USER MOD reduce.3.24.130724 H: found=0, std=0, add=1022, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1020 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 55 THR OG1 : rot 31:sc= -1.63! USER MOD Set 1.2: A 58 SER OG : rot -10:sc= -1.11! USER MOD Set 2.1: A 12 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 16 HIS : no HD1:sc= -0.941 K(o=-0.94,f=-4.7!) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -150:sc= 0.515 (180deg=-1.26!) USER MOD Single : A 8 GLN : amide:sc= -0.53 K(o=-0.53,f=-4!) USER MOD Single : A 10 GLN : amide:sc= -2.28 K(o=-2.3,f=-0.41) USER MOD Single : A 15 GLN : amide:sc= -1.17! K(o=-1.2!,f=0) USER MOD Single : A 17 ASN : amide:sc= -0.402 X(o=-0.4,f=-0.00044) USER MOD Single : A 23 TYR OH : rot 110:sc= -0.325 USER MOD Single : A 25 ASN : amide:sc= -2.02! C(o=-2!,f=-2!) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 38 CYS SG : rot -160:sc= -1.43 USER MOD Single : A 39 ASN : amide:sc= -6.71! C(o=-6.7!,f=-7!) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.248 USER MOD Single : A 43 CYS SG : rot -49:sc= 0.367 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.002) USER MOD Single : A 46 THR OG1 : rot 46:sc= 0.347 USER MOD Single : A 48 GLN : amide:sc= -0.152 K(o=-0.15,f=-2.4!) USER MOD Single : A 49 SER OG : rot 180:sc= -0.17 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -2.71 K(o=-2.7,f=-5!) USER MOD Single : A 65 LYS NZ :NH3+ -164:sc=-0.00709 (180deg=-0.277) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -5.9! C(o=-5.9!,f=-13!) USER MOD Single : A 88 GLN : amide:sc= -5.28! C(o=-5.3!,f=-6.4!) USER MOD Single : A 92 GLN : amide:sc= -0.196 K(o=-0.2,f=-0.96) USER MOD Single : A 93 LYS NZ :NH3+ -152:sc= 0.497 (180deg=0.0417) USER MOD Single : A 95 SER OG : rot -51:sc= 0.00872 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 23:sc= -3.3! USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=-0.006) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot -90:sc= -0.581 USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ -145:sc= -0.275 (180deg=-1.46!) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 THR OG1 : rot -73:sc= -1.99 USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 MET CE :methyl -148:sc= -0.223 (180deg=-1.35!) USER MOD Single : A 139 SER OG : rot 97:sc= -3! USER MOD Single : A 142 LYS NZ :NH3+ 160:sc= -0.0635 (180deg=-0.585) USER MOD Single : A 146 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 147 SER OG : rot -174:sc= -0.522 USER MOD ----------------------------------------------------------------- ATOM 49 N VAL A 4 -10.687 53.643 10.862 1.00 0.00 N ATOM 50 CA VAL A 4 -9.591 54.541 10.582 1.00 0.00 C ATOM 51 C VAL A 4 -8.736 54.010 9.438 1.00 0.00 C ATOM 52 O VAL A 4 -8.199 54.781 8.644 1.00 0.00 O ATOM 53 CB VAL A 4 -8.732 54.683 11.828 1.00 0.00 C ATOM 54 CG1 VAL A 4 -9.577 55.227 12.984 1.00 0.00 C ATOM 55 CG2 VAL A 4 -8.141 53.324 12.221 1.00 0.00 C ATOM 0 HA VAL A 4 -9.997 55.510 10.292 1.00 0.00 H new ATOM 0 HB VAL A 4 -7.919 55.377 11.615 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -8.955 55.326 13.874 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -9.980 56.203 12.712 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -10.398 54.540 13.190 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -7.528 53.439 13.115 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -8.949 52.621 12.423 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -7.526 52.945 11.405 1.00 0.00 H new ATOM 65 N TYR A 5 -8.601 52.691 9.365 1.00 0.00 N ATOM 66 CA TYR A 5 -7.792 52.070 8.325 1.00 0.00 C ATOM 67 C TYR A 5 -8.405 52.304 6.951 1.00 0.00 C ATOM 68 O TYR A 5 -7.693 52.481 5.962 1.00 0.00 O ATOM 69 CB TYR A 5 -7.673 50.567 8.586 1.00 0.00 C ATOM 70 CG TYR A 5 -7.012 50.336 9.926 1.00 0.00 C ATOM 71 CD1 TYR A 5 -7.764 50.432 11.101 1.00 0.00 C ATOM 72 CD2 TYR A 5 -5.652 50.026 9.994 1.00 0.00 C ATOM 73 CE1 TYR A 5 -7.155 50.220 12.342 1.00 0.00 C ATOM 74 CE2 TYR A 5 -5.040 49.811 11.234 1.00 0.00 C ATOM 75 CZ TYR A 5 -5.792 49.909 12.410 1.00 0.00 C ATOM 76 OH TYR A 5 -5.192 49.699 13.634 1.00 0.00 O ATOM 0 H TYR A 5 -9.039 52.034 10.011 1.00 0.00 H new ATOM 0 HA TYR A 5 -6.801 52.523 8.345 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -8.661 50.106 8.572 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -7.090 50.095 7.795 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -8.816 50.670 11.050 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -5.071 49.952 9.087 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -7.737 50.296 13.249 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -3.988 49.570 11.283 1.00 0.00 H new ATOM 0 HH TYR A 5 -4.243 49.492 13.502 1.00 0.00 H new ATOM 86 N LYS A 6 -9.732 52.297 6.893 1.00 0.00 N ATOM 87 CA LYS A 6 -10.431 52.501 5.633 1.00 0.00 C ATOM 88 C LYS A 6 -10.082 53.863 5.041 1.00 0.00 C ATOM 89 O LYS A 6 -9.868 53.992 3.836 1.00 0.00 O ATOM 90 CB LYS A 6 -11.944 52.417 5.856 1.00 0.00 C ATOM 91 CG LYS A 6 -12.327 50.983 6.226 1.00 0.00 C ATOM 92 CD LYS A 6 -13.841 50.895 6.425 1.00 0.00 C ATOM 93 CE LYS A 6 -14.223 49.463 6.804 1.00 0.00 C ATOM 94 NZ LYS A 6 -15.699 49.374 6.990 1.00 0.00 N1+ ATOM 0 H LYS A 6 -10.341 52.153 7.699 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.120 51.722 4.937 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -12.244 53.101 6.650 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -12.473 52.725 4.954 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -12.012 50.297 5.440 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -11.811 50.681 7.138 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -14.157 51.586 7.207 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -14.356 51.191 5.511 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -13.902 48.772 6.025 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -13.712 49.170 7.