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 165:sc= -4.46! USER MOD Set 1.2: A 113 LYS NZ :NH3+ 149:sc= 1.25 (180deg=0.495) USER MOD Set 2.1: A 44 ASN : amide:sc= -3.86! C(o=-7.2!,f=-1.3!) USER MOD Set 2.2: A 101 GLN : amide:sc= -3.29! C(o=-7.2!,f=-0.83!) USER MOD Set 3.1: A 93 SER OG : rot 65:sc= 0.774 USER MOD Set 3.2: A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.536 USER MOD Single : A 9 GLN : amide:sc= -0.0192 K(o=-0.019,f=-1.4) USER MOD Single : A 11 LYS NZ :NH3+ -112:sc= -1.76 (180deg=-4.43!) USER MOD Single : A 12 GLN : amide:sc= -0.859 K(o=-0.86,f=-4.7!) USER MOD Single : A 15 GLN : amide:sc= -3.79! C(o=-3.8!,f=-5.3!) USER MOD Single : A 17 TYR OH : rot 150:sc= -0.102 USER MOD Single : A 20 ASN : amide:sc= -4.79! C(o=-4.8!,f=-12!) 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 50:sc= 0.796 USER MOD Single : A 36 MET CE :methyl -116:sc= -2.61 (180deg=-9.53!) USER MOD Single : A 37 GLN : amide:sc= -0.0201 K(o=-0.02,f=-2.9!) USER MOD Single : A 38 LYS NZ :NH3+ -144:sc= -0.158 (180deg=-0.739) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.00598 USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.406 USER MOD Single : A 61 ASN : amide:sc= -2.6! K(o=-2.6!,f=-0.72) USER MOD Single : A 74 ASN : amide:sc= -5.43! C(o=-5.4!,f=-18!) USER MOD Single : A 75 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.0458) USER MOD Single : A 76 LYS NZ :NH3+ -117:sc= -0.316 (180deg=-1.46) USER MOD Single : A 79 GLN : amide:sc= -3.9! C(o=-3.9!,f=-2.3!) USER MOD Single : A 83 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0826) USER MOD Single : A 86 HIS : no HD1:sc= -4.47! C(o=-4.5!,f=-4.2!) USER MOD Single : A 89 SER OG : rot 14:sc= 0.621 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 70:sc= 0.976 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot 99:sc= 0.0853 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= -0.637 USER MOD Single : A 107 TYR OH : rot 30:sc= -1.27 USER MOD Single : A 111 CYS SG : rot 85:sc= 0.6 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= -0.167 K(o=-0.17,f=-2.3!) USER MOD Single : A 117 SER OG : rot -116:sc= -2.39! USER MOD Single : A 118 THR OG1 : rot 180:sc= -0.0229 USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 129 ASN : amide:sc= -5.07! C(o=-5.1!,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 3 100.553 -13.437 12.335 1.00 0.00 N ATOM 2 CA GLY A 3 101.436 -14.323 13.146 1.00 0.00 C ATOM 3 C GLY A 3 102.898 -13.939 12.914 1.00 0.00 C ATOM 4 O GLY A 3 103.710 -14.756 12.529 1.00 0.00 O ATOM 0 HA2 GLY A 3 101.188 -14.231 14.204 1.00 0.00 H new ATOM 0 HA3 GLY A 3 101.275 -15.365 12.870 1.00 0.00 H new ATOM 8 N TRP A 4 103.240 -12.700 13.146 1.00 0.00 N ATOM 9 CA TRP A 4 104.651 -12.255 12.942 1.00 0.00 C ATOM 10 C TRP A 4 105.407 -12.412 14.268 1.00 0.00 C ATOM 11 O TRP A 4 105.046 -11.818 15.264 1.00 0.00 O ATOM 12 CB TRP A 4 104.638 -10.776 12.509 1.00 0.00 C ATOM 13 CG TRP A 4 105.879 -10.439 11.742 1.00 0.00 C ATOM 14 CD1 TRP A 4 107.013 -9.929 12.274 1.00 0.00 C ATOM 15 CD2 TRP A 4 106.120 -10.568 10.311 1.00 0.00 C ATOM 16 NE1 TRP A 4 107.935 -9.737 11.259 1.00 0.00 N ATOM 17 CE2 TRP A 4 107.431 -10.118 10.031 1.00 0.00 C ATOM 18 CE3 TRP A 4 105.334 -11.028 9.239 1.00 0.00 C ATOM 19 CZ2 TRP A 4 107.945 -10.124 8.733 1.00 0.00 C ATOM 20 CZ3 TRP A 4 105.848 -11.036 7.931 1.00 0.00 C ATOM 21 CH2 TRP A 4 107.150 -10.585 7.679 1.00 0.00 C ATOM 0 H TRP A 4 102.601 -11.974 13.469 1.00 0.00 H new ATOM 0 HA TRP A 4 105.142 -12.852 12.174 1.00 0.00 H new ATOM 0 HB2 TRP A 4 103.760 -10.579 11.894 1.00 0.00 H new ATOM 0 HB3 TRP A 4 104.562 -10.135 13.387 1.00 0.00 H new ATOM 0 HD1 TRP A 4 107.173 -9.708 13.319 1.00 0.00 H new ATOM 0 HE1 TRP A 4 108.872 -9.360 11.401 1.00 0.00 H new ATOM 0 HE3 TRP A 4 104.329 -11.377 9.422 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 108.950 -9.775 8.544 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 105.236 -11.392 7.116 1.00 0.00 H new ATOM 0 HH2 TRP A 4 107.539 -10.593 6.672 1.00 0.00 H new ATOM 32 N SER A 5 106.442 -13.221 14.294 1.00 0.00 N ATOM 33 CA SER A 5 107.215 -13.432 15.565 1.00 0.00 C ATOM 34 C SER A 5 108.572 -12.730 15.476 1.00 0.00 C ATOM 35 O SER A 5 109.068 -12.438 14.408 1.00 0.00 O ATOM 36 CB SER A 5 107.431 -14.931 15.782 1.00 0.00 C ATOM 37 OG SER A 5 108.320 -15.429 14.792 1.00 0.00 O ATOM 0 H SER A 5 106.786 -13.745 13.490 1.00 0.00 H new ATOM 0 HA SER A 5 106.652 -13.015 16.400 1.00 0.00 H new ATOM 0 HB2 SER A 5 107.840 -15.110 16.776 1.00 0.00 H new ATOM 0 HB3 SER A 5 106.478 -15.458 15.729 1.00 0.00 H new ATOM 0 HG SER A 5 108.460 -16.389 14.931 1.00 0.00 H new ATOM 43 N PHE A 6 109.167 -12.446 16.603 1.00 0.00 N ATOM 44 CA PHE A 6 110.490 -11.755 16.608 1.00 0.00 C ATOM 45 C PHE A 6 111.537 -12.596 15.866 1.00 0.00 C ATOM 46 O PHE A 6 112.251 -12.104 15.013 1.00 0.00 O ATOM 47 CB PHE A 6 110.944 -11.553 18.053 1.00 0.00 C ATOM 48 CG PHE A 6 112.264 -10.822 18.068 1.00 0.00 C ATOM 49 CD1 PHE A 6 113.464 -11.542 18.000 1.00 0.00 C ATOM 50 CD2 PHE A 6 112.289 -9.425 18.144 1.00 0.00 C ATOM 51 CE1 PHE A 6 114.688 -10.861 18.010 1.00 0.00 C ATOM 52 CE2 PHE A 6 113.513 -8.745 18.155 1.00 0.00 C ATOM 53 CZ PHE A 6 114.712 -9.463 18.088 1.00 0.00 C ATOM 0 H PHE A 6 108.792 -12.664 17.526 1.00 0.00 H new ATOM 0 HA PHE A 6 110.388 -10.793 16.106 1.00 0.00 H new ATOM 0 HB2 PHE A 6 110.195 -10.985 18.605 1.00 0.00 H new ATOM 0 HB3 PHE A 6 111.044 -12.517 18.552 1.00 0.00 H new ATOM 0 HD1 PHE A 6 113.445 -12.620 17.940 1.00 0.00 H new ATOM 0 HD2 PHE A 6 111.363 -8.871 18.194 1.00 0.00 H new ATOM 0 HE1 PHE A 6 115.614 -11.414 17.958 1.00 0.00 H new ATOM 0 HE2 PHE A 6 113.532 -7.667 18.215 1.00 0.00 H new ATOM 0 HZ PHE A 6 115.656 -8.939 18.096 1.00 0.00 H new ATOM 63 N GLU A 7 111.648 -13.856 16.194 1.00 0.00 N ATOM 64 CA GLU A 7 112.666 -14.711 15.516 1.00 0.00 C ATOM 65 C GLU A 7 112.359 -14.802 14.021 1.00 0.00 C ATOM 66 O GLU A 7 113.217 -15.131 13.227 1.00 0.00 O ATOM 67 CB GLU A 7 112.671 -16.115 16.130 1.00 0.00 C ATOM 68 CG GLU A 7 111.355 -16.830 15.813 1.00 0.00 C ATOM 69 CD GLU A 7 111.274 -18.129 16.617 1.00 0.00 C ATOM 70 OE1 GLU A 7 112.315 -18.717 16.861 1.00 0.00 O ATOM 71 OE2 GLU A 7 110.172 -18.516 16.971 1.00 0.00 O ATOM 0 H GLU A 7 111.081 -14.328 16.898 1.00 0.00 H new ATOM 0 HA GLU A 7 113.649 -14.261 15.653 1.00 0.00 H new ATOM 0 HB2 GLU A 7 113.510 -16.689 15.738 1.00 0.00 H new ATOM 0 HB3 GLU A 7 112.807 -16.048 17.209 1.00 0.00 H new ATOM 0 HG2 GLU A 7 110.511 -16.185 16.057 1.00 0.00 H new ATOM 0 HG3 GLU A 7 111.294 -17.046 14.746 1.00 0.00 H new ATOM 78 N GLU A 8 111.149 -14.518 13.623 1.00 0.00 N ATOM 79 CA GLU A 8 110.827 -14.600 12.172 1.00 0.00 C ATOM 80 C GLU A 8 111.686 -13.581 11.426 1.00 0.00 C ATOM 81 O GLU A 8 112.208 -13.848 10.371 1.00 0.00 O ATOM 82 CB GLU A 8 109.351 -14.271 11.941 1.00 0.00 C ATOM 83 CG GLU A 8 109.007 -14.470 10.461 1.00 0.00 C ATOM 84 CD GLU A 8 107.545 -14.094 10.223 1.00 0.00 C ATOM 85 OE1 GLU A 8 107.093 -13.143 10.838 1.00 0.00 O ATOM 86 OE2 GLU A 8 106.904 -14.762 9.429 1.00 0.00 O ATOM 0 H GLU A 8 110.380 -14.237 14.231 1.00 0.00 H new ATOM 0 HA GLU A 8 111.027 -15.609 11.811 1.00 0.00 H new ATOM 0 HB2 GLU A 8 108.724 -14.912 12.560 1.00 0.00 H new ATOM 0 HB3 GLU A 8 109.146 -13.242 12.238 1.00 0.00 H new ATOM 0 HG2 GLU A 8 109.658 -13.855 9.839 1.00 0.00 H new ATOM 0 HG3 GLU A 8 109.178 -15.507 10.173 1.00 0.00 H new ATOM 93 N GLN A 9 111.850 -12.414 11.972 1.00 0.00 N ATOM 94 CA GLN A 9 112.690 -11.400 11.284 1.00 0.00 C ATOM 95 C GLN A 9 114.145 -11.869 11.308 1.00 0.00 C ATOM 96 O GLN A 9 114.885 -11.722 10.352 1.00 0.00 O ATOM 97 CB GLN A 9 112.570 -10.061 12.014 1.00 0.00 C ATOM 98 CG GLN A 9 111.170 -9.484 11.794 1.00 0.00 C ATOM 99 CD GLN A 9 111.021 -8.183 12.584 1.00 0.00 C ATOM 100 OE1 GLN A 9 111.736 -7.953 13.539 1.00 0.00 O ATOM 101 NE2 GLN A 9 110.116 -7.316 12.222 1.00 0.00 N ATOM 0 H GLN A 9 111.442 -12.118 12.859 1.00 0.00 H new ATOM 0 HA GLN A 9 112.358 -11.277 10.253 1.00 0.00 H new ATOM 0 HB2 GLN A 9 112.755 -10.198 13.079 1.00 0.00 H new ATOM 0 HB3 GLN A 9 113.324 -9.365 11.646 1.00 0.00 H new ATOM 0 HG2 GLN A 9 111.005 -9.298 10.733 1.00 0.00 H new ATOM 0 HG3 GLN A 9 110.415 -10.203 12.112 1.00 0.00 H new ATOM 0 HE21 GLN A 9 109.516 -7.510 11.420 1.00 0.00 H new ATOM 0 HE22 GLN A 9 110.008 -6.444 12.741 1.00 0.00 H new ATOM 110 N PHE A 10 114.558 -12.429 12.409 1.00 0.00 N ATOM 111 CA PHE A 10 115.961 -12.904 12.532 1.00 0.00 C ATOM 112 C PHE A 10 116.232 -14.064 11.557 1.00 0.00 C ATOM 113 O PHE A 10 117.179 -14.030 10.792 1.00 0.00 O ATOM 114 CB PHE A 10 116.181 -13.361 13.977 1.00 0.00 C ATOM 115 CG PHE A 10 117.626 -13.730 14.185 1.00 0.00 C ATOM 116 CD1 PHE A 10 118.561 -12.736 14.498 1.00 0.00 C ATOM 117 CD2 PHE A 10 118.028 -15.065 14.071 1.00 0.00 C ATOM 118 CE1 PHE A 10 119.903 -13.080 14.694 1.00 0.00 C ATOM 119 CE2 PHE A 10 119.372 -15.408 14.268 1.00 0.00 C ATOM 120 CZ PHE A 10 120.309 -14.415 14.579 1.00 0.00 C ATOM 0 H PHE A 10 113.978 -12.579 13.235 1.00 0.00 H new ATOM 0 HA PHE A 10 116.649 -12.097 12.281 1.00 0.00 H new ATOM 0 HB2 PHE A 10 115.897 -12.566 14.666 1.00 0.00 H new ATOM 0 HB3 PHE A 10 115.543 -14.217 14.198 1.00 0.00 H new ATOM 0 HD1 PHE A 10 118.247 -11.707 14.588 1.00 0.00 H new ATOM 0 HD2 PHE A 10 117.304 -15.830 13.832 1.00 0.00 H new ATOM 0 HE1 PHE A 10 120.626 -12.315 14.934 1.00 0.00 H new ATOM 0 HE2 PHE A 10 119.685 -16.438 14.180 1.00 0.00 H new ATOM 0 HZ PHE A 10 121.345 -14.679 14.730 1.00 0.00 H new ATOM 130 N LYS A 11 115.418 -15.089 11.564 1.00 0.00 N ATOM 131 CA LYS A 11 115.662 -16.226 10.622 1.00 0.00 C ATOM 132 C LYS A 11 115.572 -15.724 9.176 1.00 0.00 C ATOM 133 O LYS A 11 116.246 -16.222 8.296 1.00 0.00 O ATOM 134 CB LYS A 11 114.650 -17.354 10.866 1.00 0.00 C ATOM 135 CG LYS A 11 113.273 -16.962 10.330 1.00 0.00 C ATOM 136 CD LYS A 11 112.221 -17.962 10.825 1.00 0.00 C ATOM 137 CE LYS A 11 112.474 -19.347 10.214 1.00 0.00 C ATOM 138 NZ LYS A 11 113.536 -20.048 10.990 1.00 0.00 N ATOM 0 H LYS A 11 114.605 -15.189 12.172 1.00 0.00 H new ATOM 0 HA LYS A 11 116.661 -16.625 10.797 1.00 0.00 H new ATOM 0 HB2 LYS A 11 114.990 -18.268 10.378 1.00 0.00 H new ATOM 0 HB3 LYS A 11 114.584 -17.567 11.933 1.00 0.00 H new ATOM 0 HG2 LYS A 11 113.016 -15.956 10.661 1.00 0.00 H new ATOM 0 HG3 LYS A 11 113.288 -16.945 9.240 1.00 0.00 H new ATOM 0 HD2 LYS A 11 112.253 -18.025 11.913 1.00 0.00 H new ATOM 0 HD3 LYS A 11 111.224 -17.615 10.555 1.00 0.00 H new ATOM 0 HE2 LYS A 11 111.555 -19.933 10.223 1.00 0.00 H new ATOM 0 HE3 LYS A 11 112.777 -19.246 9.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 114.389 -20.145 10.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 113.764 -19.497 11.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 113.198 -20.991 11.268 1.00 0.00 H new ATOM 152 N GLN A 12 114.754 -14.735 8.921 1.00 0.00 N ATOM 153 CA GLN A 12 114.644 -14.207 7.530 1.00 0.00 C ATOM 154 C GLN A 12 116.023 -13.710 7.089 1.00 0.00 C ATOM 155 O GLN A 12 116.372 -13.750 5.929 1.00 0.00 O ATOM 156 CB GLN A 12 113.620 -13.064 7.470 1.00 0.00 C ATOM 157 CG GLN A 12 112.201 -13.646 7.405 1.00 0.00 C ATOM 158 CD GLN A 12 111.174 -12.529 7.607 1.00 0.00 C ATOM 159 OE1 GLN A 12 111.502 -11.468 8.096 1.00 0.00 O ATOM 160 NE2 GLN A 12 109.935 -12.727 7.254 1.00 0.00 N ATOM 0 H GLN A 12 114.162 -14.274 9.611 1.00 0.00 H new ATOM 0 HA GLN A 12 114.304 -14.997 6.861 1.00 0.00 H new ATOM 0 HB2 GLN A 12 113.722 -12.425 8.347 1.00 0.00 H new ATOM 0 HB3 GLN A 12 113.808 -12.439 6.597 1.00 0.00 H new ATOM 0 HG2 GLN A 12 112.040 -14.131 6.442 1.00 0.00 H new ATOM 0 HG3 GLN A 12 112.076 -14.411 8.172 1.00 0.00 H new ATOM 0 HE21 GLN A 12 109.658 -13.618 6.843 1.00 0.00 H new ATOM 0 HE22 GLN A 12 109.242 -11.990 7.389 1.00 0.00 H new ATOM 169 N VAL A 13 116.822 -13.253 8.004 1.00 0.00 N ATOM 170 CA VAL A 13 118.182 -12.793 7.612 1.00 0.00 C ATOM 171 C VAL A 13 119.011 -14.016 7.207 1.00 0.00 C ATOM 172 O VAL A 13 119.768 -13.980 6.261 1.00 0.00 O ATOM 173 CB VAL A 13 118.848 -12.054 8.776 1.00 0.00 C ATOM 174 CG1 VAL A 13 120.327 -11.802 8.455 1.00 0.00 C ATOM 175 CG2 VAL A 13 118.139 -10.714 8.995 1.00 0.00 C ATOM 0 H VAL A 13 116.599 -13.177 8.996 1.00 0.00 H new ATOM 0 HA VAL A 13 118.113 -12.102 6.772 1.00 0.00 H new ATOM 0 HB VAL A 13 118.776 -12.661 9.678 1.00 0.00 H new ATOM 0 HG11 VAL A 13 120.795 -11.276 9.287 1.00 0.00 H new ATOM 0 HG12 VAL A 13 120.833 -12.755 8.297 1.00 0.00 H new ATOM 0 HG13 VAL A 13 120.405 -11.196 7.552 1.00 0.00 H new ATOM 0 HG21 VAL A 13 118.610 -10.184 9.823 1.00 0.00 H new ATOM 0 HG22 VAL A 13 118.213 -10.111 8.090 1.00 0.00 H new ATOM 0 HG23 VAL A 13 117.089 -10.892 9.228 1.00 0.00 H new ATOM 185 N ARG A 14 118.877 -15.101 7.916 1.00 0.00 N ATOM 186 CA ARG A 14 119.660 -16.321 7.558 1.00 0.00 C ATOM 187 C ARG A 14 119.413 -16.675 6.091 1.00 0.00 C ATOM 188 O ARG A 14 120.340 -16.910 5.342 1.00 0.00 O ATOM 189 CB ARG A 14 119.214 -17.478 8.461 1.00 0.00 C ATOM 190 CG ARG A 14 120.001 -18.751 8.130 1.00 0.00 C ATOM 191 CD ARG A 14 119.533 -19.885 9.047 1.00 0.00 C ATOM 192 NE ARG A 14 120.301 -21.131 8.739 1.00 0.00 N ATOM 193 CZ ARG A 14 121.370 -21.435 9.429 1.00 0.00 C ATOM 194 NH1 ARG A 14 121.338 -21.394 10.733 1.00 0.00 N ATOM 195 NH2 ARG A 14 122.467 -21.782 8.813 1.00 0.00 N ATOM 0 H ARG A 14 118.263 -15.198 8.725 1.00 0.00 H new ATOM 0 HA ARG A 14 120.725 -16.137 7.701 1.00 0.00 H new ATOM 0 HB2 ARG A 14 119.366 -17.211 9.507 1.00 0.00 H new ATOM 0 HB3 ARG A 14 118.147 -17.659 8.330 1.00 0.00 H new ATOM 0 HG2 ARG A 14 119.850 -19.025 7.086 1.00 0.00 H new ATOM 0 HG3 ARG A 14 121.069 -18.577 8.262 1.00 0.00 H new ATOM 0 HD2 ARG A 14 119.678 -19.605 10.090 1.00 0.00 H new ATOM 0 HD3 ARG A 14 118.466 -20.060 8.909 1.00 0.00 H new ATOM 0 HE ARG A 14 119.990 -21.746 7.988 1.00 0.00 H new ATOM 0 HH11 ARG A 14 120.480 -21.125 11.214 1.00 0.00 H new ATOM 0 HH12 ARG A 14 122.171 -21.631 11.271 1.00 0.00 H new ATOM 0 HH21 ARG A 14 122.491 -21.816 7.794 1.00 0.00 H new ATOM 0 HH22 ARG A 14 123.301 -22.019 9.351 1.00 0.00 H new ATOM 209 N GLN A 15 118.182 -16.721 5.666 1.00 0.00 N ATOM 210 CA GLN A 15 117.919 -17.063 4.242 1.00 0.00 C ATOM 211 C GLN A 15 118.536 -16.000 3.314 1.00 0.00 C ATOM 212 O GLN A 15 118.829 -16.285 2.171 1.00 0.00 O ATOM 213 CB GLN A 15 116.415 -17.190 3.987 1.00 0.00 C ATOM 214 CG GLN A 15 115.709 -15.959 4.511 1.00 0.00 C ATOM 215 CD GLN A 15 114.206 -16.076 4.257 1.00 0.00 C ATOM 216 OE1 GLN A 15 113.465 -15.137 4.469 1.00 0.00 O ATOM 217 NE2 GLN A 15 113.719 -17.202 3.809 1.00 0.00 N ATOM 0 H GLN A 15 117.356 -16.539 6.235 1.00 0.00 H new ATOM 0 HA GLN A 15 118.384 -18.025 4.026 1.00 0.00 H new ATOM 0 HB2 GLN A 15 116.225 -17.305 2.920 1.00 0.00 H new ATOM 0 HB3 GLN A 15 116.026 -18.082 4.478 1.00 0.00 H new ATOM 0 HG2 GLN A 15 115.899 -15.846 5.578 1.00 0.00 H new ATOM 0 HG3 GLN A 15 116.101 -15.068 4.022 1.00 0.00 H new ATOM 0 HE21 GLN A 15 114.340 -17.991 3.631 1.00 0.00 H new ATOM 0 HE22 GLN A 15 112.718 -17.292 3.638 1.00 0.00 H new ATOM 226 N LEU A 16 118.741 -14.779 3.771 1.00 0.00 N ATOM 227 CA LEU A 16 119.341 -13.752 2.852 1.00 0.00 C ATOM 228 C LEU A 16 120.755 -14.188 2.460 1.00 0.00 C ATOM 229 O LEU A 16 121.140 -14.118 1.310 1.00 0.00 O ATOM 230 CB LEU A 16 119.448 -12.385 3.545 1.00 0.00 C ATOM 231 CG LEU A 16 118.060 -11.762 3.768 1.00 0.00 C ATOM 232 CD1 LEU A 16 118.204 -10.462 4.588 1.00 0.00 C ATOM 233 CD2 LEU A 16 117.393 -11.442 2.416 1.00 0.00 C ATOM 0 H LEU A 16 118.525 -14.457 4.714 1.00 0.00 H new ATOM 0 HA LEU A 16 118.696 -13.667 1.977 1.00 0.00 H new ATOM 0 HB2 LEU A 16 119.956 -12.499 4.503 1.00 0.00 H new ATOM 0 HB3 LEU A 16 120.057 -11.714 2.939 1.00 0.00 H new ATOM 0 HG LEU A 16 117.438 -12.474 4.310 1.00 0.00 H new ATOM 0 HD11 LEU A 16 117.220 -10.021 4.746 1.00 0.00 H new ATOM 0 HD12 LEU A 16 118.659 -10.689 5.552 1.00 0.00 H new ATOM 0 HD13 LEU A 16 118.835 -9.758 4.046 1.00 0.00 H new ATOM 0 HD21 LEU A 16 116.411 -11.002 2.590 1.00 0.00 H new ATOM 0 HD22 LEU A 16 118.014 -10.738 1.862 1.00 0.00 H new ATOM 0 HD23 LEU A 16 117.282 -12.360 1.839 1.00 0.00 H new ATOM 245 N TYR A 17 121.533 -14.636 3.403 1.00 0.00 N ATOM 246 CA TYR A 17 122.919 -15.075 3.073 1.00 0.00 C ATOM 247 C TYR A 17 122.864 -16.366 2.257 1.00 0.00 C ATOM 248 O TYR A 17 123.643 -16.573 1.348 1.00 0.00 O ATOM 249 CB TYR A 17 123.704 -15.317 4.366 1.00 0.00 C ATOM 250 CG TYR A 17 124.041 -13.996 5.016 1.00 0.00 C ATOM 251 CD1 TYR A 17 123.162 -13.419 5.942 1.00 0.00 C ATOM 252 CD2 TYR A 17 125.242 -13.352 4.696 1.00 0.00 C ATOM 253 CE1 TYR A 17 123.487 -12.197 6.545 1.00 0.00 C ATOM 254 CE2 TYR A 17 125.565 -12.131 5.298 1.00 0.00 C ATOM 255 CZ TYR A 17 124.688 -11.553 6.223 1.00 0.00 C ATOM 256 OH TYR A 17 125.008 -10.350 6.817 1.00 0.00 O ATOM 0 H TYR A 17 121.272 -14.718 4.386 1.00 0.00 H new ATOM 0 HA TYR A 17 123.416 -14.299 2.491 1.00 0.00 H new ATOM 0 HB2 TYR A 17 123.116 -15.929 5.050 1.00 0.00 H new ATOM 0 HB3 TYR A 17 124.618 -15.869 4.149 1.00 0.00 H new ATOM 0 HD1 TYR A 17 122.236 -13.915 6.190 1.00 0.00 H new ATOM 0 HD2 TYR A 17 125.920 -13.798 3.984 1.00 0.00 H new ATOM 0 HE1 TYR A 17 122.810 -11.751 7.259 1.00 0.00 H new ATOM 0 HE2 TYR A 17 126.491 -11.634 5.049 1.00 0.00 H new ATOM 0 HH TYR A 17 125.982 -10.270 6.889 1.00 0.00 H new ATOM 266 N GLU A 18 121.956 -17.244 2.583 1.00 0.00 N ATOM 267 CA GLU A 18 121.858 -18.534 1.834 1.00 0.00 C ATOM 268 C GLU A 18 121.548 -18.282 0.349 1.00 0.00 C ATOM 269 O GLU A 18 121.645 -19.179 -0.465 1.00 0.00 O ATOM 270 CB GLU A 18 120.742 -19.387 2.432 1.00 0.00 C ATOM 271 CG GLU A 18 121.105 -19.776 3.866 1.00 0.00 C ATOM 272 CD GLU A 18 122.263 -20.775 3.843 1.00 0.00 C ATOM 273 OE1 GLU A 18 122.213 -21.690 3.038 1.00 0.00 O ATOM 274 OE2 GLU A 18 123.181 -20.607 4.629 1.00 0.00 O ATOM 0 H GLU A 18 121.277 -17.126 3.335 1.00 0.00 H new ATOM 0 HA GLU A 18 122.815 -19.050 1.914 1.00 0.00 H new ATOM 0 HB2 GLU A 18 119.803 -18.834 2.421 1.00 0.00 H new ATOM 0 HB3 GLU A 18 120.592 -20.282 1.829 1.00 0.00 H new ATOM 0 HG2 GLU A 18 121.386 -18.890 4.435 1.00 0.00 H new ATOM 0 HG3 GLU A 18 120.241 -20.215 4.365 1.00 0.00 H new ATOM 281 N ILE A 19 121.160 -17.089 -0.016 1.00 0.00 N ATOM 282 CA ILE A 19 120.831 -16.828 -1.450 1.00 0.00 C ATOM 283 C ILE A 19 122.006 -17.245 -2.341 1.00 0.00 C ATOM 284 O ILE A 19 121.822 -17.879 -3.361 1.00 0.00 O ATOM 285 CB ILE A 19 120.539 -15.336 -1.654 1.00 0.00 C ATOM 286 CG1 ILE A 19 119.249 -14.967 -0.917 1.00 0.00 C ATOM 287 CG2 ILE A 19 120.372 -15.044 -3.149 1.00 0.00 C ATOM 288 CD1 ILE A 19 119.078 -13.446 -0.901 1.00 0.00 C ATOM 0 H ILE A 19 121.057 -16.290 0.609 1.00 0.00 H new ATOM 0 HA ILE A 19 119.950 -17.410 -1.721 1.00 0.00 H new ATOM 0 HB ILE A 19 121.368 -14.747 -1.261 1.00 0.00 H new ATOM 0 HG12 ILE A 19 118.394 -15.433 -1.406 1.00 0.00 H new ATOM 0 HG13 ILE A 19 119.280 -15.349 0.103 1.00 0.00 H new ATOM 0 HG21 ILE A 19 120.165 -13.983 -3.292 1.00 0.00 H new ATOM 0 HG22 ILE A 19 121.289 -15.309 -3.676 1.00 0.00 H new ATOM 0 HG23 ILE A 19 119.544 -15.632 -3.544 1.00 0.00 H new ATOM 0 HD11 ILE A 19 118.158 -13.189 -0.375 1.00 0.00 H new ATOM 0 HD12 ILE A 19 119.927 -12.990 -0.392 1.00 0.00 H new ATOM 0 HD13 ILE A 19 119.027 -13.075 -1.925 1.00 0.00 H new ATOM 300 N ASN A 20 123.207 -16.897 -1.975 1.00 0.00 N ATOM 301 CA ASN A 20 124.374 -17.279 -2.813 1.00 0.00 C ATOM 302 C ASN A 20 125.664 -16.957 -2.062 1.00 0.00 C ATOM 303 O ASN A 20 125.658 -16.252 -1.072 1.00 0.00 O ATOM 304 CB ASN A 20 124.329 -16.495 -4.126 1.00 0.00 C ATOM 305 CG ASN A 20 124.146 -15.006 -3.825 1.00 0.00 C ATOM 306 OD1 ASN A 20 123.865 -14.632 -2.705 1.00 0.00 O ATOM 307 ND2 ASN A 20 124.293 -14.135 -4.786 1.00 0.00 N ATOM 0 H ASN A 20 123.430 -16.366 -1.133 1.00 0.00 H new ATOM 0 HA ASN A 20 124.341 -18.347 -3.028 1.00 0.00 H new ATOM 0 HB2 ASN A 20 125.250 -16.653 -4.688 1.00 0.00 H new ATOM 0 HB3 ASN A 20 123.510 -16.854 -4.749 1.00 0.00 H new ATOM 0 HD21 ASN A 20 124.172 -13.140 -4.596 1.00 0.00 H new ATOM 0 HD22 ASN A 20 124.529 -14.449 -5.727 1.00 0.00 H new ATOM 314 N ASP A 21 126.772 -17.469 -2.521 1.00 0.00 N ATOM 315 CA ASP A 21 128.069 -17.199 -1.834 1.00 0.00 C ATOM 316 C ASP A 21 128.731 -15.982 -2.475 1.00 0.00 C ATOM 317 O ASP A 21 129.924 -15.779 -2.356 1.00 0.00 O ATOM 318 CB ASP A 21 128.990 -18.411 -1.982 1.00 0.00 C ATOM 319 CG ASP A 21 129.271 -18.660 -3.465 1.00 0.00 C ATOM 320 OD1 ASP A 21 128.323 -18.893 -4.197 1.00 0.00 O ATOM 321 OD2 ASP A 21 130.430 -18.616 -3.844 1.00 0.00 O ATOM 0 H ASP A 21 126.837 -18.066 -3.346 1.00 0.00 H new ATOM 0 HA ASP A 21 127.888 -17.008 -0.776 1.00 0.00 H new ATOM 0 HB2 ASP A 21 129.924 -18.239 -1.448 1.00 0.00 H new ATOM 0 HB3 ASP A 21 128.526 -19.291 -1.536 1.00 0.00 H new ATOM 326 N ASP A 22 127.974 -15.170 -3.161 1.00 0.00 N ATOM 327 CA ASP A 22 128.579 -13.974 -3.806 1.00 0.00 C ATOM 328 C ASP A 22 129.333 -13.161 -2.726 1.00 0.00 C ATOM 329 O ASP A 22 128.726 -12.742 -1.760 1.00 0.00 O ATOM 330 CB ASP A 22 127.466 -13.113 -4.410 1.00 0.00 C ATOM 331 CG ASP A 22 126.954 -13.762 -5.697 1.00 0.00 C ATOM 332 OD1 ASP A 22 126.865 -14.978 -5.730 1.00 0.00 O ATOM 333 OD2 ASP A 22 126.660 -13.031 -6.629 1.00 0.00 O ATOM 0 H ASP A 22 126.970 -15.283 -3.301 1.00 0.00 H new ATOM 0 HA ASP A 22 129.270 -14.277 -4.593 1.00 0.00 H new ATOM 0 HB2 ASP A 22 126.649 -13.004 -3.696 1.00 0.00 H new ATOM 0 HB3 ASP A 22 127.841 -12.112 -4.621 1.00 0.00 H new ATOM 338 N PRO A 23 130.636 -12.936 -2.848 1.00 0.00 N ATOM 339 CA PRO A 23 131.365 -12.166 -1.796 1.00 0.00 C ATOM 340 C PRO A 23 130.804 -10.749 -1.595 1.00 0.00 C ATOM 341 O PRO A 23 130.649 -10.288 -0.482 1.00 0.00 O ATOM 342 CB PRO A 23 132.815 -12.131 -2.328 1.00 0.00 C ATOM 343 CG PRO A 23 132.867 -12.881 -3.674 1.00 0.00 C ATOM 344 CD PRO A 23 131.460 -13.415 -3.999 1.00 0.00 C ATOM 0 HA PRO A 23 131.273 -12.626 -0.812 1.00 0.00 H new ATOM 0 HB2 PRO A 23 133.145 -11.100 -2.457 1.00 0.00 H new ATOM 0 HB3 PRO A 23 133.492 -12.595 -1.611 1.00 0.00 H new ATOM 0 HG2 PRO A 23 133.209 -12.214 -4.465 1.00 0.00 H new ATOM 0 HG3 PRO A 23 133.580 -13.704 -3.620 1.00 0.00 H new ATOM 0 HD2 PRO A 23 131.091 -13.025 -4.948 1.00 0.00 H new ATOM 0 HD3 PRO A 23 131.450 -14.502 -4.076 1.00 0.00 H new ATOM 352 N LYS A 24 130.513 -10.050 -2.657 1.00 0.00 N ATOM 353 CA LYS A 24 129.981 -8.667 -2.505 1.00 0.00 C ATOM 354 C LYS A 24 128.672 -8.697 -1.712 1.00 0.00 C ATOM 355 O LYS A 24 128.459 -7.894 -0.826 1.00 0.00 O ATOM 356 CB LYS A 24 129.733 -8.063 -3.888 1.00 0.00 C ATOM 357 CG LYS A 24 131.076 -7.791 -4.571 1.00 0.00 C ATOM 358 CD LYS A 24 130.853 -7.483 -6.056 1.00 0.00 C ATOM 359 CE LYS A 24 129.958 -6.249 -6.205 1.00 0.00 C ATOM 360 NZ LYS A 24 130.088 -5.713 -7.590 1.00 0.00 N ATOM 0 H LYS A 24 130.620 -10.374 -3.618 1.00 0.00 H new ATOM 0 HA LYS A 24 130.708 -8.058 -1.967 1.00 0.00 H new ATOM 0 HB2 LYS A 24 129.136 -8.745 -4.493 1.00 0.00 H new ATOM 0 HB3 LYS A 24 129.165 -7.137 -3.796 1.00 0.00 H new ATOM 0 HG2 LYS A 24 131.576 -6.952 -4.088 1.00 0.00 H new ATOM 0 HG3 LYS A 24 131.730 -8.656 -4.464 1.00 0.00 H new ATOM 0 HD2 LYS A 24 131.810 -7.310 -6.548 1.00 0.00 H new ATOM 0 HD3 LYS A 24 130.392 -8.339 -6.548 1.00 0.00 H new ATOM 0 HE2 LYS A 24 128.920 -6.511 -6.000 1.00 0.00 H new ATOM 0 HE3 LYS A 24 130.244 -5.488 -5.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 129.482 -4.875 -7.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 131.078 -5.449 -7.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 129.795 -6.441 -8.273 1.00 0.00 H new ATOM 374 N ARG A 25 127.795 -9.614 -2.014 1.00 0.00 N ATOM 375 CA ARG A 25 126.513 -9.676 -1.259 1.00 0.00 C ATOM 376 C ARG A 25 126.787 -10.146 0.173 1.00 0.00 C ATOM 377 O ARG A 25 126.304 -9.567 1.126 1.00 0.00 O ATOM 378 CB ARG A 25 125.555 -10.640 -1.957 1.00 0.00 C ATOM 379 CG ARG A 25 124.227 -10.695 -1.196 1.00 0.00 C ATOM 380 CD ARG A 25 123.161 -11.344 -2.081 1.00 0.00 C ATOM 381 NE ARG A 25 122.789 -10.403 -3.177 1.00 0.00 N ATOM 382 CZ ARG A 25 122.088 -10.825 -4.194 1.00 0.00 C ATOM 383 NH1 ARG A 25 122.084 -12.092 -4.508 1.00 0.00 N ATOM 384 NH2 ARG A 25 121.388 -9.977 -4.900 1.00 0.00 N ATOM 0 H ARG A 25 127.909 -10.317 -2.744 1.00 0.00 H new ATOM 0 HA ARG A 25 126.057 -8.686 -1.227 1.00 0.00 H new ATOM 0 HB2 ARG A 25 125.383 -10.316 -2.984 1.00 0.00 H new ATOM 0 HB3 ARG A 25 125.998 -11.635 -2.006 1.00 0.00 H new ATOM 0 HG2 ARG A 25 124.347 -11.265 -0.274 1.00 0.00 H new ATOM 0 HG3 ARG A 25 123.916 -9.690 -0.911 1.00 0.00 H new ATOM 0 HD2 ARG A 25 123.539 -12.277 -2.500 1.00 0.00 H new ATOM 0 HD3 ARG A 25 122.282 -11.594 -1.487 1.00 0.00 H new ATOM 0 HE ARG A 25 123.083 -9.427 -3.132 1.00 0.00 H new ATOM 0 HH11 ARG A 25 122.630 -12.755 -3.958 1.00 0.00 H new ATOM 0 HH12 ARG A 25 121.535 -12.419 -5.303 1.00 0.00 H new ATOM 0 HH21 ARG A 25 121.390 -8.987 -4.656 1.00 0.00 H new ATOM 0 HH22 ARG A 25 120.840 -10.305 -5.695 1.00 0.00 H new ATOM 398 N LYS A 26 127.572 -11.181 0.336 1.00 0.00 N ATOM 399 CA LYS A 26 127.881 -11.662 1.711 1.00 0.00 C ATOM 400 C LYS A 26 128.566 -10.535 2.485 1.00 0.00 C ATOM 401 O LYS A 26 128.184 -10.197 3.587 1.00 0.00 O ATOM 402 CB LYS A 26 128.820 -12.871 1.624 1.00 0.00 C ATOM 403 CG LYS A 26 129.136 -13.394 3.030 1.00 0.00 C ATOM 404 CD LYS A 26 130.074 -14.600 2.926 1.00 0.00 C ATOM 405 CE LYS A 26 130.358 -15.162 4.324 1.00 0.00 C ATOM 406 NZ LYS A 26 129.239 -16.058 4.734 1.00 0.00 N ATOM 0 H LYS A 26 128.008 -11.709 -0.420 1.00 0.00 H new ATOM 0 HA LYS A 26 126.963 -11.954 2.221 1.00 0.00 H new ATOM 0 HB2 LYS A 26 128.357 -13.659 1.030 1.00 0.00 H new ATOM 0 HB3 LYS A 26 129.742 -12.589 1.116 1.00 0.00 H new ATOM 0 HG2 LYS A 26 129.601 -12.609 3.626 1.00 0.00 H new ATOM 0 HG3 LYS A 26 128.215 -13.678 3.539 1.00 0.00 H new ATOM 0 HD2 LYS A 26 129.623 -15.370 2.300 1.00 0.00 H new ATOM 0 HD3 LYS A 26 131.007 -14.305 2.446 1.00 0.00 H new ATOM 0 HE2 LYS A 26 131.298 -15.714 4.322 1.00 0.00 H new ATOM 0 HE3 LYS A 26 130.468 -14.348 5.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 129.430 -16.440 5.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 128.350 -15.518 4.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 129.155 -16.842 4.055 1.00 0.00 H new ATOM 420 N GLU A 27 129.580 -9.952 1.906 1.00 0.00 N ATOM 421 CA GLU A 27 130.301 -8.844 2.590 1.00 0.00 C ATOM 422 C GLU A 27 129.363 -7.647 2.764 1.00 0.00 C ATOM 423 O GLU A 27 129.334 -7.013 3.801 1.00 0.00 O ATOM 424 CB GLU A 27 131.507 -8.434 1.741 1.00 0.00 C ATOM 425 CG GLU A 27 132.300 -7.339 2.458 1.00 0.00 C ATOM 426 CD GLU A 27 133.529 -6.972 1.624 1.00 0.00 C ATOM 427 OE1 GLU A 27 133.784 -7.658 0.647 1.00 0.00 O ATOM 428 OE2 GLU A 27 134.195 -6.013 1.976 1.00 0.00 O ATOM 0 H GLU A 27 129.941 -10.198 0.984 1.00 0.00 H new ATOM 0 HA GLU A 27 130.638 -9.177 3.572 1.00 0.00 H new ATOM 0 HB2 GLU A 27 132.146 -9.298 1.560 1.00 0.00 H new ATOM 0 HB3 GLU A 27 131.173 -8.075 0.768 1.00 0.00 H new ATOM 0 HG2 GLU A 27 131.673 -6.460 2.608 1.00 0.00 H new ATOM 0 HG3 GLU A 27 132.607 -7.684 3.445 1.00 0.00 H new ATOM 435 N PHE A 28 128.603 -7.328 1.752 1.00 0.00 N ATOM 436 CA PHE A 28 127.672 -6.168 1.844 1.00 0.00 C ATOM 437 C PHE A 28 126.664 -6.373 2.982 1.00 0.00 C ATOM 438 O PHE A 28 126.455 -5.494 3.794 1.00 0.00 O ATOM 439 CB PHE A 28 126.922 -6.005 0.518 1.00 0.00 C ATOM 440 CG PHE A 28 125.830 -4.975 0.688 1.00 0.00 C ATOM 441 CD1 PHE A 28 124.612 -5.355 1.259 1.00 0.00 C ATOM 442 CD2 PHE A 28 126.043 -3.647 0.305 1.00 0.00 C ATOM 443 CE1 PHE A 28 123.603 -4.410 1.447 1.00 0.00 C ATOM 444 CE2 PHE A 28 125.031 -2.697 0.496 1.00 0.00 C ATOM 445 CZ PHE A 28 123.811 -3.081 1.068 1.00 0.00 C ATOM 0 H PHE A 28 128.587 -7.824 0.861 1.00 0.00 H new ATOM 0 HA PHE A 28 128.254 -5.270 2.051 1.00 0.00 H new ATOM 0 HB2 PHE A 28 127.611 -5.695 -0.268 1.00 0.00 H new ATOM 0 HB3 PHE A 28 126.494 -6.959 0.209 1.00 0.00 H new ATOM 0 HD1 PHE A 28 124.452 -6.381 1.555 1.00 0.00 H new ATOM 0 HD2 PHE A 28 126.984 -3.355 -0.136 1.00 0.00 H new ATOM 0 HE1 PHE A 28 122.661 -4.705 1.885 1.00 0.00 H new ATOM 0 HE2 PHE A 28 125.191 -1.670 0.203 1.00 0.00 H new ATOM 0 HZ PHE A 28 123.031 -2.349 1.216 1.00 0.00 H new ATOM 455 N LEU A 29 126.016 -7.505 3.039 1.00 0.00 N ATOM 456 CA LEU A 29 125.010 -7.710 4.119 1.00 0.00 C ATOM 457 C LEU A 29 125.700 -7.550 5.469 1.00 0.00 C ATOM 458 O LEU A 29 125.176 -6.933 6.374 1.00 0.00 O ATOM 459 CB LEU A 29 124.406 -9.121 4.017 1.00 0.00 C ATOM 460 CG LEU A 29 123.504 -9.236 2.768 1.00 0.00 C ATOM 461 CD1 LEU A 29 123.405 -10.705 2.336 1.00 0.00 C ATOM 462 CD2 LEU A 29 122.088 -8.723 3.086 1.00 0.00 C ATOM 0 H LEU A 29 126.137 -8.286 2.394 1.00 0.00 H new ATOM 0 HA LEU A 29 124.211 -6.976 4.016 1.00 0.00 H new ATOM 0 HB2 LEU A 29 125.204 -9.862 3.966 1.00 0.00 H new ATOM 0 HB3 LEU A 29 123.825 -9.340 4.913 1.00 0.00 H new ATOM 0 HG LEU A 29 123.941 -8.637 1.969 1.00 0.00 H new ATOM 0 HD11 LEU A 29 122.768 -10.783 1.455 1.00 0.00 H new ATOM 0 HD12 LEU A 29 124.400 -11.082 2.099 1.00 0.00 H new ATOM 0 HD13 LEU A 29 122.977 -11.295 3.147 1.00 0.00 H new ATOM 0 HD21 LEU A 29 121.462 -8.809 2.198 1.00 0.00 H new ATOM 0 HD22 LEU A 29 121.658 -9.317 3.892 1.00 0.00 H new ATOM 0 HD23 LEU A 29 122.140 -7.679 3.393 1.00 0.00 H new ATOM 474 N ASP A 30 126.878 -8.079 5.610 1.00 0.00 N ATOM 475 CA ASP A 30 127.597 -7.938 6.901 1.00 0.00 C ATOM 476 C ASP A 30 127.811 -6.450 7.199 1.00 0.00 C ATOM 477 O ASP A 30 127.673 -6.008 8.322 1.00 0.00 O ATOM 478 CB ASP A 30 128.953 -8.642 6.804 1.00 0.00 C ATOM 479 CG ASP A 30 129.707 -8.506 8.130 1.00 0.00 C ATOM 480 OD1 ASP A 30 129.303 -7.689 8.941 1.00 0.00 O ATOM 481 OD2 ASP A 30 130.674 -9.226 8.314 1.00 0.00 O ATOM 0 H ASP A 30 127.374 -8.602 4.889 1.00 0.00 H new ATOM 0 HA ASP A 30 127.011 -8.389 7.702 1.00 0.00 H new ATOM 0 HB2 ASP A 30 128.809 -9.695 6.564 1.00 0.00 H new ATOM 0 HB3 ASP A 30 129.541 -8.208 5.995 1.00 0.00 H new ATOM 486 N ASP A 31 128.160 -5.677 6.205 1.00 0.00 N ATOM 487 CA ASP A 31 128.399 -4.222 6.439 1.00 0.00 C ATOM 488 C ASP A 31 127.076 -3.479 6.689 1.00 0.00 C ATOM 489 O ASP A 31 126.954 -2.728 7.634 1.00 0.00 O ATOM 490 CB ASP A 31 129.109 -3.621 5.223 1.00 0.00 C ATOM 491 CG ASP A 31 129.577 -2.203 5.556 1.00 0.00 C ATOM 492 OD1 ASP A 31 128.970 -1.587 6.417 1.00 0.00 O ATOM 493 OD2 ASP A 31 130.532 -1.756 4.942 1.00 0.00 O ATOM 0 H ASP A 31 128.290 -5.989 5.243 1.00 0.00 H new ATOM 0 HA ASP A 31 129.024 -4.111 7.325 1.00 0.00 H new ATOM 0 HB2 ASP A 31 129.961 -4.240 4.943 1.00 0.00 H new ATOM 0 HB3 ASP A 31 128.434 -3.601 4.367 1.00 0.00 H new ATOM 498 N LEU A 32 126.084 -3.665 5.859 1.00 0.00 N ATOM 499 CA LEU A 32 124.797 -2.943 6.093 1.00 0.00 C ATOM 500 C LEU A 32 124.225 -3.334 7.460 1.00 0.00 C ATOM 501 O LEU A 32 123.889 -2.486 8.262 1.00 0.00 O ATOM 502 CB LEU A 32 123.802 -3.276 