new ATOM 0 HD2 PHE A 28 126.443 -3.262 -0.414 1.00 0.00 H new ATOM 0 HE1 PHE A 28 122.235 -5.110 1.444 1.00 0.00 H new ATOM 0 HE2 PHE A 28 124.479 -1.781 -0.084 1.00 0.00 H new ATOM 0 HZ PHE A 28 122.372 -2.710 0.845 1.00 0.00 H new ATOM 455 N LEU A 29 125.984 -7.299 2.812 1.00 0.00 N ATOM 456 CA LEU A 29 125.049 -7.549 3.947 1.00 0.00 C ATOM 457 C LEU A 29 125.773 -7.322 5.274 1.00 0.00 C ATOM 458 O LEU A 29 125.270 -6.665 6.162 1.00 0.00 O ATOM 459 CB LEU A 29 124.552 -8.998 3.891 1.00 0.00 C ATOM 460 CG LEU A 29 123.732 -9.243 2.613 1.00 0.00 C ATOM 461 CD1 LEU A 29 123.579 -10.751 2.398 1.00 0.00 C ATOM 462 CD2 LEU A 29 122.331 -8.624 2.740 1.00 0.00 C ATOM 0 H LEU A 29 126.140 -8.094 2.192 1.00 0.00 H new ATOM 0 HA LEU A 29 124.204 -6.864 3.870 1.00 0.00 H new ATOM 0 HB2 LEU A 29 125.401 -9.680 3.920 1.00 0.00 H new ATOM 0 HB3 LEU A 29 123.941 -9.212 4.768 1.00 0.00 H new ATOM 0 HG LEU A 29 124.252 -8.783 1.773 1.00 0.00 H new ATOM 0 HD11 LEU A 29 122.999 -10.933 1.493 1.00 0.00 H new ATOM 0 HD12 LEU A 29 124.564 -11.206 2.294 1.00 0.00 H new ATOM 0 HD13 LEU A 29 123.065 -11.190 3.253 1.00 0.00 H new ATOM 0 HD21 LEU A 29 121.767 -8.809 1.825 1.00 0.00 H new ATOM 0 HD22 LEU A 29 121.810 -9.074 3.585 1.00 0.00 H new ATOM 0 HD23 LEU A 29 122.421 -7.550 2.900 1.00 0.00 H new ATOM 474 N ASP A 30 126.949 -7.859 5.419 1.00 0.00 N ATOM 475 CA ASP A 30 127.690 -7.668 6.694 1.00 0.00 C ATOM 476 C ASP A 30 127.924 -6.176 6.923 1.00 0.00 C ATOM 477 O ASP A 30 127.823 -5.687 8.027 1.00 0.00 O ATOM 478 CB ASP A 30 129.033 -8.400 6.614 1.00 0.00 C ATOM 479 CG ASP A 30 129.811 -8.215 7.922 1.00 0.00 C ATOM 480 OD1 ASP A 30 129.510 -7.283 8.649 1.00 0.00 O ATOM 481 OD2 ASP A 30 130.702 -9.011 8.172 1.00 0.00 O ATOM 0 H ASP A 30 127.428 -8.419 4.714 1.00 0.00 H new ATOM 0 HA ASP A 30 127.110 -8.072 7.523 1.00 0.00 H new ATOM 0 HB2 ASP A 30 128.867 -9.461 6.427 1.00 0.00 H new ATOM 0 HB3 ASP A 30 129.616 -8.016 5.777 1.00 0.00 H new ATOM 486 N ASP A 31 128.251 -5.449 5.892 1.00 0.00 N ATOM 487 CA ASP A 31 128.507 -3.992 6.063 1.00 0.00 C ATOM 488 C ASP A 31 127.199 -3.248 6.357 1.00 0.00 C ATOM 489 O ASP A 31 127.100 -2.508 7.316 1.00 0.00 O ATOM 490 CB ASP A 31 129.128 -3.443 4.778 1.00 0.00 C ATOM 491 CG ASP A 31 130.550 -3.986 4.627 1.00 0.00 C ATOM 492 OD1 ASP A 31 131.146 -4.320 5.638 1.00 0.00 O ATOM 493 OD2 ASP A 31 131.016 -4.067 3.503 1.00 0.00 O ATOM 0 H ASP A 31 128.352 -5.800 4.940 1.00 0.00 H new ATOM 0 HA ASP A 31 129.187 -3.845 6.902 1.00 0.00 H new ATOM 0 HB2 ASP A 31 128.524 -3.731 3.918 1.00 0.00 H new ATOM 0 HB3 ASP A 31 129.144 -2.353 4.806 1.00 0.00 H new ATOM 498 N LEU A 32 126.195 -3.429 5.540 1.00 0.00 N ATOM 499 CA LEU A 32 124.903 -2.719 5.779 1.00 0.00 C ATOM 500 C LEU A 32 124.304 -3.123 7.129 1.00 0.00 C ATOM 501 O LEU A 32 124.027 -2.285 7.960 1.00 0.00 O ATOM 502 CB LEU A 32 123.927 -3.046 4.632 1.00 0.00 C ATOM 503 CG LEU A 32 122.487 -2.637 4.992 1.00 0.00 C ATOM 504 CD1 LEU A 32 122.432 -1.163 5.403 1.00 0.00 C ATOM 505 CD2 LEU A 32 121.591 -2.849 3.771 1.00 0.00 C ATOM 0 H LEU A 32 126.213 -4.036 4.720 1.00 0.00 H new ATOM 0 HA LEU A 32 125.083 -1.644 5.805 1.00 0.00 H new ATOM 0 HB2 LEU A 32 124.240 -2.527 3.726 1.00 0.00 H new ATOM 0 HB3 LEU A 32 123.961 -4.114 4.415 1.00 0.00 H new ATOM 0 HG LEU A 32 122.144 -3.248 5.827 1.00 0.00 H new ATOM 0 HD11 LEU A 32 121.406 -0.893 5.654 1.00 0.00 H new ATOM 0 HD12 LEU A 32 123.072 -1.003 6.271 1.00 0.00 H new ATOM 0 HD13 LEU A 32 122.779 -0.542 4.577 1.00 0.00 H new ATOM 0 HD21 LEU A 32 120.568 -2.562 4.016 1.00 0.00 H new ATOM 0 HD22 LEU A 32 121.952 -2.237 2.944 1.00 0.00 H new ATOM 0 HD23 LEU A 32 121.614 -3.900 3.481 1.00 0.00 H new ATOM 517 N PHE A 33 124.087 -4.389 7.359 1.00 0.00 N ATOM 518 CA PHE A 33 123.481 -4.798 8.660 1.00 0.00 C ATOM 519 C PHE A 33 124.386 -4.353 9.818 1.00 0.00 C ATOM 520 O PHE A 33 123.912 -3.911 10.839 1.00 0.00 O ATOM 521 CB PHE A 33 123.312 -6.325 8.704 1.00 0.00 C ATOM 522 CG PHE A 33 122.082 -6.751 7.919 1.00 0.00 C ATOM 523 CD1 PHE A 33 122.096 -6.685 6.519 1.00 0.00 C ATOM 524 CD2 PHE A 33 120.942 -7.244 8.582 1.00 0.00 C ATOM 525 CE1 PHE A 33 120.984 -7.114 5.782 1.00 0.00 C ATOM 526 CE2 PHE A 33 119.828 -7.663 7.832 1.00 0.00 C ATOM 527 CZ PHE A 33 119.852 -7.603 6.441 1.00 0.00 C ATOM 0 H PHE A 33 124.299 -5.149 6.713 1.00 0.00 H new ATOM 0 HA PHE A 33 122.504 -4.324 8.758 1.00 0.00 H new ATOM 0 HB2 PHE A 33 124.198 -6.806 8.291 1.00 0.00 H new ATOM 0 HB3 PHE A 33 123.222 -6.657 9.738 1.00 0.00 H new ATOM 0 HD1 PHE A 33 122.966 -6.302 6.007 1.00 0.00 H new ATOM 0 HD2 PHE A 33 120.923 -7.300 9.660 1.00 0.00 H new ATOM 0 HE1 PHE A 33 121.001 -7.067 4.703 1.00 0.00 H new ATOM 0 HE2 PHE A 33 118.949 -8.033 8.338 1.00 0.00 H new ATOM 0 HZ PHE A 33 118.996 -7.934 5.871 1.00 0.00 H new ATOM 537 N SER A 34 125.683 -4.469 9.674 1.00 0.00 N ATOM 538 CA SER A 34 126.597 -4.056 10.788 1.00 0.00 C ATOM 539 C SER A 34 126.452 -2.560 11.082 1.00 0.00 C ATOM 540 O SER A 34 126.391 -2.147 12.221 1.00 0.00 O ATOM 541 CB SER A 34 128.048 -4.349 10.406 1.00 0.00 C ATOM 542 OG SER A 34 128.352 -3.701 9.179 1.00 0.00 O ATOM 0 H SER A 34 126.148 -4.829 8.840 1.00 0.00 H new ATOM 0 HA SER A 34 126.325 -4.623 11.679 1.00 0.00 H new ATOM 0 HB2 SER A 34 128.720 -4.000 11.190 1.00 0.00 H new ATOM 0 HB3 SER A 34 128.201 -5.424 10.310 1.00 0.00 H new ATOM 0 HG SER A 34 128.389 -4.365 8.459 1.00 0.00 H new ATOM 548 N PHE A 35 126.409 -1.738 10.074 1.00 0.00 N ATOM 549 CA PHE A 35 126.282 -0.275 10.325 1.00 0.00 C ATOM 550 C PHE A 35 125.014 0.001 11.140 1.00 0.00 C ATOM 551 O PHE A 35 125.058 0.593 12.200 1.00 0.00 O ATOM 552 CB PHE A 35 126.209 0.451 8.981 1.00 0.00 C ATOM 553 CG PHE A 35 126.048 1.932 9.214 1.00 0.00 C ATOM 554 CD1 PHE A 35 127.177 2.750 9.326 1.00 0.00 C ATOM 555 CD2 PHE A 35 124.767 2.486 9.310 1.00 0.00 C ATOM 556 CE1 PHE A 35 127.024 4.125 9.539 1.00 0.00 C ATOM 557 CE2 PHE A 35 124.614 3.859 9.522 1.00 0.00 C ATOM 558 CZ PHE A 35 125.742 4.679 9.636 1.00 0.00 C ATOM 0 H PHE A 35 126.456 -2.012 9.092 1.00 0.00 H new ATOM 0 HA PHE A 35 127.144 0.082 10.888 1.00 0.00 H new ATOM 0 HB2 PHE A 35 127.113 0.260 8.403 1.00 0.00 H new ATOM 0 HB3 PHE A 35 125.371 0.071 8.396 1.00 0.00 H new ATOM 0 HD1 PHE A 35 128.165 2.321 9.248 1.00 0.00 H new ATOM 0 HD2 PHE A 35 123.897 1.853 9.220 1.00 0.00 H new ATOM 0 HE1 PHE A 35 127.894 4.758 9.628 1.00 0.00 H new ATOM 0 HE2 PHE A 35 123.625 4.287 9.598 1.00 0.00 H new ATOM 0 HZ PHE A 35 125.624 5.740 9.799 1.00 0.00 H new ATOM 568 N MET A 36 123.888 -0.434 10.654 1.00 0.00 N ATOM 569 CA MET A 36 122.604 -0.219 11.388 1.00 0.00 C ATOM 570 C MET A 36 122.556 -1.084 12.661 1.00 0.00 C ATOM 571 O MET A 36 121.705 -0.906 13.509 1.00 0.00 O ATOM 572 CB MET A 36 121.449 -0.604 10.464 1.00 0.00 C ATOM 573 CG MET A 36 121.614 -2.064 10.034 1.00 0.00 C ATOM 574 SD MET A 36 120.631 -2.377 8.546 1.00 0.00 S ATOM 575 CE MET A 36 119.434 -3.507 9.287 1.00 0.00 C ATOM 0 H MET A 36 123.797 -0.935 9.770 1.00 0.00 H new ATOM 0 HA MET A 36 122.525 0.828 11.682 1.00 0.00 H new ATOM 0 HB2 MET A 36 120.497 -0.469 10.977 1.00 0.00 H new ATOM 0 HB3 MET A 36 121.435 0.046 9.589 1.00 0.00 H new ATOM 0 HG2 MET A 36 122.665 -2.279 9.839 1.00 0.00 H new ATOM 0 HG3 MET A 36 121.296 -2.728 10.838 1.00 0.00 H new ATOM 0 HE1 MET A 36 118.798 -3.925 8.507 1.00 0.00 H new ATOM 0 HE2 MET A 36 119.962 -4.313 9.796 1.00 0.00 H new ATOM 0 HE3 MET A 36 118.819 -2.965 10.006 1.00 0.00 H new ATOM 585 N GLN A 37 123.441 -2.037 12.782 1.00 0.00 N ATOM 586 CA GLN A 37 123.427 -2.942 13.980 1.00 0.00 C ATOM 587 C GLN A 37 123.612 -2.147 15.276 1.00 0.00 C ATOM 588 O GLN A 37 123.449 -2.686 16.353 1.00 0.00 O ATOM 589 CB GLN A 37 124.537 -3.997 13.870 1.00 0.00 C ATOM 590 CG GLN A 37 124.459 -4.961 15.059 1.00 0.00 C ATOM 591 CD GLN A 37 125.310 -6.198 14.771 1.00 0.00 C ATOM 592 OE1 GLN A 37 124.991 -6.980 13.898 1.00 0.00 O ATOM 593 NE2 GLN A 37 126.388 -6.411 15.475 1.00 0.00 N ATOM 0 H GLN A 37 124.177 -2.232 12.104 1.00 0.00 H new ATOM 0 HA GLN A 37 122.456 -3.437 14.007 1.00 0.00 H new ATOM 0 HB2 GLN A 37 124.435 -4.549 12.936 1.00 0.00 H new ATOM 0 HB3 GLN A 37 125.512 -3.511 13.848 1.00 0.00 H new ATOM 0 HG2 GLN A 37 124.811 -4.467 15.965 1.00 0.00 H new ATOM 0 HG3 GLN A 37 123.424 -5.252 15.237 1.00 0.00 H new ATOM 0 HE21 GLN A 37 126.656 -5.755 16.208 1.00 0.00 H new ATOM 0 HE22 GLN A 37 126.962 -7.234 15.292 1.00 0.00 H new ATOM 602 N LYS A 38 123.957 -0.885 15.206 1.00 0.00 N ATOM 603 CA LYS A 38 124.154 -0.108 16.471 1.00 0.00 C ATOM 604 C LYS A 38 122.989 -0.398 17.421 1.00 0.00 C ATOM 605 O LYS A 38 123.184 -0.666 18.590 1.00 0.00 O ATOM 606 CB LYS A 38 124.203 1.390 16.166 1.00 0.00 C ATOM 607 CG LYS A 38 124.405 2.161 17.475 1.00 0.00 C ATOM 608 CD LYS A 38 124.705 3.631 17.173 1.00 0.00 C ATOM 609 CE LYS A 38 123.534 4.255 16.408 1.00 0.00 C ATOM 610 NZ LYS A 38 123.592 5.738 16.541 1.00 0.00 N ATOM 0 H LYS A 38 124.109 -0.365 14.342 1.00 0.00 H new ATOM 0 HA LYS A 38 125.095 -0.405 16.934 1.00 0.00 H new ATOM 0 HB2 LYS A 38 125.016 1.606 15.473 1.00 0.00 H new ATOM 0 HB3 LYS A 38 123.279 1.706 15.682 1.00 0.00 H new ATOM 0 HG2 LYS A 38 123.512 2.083 18.095 1.00 0.00 H new ATOM 0 HG3 LYS A 38 125.226 1.722 18.043 1.00 0.00 H new ATOM 0 HD2 LYS A 38 124.875 4.175 18.102 1.00 0.00 H new ATOM 0 HD3 LYS A 38 125.619 3.711 16.585 1.00 0.00 H new ATOM 0 HE2 LYS A 38 123.579 3.971 15.357 1.00 0.00 H new ATOM 0 HE3 LYS A 38 122.588 3.880 16.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 122.798 6.164 16.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 123.529 5.999 17.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 124.489 6.087 16.148 1.00 0.00 H new ATOM 624 N ARG A 39 121.783 -0.401 16.922 1.00 0.00 N ATOM 625 CA ARG A 39 120.633 -0.739 17.802 1.00 0.00 C ATOM 626 C ARG A 39 120.770 -2.206 18.212 1.00 0.00 C ATOM 627 O ARG A 39 120.532 -2.567 19.347 1.00 0.00 O ATOM 628 CB ARG A 39 119.311 -0.513 17.067 1.00 0.00 C ATOM 629 CG ARG A 39 119.083 0.989 16.893 1.00 0.00 C ATOM 630 CD ARG A 39 117.726 1.229 16.232 1.00 0.00 C ATOM 631 NE ARG A 39 117.403 2.683 16.277 1.00 0.00 N ATOM 632 CZ ARG A 39 118.019 3.516 15.485 1.00 0.00 C ATOM 633 NH1 ARG A 39 119.149 4.054 15.854 1.00 0.00 N ATOM 634 NH2 ARG A 39 117.503 3.814 14.324 1.00 0.00 N ATOM 0 H ARG A 39 121.547 -0.186 15.953 1.00 0.00 H new ATOM 0 HA ARG A 39 120.635 -0.098 18.684 1.00 0.00 H new ATOM 0 HB2 ARG A 39 119.333 -1.005 16.094 1.00 0.00 H new ATOM 0 HB3 ARG A 39 118.488 -0.955 17.629 1.00 0.00 H new ATOM 0 HG2 ARG A 39 119.120 1.487 17.862 1.00 0.00 H new ATOM 0 HG3 ARG A 39 119.877 1.419 16.283 1.00 0.00 H new ATOM 0 HD2 ARG A 39 117.746 0.882 15.199 1.00 0.00 H new ATOM 0 HD3 ARG A 39 116.953 0.658 16.746 1.00 0.00 H new ATOM 0 HE ARG A 39 116.698 3.028 16.929 1.00 0.00 H new ATOM 0 HH11 ARG A 39 119.551 3.823 16.762 1.00 0.00 H new ATOM 0 HH12 ARG A 39 119.630 4.705 15.234 1.00 0.00 H new ATOM 0 HH21 ARG A 39 116.618 3.395 14.037 1.00 0.00 H new ATOM 0 HH22 ARG A 39 117.984 4.465 13.704 1.00 0.00 H new ATOM 648 N GLY A 40 121.184 -3.048 17.291 1.00 0.00 N ATOM 649 CA GLY A 40 121.381 -4.500 17.607 1.00 0.00 C ATOM 650 C GLY A 40 120.411 -5.374 16.807 1.00 0.00 C ATOM 651 O GLY A 40 120.568 -6.579 16.765 1.00 0.00 O ATOM 0 H GLY A 40 121.395 -2.788 16.327 1.00 0.00 H new ATOM 0 HA2 GLY A 40 122.407 -4.789 17.380 1.00 0.00 H new ATOM 0 HA3 GLY A 40 121.231 -4.667 18.674 1.00 0.00 H new ATOM 655 N THR A 41 119.408 -4.797 16.178 1.00 0.00 N ATOM 656 CA THR A 41 118.430 -5.630 15.391 1.00 0.00 C ATOM 657 C THR A 41 118.587 -5.359 13.882 1.00 0.00 C ATOM 658 O THR A 41 118.988 -4.282 13.483 1.00 0.00 O ATOM 659 CB THR A 41 116.995 -5.284 15.834 1.00 0.00 C ATOM 660 OG1 THR A 41 116.940 -3.920 16.226 1.00 0.00 O ATOM 661 CG2 THR A 41 116.584 -6.174 17.012 1.00 0.00 C ATOM 0 H THR A 41 119.224 -3.794 16.174 1.00 0.00 H new ATOM 0 HA THR A 41 118.629 -6.685 15.578 1.00 0.00 H new ATOM 0 HB THR A 41 116.310 -5.454 15.003 1.00 0.00 H new ATOM 0 HG1 THR A 41 116.028 -3.697 16.507 1.00 0.00 H new ATOM 0 HG21 THR A 41 115.569 -5.924 17.320 1.00 0.00 H new ATOM 0 HG22 THR A 41 116.624 -7.220 16.709 1.00 0.00 H new ATOM 0 HG23 THR A 41 117.267 -6.012 17.846 1.00 0.00 H new ATOM 669 N PRO A 42 118.262 -6.328 13.040 1.00 0.00 N ATOM 670 CA PRO A 42 118.375 -6.137 11.565 1.00 0.00 C ATOM 671 C PRO A 42 117.517 -4.954 11.076 1.00 0.00 C ATOM 672 O PRO A 42 117.226 -4.035 11.815 1.00 0.00 O ATOM 673 CB PRO A 42 117.831 -7.477 11.012 1.00 0.00 C ATOM 674 CG PRO A 42 117.373 -8.358 12.188 1.00 0.00 C ATOM 675 CD PRO A 42 117.776 -7.669 13.495 1.00 0.00 C ATOM 0 HA PRO A 42 119.389 -5.904 11.241 1.00 0.00 H new ATOM 0 HB2 PRO A 42 116.998 -7.293 10.333 1.00 0.00 H new ATOM 0 HB3 PRO A 42 118.604 -7.988 10.438 1.00 0.00 H new ATOM 0 HG2 PRO A 42 116.293 -8.504 12.154 1.00 0.00 H new ATOM 0 HG3 PRO A 42 117.831 -9.345 12.123 1.00 0.00 H new ATOM 0 HD2 PRO A 42 116.933 -7.580 14.180 1.00 0.00 H new ATOM 0 HD3 PRO A 42 118.555 -8.223 14.019 1.00 0.00 H new ATOM 683 N ILE A 43 117.096 -4.991 9.838 1.00 0.00 N ATOM 684 CA ILE A 43 116.235 -3.899 9.293 1.00 0.00 C ATOM 685 C ILE A 43 114.940 -3.864 10.116 1.00 0.00 C ATOM 686 O ILE A 43 114.895 -4.373 11.218 1.00 0.00 O ATOM 687 CB ILE A 43 115.970 -4.186 7.790 1.00 0.00 C ATOM 688 CG1 ILE A 43 115.733 -2.861 7.022 1.00 0.00 C ATOM 689 CG2 ILE A 43 114.757 -5.124 7.611 1.00 0.00 C ATOM 690 CD1 ILE A 43 117.074 -2.242 6.601 1.00 0.00 C ATOM 0 H ILE A 43 117.313 -5.736 9.177 1.00 0.00 H new ATOM 0 HA ILE A 43 116.714 -2.923 9.366 1.00 0.00 H new ATOM 0 HB ILE A 43 116.851 -4.682 7.381 1.00 0.00 H new ATOM 0 HG12 ILE A 43 115.119 -3.048 6.141 1.00 0.00 H new ATOM 0 HG13 ILE A 43 115.183 -2.161 7.651 1.00 0.00 H new ATOM 0 HG21 ILE A 43 114.593 -5.309 6.549 1.00 0.00 H new ATOM 0 HG22 ILE A 43 114.950 -6.069 8.118 1.00 0.00 H new ATOM 0 HG23 ILE A 43 113.870 -4.657 8.039 1.00 0.00 H new ATOM 0 HD11 ILE A 43 116.892 -1.312 6.063 1.00 0.00 H new ATOM 0 HD12 ILE A 43 117.674 -2.037 7.487 1.00 0.00 H new ATOM 0 HD13 ILE A 43 117.609 -2.937 5.954 1.00 0.00 H new ATOM 702 N ASN A 44 113.888 -3.286 9.608 1.00 0.00 N ATOM 703 CA ASN A 44 112.622 -3.259 10.398 1.00 0.00 C ATOM 704 C ASN A 44 111.928 -4.611 10.233 1.00 0.00 C ATOM 705 O ASN A 44 111.739 -5.343 11.184 1.00 0.00 O ATOM 706 CB ASN A 44 111.716 -2.131 9.886 1.00 0.00 C ATOM 707 CG ASN A 44 111.792 -2.055 8.360 1.00 0.00 C ATOM 708 OD1 ASN A 44 111.437 -2.991 7.671 1.00 0.00 O ATOM 709 ND2 ASN A 44 112.241 -0.967 7.797 1.00 0.00 N ATOM 0 H ASN A 44 113.847 -2.837 8.693 1.00 0.00 H new ATOM 0 HA ASN A 44 112.835 -3.077 11.451 1.00 0.00 H new ATOM 0 HB2 ASN A 44 110.687 -2.308 10.199 1.00 0.00 H new ATOM 0 HB3 ASN A 44 112.022 -1.180 10.322 1.00 0.00 H new ATOM 0 HD21 ASN A 44 112.294 -0.903 6.780 1.00 0.00 H new ATOM 0 HD22 ASN A 44 112.539 -0.180 8.374 1.00 0.00 H new ATOM 716 N ARG A 45 111.582 -4.964 9.030 1.00 0.00 N ATOM 717 CA ARG A 45 110.940 -6.284 8.796 1.00 0.00 C ATOM 718 C ARG A 45 110.937 -6.575 7.295 1.00 0.00 C ATOM 719 O ARG A 45 110.646 -5.714 6.487 1.00 0.00 O ATOM 720 CB ARG A 45 109.506 -6.287 9.345 1.00 0.00 C ATOM 721 CG ARG A 45 108.663 -5.216 8.646 1.00 0.00 C ATOM 722 CD ARG A 45 107.247 -5.231 9.229 1.00 0.00 C ATOM 723 NE ARG A 45 107.270 -4.672 10.610 1.00 0.00 N ATOM 724 CZ ARG A 45 107.364 -3.383 10.793 1.00 0.00 C ATOM 725 NH1 ARG A 45 106.353 -2.607 10.510 1.00 0.00 N ATOM 726 NH2 ARG A 45 108.469 -2.870 11.258 1.00 0.00 N ATOM 0 H ARG A 45 111.717 -4.393 8.195 1.00 0.00 H new ATOM 0 HA ARG A 45 111.502 -7.060 9.316 1.00 0.00 H new ATOM 0 HB2 ARG A 45 109.055 -7.268 9.196 1.00 0.00 H new ATOM 0 HB3 ARG A 45 109.521 -6.103 10.419 1.00 0.00 H new ATOM 0 HG2 ARG A 45 109.115 -4.234 8.783 1.00 0.00 H new ATOM 0 HG3 ARG A 45 108.630 -5.405 7.573 1.00 0.00 H new ATOM 0 HD2 ARG A 45 106.577 -4.645 8.600 1.00 0.00 H new ATOM 0 HD3 ARG A 45 106.860 -6.250 9.244 1.00 0.00 H new ATOM 0 HE ARG A 45 107.212 -5.298 11.414 1.00 0.00 H new ATOM 0 HH11 ARG A 45 105.489 -3.008 10.146 1.00 0.00 H new ATOM 0 HH12 ARG A 45 106.427 -1.600 10.653 1.00 0.00 H new ATOM 0 HH21 ARG A 45 109.259 -3.476 11.479 1.00 0.00 H new ATOM 0 HH22 ARG A 45 108.543 -1.863 11.401 1.00 0.00 H new ATOM 740 N LEU A 46 111.259 -7.786 6.919 1.00 0.00 N ATOM 741 CA LEU A 46 111.278 -8.167 5.471 1.00 0.00 C ATOM 742 C LEU A 46 110.235 -9.281 5.261 1.00 0.00 C ATOM 743 O LEU A 46 110.511 -10.429 5.545 1.00 0.00 O ATOM 744 CB LEU A 46 112.678 -8.699 5.099 1.00 0.00 C ATOM 745 CG LEU A 46 113.295 -9.480 6.287 1.00 0.00 C ATOM 746 CD1 LEU A 46 114.191 -10.614 5.770 1.00 0.00 C ATOM 747 CD2 LEU A 46 114.147 -8.534 7.152 1.00 0.00 C ATOM 0 H LEU A 46 111.513 -8.537 7.560 1.00 0.00 H new ATOM 0 HA LEU A 46 111.047 -7.304 4.846 1.00 0.00 H new ATOM 0 HB2 LEU A 46 112.607 -9.349 4.227 1.00 0.00 H new ATOM 0 HB3 LEU A 46 113.328 -7.868 4.825 1.00 0.00 H new ATOM 0 HG LEU A 46 112.483 -9.897 6.882 1.00 0.00 H new ATOM 0 HD11 LEU A 46 114.618 -11.154 6.615 1.00 0.00 H new ATOM 0 HD12 LEU A 46 113.598 -11.299 5.164 1.00 0.00 H new ATOM 0 HD13 LEU A 46 114.994 -10.195 5.164 1.00 0.00 H new ATOM 0 HD21 LEU A 46 114.577 -9.091 7.985 1.00 0.00 H new ATOM 0 HD22 LEU A 46 114.948 -8.110 6.547 1.00 0.00 H new ATOM 0 HD23 LEU A 46 113.520 -7.730 7.538 1.00 0.00 H new ATOM 759 N PRO A 47 109.040 -8.975 4.786 1.00 0.00 N ATOM 760 CA PRO A 47 108.020 -10.041 4.596 1.00 0.00 C ATOM 761 C PRO A 47 108.473 -11.093 3.575 1.00 0.00 C ATOM 762 O PRO A 47 109.501 -10.954 2.938 1.00 0.00 O ATOM 763 CB PRO A 47 106.778 -9.255 4.120 1.00 0.00 C ATOM 764 CG PRO A 47 107.133 -7.753 4.076 1.00 0.00 C ATOM 765 CD PRO A 47 108.628 -7.591 4.409 1.00 0.00 C ATOM 0 HA PRO A 47 107.831 -10.618 5.501 1.00 0.00 H new ATOM 0 HB2 PRO A 47 106.467 -9.599 3.134 1.00 0.00 H new ATOM 0 HB3 PRO A 47 105.940 -9.426 4.796 1.00 0.00 H new ATOM 0 HG2 PRO A 47 106.919 -7.342 3.089 1.00 0.00 H new ATOM 0 HG3 PRO A 47 106.524 -7.199 4.791 1.00 0.00 H new ATOM 0 HD2 PRO A 47 109.194 -7.220 3.554 1.00 0.00 H new ATOM 0 HD3 PRO A 47 108.786 -6.886 5.226 1.00 0.00 H new ATOM 773 N ILE A 48 107.709 -12.146 3.423 1.00 0.00 N ATOM 774 CA ILE A 48 108.077 -13.221 2.460 1.00 0.00 C ATOM 775 C ILE A 48 107.119 -13.166 1.279 1.00 0.00 C ATOM 776 O ILE A 48 105.916 -13.132 1.448 1.00 0.00 O ATOM 777 CB ILE A 48 107.930 -14.586 3.130 1.00 0.00 C ATOM 778 CG1 ILE A 48 108.788 -14.651 4.407 1.00 0.00 C ATOM 779 CG2 ILE A 48 108.376 -15.676 2.150 1.00 0.00 C ATOM 780 CD1 ILE A 48 110.248 -14.291 4.106 1.00 0.00 C ATOM 0 H ILE A 48 106.839 -12.305 3.931 1.00 0.00 H new ATOM 0 HA ILE A 48 109.107 -13.077 2.133 1.00 0.00 H new ATOM 0 HB ILE A 48 106.887 -14.741 3.405 1.00 0.00 H new ATOM 0 HG12 ILE A 48 108.387 -13.966 5.154 1.00 0.00 H new ATOM 0 HG13 ILE A 48 108.737 -15.653 4.833 1.00 0.00 H new ATOM 0 HG21 ILE A 48 108.274 -16.653 2.622 1.00 0.00 H new ATOM 0 HG22 ILE A 48 107.754 -15.638 1.256 1.00 0.00 H new ATOM 0 HG23 ILE A 48 109.418 -15.513 1.874 1.00 0.00 H new ATOM 0 HD11 ILE A 48 110.833 -14.344 5.024 1.00 0.00 H new ATOM 0 HD12 ILE A 48 110.653 -14.993 3.377 1.00 0.00 H new ATOM 0 HD13 ILE A 48 110.298 -13.280 3.703 1.00 0.00 H new ATOM 792 N MET A 49 107.643 -13.159 0.087 1.00 0.00 N ATOM 793 CA MET A 49 106.769 -13.109 -1.126 1.00 0.00 C ATOM 794 C MET A 49 106.662 -14.504 -1.753 1.00 0.00 C ATOM 795 O MET A 49 107.640 -15.142 -2.085 1.00 0.00 O ATOM 796 CB MET A 49 107.337 -12.113 -2.147 1.00 0.00 C ATOM 797 CG MET A 49 108.838 -12.339 -2.338 1.00 0.00 C ATOM 798 SD MET A 49 109.454 -11.229 -3.631 1.00 0.00 S ATOM 799 CE MET A 49 109.098 -9.664 -2.795 1.00 0.00 C ATOM 0 H MET A 49 108.644 -13.186 -0.105 1.00 0.00 H new ATOM 0 HA MET A 49 105.774 -12.778 -0.830 1.00 0.00 H new ATOM 0 HB2 MET A 49 106.822 -12.227 -3.101 1.00 0.00 H new ATOM 0 HB3 MET A 49 107.157 -11.093 -1.808 1.00 0.00 H new ATOM 0 HG2 MET A 49 109.367 -12.155 -1.403 1.00 0.00 H new ATOM 0 HG3 MET A 49 109.029 -13.376 -2.613 1.00 0.00 H new ATOM 0 HE1 MET A 49 109.800 -8.902 -3.135 1.00 0.00 H new ATOM 0 HE2 MET A 49 108.081 -9.350 -3.028 1.00 0.00 H new ATOM 0 HE3 MET A 49 109.199 -9.796 -1.718 1.00 0.00 H new ATOM 809 N ALA A 50 105.458 -14.963 -1.914 1.00 0.00 N ATOM 810 CA ALA A 50 105.200 -16.302 -2.520 1.00 0.00 C ATOM 811 C ALA A 50 106.219 -17.345 -2.049 1.00 0.00 C ATOM 812 O ALA A 50 106.048 -17.969 -1.021 1.00 0.00 O ATOM 813 CB ALA A 50 105.290 -16.180 -4.040 1.00 0.00 C ATOM 0 H ALA A 50 104.616 -14.455 -1.645 1.00 0.00 H new ATOM 0 HA ALA A 50 104.208 -16.630 -2.209 1.00 0.00 H new ATOM 0 HB1 ALA A 50 105.103 -17.153 -4.495 1.00 0.00 H new ATOM 0 HB2 ALA A 50 104.546 -15.466 -4.392 1.00 0.00 H new ATOM 0 HB3 ALA A 50 106.285 -15.834 -4.319 1.00 0.00 H new ATOM 819 N LYS A 51 107.268 -17.550 -2.811 1.00 0.00 N ATOM 820 CA LYS A 51 108.305 -18.572 -2.443 1.00 0.00 C ATOM 821 C LYS A 51 109.660 -17.893 -2.261 1.00 0.00 C ATOM 822 O LYS A 51 110.636 -18.521 -1.901 1.00 0.00 O ATOM 823 CB LYS A 51 108.394 -19.623 -3.561 1.00 0.00 C ATOM 824 CG LYS A 51 108.820 -18.964 -4.880 1.00 0.00 C ATOM 825 CD LYS A 51 108.873 -20.025 -5.983 1.00 0.00 C ATOM 826 CE LYS A 51 109.351 -19.388 -7.290 1.00 0.00 C ATOM 827 NZ LYS A 51 110.798 -19.045 -7.176 1.00 0.00 N ATOM 0 H LYS A 51 107.453 -17.049 -3.680 1.00 0.00 H new ATOM 0 HA LYS A 51 108.025 -19.056 -1.507 1.00 0.00 H new ATOM 0 HB2 LYS A 51 109.110 -20.397 -3.285 1.00 0.00 H new ATOM 0 HB3 LYS A 51 107.428 -20.113 -3.687 1.00 0.00 H new ATOM 0 HG2 LYS A 51 108.116 -18.177 -5.150 1.00 0.00 H new ATOM 0 HG3 LYS A 51 109.796 -18.493 -4.766 1.00 0.00 H new ATOM 0 HD2 LYS A 51 109.546 -20.832 -5.693 1.00 0.00 H new ATOM 0 HD3 LYS A 51 107.887 -20.468 -6.123 1.00 0.00 H new ATOM 0 HE2 LYS A 51 109.194 -20.076 -8.121 1.00 0.00 H new ATOM 0 HE3 LYS A 51 108.769 -18.491 -7.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 111.193 -18.887 -8.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 110.906 -18.181 -6.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 111.305 -19.828 -6.716 1.00 0.00 H new ATOM 841 N SER A 52 109.720 -16.609 -2.499 1.00 0.00 N ATOM 842 CA SER A 52 110.998 -15.850 -2.338 1.00 0.00 C ATOM 843 C SER A 52 110.787 -14.784 -1.267 1.00 0.00 C ATOM 844 O SER A 52 109.692 -14.620 -0.766 1.00 0.00 O ATOM 845 CB SER A 52 111.367 -15.181 -3.664 1.00 0.00 C ATOM 846 OG SER A 52 111.921 -16.152 -4.542 1.00 0.00 O ATOM 0 H SER A 52 108.926 -16.045 -2.803 1.00 0.00 H new ATOM 0 HA SER A 52 111.804 -16.523 -2.046 1.00 0.00 H new ATOM 0 HB2 SER A 52 110.484 -14.729 -4.114 1.00 0.00 H new ATOM 0 HB3 SER A 52 112.084 -14.378 -3.492 1.00 0.00 H new ATOM 0 HG SER A 52 112.157 -15.727 -5.393 1.00 0.00 H new ATOM 852 N VAL A 53 111.820 -14.062 -0.906 1.00 0.00 N ATOM 853 CA VAL A 53 111.676 -13.002 0.144 1.00 0.00 C ATOM 854 C VAL A 53 112.101 -11.653 -0.436 1.00 0.00 C ATOM 855 O VAL A 53 112.850 -11.582 -1.391 1.00 0.00 O ATOM 856 CB VAL A 53 112.525 -13.382 1.379 1.00 0.00 C ATOM 857 CG1 VAL A 53 112.548 -14.917 1.523 1.00 0.00 C ATOM 858 CG2 VAL A 53 113.971 -12.862 1.254 1.00 0.00 C ATOM 0 H VAL A 53 112.759 -14.160 -1.293 1.00 0.00 H new ATOM 0 HA VAL A 53 110.636 -12.923 0.461 1.00 0.00 H new ATOM 0 HB VAL A 53 112.074 -12.921 2.258 1.00 0.00 H new ATOM 0 HG11 VAL A 53 113.145 -15.192 2.392 1.00 0.00 H new ATOM 0 HG12 VAL A 53 111.530 -15.286 1.651 1.00 0.00 H new ATOM 0 HG13 VAL A 53 112.985 -15.360 0.628 1.00 0.00 H new ATOM 0 HG21 VAL A 53 114.538 -13.148 2.140 1.00 0.00 H new ATOM 0 HG22 VAL A 53 114.438 -13.294 0.369 1.00 0.00 H new ATOM 0 HG23 VAL A 53 113.961 -11.776 1.165 1.00 0.00 H new ATOM 868 N LEU A 54 111.616 -10.586 0.127 1.00 0.00 N ATOM 869 CA LEU A 54 111.978 -9.243 -0.403 1.00 0.00 C ATOM 870 C LEU A 54 113.492 -9.039 -0.276 1.00 0.00 C ATOM 871 O LEU A 54 113.992 -8.637 0.756 1.00 0.00 O ATOM 872 CB LEU A 54 