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -15.917 48.639 7.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -16.063 50.290 7.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -16.149 49.130 6.085 1.00 0.00 H new ATOM 108 N GLY A 7 -10.021 54.876 5.899 1.00 0.00 N ATOM 109 CA GLY A 7 -9.691 56.225 5.454 1.00 0.00 C ATOM 110 C GLY A 7 -8.271 56.286 4.906 1.00 0.00 C ATOM 111 O GLY A 7 -7.939 57.163 4.108 1.00 0.00 O ATOM 0 H GLY A 7 -10.195 54.790 6.900 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.396 56.541 4.685 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.794 56.922 6.286 1.00 0.00 H new ATOM 115 N GLN A 8 -7.432 55.348 5.339 1.00 0.00 N ATOM 116 CA GLN A 8 -6.045 55.307 4.885 1.00 0.00 C ATOM 117 C GLN A 8 -5.951 54.725 3.483 1.00 0.00 C ATOM 118 O GLN A 8 -5.344 55.317 2.592 1.00 0.00 O ATOM 119 CB GLN A 8 -5.203 54.469 5.849 1.00 0.00 C ATOM 120 CG GLN A 8 -5.090 55.193 7.191 1.00 0.00 C ATOM 121 CD GLN A 8 -3.625 55.477 7.508 1.00 0.00 C ATOM 122 OE1 GLN A 8 -2.741 55.142 6.720 1.00 0.00 O ATOM 123 NE2 GLN A 8 -3.314 56.080 8.623 1.00 0.00 N ATOM 0 H GLN A 8 -7.686 54.612 5.998 1.00 0.00 H new ATOM 0 HA GLN A 8 -5.663 56.328 4.863 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.660 53.489 5.990 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -4.211 54.301 5.430 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -5.651 56.127 7.158 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -5.530 54.584 7.981 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -4.048 56.357 9.275 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -2.337 56.274 8.842 1.00 0.00 H new ATOM 132 N LEU A 9 -6.560 53.564 3.296 1.00 0.00 N ATOM 133 CA LEU A 9 -6.545 52.910 1.995 1.00 0.00 C ATOM 134 C LEU A 9 -7.241 53.768 0.960 1.00 0.00 C ATOM 135 O LEU A 9 -6.772 53.899 -0.171 1.00 0.00 O ATOM 136 CB LEU A 9 -7.219 51.535 2.088 1.00 0.00 C ATOM 137 CG LEU A 9 -7.217 50.855 0.710 1.00 0.00 C ATOM 138 CD1 LEU A 9 -5.774 50.715 0.199 1.00 0.00 C ATOM 139 CD2 LEU A 9 -7.858 49.471 0.828 1.00 0.00 C ATOM 0 H LEU A 9 -7.067 53.058 4.022 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.508 52.774 1.687 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.694 50.911 2.811 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.242 51.646 2.447 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.786 51.462 0.006 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.779 50.232 -0.778 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.321 51.703 0.113 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.197 50.111 0.899 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -7.858 48.986 -0.148 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.289 48.866 1.534 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.884 49.574 1.182 1.00 0.00 H new ATOM 151 N GLN A 10 -8.367 54.337 1.346 1.00 0.00 N ATOM 152 CA GLN A 10 -9.125 55.163 0.436 1.00 0.00 C ATOM 153 C GLN A 10 -8.286 56.346 -0.035 1.00 0.00 C ATOM 154 O GLN A 10 -8.371 56.761 -1.192 1.00 0.00 O ATOM 155 CB GLN A 10 -10.404 55.672 1.120 1.00 0.00 C ATOM 156 CG GLN A 10 -11.257 56.466 0.123 1.00 0.00 C ATOM 157 CD GLN A 10 -11.779 55.541 -0.969 1.00 0.00 C ATOM 158 OE1 GLN A 10 -12.887 55.015 -0.863 1.00 0.00 O ATOM 159 NE2 GLN A 10 -11.033 55.295 -2.008 1.00 0.00 N ATOM 0 H GLN A 10 -8.772 54.242 2.277 1.00 0.00 H new ATOM 0 HA GLN A 10 -9.399 54.559 -0.429 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -10.976 54.830 1.510 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -10.144 56.302 1.971 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -12.092 56.938 0.641 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -10.664 57.266 -0.320 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -10.116 55.733 -2.092 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -11.366 54.665 -2.737 1.00 0.00 H new ATOM 168 N ALA A 11 -7.486 56.889 0.873 1.00 0.00 N ATOM 169 CA ALA A 11 -6.636 58.023 0.542 1.00 0.00 C ATOM 170 C ALA A 11 -5.583 57.616 -0.486 1.00 0.00 C ATOM 171 O ALA A 11 -5.268 58.376 -1.400 1.00 0.00 O ATOM 172 CB ALA A 11 -5.944 58.539 1.807 1.00 0.00 C ATOM 0 H ALA A 11 -7.408 56.565 1.837 1.00 0.00 H new ATOM 0 HA ALA A 11 -7.257 58.812 0.119 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.309 59.388 1.554 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -6.696 58.852 2.531 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.334 57.745 2.238 1.00 0.00 H new ATOM 178 N TYR A 12 -5.041 56.411 -0.327 1.00 0.00 N ATOM 179 CA TYR A 12 -4.024 55.914 -1.247 1.00 0.00 C ATOM 180 C TYR A 12 -4.589 55.806 -2.660 1.00 0.00 C ATOM 181 O TYR A 12 -3.975 56.266 -3.618 1.00 0.00 O ATOM 