4.970 1.00 0.00 C ATOM 503 CG LEU A 32 122.400 -2.752 5.315 1.00 0.00 C ATOM 504 CD1 LEU A 32 122.461 -1.263 5.682 1.00 0.00 C ATOM 505 CD2 LEU A 32 121.493 -2.938 4.097 1.00 0.00 C ATOM 0 H LEU A 32 126.106 -4.275 5.042 1.00 0.00 H new ATOM 0 HA LEU A 32 124.976 -1.868 6.088 1.00 0.00 H new ATOM 0 HB2 LEU A 32 124.141 -2.833 4.034 1.00 0.00 H new ATOM 0 HB3 LEU A 32 123.765 -4.355 4.818 1.00 0.00 H new ATOM 0 HG LEU A 32 122.007 -3.306 6.168 1.00 0.00 H new ATOM 0 HD11 LEU A 32 121.460 -0.907 5.924 1.00 0.00 H new ATOM 0 HD12 LEU A 32 123.113 -1.127 6.545 1.00 0.00 H new ATOM 0 HD13 LEU A 32 122.854 -0.696 4.838 1.00 0.00 H new ATOM 0 HD21 LEU A 32 120.493 -2.570 4.328 1.00 0.00 H new ATOM 0 HD22 LEU A 32 121.899 -2.381 3.253 1.00 0.00 H new ATOM 0 HD23 LEU A 32 121.440 -3.996 3.841 1.00 0.00 H new ATOM 517 N PHE A 33 124.129 -4.600 7.755 1.00 0.00 N ATOM 518 CA PHE A 33 123.595 -4.989 9.091 1.00 0.00 C ATOM 519 C PHE A 33 124.506 -4.394 10.176 1.00 0.00 C ATOM 520 O PHE A 33 124.062 -4.058 11.254 1.00 0.00 O ATOM 521 CB PHE A 33 123.536 -6.520 9.240 1.00 0.00 C ATOM 522 CG PHE A 33 122.335 -7.093 8.494 1.00 0.00 C ATOM 523 CD1 PHE A 33 121.023 -6.703 8.830 1.00 0.00 C ATOM 524 CD2 PHE A 33 122.534 -8.026 7.465 1.00 0.00 C ATOM 525 CE1 PHE A 33 119.931 -7.245 8.134 1.00 0.00 C ATOM 526 CE2 PHE A 33 121.440 -8.564 6.776 1.00 0.00 C ATOM 527 CZ PHE A 33 120.140 -8.174 7.107 1.00 0.00 C ATOM 0 H PHE A 33 124.392 -5.371 7.141 1.00 0.00 H new ATOM 0 HA PHE A 33 122.581 -4.604 9.195 1.00 0.00 H new ATOM 0 HB2 PHE A 33 124.454 -6.963 8.854 1.00 0.00 H new ATOM 0 HB3 PHE A 33 123.474 -6.785 10.296 1.00 0.00 H new ATOM 0 HD1 PHE A 33 120.858 -5.988 9.622 1.00 0.00 H new ATOM 0 HD2 PHE A 33 123.536 -8.331 7.203 1.00 0.00 H new ATOM 0 HE1 PHE A 33 118.926 -6.945 8.391 1.00 0.00 H new ATOM 0 HE2 PHE A 33 121.602 -9.283 5.986 1.00 0.00 H new ATOM 0 HZ PHE A 33 119.298 -8.588 6.572 1.00 0.00 H new ATOM 537 N SER A 34 125.784 -4.283 9.911 1.00 0.00 N ATOM 538 CA SER A 34 126.708 -3.724 10.945 1.00 0.00 C ATOM 539 C SER A 34 126.342 -2.264 11.269 1.00 0.00 C ATOM 540 O SER A 34 126.212 -1.895 12.416 1.00 0.00 O ATOM 541 CB SER A 34 128.153 -3.776 10.438 1.00 0.00 C ATOM 542 OG SER A 34 128.562 -5.131 10.318 1.00 0.00 O ATOM 0 H SER A 34 126.224 -4.553 9.031 1.00 0.00 H new ATOM 0 HA SER A 34 126.611 -4.326 11.849 1.00 0.00 H new ATOM 0 HB2 SER A 34 128.230 -3.275 9.473 1.00 0.00 H new ATOM 0 HB3 SER A 34 128.811 -3.246 11.126 1.00 0.00 H new ATOM 0 HG SER A 34 127.888 -5.633 9.813 1.00 0.00 H new ATOM 548 N PHE A 35 126.201 -1.424 10.275 1.00 0.00 N ATOM 549 CA PHE A 35 125.870 0.012 10.551 1.00 0.00 C ATOM 550 C PHE A 35 124.537 0.139 11.301 1.00 0.00 C ATOM 551 O PHE A 35 124.463 0.758 12.343 1.00 0.00 O ATOM 552 CB PHE A 35 125.790 0.779 9.229 1.00 0.00 C ATOM 553 CG PHE A 35 125.514 2.236 9.513 1.00 0.00 C ATOM 554 CD1 PHE A 35 126.582 3.118 9.726 1.00 0.00 C ATOM 555 CD2 PHE A 35 124.197 2.706 9.559 1.00 0.00 C ATOM 556 CE1 PHE A 35 126.331 4.469 9.988 1.00 0.00 C ATOM 557 CE2 PHE A 35 123.947 4.059 9.821 1.00 0.00 C ATOM 558 CZ PHE A 35 125.015 4.941 10.035 1.00 0.00 C ATOM 0 H PHE A 35 126.300 -1.666 9.289 1.00 0.00 H new ATOM 0 HA PHE A 35 126.656 0.432 11.179 1.00 0.00 H new ATOM 0 HB2 PHE A 35 126.725 0.675 8.678 1.00 0.00 H new ATOM 0 HB3 PHE A 35 125.002 0.363 8.601 1.00 0.00 H new ATOM 0 HD1 PHE A 35 127.598 2.755 9.688 1.00 0.00 H new ATOM 0 HD2 PHE A 35 123.374 2.026 9.393 1.00 0.00 H new ATOM 0 HE1 PHE A 35 127.154 5.148 10.154 1.00 0.00 H new ATOM 0 HE2 PHE A 35 122.931 4.423 9.858 1.00 0.00 H new ATOM 0 HZ PHE A 35 124.822 5.984 10.236 1.00 0.00 H new ATOM 568 N MET A 36 123.487 -0.440 10.786 1.00 0.00 N ATOM 569 CA MET A 36 122.168 -0.343 11.481 1.00 0.00 C ATOM 570 C MET A 36 122.234 -1.109 12.806 1.00 0.00 C ATOM 571 O MET A 36 121.356 -1.013 13.638 1.00 0.00 O ATOM 572 CB MET A 36 121.067 -0.936 10.594 1.00 0.00 C ATOM 573 CG MET A 36 121.479 -2.338 10.081 1.00 0.00 C ATOM 574 SD MET A 36 120.215 -3.558 10.529 1.00 0.00 S ATOM 575 CE MET A 36 118.825 -2.813 9.640 1.00 0.00 C ATOM 0 H MET A 36 123.483 -0.975 9.917 1.00 0.00 H new ATOM 0 HA MET A 36 121.939 0.704 11.678 1.00 0.00 H new ATOM 0 HB2 MET A 36 120.137 -1.008 11.158 1.00 0.00 H new ATOM 0 HB3 MET A 36 120.877 -0.274 9.749 1.00 0.00 H new ATOM 0 HG2 MET A 36 121.607 -2.315 8.999 1.00 0.00 H new ATOM 0 HG3 MET A 36 122.440 -2.623 10.510 1.00 0.00 H new ATOM 0 HE1 MET A 36 118.063 -2.499 10.353 1.00 0.00 H new ATOM 0 HE2 MET A 36 119.175 -1.947 9.078 1.00 0.00 H new ATOM 0 HE3 MET A 36 118.399 -3.544 8.953 1.00 0.00 H new ATOM 585 N GLN A 37 123.268 -1.879 12.994 1.00 0.00 N ATOM 586 CA GLN A 37 123.404 -2.674 14.251 1.00 0.00 C ATOM 587 C GLN A 37 123.217 -1.758 15.456 1.00 0.00 C ATOM 588 O GLN A 37 123.118 -2.211 16.580 1.00 0.00 O ATOM 589 CB GLN A 37 124.799 -3.303 14.316 1.00 0.00 C ATOM 590 CG GLN A 37 124.841 -4.366 15.417 1.00 0.00 C ATOM 591 CD GLN A 37 126.169 -5.125 15.339 1.00 0.00 C ATOM 592 OE1 GLN A 37 126.913 -4.972 14.390 1.00 0.00 O ATOM 593 NE2 GLN A 37 126.499 -5.943 16.301 1.00 0.00 N ATOM 0 H GLN A 37 124.032 -1.994 12.328 1.00 0.00 H new ATOM 0 HA GLN A 37 122.647 -3.458 14.261 1.00 0.00 H new ATOM 0 HB2 GLN A 37 125.050 -3.752 13.355 1.00 0.00 H new ATOM 0 HB3 GLN A 37 125.546 -2.534 14.513 1.00 0.00 H new ATOM 0 HG2 GLN A 37 124.734 -3.897 16.395 1.00 0.00 H new ATOM 0 HG3 GLN A 37 124.007 -5.058 15.302 1.00 0.00 H new ATOM 0 HE21 GLN A 37 125.875 -6.072 17.098 1.00 0.00 H new ATOM 0 HE22 GLN A 37 127.381 -6.454 16.256 1.00 0.00 H new ATOM 602 N LYS A 38 123.173 -0.471 15.244 1.00 0.00 N ATOM 603 CA LYS A 38 122.998 0.454 16.398 1.00 0.00 C ATOM 604 C LYS A 38 121.811 -0.030 17.235 1.00 0.00 C ATOM 605 O LYS A 38 121.934 -0.247 18.425 1.00 0.00 O ATOM 606 CB LYS A 38 122.738 1.870 15.877 1.00 0.00 C ATOM 607 CG LYS A 38 122.628 2.834 17.060 1.00 0.00 C ATOM 608 CD LYS A 38 122.368 4.250 16.546 1.00 0.00 C ATOM 609 CE LYS A 38 122.259 5.206 17.734 1.00 0.00 C ATOM 610 NZ LYS A 38 121.183 4.737 18.651 1.00 0.00 N ATOM 0 H LYS A 38 123.250 -0.024 14.331 1.00 0.00 H new ATOM 0 HA LYS A 38 123.896 0.467 17.015 1.00 0.00 H new ATOM 0 HB2 LYS A 38 123.546 2.180 15.215 1.00 0.00 H new ATOM 0 HB3 LYS A 38 121.820 1.891 15.290 1.00 0.00 H new ATOM 0 HG2 LYS A 38 121.820 2.523 17.722 1.00 0.00 H new ATOM 0 HG3 LYS A 38 123.547 2.812 17.646 1.00 0.00 H new ATOM 0 HD2 LYS A 38 123.176 4.564 15.885 1.00 0.00 H new ATOM 0 HD3 LYS A 38 121.449 4.274 15.960 1.00 0.00 H new ATOM 0 HE2 LYS A 38 123.210 5.253 18.265 1.00 0.00 H new ATOM 0 HE3 LYS A 38 122.039 6.215 17.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 120.690 5.558 19.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 120.505 4.153 18.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 121.602 4.172 19.417 1.00 0.00 H new ATOM 624 N ARG A 39 120.676 -0.252 16.626 1.00 0.00 N ATOM 625 CA ARG A 39 119.521 -0.777 17.407 1.00 0.00 C ATOM 626 C ARG A 39 119.839 -2.220 17.795 1.00 0.00 C ATOM 627 O ARG A 39 119.561 -2.659 18.893 1.00 0.00 O ATOM 628 CB ARG A 39 118.237 -0.743 16.574 1.00 0.00 C ATOM 629 CG ARG A 39 117.792 0.704 16.366 1.00 0.00 C ATOM 630 CD ARG A 39 116.508 0.718 15.537 1.00 0.00 C ATOM 631 NE ARG A 39 115.399 0.120 16.334 1.00 0.00 N ATOM 632 CZ ARG A 39 114.779 0.834 17.233 1.00 0.00 C ATOM 633 NH1 ARG A 39 113.738 1.546 16.897 1.00 0.00 N ATOM 634 NH2 ARG A 39 115.198 0.835 18.470 1.00 0.00 N ATOM 0 H ARG A 39 120.501 -0.094 15.634 1.00 0.00 H new ATOM 0 HA ARG A 39 119.364 -0.159 18.291 1.00 0.00 H new ATOM 0 HB2 ARG A 39 118.405 -1.223 15.610 1.00 0.00 H new ATOM 0 HB3 ARG A 39 117.451 -1.306 17.078 1.00 0.00 H new ATOM 0 HG2 ARG A 39 117.624 1.188 17.328 1.00 0.00 H new ATOM 0 HG3 ARG A 39 118.574 1.269 15.858 1.00 0.00 H new ATOM 0 HD2 ARG A 39 116.257 1.740 15.253 1.00 0.00 H new ATOM 0 HD3 ARG A 39 116.652 0.156 14.614 1.00 0.00 H new ATOM 0 HE ARG A 39 115.124 -0.850 16.176 1.00 0.00 H new ATOM 0 HH11 ARG A 39 113.409 1.544 15.932 1.00 0.00 H new ATOM 0 HH12 ARG A 39 113.253 2.104 17.600 1.00 0.00 H new ATOM 0 HH21 ARG A 39 116.010 0.277 18.734 1.00 0.00 H new ATOM 0 HH22 ARG A 39 114.713 1.393 19.172 1.00 0.00 H new ATOM 648 N GLY A 40 120.441 -2.956 16.889 1.00 0.00 N ATOM 649 CA GLY A 40 120.815 -4.377 17.172 1.00 0.00 C ATOM 650 C GLY A 40 119.895 -5.335 16.408 1.00 0.00 C ATOM 651 O GLY A 40 120.148 -6.522 16.356 1.00 0.00 O ATOM 0 H GLY A 40 120.691 -2.627 15.956 1.00 0.00 H new ATOM 0 HA2 GLY A 40 121.852 -4.551 16.884 1.00 0.00 H new ATOM 0 HA3 GLY A 40 120.745 -4.572 18.242 1.00 0.00 H new ATOM 655 N THR A 41 118.827 -4.838 15.820 1.00 0.00 N ATOM 656 CA THR A 41 117.885 -5.731 15.060 1.00 0.00 C ATOM 657 C THR A 41 117.951 -5.423 13.551 1.00 0.00 C ATOM 658 O THR A 41 118.311 -4.332 13.156 1.00 0.00 O ATOM 659 CB THR A 41 116.452 -5.510 15.588 1.00 0.00 C ATOM 660 OG1 THR A 41 116.343 -4.186 16.091 1.00 0.00 O ATOM 661 CG2 THR A 41 116.154 -6.503 16.716 1.00 0.00 C ATOM 0 H THR A 41 118.567 -3.852 15.834 1.00 0.00 H new ATOM 0 HA THR A 41 118.173 -6.772 15.206 1.00 0.00 H new ATOM 0 HB THR A 41 115.740 -5.662 14.777 1.00 0.00 H new ATOM 0 HG1 THR A 41 115.434 -4.037 16.427 1.00 0.00 H new ATOM 0 HG21 THR A 41 115.141 -6.342 17.084 1.00 0.00 H new ATOM 0 HG22 THR A 41 116.245 -7.521 16.338 1.00 0.00 H new ATOM 0 HG23 THR A 41 116.864 -6.353 17.529 1.00 0.00 H new ATOM 669 N PRO A 42 117.601 -6.382 12.707 1.00 0.00 N ATOM 670 CA PRO A 42 117.635 -6.167 11.232 1.00 0.00 C ATOM 671 C PRO A 42 116.839 -4.928 10.780 1.00 0.00 C ATOM 672 O PRO A 42 116.622 -3.996 11.529 1.00 0.00 O ATOM 673 CB PRO A 42 117.000 -7.468 10.682 1.00 0.00 C ATOM 674 CG PRO A 42 116.616 -8.372 11.870 1.00 0.00 C ATOM 675 CD PRO A 42 117.164 -7.740 13.157 1.00 0.00 C ATOM 0 HA PRO A 42 118.645 -5.976 10.870 1.00 0.00 H new ATOM 0 HB2 PRO A 42 116.119 -7.235 10.084 1.00 0.00 H new ATOM 0 HB3 PRO A 42 117.702 -7.983 10.027 1.00 0.00 H new ATOM 0 HG2 PRO A 42 115.533 -8.478 11.931 1.00 0.00 H new ATOM 0 HG3 PRO A 42 117.027 -9.372 11.734 1.00 0.00 H new ATOM 0 HD2 PRO A 42 116.402 -7.682 13.934 1.00 0.00 H new ATOM 0 HD3 PRO A 42 117.994 -8.315 13.567 1.00 0.00 H new ATOM 683 N ILE A 43 116.419 -4.933 9.544 1.00 0.00 N ATOM 684 CA ILE A 43 115.647 -3.789 8.980 1.00 0.00 C ATOM 685 C ILE A 43 114.231 -3.773 9.578 1.00 0.00 C ATOM 686 O ILE A 43 114.015 -4.231 10.683 1.00 0.00 O ATOM 687 CB ILE A 43 115.627 -3.964 7.441 1.00 0.00 C ATOM 688 CG1 ILE A 43 115.502 -2.587 6.743 1.00 0.00 C ATOM 689 CG2 ILE A 43 114.472 -4.897 6.998 1.00 0.00 C ATOM 690 CD1 ILE A 43 116.881 -1.922 6.618 1.00 0.00 C ATOM 0 H ILE A 43 116.582 -5.697 8.889 1.00 0.00 H new ATOM 0 HA ILE A 43 116.105 -2.832 9.229 1.00 0.00 H new ATOM 0 HB ILE A 43 116.568 -4.427 7.144 1.00 0.00 H new ATOM 0 HG12 ILE A 43 115.061 -2.712 5.754 1.00 0.00 H new ATOM 0 HG13 ILE A 43 114.831 -1.943 7.312 1.00 0.00 H new ATOM 0 HG21 ILE A 43 114.484 -5.001 5.913 1.00 0.00 H new ATOM 0 HG22 ILE A 43 114.599 -5.877 7.457 1.00 0.00 H new ATOM 0 HG23 ILE A 43 113.519 -4.471 7.311 1.00 0.00 H new ATOM 0 HD11 ILE A 43 116.776 -0.955 6.125 1.00 0.00 H new ATOM 0 HD12 ILE A 43 117.307 -1.779 7.611 1.00 0.00 H new ATOM 0 HD13 ILE A 43 117.540 -2.559 6.029 1.00 0.00 H new ATOM 702 N ASN A 44 113.268 -3.253 8.866 1.00 0.00 N ATOM 703 CA ASN A 44 111.881 -3.217 9.412 1.00 0.00 C ATOM 704 C ASN A 44 111.215 -4.575 9.180 1.00 0.00 C ATOM 705 O ASN A 44 110.753 -5.213 10.104 1.00 0.00 O ATOM 706 CB ASN A 44 111.078 -2.128 8.694 1.00 0.00 C ATOM 707 CG ASN A 44 109.753 -1.904 9.424 1.00 0.00 C ATOM 708 OD1 ASN A 44 109.673 -2.063 10.626 1.00 0.00 O ATOM 709 ND2 ASN A 44 108.701 -1.540 8.742 1.00 0.00 N ATOM 0 H ASN A 44 113.381 -2.853 7.934 1.00 0.00 H new ATOM 0 HA ASN A 44 111.913 -3.000 10.480 1.00 0.00 H new ATOM 0 HB2 ASN A 44 111.650 -1.200 8.664 1.00 0.00 H new ATOM 0 HB3 ASN A 44 110.891 -2.421 7.661 1.00 0.00 H new ATOM 0 HD21 ASN A 44 107.812 -1.389 9.218 1.00 0.00 H new ATOM 0 HD22 ASN A 44 108.768 -1.407 7.733 1.00 0.00 H new ATOM 716 N ARG A 45 111.173 -5.031 7.954 1.00 0.00 N ATOM 717 CA ARG A 45 110.547 -6.357 7.675 1.00 0.00 C ATOM 718 C ARG A 45 111.167 -6.967 6.417 1.00 0.00 C ATOM 719 O ARG A 45 111.723 -6.277 5.585 1.00 0.00 O ATOM 720 CB ARG A 45 109.042 -6.191 7.453 1.00 0.00 C ATOM 721 CG ARG A 45 108.358 -5.829 8.774 1.00 0.00 C ATOM 722 CD ARG A 45 106.841 -5.911 8.597 1.00 0.00 C ATOM 723 NE ARG A 45 106.170 -5.231 9.739 1.00 0.00 N ATOM 724 CZ ARG A 45 104.868 -5.197 9.802 1.00 0.00 C ATOM 725 NH1 ARG A 45 104.164 -5.032 8.714 1.00 0.00 N ATOM 726 NH2 ARG A 45 104.268 -5.329 10.952 1.00 0.00 N ATOM 0 H ARG A 45 111.544 -4.544 7.138 1.00 0.00 H new ATOM 0 HA ARG A 45 110.721 -7.011 8.529 1.00 0.00 H new ATOM 0 HB2 ARG A 45 108.858 -5.412 6.713 1.00 0.00 H new ATOM 0 HB3 ARG A 45 108.620 -7.114 7.056 1.00 0.00 H new ATOM 0 HG2 ARG A 45 108.681 -6.509 9.562 1.00 0.00 H new ATOM 0 HG3 ARG A 45 108.646 -4.824 9.082 1.00 0.00 H new ATOM 0 HD2 ARG A 45 106.548 -5.442 7.658 1.00 0.00 H new ATOM 0 HD3 ARG A 45 106.526 -6.953 8.545 1.00 0.00 H new ATOM 0 HE ARG A 45 106.728 -4.792 10.471 1.00 0.00 H new ATOM 0 HH11 ARG A 45 104.633 -4.930 7.814 1.00 0.00 H new ATOM 0 HH12 ARG A 45 103.146 -5.006 8.765 1.00 0.00 H new ATOM 0 HH21 ARG A 45 104.817 -5.459 11.802 1.00 0.00 H new ATOM 0 HH22 ARG A 45 103.250 -5.302 11.002 1.00 0.00 H new ATOM 740 N LEU A 46 111.055 -8.261 6.273 1.00 0.00 N ATOM 741 CA LEU A 46 111.610 -8.956 5.071 1.00 0.00 C ATOM 742 C LEU A 46 110.543 -9.911 4.523 1.00 0.00 C ATOM 743 O LEU A 46 110.604 -11.100 4.765 1.00 0.00 O ATOM 744 CB LEU A 46 112.844 -9.770 5.477 1.00 0.00 C ATOM 745 CG LEU A 46 113.979 -8.830 5.923 1.00 0.00 C ATOM 746 CD1 LEU A 46 114.969 -9.601 6.800 1.00 0.00 C ATOM 747 CD2 LEU A 46 114.726 -8.273 4.700 1.00 0.00 C ATOM 0 H LEU A 46 110.596 -8.875 6.946 1.00 0.00 H new ATOM 0 HA LEU A 46 111.889 -8.223 4.314 1.00 0.00 H new ATOM 0 HB2 LEU A 46 112.588 -10.452 6.287 1.00 0.00 H new ATOM 0 HB3 LEU A 46 113.177 -10.382 4.638 1.00 0.00 H new ATOM 0 HG LEU A 46 113.545 -8.004 6.486 1.00 0.00 H new ATOM 0 HD11 LEU A 46 115.772 -8.934 7.115 1.00 0.00 H new ATOM 0 HD12 LEU A 46 114.452 -9.987 7.679 1.00 0.00 H new ATOM 0 HD13 LEU A 46 115.389 -10.431 6.232 1.00 0.00 H new ATOM 0 HD21 LEU A 46 115.525 -7.610 5.032 1.00 0.00 H new ATOM 0 HD22 LEU A 46 115.152 -9.097 4.128 1.00 0.00 H new ATOM 0 HD23 LEU A 46 114.031 -7.716 4.072 1.00 0.00 H new ATOM 759 N PRO A 47 109.564 -9.416 3.798 1.00 0.00 N ATOM 760 CA PRO A 47 108.506 -10.308 3.257 1.00 0.00 C ATOM 761 C PRO A 47 109.100 -11.356 2.312 1.00 0.00 C ATOM 762 O PRO A 47 110.167 -11.168 1.762 1.00 0.00 O ATOM 763 CB PRO A 47 107.557 -9.327 2.536 1.00 0.00 C ATOM 764 CG PRO A 47 108.109 -7.894 2.707 1.00 0.00 C ATOM 765 CD PRO A 47 109.450 -7.968 3.465 1.00 0.00 C ATOM 0 HA PRO A 47 107.992 -10.892 4.020 1.00 0.00 H new ATOM 0 HB2 PRO A 47 107.483 -9.580 1.478 1.00 0.00 H new ATOM 0 HB3 PRO A 47 106.552 -9.398 2.952 1.00 0.00 H new ATOM 0 HG2 PRO A 47 108.251 -7.425 1.733 1.00 0.00 H new ATOM 0 HG3 PRO A 47 107.397 -7.278 3.257 1.00 0.00 H new ATOM 0 HD2 PRO A 47 110.282 -7.628 2.848 1.00 0.00 H new ATOM 0 HD3 PRO A 47 109.443 -7.347 4.361 1.00 0.00 H new ATOM 773 N ILE A 48 108.430 -12.464 2.132 1.00 0.00 N ATOM 774 CA ILE A 48 108.967 -13.530 1.243 1.00 0.00 C ATOM 775 C ILE A 48 108.267 -13.461 -0.108 1.00 0.00 C ATOM 776 O ILE A 