111.236 -8.174 0.410 1.00 0.00 C ATOM 873 CG LEU A 54 111.522 -6.770 -0.147 1.00 0.00 C ATOM 874 CD1 LEU A 54 110.893 -6.607 -1.541 1.00 0.00 C ATOM 875 CD2 LEU A 54 110.928 -5.729 0.807 1.00 0.00 C ATOM 0 H LEU A 54 110.986 -10.583 0.929 1.00 0.00 H new ATOM 0 HA LEU A 54 111.695 -9.164 -1.453 1.00 0.00 H new ATOM 0 HB2 LEU A 54 110.164 -8.369 0.384 1.00 0.00 H new ATOM 0 HB3 LEU A 54 111.544 -8.226 1.454 1.00 0.00 H new ATOM 0 HG LEU A 54 112.600 -6.630 -0.233 1.00 0.00 H new ATOM 0 HD11 LEU A 54 111.105 -5.608 -1.921 1.00 0.00 H new ATOM 0 HD12 LEU A 54 111.313 -7.350 -2.219 1.00 0.00 H new ATOM 0 HD13 LEU A 54 109.814 -6.748 -1.472 1.00 0.00 H new ATOM 0 HD21 LEU A 54 111.125 -4.728 0.422 1.00 0.00 H new ATOM 0 HD22 LEU A 54 109.852 -5.882 0.888 1.00 0.00 H new ATOM 0 HD23 LEU A 54 111.384 -5.835 1.791 1.00 0.00 H new ATOM 887 N ASP A 55 114.222 -9.307 -1.327 1.00 0.00 N ATOM 888 CA ASP A 55 115.701 -9.122 -1.283 1.00 0.00 C ATOM 889 C ASP A 55 116.010 -7.623 -1.231 1.00 0.00 C ATOM 890 O ASP A 55 116.035 -6.953 -2.245 1.00 0.00 O ATOM 891 CB ASP A 55 116.322 -9.730 -2.543 1.00 0.00 C ATOM 892 CG ASP A 55 117.847 -9.732 -2.420 1.00 0.00 C ATOM 893 OD1 ASP A 55 118.356 -9.006 -1.583 1.00 0.00 O ATOM 894 OD2 ASP A 55 118.480 -10.462 -3.166 1.00 0.00 O ATOM 0 H ASP A 55 113.856 -9.647 -2.216 1.00 0.00 H new ATOM 0 HA ASP A 55 116.114 -9.614 -0.403 1.00 0.00 H new ATOM 0 HB2 ASP A 55 115.958 -10.748 -2.684 1.00 0.00 H new ATOM 0 HB3 ASP A 55 116.020 -9.159 -3.421 1.00 0.00 H new ATOM 899 N LEU A 56 116.238 -7.087 -0.063 1.00 0.00 N ATOM 900 CA LEU A 56 116.534 -5.628 0.034 1.00 0.00 C ATOM 901 C LEU A 56 117.710 -5.280 -0.881 1.00 0.00 C ATOM 902 O LEU A 56 117.847 -4.160 -1.329 1.00 0.00 O ATOM 903 CB LEU A 56 116.865 -5.264 1.487 1.00 0.00 C ATOM 904 CG LEU A 56 118.086 -6.080 1.988 1.00 0.00 C ATOM 905 CD1 LEU A 56 119.360 -5.229 1.932 1.00 0.00 C ATOM 906 CD2 LEU A 56 117.862 -6.523 3.439 1.00 0.00 C ATOM 0 H LEU A 56 116.232 -7.592 0.823 1.00 0.00 H new ATOM 0 HA LEU A 56 115.661 -5.058 -0.282 1.00 0.00 H new ATOM 0 HB2 LEU A 56 117.078 -4.198 1.561 1.00 0.00 H new ATOM 0 HB3 LEU A 56 116.002 -5.462 2.123 1.00 0.00 H new ATOM 0 HG LEU A 56 118.198 -6.951 1.343 1.00 0.00 H new ATOM 0 HD11 LEU A 56 120.206 -5.817 2.287 1.00 0.00 H new ATOM 0 HD12 LEU A 56 119.542 -4.914 0.905 1.00 0.00 H new ATOM 0 HD13 LEU A 56 119.238 -4.350 2.565 1.00 0.00 H new ATOM 0 HD21 LEU A 56 118.724 -7.095 3.782 1.00 0.00 H new ATOM 0 HD22 LEU A 56 117.734 -5.645 4.072 1.00 0.00 H new ATOM 0 HD23 LEU A 56 116.968 -7.144 3.496 1.00 0.00 H new ATOM 918 N TYR A 57 118.559 -6.231 -1.170 1.00 0.00 N ATOM 919 CA TYR A 57 119.717 -5.941 -2.062 1.00 0.00 C ATOM 920 C TYR A 57 119.185 -5.472 -3.416 1.00 0.00 C ATOM 921 O TYR A 57 119.690 -4.536 -4.002 1.00 0.00 O ATOM 922 CB TYR A 57 120.549 -7.219 -2.262 1.00 0.00 C ATOM 923 CG TYR A 57 121.898 -6.874 -2.871 1.00 0.00 C ATOM 924 CD1 TYR A 57 121.989 -6.433 -4.202 1.00 0.00 C ATOM 925 CD2 TYR A 57 123.065 -6.997 -2.099 1.00 0.00 C ATOM 926 CE1 TYR A 57 123.235 -6.115 -4.751 1.00 0.00 C ATOM 927 CE2 TYR A 57 124.311 -6.679 -2.654 1.00 0.00 C ATOM 928 CZ TYR A 57 124.394 -6.235 -3.979 1.00 0.00 C ATOM 929 OH TYR A 57 125.622 -5.922 -4.525 1.00 0.00 O ATOM 0 H TYR A 57 118.500 -7.190 -0.829 1.00 0.00 H new ATOM 0 HA TYR A 57 120.344 -5.170 -1.614 1.00 0.00 H new ATOM 0 HB2 TYR A 57 120.691 -7.723 -1.306 1.00 0.00 H new ATOM 0 HB3 TYR A 57 120.015 -7.912 -2.912 1.00 0.00 H new ATOM 0 HD1 TYR A 57 121.096 -6.340 -4.802 1.00 0.00 H new ATOM 0 HD2 TYR A 57 123.001 -7.337 -1.076 1.00 0.00 H new ATOM 0 HE1 TYR A 57 123.302 -5.776 -5.774 1.00 0.00 H new ATOM 0 HE2 TYR A 57 125.208 -6.776 -2.060 1.00 0.00 H new ATOM 0 HH TYR A 57 126.323 -6.059 -3.854 1.00 0.00 H new ATOM 939 N GLU A 58 118.176 -6.129 -3.924 1.00 0.00 N ATOM 940 CA GLU A 58 117.623 -5.731 -5.250 1.00 0.00 C ATOM 941 C GLU A 58 117.114 -4.291 -5.169 1.00 0.00 C ATOM 942 O GLU A 58 117.323 -3.501 -6.068 1.00 0.00 O ATOM 943 CB GLU A 58 116.471 -6.675 -5.621 1.00 0.00 C ATOM 944 CG GLU A 58 115.908 -6.310 -7.000 1.00 0.00 C ATOM 945 CD GLU A 58 116.992 -6.489 -8.065 1.00 0.00 C ATOM 946 OE1 GLU A 58 117.895 -7.277 -7.837 1.00 0.00 O ATOM 947 OE2 GLU A 58 116.901 -5.835 -9.090 1.00 0.00 O ATOM 0 H GLU A 58 117.713 -6.921 -3.479 1.00 0.00 H new ATOM 0 HA GLU A 58 118.399 -5.796 -6.013 1.00 0.00 H new ATOM 0 HB2 GLU A 58 116.824 -7.706 -5.626 1.00 0.00 H new ATOM 0 HB3 GLU A 58 115.683 -6.611 -4.870 1.00 0.00 H new ATOM 0 HG2 GLU A 58 115.050 -6.941 -7.231 1.00 0.00 H new ATOM 0 HG3 GLU A 58 115.554 -5.279 -6.997 1.00 0.00 H new ATOM 954 N LEU A 59 116.462 -3.931 -4.097 1.00 0.00 N ATOM 955 CA LEU A 59 115.969 -2.532 -3.979 1.00 0.00 C ATOM 956 C LEU A 59 117.166 -1.587 -4.045 1.00 0.00 C ATOM 957 O LEU A 59 117.170 -0.620 -4.781 1.00 0.00 O ATOM 958 CB LEU A 59 115.246 -2.344 -2.634 1.00 0.00 C ATOM 959 CG LEU A 59 114.776 -0.886 -2.469 1.00 0.00 C ATOM 960 CD1 LEU A 59 113.748 -0.532 -3.554 1.00 0.00 C ATOM 961 CD2 LEU A 59 114.140 -0.716 -1.085 1.00 0.00 C ATOM 0 H LEU A 59 116.252 -4.539 -3.306 1.00 0.00 H new ATOM 0 HA LEU A 59 115.273 -2.317 -4.790 1.00 0.00 H new ATOM 0 HB2 LEU A 59 114.390 -3.016 -2.578 1.00 0.00 H new ATOM 0 HB3 LEU A 59 115.914 -2.611 -1.815 1.00 0.00 H new ATOM 0 HG LEU A 59 115.633 -0.220 -2.568 1.00 0.00 H new ATOM 0 HD11 LEU A 59 113.424 0.501 -3.426 1.00 0.00 H new ATOM 0 HD12 LEU A 59 114.202 -0.650 -4.538 1.00 0.00 H new ATOM 0 HD13 LEU A 59 112.887 -1.195 -3.470 1.00 0.00 H new ATOM 0 HD21 LEU A 59 113.805 0.314 -0.962 1.00 0.00 H new ATOM 0 HD22 LEU A 59 113.287 -1.388 -0.991 1.00 0.00 H new ATOM 0 HD23 LEU A 59 114.875 -0.953 -0.315 1.00 0.00 H new ATOM 973 N TYR A 60 118.173 -1.849 -3.258 1.00 0.00 N ATOM 974 CA TYR A 60 119.362 -0.956 -3.251 1.00 0.00 C ATOM 975 C TYR A 60 120.034 -0.919 -4.628 1.00 0.00 C ATOM 976 O TYR A 60 120.319 0.139 -5.152 1.00 0.00 O ATOM 977 CB TYR A 60 120.371 -1.429 -2.205 1.00 0.00 C ATOM 978 CG TYR A 60 121.449 -0.383 -2.114 1.00 0.00 C ATOM 979 CD1 TYR A 60 121.128 0.887 -1.633 1.00 0.00 C ATOM 980 CD2 TYR A 60 122.750 -0.659 -2.552 1.00 0.00 C ATOM 981 CE1 TYR A 60 122.093 1.880 -1.589 1.00 0.00 C ATOM 982 CE2 TYR A 60 123.728 0.339 -2.496 1.00 0.00 C ATOM 983 CZ TYR A 60 123.396 1.613 -2.015 1.00 0.00 C ATOM 984 OH TYR A 60 124.343 2.608 -1.975 1.00 0.00 O ATOM 0 H TYR A 60 118.222 -2.643 -2.620 1.00 0.00 H new ATOM 0 HA TYR A 60 119.023 0.050 -3.003 1.00 0.00 H new ATOM 0 HB2 TYR A 60 119.886 -1.566 -1.238 1.00 0.00 H new ATOM 0 HB3 TYR A 60 120.794 -2.393 -2.488 1.00 0.00 H new ATOM 0 HD1 TYR A 60 120.124 1.096 -1.294 1.00 0.00 H new ATOM 0 HD2 TYR A 60 122.997 -1.639 -2.932 1.00 0.00 H new ATOM 0 HE1 TYR A 60 121.837 2.864 -1.224 1.00 0.00 H new ATOM 0 HE2 TYR A 60 124.736 0.129 -2.822 1.00 0.00 H new ATOM 0 HH TYR A 60 125.198 2.260 -2.304 1.00 0.00 H new ATOM 994 N ASN A 61 120.308 -2.054 -5.217 1.00 0.00 N ATOM 995 CA ASN A 61 120.979 -2.039 -6.548 1.00 0.00 C ATOM 996 C ASN A 61 120.126 -1.216 -7.526 1.00 0.00 C ATOM 997 O ASN A 61 120.627 -0.364 -8.233 1.00 0.00 O ATOM 998 CB ASN A 61 121.172 -3.505 -7.031 1.00 0.00 C ATOM 999 CG ASN A 61 120.431 -3.779 -8.350 1.00 0.00 C ATOM 1000 OD1 ASN A 61 120.646 -3.099 -9.333 1.00 0.00 O ATOM 1001 ND2 ASN A 61 119.562 -4.750 -8.406 1.00 0.00 N ATOM 0 H ASN A 61 120.099 -2.978 -4.839 1.00 0.00 H new ATOM 0 HA ASN A 61 121.963 -1.574 -6.488 1.00 0.00 H new ATOM 0 HB2 ASN A 61 122.235 -3.706 -7.164 1.00 0.00 H new ATOM 0 HB3 ASN A 61 120.812 -4.190 -6.264 1.00 0.00 H new ATOM 0 HD21 ASN A 61 119.063 -4.938 -9.275 1.00 0.00 H new ATOM 0 HD22 ASN A 61 119.381 -5.321 -7.580 1.00 0.00 H new ATOM 1008 N LEU A 62 118.846 -1.463 -7.570 1.00 0.00 N ATOM 1009 CA LEU A 62 117.973 -0.694 -8.501 1.00 0.00 C ATOM 1010 C LEU A 62 118.017 0.794 -8.141 1.00 0.00 C ATOM 1011 O LEU A 62 118.069 1.648 -9.000 1.00 0.00 O ATOM 1012 CB LEU A 62 116.527 -1.185 -8.372 1.00 0.00 C ATOM 1013 CG LEU A 62 116.390 -2.612 -8.924 1.00 0.00 C ATOM 1014 CD1 LEU A 62 114.995 -3.142 -8.578 1.00 0.00 C ATOM 1015 CD2 LEU A 62 116.585 -2.622 -10.453 1.00 0.00 C ATOM 0 H LEU A 62 118.367 -2.163 -7.003 1.00 0.00 H new ATOM 0 HA LEU A 62 118.328 -0.840 -9.521 1.00 0.00 H new ATOM 0 HB2 LEU A 62 116.222 -1.163 -7.326 1.00 0.00 H new ATOM 0 HB3 LEU A 62 115.860 -0.514 -8.913 1.00 0.00 H new ATOM 0 HG LEU A 62 117.155 -3.246 -8.476 1.00 0.00 H new ATOM 0 HD11 LEU A 62 114.885 -4.155 -8.965 1.00 0.00 H new ATOM 0 HD12 LEU A 62 114.867 -3.151 -7.496 1.00 0.00 H new ATOM 0 HD13 LEU A 62 114.239 -2.498 -9.027 1.00 0.00 H new ATOM 0 HD21 LEU A 62 116.484 -3.641 -10.826 1.00 0.00 H new ATOM 0 HD22 LEU A 62 115.831 -1.989 -10.920 1.00 0.00 H new ATOM 0 HD23 LEU A 62 117.578 -2.243 -10.696 1.00 0.00 H new ATOM 1027 N VAL A 63 117.979 1.109 -6.876 1.00 0.00 N ATOM 1028 CA VAL A 63 117.998 2.543 -6.455 1.00 0.00 C ATOM 1029 C VAL A 63 119.283 3.233 -6.931 1.00 0.00 C ATOM 1030 O VAL A 63 119.240 4.295 -7.519 1.00 0.00 O ATOM 1031 CB VAL A 63 117.895 2.597 -4.920 1.00 0.00 C ATOM 1032 CG1 VAL A 63 118.306 3.981 -4.400 1.00 0.00 C ATOM 1033 CG2 VAL A 63 116.445 2.306 -4.500 1.00 0.00 C ATOM 0 H VAL A 63 117.935 0.435 -6.112 1.00 0.00 H new ATOM 0 HA VAL A 63 117.157 3.070 -6.905 1.00 0.00 H new ATOM 0 HB VAL A 63 118.566 1.850 -4.495 1.00 0.00 H new ATOM 0 HG11 VAL A 63 118.227 4.000 -3.313 1.00 0.00 H new ATOM 0 HG12 VAL A 63 119.335 4.189 -4.692 1.00 0.00 H new ATOM 0 HG13 VAL A 63 117.648 4.739 -4.825 1.00 0.00 H new ATOM 0 HG21 VAL A 63 116.367 2.343 -3.413 1.00 0.00 H new ATOM 0 HG22 VAL A 63 115.783 3.053 -4.937 1.00 0.00 H new ATOM 0 HG23 VAL A 63 116.156 1.315 -4.851 1.00 0.00 H new ATOM 1043 N ILE A 64 120.422 2.652 -6.680 1.00 0.00 N ATOM 1044 CA ILE A 64 121.692 3.301 -7.119 1.00 0.00 C ATOM 1045 C ILE A 64 121.726 3.376 -8.648 1.00 0.00 C ATOM 1046 O ILE A 64 122.106 4.377 -9.221 1.00 0.00 O ATOM 1047 CB ILE A 64 122.882 2.475 -6.610 1.00 0.00 C ATOM 1048 CG1 ILE A 64 122.962 2.553 -5.070 1.00 0.00 C ATOM 1049 CG2 ILE A 64 124.189 2.988 -7.226 1.00 0.00 C ATOM 1050 CD1 ILE A 64 123.486 3.922 -4.581 1.00 0.00 C ATOM 0 H ILE A 64 120.531 1.762 -6.193 1.00 0.00 H new ATOM 0 HA ILE A 64 121.751 4.310 -6.712 1.00 0.00 H new ATOM 0 HB ILE A 64 122.737 1.436 -6.907 1.00 0.00 H new ATOM 0 HG12 ILE A 64 121.974 2.372 -4.647 1.00 0.00 H new ATOM 0 HG13 ILE A 64 123.616 1.763 -4.701 1.00 0.00 H new ATOM 0 HG21 ILE A 64 125.024 2.393 -6.856 1.00 0.00 H new ATOM 0 HG22 ILE A 64 124.137 2.905 -8.312 1.00 0.00 H new ATOM 0 HG23 ILE A 64 124.337 4.032 -6.949 1.00 0.00 H new ATOM 0 HD11 ILE A 64 123.525 3.929 -3.492 1.00 0.00 H new ATOM 0 HD12 ILE A 64 124.486 4.093 -4.981 1.00 0.00 H new ATOM 0 HD13 ILE A 64 122.818 4.711 -4.925 1.00 0.00 H new ATOM 1062 N ALA A 65 121.338 2.326 -9.312 1.00 0.00 N ATOM 1063 CA ALA A 65 121.353 2.336 -10.801 1.00 0.00 C ATOM 1064 C ALA A 65 120.462 3.466 -11.324 1.00 0.00 C ATOM 1065 O ALA A 65 120.451 3.760 -12.503 1.00 0.00 O ATOM 1066 CB ALA A 65 120.837 0.994 -11.326 1.00 0.00 C ATOM 0 H ALA A 65 121.010 1.458 -8.888 1.00 0.00 H new ATOM 0 HA ALA A 65 122.374 2.496 -11.148 1.00 0.00 H new ATOM 0 HB1 ALA A 65 120.848 1.001 -12.416 1.00 0.00 H new ATOM 0 HB2 ALA A 65 121.477 0.190 -10.962 1.00 0.00 H new ATOM 0 HB3 ALA A 65 119.818 0.833 -10.974 1.00 0.00 H new ATOM 1072 N ARG A 66 119.698 4.089 -10.461 1.00 0.00 N ATOM 1073 CA ARG A 66 118.784 5.188 -10.909 1.00 0.00 C ATOM 1074 C ARG A 66 119.403 6.558 -10.612 1.00 0.00 C ATOM 1075 O ARG A 66 118.759 7.579 -10.760 1.00 0.00 O ATOM 1076 CB ARG A 66 117.449 5.054 -10.170 1.00 0.00 C ATOM 1077 CG ARG A 66 116.704 3.794 -10.644 1.00 0.00 C ATOM 1078 CD ARG A 66 115.981 4.059 -11.971 1.00 0.00 C ATOM 1079 NE ARG A 66 115.161 2.867 -12.323 1.00 0.00 N ATOM 1080 CZ ARG A 66 114.202 2.480 -11.530 1.00 0.00 C ATOM 1081 NH1 ARG A 66 113.681 3.320 -10.678 1.00 0.00 N ATOM 1082 NH2 ARG A 66 113.769 1.251 -11.585 1.00 