182 CB TYR A 12 -3.528 54.544 -0.788 1.00 0.00 C ATOM 183 CG TYR A 12 -2.443 54.062 -1.721 1.00 0.00 C ATOM 184 CD1 TYR A 12 -1.118 54.470 -1.521 1.00 0.00 C ATOM 185 CD2 TYR A 12 -2.758 53.210 -2.785 1.00 0.00 C ATOM 186 CE1 TYR A 12 -0.111 54.025 -2.384 1.00 0.00 C ATOM 187 CE2 TYR A 12 -1.750 52.763 -3.648 1.00 0.00 C ATOM 188 CZ TYR A 12 -0.427 53.172 -3.448 1.00 0.00 C ATOM 189 OH TYR A 12 0.567 52.732 -4.299 1.00 0.00 O ATOM 0 H TYR A 12 -5.287 55.766 0.424 1.00 0.00 H new ATOM 0 HA TYR A 12 -3.191 56.617 -1.253 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -3.145 54.607 0.231 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -4.354 53.832 -0.775 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.874 55.128 -0.700 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -3.780 52.897 -2.941 1.00 0.00 H new ATOM 0 HE1 TYR A 12 0.911 54.340 -2.229 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -1.994 52.103 -4.467 1.00 0.00 H new ATOM 0 HH TYR A 12 0.178 52.147 -4.982 1.00 0.00 H new ATOM 199 N ALA A 13 -5.763 55.196 -2.776 1.00 0.00 N ATOM 200 CA ALA A 13 -6.404 55.032 -4.076 1.00 0.00 C ATOM 201 C ALA A 13 -6.575 56.383 -4.762 1.00 0.00 C ATOM 202 O ALA A 13 -6.457 56.494 -5.983 1.00 0.00 O ATOM 203 CB ALA A 13 -7.773 54.371 -3.904 1.00 0.00 C ATOM 0 H ALA A 13 -6.288 54.809 -1.992 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.769 54.398 -4.695 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -8.245 54.252 -4.879 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.649 53.393 -3.439 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -8.402 54.996 -3.270 1.00 0.00 H new ATOM 209 N LEU A 14 -6.857 57.406 -3.968 1.00 0.00 N ATOM 210 CA LEU A 14 -7.050 58.743 -4.509 1.00 0.00 C ATOM 211 C LEU A 14 -5.778 59.223 -5.202 1.00 0.00 C ATOM 212 O LEU A 14 -5.833 59.820 -6.278 1.00 0.00 O ATOM 213 CB LEU A 14 -7.418 59.717 -3.387 1.00 0.00 C ATOM 214 CG LEU A 14 -7.748 61.097 -3.979 1.00 0.00 C ATOM 215 CD1 LEU A 14 -9.110 61.055 -4.691 1.00 0.00 C ATOM 216 CD2 LEU A 14 -7.785 62.135 -2.858 1.00 0.00 C ATOM 0 H LEU A 14 -6.957 57.337 -2.955 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.861 58.707 -5.236 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.274 59.337 -2.830 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.591 59.802 -2.682 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.980 61.368 -4.703 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -9.334 62.038 -5.107 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -9.078 60.320 -5.495 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.885 60.778 -3.977 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.019 63.114 -3.276 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -8.549 61.859 -2.131 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.813 62.174 -2.366 1.00 0.00 H new ATOM 228 N GLN A 15 -4.637 58.972 -4.572 1.00 0.00 N ATOM 229 CA GLN A 15 -3.361 59.393 -5.133 1.00 0.00 C ATOM 230 C GLN A 15 -2.897 58.417 -6.211 1.00 0.00 C ATOM 231 O GLN A 15 -2.269 58.813 -7.193 1.00 0.00 O ATOM 232 CB GLN A 15 -2.304 59.471 -4.029 1.00 0.00 C ATOM 233 CG GLN A 15 -1.004 60.049 -4.598 1.00 0.00 C ATOM 234 CD GLN A 15 0.058 60.118 -3.507 1.00 0.00 C ATOM 235 OE1 GLN A 15 1.170 60.581 -3.752 1.00 0.00 O ATOM 236 NE2 GLN A 15 -0.222 59.682 -2.308 1.00 0.00 N ATOM 0 H GLN A 15 -4.569 58.483 -3.679 1.00 0.00 H new ATOM 0 HA GLN A 15 -3.494 60.377 -5.582 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -2.664 60.096 -3.211 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -2.122 58.479 -3.616 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -0.651 59.429 -5.422 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -1.186 61.044 -5.003 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -1.146 59.298 -2.108 1.00 0.00 H new ATOM 0 HE22 GLN A 15 0.483 59.725 -1.572 1.00 0.00 H new ATOM 245 N HIS A 16 -3.204 57.138 -6.015 1.00 0.00 N ATOM 246 CA HIS A 16 -2.801 56.113 -6.970 1.00 0.00 C ATOM 247 C HIS A 16 -3.758 56.076 -8.155 1.00 0.00 C ATOM 248 O HIS A 16 -3.449 55.497 -9.195 1.00 0.00 O ATOM 249 CB HIS A 16 -2.783 54.745 -6.286 1.00 0.00 C ATOM 250 CG HIS A 16 -2.065 53.752 -7.158 1.00 0.00 C ATOM 251 ND1 HIS A 16 -2.741 52.888 -8.007 1.00 0.00 N ATOM 252 CD2 HIS A 16 -0.732 53.479 -7.331 1.00 0.00 C ATOM 253 CE1 HIS A 16 -1.820 52.142 -8.643 1.00 0.00 C ATOM 254 NE2 HIS A 16 -0.579 52.461 -8.267 1.00 0.00 N ATOM 0 H HIS A 16 -3.726 56.790 -5.211 1.00 0.00 H new ATOM 0 HA HIS A 16 -1.802 56.354 -7.333 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -2.288 54.818 -5.318 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -3.802 54.408 -6.098 1.00 0.00 H new ATOM 0 HD2 HIS A 16 0.077 53.979 -6.818 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -2.055 51.378 -9.369 1.00 0.00 H new ATOM 0 HE2 HIS A 16 0.294 52.047 -8.595 1.00 0.00 H new ATOM 262 N ASN A 17 -4.909 56.721 -8.001 1.00 0.00 N ATOM 263 CA ASN A 17 -5.885 56.771 -9.082 1.00 0.00 C ATOM 264 C ASN A 17 -6.134 55.387 -9.665 1.00 0.00 C ATOM 265 O ASN A 17 -5.762 55.108 -10.803 1.00 0.00 O ATOM 266 CB ASN A 17 -5.405 57.712 -10.182 1.00 0.00 C ATOM 267 CG ASN A 17 -5.363 59.145 -9.664 1.00 0.00 C ATOM 268 OD1 ASN A 17 -4.359 59.835 -9.827 1.00 0.00 O ATOM 269 ND2 ASN A 17 -6.403 