48 107.060 -13.559 -0.206 1.00 0.00 O ATOM 777 CB ILE A 48 108.706 -14.901 1.868 1.00 0.00 C ATOM 778 CG1 ILE A 48 109.125 -14.886 3.345 1.00 0.00 C ATOM 779 CG2 ILE A 48 109.520 -15.961 1.122 1.00 0.00 C ATOM 780 CD1 ILE A 48 110.543 -14.326 3.492 1.00 0.00 C ATOM 0 H ILE A 48 107.531 -12.675 2.565 1.00 0.00 H new ATOM 0 HA ILE A 48 110.039 -13.384 1.114 1.00 0.00 H new ATOM 0 HB ILE A 48 107.644 -15.134 1.796 1.00 0.00 H new ATOM 0 HG12 ILE A 48 108.426 -14.280 3.922 1.00 0.00 H new ATOM 0 HG13 ILE A 48 109.082 -15.896 3.752 1.00 0.00 H new ATOM 0 HG21 ILE A 48 109.336 -16.940 1.565 1.00 0.00 H new ATOM 0 HG22 ILE A 48 109.223 -15.976 0.073 1.00 0.00 H new ATOM 0 HG23 ILE A 48 110.581 -15.723 1.195 1.00 0.00 H new ATOM 0 HD11 ILE A 48 110.825 -14.322 4.545 1.00 0.00 H new ATOM 0 HD12 ILE A 48 111.240 -14.949 2.932 1.00 0.00 H new ATOM 0 HD13 ILE A 48 110.574 -13.308 3.104 1.00 0.00 H new ATOM 792 N MET A 49 109.024 -13.310 -1.150 1.00 0.00 N ATOM 793 CA MET A 49 108.423 -13.250 -2.509 1.00 0.00 C ATOM 794 C MET A 49 108.147 -14.677 -2.975 1.00 0.00 C ATOM 795 O MET A 49 109.034 -15.383 -3.404 1.00 0.00 O ATOM 796 CB MET A 49 109.401 -12.554 -3.476 1.00 0.00 C ATOM 797 CG MET A 49 109.146 -11.045 -3.478 1.00 0.00 C ATOM 798 SD MET A 49 110.317 -10.234 -4.595 1.00 0.00 S ATOM 799 CE MET A 49 109.577 -8.584 -4.542 1.00 0.00 C ATOM 0 H MET A 49 110.040 -13.225 -1.122 1.00 0.00 H new ATOM 0 HA MET A 49 107.493 -12.682 -2.489 1.00 0.00 H new ATOM 0 HB2 MET A 49 110.429 -12.757 -3.176 1.00 0.00 H new ATOM 0 HB3 MET A 49 109.277 -12.954 -4.482 1.00 0.00 H new ATOM 0 HG2 MET A 49 108.123 -10.839 -3.794 1.00 0.00 H new ATOM 0 HG3 MET A 49 109.254 -10.646 -2.469 1.00 0.00 H new ATOM 0 HE1 MET A 49 110.152 -7.907 -5.174 1.00 0.00 H new ATOM 0 HE2 MET A 49 108.550 -8.634 -4.903 1.00 0.00 H new ATOM 0 HE3 MET A 49 109.583 -8.215 -3.516 1.00 0.00 H new ATOM 809 N ALA A 50 106.916 -15.097 -2.892 1.00 0.00 N ATOM 810 CA ALA A 50 106.552 -16.477 -3.320 1.00 0.00 C ATOM 811 C ALA A 50 107.593 -17.479 -2.809 1.00 0.00 C ATOM 812 O ALA A 50 107.468 -18.013 -1.724 1.00 0.00 O ATOM 813 CB ALA A 50 106.507 -16.525 -4.848 1.00 0.00 C ATOM 0 H ALA A 50 106.138 -14.537 -2.542 1.00 0.00 H new ATOM 0 HA ALA A 50 105.578 -16.740 -2.908 1.00 0.00 H new ATOM 0 HB1 ALA A 50 106.241 -17.531 -5.173 1.00 0.00 H new ATOM 0 HB2 ALA A 50 105.762 -15.818 -5.212 1.00 0.00 H new ATOM 0 HB3 ALA A 50 107.485 -16.261 -5.249 1.00 0.00 H new ATOM 819 N LYS A 51 108.620 -17.734 -3.582 1.00 0.00 N ATOM 820 CA LYS A 51 109.682 -18.701 -3.154 1.00 0.00 C ATOM 821 C LYS A 51 110.984 -17.946 -2.871 1.00 0.00 C ATOM 822 O LYS A 51 111.899 -18.474 -2.271 1.00 0.00 O ATOM 823 CB LYS A 51 109.922 -19.707 -4.280 1.00 0.00 C ATOM 824 CG LYS A 51 108.685 -20.590 -4.452 1.00 0.00 C ATOM 825 CD LYS A 51 108.929 -21.596 -5.579 1.00 0.00 C ATOM 826 CE LYS A 51 107.693 -22.480 -5.752 1.00 0.00 C ATOM 827 NZ LYS A 51 107.957 -23.505 -6.802 1.00 0.00 N ATOM 0 H LYS A 51 108.770 -17.311 -4.498 1.00 0.00 H new ATOM 0 HA LYS A 51 109.360 -19.219 -2.251 1.00 0.00 H new ATOM 0 HB2 LYS A 51 110.138 -19.182 -5.210 1.00 0.00 H new ATOM 0 HB3 LYS A 51 110.792 -20.323 -4.052 1.00 0.00 H new ATOM 0 HG2 LYS A 51 108.468 -21.115 -3.522 1.00 0.00 H new ATOM 0 HG3 LYS A 51 107.815 -19.975 -4.681 1.00 0.00 H new ATOM 0 HD2 LYS A 51 109.146 -21.070 -6.509 1.00 0.00 H new ATOM 0 HD3 LYS A 51 109.799 -22.211 -5.350 1.00 0.00 H new ATOM 0 HE2 LYS A 51 107.446 -22.966 -4.808 1.00 0.00 H new ATOM 0 HE3 LYS A 51 106.833 -21.871 -6.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 107.116 -24.106 -6.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 108.173 -23.032 -7.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 108.766 -24.093 -6.517 1.00 0.00 H new ATOM 841 N SER A 52 111.079 -16.715 -3.306 1.00 0.00 N ATOM 842 CA SER A 52 112.325 -15.921 -3.074 1.00 0.00 C ATOM 843 C SER A 52 112.144 -15.006 -1.861 1.00 0.00 C ATOM 844 O SER A 52 111.046 -14.797 -1.382 1.00 0.00 O ATOM 845 CB SER A 52 112.623 -15.070 -4.312 1.00 0.00 C ATOM 846 OG SER A 52 113.170 -15.900 -5.327 1.00 0.00 O ATOM 0 H SER A 52 110.344 -16.223 -3.814 1.00 0.00 H new ATOM 0 HA SER A 52 113.154 -16.603 -2.887 1.00 0.00 H new ATOM 0 HB2 SER A 52 111.710 -14.592 -4.668 1.00 0.00 H new ATOM 0 HB3 SER A 52 113.323 -14.273 -4.061 1.00 0.00 H new ATOM 0 HG SER A 52 113.361 -15.361 -6.123 1.00 0.00 H new ATOM 852 N VAL A 53 113.225 -14.461 -1.366 1.00 0.00 N ATOM 853 CA VAL A 53 113.163 -13.550 -0.181 1.00 0.00 C ATOM 854 C VAL A 53 113.495 -12.130 -0.643 1.00 0.00 C ATOM 855 O VAL A 53 114.402 -11.925 -1.424 1.00 0.00 O ATOM 856 CB VAL A 53 114.193 -13.999 0.861 1.00 0.00 C ATOM 857 CG1 VAL A 53 114.035 -13.155 2.127 1.00 0.00 C ATOM 858 CG2 VAL A 53 113.977 -15.481 1.201 1.00 0.00 C ATOM 0 H VAL A 53 114.163 -14.610 -1.738 1.00 0.00 H new ATOM 0 HA VAL A 53 112.167 -13.578 0.262 1.00 0.00 H new ATOM 0 HB VAL A 53 115.197 -13.867 0.457 1.00 0.00 H new ATOM 0 HG11 VAL A 53 114.767 -13.473 2.870 1.00 0.00 H new ATOM 0 HG12 VAL A 53 114.195 -12.104 1.886 1.00 0.00 H new ATOM 0 HG13 VAL A 53 113.030 -13.286 2.529 1.00 0.00 H new ATOM 0 HG21 VAL A 53 114.712 -15.795 1.942 1.00 0.00 H new ATOM 0 HG22 VAL A 53 112.974 -15.619 1.604 1.00 0.00 H new ATOM 0 HG23 VAL A 53 114.092 -16.082 0.299 1.00 0.00 H new ATOM 868 N LEU A 54 112.767 -11.145 -0.189 1.00 0.00 N ATOM 869 CA LEU A 54 113.065 -9.757 -0.641 1.00 0.00 C ATOM 870 C LEU A 54 114.478 -9.380 -0.201 1.00 0.00 C ATOM 871 O LEU A 54 114.701 -8.929 0.906 1.00 0.00 O ATOM 872 CB LEU A 54 112.049 -8.778 -0.033 1.00 0.00 C ATOM 873 CG LEU A 54 112.428 -7.329 -0.388 1.00 0.00 C ATOM 874 CD1 LEU A 54 112.528 -7.168 -1.912 1.00 0.00 C ATOM 875 CD2 LEU A 54 111.351 -6.383 0.152 1.00 0.00 C ATOM 0 H LEU A 54 111.990 -11.239 0.465 1.00 0.00 H new ATOM 0 HA LEU A 54 112.995 -9.705 -1.727 1.00 0.00 H new ATOM 0 HB2 LEU A 54 111.050 -9.002 -0.406 1.00 0.00 H new ATOM 0 HB3 LEU A 54 112.020 -8.899 1.050 1.00 0.00 H new ATOM 0 HG LEU A 54 113.393 -7.090 0.059 1.00 0.00 H new ATOM 0 HD11 LEU A 54 112.797 -6.139 -2.152 1.00 0.00 H new ATOM 0 HD12 LEU A 54 113.291 -7.842 -2.300 1.00 0.00 H new ATOM 0 HD13 LEU A 54 111.567 -7.408 -2.367 1.00 0.00 H new ATOM 0 HD21 LEU A 54 111.613 -5.354 -0.096 1.00 0.00 H new ATOM 0 HD22 LEU A 54 110.390 -6.631 -0.298 1.00 0.00 H new ATOM 0 HD23 LEU A 54 111.283 -6.489 1.235 1.00 0.00 H new ATOM 887 N ASP A 55 115.434 -9.557 -1.068 1.00 0.00 N ATOM 888 CA ASP A 55 116.838 -9.209 -0.721 1.00 0.00 C ATOM 889 C ASP A 55 116.986 -7.687 -0.629 1.00 0.00 C ATOM 890 O ASP A 55 116.699 -6.970 -1.567 1.00 0.00 O ATOM 891 CB ASP A 55 117.772 -9.753 -1.804 1.00 0.00 C ATOM 892 CG ASP A 55 119.227 -9.488 -1.412 1.00 0.00 C ATOM 893 OD1 ASP A 55 119.466 -8.518 -0.712 1.00 0.00 O ATOM 894 OD2 ASP A 55 120.078 -10.264 -1.816 1.00 0.00 O ATOM 0 H ASP A 55 115.302 -9.930 -2.008 1.00 0.00 H new ATOM 0 HA ASP A 55 117.097 -9.650 0.241 1.00 0.00 H new ATOM 0 HB2 ASP A 55 117.610 -10.823 -1.934 1.00 0.00 H new ATOM 0 HB3 ASP A 55 117.551 -9.279 -2.760 1.00 0.00 H new ATOM 899 N LEU A 56 117.452 -7.190 0.483 1.00 0.00 N ATOM 900 CA LEU A 56 117.638 -5.719 0.621 1.00 0.00 C ATOM 901 C LEU A 56 118.588 -5.249 -0.475 1.00 0.00 C ATOM 902 O LEU A 56 118.425 -4.192 -1.052 1.00 0.00 O ATOM 903 CB LEU A 56 118.255 -5.401 1.984 1.00 0.00 C ATOM 904 CG LEU A 56 117.287 -5.799 3.106 1.00 0.00 C ATOM 905 CD1 LEU A 56 117.970 -5.591 4.467 1.00 0.00 C ATOM 906 CD2 LEU A 56 116.006 -4.943 3.028 1.00 0.00 C ATOM 0 H LEU A 56 117.712 -7.739 1.302 1.00 0.00 H new ATOM 0 HA LEU A 56 116.675 -5.215 0.536 1.00 0.00 H new ATOM 0 HB2 LEU A 56 119.197 -5.936 2.099 1.00 0.00 H new ATOM 0 HB3 LEU A 56 118.483 -4.337 2.050 1.00 0.00 H new ATOM 0 HG LEU A 56 117.016 -6.849 2.991 1.00 0.00 H new ATOM 0 HD11 LEU A 56 117.284 -5.873 5.265 1.00 0.00 H new ATOM 0 HD12 LEU A 56 118.866 -6.210 4.523 1.00 0.00 H new ATOM 0 HD13 LEU A 56 118.246 -4.542 4.579 1.00 0.00 H new ATOM 0 HD21 LEU A 56 115.325 -5.233 3.828 1.00 0.00 H new ATOM 0 HD22 LEU A 56 116.265 -3.890 3.136 1.00 0.00 H new ATOM 0 HD23 LEU A 56 115.521 -5.101 2.065 1.00 0.00 H new ATOM 918 N TYR A 57 119.587 -6.034 -0.755 1.00 0.00 N ATOM 919 CA TYR A 57 120.570 -5.657 -1.800 1.00 0.00 C ATOM 920 C TYR A 57 119.826 -5.341 -3.101 1.00 0.00 C ATOM 921 O TYR A 57 120.174 -4.421 -3.815 1.00 0.00 O ATOM 922 CB TYR A 57 121.521 -6.845 -2.025 1.00 0.00 C ATOM 923 CG TYR A 57 122.809 -6.378 -2.674 1.00 0.00 C ATOM 924 CD1 TYR A 57 122.801 -5.880 -3.984 1.00 0.00 C ATOM 925 CD2 TYR A 57 124.016 -6.449 -1.964 1.00 0.00 C ATOM 926 CE1 TYR A 57 123.990 -5.450 -4.578 1.00 0.00 C ATOM 927 CE2 TYR A 57 125.207 -6.021 -2.560 1.00 0.00 C ATOM 928 CZ TYR A 57 125.194 -5.518 -3.867 1.00 0.00 C ATOM 929 OH TYR A 57 126.368 -5.095 -4.455 1.00 0.00 O ATOM 0 H TYR A 57 119.765 -6.929 -0.299 1.00 0.00 H new ATOM 0 HA TYR A 57 121.137 -4.780 -1.489 1.00 0.00 H new ATOM 0 HB2 TYR A 57 121.741 -7.328 -1.073 1.00 0.00 H new ATOM 0 HB3 TYR A 57 121.038 -7.591 -2.657 1.00 0.00 H new ATOM 0 HD1 TYR A 57 121.874 -5.829 -4.535 1.00 0.00 H new ATOM 0 HD2 TYR A 57 124.026 -6.835 -0.955 1.00 0.00 H new ATOM 0 HE1 TYR A 57 123.980 -5.065 -5.587 1.00 0.00 H new ATOM 0 HE2 TYR A 57 126.136 -6.078 -2.012 1.00 0.00 H new ATOM 0 HH TYR A 57 127.109 -5.209 -3.824 1.00 0.00 H new ATOM 939 N GLU A 58 118.814 -6.099 -3.425 1.00 0.00 N ATOM 940 CA GLU A 58 118.077 -5.841 -4.693 1.00 0.00 C ATOM 941 C GLU A 58 117.462 -4.438 -4.668 1.00 0.00 C ATOM 942 O GLU A 58 117.537 -3.707 -5.634 1.00 0.00 O ATOM 943 CB GLU A 58 116.967 -6.879 -4.868 1.00 0.00 C ATOM 944 CG GLU A 58 116.291 -6.671 -6.225 1.00 0.00 C ATOM 945 CD GLU A 58 115.338 -7.833 -6.507 1.00 0.00 C ATOM 946 OE1 GLU A 58 115.255 -8.720 -5.674 1.00 0.00 O ATOM 947 OE2 GLU A 58 114.708 -7.816 -7.551 1.00 0.00 O ATOM 0 H GLU A 58 118.468 -6.881 -2.870 1.00 0.00 H new ATOM 0 HA GLU A 58 118.776 -5.912 -5.526 1.00 0.00 H new ATOM 0 HB2 GLU A 58 117.381 -7.885 -4.805 1.00 0.00 H new ATOM 0 HB3 GLU A 58 116.235 -6.785 -4.066 1.00 0.00 H new ATOM 0 HG2 GLU A 58 115.743 -5.729 -6.229 1.00 0.00 H new ATOM 0 HG3 GLU A 58 117.043 -6.605 -7.011 1.00 0.00 H new ATOM 954 N LEU A 59 116.865 -4.043 -3.575 1.00 0.00 N ATOM 955 CA LEU A 59 116.272 -2.678 -3.523 1.00 0.00 C ATOM 956 C LEU A 59 117.389 -1.667 -3.759 1.00 0.00 C ATOM 957 O LEU A 59 117.255 -0.739 -4.532 1.00 0.00 O ATOM 958 CB LEU A 59 115.641 -2.427 -2.138 1.00 0.00 C ATOM 959 CG LEU A 59 115.020 -1.014 -2.065 1.00 0.00 C ATOM 960 CD1 LEU A 59 113.769 -0.935 -2.952 1.00 0.00 C ATOM 961 CD2 LEU A 59 114.636 -0.698 -0.610 1.00 0.00 C ATOM 0 H LEU A 59 116.764 -4.600 -2.726 1.00 0.00 H new ATOM 0 HA LEU A 59 115.497 -2.580 -4.283 1.00 0.00 H new ATOM 0 HB2 LEU A 59 114.874 -3.176 -1.942 1.00 0.00 H new ATOM 0 HB3 LEU A 59 116.399 -2.536 -1.363 1.00 0.00 H new ATOM 0 HG LEU A 59 115.752 -0.288 -2.420 1.00 0.00 H new ATOM 0 HD11 LEU A 59 113.342 0.066 -2.891 1.00 0.00 H new ATOM 0 HD12 LEU A 59 114.041 -1.151 -3.985 1.00 0.00 H new ATOM 0 HD13 LEU A 59 113.034 -1.664 -2.611 1.00 0.00 H new ATOM 0 HD21 LEU A 59 114.198 0.299 -0.558 1.00 0.00 H new ATOM 0 HD22 LEU A 59 113.911 -1.432 -0.257 1.00 0.00 H new ATOM 0 HD23 LEU A 59 115.526 -0.736 0.018 1.00 0.00 H new ATOM 973 N TYR A 60 118.485 -1.834 -3.078 1.00 0.00 N ATOM 974 CA TYR A 60 119.612 -0.878 -3.231 1.00 0.00 C ATOM 975 C TYR A 60 120.114 -0.845 -4.681 1.00 0.00 C ATOM 976 O TYR A 60 120.289 0.212 -5.254 1.00 0.00 O ATOM 977 CB TYR A 60 120.766 -1.277 -2.313 1.00 0.00 C ATOM 978 CG TYR A 60 121.755 -0.149 -2.332 1.00 0.00 C ATOM 979 CD1 TYR A 60 121.406 1.056 -1.725 1.00 0.00 C ATOM 980 CD2 TYR A 60 122.988 -0.282 -2.980 1.00 0.00 C ATOM 981 CE1 TYR A 60 122.281 2.133 -1.763 1.00 0.00 C ATOM 982 CE2 TYR A 60 123.873 0.800 -3.011 1.00 0.00 C ATOM 983 CZ TYR A 60 123.514 2.008 -2.403 1.00 0.00 C ATOM 984 OH TYR A 60 124.362 3.087 -2.446 1.00 0.00 O ATOM 0 H TYR A 60 118.649 -2.595 -2.419 1.00 0.00 H new ATOM 0 HA TYR A 60 119.248 0.113 -2.961 1.00 0.00 H new ATOM 0 HB2 TYR A 60 120.407 -1.458 -1.300 1.00 0.00 H new ATOM 0 HB3 TYR A 60 121.230 -2.202 -2.657 1.00 0.00 H new ATOM 0 HD1 TYR A 60 120.454 1.152 -1.225 1.00 0.00 H new ATOM 0 HD2 TYR A 60 123.255 -1.215 -3.454 1.00 0.00 H new ATOM 0 HE1 TYR A 60 122.007 3.068 -1.297 1.00 0.00 H new ATOM 0 HE2 TYR A 60 124.830 0.704 -3.502 1.00 0.00 H new ATOM 0 HH TYR A 60 125.181 2.841 -2.925 1.00 0.00 H new ATOM 994 N ASN A 61 120.380 -1.980 -5.271 1.00 0.00 N ATOM 995 CA ASN A 61 120.908 -1.984 -6.668 1.00 0.00 C ATOM 996 C ASN A 61 119.904 -1.305 -7.619 1.00 0.00 C ATOM 997 O ASN A 61 120.287 -0.572 -8.508 1.00 0.00 O ATOM 998 CB ASN A 61 121.205 -3.450 -7.089 1.00 0.00 C ATOM 999 CG ASN A 61 120.179 -3.974 -8.105 1.00 0.00 C ATOM 1000 OD1 ASN A 61 120.387 -3.879 -9.299 1.00 0.00 O ATOM 1001 ND2 ASN A 61 119.079 -4.524 -7.677 1.00 0.00 N ATOM 0 H ASN A 61 120.256 -2.900 -4.849 1.00 0.00 H new ATOM 0 HA ASN A 61 121.836 -1.414 -6.722 1.00 0.00 H new ATOM 0 HB2 ASN A 61 122.205 -3.508 -7.520 1.00 0.00 H new ATOM 0 HB3 ASN A 61 121.200 -4.089 -6.206 1.00 0.00 H new ATOM 0 HD21 ASN A 61 118.392 -4.875 -8.344 1.00 0.00 H new ATOM 0 HD22 ASN A 61 118.905 -4.604 -6.675 1.00 0.00 H new ATOM 1008 N LEU A 62 118.631 -1.538 -7.447 1.00 0.00 N ATOM 1009 CA LEU A 62 117.639 -0.891 -8.355 1.00 0.00 C ATOM 1010 C LEU A 62 117.647 0.624 -8.121 1.00 0.00 C ATOM 1011 O LEU A 62 117.548 1.403 -9.046 1.00 0.00 O ATOM 1012 CB LEU A 62 116.232 -1.437 -8.073 1.00 0.00 C ATOM 1013 CG LEU A 62 116.158 -2.937 -8.398 1.00 0.00 C ATOM 1014 CD1 LEU A 62 114.833 -3.497 -7.874 1.00 0.00 C ATOM 1015 CD2 LEU A 62 116.235 -3.169 -9.917 1.00 0.00 C ATOM 0 H LEU A 62 118.237 -2.142 -6.725 1.00 0.00 H new ATOM 0 HA LEU A 62 117.909 -1.109 -9.388 1.00 0.00 H new ATOM 0 HB2 LEU A 62 115.976 -1.273 -7.026 1.00 0.00 H new ATOM 0 HB3 LEU A 62 115.499 -0.894 -8.669 1.00 0.00 H new ATOM 0 HG LEU A 62 116.999 -3.441 -7.923 1.00 0.00 H new ATOM 0 HD11 LEU A 62 114.773 -4.561 -8.101 1.00 0.00 H new ATOM 0 HD12 LEU A 62 114.778 -3.352 -6.795 1.00 0.00 H new ATOM 0 HD13 LEU A 62 114.003 -2.977 -8.353 1.00 0.00 H new ATOM 0 HD21 LEU A 62 116.181 -4.238 -10.125 1.00 0.00 H new ATOM 0 HD22 LEU A 62 115.403 -2.662 -10.405 1.00 0.00 H new ATOM 0 HD23 LEU A 62 117.176 -2.772 -10.298 1.00 0.00 H new ATOM 1027 N VAL A 63 117.752 1.044 -6.890 1.00 0.00 N ATOM 1028 CA VAL A 63 117.750 2.508 -6.591 1.00 0.00 C ATOM 1029 C VAL A 63 118.939 3.204 -7.275 1.00 0.00 C ATOM 1030 O VAL A 63 118.773 4.197 -7.955 1.00 0.00 O ATOM 1031 CB VAL A 63 117.820 2.696 -5.066 1.00 0.00 C ATOM 1032 CG1 VAL A 63 118.238 4.133 -4.719 1.00 0.00 C ATOM 1033 CG2 VAL A 63 116.436 2.402 -4.464 1.00 0.00 C ATOM 0 H VAL A 63 117.839 0.437 -6.075 1.00 0.00 H new ATOM 0 HA VAL A 63 116.836 2.959 -6.977 1.00 0.00 H new ATOM 0 HB VAL A 63 118.561 2.011 -4.654 1.00 0.00 H new ATOM 0 HG11 VAL A 63 118.282 4.248 -3.636 1.00 0.00 H new ATOM 0 HG12 VAL A 63 119.219 4.340 -5.146 1.00 0.00 H new ATOM 0 HG13 VAL A 63 117.509 4.833 -5.128 1.00 0.00 H new ATOM 0 HG21 VAL A 63 116.474 2.532 -3.383 1.00 0.00 H new ATOM 0 HG22 VAL A 63 115.702 3.088 -4.886 1.00 0.00 H new ATOM 0 HG23 VAL A 63 116.149 1.376 -4.696 1.00 0.00 H new ATOM 1043 N ILE A 64 120.132 2.706 -7.097 1.00 0.00 N ATOM 1044 CA ILE A 64 121.309 3.360 -7.739 1.00 0.00 C ATOM 1045 C ILE A 64 121.136 3.367 -9.262 1.00 0.00 C ATOM 1046 