0.00 N ATOM 0 H ARG A 66 119.667 3.884 -9.462 1.00 0.00 H new ATOM 0 HA ARG A 66 118.627 5.108 -11.985 1.00 0.00 H new ATOM 0 HB2 ARG A 66 117.624 5.000 -9.095 1.00 0.00 H new ATOM 0 HB3 ARG A 66 116.836 5.937 -10.349 1.00 0.00 H new ATOM 0 HG2 ARG A 66 117.410 2.972 -10.766 1.00 0.00 H new ATOM 0 HG3 ARG A 66 115.983 3.485 -9.887 1.00 0.00 H new ATOM 0 HD2 ARG A 66 115.346 4.941 -11.884 1.00 0.00 H new ATOM 0 HD3 ARG A 66 116.705 4.264 -12.760 1.00 0.00 H new ATOM 0 HE ARG A 66 115.350 2.354 -13.184 1.00 0.00 H new ATOM 0 HH11 ARG A 66 114.024 4.279 -10.633 1.00 0.00 H new ATOM 0 HH12 ARG A 66 112.930 3.017 -10.057 1.00 0.00 H new ATOM 0 HH21 ARG A 66 114.181 0.594 -12.248 1.00 0.00 H new ATOM 0 HH22 ARG A 66 113.018 0.946 -10.965 1.00 0.00 H new ATOM 1096 N GLY A 67 120.650 6.599 -10.220 1.00 0.00 N ATOM 1097 CA GLY A 67 121.310 7.916 -9.945 1.00 0.00 C ATOM 1098 C GLY A 67 121.257 8.263 -8.454 1.00 0.00 C ATOM 1099 O GLY A 67 121.818 9.255 -8.035 1.00 0.00 O ATOM 0 H GLY A 67 121.241 5.780 -10.078 1.00 0.00 H new ATOM 0 HA2 GLY A 67 122.348 7.881 -10.276 1.00 0.00 H new ATOM 0 HA3 GLY A 67 120.818 8.700 -10.521 1.00 0.00 H new ATOM 1103 N GLY A 68 120.604 7.459 -7.643 1.00 0.00 N ATOM 1104 CA GLY A 68 120.540 7.757 -6.171 1.00 0.00 C ATOM 1105 C GLY A 68 119.090 7.863 -5.708 1.00 0.00 C ATOM 1106 O GLY A 68 118.207 8.213 -6.466 1.00 0.00 O ATOM 0 H GLY A 68 120.115 6.613 -7.935 1.00 0.00 H new ATOM 0 HA2 GLY A 68 121.049 6.971 -5.613 1.00 0.00 H new ATOM 0 HA3 GLY A 68 121.064 8.689 -5.960 1.00 0.00 H new ATOM 1110 N LEU A 69 118.837 7.574 -4.457 1.00 0.00 N ATOM 1111 CA LEU A 69 117.444 7.672 -3.945 1.00 0.00 C ATOM 1112 C LEU A 69 116.932 9.109 -4.101 1.00 0.00 C ATOM 1113 O LEU A 69 115.808 9.329 -4.507 1.00 0.00 O ATOM 1114 CB LEU A 69 117.397 7.270 -2.463 1.00 0.00 C ATOM 1115 CG LEU A 69 115.979 7.493 -1.896 1.00 0.00 C ATOM 1116 CD1 LEU A 69 114.935 6.795 -2.785 1.00 0.00 C ATOM 1117 CD2 LEU A 69 115.898 6.916 -0.472 1.00 0.00 C ATOM 0 H LEU A 69 119.533 7.276 -3.774 1.00 0.00 H new ATOM 0 HA LEU A 69 116.810 6.997 -4.520 1.00 0.00 H new ATOM 0 HB2 LEU A 69 117.680 6.223 -2.353 1.00 0.00 H new ATOM 0 HB3 LEU A 69 118.120 7.857 -1.896 1.00 0.00 H new ATOM 0 HG LEU A 69 115.773 8.563 -1.874 1.00 0.00 H new ATOM 0 HD11 LEU A 69 113.939 6.960 -2.374 1.00 0.00 H new ATOM 0 HD12 LEU A 69 114.984 7.205 -3.794 1.00 0.00 H new ATOM 0 HD13 LEU A 69 115.142 5.725 -2.817 1.00 0.00 H new ATOM 0 HD21 LEU A 69 114.896 7.074 -0.072 1.00 0.00 H new ATOM 0 HD22 LEU A 69 116.114 5.848 -0.499 1.00 0.00 H new ATOM 0 HD23 LEU A 69 116.626 7.417 0.166 1.00 0.00 H new ATOM 1129 N VAL A 70 117.735 10.092 -3.775 1.00 0.00 N ATOM 1130 CA VAL A 70 117.256 11.498 -3.905 1.00 0.00 C ATOM 1131 C VAL A 70 116.893 11.757 -5.364 1.00 0.00 C ATOM 1132 O VAL A 70 115.891 12.376 -5.660 1.00 0.00 O ATOM 1133 CB VAL A 70 118.354 12.482 -3.469 1.00 0.00 C ATOM 1134 CG1 VAL A 70 117.782 13.909 -3.419 1.00 0.00 C ATOM 1135 CG2 VAL A 70 118.883 12.095 -2.079 1.00 0.00 C ATOM 0 H VAL A 70 118.688 9.982 -3.429 1.00 0.00 H new ATOM 0 HA VAL A 70 116.385 11.643 -3.266 1.00 0.00 H new ATOM 0 HB VAL A 70 119.171 12.442 -4.189 1.00 0.00 H new ATOM 0 HG11 VAL A 70 118.563 14.603 -3.110 1.00 0.00 H new ATOM 0 HG12 VAL A 70 117.417 14.190 -4.407 1.00 0.00 H new ATOM 0 HG13 VAL A 70 116.959 13.946 -2.705 1.00 0.00 H new ATOM 0 HG21 VAL A 70 119.660 12.797 -1.777 1.00 0.00 H new ATOM 0 HG22 VAL A 70 118.067 12.126 -1.357 1.00 0.00 H new ATOM 0 HG23 VAL A 70 119.298 11.088 -2.115 1.00 0.00 H new ATOM 1145 N ASP A 71 117.683 11.275 -6.283 1.00 0.00 N ATOM 1146 CA ASP A 71 117.344 11.492 -7.712 1.00 0.00 C ATOM 1147 C ASP A 71 116.034 10.765 -8.013 1.00 0.00 C ATOM 1148 O ASP A 71 115.178 11.266 -8.714 1.00 0.00 O ATOM 1149 CB ASP A 71 118.470 10.954 -8.598 1.00 0.00 C ATOM 1150 CG ASP A 71 119.690 11.869 -8.469 1.00 0.00 C ATOM 1151 OD1 ASP A 71 119.511 13.075 -8.540 1.00 0.00 O ATOM 1152 OD2 ASP A 71 120.781 11.353 -8.305 1.00 0.00 O ATOM 0 H ASP A 71 118.538 10.747 -6.107 1.00 0.00 H new ATOM 0 HA ASP A 71 117.227 12.556 -7.916 1.00 0.00 H new ATOM 0 HB2 ASP A 71 118.729 9.938 -8.301 1.00 0.00 H new ATOM 0 HB3 ASP A 71 118.142 10.909 -9.637 1.00 0.00 H new ATOM 1157 N VAL A 72 115.866 9.590 -7.469 1.00 0.00 N ATOM 1158 CA VAL A 72 114.606 8.831 -7.701 1.00 0.00 C ATOM 1159 C VAL A 72 113.413 9.637 -7.173 1.00 0.00 C ATOM 1160 O VAL A 72 112.430 9.826 -7.862 1.00 0.00 O ATOM 1161 CB VAL A 72 114.697 7.482 -6.975 1.00 0.00 C ATOM 1162 CG1 VAL A 72 113.318 6.801 -6.929 1.00 0.00 C ATOM 1163 CG2 VAL A 72 115.687 6.585 -7.724 1.00 0.00 C ATOM 0 H VAL A 72 116.549 9.123 -6.873 1.00 0.00 H new ATOM 0 HA VAL A 72 114.466 8.660 -8.768 1.00 0.00 H new ATOM 0 HB VAL A 72 115.036 7.646 -5.952 1.00 0.00 H new ATOM 0 HG11 VAL A 72 113.401 5.846 -6.411 1.00 0.00 H new ATOM 0 HG12 VAL A 72 112.613 7.442 -6.399 1.00 0.00 H new ATOM 0 HG13 VAL A 72 112.961 6.633 -7.945 1.00 0.00 H new ATOM 0 HG21 VAL A 72 115.761 5.623 -7.218 1.00 0.00 H new ATOM 0 HG22 VAL A 72 115.339 6.432 -8.745 1.00 0.00 H new ATOM 0 HG23 VAL A 72 116.667 7.061 -7.743 1.00 0.00 H new ATOM 1173 N ILE A 73 113.484 10.111 -5.957 1.00 0.00 N ATOM 1174 CA ILE A 73 112.343 10.898 -5.405 1.00 0.00 C ATOM 1175 C ILE A 73 112.118 12.146 -6.261 1.00 0.00 C ATOM 1176 O ILE A 73 111.017 12.426 -6.692 1.00 0.00 O ATOM 1177 CB ILE A 73 112.666 11.324 -3.972 1.00 0.00 C ATOM 1178 CG1 ILE A 73 112.784 10.086 -3.081 1.00 0.00 C ATOM 1179 CG2 ILE A 73 111.546 12.222 -3.443 1.00 0.00 C ATOM 1180 CD1 ILE A 73 113.381 10.486 -1.730 1.00 0.00 C ATOM 0 H ILE A 73 114.276 9.988 -5.327 1.00 0.00 H new ATOM 0 HA ILE A 73 111.443 10.283 -5.413 1.00 0.00 H new ATOM 0 HB ILE A 73 113.610 11.870 -3.962 1.00 0.00 H new ATOM 0 HG12 ILE A 73 111.803 9.633 -2.938 1.00 0.00 H new ATOM 0 HG13 ILE A 73 113.414 9.337 -3.562 1.00 0.00 H new ATOM 0 HG21 ILE A 73 111.775 12.526 -2.422 1.00 0.00 H new ATOM 0 HG22 ILE A 73 111.460 13.106 -4.074 1.00 0.00 H new ATOM 0 HG23 ILE A 73 110.604 11.674 -3.456 1.00 0.00 H new ATOM 0 HD11 ILE A 73 113.466 9.605 -1.094 1.00 0.00 H new ATOM 0 HD12 ILE A 73 114.369 10.919 -1.883 1.00 0.00 H new ATOM 0 HD13 ILE A 73 112.734 11.219 -1.249 1.00 0.00 H new ATOM 1192 N ASN A 74 113.156 12.898 -6.511 1.00 0.00 N ATOM 1193 CA ASN A 74 113.009 14.128 -7.339 1.00 0.00 C ATOM 1194 C ASN A 74 112.489 13.748 -8.728 1.00 0.00 C ATOM 1195 O ASN A 74 111.617 14.394 -9.275 1.00 0.00 O ATOM 1196 CB ASN A 74 114.365 14.826 -7.457 1.00 0.00 C ATOM 1197 CG ASN A 74 114.220 16.090 -8.306 1.00 0.00 C ATOM 1198 OD1 ASN A 74 113.162 16.361 -8.838 1.00 0.00 O ATOM 1199 ND2 ASN A 74 115.246 16.884 -8.452 1.00 0.00 N ATOM 0 H ASN A 74 114.101 12.712 -6.176 1.00 0.00 H new ATOM 0 HA ASN A 74 112.299 14.807 -6.867 1.00 0.00 H new ATOM 0 HB2 ASN A 74 114.741 15.082 -6.466 1.00 0.00 H new ATOM 0 HB3 ASN A 74 115.093 14.153 -7.910 1.00 0.00 H new ATOM 0 HD21 ASN A 74 115.159 17.732 -9.013 1.00 0.00 H new ATOM 0 HD22 ASN A 74 116.134 16.657 -8.005 1.00 0.00 H new ATOM 1206 N LYS A 75 113.014 12.696 -9.300 1.00 0.00 N ATOM 1207 CA LYS A 75 112.546 12.267 -10.649 1.00 0.00 C ATOM 1208 C LYS A 75 111.213 11.531 -10.496 1.00 0.00 C ATOM 1209 O LYS A 75 110.498 11.306 -11.452 1.00 0.00 O ATOM 1210 CB LYS A 75 113.588 11.330 -11.281 1.00 0.00 C ATOM 1211 CG LYS A 75 114.892 12.098 -11.576 1.00 0.00 C ATOM 1212 CD LYS A 75 114.796 12.840 -12.931 1.00 0.00 C ATOM 1213 CE LYS A 75 115.311 11.942 -14.064 1.00 0.00 C ATOM 1214 NZ LYS A 75 115.115 12.633 -15.372 1.00 0.00 N ATOM 0 H LYS A 75 113.746 12.116 -8.890 1.00 0.00 H new ATOM 0 HA LYS A 75 112.415 13.137 -11.292 1.00 0.00 H new ATOM 0 HB2 LYS A 75 113.793 10.497 -10.608 1.00 0.00 H new ATOM 0 HB3 LYS A 75 113.192 10.905 -12.203 1.00 0.00 H new ATOM 0 HG2 LYS A 75 115.087 12.813 -10.777 1.00 0.00 H new ATOM 0 HG3 LYS A 75 115.732 11.404 -11.595 1.00 0.00 H new ATOM 0 HD2 LYS A 75 113.762 13.126 -13.125 1.00 0.00 H new ATOM 0 HD3 LYS A 75 115.379 13.760 -12.892 1.00 0.00 H new ATOM 0 HE2 LYS A 75 116.367 11.717 -13.913 1.00 0.00 H new ATOM 0 HE3 LYS A 75 114.779 10.991 -14.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 115.464 12.026 -16.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 114.103 12.826 -15.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 115.642 13.530 -15.373 1.00 0.00 H new ATOM 1228 N LYS A 76 110.878 11.160 -9.289 1.00 0.00 N ATOM 1229 CA LYS A 76 109.593 10.442 -9.045 1.00 0.00 C ATOM 1230 C LYS A 76 109.574 9.134 -9.841 1.00 0.00 C ATOM 1231 O LYS A 76 108.625 8.835 -10.540 1.00 0.00 O ATOM 1232 CB LYS A 76 108.416 11.327 -9.476 1.00 0.00 C ATOM 1233 CG LYS A 76 107.123 10.797 -8.849 1.00 0.00 C ATOM 1234 CD LYS A 76 105.944 11.675 -9.274 1.00 0.00 C ATOM 1235 CE LYS A 76 104.661 11.148 -8.629 1.00 0.00 C ATOM 1236 NZ LYS A 76 103.518 12.029 -9.000 1.00 0.00 N ATOM 0 H LYS A 76 111.443 11.325 -8.456 1.00 0.00 H new ATOM 0 HA LYS A 76 109.503 10.217 -7.982 1.00 0.00 H new ATOM 0 HB2 LYS A 76 108.588 12.357 -9.164 1.00 0.00 H new ATOM 0 HB3 LYS A 76 108.330 11.333 -10.563 1.00 0.00 H new ATOM 0 HG2 LYS A 76 106.952 9.767 -9.161 1.00 0.00 H new ATOM 0 HG3 LYS A 76 107.211 10.791 -7.763 1.00 0.00 H new ATOM 0 HD2 LYS A 76 106.118 12.708 -8.973 1.00 0.00 H new ATOM 0 HD3 LYS A 76 105.846 11.672 -10.360 1.00 0.00 H new ATOM 0 HE2 LYS A 76 104.469 10.127 -8.959 1.00 0.00 H new ATOM 0 HE3 LYS A 76 104.773 11.117 -7.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 102.646 11.670 -8.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 103.702 12.996 -8.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 103.407 12.037 -10.034 1.00 0.00 H new ATOM 1250 N LEU A 77 110.614 8.347 -9.735 1.00 0.00 N ATOM 1251 CA LEU A 77 110.666 7.049 -10.476 1.00 0.00 C ATOM 1252 C LEU A 77 110.233 5.917 -9.542 1.00 0.00 C ATOM 1253 O LEU A 77 110.546 4.763 -9.761 1.00 0.00 O ATOM 1254 CB LEU A 77 112.090 6.791 -10.980 1.00 0.00 C ATOM 1255 CG LEU A 77 112.515 7.908 -11.941 1.00 0.00 C ATOM 1256 CD1 LEU A 77 113.993 7.732 -12.297 1.00 0.00 C ATOM 1257 CD2 LEU A 77 111.666 7.857 -13.226 1.00 0.00 C ATOM 0 H LEU A 77 111.435 8.548 -9.164 1.00 0.00 H new ATOM 0 HA LEU A 77 109.992 7.093 -11.332 1.00 0.00 H new ATOM 0 HB2 LEU A 77 112.780 6.742 -10.137 1.00 0.00 H new ATOM 0 HB3 LEU A 77 112.137 5.827 -11.486 1.00 0.00 H new ATOM 0 HG LEU A 77 112.363 8.873 -11.457 1.00 0.00 H new ATOM 0 HD11 LEU A 77 114.300 8.524 -12.980 1.00 0.00 H new ATOM 0 HD12 LEU A 77 114.594 7.783 -11.389 1.00 0.00 H new ATOM 0 HD13 LEU A 77 114.139 6.764 -12.775 1.00 0.00 H new ATOM 0 HD21 LEU A 77 111.978 8.655 -13.900 1.00 0.00 H new ATOM 0 HD22 LEU A 77 111.805 6.893 -13.716 1.00 0.00 H new ATOM 0 HD23 LEU A 77 110.614 7.986 -12.972 1.00 0.00 H new ATOM 1269 N TRP A 78 109.498 6.237 -8.509 1.00 0.00 N ATOM 1270 CA TRP A 78 109.027 5.178 -7.572 1.00 0.00 C ATOM 1271 C TRP A 78 108.208 4.162 -8.370 1.00 0.00 C ATOM 1272 O TRP A 78 108.177 2.988 -8.058 1.00 0.00 O ATOM 1273 CB TRP A 78 108.132 5.800 -6.487 1.00 0.00 C ATOM 1274 CG TRP A 78 108.961 6.433 -5.414 1.00 0.00 C ATOM 1275 CD1 TRP A 78 108.960 7.752 -5.108 1.00 0.00 C ATOM 1276 CD2 TRP A 78 109.897 5.801 -4.492 1.00 0.00 C ATOM 1277 NE1 TRP A 78 109.831 7.967 -4.054 1.00 0.00 N ATOM 1278 CE2 TRP A 78 110.435 6.796 -3.643 1.00 0.00 C ATOM 1279 CE3 TRP A 78 110.327 4.474 -4.313 1.00 0.00 C ATOM 1280 CZ2 TRP A 78 111.364 6.487 -2.649 1.00 0.00 C ATOM 1281 CZ3 TRP A 78 111.263 4.158 -3.314 1.00 0.00 C ATOM 1282 CH2 TRP A 78 111.781 5.164 -2.485 1.00 0.00 C ATOM 0 H TRP A 78 109.204 7.185 -8.275 1.00 0.00 H new ATOM 0 HA TRP A 78 109.882 4.697 -7.097 1.00 0.00 H new ATOM 0 HB2 TRP A 78 107.476 6.547 -6.934 1.00 0.00 H new ATOM 0 HB3 TRP A 78 107.492 5.032 -6.053 1.00 0.00 H new ATOM 0 HD1 TRP A 78 108.375 8.512 -5.605 1.00 0.00 H new ATOM 0 HE1 TRP A 78 110.005 8.879 -3.633 1.00 0.00 H new ATOM 0 HE3 TRP A 78 109.935 3.693 -4.948 