59.637 -9.045 1.00 0.00 N ATOM 0 H ASN A 17 -5.186 57.210 -7.150 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.822 57.144 -8.668 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -4.414 57.411 -10.522 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -6.071 57.648 -11.043 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -6.383 60.595 -8.696 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.235 59.063 -8.911 1.00 0.00 H new ATOM 276 N LEU A 18 -6.763 54.523 -8.881 1.00 0.00 N ATOM 277 CA LEU A 18 -7.063 53.167 -9.333 1.00 0.00 C ATOM 278 C LEU A 18 -8.437 52.737 -8.832 1.00 0.00 C ATOM 279 O LEU A 18 -9.010 53.375 -7.947 1.00 0.00 O ATOM 280 CB LEU A 18 -5.970 52.192 -8.833 1.00 0.00 C ATOM 281 CG LEU A 18 -6.380 51.540 -7.496 1.00 0.00 C ATOM 282 CD1 LEU A 18 -5.502 50.339 -7.213 1.00 0.00 C ATOM 283 CD2 LEU A 18 -6.250 52.564 -6.375 1.00 0.00 C ATOM 0 H LEU A 18 -7.075 54.733 -7.933 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.075 53.148 -10.423 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.798 51.418 -9.581 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.029 52.728 -8.707 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.415 51.205 -7.558 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.799 49.886 -6.267 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.613 49.610 -8.016 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.461 50.656 -7.152 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.539 52.106 -5.429 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.217 52.906 -6.312 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.901 53.414 -6.581 1.00 0.00 H new ATOM 295 N GLU A 19 -8.928 51.621 -9.366 1.00 0.00 N ATOM 296 CA GLU A 19 -10.217 51.078 -8.944 1.00 0.00 C ATOM 297 C GLU A 19 -10.416 51.252 -7.439 1.00 0.00 C ATOM 298 O GLU A 19 -9.596 50.807 -6.632 1.00 0.00 O ATOM 299 CB GLU A 19 -10.303 49.591 -9.292 1.00 0.00 C ATOM 300 CG GLU A 19 -10.351 49.424 -10.811 1.00 0.00 C ATOM 301 CD GLU A 19 -10.383 47.944 -11.172 1.00 0.00 C ATOM 302 OE1 GLU A 19 -10.403 47.131 -10.263 1.00 0.00 O ATOM 303 OE2 GLU A 19 -10.389 47.644 -12.354 1.00 0.00 O1- ATOM 0 H GLU A 19 -8.456 51.077 -10.088 1.00 0.00 H new ATOM 0 HA GLU A 19 -10.999 51.625 -9.471 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.442 49.061 -8.884 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.192 49.152 -8.839 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -11.233 49.924 -11.212 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -9.481 49.899 -11.265 1.00 0.00 H new ATOM 310 N LEU A 20 -11.507 51.912 -7.076 1.00 0.00 N ATOM 311 CA LEU A 20 -11.806 52.156 -5.674 1.00 0.00 C ATOM 312 C LEU A 20 -11.686 50.865 -4.866 1.00 0.00 C ATOM 313 O LEU A 20 -11.961 49.779 -5.378 1.00 0.00 O ATOM 314 CB LEU A 20 -13.223 52.726 -5.528 1.00 0.00 C ATOM 315 CG LEU A 20 -13.458 53.785 -6.603 1.00 0.00 C ATOM 316 CD1 LEU A 20 -14.793 54.479 -6.344 1.00 0.00 C ATOM 317 CD2 LEU A 20 -12.328 54.820 -6.560 1.00 0.00 C ATOM 0 H LEU A 20 -12.195 52.286 -7.729 1.00 0.00 H new ATOM 0 HA LEU A 20 -11.086 52.879 -5.291 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -13.959 51.928 -5.622 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -13.351 53.163 -4.538 1.00 0.00 H new ATOM 0 HG LEU A 20 -13.476 53.310 -7.584 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -14.964 55.236 -7.110 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.597 53.744 -6.374 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -14.772 54.954 -5.363 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.497 55.575 -7.328 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.308 55.297 -5.580 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -11.374 54.325 -6.742 1.00 0.00 H new ATOM 329 N PRO A 21 -11.289 50.963 -3.622 1.00 0.00 N ATOM 330 CA PRO A 21 -11.135 49.777 -2.734 1.00 0.00 C ATOM 331 C PRO A 21 -12.472 49.132 -2.400 1.00 0.00 C ATOM 332 O PRO A 21 -13.501 49.803 -2.337 1.00 0.00 O ATOM 333 CB PRO A 21 -10.467 50.348 -1.470 1.00 0.00 C ATOM 334 CG PRO A 21 -10.829 51.799 -1.463 1.00 0.00 C ATOM 335 CD PRO A 21 -10.940 52.212 -2.923 1.00 0.00 C ATOM 0 HA PRO A 21 -10.552 48.987 -3.207 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -10.828 49.847 -0.572 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -9.386 50.211 -1.499 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -11.770 51.963 -0.939 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -10.070 52.388 -0.948 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -11.705 52.976 -3.065 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.002 52.627 -3.293 1.00 0.00 H new ATOM 343 N VAL A 22 -12.440 47.826 -2.175 1.00 0.00 N ATOM 344 CA VAL A 22 -13.657 47.088 -1.827 1.00 0.00 C ATOM 345 C VAL A 22 -13.387 46.112 -0.682 1.00 0.00 C ATOM 346 O VAL A 22 -12.388 45.402 -0.690 1.00 0.00 O ATOM 347 CB VAL A 22 -14.174 46.324 -3.052 1.00 0.00 C ATOM 348 CG1 VAL A 22 -15.337 45.416 -2.646 1.00 0.00 C ATOM 349 CG2 VAL A 22 -14.652 47.319 -4.113 1.00 0.00 C ATOM 0 H VAL A 22 -11.596 47.256 -2.225 1.00 0.00 H new ATOM 0 HA VAL A 22 -14.413 47.803 -1.503 1.00 0.00 H new ATOM 0 HB VAL A 22 -13.367 45.715 -3.459 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -15.700 44.876 -3.521 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -14.997 44.703 -1.895 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -16.144 46.021 -2.233 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -15.019 46.775 -4.983 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -15.455 47.931 -3.702 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -13.822 47.961 -4.410 1.00 0.00 H new ATOM 359 N TYR A 23 -14.290 46.087 0.294 1.00 0.00 N ATOM 360 CA TYR A 23 -14.161 45.201 1.440 1.00 0.00 C ATOM 361 C TYR A 23 -15.234 44.118 1.419 1.00 0.00 C ATOM 362 O TYR A 23 -16.317 44.313 0.873 1.00 0.00 O ATOM 363 CB TYR A 23 -14.284 46.007 2.718 1.00 0.00 C ATOM 364 CG TYR A 23 -13.041 46.844 2.909 1.00 0.00 C ATOM 365 CD1 TYR A 23 -12.793 47.931 2.074 1.00 0.00 C ATOM 366 CD2 TYR A 23 -12.141 46.524 3.922 1.00 0.00 C ATOM 367 CE1 TYR A 23 -11.645 48.701 2.251 1.00 0.00 C ATOM 368 CE2 TYR A 23 -10.983 47.289 4.114 1.00 0.00 C ATOM 369 CZ TYR A 23 -10.733 48.385 3.273 1.00 0.00 C ATOM 370 OH TYR A 23 -9.595 49.149 3.446 1.00 0.00 O ATOM 0 H TYR A 23 -15.123 46.675 0.311 1.00 0.00 H new ATOM 0 HA TYR A 23 -13.184 44.720 1.394 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -15.164 46.649 2.672 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -14.420 45.340 3.569 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -13.492 48.177 1.288 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -12.337 45.679 4.565 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.456 49.543 1.601 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -10.289 47.038 4.902 1.00 0.00 H new ATOM 0 HH TYR A 23 -9.671 49.667 4.275 1.00 0.00 H new ATOM 380 N ALA A 24 -14.920 42.977 2.026 1.00 0.00 N ATOM 381 CA ALA A 24 -15.868 41.861 2.099 1.00 0.00 C ATOM 382 C ALA A 24 -16.105 41.499 3.554 1.00 0.00 C ATOM 383 O ALA A 24 -15.163 41.254 4.293 1.00 0.00 O ATOM 384 CB ALA A 24 -15.316 40.650 1.346 1.00 0.00 C ATOM 0 H ALA A 24 -14.021 42.798 2.474 1.00 0.00 H new ATOM 0 HA ALA A 24 -16.810 42.159 1.638 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -16.029 39.828 1.407 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.155 40.914 0.301 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -14.370 40.344 1.793 1.00 0.00 H new ATOM 390 N ASN A 25 -17.369 41.493 3.961 1.00 0.00 N ATOM 391 CA ASN A 25 -17.727 41.186 5.347 1.00 0.00 C ATOM 392 C ASN A 25 -18.489 39.875 5.446 1.00 0.00 C ATOM 393 O ASN A 25 -19.430 39.628 4.693 1.00 0.00 O ATOM 394 CB ASN A 25 -18.589 42.316 5.917 1.00 0.00 C ATOM 395 CG ASN A 25 -19.704 42.670 4.936 1.00 0.00 C ATOM 396 OD1 ASN A 25 -20.220 41.797 4.239 1.00 0.00 O ATOM 397 ND2 ASN A 25 -20.105 43.909 4.838 1.00 0.00 N ATOM 0 H ASN A 25 -18.164 41.696 3.355 1.00 0.00 H new ATOM 0 HA ASN A 25 -16.805 41.090 5.920 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -19.017 42.011 6.872 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -17.972 43.193 6.110 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -20.847 44.155 4.183 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -19.676 44.631 5.417 1.00 0.00 H new ATOM 404 N GLU A 26 -18.085 39.034 6.399 1.00 0.00 N ATOM 405 CA GLU A 26 -18.766 37.752 6.611 1.00 0.00 C ATOM 406 C GLU A 26 -18.961 37.510 8.103 1.00 0.00 C ATOM 407 O GLU A 26 -18.032 37.689 8.892 1.00 0.00 O ATOM 408 CB GLU A 26 -17.955 36.613 6.005 1.00 0.00 C ATOM 409 CG GLU A 26 -17.746 36.886 4.514 1.00 0.00 C ATOM 410 CD GLU A 26 -16.887 35.787 3.903 1.00 0.00 C ATOM 411 OE1 GLU A 26 -16.554 34.857 4.617 1.00 0.00 O ATOM 412 OE2 GLU A 26 -16.570 35.894 2.729 1.00 0.00 O1- ATOM 0 H GLU A 26 -17.302 39.211 7.029 1.00 0.00 H new ATOM 0 HA GLU A 26 -19.739 37.788 6.121 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -16.993 36.526 6.510 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -18.475 35.665 6.145 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -18.709 36.933 4.005 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -17.265 37.855 4.376 1.00 0.00 H new ATOM 419 N ARG A 27 -20.174 37.111 8.490 1.00 0.00 N ATOM 420 CA ARG A 27 -20.479 36.861 9.898 1.00 0.00 C ATOM 421 C ARG A 27 -21.157 35.514 10.065 1.00 0.00 C ATOM 422 O ARG A 27 -22.214 35.264 9.478 1.00 0.00 O ATOM 423 CB ARG A 27 -21.402 37.963 10.426 1.00 0.00 C ATOM 424 CG ARG A 27 -21.599 37.785 11.935 1.00 0.00 C ATOM 425 CD ARG A 27 -22.629 38.795 12.440 1.00 0.00 C ATOM 426 NE ARG A 27 -23.948 38.478 11.900 1.00 0.00 N ATOM 427 CZ ARG A 27 -24.740 37.589 12.494 1.00 0.00 C ATOM 428 NH1 ARG A 27 -24.341 36.981 13.577 1.00 0.00 N ATOM 429 NH2 ARG A 27 -25.915 37.325 11.991 1.00 0.00 N1+ ATOM 0 H ARG A 27 -20.955 36.955 7.853 1.00 0.00 H new ATOM 0 HA ARG A 27 -19.546 36.858 10.462 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -20.972 38.943 10.218 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -22.364 37.922 9.915 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -21.933 36.770 12.151 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -20.651 37.926 12.455 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -22.660 38.781 13.529 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -22.338 39.803 12.143 1.00 0.00 H new ATOM 0 HE ARG A 27 -24.268 38.946 11.052 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -23.422 37.187 13.968 