O ILE A 64 121.461 4.329 -9.927 1.00 0.00 O ATOM 1047 CB ILE A 64 122.577 2.583 -7.372 1.00 0.00 C ATOM 1048 CG1 ILE A 64 122.782 2.587 -5.846 1.00 0.00 C ATOM 1049 CG2 ILE A 64 123.791 3.209 -8.060 1.00 0.00 C ATOM 1050 CD1 ILE A 64 122.825 4.022 -5.298 1.00 0.00 C ATOM 0 H ILE A 64 120.343 1.879 -6.538 1.00 0.00 H new ATOM 0 HA ILE A 64 121.390 4.388 -7.386 1.00 0.00 H new ATOM 0 HB ILE A 64 122.466 1.553 -7.710 1.00 0.00 H new ATOM 0 HG12 ILE A 64 121.974 2.035 -5.366 1.00 0.00 H new ATOM 0 HG13 ILE A 64 123.710 2.072 -5.599 1.00 0.00 H new ATOM 0 HG21 ILE A 64 124.688 2.650 -7.794 1.00 0.00 H new ATOM 0 HG22 ILE A 64 123.652 3.179 -9.141 1.00 0.00 H new ATOM 0 HG23 ILE A 64 123.899 4.244 -7.737 1.00 0.00 H new ATOM 0 HD11 ILE A 64 122.971 3.995 -4.218 1.00 0.00 H new ATOM 0 HD12 ILE A 64 123.649 4.564 -5.762 1.00 0.00 H new ATOM 0 HD13 ILE A 64 121.886 4.526 -5.525 1.00 0.00 H new ATOM 1062 N ALA A 65 120.632 2.302 -9.820 1.00 0.00 N ATOM 1063 CA ALA A 65 120.450 2.253 -11.299 1.00 0.00 C ATOM 1064 C ALA A 65 119.627 3.460 -11.764 1.00 0.00 C ATOM 1065 O ALA A 65 119.642 3.815 -12.927 1.00 0.00 O ATOM 1066 CB ALA A 65 119.725 0.961 -11.681 1.00 0.00 C ATOM 0 H ALA A 65 120.338 1.464 -9.318 1.00 0.00 H new ATOM 0 HA ALA A 65 121.427 2.280 -11.782 1.00 0.00 H new ATOM 0 HB1 ALA A 65 119.592 0.925 -12.762 1.00 0.00 H new ATOM 0 HB2 ALA A 65 120.316 0.103 -11.359 1.00 0.00 H new ATOM 0 HB3 ALA A 65 118.750 0.933 -11.194 1.00 0.00 H new ATOM 1072 N ARG A 66 118.900 4.090 -10.875 1.00 0.00 N ATOM 1073 CA ARG A 66 118.068 5.267 -11.284 1.00 0.00 C ATOM 1074 C ARG A 66 118.837 6.565 -11.012 1.00 0.00 C ATOM 1075 O ARG A 66 118.366 7.643 -11.318 1.00 0.00 O ATOM 1076 CB ARG A 66 116.765 5.276 -10.481 1.00 0.00 C ATOM 1077 CG ARG A 66 116.020 3.946 -10.663 1.00 0.00 C ATOM 1078 CD ARG A 66 115.611 3.753 -12.128 1.00 0.00 C ATOM 1079 NE ARG A 66 114.511 2.749 -12.202 1.00 0.00 N ATOM 1080 CZ ARG A 66 114.277 2.110 -13.317 1.00 0.00 C ATOM 1081 NH1 ARG A 66 114.559 2.669 -14.462 1.00 0.00 N ATOM 1082 NH2 ARG A 66 113.763 0.912 -13.285 1.00 0.00 N ATOM 0 H ARG A 66 118.846 3.843 -9.887 1.00 0.00 H new ATOM 0 HA ARG A 66 117.844 5.194 -12.348 1.00 0.00 H new ATOM 0 HB2 ARG A 66 116.981 5.438 -9.425 1.00 0.00 H new ATOM 0 HB3 ARG A 66 116.134 6.102 -10.808 1.00 0.00 H new ATOM 0 HG2 ARG A 66 116.656 3.120 -10.346 1.00 0.00 H new ATOM 0 HG3 ARG A 66 115.135 3.929 -10.027 1.00 0.00 H new ATOM 0 HD2 ARG A 66 115.283 4.701 -12.554 1.00 0.00 H new ATOM 0 HD3 ARG A 66 116.466 3.418 -12.715 1.00 0.00 H new ATOM 0 HE ARG A 66 113.939 2.560 -11.379 1.00 0.00 H new ATOM 0 HH11 ARG A 66 114.962 3.605 -14.487 1.00 0.00 H new ATOM 0 HH12 ARG A 66 114.376 2.169 -15.332 1.00 0.00 H new ATOM 0 HH21 ARG A 66 113.544 0.475 -12.390 1.00 0.00 H new ATOM 0 HH22 ARG A 66 113.580 0.412 -14.155 1.00 0.00 H new ATOM 1096 N GLY A 67 120.024 6.471 -10.459 1.00 0.00 N ATOM 1097 CA GLY A 67 120.845 7.700 -10.185 1.00 0.00 C ATOM 1098 C GLY A 67 120.988 7.936 -8.677 1.00 0.00 C ATOM 1099 O GLY A 67 121.832 8.697 -8.247 1.00 0.00 O ATOM 0 H GLY A 67 120.463 5.593 -10.184 1.00 0.00 H new ATOM 0 HA2 GLY A 67 121.832 7.591 -10.635 1.00 0.00 H new ATOM 0 HA3 GLY A 67 120.376 8.567 -10.650 1.00 0.00 H new ATOM 1103 N GLY A 68 120.181 7.298 -7.866 1.00 0.00 N ATOM 1104 CA GLY A 68 120.288 7.501 -6.384 1.00 0.00 C ATOM 1105 C GLY A 68 118.891 7.547 -5.769 1.00 0.00 C ATOM 1106 O GLY A 68 117.911 7.783 -6.448 1.00 0.00 O ATOM 0 H GLY A 68 119.454 6.647 -8.163 1.00 0.00 H new ATOM 0 HA2 GLY A 68 120.866 6.692 -5.937 1.00 0.00 H new ATOM 0 HA3 GLY A 68 120.820 8.428 -6.172 1.00 0.00 H new ATOM 1110 N LEU A 69 118.792 7.333 -4.487 1.00 0.00 N ATOM 1111 CA LEU A 69 117.456 7.376 -3.836 1.00 0.00 C ATOM 1112 C LEU A 69 116.838 8.753 -4.072 1.00 0.00 C ATOM 1113 O LEU A 69 115.679 8.878 -4.412 1.00 0.00 O ATOM 1114 CB LEU A 69 117.607 7.143 -2.330 1.00 0.00 C ATOM 1115 CG LEU A 69 116.220 6.892 -1.697 1.00 0.00 C ATOM 1116 CD1 LEU A 69 115.755 5.450 -1.974 1.00 0.00 C ATOM 1117 CD2 LEU A 69 116.285 7.128 -0.176 1.00 0.00 C ATOM 0 H LEU A 69 119.575 7.131 -3.865 1.00 0.00 H new ATOM 0 HA LEU A 69 116.817 6.600 -4.257 1.00 0.00 H new ATOM 0 HB2 LEU A 69 118.260 6.289 -2.149 1.00 0.00 H new ATOM 0 HB3 LEU A 69 118.078 8.009 -1.864 1.00 0.00 H new ATOM 0 HG LEU A 69 115.507 7.586 -2.142 1.00 0.00 H new ATOM 0 HD11 LEU A 69 114.776 5.290 -1.521 1.00 0.00 H new ATOM 0 HD12 LEU A 69 115.688 5.290 -3.050 1.00 0.00 H new ATOM 0 HD13 LEU A 69 116.471 4.748 -1.547 1.00 0.00 H new ATOM 0 HD21 LEU A 69 115.303 6.949 0.262 1.00 0.00 H new ATOM 0 HD22 LEU A 69 117.010 6.446 0.267 1.00 0.00 H new ATOM 0 HD23 LEU A 69 116.588 8.157 0.020 1.00 0.00 H new ATOM 1129 N VAL A 70 117.610 9.792 -3.890 1.00 0.00 N ATOM 1130 CA VAL A 70 117.071 11.164 -4.100 1.00 0.00 C ATOM 1131 C VAL A 70 116.600 11.301 -5.550 1.00 0.00 C ATOM 1132 O VAL A 70 115.577 11.894 -5.826 1.00 0.00 O ATOM 1133 CB VAL A 70 118.159 12.204 -3.811 1.00 0.00 C ATOM 1134 CG1 VAL A 70 117.565 13.603 -3.981 1.00 0.00 C ATOM 1135 CG2 VAL A 70 118.678 12.035 -2.373 1.00 0.00 C ATOM 0 H VAL A 70 118.589 9.748 -3.606 1.00 0.00 H new ATOM 0 HA VAL A 70 116.233 11.332 -3.423 1.00 0.00 H new ATOM 0 HB VAL A 70 118.989 12.066 -4.504 1.00 0.00 H new ATOM 0 HG11 VAL A 70 118.331 14.351 -3.777 1.00 0.00 H new ATOM 0 HG12 VAL A 70 117.203 13.723 -5.002 1.00 0.00 H new ATOM 0 HG13 VAL A 70 116.737 13.734 -3.285 1.00 0.00 H new ATOM 0 HG21 VAL A 70 119.451 12.778 -2.175 1.00 0.00 H new ATOM 0 HG22 VAL A 70 117.856 12.172 -1.671 1.00 0.00 H new ATOM 0 HG23 VAL A 70 119.096 11.036 -2.252 1.00 0.00 H new ATOM 1145 N ASP A 71 117.337 10.754 -6.481 1.00 0.00 N ATOM 1146 CA ASP A 71 116.922 10.855 -7.909 1.00 0.00 C ATOM 1147 C ASP A 71 115.576 10.151 -8.090 1.00 0.00 C ATOM 1148 O ASP A 71 114.738 10.575 -8.858 1.00 0.00 O ATOM 1149 CB ASP A 71 117.972 10.188 -8.801 1.00 0.00 C ATOM 1150 CG ASP A 71 119.250 11.031 -8.810 1.00 0.00 C ATOM 1151 OD1 ASP A 71 119.143 12.236 -8.659 1.00 0.00 O ATOM 1152 OD2 ASP A 71 120.314 10.455 -8.971 1.00 0.00 O ATOM 0 H ASP A 71 118.204 10.244 -6.314 1.00 0.00 H new ATOM 0 HA ASP A 71 116.830 11.904 -8.189 1.00 0.00 H new ATOM 0 HB2 ASP A 71 118.189 9.184 -8.436 1.00 0.00 H new ATOM 0 HB3 ASP A 71 117.587 10.082 -9.815 1.00 0.00 H new ATOM 1157 N VAL A 72 115.362 9.075 -7.396 1.00 0.00 N ATOM 1158 CA VAL A 72 114.068 8.359 -7.535 1.00 0.00 C ATOM 1159 C VAL A 72 112.951 9.227 -6.939 1.00 0.00 C ATOM 1160 O VAL A 72 111.855 9.292 -7.459 1.00 0.00 O ATOM 1161 CB VAL A 72 114.140 7.025 -6.785 1.00 0.00 C ATOM 1162 CG1 VAL A 72 112.748 6.390 -6.715 1.00 0.00 C ATOM 1163 CG2 VAL A 72 115.096 6.079 -7.514 1.00 0.00 C ATOM 0 H VAL A 72 116.024 8.660 -6.740 1.00 0.00 H new ATOM 0 HA VAL A 72 113.862 8.167 -8.588 1.00 0.00 H new ATOM 0 HB VAL A 72 114.504 7.203 -5.773 1.00 0.00 H new ATOM 0 HG11 VAL A 72 112.807 5.442 -6.180 1.00 0.00 H new ATOM 0 HG12 VAL A 72 112.068 7.061 -6.190 1.00 0.00 H new ATOM 0 HG13 VAL A 72 112.377 6.215 -7.725 1.00 0.00 H new ATOM 0 HG21 VAL A 72 115.147 5.130 -6.980 1.00 0.00 H new ATOM 0 HG22 VAL A 72 114.734 5.906 -8.528 1.00 0.00 H new ATOM 0 HG23 VAL A 72 116.089 6.526 -7.555 1.00 0.00 H new ATOM 1173 N ILE A 73 113.219 9.871 -5.833 1.00 0.00 N ATOM 1174 CA ILE A 73 112.175 10.714 -5.175 1.00 0.00 C ATOM 1175 C ILE A 73 111.850 11.961 -6.012 1.00 0.00 C ATOM 1176 O ILE A 73 110.707 12.208 -6.343 1.00 0.00 O ATOM 1177 CB ILE A 73 112.687 11.151 -3.800 1.00 0.00 C ATOM 1178 CG1 ILE A 73 112.914 9.909 -2.925 1.00 0.00 C ATOM 1179 CG2 ILE A 73 111.654 12.061 -3.136 1.00 0.00 C ATOM 1180 CD1 ILE A 73 113.682 10.280 -1.644 1.00 0.00 C ATOM 0 H ILE A 73 114.120 9.850 -5.355 1.00 0.00 H new ATOM 0 HA ILE A 73 111.264 10.123 -5.079 1.00 0.00 H new ATOM 0 HB ILE A 73 113.625 11.693 -3.915 1.00 0.00 H new ATOM 0 HG12 ILE A 73 111.955 9.462 -2.664 1.00 0.00 H new ATOM 0 HG13 ILE A 73 113.473 9.160 -3.486 1.00 0.00 H new ATOM 0 HG21 ILE A 73 112.019 12.372 -2.157 1.00 0.00 H new ATOM 0 HG22 ILE A 73 111.490 12.941 -3.759 1.00 0.00 H new ATOM 0 HG23 ILE A 73 110.715 11.520 -3.018 1.00 0.00 H new ATOM 0 HD11 ILE A 73 113.832 9.386 -1.038 1.00 0.00 H new ATOM 0 HD12 ILE A 73 114.650 10.705 -1.910 1.00 0.00 H new ATOM 0 HD13 ILE A 73 113.109 11.012 -1.075 1.00 0.00 H new ATOM 1192 N ASN A 74 112.830 12.764 -6.339 1.00 0.00 N ATOM 1193 CA ASN A 74 112.542 13.999 -7.131 1.00 0.00 C ATOM 1194 C ASN A 74 111.913 13.635 -8.481 1.00 0.00 C ATOM 1195 O ASN A 74 111.000 14.291 -8.942 1.00 0.00 O ATOM 1196 CB ASN A 74 113.829 14.805 -7.345 1.00 0.00 C ATOM 1197 CG ASN A 74 114.849 13.980 -8.122 1.00 0.00 C ATOM 1198 OD1 ASN A 74 114.656 12.807 -8.335 1.00 0.00 O ATOM 1199 ND2 ASN A 74 115.940 14.552 -8.551 1.00 0.00 N ATOM 0 H ASN A 74 113.810 12.620 -6.095 1.00 0.00 H new ATOM 0 HA ASN A 74 111.834 14.612 -6.573 1.00 0.00 H new ATOM 0 HB2 ASN A 74 113.605 15.723 -7.888 1.00 0.00 H new ATOM 0 HB3 ASN A 74 114.247 15.098 -6.382 1.00 0.00 H new ATOM 0 HD21 ASN A 74 116.632 14.008 -9.067 1.00 0.00 H new ATOM 0 HD22 ASN A 74 116.101 15.543 -8.370 1.00 0.00 H new ATOM 1206 N LYS A 75 112.380 12.595 -9.119 1.00 0.00 N ATOM 1207 CA LYS A 75 111.792 12.198 -10.437 1.00 0.00 C ATOM 1208 C LYS A 75 110.628 11.228 -10.195 1.00 0.00 C ATOM 1209 O LYS A 75 109.955 10.809 -11.115 1.00 0.00 O ATOM 1210 CB LYS A 75 112.866 11.515 -11.295 1.00 0.00 C ATOM 1211 CG LYS A 75 114.025 12.487 -11.585 1.00 0.00 C ATOM 1212 CD LYS A 75 113.578 13.589 -12.559 1.00 0.00 C ATOM 1213 CE LYS A 75 114.809 14.272 -13.168 1.00 0.00 C ATOM 1214 NZ LYS A 75 115.364 13.421 -14.259 1.00 0.00 N ATOM 0 H LYS A 75 113.141 12.003 -8.788 1.00 0.00 H new ATOM 0 HA LYS A 75 111.428 13.083 -10.959 1.00 0.00 H new ATOM 0 HB2 LYS A 75 113.244 10.632 -10.779 1.00 0.00 H new ATOM 0 HB3 LYS A 75 112.427 11.173 -12.232 1.00 0.00 H new ATOM 0 HG2 LYS A 75 114.371 12.936 -10.654 1.00 0.00 H new ATOM 0 HG3 LYS A 75 114.868 11.940 -12.008 1.00 0.00 H new ATOM 0 HD2 LYS A 75 112.960 13.161 -13.348 1.00 0.00 H new ATOM 0 HD3 LYS A 75 112.965 14.323 -12.036 1.00 0.00 H new ATOM 0 HE2 LYS A 75 114.537 15.252 -13.560 1.00 0.00 H new ATOM 0 HE3 LYS A 75 115.565 14.435 -12.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 116.402 13.477 -14.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 115.069 12.434 -14.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 115.009 13.758 -15.177 1.00 0.00 H new ATOM 1228 N LYS A 76 110.381 10.882 -8.960 1.00 0.00 N ATOM 1229 CA LYS A 76 109.253 9.954 -8.644 1.00 0.00 C ATOM 1230 C LYS A 76 109.345 8.676 -9.483 1.00 0.00 C ATOM 1231 O LYS A 76 108.374 8.240 -10.068 1.00 0.00 O ATOM 1232 CB LYS A 76 107.916 10.651 -8.916 1.00 0.00 C ATOM 1233 CG LYS A 76 107.674 11.716 -7.844 1.00 0.00 C ATOM 1234 CD LYS A 76 106.439 12.551 -8.210 1.00 0.00 C ATOM 1235 CE LYS A 76 105.177 11.668 -8.233 1.00 0.00 C ATOM 1236 NZ LYS A 76 104.947 11.175 -9.620 1.00 0.00 N ATOM 0 H LYS A 76 110.914 11.203 -8.152 1.00 0.00 H new ATOM 0 HA LYS A 76 109.318 9.682 -7.590 1.00 0.00 H new ATOM 0 HB2 LYS A 76 107.926 11.110 -9.905 1.00 0.00 H new ATOM 0 HB3 LYS A 76 107.105 9.922 -8.911 1.00 0.00 H new ATOM 0 HG2 LYS A 76 107.529 11.242 -6.873 1.00 0.00 H new ATOM 0 HG3 LYS A 76 108.548 12.362 -7.756 1.00 0.00 H new ATOM 0 HD2 LYS A 76 106.312 13.358 -7.489 1.00 0.00 H new ATOM 0 HD3 LYS A 76 106.583 13.015 -9.186 1.00 0.00 H new ATOM 0 HE2 LYS A 76 105.295 10.826 -7.550 1.00 0.00 H new ATOM 0 HE3 LYS A 76 104.314 12.238 -7.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 104.042 11.545 -9.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 105.719 11.500 -10.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 104.919 10.135 -9.619 1.00 0.00 H new ATOM 1250 N LEU A 77 110.496 8.059 -9.534 1.00 0.00 N ATOM 1251 CA LEU A 77 110.632 6.794 -10.320 1.00 0.00 C ATOM 1252 C LEU A 77 110.277 5.614 -9.412 1.00 0.00 C ATOM 1253 O LEU A 77 110.749 4.510 -9.590 1.00 0.00 O ATOM 1254 CB LEU A 77 112.070 6.645 -10.826 1.00 0.00 C ATOM 1255 CG LEU A 77 112.387 7.762 -11.832 1.00 0.00 C ATOM 1256 CD1 LEU A 77 113.887 7.750 -12.140 1.00 0.00 C ATOM 1257 CD2 LEU A 77 111.588 7.561 -13.135 1.00 0.00 C ATOM 0 H LEU A 77 111.347 8.374 -9.067 1.00 0.00 H new ATOM 0 HA LEU A 77 109.961 6.818 -11.179 1.00 0.00 H new ATOM 0 HB2 LEU A 77 112.766 6.689 -9.988 1.00 0.00 H new ATOM 0 HB3 LEU A 77 112.200 5.671 -11.298 1.00 0.00 H new ATOM 0 HG LEU A 77 112.104 8.721 -11.398 1.00 0.00 H new ATOM 0 HD11 LEU A 77 114.118 8.541 -12.854 1.00 0.00 H new ATOM 0 HD12 LEU A 77 114.449 7.915 -11.221 1.00 0.00 H new ATOM 0 HD13 LEU A 77 114.163 6.785 -12.565 1.00 0.00 H new ATOM 0 HD21 LEU A 77 111.826 8.362 -13.835 1.00 0.00 H new ATOM 0 HD22 LEU A 77 111.851 6.601 -13.579 1.00 0.00 H new ATOM 0 HD23 LEU A 77 110.521 7.578 -12.914 1.00 0.00 H new ATOM 1269 N TRP A 78 109.444 5.851 -8.436 1.00 0.00 N ATOM 1270 CA TRP A 78 109.042 4.759 -7.504 1.00 0.00 C ATOM 1271 C TRP A 78 108.169 3.746 -8.247 1.00 0.00 C ATOM 1272 O TRP A 78 108.027 2.613 -7.831 1.00 0.00 O ATOM 1273 CB TRP A 78 108.240 5.347 -6.339 1.00 0.00 C ATOM 1274 CG TRP A 78 109.155 6.043 -5.387 1.00 0.00 C ATOM 1275 CD1 TRP A 78 109.269 7.386 -5.256 1.00 0.00 C ATOM 1276 CD2 TRP A 78 110.079 5.458 -4.427 1.00 0.00 C ATOM 1277 NE1 TRP A 78 110.205 7.660 -4.274 1.00 0.00 N ATOM 1278 CE2 TRP A 78 110.733 6.504 -3.735 1.00 0.00 C ATOM 1279 CE3 TRP A 78 110.410 4.133 -4.096 1.00 0.00 C ATOM 1280 CZ2 TRP A 78 111.681 6.243 -2.746 1.00 0.00 C ATOM 1281 CZ3 TRP A 78 111.364 3.866 -3.101 1.00 0.00 C ATOM 1282 CH2 TRP A 78 111.998 4.920 -2.428 1.00 0.00 C ATOM 0 H TRP A 78 109.022 6.759 -8.243 1.00 0.00 H new ATOM 0 HA TRP A 78 109.937 4.266 -7.124 1.00 0.00 H new ATOM 0 HB2 TRP A 78 107.495 6.047 -6.717 1.00 0.00 H new ATOM 0 HB3 TRP A 78 107.700 4.554 -5.822 1.00 0.00 H new ATOM 0 HD1 TRP A 78 108.720 8.122 -5.824 1.00 0.00 H new ATOM 0 HE1 TRP A 78 110.472 8.601 -3.984 1.00 0.00 H new ATOM 0 HE3 TRP A 78 109.928 3.315 -4.610 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 112.167 7.058 -2.230 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 111.611 2.844 -2.853 1.00 0.00 H new ATOM 0 HH2 TRP A 78 112.731 4.709 -1.664 1.00 0.00 H new ATOM 1293 N GLN A 79 107.567 4.149 -9.331 1.00 0.00 N ATOM 1294 CA GLN A 79 106.689 3.207 -10.080 1.00 0.00 C ATOM 1295 C GLN A 79 107.499 1.995 -10.538 1.00 0.00 C ATOM 1296 O GLN A 79 107.031 0.875 -10.485 1.00 0.00 O ATOM 1297 CB GLN A 79 106.102 3.924 -11.299 1.00 0.00 C ATOM 1298 CG GLN A 79 105.042 4.933 -10.848 1.00 0.00 C ATOM 1299 CD GLN A 79 105.715 6.084 -10.101 1.00 0.00 C ATOM 1300 OE1 GLN A 79 106.434 6.868 -10.690 1.00 0.00 O ATOM 1301 NE2 GLN A 79 105.509 6.224 -8.820 1.00 0.00 N ATOM 0 H GLN A 79 107.644 5.085 -9.729 1.00 0.00 H new ATOM 0 HA GLN A 79 105.882 2.870 -9.430 1.00 0.00 H new ATOM 0 HB2 GLN A 79 106.893 4.435 -11.847 1.00 0.00 H new ATOM 0 HB3 GLN A 79 105.659 3.198 -11.981 1.00 0.00 H new ATOM 0 HG2 GLN A 79 104.498 5.315 -11.712 1.00 0.00 H new ATOM 0 HG3 GLN A 79 104.312 4.445 -10.203 1.00 0.00 H new ATOM 0 HE21 GLN A 79 104.906 5.567 -8.326 1.00 0.00 H new ATOM 0 HE22 GLN A 79 105.951 6.991 -8.313 1.00 0.00 H new ATOM 1310 N GLU A 80 108.712 2.194 -10.978 1.00 0.00 N ATOM 1311 CA GLU A 80 109.526 1.027 -11.421 1.00 0.00 C ATOM 1312 C GLU A 80 109.730 0.078 -10.235 1.00 0.00 C ATOM 1313 O GLU A 80 109.566 -1.122 -10.351 1.00 0.00 O ATOM 1314 CB GLU A 80 