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 111.758 7.265 -2.011 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 111.585 3.135 -3.184 1.00 0.00 H new ATOM 0 HH2 TRP A 78 112.502 4.916 -1.720 1.00 0.00 H new ATOM 1293 N GLN A 79 107.539 4.612 -9.392 1.00 0.00 N ATOM 1294 CA GLN A 79 106.712 3.684 -10.210 1.00 0.00 C ATOM 1295 C GLN A 79 107.602 2.591 -10.807 1.00 0.00 C ATOM 1296 O GLN A 79 107.221 1.440 -10.870 1.00 0.00 O ATOM 1297 CB GLN A 79 106.046 4.477 -11.340 1.00 0.00 C ATOM 1298 CG GLN A 79 105.052 3.585 -12.089 1.00 0.00 C ATOM 1299 CD GLN A 79 103.851 3.296 -11.190 1.00 0.00 C ATOM 1300 OE1 GLN A 79 103.372 2.182 -11.133 1.00 0.00 O ATOM 1301 NE2 GLN A 79 103.338 4.264 -10.479 1.00 0.00 N ATOM 0 H GLN A 79 107.529 5.585 -9.697 1.00 0.00 H new ATOM 0 HA GLN A 79 105.950 3.221 -9.583 1.00 0.00 H new ATOM 0 HB2 GLN A 79 105.531 5.346 -10.931 1.00 0.00 H new ATOM 0 HB3 GLN A 79 106.803 4.850 -12.029 1.00 0.00 H new ATOM 0 HG2 GLN A 79 104.724 4.076 -13.005 1.00 0.00 H new ATOM 0 HG3 GLN A 79 105.533 2.652 -12.382 1.00 0.00 H new ATOM 0 HE21 GLN A 79 103.740 5.200 -10.527 1.00 0.00 H new ATOM 0 HE22 GLN A 79 102.535 4.084 -9.876 1.00 0.00 H new ATOM 1310 N GLU A 80 108.780 2.934 -11.253 1.00 0.00 N ATOM 1311 CA GLU A 80 109.671 1.896 -11.848 1.00 0.00 C ATOM 1312 C GLU A 80 110.004 0.825 -10.803 1.00 0.00 C ATOM 1313 O GLU A 80 109.939 -0.357 -11.079 1.00 0.00 O ATOM 1314 CB GLU A 80 110.963 2.547 -12.349 1.00 0.00 C ATOM 1315 CG GLU A 80 110.665 3.411 -13.578 1.00 0.00 C ATOM 1316 CD GLU A 80 110.273 2.513 -14.755 1.00 0.00 C ATOM 1317 OE1 GLU A 80 110.958 1.530 -14.979 1.00 0.00 O ATOM 1318 OE2 GLU A 80 109.294 2.827 -15.412 1.00 0.00 O ATOM 0 H GLU A 80 109.162 3.880 -11.232 1.00 0.00 H new ATOM 0 HA GLU A 80 109.155 1.426 -12.686 1.00 0.00 H new ATOM 0 HB2 GLU A 80 111.402 3.159 -11.561 1.00 0.00 H new ATOM 0 HB3 GLU A 80 111.694 1.779 -12.601 1.00 0.00 H new ATOM 0 HG2 GLU A 80 109.859 4.110 -13.357 1.00 0.00 H new ATOM 0 HG3 GLU A 80 111.541 4.006 -13.838 1.00 0.00 H new ATOM 1325 N ILE A 81 110.360 1.216 -9.605 1.00 0.00 N ATOM 1326 CA ILE A 81 110.688 0.197 -8.567 1.00 0.00 C ATOM 1327 C ILE A 81 109.407 -0.532 -8.144 1.00 0.00 C ATOM 1328 O ILE A 81 109.397 -1.734 -7.966 1.00 0.00 O ATOM 1329 CB ILE A 81 111.330 0.885 -7.351 1.00 0.00 C ATOM 1330 CG1 ILE A 81 112.733 1.383 -7.729 1.00 0.00 C ATOM 1331 CG2 ILE A 81 111.442 -0.110 -6.191 1.00 0.00 C ATOM 1332 CD1 ILE A 81 113.222 2.396 -6.689 1.00 0.00 C ATOM 0 H ILE A 81 110.437 2.188 -9.305 1.00 0.00 H new ATOM 0 HA ILE A 81 111.393 -0.527 -8.976 1.00 0.00 H new ATOM 0 HB ILE A 81 110.709 1.728 -7.046 1.00 0.00 H new ATOM 0 HG12 ILE A 81 113.425 0.542 -7.784 1.00 0.00 H new ATOM 0 HG13 ILE A 81 112.712 1.844 -8.717 1.00 0.00 H new ATOM 0 HG21 ILE A 81 111.898 0.382 -5.332 1.00 0.00 H new ATOM 0 HG22 ILE A 81 110.448 -0.466 -5.920 1.00 0.00 H new ATOM 0 HG23 ILE A 81 112.060 -0.955 -6.495 1.00 0.00 H new ATOM 0 HD11 ILE A 81 114.218 2.746 -6.962 1.00 0.00 H new ATOM 0 HD12 ILE A 81 112.536 3.243 -6.655 1.00 0.00 H new ATOM 0 HD13 ILE A 81 113.261 1.921 -5.709 1.00 0.00 H new ATOM 1344 N ILE A 82 108.328 0.184 -7.987 1.00 0.00 N ATOM 1345 CA ILE A 82 107.053 -0.472 -7.581 1.00 0.00 C ATOM 1346 C ILE A 82 106.595 -1.432 -8.682 1.00 0.00 C ATOM 1347 O ILE A 82 106.160 -2.534 -8.412 1.00 0.00 O ATOM 1348 CB ILE A 82 105.989 0.602 -7.351 1.00 0.00 C ATOM 1349 CG1 ILE A 82 106.381 1.430 -6.123 1.00 0.00 C ATOM 1350 CG2 ILE A 82 104.629 -0.059 -7.106 1.00 0.00 C ATOM 1351 CD1 ILE A 82 105.482 2.662 -6.010 1.00 0.00 C ATOM 0 H ILE A 82 108.274 1.194 -8.122 1.00 0.00 H new ATOM 0 HA ILE A 82 107.205 -1.036 -6.661 1.00 0.00 H new ATOM 0 HB ILE A 82 105.920 1.244 -8.229 1.00 0.00 H new ATOM 0 HG12 ILE A 82 106.293 0.823 -5.222 1.00 0.00 H new ATOM 0 HG13 ILE A 82 107.424 1.737 -6.200 1.00 0.00 H new ATOM 0 HG21 ILE A 82 103.875 0.711 -6.943 1.00 0.00 H new ATOM 0 HG22 ILE A 82 104.354 -0.658 -7.974 1.00 0.00 H new ATOM 0 HG23 ILE A 82 104.689 -0.700 -6.227 1.00 0.00 H new ATOM 0 HD11 ILE A 82 105.770 3.243 -5.134 1.00 0.00 H new ATOM 0 HD12 ILE A 82 105.591 3.276 -6.904 1.00 0.00 H new ATOM 0 HD13 ILE A 82 104.443 2.347 -5.911 1.00 0.00 H new ATOM 1363 N LYS A 83 106.691 -1.027 -9.919 1.00 0.00 N ATOM 1364 CA LYS A 83 106.259 -1.928 -11.023 1.00 0.00 C ATOM 1365 C LYS A 83 107.096 -3.208 -10.969 1.00 0.00 C ATOM 1366 O LYS A 83 106.593 -4.299 -11.154 1.00 0.00 O ATOM 1367 CB LYS A 83 106.455 -1.228 -12.373 1.00 0.00 C ATOM 1368 CG LYS A 83 105.810 -2.070 -13.482 1.00 0.00 C ATOM 1369 CD LYS A 83 106.009 -1.396 -14.859 1.00 0.00 C ATOM 1370 CE LYS A 83 104.872 -0.404 -15.156 1.00 0.00 C ATOM 1371 NZ LYS A 83 104.973 0.776 -14.252 1.00 0.00 N ATOM 0 H LYS A 83 107.048 -0.117 -10.211 1.00 0.00 H new ATOM 0 HA LYS A 83 105.203 -2.174 -10.909 1.00 0.00 H new ATOM 0 HB2 LYS A 83 106.007 -0.235 -12.348 1.00 0.00 H new ATOM 0 HB3 LYS A 83 107.518 -1.094 -12.575 1.00 0.00 H new ATOM 0 HG2 LYS A 83 106.250 -3.067 -13.492 1.00 0.00 H new ATOM 0 HG3 LYS A 83 104.746 -2.193 -13.281 1.00 0.00 H new ATOM 0 HD2 LYS A 83 106.966 -0.874 -14.878 1.00 0.00 H new ATOM 0 HD3 LYS A 83 106.046 -2.157 -15.639 1.00 0.00 H new ATOM 0 HE2 LYS A 83 104.923 -0.081 -16.196 1.00 0.00 H new ATOM 0 HE3 LYS A 83 103.907 -0.893 -15.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 104.576 1.612 -14.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 104.442 0.590 -13.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 105.972 0.951 -14.020 1.00 0.00 H new ATOM 1385 N GLY A 84 108.369 -3.088 -10.699 1.00 0.00 N ATOM 1386 CA GLY A 84 109.230 -4.302 -10.611 1.00 0.00 C ATOM 1387 C GLY A 84 108.752 -5.155 -9.437 1.00 0.00 C ATOM 1388 O GLY A 84 108.679 -6.365 -9.517 1.00 0.00 O ATOM 0 H GLY A 84 108.849 -2.203 -10.536 1.00 0.00 H new ATOM 0 HA2 GLY A 84 109.177 -4.872 -11.539 1.00 0.00 H new ATOM 0 HA3 GLY A 84 110.273 -4.017 -10.472 1.00 0.00 H new ATOM 1392 N LEU A 85 108.413 -4.519 -8.346 1.00 0.00 N ATOM 1393 CA LEU A 85 107.917 -5.256 -7.145 1.00 0.00 C ATOM 1394 C LEU A 85 106.398 -5.106 -7.084 1.00 0.00 C ATOM 1395 O LEU A 85 105.858 -4.617 -6.111 1.00 0.00 O ATOM 1396 CB LEU A 85 108.526 -4.653 -5.874 1.00 0.00 C ATOM 1397 CG LEU A 85 110.057 -4.672 -5.953 1.00 0.00 C ATOM 1398 CD1 LEU A 85 110.627 -4.035 -4.683 1.00 0.00 C ATOM 1399 CD2 LEU A 85 110.562 -6.119 -6.070 1.00 0.00 C ATOM 0 H LEU A 85 108.459 -3.506 -8.235 1.00 0.00 H new ATOM 0 HA LEU A 85 108.200 -6.306 -7.214 1.00 0.00 H new ATOM 0 HB2 LEU A 85 108.175 -3.629 -5.746 1.00 0.00 H new ATOM 0 HB3 LEU A 85 108.194 -5.216 -5.002 1.00 0.00 H new ATOM 0 HG LEU A 85 110.382 -4.113 -6.831 1.00 0.00 H new ATOM 0 HD11 LEU A 85 111.716 -4.043 -4.729 1.00 0.00 H new ATOM 0 HD12 LEU A 85 110.275 -3.006 -4.602 1.00 0.00 H new ATOM 0 HD13 LEU A 85 110.296 -4.601 -3.812 1.00 0.00 H new ATOM 0 HD21 LEU A 85 111.651 -6.121 -6.125 1.00 0.00 H new ATOM 0 HD22 LEU A 85 110.242 -6.688 -5.197 1.00 0.00 H new ATOM 0 HD23 LEU A 85 110.152 -6.576 -6.971 1.00 0.00 H new ATOM 1411 N HIS A 86 105.709 -5.498 -8.128 1.00 0.00 N ATOM 1412 CA HIS A 86 104.220 -5.359 -8.157 1.00 0.00 C ATOM 1413 C HIS A 86 103.627 -5.706 -6.789 1.00 0.00 C ATOM 1414 O HIS A 86 104.173 -6.493 -6.040 1.00 0.00 O ATOM 1415 CB HIS A 86 103.640 -6.297 -9.221 1.00 0.00 C ATOM 1416 CG HIS A 86 103.869 -5.712 -10.587 1.00 0.00 C ATOM 1417 ND1 HIS A 86 104.561 -6.390 -11.577 1.00 0.00 N ATOM 1418 CD2 HIS A 86 103.504 -4.509 -11.140 1.00 0.00 C ATOM 1419 CE1 HIS A 86 104.592 -5.597 -12.664 1.00 0.00 C ATOM 1420 NE2 HIS A 86 103.963 -4.438 -12.452 1.00 0.00 N ATOM 0 H HIS A 86 106.117 -5.911 -8.967 1.00 0.00 H new ATOM 0 HA HIS A 86 103.966 -4.327 -8.399 1.00 0.00 H new ATOM 0 HB2 HIS A 86 104.110 -7.278 -9.151 1.00 0.00 H new ATOM 0 HB3 HIS A 86 102.573 -6.442 -9.050 1.00 0.00 H new ATOM 0 HD1 HIS A 86 104.972 -7.320 -11.497 1.00 0.00 H new ATOM 0 HD2 HIS A 86 102.946 -3.736 -10.634 1.00 0.00 H new ATOM 0 HE1 HIS A 86 105.068 -5.865 -13.595 1.00 0.00 H new ATOM 1428 N LEU A 87 102.524 -5.101 -6.457 1.00 0.00 N ATOM 1429 CA LEU A 87 101.897 -5.358 -5.140 1.00 0.00 C ATOM 1430 C LEU A 87 101.325 -6.790 -5.129 1.00 0.00 C ATOM 1431 O LEU A 87 100.566 -7.141 -6.010 1.00 0.00 O ATOM 1432 CB LEU A 87 100.748 -4.360 -4.940 1.00 0.00 C ATOM 1433 CG LEU A 87 101.302 -2.976 -4.567 1.00 0.00 C ATOM 1434 CD1 LEU A 87 102.410 -2.565 -5.543 1.00 0.00 C ATOM 1435 CD2 LEU A 87 100.170 -1.942 -4.628 1.00 0.00 C ATOM 0 H LEU A 87 102.028 -4.434 -7.049 1.00 0.00 H new ATOM 0 HA LEU A 87 102.634 -5.247 -4.344 1.00 0.00 H new ATOM 0 HB2 LEU A 87 100.157 -4.288 -5.853 1.00 0.00 H new ATOM 0 HB3 LEU A 87 100.081 -4.716 -4.155 1.00 0.00 H new ATOM 0 HG LEU A 87 101.714 -3.021 -3.559 1.00 0.00 H new ATOM 0 HD11 LEU A 87 102.793 -1.583 -5.266 1.00 0.00 H new ATOM 0 HD12 LEU A 87 103.219 -3.294 -5.503 1.00 0.00 H new ATOM 0 HD13 LEU A 87 102.007 -2.525 -6.555 1.00 0.00 H new ATOM 0 HD21 LEU A 87 100.560 -0.959 -4.364 1.00 0.00 H new ATOM 0 HD22 LEU A 87 99.760 -1.910 -5.638 1.00 0.00 H new ATOM 0 HD23 LEU A 87 99.384 -2.221 -3.926 1.00 0.00 H new ATOM 1447 N PRO A 88 101.648 -7.623 -4.154 1.00 0.00 N ATOM 1448 CA PRO A 88 101.078 -8.996 -4.138 1.00 0.00 C ATOM 1449 C PRO A 88 99.545 -8.947 -4.095 1.00 0.00 C ATOM 1450 O PRO A 88 98.880 -9.121 -5.097 1.00 0.00 O ATOM 1451 CB PRO A 88 101.680 -9.608 -2.852 1.00 0.00 C ATOM 1452 CG PRO A 88 102.578 -8.550 -2.177 1.00 0.00 C ATOM 1453 CD PRO A 88 102.573 -7.275 -3.035 1.00 0.00 C ATOM 0 HA PRO A 88 101.315 -9.582 -5.026 1.00 0.00 H new ATOM 0 HB2 PRO A 88 100.886 -9.919 -2.173 1.00 0.00 H new ATOM 0 HB3 PRO A 88 102.260 -10.499 -3.093 1.00 0.00 H new ATOM 0 HG2 PRO A 88 102.214 -8.331 -1.173 1.00 0.00 H new ATOM 0 HG3 PRO A 88 103.594 -8.930 -2.071 1.00 0.00 H new ATOM 0 HD2 PRO A 88 102.218 -6.412 -2.472 1.00 0.00 H new ATOM 0 HD3 PRO A 88 103.571 -7.030 -3.398 1.00 0.00 H new ATOM 1461 N SER A 89 98.987 -8.694 -2.945 1.00 0.00 N ATOM 1462 CA SER A 89 97.506 -8.611 -2.825 1.00 0.00 C ATOM 1463 C SER A 89 97.147 -8.172 -1.403 1.00 0.00 C ATOM 1464 O SER A 89 96.053 -8.407 -0.929 1.00 0.00 O ATOM 1465 CB SER A 89 96.886 -9.983 -3.113 1.00 0.00 C ATOM 1466 OG SER A 89 96.877 -10.210 -4.515 1.00 0.00 O ATOM 0 H SER A 89 99.498 -8.540 -2.076 1.00 0.00 H new ATOM 0 HA SER A 89 97.118 -7.889 -3.543 1.00 0.00 H new ATOM 0 HB2 SER A 89 97.455 -10.765 -2.610 1.00 0.00 H new ATOM 0 HB3 SER A 89 95.870 -10.025 -2.720 1.00 0.00 H new ATOM 0 HG SER A 89 97.414 -9.522 -4.961 1.00 0.00 H new ATOM 1472 N SER A 90 98.067 -7.541 -0.713 1.00 0.00 N ATOM 1473 CA SER A 90 97.785 -7.096 0.686 1.00 0.00 C ATOM 1474 C SER A 90 98.481 -5.759 0.969 1.00 0.00 C ATOM 1475 O SER A 90 98.338 -5.202 2.039 1.00 0.00 O ATOM 1476 CB SER A 90 98.302 -8.150 1.662 1.00 0.00 C ATOM 1477 OG SER A 90 97.612 -9.373 1.440 1.00 0.00 O ATOM 0 H SER A 90 99.000 -7.316 -1.059 1.00 0.00 H new ATOM 0 HA SER A 90 96.709 -6.969 0.809 1.00 0.00 H new ATOM 0 HB2 SER A 90 99.374 -8.294 1.526 1.00 0.00 H new ATOM 0 HB3 SER A 90 98.153 -7.816 2.689 1.00 0.00 H new ATOM 0 HG SER A 90 97.942 -10.053 2.064 1.00 0.00 H new ATOM 1483 N ILE A 91 99.226 -5.236 0.021 1.00 0.00 N ATOM 1484 CA ILE A 91 99.927 -3.928 0.235 1.00 0.00 C ATOM 1485 C ILE A 91 99.408 -2.928 -0.794 1.00 0.00 C ATOM 1486 O ILE A 91 99.530 -3.133 -1.984 1.00 0.00 O ATOM 1487 CB ILE A 91 101.437 -4.096 0.028 1.00 0.00 C ATOM 1488 CG1 ILE A 91 101.992 -5.122 1.019 1.00 0.00 C ATOM 1489 CG2 ILE A 91 102.134 -2.753 0.262 1.00 0.00 C ATOM 1490 CD1 ILE A 91 103.442 -5.447 0.649 1.00 0.00 C ATOM 0 H ILE A 91 99.379 -5.660 -0.894 1.00 0.00 H new ATOM 0 HA ILE A 91 99.738 -3.580 1.250 1.00 0.00 H new ATOM 0 HB ILE A 91 101.619 -4.440 -0.990 1.00 0.00 H new ATOM 0 HG12 ILE A 91 101.943 -4.728 2.034 1.00 0.00 H new ATOM 0 HG13 ILE A 91 101.387 -6.029 0.999 1.00 0.00 H new ATOM 0 HG21 ILE A 91 103.208 -2.870 0.115 1.00 0.00 H new ATOM 0 HG22 ILE A 91 101.750 -2.016 -0.443 