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -24.948 36.300 14.032 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -26.225 37.800 11.143 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -26.523 36.644 12.446 1.00 0.00 H new ATOM 443 N GLU A 28 -20.551 34.646 10.869 1.00 0.00 N ATOM 444 CA GLU A 28 -21.122 33.332 11.105 1.00 0.00 C ATOM 445 C GLU A 28 -20.528 32.721 12.369 1.00 0.00 C ATOM 446 O GLU A 28 -19.314 32.734 12.565 1.00 0.00 O ATOM 447 CB GLU A 28 -20.850 32.409 9.916 1.00 0.00 C ATOM 448 CG GLU A 28 -21.505 31.045 10.158 1.00 0.00 C ATOM 449 CD GLU A 28 -21.320 30.153 8.935 1.00 0.00 C ATOM 450 OE1 GLU A 28 -21.015 30.684 7.880 1.00 0.00 O ATOM 451 OE2 GLU A 28 -21.481 28.952 9.074 1.00 0.00 O1- ATOM 0 H GLU A 28 -19.676 34.828 11.361 1.00 0.00 H new ATOM 0 HA GLU A 28 -22.199 33.443 11.229 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -21.242 32.854 9.001 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -19.776 32.287 9.776 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -21.063 30.571 11.034 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -22.567 31.174 10.367 1.00 0.00 H new ATOM 458 N GLY A 29 -21.386 32.181 13.222 1.00 0.00 N ATOM 459 CA GLY A 29 -20.921 31.554 14.449 1.00 0.00 C ATOM 460 C GLY A 29 -21.932 31.738 15.580 1.00 0.00 C ATOM 461 O GLY A 29 -22.610 32.764 15.653 1.00 0.00 O ATOM 0 H GLY A 29 -22.397 32.164 13.089 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -20.754 30.491 14.277 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -19.963 31.985 14.740 1.00 0.00 H new ATOM 465 N PRO A 30 -22.032 30.782 16.472 1.00 0.00 N ATOM 466 CA PRO A 30 -22.959 30.860 17.632 1.00 0.00 C ATOM 467 C PRO A 30 -22.925 32.239 18.305 1.00 0.00 C ATOM 468 O PRO A 30 -21.969 32.999 18.137 1.00 0.00 O ATOM 469 CB PRO A 30 -22.433 29.774 18.586 1.00 0.00 C ATOM 470 CG PRO A 30 -21.740 28.776 17.715 1.00 0.00 C ATOM 471 CD PRO A 30 -21.281 29.518 16.460 1.00 0.00 C ATOM 0 HA PRO A 30 -23.998 30.713 17.339 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -21.747 30.196 19.321 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -23.249 29.311 19.141 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -20.889 28.336 18.235 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -22.413 27.959 17.455 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -20.206 29.697 16.478 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -21.493 28.941 15.560 1.00 0.00 H new ATOM 479 N PRO A 31 -23.941 32.560 19.062 1.00 0.00 N ATOM 480 CA PRO A 31 -24.034 33.865 19.781 1.00 0.00 C ATOM 481 C PRO A 31 -22.844 34.085 20.714 1.00 0.00 C ATOM 482 O PRO A 31 -22.254 35.165 20.736 1.00 0.00 O ATOM 483 CB PRO A 31 -25.357 33.761 20.569 1.00 0.00 C ATOM 484 CG PRO A 31 -25.687 32.302 20.598 1.00 0.00 C ATOM 485 CD PRO A 31 -25.116 31.717 19.319 1.00 0.00 C ATOM 0 HA PRO A 31 -24.017 34.715 19.099 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -25.246 34.159 21.578 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -26.149 34.334 20.086 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -25.253 31.821 21.475 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -26.765 32.147 20.651 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -24.841 30.669 19.443 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -25.833 31.764 18.499 1.00 0.00 H new ATOM 493 N HIS A 32 -22.506 33.058 21.489 1.00 0.00 N ATOM 494 CA HIS A 32 -21.391 33.151 22.426 1.00 0.00 C ATOM 495 C HIS A 32 -20.085 32.796 21.725 1.00 0.00 C ATOM 496 O HIS A 32 -19.015 32.833 22.327 1.00 0.00 O ATOM 497 CB HIS A 32 -21.611 32.198 23.601 1.00 0.00 C ATOM 498 CG HIS A 32 -22.777 32.673 24.423 1.00 0.00 C ATOM 499 ND1 HIS A 32 -24.084 32.309 24.133 1.00 0.00 N ATOM 500 CD2 HIS A 32 -22.850 33.480 25.531 1.00 0.00 C ATOM 501 CE1 HIS A 32 -24.878 32.893 25.047 1.00 0.00 C ATOM 502 NE2 HIS A 32 -24.179 33.617 25.923 1.00 0.00 N ATOM 0 H HIS A 32 -22.985 32.157 21.487 1.00 0.00 H new ATOM 0 HA HIS A 32 -21.334 34.174 22.797 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -21.799 31.189 23.234 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -20.713 32.151 24.218 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -22.005 33.939 26.024 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -25.953 32.789 25.070 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -24.540 34.155 26.711 1.00 0.00 H new ATOM 510 N ALA A 33 -20.187 32.469 20.440 1.00 0.00 N ATOM 511 CA ALA A 33 -19.004 32.130 19.648 1.00 0.00 C ATOM 512 C ALA A 33 -19.108 32.706 18.238 1.00 0.00 C ATOM 513 O ALA A 33 -19.096 31.968 17.254 1.00 0.00 O ATOM 514 CB ALA A 33 -18.847 30.609 19.582 1.00 0.00 C ATOM 0 H ALA A 33 -21.067 32.431 19.926 1.00 0.00 H new ATOM 0 HA ALA A 33 -18.128 32.565 20.129 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -17.965 30.360 18.992 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -18.733 30.211 20.590 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -19.731 30.172 19.117 1.00 0.00 H new ATOM 520 N PRO A 34 -19.195 34.005 18.124 1.00 0.00 N ATOM 521 CA PRO A 34 -19.286 34.689 16.808 1.00 0.00 C ATOM 522 C PRO A 34 -17.928 34.819 16.135 1.00 0.00 C ATOM 523 O PRO A 34 -16.911 35.005 16.804 1.00 0.00 O ATOM 524 CB PRO A 34 -19.866 36.064 17.162 