110.890 1.506 -11.933 1.00 0.00 C ATOM 1315 CG GLU A 80 110.722 2.257 -13.264 1.00 0.00 C ATOM 1316 CD GLU A 80 110.239 3.688 -13.004 1.00 0.00 C ATOM 1317 OE1 GLU A 80 110.238 4.099 -11.856 1.00 0.00 O ATOM 1318 OE2 GLU A 80 109.881 4.353 -13.963 1.00 0.00 O ATOM 0 H GLU A 80 109.170 3.103 -11.049 1.00 0.00 H new ATOM 0 HA GLU A 80 109.006 0.507 -12.226 1.00 0.00 H new ATOM 0 HB2 GLU A 80 111.355 2.159 -11.195 1.00 0.00 H new ATOM 0 HB3 GLU A 80 111.556 0.654 -12.069 1.00 0.00 H new ATOM 0 HG2 GLU A 80 111.670 2.277 -13.801 1.00 0.00 H new ATOM 0 HG3 GLU A 80 110.007 1.733 -13.898 1.00 0.00 H new ATOM 1325 N ILE A 81 110.080 0.604 -9.089 1.00 0.00 N ATOM 1326 CA ILE A 81 110.285 -0.273 -7.898 1.00 0.00 C ATOM 1327 C ILE A 81 108.935 -0.837 -7.448 1.00 0.00 C ATOM 1328 O ILE A 81 108.808 -2.010 -7.160 1.00 0.00 O ATOM 1329 CB ILE A 81 110.912 0.544 -6.761 1.00 0.00 C ATOM 1330 CG1 ILE A 81 112.356 0.923 -7.127 1.00 0.00 C ATOM 1331 CG2 ILE A 81 110.921 -0.287 -5.475 1.00 0.00 C ATOM 1332 CD1 ILE A 81 112.892 1.962 -6.135 1.00 0.00 C ATOM 0 H ILE A 81 110.232 1.600 -8.927 1.00 0.00 H new ATOM 0 HA ILE A 81 110.953 -1.095 -8.158 1.00 0.00 H new ATOM 0 HB ILE A 81 110.325 1.450 -6.609 1.00 0.00 H new ATOM 0 HG12 ILE A 81 112.988 0.035 -7.114 1.00 0.00 H new ATOM 0 HG13 ILE A 81 112.390 1.324 -8.140 1.00 0.00 H new ATOM 0 HG21 ILE A 81 111.367 0.295 -4.669 1.00 0.00 H new ATOM 0 HG22 ILE A 81 109.899 -0.554 -5.207 1.00 0.00 H new ATOM 0 HG23 ILE A 81 111.504 -1.195 -5.632 1.00 0.00 H new ATOM 0 HD11 ILE A 81 113.916 2.225 -6.401 1.00 0.00 H new ATOM 0 HD12 ILE A 81 112.267 2.854 -6.170 1.00 0.00 H new ATOM 0 HD13 ILE A 81 112.875 1.546 -5.128 1.00 0.00 H new ATOM 1344 N ILE A 82 107.920 -0.017 -7.398 1.00 0.00 N ATOM 1345 CA ILE A 82 106.583 -0.521 -6.980 1.00 0.00 C ATOM 1346 C ILE A 82 106.128 -1.602 -7.961 1.00 0.00 C ATOM 1347 O ILE A 82 105.514 -2.577 -7.576 1.00 0.00 O ATOM 1348 CB ILE A 82 105.570 0.625 -6.942 1.00 0.00 C ATOM 1349 CG1 ILE A 82 105.909 1.554 -5.771 1.00 0.00 C ATOM 1350 CG2 ILE A 82 104.160 0.062 -6.747 1.00 0.00 C ATOM 1351 CD1 ILE A 82 105.075 2.836 -5.850 1.00 0.00 C ATOM 0 H ILE A 82 107.960 0.976 -7.628 1.00 0.00 H new ATOM 0 HA ILE A 82 106.652 -0.946 -5.978 1.00 0.00 H new ATOM 0 HB ILE A 82 105.611 1.178 -7.880 1.00 0.00 H new ATOM 0 HG12 ILE A 82 105.717 1.045 -4.827 1.00 0.00 H new ATOM 0 HG13 ILE A 82 106.970 1.801 -5.790 1.00 0.00 H new ATOM 0 HG21 ILE A 82 103.442 0.881 -6.720 1.00 0.00 H new ATOM 0 HG22 ILE A 82 103.918 -0.607 -7.573 1.00 0.00 H new ATOM 0 HG23 ILE A 82 104.115 -0.490 -5.808 1.00 0.00 H new ATOM 0 HD11 ILE A 82 105.327 3.486 -5.012 1.00 0.00 H new ATOM 0 HD12 ILE A 82 105.289 3.352 -6.786 1.00 0.00 H new ATOM 0 HD13 ILE A 82 104.015 2.584 -5.808 1.00 0.00 H new ATOM 1363 N LYS A 83 106.420 -1.444 -9.225 1.00 0.00 N ATOM 1364 CA LYS A 83 105.992 -2.480 -10.205 1.00 0.00 C ATOM 1365 C LYS A 83 106.525 -3.829 -9.726 1.00 0.00 C ATOM 1366 O LYS A 83 105.829 -4.825 -9.746 1.00 0.00 O ATOM 1367 CB LYS A 83 106.572 -2.158 -11.587 1.00 0.00 C ATOM 1368 CG LYS A 83 106.113 -3.215 -12.599 1.00 0.00 C ATOM 1369 CD LYS A 83 106.692 -2.893 -13.978 1.00 0.00 C ATOM 1370 CE LYS A 83 106.297 -3.993 -14.967 1.00 0.00 C ATOM 1371 NZ LYS A 83 104.850 -3.868 -15.302 1.00 0.00 N ATOM 0 H LYS A 83 106.930 -0.652 -9.616 1.00 0.00 H new ATOM 0 HA LYS A 83 104.905 -2.504 -10.280 1.00 0.00 H new ATOM 0 HB2 LYS A 83 106.246 -1.168 -11.907 1.00 0.00 H new ATOM 0 HB3 LYS A 83 107.661 -2.135 -11.539 1.00 0.00 H new ATOM 0 HG2 LYS A 83 106.439 -4.205 -12.279 1.00 0.00 H new ATOM 0 HG3 LYS A 83 105.024 -3.238 -12.647 1.00 0.00 H new ATOM 0 HD2 LYS A 83 106.321 -1.928 -14.324 1.00 0.00 H new ATOM 0 HD3 LYS A 83 107.778 -2.815 -13.919 1.00 0.00 H new ATOM 0 HE2 LYS A 83 106.898 -3.915 -15.873 1.00 0.00 H new ATOM 0 HE3 LYS A 83 106.497 -4.974 -14.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 104.621 -4.501 -16.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 104.278 -4.130 -14.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 104.640 -2.886 -15.572 1.00 0.00 H new ATOM 1385 N GLY A 84 107.746 -3.864 -9.268 1.00 0.00 N ATOM 1386 CA GLY A 84 108.307 -5.146 -8.759 1.00 0.00 C ATOM 1387 C GLY A 84 107.466 -5.604 -7.563 1.00 0.00 C ATOM 1388 O GLY A 84 107.172 -6.771 -7.402 1.00 0.00 O ATOM 0 H GLY A 84 108.377 -3.064 -9.224 1.00 0.00 H new ATOM 0 HA2 GLY A 84 108.294 -5.903 -9.543 1.00 0.00 H new ATOM 0 HA3 GLY A 84 109.347 -5.013 -8.462 1.00 0.00 H new ATOM 1392 N LEU A 85 107.077 -4.675 -6.726 1.00 0.00 N ATOM 1393 CA LEU A 85 106.247 -5.000 -5.522 1.00 0.00 C ATOM 1394 C LEU A 85 104.809 -4.522 -5.768 1.00 0.00 C ATOM 1395 O LEU A 85 104.281 -3.717 -5.027 1.00 0.00 O ATOM 1396 CB LEU A 85 106.831 -4.283 -4.294 1.00 0.00 C ATOM 1397 CG LEU A 85 107.989 -5.102 -3.704 1.00 0.00 C ATOM 1398 CD1 LEU A 85 109.148 -5.174 -4.708 1.00 0.00 C ATOM 1399 CD2 LEU A 85 108.472 -4.431 -2.414 1.00 0.00 C ATOM 0 H LEU A 85 107.304 -3.686 -6.827 1.00 0.00 H new ATOM 0 HA LEU A 85 106.250 -6.075 -5.344 1.00 0.00 H new ATOM 0 HB2 LEU A 85 107.184 -3.291 -4.576 1.00 0.00 H new ATOM 0 HB3 LEU A 85 106.055 -4.143 -3.542 1.00 0.00 H new ATOM 0 HG LEU A 85 107.643 -6.113 -3.489 1.00 0.00 H new ATOM 0 HD11 LEU A 85 109.964 -5.757 -4.281 1.00 0.00 H new ATOM 0 HD12 LEU A 85 108.805 -5.650 -5.627 1.00 0.00 H new ATOM 0 HD13 LEU A 85 109.499 -4.167 -4.931 1.00 0.00 H new ATOM 0 HD21 LEU A 85 109.294 -5.007 -1.990 1.00 0.00 H new ATOM 0 HD22 LEU A 85 108.814 -3.420 -2.636 1.00 0.00 H new ATOM 0 HD23 LEU A 85 107.652 -4.387 -1.697 1.00 0.00 H new ATOM 1411 N HIS A 86 104.191 -4.998 -6.821 1.00 0.00 N ATOM 1412 CA HIS A 86 102.795 -4.572 -7.163 1.00 0.00 C ATOM 1413 C HIS A 86 101.948 -4.387 -5.896 1.00 0.00 C ATOM 1414 O HIS A 86 102.189 -5.003 -4.876 1.00 0.00 O ATOM 1415 CB HIS A 86 102.146 -5.648 -8.034 1.00 0.00 C ATOM 1416 CG HIS A 86 102.995 -5.894 -9.252 1.00 0.00 C ATOM 1417 ND1 HIS A 86 102.833 -5.169 -10.421 1.00 0.00 N ATOM 1418 CD2 HIS A 86 104.012 -6.782 -9.497 1.00 0.00 C ATOM 1419 CE1 HIS A 86 103.732 -5.631 -11.310 1.00 0.00 C ATOM 1420 NE2 HIS A 86 104.476 -6.614 -10.798 1.00 0.00 N ATOM 0 H HIS A 86 104.599 -5.673 -7.468 1.00 0.00 H new ATOM 0 HA HIS A 86 102.844 -3.621 -7.693 1.00 0.00 H new ATOM 0 HB2 HIS A 86 102.033 -6.571 -7.465 1.00 0.00 H new ATOM 0 HB3 HIS A 86 101.146 -5.333 -8.333 1.00 0.00 H new ATOM 0 HD2 HIS A 86 104.394 -7.502 -8.788 1.00 0.00 H new ATOM 0 HE1 HIS A 86 103.838 -5.252 -12.316 1.00 0.00 H new ATOM 0 HE2 HIS A 86 105.224 -7.131 -11.261 1.00 0.00 H new ATOM 1428 N LEU A 87 100.957 -3.534 -5.962 1.00 0.00 N ATOM 1429 CA LEU A 87 100.086 -3.293 -4.780 1.00 0.00 C ATOM 1430 C LEU A 87 99.212 -4.537 -4.532 1.00 0.00 C ATOM 1431 O LEU A 87 98.605 -5.038 -5.456 1.00 0.00 O ATOM 1432 CB LEU A 87 99.157 -2.106 -5.064 1.00 0.00 C ATOM 1433 CG LEU A 87 99.935 -0.791 -4.990 1.00 0.00 C ATOM 1434 CD1 LEU A 87 100.959 -0.719 -6.130 1.00 0.00 C ATOM 1435 CD2 LEU A 87 98.950 0.376 -5.108 1.00 0.00 C ATOM 0 H LEU A 87 100.715 -2.992 -6.792 1.00 0.00 H new ATOM 0 HA LEU A 87 100.710 -3.085 -3.911 1.00 0.00 H new ATOM 0 HB2 LEU A 87 98.708 -2.215 -6.051 1.00 0.00 H new ATOM 0 HB3 LEU A 87 98.340 -2.094 -4.342 1.00 0.00 H new ATOM 0 HG LEU A 87 100.465 -0.735 -4.039 1.00 0.00 H new ATOM 0 HD11 LEU A 87 101.507 0.221 -6.068 1.00 0.00 H new ATOM 0 HD12 LEU A 87 101.657 -1.552 -6.046 1.00 0.00 H new ATOM 0 HD13 LEU A 87 100.442 -0.775 -7.088 1.00 0.00 H new ATOM 0 HD21 LEU A 87 99.495 1.319 -5.056 1.00 0.00 H new ATOM 0 HD22 LEU A 87 98.424 0.313 -6.060 1.00 0.00 H new ATOM 0 HD23 LEU A 87 98.230 0.328 -4.291 1.00 0.00 H new ATOM 1447 N PRO A 88 99.105 -5.034 -3.315 1.00 0.00 N ATOM 1448 CA PRO A 88 98.234 -6.215 -3.076 1.00 0.00 C ATOM 1449 C PRO A 88 96.785 -5.921 -3.496 1.00 0.00 C ATOM 1450 O PRO A 88 96.299 -6.442 -4.480 1.00 0.00 O ATOM 1451 CB PRO A 88 98.354 -6.435 -1.553 1.00 0.00 C ATOM 1452 CG PRO A 88 99.297 -5.360 -0.974 1.00 0.00 C ATOM 1453 CD PRO A 88 99.817 -4.483 -2.125 1.00 0.00 C ATOM 0 HA PRO A 88 98.525 -7.094 -3.652 1.00 0.00 H new ATOM 0 HB2 PRO A 88 97.373 -6.371 -1.083 1.00 0.00 H new ATOM 0 HB3 PRO A 88 98.743 -7.432 -1.344 1.00 0.00 H new ATOM 0 HG2 PRO A 88 98.768 -4.748 -0.243 1.00 0.00 H new ATOM 0 HG3 PRO A 88 100.130 -5.831 -0.452 1.00 0.00 H new ATOM 0 HD2 PRO A 88 99.584 -3.430 -1.967 1.00 0.00 H new ATOM 0 HD3 PRO A 88 100.899 -4.557 -2.232 1.00 0.00 H new ATOM 1461 N SER A 89 96.101 -5.082 -2.761 1.00 0.00 N ATOM 1462 CA SER A 89 94.691 -4.752 -3.124 1.00 0.00 C ATOM 1463 C SER A 89 94.101 -3.751 -2.118 1.00 0.00 C ATOM 1464 O SER A 89 92.899 -3.635 -1.987 1.00 0.00 O ATOM 1465 CB SER A 89 93.852 -6.034 -3.118 1.00 0.00 C ATOM 1466 OG SER A 89 92.476 -5.701 -2.999 1.00 0.00 O ATOM 0 H SER A 89 96.457 -4.613 -1.928 1.00 0.00 H new ATOM 0 HA SER A 89 94.677 -4.304 -4.118 1.00 0.00 H new ATOM 0 HB2 SER A 89 94.023 -6.597 -4.036 1.00 0.00 H new ATOM 0 HB3 SER A 89 94.155 -6.675 -2.290 1.00 0.00 H new ATOM 0 HG SER A 89 92.355 -4.744 -3.171 1.00 0.00 H new ATOM 1472 N SER A 90 94.922 -3.029 -1.396 1.00 0.00 N ATOM 1473 CA SER A 90 94.359 -2.059 -0.406 1.00 0.00 C ATOM 1474 C SER A 90 95.389 -0.984 -0.027 1.00 0.00 C ATOM 1475 O SER A 90 95.034 0.059 0.484 1.00 0.00 O ATOM 1476 CB SER A 90 93.947 -2.822 0.855 1.00 0.00 C ATOM 1477 OG SER A 90 95.043 -2.863 1.760 1.00 0.00 O ATOM 0 H SER A 90 95.940 -3.067 -1.447 1.00 0.00 H new ATOM 0 HA SER A 90 93.499 -1.565 -0.858 1.00 0.00 H new ATOM 0 HB2 SER A 90 93.091 -2.336 1.324 1.00 0.00 H new ATOM 0 HB3 SER A 90 93.637 -3.834 0.596 1.00 0.00 H new ATOM 0 HG SER A 90 94.781 -3.350 2.569 1.00 0.00 H new ATOM 1483 N ILE A 91 96.658 -1.223 -0.246 1.00 0.00 N ATOM 1484 CA ILE A 91 97.685 -0.203 0.133 1.00 0.00 C ATOM 1485 C ILE A 91 98.017 0.666 -1.081 1.00 0.00 C ATOM 1486 O ILE A 91 98.672 0.232 -2.008 1.00 0.00 O ATOM 1487 CB ILE A 91 98.947 -0.928 0.604 1.00 0.00 C ATOM 1488 CG1 ILE A 91 98.600 -1.798 1.816 1.00 0.00 C ATOM 1489 CG2 ILE A 91 100.008 0.100 1.008 1.00 0.00 C ATOM 1490 CD1 ILE A 91 99.779 -2.715 2.146 1.00 0.00 C ATOM 0 H ILE A 91 97.026 -2.075 -0.668 1.00 0.00 H new ATOM 0 HA ILE A 91 97.301 0.432 0.932 1.00 0.00 H new ATOM 0 HB ILE A 91 99.334 -1.551 -0.202 1.00 0.00 H new ATOM 0 HG12 ILE A 91 98.366 -1.167 2.674 1.00 0.00 H new ATOM 0 HG13 ILE A 91 97.711 -2.393 1.606 1.00 0.00 H new ATOM 0 HG21 ILE A 91 100.907 -0.417 1.343 1.00 0.00 H new ATOM 0 HG22 ILE A 91 100.250 0.729 0.151 1.00 0.00 H new ATOM 0 HG23 ILE A 91 99.623 0.721 1.817 1.00 0.00 H new ATOM 0 HD11 ILE A 91 99.529 -3.333 3.009 1.00 0.00 H new ATOM 0 HD12 ILE A 91 99.992 -3.356 1.290 1.00 0.00 H new ATOM 0 HD13 ILE A 91 100.657 -2.111 2.374 1.00 0.00 H new ATOM 1502 N THR A 92 97.574 1.898 -1.073 1.00 0.00 N ATOM 1503 CA THR A 92 97.858 2.824 -2.218 1.00 0.00 C ATOM 1504 C THR A 92 98.945 3.806 -1.787 1.00 0.00 C ATOM 1505 O THR A 92 99.013 4.923 -2.263 1.00 0.00 O ATOM 1506 CB THR A 92 96.585 3.610 -2.573 1.00 0.00 C ATOM 1507 OG1 THR A 92 96.557 4.828 -1.840 1.00 0.00 O ATOM 1508 CG2 THR A 92 95.353 2.782 -2.216 1.00 0.00 C ATOM 0 H THR A 92 97.024 2.307 -0.318 1.00 0.00 H new ATOM 0 HA THR A 92 98.184 2.252 -3.087 1.00 0.00 H new ATOM 0 HB THR A 92 96.584 3.825 -3.642 1.00 0.00 H new ATOM 0 HG1 THR A 92 97.254 5.429 -2.177 1.00 0.00 H new ATOM 0 HG21 THR A 92 94.453 3.342 -2.469 1.00 0.00 H new ATOM 0 HG22 THR A 92 95.368 1.847 -2.776 1.00 0.00 H new ATOM 0 HG23 THR A 92 95.357 2.565 -1.148 1.00 0.00 H new ATOM 1516 N SER A 93 99.788 3.396 -0.878 1.00 0.00 N ATOM 1517 CA SER A 93 100.878 4.289 -0.384 1.00 0.00 C ATOM 1518 C SER A 93 102.182 3.493 -0.316 1.00 0.00 C ATOM 1519 O SER A 93 103.006 3.702 0.551 1.00 0.00 O ATOM 1520 CB SER A 93 100.505 4.797 1.010 1.00 0.00 C ATOM 1521 OG SER A 93 100.919 3.846 1.983 1.00 0.00 O ATOM 0 H SER A 93 99.768 2.470 -0.451 1.00 0.00 H new ATOM 0 HA SER A 93 101.008 5.136 -1.057 1.00 0.00 H new ATOM 0 HB2 SER A 93 100.982 5.759 1.199 1.00 0.00 H new ATOM 0 HB3 SER A 93 99.429 4.957 1.076 1.00 0.00 H new ATOM 0 HG SER A 93 101.897 3.779 1.980 1.00 0.00 H new ATOM 1527 N ALA A 94 102.372 2.579 -1.228 1.00 0.00 N ATOM 1528 CA ALA A 94 103.617 1.762 -1.220 1.00 0.00 C ATOM 1529 C ALA A 94 104.830 2.683 -1.363 1.00 0.00 C ATOM 1530 O ALA A 94 105.844 2.491 -0.719 1.00 0.00 O ATOM 1531 CB ALA A 94 103.585 0.773 -2.385 1.00 0.00 C ATOM 0 H ALA A 94 101.717 2.363 -1.979 1.00 0.00 H new ATOM 0 HA ALA A 94 103.687 1.213 -0.281 1.00 0.00 H new ATOM 0 HB1 ALA A 94 104.496 0.175 -2.380 1.00 0.00 H new ATOM 0 HB2 ALA A 94 102.720 0.118 -2.282 1.00 0.00 H new ATOM 0 HB3 ALA A 94 103.516 1.320 -3.325 1.00 0.00 H new ATOM 1537 N ALA A 95 104.738 3.687 -2.191 1.00 0.00 N ATOM 1538 CA ALA A 95 105.891 4.616 -2.355 1.00 0.00 C ATOM 1539 C ALA A 95 106.217 5.223 -0.988 1.00 0.00 C ATOM 1540 O ALA A 95 107.349 5.220 -0.546 1.00 0.00 O ATOM 1541 CB ALA A 95 105.515 5.732 -3.341 1.00 0.00 C ATOM 0 H ALA A 95 103.919 3.904 -2.758 1.00 0.00 H new ATOM 0 HA ALA A 95 106.757 4.079 -2.743 1.00 0.00 H new ATOM 0 HB1 ALA A 95 106.359 6.411 -3.461 1.00 0.00 H new ATOM 0 HB2 ALA A 95 105.262 5.294 -4.307 1.00 0.00 H new ATOM 0 HB3 ALA A 95 104.657 6.283 -2.956 1.00 0.00 H new ATOM 1547 N PHE A 96 105.224 5.733 -0.315 1.00 0.00 N ATOM 1548 CA PHE A 96 105.457 6.333 1.029 1.00 0.00 C ATOM 1549 C PHE A 96 106.028 5.263 1.963 1.00 0.00 C ATOM 1550 O PHE A 96 106.980 5.488 2.684 1.00 0.00 O ATOM 1551 CB PHE A 96 104.124 6.834 1.592 1.00 0.00 C ATOM 1552 CG PHE A 96 104.341 7.445 2.956 1.00 0.00 C ATOM 1553 CD1 PHE A 96 104.296 6.641 4.102 1.00 0.00 C ATOM 1554 CD2 PHE A 96 104.587 8.818 3.073 1.00 0.00 C ATOM 1555 CE1 PHE A 96 104.497 7.211 5.365 1.00 0.00 C ATOM 1556 CE2 PHE A 96 104.786 9.388 4.336 1.00 0.00 C ATOM 1557 CZ PHE A 96 104.741 8.585 5.482 1.00 0.00 C ATOM 0 H PHE A 96 104.257 5.760 -0.639 1.00 0.00 H new ATOM 0 HA PHE A 96 106.158 7.164 0.948 1.00 0.00 H new ATOM 0 HB2 PHE A 96 103.689 7.572 0.918 1.00 0.00 H new ATOM 0 HB3 PHE A 96 103.415 6.009 1.662 1.00 0.00 H new ATOM 0 HD1 PHE A 96 104.106 5.582 4.011 1.00 0.00 H new ATOM 0 HD2 PHE A 96 104.623 9.437 2.189 1.00 0.00 H new ATOM 0 HE1 PHE A 96 104.464 6.591 6.249 1.00 0.00 H new ATOM 0 HE2 PHE A 96 104.974 10.448 4.426 1.00 0.00 H new ATOM 0 HZ PHE A 96 104.894 9.025 6.456 1.00 0.00 H new ATOM 1567 N THR A 97 105.441 4.098 1.960 1.00 0.00 N ATOM 1568 CA THR A 97 105.933 3.005 2.844 1.00 0.00 C ATOM 1569 C THR A 97 107.346 2.589 2.422 1.00 0.00 C ATOM 1570 O THR A 97 108.192 2.311 3.243 1.00 0.00 O ATOM 1571 CB THR A 97 104.983 1.805 2.727 1.00 0.00 C ATOM 1572 OG1 THR A 97 103.679 2.203 3.128 1.00 0.00 O ATOM 1573 CG2 THR A 97 105.464 0.665 3.629 1.00 0.00 C ATOM 0 H THR A 97 104.638 3.855 1.380 1.00 0.00 H new ATOM 0 HA THR A 97 105.963 3.354 3.876 1.00 0.00 H new ATOM 0 HB THR A 97 104.966 1.459 1.694 1.00 0.00 H new ATOM 0 HG1 THR A 97 103.067 1.441 3.054 1.00 0.00 H new ATOM 0 HG21 THR A 97 104.784 -0.182 3.539 1.00 0.00 H new ATOM 0 HG22 THR A 97 106.466 0.359 3.326 1.00 0.00 H new ATOM 0 HG23 THR A 97 105.486 1.005 4.664 1.00 0.00 H new ATOM 1581 N LEU A 98 107.604 2.523 1.146 1.00 0.00 N ATOM 1582 CA LEU A 98 108.960 2.104 0.685 1.00 0.00 C ATOM 1583 C LEU A 98 110.020 3.147 1.068 1.00 0.00 C ATOM 1584 O LEU A 98 111.028 2.825 1.666 1.00 0.00 O ATOM 1585 CB LEU A 98 108.943 1.940 -0.841 1.00 0.00 C ATOM 1586 CG LEU A 98 108.142 0.681 -1.234 1.00 0.00 