1.00 0.00 H new ATOM 0 HG23 ILE A 91 101.941 -2.416 1.280 1.00 0.00 H new ATOM 0 HD11 ILE A 91 103.842 -6.178 1.352 1.00 0.00 H new ATOM 0 HD12 ILE A 91 103.477 -5.858 -0.360 1.00 0.00 H new ATOM 0 HD13 ILE A 91 104.041 -4.537 0.691 1.00 0.00 H new ATOM 1502 N THR A 92 98.834 -1.845 -0.338 1.00 0.00 N ATOM 1503 CA THR A 92 98.298 -0.804 -1.272 1.00 0.00 C ATOM 1504 C THR A 92 99.030 0.510 -1.008 1.00 0.00 C ATOM 1505 O THR A 92 98.496 1.585 -1.197 1.00 0.00 O ATOM 1506 CB THR A 92 96.795 -0.616 -1.020 1.00 0.00 C ATOM 1507 OG1 THR A 92 96.603 0.382 -0.027 1.00 0.00 O ATOM 1508 CG2 THR A 92 96.188 -1.936 -0.538 1.00 0.00 C ATOM 0 H THR A 92 98.711 -1.633 0.652 1.00 0.00 H new ATOM 0 HA THR A 92 98.450 -1.114 -2.306 1.00 0.00 H new ATOM 0 HB THR A 92 96.308 -0.308 -1.945 1.00 0.00 H new ATOM 0 HG1 THR A 92 96.922 1.245 -0.365 1.00 0.00 H new ATOM 0 HG21 THR A 92 95.121 -1.802 -0.359 1.00 0.00 H new ATOM 0 HG22 THR A 92 96.335 -2.703 -1.298 1.00 0.00 H new ATOM 0 HG23 THR A 92 96.675 -2.244 0.387 1.00 0.00 H new ATOM 1516 N SER A 93 100.254 0.423 -0.567 1.00 0.00 N ATOM 1517 CA SER A 93 101.044 1.651 -0.281 1.00 0.00 C ATOM 1518 C SER A 93 102.531 1.304 -0.354 1.00 0.00 C ATOM 1519 O SER A 93 103.311 1.670 0.502 1.00 0.00 O ATOM 1520 CB SER A 93 100.698 2.158 1.120 1.00 0.00 C ATOM 1521 OG SER A 93 101.155 3.497 1.260 1.00 0.00 O ATOM 0 H SER A 93 100.744 -0.454 -0.391 1.00 0.00 H new ATOM 0 HA SER A 93 100.812 2.428 -1.009 1.00 0.00 H new ATOM 0 HB2 SER A 93 99.621 2.110 1.281 1.00 0.00 H new ATOM 0 HB3 SER A 93 101.162 1.522 1.874 1.00 0.00 H new ATOM 0 HG SER A 93 100.934 3.826 2.156 1.00 0.00 H new ATOM 1527 N ALA A 94 102.922 0.584 -1.371 1.00 0.00 N ATOM 1528 CA ALA A 94 104.353 0.189 -1.508 1.00 0.00 C ATOM 1529 C ALA A 94 105.241 1.430 -1.625 1.00 0.00 C ATOM 1530 O ALA A 94 106.322 1.481 -1.074 1.00 0.00 O ATOM 1531 CB ALA A 94 104.521 -0.669 -2.763 1.00 0.00 C ATOM 0 H ALA A 94 102.309 0.251 -2.115 1.00 0.00 H new ATOM 0 HA ALA A 94 104.649 -0.376 -0.624 1.00 0.00 H new ATOM 0 HB1 ALA A 94 105.566 -0.960 -2.867 1.00 0.00 H new ATOM 0 HB2 ALA A 94 103.902 -1.562 -2.679 1.00 0.00 H new ATOM 0 HB3 ALA A 94 104.215 -0.097 -3.639 1.00 0.00 H new ATOM 1537 N ALA A 95 104.805 2.424 -2.346 1.00 0.00 N ATOM 1538 CA ALA A 95 105.643 3.647 -2.500 1.00 0.00 C ATOM 1539 C ALA A 95 105.960 4.228 -1.118 1.00 0.00 C ATOM 1540 O ALA A 95 107.106 4.415 -0.757 1.00 0.00 O ATOM 1541 CB ALA A 95 104.877 4.685 -3.340 1.00 0.00 C ATOM 0 H ALA A 95 103.909 2.444 -2.834 1.00 0.00 H new ATOM 0 HA ALA A 95 106.576 3.392 -3.003 1.00 0.00 H new ATOM 0 HB1 ALA A 95 105.487 5.581 -3.455 1.00 0.00 H new ATOM 0 HB2 ALA A 95 104.657 4.267 -4.322 1.00 0.00 H new ATOM 0 HB3 ALA A 95 103.944 4.942 -2.838 1.00 0.00 H new ATOM 1547 N PHE A 96 104.951 4.518 -0.350 1.00 0.00 N ATOM 1548 CA PHE A 96 105.179 5.095 1.003 1.00 0.00 C ATOM 1549 C PHE A 96 105.962 4.102 1.870 1.00 0.00 C ATOM 1550 O PHE A 96 106.830 4.476 2.632 1.00 0.00 O ATOM 1551 CB PHE A 96 103.831 5.384 1.665 1.00 0.00 C ATOM 1552 CG PHE A 96 104.060 6.083 2.982 1.00 0.00 C ATOM 1553 CD1 PHE A 96 104.248 5.336 4.151 1.00 0.00 C ATOM 1554 CD2 PHE A 96 104.091 7.482 3.032 1.00 0.00 C ATOM 1555 CE1 PHE A 96 104.465 5.990 5.371 1.00 0.00 C ATOM 1556 CE2 PHE A 96 104.309 8.135 4.250 1.00 0.00 C ATOM 1557 CZ PHE A 96 104.496 7.389 5.420 1.00 0.00 C ATOM 0 H PHE A 96 103.972 4.380 -0.601 1.00 0.00 H new ATOM 0 HA PHE A 96 105.750 6.018 0.906 1.00 0.00 H new ATOM 0 HB2 PHE A 96 103.219 6.006 1.012 1.00 0.00 H new ATOM 0 HB3 PHE A 96 103.285 4.454 1.824 1.00 0.00 H new ATOM 0 HD1 PHE A 96 104.226 4.257 4.112 1.00 0.00 H new ATOM 0 HD2 PHE A 96 103.947 8.057 2.130 1.00 0.00 H new ATOM 0 HE1 PHE A 96 104.608 5.415 6.274 1.00 0.00 H new ATOM 0 HE2 PHE A 96 104.333 9.214 4.288 1.00 0.00 H new ATOM 0 HZ PHE A 96 104.664 7.893 6.360 1.00 0.00 H new ATOM 1567 N THR A 97 105.644 2.840 1.780 1.00 0.00 N ATOM 1568 CA THR A 97 106.355 1.830 2.615 1.00 0.00 C ATOM 1569 C THR A 97 107.831 1.729 2.206 1.00 0.00 C ATOM 1570 O THR A 97 108.709 1.665 3.040 1.00 0.00 O ATOM 1571 CB THR A 97 105.683 0.466 2.442 1.00 0.00 C ATOM 1572 OG1 THR A 97 104.327 0.556 2.854 1.00 0.00 O ATOM 1573 CG2 THR A 97 106.409 -0.578 3.294 1.00 0.00 C ATOM 0 H THR A 97 104.923 2.464 1.165 1.00 0.00 H new ATOM 0 HA THR A 97 106.304 2.141 3.659 1.00 0.00 H new ATOM 0 HB THR A 97 105.728 0.168 1.394 1.00 0.00 H new ATOM 0 HG1 THR A 97 103.793 0.957 2.137 1.00 0.00 H new ATOM 0 HG21 THR A 97 105.928 -1.548 3.169 1.00 0.00 H new ATOM 0 HG22 THR A 97 107.450 -0.645 2.978 1.00 0.00 H new ATOM 0 HG23 THR A 97 106.367 -0.285 4.343 1.00 0.00 H new ATOM 1581 N LEU A 98 108.112 1.687 0.933 1.00 0.00 N ATOM 1582 CA LEU A 98 109.534 1.562 0.493 1.00 0.00 C ATOM 1583 C LEU A 98 110.350 2.796 0.911 1.00 0.00 C ATOM 1584 O LEU A 98 111.413 2.674 1.487 1.00 0.00 O ATOM 1585 CB LEU A 98 109.583 1.408 -1.035 1.00 0.00 C ATOM 1586 CG LEU A 98 109.101 0.002 -1.447 1.00 0.00 C ATOM 1587 CD1 LEU A 98 108.643 0.021 -2.910 1.00 0.00 C ATOM 1588 CD2 LEU A 98 110.243 -1.019 -1.306 1.00 0.00 C ATOM 0 H LEU A 98 107.425 1.733 0.181 1.00 0.00 H new ATOM 0 HA LEU A 98 109.969 0.684 0.971 1.00 0.00 H new ATOM 0 HB2 LEU A 98 108.956 2.167 -1.504 1.00 0.00 H new ATOM 0 HB3 LEU A 98 110.600 1.570 -1.391 1.00 0.00 H new ATOM 0 HG LEU A 98 108.274 -0.283 -0.796 1.00 0.00 H new ATOM 0 HD11 LEU A 98 108.303 -0.974 -3.198 1.00 0.00 H new ATOM 0 HD12 LEU A 98 107.825 0.732 -3.026 1.00 0.00 H new ATOM 0 HD13 LEU A 98 109.475 0.319 -3.548 1.00 0.00 H new ATOM 0 HD21 LEU A 98 109.887 -2.006 -1.600 1.00 0.00 H new ATOM 0 HD22 LEU A 98 111.074 -0.727 -1.948 1.00 0.00 H new ATOM 0 HD23 LEU A 98 110.579 -1.049 -0.269 1.00 0.00 H new ATOM 1600 N ARG A 99 109.884 3.980 0.609 1.00 0.00 N ATOM 1601 CA ARG A 99 110.665 5.201 0.977 1.00 0.00 C ATOM 1602 C ARG A 99 110.867 5.304 2.496 1.00 0.00 C ATOM 1603 O ARG A 99 111.917 5.701 2.957 1.00 0.00 O ATOM 1604 CB ARG A 99 109.950 6.458 0.457 1.00 0.00 C ATOM 1605 CG ARG A 99 108.652 6.694 1.232 1.00 0.00 C ATOM 1606 CD ARG A 99 107.901 7.876 0.618 1.00 0.00 C ATOM 1607 NE ARG A 99 107.426 7.511 -0.745 1.00 0.00 N ATOM 1608 CZ ARG A 99 106.907 8.422 -1.519 1.00 0.00 C ATOM 1609 NH1 ARG A 99 106.279 9.440 -0.996 1.00 0.00 N ATOM 1610 NH2 ARG A 99 107.015 8.316 -2.815 1.00 0.00 N ATOM 0 H ARG A 99 109.002 4.155 0.127 1.00 0.00 H new ATOM 0 HA ARG A 99 111.648 5.122 0.512 1.00 0.00 H new ATOM 0 HB2 ARG A 99 110.604 7.324 0.559 1.00 0.00 H new ATOM 0 HB3 ARG A 99 109.731 6.346 -0.605 1.00 0.00 H new ATOM 0 HG2 ARG A 99 108.030 5.799 1.203 1.00 0.00 H new ATOM 0 HG3 ARG A 99 108.873 6.894 2.280 1.00 0.00 H new ATOM 0 HD2 ARG A 99 107.055 8.149 1.248 1.00 0.00 H new ATOM 0 HD3 ARG A 99 108.554 8.747 0.566 1.00 0.00 H new ATOM 0 HE ARG A 99 107.507 6.548 -1.073 1.00 0.00 H new ATOM 0 HH11 ARG A 99 106.195 9.522 0.017 1.00 0.00 H new ATOM 0 HH12 ARG A 99 105.872 10.154 -1.601 1.00 0.00 H new ATOM 0 HH21 ARG A 99 107.506 7.520 -3.222 1.00 0.00 H new ATOM 0 HH22 ARG A 99 106.609 9.029 -3.421 1.00 0.00 H new ATOM 1624 N THR A 100 109.872 4.980 3.281 1.00 0.00 N ATOM 1625 CA THR A 100 110.036 5.103 4.761 1.00 0.00 C ATOM 1626 C THR A 100 110.957 3.999 5.300 1.00 0.00 C ATOM 1627 O THR A 100 111.839 4.254 6.096 1.00 0.00 O ATOM 1628 CB THR A 100 108.651 5.058 5.442 1.00 0.00 C ATOM 1629 OG1 THR A 100 108.691 5.837 6.629 1.00 0.00 O ATOM 1630 CG2 THR A 100 108.241 3.620 5.794 1.00 0.00 C ATOM 0 H THR A 100 108.963 4.640 2.967 1.00 0.00 H new ATOM 0 HA THR A 100 110.505 6.060 4.990 1.00 0.00 H new ATOM 0 HB THR A 100 107.915 5.459 4.745 1.00 0.00 H new ATOM 0 HG1 THR A 100 107.814 5.814 7.065 1.00 0.00 H new ATOM 0 HG21 THR A 100 107.261 3.628 6.272 1.00 0.00 H new ATOM 0 HG22 THR A 100 108.197 3.021 4.884 1.00 0.00 H new ATOM 0 HG23 THR A 100 108.974 3.189 6.476 1.00 0.00 H new ATOM 1638 N GLN A 101 110.763 2.778 4.882 1.00 0.00 N ATOM 1639 CA GLN A 101 111.635 1.682 5.389 1.00 0.00 C ATOM 1640 C GLN A 101 113.073 1.959 4.951 1.00 0.00 C ATOM 1641 O GLN A 101 114.019 1.803 5.706 1.00 0.00 O ATOM 1642 CB GLN A 101 111.167 0.351 4.798 1.00 0.00 C ATOM 1643 CG GLN A 101 109.819 -0.033 5.412 1.00 0.00 C ATOM 1644 CD GLN A 101 109.266 -1.270 4.701 1.00 0.00 C ATOM 1645 OE1 GLN A 101 109.518 -1.477 3.531 1.00 0.00 O ATOM 1646 NE2 GLN A 101 108.517 -2.107 5.365 1.00 0.00 N ATOM 0 H GLN A 101 110.044 2.494 4.217 1.00 0.00 H new ATOM 0 HA GLN A 101 111.582 1.632 6.477 1.00 0.00 H new ATOM 0 HB2 GLN A 101 111.075 0.434 3.715 1.00 0.00 H new ATOM 0 HB3 GLN A 101 111.904 -0.427 4.997 1.00 0.00 H new ATOM 0 HG2 GLN A 101 109.937 -0.235 6.477 1.00 0.00 H new ATOM 0 HG3 GLN A 101 109.117 0.796 5.321 1.00 0.00 H new ATOM 0 HE21 GLN A 101 108.305 -1.933 6.348 1.00 0.00 H new ATOM 0 HE22 GLN A 101 108.143 -2.935 4.902 1.00 0.00 H new ATOM 1655 N TYR A 102 113.235 2.383 3.730 1.00 0.00 N ATOM 1656 CA TYR A 102 114.591 2.688 3.215 1.00 0.00 C ATOM 1657 C TYR A 102 115.208 3.788 4.081 1.00 0.00 C ATOM 1658 O TYR A 102 116.316 3.678 4.565 1.00 0.00 O ATOM 1659 CB TYR A 102 114.468 3.181 1.773 1.00 0.00 C ATOM 1660 CG TYR A 102 115.831 3.269 1.130 1.00 0.00 C ATOM 1661 CD1 TYR A 102 116.647 4.381 1.361 1.00 0.00 C ATOM 1662 CD2 TYR A 102 116.272 2.241 0.288 1.00 0.00 C ATOM 1663 CE1 TYR A 102 117.904 4.464 0.750 1.00 0.00 C ATOM 1664 CE2 TYR A 102 117.527 2.325 -0.324 1.00 0.00 C ATOM 1665 CZ TYR A 102 118.343 3.438 -0.094 1.00 0.00 C ATOM 1666 OH TYR A 102 119.581 3.523 -0.696 1.00 0.00 O ATOM 0 H TYR A 102 112.477 2.532 3.063 1.00 0.00 H new ATOM 0 HA TYR A 102 115.221 1.799 3.247 1.00 0.00 H new ATOM 0 HB2 TYR A 102 113.833 2.503 1.203 1.00 0.00 H new ATOM 0 HB3 TYR A 102 113.987 4.159 1.756 1.00 0.00 H new ATOM 0 HD1 TYR A 102 116.308 5.175 2.010 1.00 0.00 H new ATOM 0 HD2 TYR A 102 115.642 1.382 0.111 1.00 0.00 H new ATOM 0 HE1 TYR A 102 118.536 5.321 0.930 1.00 0.00 H new ATOM 0 HE2 TYR A 102 117.866 1.531 -0.973 1.00 0.00 H new ATOM 0 HH TYR A 102 120.053 4.315 -0.363 1.00 0.00 H new ATOM 1676 N MET A 103 114.484 4.844 4.289 1.00 0.00 N ATOM 1677 CA MET A 103 115.005 5.954 5.126 1.00 0.00 C ATOM 1678 C MET A 103 115.259 5.453 6.547 1.00 0.00 C ATOM 1679 O MET A 103 116.053 6.011 7.279 1.00 0.00 O ATOM 1680 CB MET A 103 113.983 7.093 5.145 1.00 0.00 C ATOM 1681 CG MET A 103 113.977 7.788 3.783 1.00 0.00 C ATOM 1682 SD MET A 103 112.626 8.991 3.720 1.00 0.00 S ATOM 1683 CE MET A 103 112.857 9.502 1.999 1.00 0.00 C ATOM 0 H MET A 103 113.547 4.989 3.913 1.00 0.00 H new ATOM 0 HA MET A 103 115.944 6.319 4.709 1.00 0.00 H new ATOM 0 HB2 MET A 103 112.991 6.703 5.372 1.00 0.00 H new ATOM 0 HB3 MET A 103 114.232 7.807 5.930 1.00 0.00 H new ATOM 0 HG2 MET A 103 114.931 8.288 3.615 1.00 0.00 H new ATOM 0 HG3 MET A 103 113.859 7.051 2.988 1.00 0.00 H new ATOM 0 HE1 MET A 103 112.114 10.256 1.741 1.00 0.00 H new ATOM 0 HE2 MET A 103 113.856 9.919 1.874 1.00 0.00 H new ATOM 0 HE3 MET A 103 112.740 8.638 1.344 1.00 0.00 H new ATOM 1693 N LYS A 104 114.580 4.418 6.952 1.00 0.00 N ATOM 1694 CA LYS A 104 114.771 3.905 8.332 1.00 0.00 C ATOM 1695 C LYS A 104 116.239 3.481 8.548 1.00 0.00 C ATOM 1696 O LYS A 104 116.835 3.832 9.547 1.00 0.00 O ATOM 1697 CB LYS A 104 113.817 2.715 8.552 1.00 0.00 C ATOM 1698 CG LYS A 104 113.383 2.631 10.023 1.00 0.00 C ATOM 1699 CD LYS A 104 112.234 3.613 10.290 1.00 0.00 C ATOM 1700 CE LYS A 104 111.737 3.428 11.720 1.00 0.00 C ATOM 1701 NZ LYS A 104 110.621 4.380 11.981 1.00 0.00 N ATOM 0 H LYS A 104 113.902 3.907 6.387 1.00 0.00 H new ATOM 0 HA LYS A 104 114.544 4.689 9.055 1.00 0.00 H new ATOM 0 HB2 LYS A 104 112.940 2.823 7.915 1.00 0.00 H new ATOM 0 HB3 LYS A 104 114.311 1.788 8.260 1.00 0.00 H new ATOM 0 HG2 LYS A 104 113.066 1.615 10.259 1.00 0.00 H new ATOM 0 HG3 LYS A 104 114.227 2.861 10.673 1.00 0.00 H new ATOM 0 HD2 LYS A 104 112.574 4.638 10.140 1.00 0.00 H new ATOM 0 HD3 LYS A 104 111.421 3.440 9.585 1.00 0.00 H new ATOM 0 HE2 LYS A 104 111.398 2.403 11.870 1.00 0.00 H new ATOM 0 HE3 LYS A 104 112.550 3.601 12.