1.00 0.00 C ATOM 525 CG PRO A 34 -19.404 36.334 18.564 1.00 0.00 C ATOM 526 CD PRO A 34 -19.217 34.965 19.242 1.00 0.00 C ATOM 0 HA PRO A 34 -19.896 34.136 16.094 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -19.509 36.831 16.475 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -20.954 36.061 17.099 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -18.470 36.895 18.562 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -20.136 36.936 19.103 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -18.291 34.929 19.816 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -20.030 34.750 19.935 1.00 0.00 H new ATOM 534 N ARG A 35 -17.918 34.740 14.805 1.00 0.00 N ATOM 535 CA ARG A 35 -16.674 34.873 14.051 1.00 0.00 C ATOM 536 C ARG A 35 -16.850 35.871 12.921 1.00 0.00 C ATOM 537 O ARG A 35 -17.790 35.761 12.134 1.00 0.00 O ATOM 538 CB ARG A 35 -16.260 33.518 13.484 1.00 0.00 C ATOM 539 CG ARG A 35 -15.976 32.550 14.634 1.00 0.00 C ATOM 540 CD ARG A 35 -15.617 31.176 14.070 1.00 0.00 C ATOM 541 NE ARG A 35 -16.795 30.551 13.480 1.00 0.00 N ATOM 542 CZ ARG A 35 -16.717 29.372 12.873 1.00 0.00 C ATOM 543 NH1 ARG A 35 -15.569 28.754 12.796 1.00 0.00 N ATOM 544 NH2 ARG A 35 -17.785 28.830 12.354 1.00 0.00 N1+ ATOM 0 H ARG A 35 -18.748 34.586 14.233 1.00 0.00 H new ATOM 0 HA ARG A 35 -15.894 35.233 14.723 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -17.051 33.121 12.847 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -15.373 33.628 12.860 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -15.158 32.928 15.247 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -16.850 32.472 15.281 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -14.834 31.277 13.318 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -15.218 30.542 14.862 1.00 0.00 H new ATOM 0 HE ARG A 35 -17.695 31.028 13.534 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -14.734 29.177 13.202 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -15.507 27.849 12.330 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -18.682 29.312 12.414 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -17.723 27.925 11.888 1.00 0.00 H new ATOM 558 N PHE A 36 -15.934 36.839 12.833 1.00 0.00 N ATOM 559 CA PHE A 36 -16.009 37.839 11.770 1.00 0.00 C ATOM 560 C PHE A 36 -14.834 37.716 10.821 1.00 0.00 C ATOM 561 O PHE A 36 -13.728 38.127 11.135 1.00 0.00 O ATOM 562 CB PHE A 36 -15.989 39.237 12.388 1.00 0.00 C ATOM 563 CG PHE A 36 -17.142 39.377 13.342 1.00 0.00 C ATOM 564 CD1 PHE A 36 -18.391 39.757 12.860 1.00 0.00 C ATOM 565 CD2 PHE A 36 -16.963 39.123 14.700 1.00 0.00 C ATOM 566 CE1 PHE A 36 -19.472 39.893 13.742 1.00 0.00 C ATOM 567 CE2 PHE A 36 -18.032 39.253 15.581 1.00 0.00 C ATOM 568 CZ PHE A 36 -19.294 39.642 15.109 1.00 0.00 C ATOM 0 H PHE A 36 -15.147 36.950 13.472 1.00 0.00 H new ATOM 0 HA PHE A 36 -16.932 37.675 11.214 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -15.047 39.402 12.912 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -16.056 39.993 11.606 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -18.528 39.947 11.806 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -15.993 38.825 15.069 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -20.441 40.191 13.368 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -17.889 39.053 16.633 1.00 0.00 H new ATOM 0 HZ PHE A 36 -20.122 39.747 15.794 1.00 0.00 H new ATOM 578 N ARG A 37 -15.083 37.139 9.655 1.00 0.00 N ATOM 579 CA ARG A 37 -14.024 36.970 8.653 1.00 0.00 C ATOM 580 C ARG A 37 -14.256 37.937 7.503 1.00 0.00 C ATOM 581 O ARG A 37 -15.159 37.752 6.691 1.00 0.00 O ATOM 582 CB ARG A 37 -14.020 35.531 8.111 1.00 0.00 C ATOM 583 CG ARG A 37 -13.636 34.565 9.233 1.00 0.00 C ATOM 584 CD ARG A 37 -13.740 33.124 8.728 1.00 0.00 C ATOM 585 NE ARG A 37 -12.749 32.881 7.683 1.00 0.00 N ATOM 586 CZ ARG A 37 -12.722 31.733 7.016 1.00 0.00 C ATOM 587 NH1 ARG A 37 -13.591 30.798 7.290 1.00 0.00 N ATOM 588 NH2 ARG A 37 -11.826 31.539 6.088 1.00 0.00 N1+ ATOM 0 H ARG A 37 -15.996 36.781 9.375 1.00 0.00 H new ATOM 0 HA ARG A 37 -13.062 37.174 9.123 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -15.004 35.276 7.718 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -13.315 35.444 7.285 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -12.620 34.770 9.571 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -14.293 34.709 10.091 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -13.585 32.430 9.554 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -14.741 32.939 8.339 1.00 0.00 H new ATOM 0 HE ARG A 37 -12.066 33.605 7.462 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -14.291 30.949 8.016 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -13.570 29.916 6.778 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -11.146 32.269 5.875 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -11.805 30.657 5.576 1.00 0.00 H new ATOM 602 N CYS A 38 -13.446 38.984 7.444 1.00 0.00 N ATOM 603 CA CYS A 38 -13.580 39.989 6.394 1.00 0.00 C ATOM 604 C CYS A 38 -12.301 40.083 5.585 1.00 0.00 C ATOM 605 O CYS A 38 -11.204 39.913 6.115 1.00 0.00 O ATOM 606 CB CYS A 38 -13.894 41.352 7.009 1.00 0.00 C ATOM 607 SG CYS A 38 -15.308 41.194 8.131 1.00 0.00 S ATOM 0 H CYS A 38 -12.691 39.161 8.107 1.00 0.00 H new