C ATOM 1587 CD1 LEU A 98 107.663 0.808 -2.684 1.00 0.00 C ATOM 1588 CD2 LEU A 98 109.023 -0.572 -1.119 1.00 0.00 C ATOM 0 H LEU A 98 106.939 2.740 0.404 1.00 0.00 H new ATOM 0 HA LEU A 98 109.214 1.160 1.167 1.00 0.00 H new ATOM 0 HB2 LEU A 98 108.499 2.821 -1.304 1.00 0.00 H new ATOM 0 HB3 LEU A 98 109.963 1.863 -1.217 1.00 0.00 H new ATOM 0 HG LEU A 98 107.290 0.590 -0.560 1.00 0.00 H new ATOM 0 HD11 LEU A 98 107.098 -0.082 -2.960 1.00 0.00 H new ATOM 0 HD12 LEU A 98 107.026 1.687 -2.781 1.00 0.00 H new ATOM 0 HD13 LEU A 98 108.524 0.909 -3.344 1.00 0.00 H new ATOM 0 HD21 LEU A 98 108.443 -1.451 -1.400 1.00 0.00 H new ATOM 0 HD22 LEU A 98 109.881 -0.476 -1.784 1.00 0.00 H new ATOM 0 HD23 LEU A 98 109.371 -0.679 -0.092 1.00 0.00 H new ATOM 1600 N ARG A 99 109.820 4.384 0.698 1.00 0.00 N ATOM 1601 CA ARG A 99 110.838 5.434 1.011 1.00 0.00 C ATOM 1602 C ARG A 99 111.060 5.577 2.525 1.00 0.00 C ATOM 1603 O ARG A 99 112.173 5.771 2.971 1.00 0.00 O ATOM 1604 CB ARG A 99 110.396 6.779 0.418 1.00 0.00 C ATOM 1605 CG ARG A 99 109.190 7.328 1.177 1.00 0.00 C ATOM 1606 CD ARG A 99 108.658 8.563 0.449 1.00 0.00 C ATOM 1607 NE ARG A 99 108.018 8.145 -0.830 1.00 0.00 N ATOM 1608 CZ ARG A 99 107.629 9.046 -1.689 1.00 0.00 C ATOM 1609 NH1 ARG A 99 107.310 10.244 -1.280 1.00 0.00 N ATOM 1610 NH2 ARG A 99 107.561 8.750 -2.958 1.00 0.00 N ATOM 0 H ARG A 99 108.998 4.714 0.193 1.00 0.00 H new ATOM 0 HA ARG A 99 111.784 5.127 0.564 1.00 0.00 H new ATOM 0 HB2 ARG A 99 111.219 7.492 0.466 1.00 0.00 H new ATOM 0 HB3 ARG A 99 110.144 6.654 -0.635 1.00 0.00 H new ATOM 0 HG2 ARG A 99 108.412 6.568 1.246 1.00 0.00 H new ATOM 0 HG3 ARG A 99 109.474 7.587 2.197 1.00 0.00 H new ATOM 0 HD2 ARG A 99 107.936 9.086 1.076 1.00 0.00 H new ATOM 0 HD3 ARG A 99 109.472 9.261 0.251 1.00 0.00 H new ATOM 0 HE ARG A 99 107.884 7.155 -1.034 1.00 0.00 H new ATOM 0 HH11 ARG A 99 107.365 10.476 -0.288 1.00 0.00 H new ATOM 0 HH12 ARG A 99 107.006 10.948 -1.952 1.00 0.00 H new ATOM 0 HH21 ARG A 99 107.812 7.814 -3.278 1.00 0.00 H new ATOM 0 HH22 ARG A 99 107.257 9.454 -3.630 1.00 0.00 H new ATOM 1624 N THR A 100 110.025 5.511 3.320 1.00 0.00 N ATOM 1625 CA THR A 100 110.224 5.682 4.792 1.00 0.00 C ATOM 1626 C THR A 100 111.132 4.571 5.348 1.00 0.00 C ATOM 1627 O THR A 100 111.978 4.818 6.184 1.00 0.00 O ATOM 1628 CB THR A 100 108.858 5.694 5.510 1.00 0.00 C ATOM 1629 OG1 THR A 100 108.943 6.522 6.661 1.00 0.00 O ATOM 1630 CG2 THR A 100 108.437 4.282 5.934 1.00 0.00 C ATOM 0 H THR A 100 109.063 5.349 3.021 1.00 0.00 H new ATOM 0 HA THR A 100 110.717 6.637 4.974 1.00 0.00 H new ATOM 0 HB THR A 100 108.110 6.080 4.817 1.00 0.00 H new ATOM 0 HG1 THR A 100 108.077 6.534 7.120 1.00 0.00 H new ATOM 0 HG21 THR A 100 107.471 4.326 6.437 1.00 0.00 H new ATOM 0 HG22 THR A 100 108.359 3.646 5.053 1.00 0.00 H new ATOM 0 HG23 THR A 100 109.182 3.869 6.615 1.00 0.00 H new ATOM 1638 N GLN A 101 110.973 3.354 4.895 1.00 0.00 N ATOM 1639 CA GLN A 101 111.842 2.260 5.416 1.00 0.00 C ATOM 1640 C GLN A 101 113.269 2.487 4.921 1.00 0.00 C ATOM 1641 O GLN A 101 114.232 2.301 5.641 1.00 0.00 O ATOM 1642 CB GLN A 101 111.329 0.909 4.910 1.00 0.00 C ATOM 1643 CG GLN A 101 110.001 0.579 5.593 1.00 0.00 C ATOM 1644 CD GLN A 101 109.427 -0.711 5.001 1.00 0.00 C ATOM 1645 OE1 GLN A 101 109.768 -1.090 3.898 1.00 0.00 O ATOM 1646 NE2 GLN A 101 108.564 -1.403 5.691 1.00 0.00 N ATOM 0 H GLN A 101 110.287 3.074 4.195 1.00 0.00 H new ATOM 0 HA GLN A 101 111.824 2.260 6.506 1.00 0.00 H new ATOM 0 HB2 GLN A 101 111.196 0.940 3.829 1.00 0.00 H new ATOM 0 HB3 GLN A 101 112.061 0.129 5.119 1.00 0.00 H new ATOM 0 HG2 GLN A 101 110.151 0.463 6.666 1.00 0.00 H new ATOM 0 HG3 GLN A 101 109.296 1.399 5.456 1.00 0.00 H new ATOM 0 HE21 GLN A 101 108.278 -1.084 6.617 1.00 0.00 H new ATOM 0 HE22 GLN A 101 108.175 -2.263 5.305 1.00 0.00 H new ATOM 1655 N TYR A 102 113.406 2.903 3.693 1.00 0.00 N ATOM 1656 CA TYR A 102 114.760 3.159 3.138 1.00 0.00 C ATOM 1657 C TYR A 102 115.428 4.237 3.989 1.00 0.00 C ATOM 1658 O TYR A 102 116.560 4.110 4.415 1.00 0.00 O ATOM 1659 CB TYR A 102 114.624 3.659 1.698 1.00 0.00 C ATOM 1660 CG TYR A 102 115.963 3.590 0.998 1.00 0.00 C ATOM 1661 CD1 TYR A 102 116.963 4.525 1.285 1.00 0.00 C ATOM 1662 CD2 TYR A 102 116.202 2.584 0.055 1.00 0.00 C ATOM 1663 CE1 TYR A 102 118.198 4.451 0.625 1.00 0.00 C ATOM 1664 CE2 TYR A 102 117.434 2.511 -0.602 1.00 0.00 C ATOM 1665 CZ TYR A 102 118.432 3.446 -0.317 1.00 0.00 C ATOM 1666 OH TYR A 102 119.649 3.376 -0.964 1.00 0.00 O ATOM 0 H TYR A 102 112.634 3.077 3.049 1.00 0.00 H new ATOM 0 HA TYR A 102 115.357 2.247 3.149 1.00 0.00 H new ATOM 0 HB2 TYR A 102 113.893 3.054 1.162 1.00 0.00 H new ATOM 0 HB3 TYR A 102 114.254 4.684 1.694 1.00 0.00 H new ATOM 0 HD1 TYR A 102 116.784 5.302 2.013 1.00 0.00 H new ATOM 0 HD2 TYR A 102 115.431 1.861 -0.166 1.00 0.00 H new ATOM 0 HE1 TYR A 102 118.970 5.173 0.845 1.00 0.00 H new ATOM 0 HE2 TYR A 102 117.614 1.733 -1.329 1.00 0.00 H new ATOM 0 HH TYR A 102 120.213 2.704 -0.528 1.00 0.00 H new ATOM 1676 N MET A 103 114.717 5.300 4.233 1.00 0.00 N ATOM 1677 CA MET A 103 115.266 6.414 5.049 1.00 0.00 C ATOM 1678 C MET A 103 115.573 5.925 6.463 1.00 0.00 C ATOM 1679 O MET A 103 116.466 6.419 7.122 1.00 0.00 O ATOM 1680 CB MET A 103 114.234 7.541 5.124 1.00 0.00 C ATOM 1681 CG MET A 103 114.101 8.217 3.757 1.00 0.00 C ATOM 1682 SD MET A 103 112.871 9.542 3.861 1.00 0.00 S ATOM 1683 CE MET A 103 112.874 9.995 2.109 1.00 0.00 C ATOM 0 H MET A 103 113.765 5.445 3.896 1.00 0.00 H new ATOM 0 HA MET A 103 116.184 6.777 4.586 1.00 0.00 H new ATOM 0 HB2 MET A 103 113.269 7.142 5.438 1.00 0.00 H new ATOM 0 HB3 MET A 103 114.535 8.273 5.874 1.00 0.00 H new ATOM 0 HG2 MET A 103 115.063 8.622 3.444 1.00 0.00 H new ATOM 0 HG3 MET A 103 113.803 7.487 3.005 1.00 0.00 H new ATOM 0 HE1 MET A 103 112.171 10.811 1.943 1.00 0.00 H new ATOM 0 HE2 MET A 103 113.875 10.313 1.817 1.00 0.00 H new ATOM 0 HE3 MET A 103 112.578 9.134 1.510 1.00 0.00 H new ATOM 1693 N LYS A 104 114.814 4.988 6.952 1.00 0.00 N ATOM 1694 CA LYS A 104 115.033 4.507 8.342 1.00 0.00 C ATOM 1695 C LYS A 104 116.449 3.926 8.518 1.00 0.00 C ATOM 1696 O LYS A 104 117.067 4.136 9.544 1.00 0.00 O ATOM 1697 CB LYS A 104 113.982 3.442 8.683 1.00 0.00 C ATOM 1698 CG LYS A 104 113.862 3.299 10.207 1.00 0.00 C ATOM 1699 CD LYS A 104 112.711 2.337 10.559 1.00 0.00 C ATOM 1700 CE LYS A 104 111.374 3.087 10.582 1.00 0.00 C ATOM 1701 NZ LYS A 104 110.304 2.171 11.069 1.00 0.00 N ATOM 0 H LYS A 104 114.051 4.534 6.450 1.00 0.00 H new ATOM 0 HA LYS A 104 114.934 5.355 9.020 1.00 0.00 H new ATOM 0 HB2 LYS A 104 113.018 3.720 8.258 1.00 0.00 H new ATOM 0 HB3 LYS A 104 114.262 2.486 8.240 1.00 0.00 H new ATOM 0 HG2 LYS A 104 114.799 2.924 10.620 1.00 0.00 H new ATOM 0 HG3 LYS A 104 113.682 4.275 10.659 1.00 0.00 H new ATOM 0 HD2 LYS A 104 112.669 1.528 9.829 1.00 0.00 H new ATOM 0 HD3 LYS A 104 112.895 1.880 11.531 1.00 0.00 H new ATOM 0 HE2 LYS A 104 111.445 3.960 11.231 1.00 0.00 H new ATOM 0 HE3 LYS A 104 111.131 3.451 9.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 109.395 2.677 11.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 110.232 1.351 10.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 110.537 1.845 12.029 1.00 0.00 H new ATOM 1715 N TYR A 105 116.977 3.189 7.556 1.00 0.00 N ATOM 1716 CA TYR A 105 118.362 2.609 7.742 1.00 0.00 C ATOM 1717 C TYR A 105 119.195 2.651 6.454 1.00 0.00 C ATOM 1718 O TYR A 105 120.368 2.333 6.489 1.00 0.00 O ATOM 1719 CB TYR A 105 118.266 1.138 8.150 1.00 0.00 C ATOM 1720 CG TYR A 105 117.449 0.980 9.408 1.00 0.00 C ATOM 1721 CD1 TYR A 105 118.024 1.238 10.658 1.00 0.00 C ATOM 1722 CD2 TYR A 105 116.117 0.564 9.320 1.00 0.00 C ATOM 1723 CE1 TYR A 105 117.260 1.081 11.822 1.00 0.00 C ATOM 1724 CE2 TYR A 105 115.356 0.406 10.479 1.00 0.00 C ATOM 1725 CZ TYR A 105 115.924 0.666 11.731 1.00 0.00 C ATOM 1726 OH TYR A 105 115.168 0.511 12.874 1.00 0.00 O ATOM 0 H TYR A 105 116.523 2.967 6.670 1.00 0.00 H new ATOM 0 HA TYR A 105 118.842 3.217 8.509 1.00 0.00 H new ATOM 0 HB2 TYR A 105 117.814 0.562 7.343 1.00 0.00 H new ATOM 0 HB3 TYR A 105 119.266 0.734 8.308 1.00 0.00 H new ATOM 0 HD1 TYR A 105 119.054 1.557 10.725 1.00 0.00 H new ATOM 0 HD2 TYR A 105 115.677 0.365 8.354 1.00 0.00 H new ATOM 0 HE1 TYR A 105 117.700 1.279 12.788 1.00 0.00 H new ATOM 0 HE2 TYR A 105 114.328 0.083 10.410 1.00 0.00 H new ATOM 0 HH TYR A 105 114.264 0.219 12.631 1.00 0.00 H new ATOM 1736 N LEU A 106 118.626 2.980 5.316 1.00 0.00 N ATOM 1737 CA LEU A 106 119.436 2.959 4.045 1.00 0.00 C ATOM 1738 C LEU A 106 119.821 4.368 3.566 1.00 0.00 C ATOM 1739 O LEU A 106 120.802 4.521 2.865 1.00 0.00 O ATOM 1740 CB LEU A 106 118.635 2.225 2.957 1.00 0.00 C ATOM 1741 CG LEU A 106 118.641 0.700 3.241 1.00 0.00 C ATOM 1742 CD1 LEU A 106 117.395 0.043 2.633 1.00 0.00 C ATOM 1743 CD2 LEU A 106 119.892 0.053 2.623 1.00 0.00 C ATOM 0 H LEU A 106 117.651 3.259 5.208 1.00 0.00 H new ATOM 0 HA LEU A 106 120.370 2.435 4.248 1.00 0.00 H new ATOM 0 HB2 LEU A 106 117.610 2.596 2.934 1.00 0.00 H new ATOM 0 HB3 LEU A 106 119.068 2.424 1.977 1.00 0.00 H new ATOM 0 HG LEU A 106 118.644 0.552 4.321 1.00 0.00 H new ATOM 0 HD11 LEU A 106 117.411 -1.027 2.839 1.00 0.00 H new ATOM 0 HD12 LEU A 106 116.500 0.484 3.072 1.00 0.00 H new ATOM 0 HD13 LEU A 106 117.388 0.205 1.555 1.00 0.00 H new ATOM 0 HD21 LEU A 106 119.887 -1.018 2.828 1.00 0.00 H new ATOM 0 HD22 LEU A 106 119.891 0.216 1.545 1.00 0.00 H new ATOM 0 HD23 LEU A 106 120.786 0.501 3.057 1.00 0.00 H new ATOM 1755 N TYR A 107 119.111 5.408 3.928 1.00 0.00 N ATOM 1756 CA TYR A 107 119.554 6.756 3.449 1.00 0.00 C ATOM 1757 C TYR A 107 120.899 7.122 4.099 1.00 0.00 C ATOM 1758 O TYR A 107 121.746 7.698 3.446 1.00 0.00 O ATOM 1759 CB TYR A 107 118.500 7.848 3.710 1.00 0.00 C ATOM 1760 CG TYR A 107 119.084 9.198 3.363 1.00 0.00 C ATOM 1761 CD1 TYR A 107 119.025 9.669 2.047 1.00 0.00 C ATOM 1762 CD2 TYR A 107 119.685 9.975 4.359 1.00 0.00 C ATOM 1763 CE1 TYR A 107 119.566 10.920 1.727 1.00 0.00 C ATOM 1764 CE2 TYR A 107 120.226 11.226 4.040 1.00 0.00 C ATOM 1765 CZ TYR A 107 120.167 11.698 2.724 1.00 0.00 C ATOM 1766 OH TYR A 107 120.703 12.931 2.409 1.00 0.00 O ATOM 0 H TYR A 107 118.275 5.389 4.512 1.00 0.00 H new ATOM 0 HA TYR A 107 119.679 6.700 2.368 1.00 0.00 H new ATOM 0 HB2 TYR A 107 117.609 7.660 3.112 1.00 0.00 H new ATOM 0 HB3 TYR A 107 118.192 7.830 4.755 1.00 0.00 H new ATOM 0 HD1 TYR A 107 118.562 9.068 1.278 1.00 0.00 H new ATOM 0 HD2 TYR A 107 119.732 9.610 5.374 1.00 0.00 H new ATOM 0 HE1 TYR A 107 119.520 11.285 0.712 1.00 0.00 H new ATOM 0 HE2 TYR A 107 120.689 11.827 4.809 1.00 0.00 H new ATOM 0 HH TYR A 107 120.206 13.322 1.660 1.00 0.00 H new ATOM 1776 N PRO A 108 121.136 6.781 5.355 1.00 0.00 N ATOM 1777 CA PRO A 108 122.446 7.101 5.981 1.00 0.00 C ATOM 1778 C PRO A 108 123.534 6.169 5.435 1.00 0.00 C ATOM 1779 O PRO A 108 124.640 6.580 5.143 1.00 0.00 O ATOM 1780 CB PRO A 108 122.176 6.844 7.482 1.00 0.00 C ATOM 1781 CG PRO A 108 120.713 6.379 7.635 1.00 0.00 C ATOM 1782 CD PRO A 108 120.162 6.073 6.235 1.00 0.00 C ATOM 0 HA PRO A 108 122.800 8.113 5.783 1.00 0.00 H new ATOM 0 HB2 PRO A 108 122.858 6.086 7.867 1.00 0.00 H new ATOM 0 HB3 PRO A 108 122.349 7.752 8.060 1.00 0.00 H new ATOM 0 HG2 PRO A 108 120.659 5.493 8.267 1.00 0.00 H new ATOM 0 HG3 PRO A 108 120.116 7.152 8.118 1.00 0.00 H new ATOM 0 HD2 PRO A 108 120.134 5.002 6.033 1.00 0.00 H new ATOM 0 HD3 PRO A 108 119.147 6.449 6.105 1.00 0.00 H new ATOM 1790 N TYR A 109 123.208 4.912 5.288 1.00 0.00 N ATOM 1791 CA TYR A 109 124.193 3.933 4.755 1.00 0.00 C ATOM 1792 C TYR A 109 124.541 4.317 3.314 1.00 0.00 C ATOM 1793 O TYR A 109 125.695 4.386 2.939 1.00 0.00 O ATOM 1794 CB TYR A 109 123.571 2.532 4.788 1.00 0.00 C ATOM 1795 CG TYR A 109 124.643 1.487 4.580 1.00 0.00 C ATOM 1796 CD1 TYR A 109 125.656 1.332 5.535 1.00 0.00 C ATOM 1797 CD2 TYR A 109 124.624 0.666 3.443 1.00 0.00 C ATOM 1798 CE1 TYR A 109 126.648 0.364 5.355 1.00 0.00 C ATOM 1799 CE2 TYR A 109 125.617 -0.301 3.263 1.00 0.00 C ATOM 1800 CZ TYR A 109 126.629 -0.452 4.219 1.00 0.00 C ATOM 1801 OH TYR A 109 127.606 -1.408 4.043 1.00 0.00 O ATOM 0 H TYR A 109 122.294 4.521 5.517 1.00 0.00 H new ATOM 0 HA TYR A 109 125.100 3.938 5.360 1.00 0.00 H new ATOM 0 HB2 TYR A 109 123.072 2.369 5.743 1.00 0.00 H new ATOM 0 HB3 TYR A 109 122.810 2.444 4.012 1.00 0.00 H new ATOM 0 HD1 TYR A 109 125.671 1.962 6.412 1.00 0.00 H new ATOM 0 HD2 TYR A 109 123.842 0.781 2.707 1.00 0.00 H new ATOM 0 HE1 TYR A 109 127.428 0.246 6.092 1.00 0.00 H new ATOM 0 HE2 TYR A 109 125.604 -0.932 2.386 1.00 0.00 H new ATOM 0 HH TYR A 109 127.325 -2.039 3.348 1.00 0.00 H new ATOM 1811 N GLU A 110 123.548 4.582 2.507 1.00 0.00 N ATOM 1812 CA GLU A 110 123.802 4.976 1.098 1.00 0.00 C ATOM 1813 C GLU A 110 124.730 6.186 1.071 1.00 0.00 C ATOM 1814 O GLU A 110 125.689 6.236 0.326 1.00 0.00 O ATOM 1815 CB GLU A 110 122.466 5.350 0.456 1.00 0.00 C ATOM 1816 CG GLU A 110 122.691 5.761 -0.997 1.00 0.00 C ATOM 1817 CD GLU A 110 121.347 5.810 -1.724 1.00 0.00 C ATOM 1818 OE1 GLU A 110 120.344 5.996 -1.059 1.00 0.00 O ATOM 1819 OE2 GLU A 110 121.346 5.661 -2.935 1.00 0.00 O ATOM 0 H GLU A 110 122.563 4.541 2.770 1.00 0.00 H new ATOM 0 HA GLU A 110 124.267 4.154 0.554 1.00 0.00 H new ATOM 0 HB2 GLU A 110 121.780 4.505 0.503 1.00 0.00 H new ATOM 0 HB3 GLU A 110 122.003 6.168 1.008 1.00 0.00 H new ATOM 0 HG2 GLU A 110 123.176 6.736 -1.040 1.00 0.00 H new ATOM 0 HG3 GLU A 110 123.357 5.052 -1.488 1.00 0.00 H new ATOM 1826 N CYS A 111 124.444 7.165 1.879 1.00 0.00 N ATOM 1827 CA CYS A 111 125.295 8.384 1.905 1.00 0.00 C ATOM 1828 C CYS A 111 126.730 8.022 2.306 1.00 0.00 C ATOM 1829 O CYS A 111 127.684 8.555 1.783 1.00 0.00 O ATOM 1830 CB CYS A 111 124.720 9.390 2.905 1.00 0.00 C ATOM 1831 SG CYS A 111 123.198 10.103 2.229 1.00 0.00 S ATOM 0 H CYS A 111 123.655 7.174 2.525 1.00 0.00 H new ATOM 0 HA CYS A 111 125.308 8.826 0.909 1.00 0.00 H new ATOM 0 HB2 CYS A 111 124.514 8.898 3.856 1.00 0.00 H new ATOM 0 HB3 CYS A 111 125.447 10.177 3.105 1.00 0.00 H new ATOM 0 HG CYS A 111 122.194 9.326 2.508 1.00 0.00 H new ATOM 1837 N GLU A 112 126.900 7.137 3.243 1.00 0.00 N ATOM 1838 CA GLU A 112 128.282 6.780 3.672 1.00 0.00 C ATOM 1839 C GLU A 112 129.037 6.091 2.530 1.00 0.00 C ATOM 1840 O GLU A 112 130.203 6.351 2.305 1.00 0.00 O ATOM 1841 CB GLU A 112 128.210 5.830 4.872 1.00 0.00 C ATOM 1842 CG GLU A 112 129.625 5.539 5.396 1.00 0.00 C ATOM 1843 CD GLU A 112 130.316 4.489 4.515 1.00 0.00 C ATOM 1844 OE1 GLU A 112 129.619 3.774 3.813 1.00 0.00 O ATOM 1845 OE2 GLU A 112 131.534 4.423 4.556 1.00 0.00 O ATOM 0 H GLU A 112 126.149 6.647 3.729 1.00 0.00 H new ATOM 0 HA GLU A 112 128.811 7.692 3.947 1.00 0.00 H new ATOM 0 HB2 GLU A 112 127.605 6.274 5.662 1.00 0.00 H new ATOM 0 HB3 GLU A 112 127.722 4.900 4.581 1.00 0.00 H new ATOM 0 HG2 GLU A 112 130.212 6.457 5.406 1.00 0.00 H new ATOM 0 HG3 GLU A 112 129.573 5.182 6.425 1.00 0.00 H new ATOM 1852 N LYS A 113 128.401 5.195 1.825 1.00 0.00 N ATOM 1853 CA LYS A 113 129.110 4.475 0.727 1.00 0.00 C ATOM 1854 C LYS A 113 129.411 5.400 -0.460 1.00 0.00 C ATOM 1855 O LYS A 113 130.469 5.312 -1.054 1.00 0.00 O ATOM 1856 CB LYS A 113 128.231 3.319 0.234 1.00 0.00 C ATOM 1857 CG LYS A 113 128.083 2.249 1.327 1.00 0.00 C ATOM 1858 CD LYS A 113 129.314 1.334 1.363 1.00 0.00 C ATOM 1859 CE LYS A 113 129.054 0.189 2.341 1.00 0.00 C ATOM 1860 NZ LYS A 113 130.227 -0.730 2.362 1.00 0.00 N ATOM 0 H LYS A 113 127.425 4.931 1.960 1.00 0.00 H new ATOM 0 HA LYS A 113 130.056 4.107 1.125 1.00 0.00 H new ATOM 0 HB2 LYS A 113 127.248 3.697 -0.048 1.00 0.00 H new ATOM 0 HB3 LYS A 113 128.671 2.876 -0.659 1.00 0.00 H new ATOM 0 HG2 LYS A 113 127.952 2.729 2.297 1.00 0.00 H new ATOM 0 HG3 LYS A 113 127.188 1.655 1.142 1.00 0.00 H new ATOM 0 HD2 LYS A 113 129.519 0.940 0.368 1.00 0.00 H new ATOM 0 HD3 LYS A 113 130.194 1.899 1.670 1.00 0.00 H new ATOM 0 HE2 LYS A 113 128.873 0.585 3.340 1.00 0.00 H new ATOM 0 HE3 LYS A 113 128.157 -0.357 2.