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 110.280 4.256 12.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 110.960 5.355 11.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 109.843 4.194 11.316 1.00 0.00 H new ATOM 1715 N TYR A 105 116.840 2.735 7.638 1.00 0.00 N ATOM 1716 CA TYR A 105 118.280 2.325 7.854 1.00 0.00 C ATOM 1717 C TYR A 105 119.068 2.272 6.541 1.00 0.00 C ATOM 1718 O TYR A 105 120.192 1.809 6.530 1.00 0.00 O ATOM 1719 CB TYR A 105 118.341 0.937 8.491 1.00 0.00 C ATOM 1720 CG TYR A 105 117.642 0.959 9.822 1.00 0.00 C ATOM 1721 CD1 TYR A 105 118.320 1.400 10.965 1.00 0.00 C ATOM 1722 CD2 TYR A 105 116.312 0.549 9.910 1.00 0.00 C ATOM 1723 CE1 TYR A 105 117.660 1.429 12.197 1.00 0.00 C ATOM 1724 CE2 TYR A 105 115.651 0.580 11.139 1.00 0.00 C ATOM 1725 CZ TYR A 105 116.324 1.021 12.285 1.00 0.00 C ATOM 1726 OH TYR A 105 115.669 1.053 13.500 1.00 0.00 O ATOM 0 H TYR A 105 116.411 2.399 6.776 1.00 0.00 H new ATOM 0 HA TYR A 105 118.725 3.076 8.506 1.00 0.00 H new ATOM 0 HB2 TYR A 105 117.871 0.204 7.835 1.00 0.00 H new ATOM 0 HB3 TYR A 105 119.379 0.631 8.620 1.00 0.00 H new ATOM 0 HD1 TYR A 105 119.350 1.717 10.895 1.00 0.00 H new ATOM 0 HD2 TYR A 105 115.793 0.207 9.027 1.00 0.00 H new ATOM 0 HE1 TYR A 105 118.181 1.766 13.081 1.00 0.00 H new ATOM 0 HE2 TYR A 105 114.620 0.264 11.206 1.00 0.00 H new ATOM 0 HH TYR A 105 114.748 0.738 13.384 1.00 0.00 H new ATOM 1736 N LEU A 106 118.515 2.721 5.439 1.00 0.00 N ATOM 1737 CA LEU A 106 119.277 2.663 4.140 1.00 0.00 C ATOM 1738 C LEU A 106 119.640 4.074 3.661 1.00 0.00 C ATOM 1739 O LEU A 106 120.521 4.237 2.839 1.00 0.00 O ATOM 1740 CB LEU A 106 118.431 1.940 3.084 1.00 0.00 C ATOM 1741 CG LEU A 106 118.442 0.415 3.363 1.00 0.00 C ATOM 1742 CD1 LEU A 106 117.187 -0.249 2.765 1.00 0.00 C ATOM 1743 CD2 LEU A 106 119.705 -0.227 2.756 1.00 0.00 C ATOM 0 H LEU A 106 117.579 3.122 5.377 1.00 0.00 H new ATOM 0 HA LEU A 106 120.204 2.112 4.297 1.00 0.00 H new ATOM 0 HB2 LEU A 106 117.408 2.316 3.103 1.00 0.00 H new ATOM 0 HB3 LEU A 106 118.826 2.140 2.088 1.00 0.00 H new ATOM 0 HG LEU A 106 118.445 0.262 4.442 1.00 0.00 H new ATOM 0 HD11 LEU A 106 117.209 -1.319 2.969 1.00 0.00 H new ATOM 0 HD12 LEU A 106 116.295 0.188 3.215 1.00 0.00 H new ATOM 0 HD13 LEU A 106 117.167 -0.086 1.688 1.00 0.00 H new ATOM 0 HD21 LEU A 106 119.702 -1.298 2.958 1.00 0.00 H new ATOM 0 HD22 LEU A 106 119.716 -0.061 1.679 1.00 0.00 H new ATOM 0 HD23 LEU A 106 120.592 0.224 3.201 1.00 0.00 H new ATOM 1755 N TYR A 107 119.006 5.105 4.166 1.00 0.00 N ATOM 1756 CA TYR A 107 119.391 6.478 3.711 1.00 0.00 C ATOM 1757 C TYR A 107 120.737 6.880 4.343 1.00 0.00 C ATOM 1758 O TYR A 107 121.539 7.521 3.694 1.00 0.00 O ATOM 1759 CB TYR A 107 118.299 7.521 4.030 1.00 0.00 C ATOM 1760 CG TYR A 107 118.855 8.910 3.812 1.00 0.00 C ATOM 1761 CD1 TYR A 107 119.517 9.572 4.854 1.00 0.00 C ATOM 1762 CD2 TYR A 107 118.720 9.527 2.563 1.00 0.00 C ATOM 1763 CE1 TYR A 107 120.042 10.853 4.645 1.00 0.00 C ATOM 1764 CE2 TYR A 107 119.247 10.806 2.355 1.00 0.00 C ATOM 1765 CZ TYR A 107 119.908 11.470 3.396 1.00 0.00 C ATOM 1766 OH TYR A 107 120.428 12.730 3.188 1.00 0.00 O ATOM 0 H TYR A 107 118.257 5.059 4.857 1.00 0.00 H new ATOM 0 HA TYR A 107 119.498 6.455 2.627 1.00 0.00 H new ATOM 0 HB2 TYR A 107 117.430 7.361 3.392 1.00 0.00 H new ATOM 0 HB3 TYR A 107 117.963 7.409 5.061 1.00 0.00 H new ATOM 0 HD1 TYR A 107 119.622 9.095 5.817 1.00 0.00 H new ATOM 0 HD2 TYR A 107 118.209 9.016 1.760 1.00 0.00 H new ATOM 0 HE1 TYR A 107 120.551 11.365 5.448 1.00 0.00 H new ATOM 0 HE2 TYR A 107 119.144 11.282 1.391 1.00 0.00 H new ATOM 0 HH TYR A 107 120.248 13.010 2.266 1.00 0.00 H new ATOM 1776 N PRO A 108 121.020 6.507 5.578 1.00 0.00 N ATOM 1777 CA PRO A 108 122.326 6.870 6.186 1.00 0.00 C ATOM 1778 C PRO A 108 123.440 6.000 5.594 1.00 0.00 C ATOM 1779 O PRO A 108 124.510 6.468 5.258 1.00 0.00 O ATOM 1780 CB PRO A 108 122.100 6.558 7.683 1.00 0.00 C ATOM 1781 CG PRO A 108 120.667 6.011 7.851 1.00 0.00 C ATOM 1782 CD PRO A 108 120.103 5.721 6.451 1.00 0.00 C ATOM 0 HA PRO A 108 122.630 7.902 6.010 1.00 0.00 H new ATOM 0 HB2 PRO A 108 122.829 5.827 8.033 1.00 0.00 H new ATOM 0 HB3 PRO A 108 122.236 7.457 8.283 1.00 0.00 H new ATOM 0 HG2 PRO A 108 120.674 5.104 8.455 1.00 0.00 H new ATOM 0 HG3 PRO A 108 120.041 6.736 8.372 1.00 0.00 H new ATOM 0 HD2 PRO A 108 120.126 4.657 6.214 1.00 0.00 H new ATOM 0 HD3 PRO A 108 119.067 6.047 6.353 1.00 0.00 H new ATOM 1790 N TYR A 109 123.175 4.728 5.467 1.00 0.00 N ATOM 1791 CA TYR A 109 124.185 3.795 4.902 1.00 0.00 C ATOM 1792 C TYR A 109 124.510 4.197 3.460 1.00 0.00 C ATOM 1793 O TYR A 109 125.657 4.329 3.085 1.00 0.00 O ATOM 1794 CB TYR A 109 123.608 2.378 4.921 1.00 0.00 C ATOM 1795 CG TYR A 109 124.676 1.398 4.506 1.00 0.00 C ATOM 1796 CD1 TYR A 109 125.731 1.117 5.379 1.00 0.00 C ATOM 1797 CD2 TYR A 109 124.613 0.772 3.255 1.00 0.00 C ATOM 1798 CE1 TYR A 109 126.726 0.210 5.002 1.00 0.00 C ATOM 1799 CE2 TYR A 109 125.606 -0.135 2.879 1.00 0.00 C ATOM 1800 CZ TYR A 109 126.665 -0.416 3.752 1.00 0.00 C ATOM 1801 OH TYR A 109 127.647 -1.309 3.377 1.00 0.00 O ATOM 0 H TYR A 109 122.292 4.293 5.734 1.00 0.00 H new ATOM 0 HA TYR A 109 125.098 3.834 5.496 1.00 0.00 H new ATOM 0 HB2 TYR A 109 123.244 2.135 5.919 1.00 0.00 H new ATOM 0 HB3 TYR A 109 122.755 2.311 4.245 1.00 0.00 H new ATOM 0 HD1 TYR A 109 125.777 1.600 6.344 1.00 0.00 H new ATOM 0 HD2 TYR A 109 123.797 0.990 2.582 1.00 0.00 H new ATOM 0 HE1 TYR A 109 127.542 -0.007 5.676 1.00 0.00 H new ATOM 0 HE2 TYR A 109 125.558 -0.620 1.915 1.00 0.00 H new ATOM 0 HH TYR A 109 127.231 -2.135 3.053 1.00 0.00 H new ATOM 1811 N GLU A 110 123.504 4.395 2.650 1.00 0.00 N ATOM 1812 CA GLU A 110 123.744 4.791 1.235 1.00 0.00 C ATOM 1813 C GLU A 110 124.618 6.048 1.201 1.00 0.00 C ATOM 1814 O GLU A 110 125.629 6.104 0.530 1.00 0.00 O ATOM 1815 CB GLU A 110 122.394 5.100 0.587 1.00 0.00 C ATOM 1816 CG GLU A 110 122.595 5.512 -0.873 1.00 0.00 C ATOM 1817 CD GLU A 110 121.225 5.729 -1.524 1.00 0.00 C ATOM 1818 OE1 GLU A 110 120.252 5.813 -0.792 1.00 0.00 O ATOM 1819 OE2 GLU A 110 121.167 5.793 -2.741 1.00 0.00 O ATOM 0 H GLU A 110 122.523 4.299 2.911 1.00 0.00 H new ATOM 0 HA GLU A 110 124.247 3.986 0.699 1.00 0.00 H new ATOM 0 HB2 GLU A 110 121.747 4.224 0.640 1.00 0.00 H new ATOM 0 HB3 GLU A 110 121.894 5.900 1.133 1.00 0.00 H new ATOM 0 HG2 GLU A 110 123.187 6.426 -0.928 1.00 0.00 H new ATOM 0 HG3 GLU A 110 123.148 4.741 -1.409 1.00 0.00 H new ATOM 1826 N CYS A 111 124.220 7.058 1.925 1.00 0.00 N ATOM 1827 CA CYS A 111 124.996 8.331 1.959 1.00 0.00 C ATOM 1828 C CYS A 111 126.338 8.129 2.670 1.00 0.00 C ATOM 1829 O CYS A 111 127.321 8.767 2.359 1.00 0.00 O ATOM 1830 CB CYS A 111 124.182 9.395 2.695 1.00 0.00 C ATOM 1831 SG CYS A 111 122.782 9.901 1.664 1.00 0.00 S ATOM 0 H CYS A 111 123.379 7.055 2.502 1.00 0.00 H new ATOM 0 HA CYS A 111 125.192 8.652 0.936 1.00 0.00 H new ATOM 0 HB2 CYS A 111 123.824 9.001 3.646 1.00 0.00 H new ATOM 0 HB3 CYS A 111 124.810 10.256 2.923 1.00 0.00 H new ATOM 0 HG CYS A 111 121.842 10.390 2.418 1.00 0.00 H new ATOM 1837 N GLU A 112 126.391 7.273 3.646 1.00 0.00 N ATOM 1838 CA GLU A 112 127.673 7.081 4.378 1.00 0.00 C ATOM 1839 C GLU A 112 128.763 6.608 3.407 1.00 0.00 C ATOM 1840 O GLU A 112 129.866 7.120 3.412 1.00 0.00 O ATOM 1841 CB GLU A 112 127.465 6.039 5.486 1.00 0.00 C ATOM 1842 CG GLU A 112 128.764 5.830 6.277 1.00 0.00 C ATOM 1843 CD GLU A 112 129.150 7.127 6.992 1.00 0.00 C ATOM 1844 OE1 GLU A 112 128.291 7.980 7.138 1.00 0.00 O ATOM 1845 OE2 GLU A 112 130.298 7.241 7.388 1.00 0.00 O ATOM 0 H GLU A 112 125.611 6.701 3.969 1.00 0.00 H new ATOM 0 HA GLU A 112 127.988 8.026 4.821 1.00 0.00 H new ATOM 0 HB2 GLU A 112 126.672 6.367 6.158 1.00 0.00 H new ATOM 0 HB3 GLU A 112 127.142 5.094 5.049 1.00 0.00 H new ATOM 0 HG2 GLU A 112 128.633 5.028 7.004 1.00 0.00 H new ATOM 0 HG3 GLU A 112 129.565 5.523 5.604 1.00 0.00 H new ATOM 1852 N LYS A 113 128.482 5.632 2.588 1.00 0.00 N ATOM 1853 CA LYS A 113 129.526 5.134 1.640 1.00 0.00 C ATOM 1854 C LYS A 113 129.615 6.021 0.389 1.00 0.00 C ATOM 1855 O LYS A 113 130.689 6.252 -0.131 1.00 0.00 O ATOM 1856 CB LYS A 113 129.189 3.706 1.210 1.00 0.00 C ATOM 1857 CG LYS A 113 129.254 2.774 2.421 1.00 0.00 C ATOM 1858 CD LYS A 113 129.276 1.319 1.943 1.00 0.00 C ATOM 1859 CE LYS A 113 128.031 1.032 1.098 1.00 0.00 C ATOM 1860 NZ LYS A 113 127.833 -0.442 0.995 1.00 0.00 N ATOM 0 H LYS A 113 127.580 5.158 2.532 1.00 0.00 H new ATOM 0 HA LYS A 113 130.486 5.160 2.155 1.00 0.00 H new ATOM 0 HB2 LYS A 113 128.193 3.675 0.768 1.00 0.00 H new ATOM 0 HB3 LYS A 113 129.889 3.372 0.444 1.00 0.00 H new ATOM 0 HG2 LYS A 113 130.145 2.988 3.011 1.00 0.00 H new ATOM 0 HG3 LYS A 113 128.394 2.942 3.070 1.00 0.00 H new ATOM 0 HD2 LYS A 113 130.176 1.133 1.357 1.00 0.00 H new ATOM 0 HD3 LYS A 113 129.309 0.646 2.799 1.00 0.00 H new ATOM 0 HE2 LYS A 113 127.155 1.497 1.551 1.00 0.00 H new ATOM 0 HE3 LYS A 113 128.144 1.465 0.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 127.108 -0.646 0.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 128.729 -0.894 0.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 127.524 -0.816 1.915 1.00 0.00 H new ATOM 1874 N LYS A 114 128.499 6.488 -0.120 1.00 0.00 N ATOM 1875 CA LYS A 114 128.522 7.324 -1.370 1.00 0.00 C ATOM 1876 C LYS A 114 128.257 8.801 -1.062 1.00 0.00 C ATOM 1877 O LYS A 114 128.661 9.669 -1.809 1.00 0.00 O ATOM 1878 CB LYS A 114 127.435 6.816 -2.323 1.00 0.00 C ATOM 1879 CG LYS A 114 127.703 5.353 -2.709 1.00 0.00 C ATOM 1880 CD LYS A 114 128.937 5.254 -3.622 1.00 0.00 C ATOM 1881 CE LYS A 114 128.913 3.925 -4.385 1.00 0.00 C ATOM 1882 NZ LYS A 114 127.656 3.828 -5.179 1.00 0.00 N ATOM 0 H LYS A 114 127.572 6.328 0.274 1.00 0.00 H new ATOM 0 HA LYS A 114 129.510 7.239 -1.822 1.00 0.00 H new ATOM 0 HB2 LYS A 114 126.458 6.900 -1.848 1.00 0.00 H new ATOM 0 HB3 LYS A 114 127.409 7.436 -3.219 1.00 0.00 H new ATOM 0 HG2 LYS A 114 127.859 4.756 -1.810 1.00 0.00 H new ATOM 0 HG3 LYS A 114 126.832 4.940 -3.218 1.00 0.00 H new ATOM 0 HD2 LYS A 114 128.949 6.087 -4.325 1.00 0.00 H new ATOM 0 HD3 LYS A 114 129.848 5.326 -3.027 1.00 0.00 H new ATOM 0 HE2 LYS A 114 129.778 3.857 -5.045 1.00 0.00 H new ATOM 0 HE3 LYS A 114 128.979 3.091 -3.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 127.818 3.230 -6.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 126.907 3.408 -4.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 127.365 4.778 -5.485 1.00 0.00 H new ATOM 1896 N ASN A 115 127.580 9.108 0.009 1.00 0.00 N ATOM 1897 CA ASN A 115 127.308 10.544 0.312 1.00 0.00 C ATOM 1898 C ASN A 115 126.637 11.175 -0.910 1.00 0.00 C ATOM 1899 O ASN A 115 127.082 12.175 -1.437 1.00 0.00 O ATOM 1900 CB ASN A 115 128.630 11.257 0.613 1.00 0.00 C ATOM 1901 CG ASN A 115 128.346 12.627 1.231 1.00 0.00 C ATOM 1902 OD1 ASN A 115 128.603 13.647 0.623 1.00 0.00 O ATOM 1903 ND2 ASN A 115 127.821 12.691 2.423 1.00 0.00 N ATOM 0 H ASN A 115 127.207 8.438 0.681 1.00 0.00 H new ATOM 0 HA ASN A 115 126.654 10.635 1.179 1.00 0.00 H new ATOM 0 HB2 ASN A 115 129.231 10.657 1.296 1.00 0.00 H new ATOM 0 HB3 ASN A 115 129.209 11.373 -0.303 1.00 0.00 H new ATOM 0 HD21 ASN A 115 127.626 13.598 2.846 1.00 0.00 H new ATOM 0 HD22 ASN A 115 127.606 11.834 2.932 1.00 0.00 H new ATOM 1910 N LEU A 116 125.577 10.569 -1.371 1.00 0.00 N ATOM 1911 CA LEU A 116 124.865 11.087 -2.574 1.00 0.00 C ATOM 1912 C LEU A 116 124.360 12.508 -2.341 1.00 0.00 C ATOM 1913 O LEU A 116 124.459 13.358 -3.205 1.00 0.00 O ATOM 1914 CB LEU A 116 123.646 10.207 -2.840 1.00 0.00 C ATOM 1915 CG LEU A 116 124.083 8.780 -3.175 1.00 0.00 C ATOM 1916 CD1 LEU A 116 122.844 7.884 -3.217 1.00 0.00 C ATOM 1917 CD2 LEU A 116 124.801 8.746 -4.541 1.00 0.00 C ATOM 0 H LEU A 116 125.170 9.728 -0.961 1.00 0.00 H new ATOM 0 HA LEU A 116 125.561 11.079 -3.413 1.00 0.00 H new ATOM 0 HB2 LEU A 116 122.997 10.199 -1.965 1.00 0.00 H new ATOM 0 HB3 LEU A 116 123.065 10.619 -3.665 1.00 0.00 H new ATOM 0 HG LEU A 116 124.776 8.423 -2.413 1.00 0.00 H new ATOM 0 HD11 LEU A 116 123.141 6.863 -3.455 1.00 0.00 H new ATOM 0 HD12 LEU A 116 122.350 7.901 -2.246 1.00 0.00 H new ATOM 0 HD13 LEU A 116 122.157 8.249 -3.980 1.00 0.00 H new ATOM 0 HD21 LEU A 116 125.106 7.724 -4.766 1.00 0.00 H new ATOM 0 HD22 LEU A 116 124.123 9.102 -5.317 1.00 0.00 H new ATOM 0 HD23 LEU A 116 125.681 9.388 -4.506 1.00 0.00 H new ATOM 1929 N SER A 117 123.783 12.769 -1.201 1.00 0.00 N ATOM 1930 CA SER A 117 123.234 14.132 -0.947 1.00 0.00 C ATOM 1931 C SER A 117 123.199 14.402 0.565 1.00 0.00 C ATOM 1932 O SER A 117 123.591 13.572 1.360 1.00 0.00 O ATOM 1933 CB SER A 117 121.808 14.191 -1.541 1.00 0.00 C ATOM 1934 OG SER A 117 121.569 12.997 -2.274 1.00 0.00 O ATOM 0 H SER A 117 123.668 12.102 -0.438 1.00 0.00 H new ATOM 0 HA SER A 117 123.861 14.892 -1.413 1.00 0.00 H new ATOM 0 HB2 SER A 117 121.071 14.299 -0.745 1.00 0.00 H new ATOM 0 HB3 SER A 117 121.705 15.060 -2.191 1.00 0.00 H new ATOM 0 HG SER A 117 121.065 13.208 -3.087 1.00 0.00 H new ATOM 1940 N THR A 118 122.717 15.561 0.960 1.00 0.00 N ATOM 1941 CA THR A 118 122.632 15.905 2.413 1.00 0.00 C ATOM 1942 C THR A 118 121.147 16.056 2.775 1.00 0.00 C ATOM 1943 O THR A 118 120.343 16.398 1.931 1.00 0.00 O ATOM 1944 CB THR A 118 123.361 17.237 2.655 1.00 0.00 C ATOM 1945 OG1 THR A 118 123.095 18.123 1.576 1.00 0.00 O ATOM 1946 CG2 THR A 118 124.868 16.994 2.755 1.00 0.00 C ATOM 0 H THR A 118 122.377 16.287 0.329 1.00 0.00 H new ATOM 0 HA THR A 118 123.093 15.129 3.024 1.00 0.00 H new ATOM 0 HB THR A 118 123.006 17.677 3.587 1.00 0.00 H new ATOM 0 HG1 THR A 118 123.558 18.973 1.729 1.00 0.00 H new ATOM 0 HG21 THR A 118 125.379 17.942 2.926 1.00 0.00 H new ATOM 0 HG22 THR A 118 125.073 16.316 3.584 1.00 0.00 H new ATOM 0 HG23 THR A 118 125.228 16.551 1.826 1.00 0.00 H new ATOM 1954 N PRO A 119 120.762 15.808 4.004 1.00 0.00 N ATOM 1955 CA PRO A 119 119.331 15.948 4.380 1.00 0.00 C ATOM 1956 C PRO A 119 118.776 17.314 3.954 1.00 0.00 C ATOM 1957 O PRO A 119 117.584 17.499 3.817 1.00 0.00 O ATOM 1958 CB PRO A 119 119.367 15.787 5.916 1.00 0.00 C ATOM 1959 CG PRO A 119 120.832 15.559 6.350 1.00 0.00 C ATOM 1960 CD PRO A 119 121.692 15.387 5.086 1.00 0.00 C ATOM 0 HA PRO A 119 118.677 15.224 3.894 1.00 0.00 H new ATOM 0 HB2 PRO A 119 118.962 16.676 6.400 1.00 0.00 H new ATOM 0 HB3 PRO A 119 118.745 14.946 6.224 1.00 0.00 H new ATOM 0 HG2 PRO A 119 121.189 16.404 6.939 1.00 0.00 H new ATOM 0 HG3 PRO A 119 120.907 14.675 6.983 1.00 0.00 H new ATOM 0 HD2 PRO A 119 122.587 16.008 5.116 1.00 0.00 H new ATOM 0 HD3 PRO A 119 122.024 14.357 4.958 1.00 0.00 H new ATOM 1968 N ALA A 120 119.642 18.267 3.739 1.00 0.00 N ATOM 1969 CA ALA A 120 119.176 19.618 3.314 1.00 0.00 C ATOM 1970 C ALA A 120 118.626 19.547 1.891 1.00 0.00 C ATOM 1971 O ALA A 120 117.494 19.907 1.625 1.00 0.00 O ATOM 1972 CB ALA A 120 120.347 20.598 3.355 1.00 0.00 C ATOM 0 H ALA A 120 120.652 18.168 3.839 1.00 0.00 H new ATOM 0 HA ALA A 120 118.391 19.957 3.990 1.00 0.00 H new ATOM 0 HB1 ALA A 120 120.006 21.586 3.044 1.00 0.00 H new ATOM 0 HB2 ALA A 120 120.740 20.653 4.370 1.00 0.00 H new ATOM 0 HB3 ALA A 120 121.131 20.256 2.680 1.00 0.00 H new ATOM 1978 N GLU A 121 119.426 19.081 0.972 1.00 0.00 N ATOM 1979 CA GLU A 121 118.968 18.982 -0.437 1.00 0.00 C ATOM 1980 C GLU A 121 117.913 17.887 -0.541 1.00 0.00 C ATOM 1981 O GLU A 121 117.118 17.861 -1.460 1.00 0.00 O ATOM 1982 CB GLU A 121 120.159 18.696 -1.362 1.00 0.00 C ATOM 1983 CG GLU A 121 121.006 17.539 -0.828 1.00 0.00 C ATOM 1984 CD GLU A 121 122.312 17.477 -1.621 1.00 0.00 C ATOM 1985 OE1 GLU A 121 122.284 17.797 -2.798 1.00 0.00 O ATOM 1986 OE2 GLU A 121 123.320 17.119 -1.036 1.00 0.00 O ATOM 0 H GLU A 121 120.381 18.764 1.140 1.00 0.00 H new ATOM 0 HA GLU A 121 118.526 19.928 -0.751 1.00 0.00 H new ATOM 0 HB2 GLU A 121 119.797 18.455 -2.362 1.00 0.00 H new ATOM 0 HB3 GLU A 121 120.776 19.590 -1.453 1.00 0.00 H new ATOM 0 HG2 GLU A 121 121.215 17.682 0.232 1.00 0.00 H new ATOM 0 HG3 GLU A 121 120.463 16.599 -0.922 1.00 0.00 H new ATOM 1993 N LEU A 122 117.873 17.001 0.414 1.00 0.00 N ATOM 1994 CA LEU A 122 116.836 15.936 0.381 1.00 0.00 C ATOM 1995 C LEU A 122 115.471 16.622 0.405 1.00 0.00 C ATOM 1996 O LEU A 122 114.594 16.319 -0.379 1.00 0.00 O ATOM 1997 CB LEU A 122 116.986 15.034 1.615 1.00 0.00 C ATOM 1998 CG LEU A 122 115.870 13.976 1.652 1.00 0.00 C ATOM 1999 CD1 LEU A 122 115.941 13.084 0.406 1.00 0.00 C ATOM 2000 CD2 LEU A 122 116.045 13.114 2.905 1.00 0.00 C ATOM 0 H LEU A 122 118.509 16.969 1.211 1.00 0.00 H new ATOM 0 HA LEU A 122 116.940 15.322 -0.513 1.00 0.00 H new ATOM 0 HB2 LEU A 122 117.959 14.543 1.597 1.00 0.00 H new ATOM 0 HB3 LEU A 122 116.951 15.639 2.521 1.00 0.00 H new ATOM 0 HG LEU A 122 114.901 14.475 1.671 1.00 0.00 H new ATOM 0 HD11 LEU A 122 115.145 12.340 0.445 1.00 0.00 H new ATOM 0 HD12 LEU A 122 115.821 13.697 -0.487 1.00 0.00 H new ATOM 0 HD13 LEU A 122 116.907 12.581 0.373 1.00 0.00 H new ATOM 0 HD21 LEU A 122 115.258 12.360 2.941 1.00 0.00 H new ATOM 0 HD22 LEU A 122 117.017 12.622 2.876 1.00 0.00 H new ATOM 0 HD23 LEU A 122 115.984 13.745 3.792 1.00 0.00 H new ATOM 2012 N GLN A 123 115.295 17.561 1.297 1.00 0.00 N ATOM 2013 CA GLN A 123 114.000 18.285 1.372 1.00 0.00 C ATOM 2014 C GLN A 123 113.747 18.981 0.037 1.00 0.00 C ATOM 2015 O GLN A 123 112.646 18.981 -0.477 1.00 0.00 O ATOM 2016 CB GLN A 123 114.063 19.323 2.495 1.00 0.00 C ATOM 2017 CG GLN A 123 112.706 20.016 2.629 1.00 0.00 C ATOM 2018 CD GLN A 123 112.725 20.949 3.840 1.00 0.00 C ATOM 2019 OE1 GLN A 123 113.638 21.733 4.004 1.00 0.00 O ATOM 2020 NE2 GLN A 123 111.748 20.895 4.703 1.00 0.00 N ATOM 0 H GLN A 123 115.996 17.856 1.977 1.00 0.00 H new ATOM 0 HA GLN A 123 113.191 17.585 1.579 1.00 0.00 H new ATOM 0 HB2 GLN A 123 114.331 18.841 3.435 1.00 0.00 H new ATOM 0 HB3 GLN A 123 114.839 20.058 2.281 1.00 0.00 H new ATOM 0 HG2 GLN A 123 112.484 20.582 1.724 1.00 0.00 H new ATOM 0 HG3 GLN A 123 111.916 19.273 2.742 1.00 0.00 H new ATOM 0 HE21 GLN A 123 110.981 20.236 4.565 1.00 0.00 H new ATOM 0 HE22 GLN A 123 111.751 21.511 5.516 1.00 0.00 H new ATOM 2029 N ALA A 124 114.766 19.555 -0.545 1.00 0.00 N ATOM 2030 CA ALA A 124 114.579 20.222 -1.860 1.00 0.00 C ATOM 2031 C ALA A 124 114.090 19.173 -2.855 1.00 0.00 C ATOM 2032 O ALA A 124 113.318 19.456 -3.750 1.00 0.00 O ATOM 2033 CB ALA A 124 115.907 20.810 -2.339 1.00 0.00 C ATOM 0 H ALA A 124 115.713 19.590 -0.167 1.00 0.00 H new ATOM 0 HA ALA A 124 113.854 21.031 -1.773 1.00 0.00 H new ATOM 0 HB1 ALA A 124 115.762 21.297 -3.303 1.00 0.00 H new ATOM 0 HB2 ALA A 124 116.264 21.541 -1.613 1.00 0.00 H new ATOM 0 HB3 ALA A 124 116.642 20.012 -2.442 1.00 0.00 H new ATOM 2039 N ALA A 125 114.531 17.954 -2.695 1.00 0.00 N ATOM 2040 CA ALA A 125 114.092 16.874 -3.617 1.00 0.00 C ATOM 2041 C ALA A 125 112.588 16.652 -3.431 1.00 0.00 C ATOM 2042 O ALA A 125 111.854 16.485 -4.384 1.00 0.00 O ATOM 2043 CB ALA A 125 114.857 15.584 -3.288 1.00 0.00 C ATOM 0 H ALA A 125 115.178 17.662 -1.963 1.00 0.00 H new ATOM 0 HA ALA A 125 114.296 17.153 -4.651 1.00 0.00 H new ATOM 0 HB1 ALA A 125 114.538 14.789 -3.962 1.00 0.00 H new ATOM 0 HB2 ALA A 125 115.927 15.754 -3.409 1.00 0.00 H new ATOM 0 HB3 ALA A 125 114.651 15.291 -2.259 1.00 0.00 H new ATOM 2049 N ILE A 126 112.123 16.661 -2.210 1.00 0.00 N ATOM 2050 CA ILE A 126 110.665 16.466 -1.971 1.00 0.00 C ATOM 2051 C ILE A 126 109.900 17.697 -2.459 1.00 0.00 C ATOM 2052 O ILE A 126 108.850 17.591 -3.061 1.00 0.00 O ATOM 2053 CB ILE A 126 110.419 16.267 -0.474 1.00 0.00 C ATOM 2054 CG1 ILE A 126 111.064 14.952 -0.031 1.00 0.00 C ATOM 2055 CG2 ILE A 126 108.913 16.216 -0.201 1.00 0.00 C ATOM 2056 CD1 ILE A 126 111.044 14.861 1.495 1.00 0.00 C ATOM 0 H ILE A 126 112.688 16.794 -1.371 1.00 0.00 H new ATOM 0 HA ILE A 126 110.319 15.587 -2.515 1.00 0.00 H new ATOM 0 HB ILE A 126 110.856 17.097 0.082 1.00 0.00 H new ATOM 0 HG12 ILE A 126 110.527 14.108 -0.463 1.00 0.00 H new ATOM 0 HG13 ILE A 126 112.090 14.897 -0.395 1.00 0.00 H new ATOM 0 HG21 ILE A 126 108.741 16.074 0.866 1.00 0.00 H new ATOM 0 HG22 ILE A 126 108.453 17.151 -0.521 1.00 0.00 H new ATOM 0 HG23 ILE A 126 108.471 15.387 -0.753 1.00 0.00 H new ATOM 0 HD11 ILE A 126 111.504 13.924 1.810 1.00 0.00 H new ATOM 0 HD12 ILE A 126 111.601 15.698 1.917 1.00 0.00 H new ATOM 0 HD13 ILE A 126 110.013 14.896 1.848 1.00 0.00 H new ATOM 2068 N ASP A 127 110.422 18.868 -2.209 1.00 0.00 N ATOM 2069 CA ASP A 127 109.729 20.107 -2.662 1.00 0.00 C ATOM 2070 C ASP A 127 109.766 20.166 -4.191 1.00 0.00 C ATOM 2071 O ASP A 127 108.803 20.537 -4.833 1.00 0.00 O ATOM 2072 CB ASP A 127 110.444 21.329 -2.080 1.00 0.00 C ATOM 2073 CG ASP A 127 109.638 22.593 -2.388 1.00 0.00 C ATOM 2074 OD1 ASP A 127 108.816 22.543 -3.287 1.00 0.00 O ATOM 2075 OD2 ASP A 127 109.858 23.588 -1.717 1.00 0.00 O ATOM 0 H ASP A 127 111.299 19.019 -1.710 1.00 0.00 H new ATOM 0 HA ASP A 127 108.694 20.101 -2.321 1.00 0.00 H new ATOM 0 HB2 ASP A 127 110.562 21.215 -1.002 1.00 0.00 H new ATOM 0 HB3 ASP A 127 111.445 21.412 -2.503 1.00 0.00 H new ATOM 2080 N GLY A 128 110.871 19.790 -4.775 1.00 0.00 N ATOM 2081 CA GLY A 128 110.983 19.808 -6.261 1.00 0.00 C ATOM 2082 C GLY A 128 109.962 18.840 -6.860 1.00 0.00 C ATOM 2083 O GLY A 128 109.540 18.985 -7.991 1.00 0.00 O ATOM 0 H GLY A 128 111.705 19.469 -4.284 1.00 0.00 H new ATOM 0 HA2 GLY A 128 110.809 20.816 -6.637 1.00 0.00 H new ATOM 0 HA3 GLY A 128 111.991 19.524 -6.564 1.00 0.00 H new ATOM 2087 N ASN A 129 109.566 17.848 -6.110 1.00 0.00 N ATOM 2088 CA ASN A 129 108.577 16.861 -6.630 1.00 0.00 C ATOM 2089 C ASN A 129 107.277 17.576 -6.997 1.00 0.00 C ATOM 2090 O ASN A 129 106.650 17.270 -7.991 1.00 0.00 O ATOM 2091 CB ASN A 129 108.291 15.818 -5.546 1.00 0.00 C ATOM 2092 CG ASN A 129 107.402 14.711 -6.117 1.00 0.00 C ATOM 2093 OD1 ASN A 129 106.194 14.767 -6.001 1.00 0.00 O ATOM 2094 ND2 ASN A 129 107.950 13.698 -6.731 1.00 0.00 N ATOM 0 H ASN A 129 109.886 17.678 -5.156 1.00 0.00 H new ATOM 0 HA ASN A 129 108.983 16.374 -7.517 1.00 0.00 H new ATOM 0 HB2 ASN A 129 109.226 15.394 -5.180 1.00 0.00 H new ATOM 0 HB3 ASN A 129 107.800 16.289 -4.695 1.00 0.00 H new ATOM 0 HD21 ASN A 129 107.364 12.955 -7.112 1.00 0.00 H new ATOM 0 HD22 ASN A 129 108.964 13.649 -6.829 1.00 0.00 H new ATOM 2101 N ARG A 130 106.863 18.522 -6.203 1.00 0.00 N ATOM 2102 CA ARG A 130 105.600 19.246 -6.510 1.00 0.00 C ATOM 2103 C ARG A 130 105.527 20.527 -5.678 1.00 0.00 C ATOM 2104 O ARG A 130 105.556 20.491 -4.464 1.00 0.00 O ATOM 2105 CB ARG A 130 104.412 18.345 -6.171 1.00 0.00 C ATOM 2106 CG ARG A 130 103.115 18.998 -6.648 1.00 0.00 C ATOM 2107 CD ARG A 130 101.934 18.090 -6.304 1.00 0.00 C ATOM 2108 NE ARG A 130 102.055 16.812 -7.062 1.00 0.00 N ATOM 2109 CZ ARG A 130 101.661 16.748 -8.306 1.00 0.00 C ATOM 2110 NH1 ARG A 130 102.492 17.042 -9.269 1.00 0.00 N ATOM 2111 NH2 ARG A 130 100.438 16.388 -8.585 1.00 0.00 N ATOM 0 H ARG A 130 107.344 18.825 -5.356 1.00 0.00 H new ATOM 0 HA ARG A 130 105.574 19.505 -7.568 1.00 0.00 H new ATOM 0 HB2 ARG A 130 104.535 17.371 -6.645 1.00 0.00 H new ATOM 0 HB3 ARG A 130 104.369 18.173 -5.095 1.00 0.00 H new ATOM 0 HG2 ARG A 130 102.989 19.972 -6.175 1.00 0.00 H new ATOM 0 HG3 ARG A 130 103.155 19.169 -7.724 1.00 0.00 H new ATOM 0 HD2 ARG A 130 101.915 17.890 -5.233 1.00 0.00 H new ATOM 0 HD3 ARG A 130 100.996 18.586 -6.552 1.00 0.00 H new ATOM 0 HE ARG A 130 102.446 15.986 -6.609 1.00 0.00 H new ATOM 0 HH11 ARG A 130 103.448 17.321 -9.050 1.00 0.00 H new ATOM 0 HH12 ARG A 130 102.185 16.992 -10.240 1.00 0.00 H new ATOM 0 HH21 ARG A 130 99.790 16.157 -7.832 1.00 0.00 H new ATOM 0 HH22 ARG A 130 100.130 16.338 -9.556 1.00 0.00 H new TER 2125 ARG A 130