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 130.318 -1.156 3.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 130.092 -1.481 1.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 131.091 -0.195 2.139 1.00 0.00 H new ATOM 1874 N LYS A 114 128.490 6.260 -0.841 1.00 0.00 N ATOM 1875 CA LYS A 114 128.735 7.156 -2.028 1.00 0.00 C ATOM 1876 C LYS A 114 128.442 8.627 -1.695 1.00 0.00 C ATOM 1877 O LYS A 114 128.751 9.508 -2.472 1.00 0.00 O ATOM 1878 CB LYS A 114 127.811 6.718 -3.169 1.00 0.00 C ATOM 1879 CG LYS A 114 128.085 5.256 -3.556 1.00 0.00 C ATOM 1880 CD LYS A 114 129.440 5.123 -4.266 1.00 0.00 C ATOM 1881 CE LYS A 114 129.498 3.775 -4.993 1.00 0.00 C ATOM 1882 NZ LYS A 114 130.853 3.582 -5.584 1.00 0.00 N ATOM 0 H LYS A 114 127.585 6.381 -0.386 1.00 0.00 H new ATOM 0 HA LYS A 114 129.784 7.071 -2.313 1.00 0.00 H new ATOM 0 HB2 LYS A 114 126.770 6.830 -2.865 1.00 0.00 H new ATOM 0 HB3 LYS A 114 127.962 7.363 -4.034 1.00 0.00 H new ATOM 0 HG2 LYS A 114 128.075 4.631 -2.663 1.00 0.00 H new ATOM 0 HG3 LYS A 114 127.291 4.893 -4.208 1.00 0.00 H new ATOM 0 HD2 LYS A 114 129.573 5.939 -4.976 1.00 0.00 H new ATOM 0 HD3 LYS A 114 130.252 5.195 -3.542 1.00 0.00 H new ATOM 0 HE2 LYS A 114 129.275 2.966 -4.298 1.00 0.00 H new ATOM 0 HE3 LYS A 114 128.741 3.740 -5.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 130.890 2.667 -6.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 131.049 4.347 -6.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 131.567 3.597 -4.828 1.00 0.00 H new ATOM 1896 N ASN A 115 127.842 8.916 -0.572 1.00 0.00 N ATOM 1897 CA ASN A 115 127.541 10.348 -0.254 1.00 0.00 C ATOM 1898 C ASN A 115 126.795 10.967 -1.438 1.00 0.00 C ATOM 1899 O ASN A 115 127.165 12.004 -1.949 1.00 0.00 O ATOM 1900 CB ASN A 115 128.846 11.108 -0.010 1.00 0.00 C ATOM 1901 CG ASN A 115 128.531 12.459 0.635 1.00 0.00 C ATOM 1902 OD1 ASN A 115 127.396 12.735 0.971 1.00 0.00 O ATOM 1903 ND2 ASN A 115 129.494 13.317 0.829 1.00 0.00 N ATOM 0 H ASN A 115 127.550 8.237 0.131 1.00 0.00 H new ATOM 0 HA ASN A 115 126.926 10.408 0.644 1.00 0.00 H new ATOM 0 HB2 ASN A 115 129.503 10.527 0.638 1.00 0.00 H new ATOM 0 HB3 ASN A 115 129.376 11.256 -0.951 1.00 0.00 H new ATOM 0 HD21 ASN A 115 129.294 14.219 1.262 1.00 0.00 H new ATOM 0 HD22 ASN A 115 130.447 13.086 0.547 1.00 0.00 H new ATOM 1910 N LEU A 116 125.755 10.314 -1.887 1.00 0.00 N ATOM 1911 CA LEU A 116 124.984 10.830 -3.056 1.00 0.00 C ATOM 1912 C LEU A 116 124.417 12.215 -2.749 1.00 0.00 C ATOM 1913 O LEU A 116 124.394 13.085 -3.597 1.00 0.00 O ATOM 1914 CB LEU A 116 123.800 9.900 -3.329 1.00 0.00 C ATOM 1915 CG LEU A 116 124.286 8.481 -3.639 1.00 0.00 C ATOM 1916 CD1 LEU A 116 123.067 7.572 -3.859 1.00 0.00 C ATOM 1917 CD2 LEU A 116 125.169 8.488 -4.902 1.00 0.00 C ATOM 0 H LEU A 116 125.405 9.441 -1.492 1.00 0.00 H new ATOM 0 HA LEU A 116 125.654 10.880 -3.915 1.00 0.00 H new ATOM 0 HB2 LEU A 116 123.138 9.882 -2.463 1.00 0.00 H new ATOM 0 HB3 LEU A 116 123.217 10.281 -4.168 1.00 0.00 H new ATOM 0 HG LEU A 116 124.877 8.108 -2.803 1.00 0.00 H new ATOM 0 HD11 LEU A 116 123.404 6.559 -4.080 1.00 0.00 H new ATOM 0 HD12 LEU A 116 122.454 7.562 -2.958 1.00 0.00 H new ATOM 0 HD13 LEU A 116 122.478 7.949 -4.695 1.00 0.00 H new ATOM 0 HD21 LEU A 116 125.509 7.474 -5.114 1.00 0.00 H new ATOM 0 HD22 LEU A 116 124.591 8.861 -5.748 1.00 0.00 H new ATOM 0 HD23 LEU A 116 126.032 9.134 -4.739 1.00 0.00 H new ATOM 1929 N SER A 117 123.931 12.422 -1.556 1.00 0.00 N ATOM 1930 CA SER A 117 123.335 13.746 -1.224 1.00 0.00 C ATOM 1931 C SER A 117 123.332 13.950 0.299 1.00 0.00 C ATOM 1932 O SER A 117 123.766 13.097 1.048 1.00 0.00 O ATOM 1933 CB SER A 117 121.895 13.776 -1.774 1.00 0.00 C ATOM 1934 OG SER A 117 121.464 12.443 -2.014 1.00 0.00 O ATOM 0 H SER A 117 123.921 11.736 -0.801 1.00 0.00 H new ATOM 0 HA SER A 117 123.919 14.549 -1.673 1.00 0.00 H new ATOM 0 HB2 SER A 117 121.230 14.264 -1.062 1.00 0.00 H new ATOM 0 HB3 SER A 117 121.856 14.356 -2.696 1.00 0.00 H new ATOM 0 HG SER A 117 121.302 12.319 -2.973 1.00 0.00 H new ATOM 1940 N THR A 118 122.833 15.079 0.755 1.00 0.00 N ATOM 1941 CA THR A 118 122.783 15.365 2.224 1.00 0.00 C ATOM 1942 C THR A 118 121.318 15.621 2.608 1.00 0.00 C ATOM 1943 O THR A 118 120.531 16.024 1.776 1.00 0.00 O ATOM 1944 CB THR A 118 123.626 16.622 2.511 1.00 0.00 C ATOM 1945 OG1 THR A 118 123.500 17.525 1.421 1.00 0.00 O ATOM 1946 CG2 THR A 118 125.100 16.240 2.689 1.00 0.00 C ATOM 0 H THR A 118 122.455 15.820 0.164 1.00 0.00 H new ATOM 0 HA THR A 118 123.178 14.528 2.800 1.00 0.00 H new ATOM 0 HB THR A 118 123.270 17.092 3.427 1.00 0.00 H new ATOM 0 HG1 THR A 118 124.033 18.328 1.598 1.00 0.00 H new ATOM 0 HG21 THR A 118 125.686 17.136 2.891 1.00 0.00 H new ATOM 0 HG22 THR A 118 125.198 15.546 3.524 1.00 0.00 H new ATOM 0 HG23 THR A 118 125.465 15.765 1.778 1.00 0.00 H new ATOM 1954 N PRO A 119 120.937 15.394 3.845 1.00 0.00 N ATOM 1955 CA PRO A 119 119.527 15.629 4.250 1.00 0.00 C ATOM 1956 C PRO A 119 119.044 17.029 3.838 1.00 0.00 C ATOM 1957 O PRO A 119 117.860 17.283 3.735 1.00 0.00 O ATOM 1958 CB PRO A 119 119.581 15.461 5.786 1.00 0.00 C ATOM 1959 CG PRO A 119 121.034 15.124 6.190 1.00 0.00 C ATOM 1960 CD PRO A 119 121.857 14.901 4.910 1.00 0.00 C ATOM 0 HA PRO A 119 118.821 14.950 3.772 1.00 0.00 H new ATOM 0 HB2 PRO A 119 119.253 16.376 6.279 1.00 0.00 H new ATOM 0 HB3 PRO A 119 118.905 14.667 6.105 1.00 0.00 H new ATOM 0 HG2 PRO A 119 121.461 15.936 6.779 1.00 0.00 H new ATOM 0 HG3 PRO A 119 121.056 14.231 6.815 1.00 0.00 H new ATOM 0 HD2 PRO A 119 122.793 15.459 4.927 1.00 0.00 H new ATOM 0 HD3 PRO A 119 122.114 13.851 4.770 1.00 0.00 H new ATOM 1968 N ALA A 120 119.955 17.935 3.602 1.00 0.00 N ATOM 1969 CA ALA A 120 119.555 19.312 3.194 1.00 0.00 C ATOM 1970 C ALA A 120 118.957 19.287 1.786 1.00 0.00 C ATOM 1971 O ALA A 120 117.828 19.683 1.568 1.00 0.00 O ATOM 1972 CB ALA A 120 120.778 20.226 3.205 1.00 0.00 C ATOM 0 H ALA A 120 120.961 17.780 3.674 1.00 0.00 H new ATOM 0 HA ALA A 120 118.810 19.687 3.896 1.00 0.00 H new ATOM 0 HB1 ALA A 120 120.483 21.232 2.906 1.00 0.00 H new ATOM 0 HB2 ALA A 120 121.202 20.255 4.209 1.00 0.00 H new ATOM 0 HB3 ALA A 120 121.524 19.844 2.508 1.00 0.00 H new ATOM 1978 N GLU A 121 119.713 18.831 0.827 1.00 0.00 N ATOM 1979 CA GLU A 121 119.200 18.787 -0.569 1.00 0.00 C ATOM 1980 C GLU A 121 118.074 17.760 -0.661 1.00 0.00 C ATOM 1981 O GLU A 121 117.237 17.818 -1.539 1.00 0.00 O ATOM 1982 CB GLU A 121 120.340 18.423 -1.525 1.00 0.00 C ATOM 1983 CG GLU A 121 121.069 17.183 -1.023 1.00 0.00 C ATOM 1984 CD GLU A 121 122.233 16.870 -1.964 1.00 0.00 C ATOM 1985 OE1 GLU A 121 121.987 16.722 -3.150 1.00 0.00 O ATOM 1986 OE2 GLU A 121 123.352 16.790 -1.483 1.00 0.00 O ATOM 0 H GLU A 121 120.665 18.487 0.950 1.00 0.00 H new ATOM 0 HA GLU A 121 118.810 19.765 -0.851 1.00 0.00 H new ATOM 0 HB2 GLU A 121 119.943 18.242 -2.524 1.00 0.00 H new ATOM 0 HB3 GLU A 121 121.038 19.257 -1.606 1.00 0.00 H new ATOM 0 HG2 GLU A 121 121.438 17.348 -0.011 1.00 0.00 H new ATOM 0 HG3 GLU A 121 120.384 16.337 -0.978 1.00 0.00 H new ATOM 1993 N LEU A 122 118.027 16.831 0.250 1.00 0.00 N ATOM 1994 CA LEU A 122 116.929 15.830 0.215 1.00 0.00 C ATOM 1995 C LEU A 122 115.601 16.578 0.343 1.00 0.00 C ATOM 1996 O LEU A 122 114.670 16.346 -0.401 1.00 0.00 O ATOM 1997 CB LEU A 122 117.093 14.841 1.372 1.00 0.00 C ATOM 1998 CG LEU A 122 115.866 13.923 1.470 1.00 0.00 C ATOM 1999 CD1 LEU A 122 115.552 13.304 0.102 1.00 0.00 C ATOM 2000 CD2 LEU A 122 116.168 12.804 2.468 1.00 0.00 C ATOM 0 H LEU A 122 118.696 16.722 1.012 1.00 0.00 H new ATOM 0 HA LEU A 122 116.953 15.270 -0.720 1.00 0.00 H new ATOM 0 HB2 LEU A 122 117.992 14.243 1.223 1.00 0.00 H new ATOM 0 HB3 LEU A 122 117.224 15.385 2.308 1.00 0.00 H new ATOM 0 HG LEU A 122 115.006 14.506 1.799 1.00 0.00 H new ATOM 0 HD11 LEU A 122 114.680 12.656 0.187 1.00 0.00 H new ATOM 0 HD12 LEU A 122 115.346 14.097 -0.617 1.00 0.00 H new ATOM 0 HD13 LEU A 122 116.407 12.719 -0.238 1.00 0.00 H new ATOM 0 HD21 LEU A 122 115.304 12.144 2.547 1.00 0.00 H new ATOM 0 HD22 LEU A 122 117.030 12.233 2.124 1.00 0.00 H new ATOM 0 HD23 LEU A 122 116.385 13.236 3.445 1.00 0.00 H new ATOM 2012 N GLN A 123 115.517 17.494 1.273 1.00 0.00 N ATOM 2013 CA GLN A 123 114.260 18.273 1.434 1.00 0.00 C ATOM 2014 C GLN A 123 113.991 19.016 0.128 1.00 0.00 C ATOM 2015 O GLN A 123 112.870 19.087 -0.339 1.00 0.00 O ATOM 2016 CB GLN A 123 114.416 19.274 2.582 1.00 0.00 C ATOM 2017 CG GLN A 123 113.104 20.038 2.776 1.00 0.00 C ATOM 2018 CD GLN A 123 113.183 20.882 4.050 1.00 0.00 C ATOM 2019 OE1 GLN A 123 114.217 21.443 4.357 1.00 0.00 O ATOM 2020 NE2 GLN A 123 112.129 20.999 4.809 1.00 0.00 N ATOM 0 H GLN A 123 116.264 17.734 1.925 1.00 0.00 H new ATOM 0 HA GLN A 123 113.428 17.607 1.665 1.00 0.00 H new ATOM 0 HB2 GLN A 123 114.684 18.751 3.500 1.00 0.00 H new ATOM 0 HB3 GLN A 123 115.226 19.970 2.364 1.00 0.00 H new ATOM 0 HG2 GLN A 123 112.914 20.679 1.915 1.00 0.00 H new ATOM 0 HG3 GLN A 123 112.271 19.338 2.843 1.00 0.00 H new ATOM 0 HE21 GLN A 123 111.261 20.529 4.552 1.00 0.00 H new ATOM 0 HE22 GLN A 123 112.173 21.561 5.659 1.00 0.00 H new ATOM 2029 N ALA A 124 115.016 19.543 -0.486 1.00 0.00 N ATOM 2030 CA ALA A 124 114.814 20.245 -1.780 1.00 0.00 C ATOM 2031 C ALA A 124 114.234 19.236 -2.768 1.00 0.00 C ATOM 2032 O ALA A 124 113.469 19.575 -3.649 1.00 0.00 O ATOM 2033 CB ALA A 124 116.149 20.782 -2.306 1.00 0.00 C ATOM 0 H ALA A 124 115.978 19.517 -0.148 1.00 0.00 H new ATOM 0 HA ALA A 124 114.137 21.090 -1.651 1.00 0.00 H new ATOM 0 HB1 ALA A 124 115.987 21.294 -3.254 1.00 0.00 H new ATOM 0 HB2 ALA A 124 116.570 21.481 -1.583 1.00 0.00 H new ATOM 0 HB3 ALA A 124 116.841 19.953 -2.455 1.00 0.00 H new ATOM 2039 N ALA A 125 114.585 17.987 -2.612 1.00 0.00 N ATOM 2040 CA ALA A 125 114.045 16.942 -3.520 1.00 0.00 C ATOM 2041 C ALA A 125 112.539 16.817 -3.272 1.00 0.00 C ATOM 2042 O ALA A 125 111.756 16.673 -4.191 1.00 0.00 O ATOM 2043 CB ALA A 125 114.741 15.602 -3.222 1.00 0.00 C ATOM 0 H ALA A 125 115.224 17.648 -1.893 1.00 0.00 H new ATOM 0 HA ALA A 125 114.226 17.210 -4.561 1.00 0.00 H new ATOM 0 HB1 ALA A 125 114.348 14.832 -3.886 1.00 0.00 H new ATOM 0 HB2 ALA A 125 115.814 15.706 -3.382 1.00 0.00 H new ATOM 0 HB3 ALA A 125 114.555 15.318 -2.186 1.00 0.00 H new ATOM 2049 N ILE A 126 112.130 16.885 -2.033 1.00 0.00 N ATOM 2050 CA ILE A 126 110.678 16.784 -1.721 1.00 0.00 C ATOM 2051 C ILE A 126 109.970 18.062 -2.177 1.00 0.00 C ATOM 2052 O ILE A 126 108.945 18.016 -2.827 1.00 0.00 O ATOM 2053 CB ILE A 126 110.497 16.606 -0.212 1.00 0.00 C ATOM 2054 CG1 ILE A 126 111.099 15.262 0.211 1.00 0.00 C ATOM 2055 CG2 ILE A 126 109.006 16.631 0.131 1.00 0.00 C ATOM 2056 CD1 ILE A 126 111.151 15.179 1.737 1.00 0.00 C ATOM 0 H ILE A 126 112.740 17.006 -1.225 1.00 0.00 H new ATOM 0 HA ILE A 126 110.249 15.928 -2.242 1.00 0.00 H new ATOM 0 HB ILE A 126 111.001 17.415 0.316 1.00 0.00 H new ATOM 0 HG12 ILE A 126 110.500 14.443 -0.187 1.00 0.00 H new ATOM 0 HG13 ILE A 126 112.102 15.155 -0.203 1.00 0.00 H new ATOM 0 HG21 ILE A 126 108.878 16.504 1.206 1.00 0.00 H new ATOM 0 HG22 ILE A 126 108.578 17.586 -0.175 1.00 0.00 H new ATOM 0 HG23 ILE A 126 108.498 15.821 -0.393 1.00 0.00 H new ATOM 0 HD11 ILE A 126 111.580 14.222 2.035 1.00 0.00 H new ATOM 0 HD12 ILE A 126 111.768 15.989 2.125 1.00 0.00 H new ATOM 0 HD13 ILE A 126 110.142 15.266 2.141 1.00 0.00 H new ATOM 2068 N ASP A 127 110.515 19.204 -1.848 1.00 0.00 N ATOM 2069 CA ASP A 127 109.876 20.483 -2.273 1.00 0.00 C ATOM 2070 C ASP A 127 110.035 20.641 -3.784 1.00 0.00 C ATOM 2071 O ASP A 127 109.133 21.069 -4.476 1.00 0.00 O ATOM 2072 CB ASP A 127 110.555 21.656 -1.561 1.00 0.00 C ATOM 2073 CG ASP A 127 109.749 22.935 -1.799 1.00 0.00 C ATOM 2074 OD1 ASP A 127 108.893 22.919 -2.669 1.00 0.00 O ATOM 2075 OD2 ASP A 127 110.003 23.908 -1.109 1.00 0.00 O ATOM 0 H ASP A 127 111.372 19.306 -1.305 1.00 0.00 H new ATOM 0 HA ASP A 127 108.817 20.470 -2.014 1.00 0.00 H new ATOM 0 HB2 ASP A 127 110.628 21.453 -0.492 1.00 0.00 H new ATOM 0 HB3 ASP A 127 111.572 21.781 -1.932 1.00 0.00 H new ATOM 2080 N GLY A 128 111.179 20.288 -4.301 1.00 0.00 N ATOM 2081 CA GLY A 128 111.403 20.401 -5.768 1.00 0.00 C ATOM 2082 C GLY A 128 110.382 19.532 -6.496 1.00 0.00 C ATOM 2083 O GLY A 128 110.036 19.779 -7.636 1.00 0.00 O ATOM 0 H GLY A 128 111.970 19.925 -3.769 1.00 0.00 H new ATOM 0 HA2 GLY A 128 111.307 21.440 -6.084 1.00 0.00 H new ATOM 0 HA3 GLY A 128 112.415 20.084 -6.020 1.00 0.00 H new ATOM 2087 N ASN A 129 109.899 18.512 -5.844 1.00 0.00 N ATOM 2088 CA ASN A 129 108.900 17.619 -6.492 1.00 0.00 C ATOM 2089 C ASN A 129 107.672 18.447 -6.867 1.00 0.00 C ATOM 2090 O ASN A 129 107.102 18.283 -7.927 1.00 0.00 O ATOM 2091 CB ASN A 129 108.501 16.516 -5.510 1.00 0.00 C ATOM 2092 CG ASN A 129 107.771 15.403 -6.260 1.00 0.00 C ATOM 2093 OD1 ASN A 129 106.656 15.059 -5.923 1.00 0.00 O ATOM 2094 ND2 ASN A 129 108.359 14.824 -7.271 1.00 0.00 N ATOM 0 H ASN A 129 110.153 18.258 -4.889 1.00 0.00 H new ATOM 0 HA ASN A 129 109.324 17.166 -7.388 1.00 0.00 H new ATOM 0 HB2 ASN A 129 109.387 16.116 -5.017 1.00 0.00 H new ATOM 0 HB3 ASN A 129 107.859 16.924 -4.730 1.00 0.00 H new ATOM 0 HD21 ASN A 129 107.882 14.080 -7.781 1.00 0.00 H new ATOM 0 HD22 ASN A 129 109.295 15.115 -7.551 1.00 0.00 H new ATOM 2101 N ARG A 130 107.275 19.353 -6.012 1.00 0.00 N ATOM 2102 CA ARG A 130 106.097 20.217 -6.320 1.00 0.00 C ATOM 2103 C ARG A 130 104.962 19.371 -6.906 1.00 0.00 C ATOM 2104 O ARG A 130 103.829 19.453 -6.476 1.00 0.00 O ATOM 2105 CB ARG A 130 106.522 21.288 -7.329 1.00 0.00 C ATOM 2106 CG ARG A 130 105.336 22.193 -7.662 1.00 0.00 C ATOM 2107 CD ARG A 130 105.808 23.327 -8.574 1.00 0.00 C ATOM 2108 NE ARG A 130 104.652 24.192 -8.935 1.00 0.00 N ATOM 2109 CZ ARG A 130 104.221 25.092 -8.095 1.00 0.00 C ATOM 2110 NH1 ARG A 130 105.068 25.881 -7.491 1.00 0.00 N ATOM 2111 NH2 ARG A 130 102.942 25.202 -7.858 1.00 0.00 N ATOM 0 H ARG A 130 107.717 19.532 -5.111 1.00 0.00 H new ATOM 0 HA ARG A 130 105.740 20.690 -5.405 1.00 0.00 H new ATOM 0 HB2 ARG A 130 107.339 21.882 -6.919 1.00 0.00 H new ATOM 0 HB3 ARG A 130 106.896 20.816 -8.237 1.00 0.00 H new ATOM 0 HG2 ARG A 130 104.551 21.618 -8.153 1.00 0.00 H new ATOM 0 HG3 ARG A 130 104.907 22.601 -6.747 1.00 0.00 H new ATOM 0 HD2 ARG A 130 106.574 23.917 -8.070 1.00 0.00 H new ATOM 0 HD3 ARG A 130 106.263 22.917 -9.475 1.00 0.00 H new ATOM 0 HE ARG A 130 104.196 24.081 -9.841 1.00 0.00 H new ATOM 0 HH11 ARG A 130 106.067 25.794 -7.676 1.00 0.00 H new ATOM 0 HH12 ARG A 130 104.730 26.585 -6.834 1.00 0.00 H new ATOM 0 HH21 ARG A 130 102.281 24.585 -8.329 1.00 0.00 H new ATOM 0 HH22 ARG A 130 102.604 25.905 -7.201 1.00 0.00 H new TER 2125 ARG A 130