ATOM 0 HA CYS A 38 -14.396 39.692 5.736 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -13.026 41.728 7.551 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -14.117 42.075 6.224 1.00 0.00 H new ATOM 0 HG CYS A 38 -15.841 42.364 8.325 1.00 0.00 H new ATOM 613 N ASN A 39 -12.450 40.352 4.295 1.00 0.00 N ATOM 614 CA ASN A 39 -11.291 40.472 3.399 1.00 0.00 C ATOM 615 C ASN A 39 -11.277 41.837 2.725 1.00 0.00 C ATOM 616 O ASN A 39 -12.302 42.511 2.657 1.00 0.00 O ATOM 617 CB ASN A 39 -11.328 39.373 2.335 1.00 0.00 C ATOM 618 CG ASN A 39 -10.233 39.611 1.300 1.00 0.00 C ATOM 619 OD1 ASN A 39 -9.047 39.470 1.603 1.00 0.00 O ATOM 620 ND2 ASN A 39 -10.561 39.980 0.092 1.00 0.00 N ATOM 0 H ASN A 39 -13.353 40.492 3.841 1.00 0.00 H new ATOM 0 HA ASN A 39 -10.385 40.363 3.995 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -11.192 38.398 2.803 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -12.303 39.360 1.848 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -9.835 40.152 -0.603 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -11.543 40.096 -0.157 1.00 0.00 H new ATOM 627 N VAL A 40 -10.107 42.237 2.230 1.00 0.00 N ATOM 628 CA VAL A 40 -9.971 43.531 1.555 1.00 0.00 C ATOM 629 C VAL A 40 -9.426 43.332 0.148 1.00 0.00 C ATOM 630 O VAL A 40 -8.366 42.747 -0.037 1.00 0.00 O ATOM 631 CB VAL A 40 -9.028 44.436 2.349 1.00 0.00 C ATOM 632 CG1 VAL A 40 -7.682 43.734 2.552 1.00 0.00 C ATOM 633 CG2 VAL A 40 -8.813 45.741 1.584 1.00 0.00 C ATOM 0 H VAL A 40 -9.246 41.692 2.281 1.00 0.00 H new ATOM 0 HA VAL A 40 -10.953 44.001 1.494 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.470 44.651 3.322 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -7.015 44.384 3.118 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.835 42.805 3.101 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.237 43.513 1.582 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -8.141 46.387 2.149 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -8.374 45.524 0.610 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.770 46.244 1.447 1.00 0.00 H new ATOM 643 N THR A 41 -10.159 43.834 -0.838 1.00 0.00 N ATOM 644 CA THR A 41 -9.739 43.709 -2.236 1.00 0.00 C ATOM 645 C THR A 41 -9.099 45.002 -2.718 1.00 0.00 C ATOM 646 O THR A 41 -9.699 46.073 -2.630 1.00 0.00 O ATOM 647 CB THR A 41 -10.944 43.377 -3.117 1.00 0.00 C ATOM 648 OG1 THR A 41 -11.487 42.128 -2.715 1.00 0.00 O ATOM 649 CG2 THR A 41 -10.501 43.296 -4.579 1.00 0.00 C ATOM 0 H THR A 41 -11.041 44.328 -0.702 1.00 0.00 H new ATOM 0 HA THR A 41 -9.007 42.905 -2.305 1.00 0.00 H new ATOM 0 HB THR A 41 -11.700 44.155 -3.012 1.00 0.00 H new ATOM 0 HG1 THR A 41 -12.261 41.912 -3.276 1.00 0.00 H new ATOM 0 HG21 THR A 41 -11.360 43.059 -5.207 1.00 0.00 H new ATOM 0 HG22 THR A 41 -10.080 44.254 -4.885 1.00 0.00 H new ATOM 0 HG23 THR A 41 -9.746 42.517 -4.688 1.00 0.00 H new ATOM 657 N PHE A 42 -7.873 44.899 -3.228 1.00 0.00 N ATOM 658 CA PHE A 42 -7.163 46.074 -3.720 1.00 0.00 C ATOM 659 C PHE A 42 -6.206 45.692 -4.847 1.00 0.00 C ATOM 660 O PHE A 42 -5.500 44.689 -4.760 1.00 0.00 O ATOM 661 CB PHE A 42 -6.373 46.723 -2.568 1.00 0.00 C ATOM 662 CG PHE A 42 -6.223 48.207 -2.818 1.00 0.00 C ATOM 663 CD1 PHE A 42 -7.362 49.011 -2.896 1.00 0.00 C ATOM 664 CD2 PHE A 42 -4.955 48.776 -2.983 1.00 0.00 C ATOM 665 CE1 PHE A 42 -7.245 50.379 -3.134 1.00 0.00 C ATOM 666 CE2 PHE A 42 -4.834 50.152 -3.219 1.00 0.00 C ATOM 667 CZ PHE A 42 -5.977 50.953 -3.294 1.00 0.00 C ATOM 0 H PHE A 42 -7.357 44.023 -3.310 1.00 0.00 H new ATOM 0 HA PHE A 42 -7.893 46.784 -4.109 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -6.888 46.555 -1.622 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -5.391 46.259 -2.482 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.340 48.570 -2.771 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.072 48.156 -2.929 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -8.130 50.995 -3.195 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -3.856 50.594 -3.343 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.883 52.014 -3.475 1.00 0.00 H new ATOM 677 N CYS A 43 -6.180 46.506 -5.894 1.00 0.00 N ATOM 678 CA CYS A 43 -5.297 46.245 -7.024 1.00 0.00 C ATOM 679 C CYS A 43 -5.373 44.781 -7.443 1.00 0.00 C ATOM 680 O CYS A 43 -4.367 44.179 -7.817 1.00 0.00 O ATOM 681 CB CYS A 43 -3.856 46.598 -6.649 1.00 0.00 C ATOM 682 SG CYS A 43 -2.781 46.350 -8.083 1.00 0.00 S ATOM 0 H CYS A 43 -6.754 47.344 -5.985 1.00 0.00 H new ATOM 0 HA CYS A 43 -5.618 46.864 -7.862 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.800 47.634 -6.314 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -3.522 45.975 -5.819 1.00 0.00 H new ATOM 0 HG CYS A 43 -3.008 45.178 -8.598 1.00 0.00 H new ATOM 688 N GLY A 44 -6.575 44.220 -7.394 1.00 0.00 N ATOM 689 CA GLY A 44 -6.774 42.831 -7.788 1.00 0.00 C ATOM 690 C GLY A 44 -6.097 41.880 -6.813 1.00 0.00 C ATOM 691 O GLY A 44 -5.666 40.793 -7.193 1.00 0.00 O ATOM 0 H GLY A 44 -7.421 44.701 -7.088 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.841 42.612 -7.832 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.375 42.674 -8.790 1.00 0.00 H new ATOM 695 N GLN A 45 -5.999 42.296 -5.555 1.00 0.00 N ATOM 696 CA GLN A 45 -5.367 41.469 -4.527 1.00 0.00 C ATOM 697 C GLN A 45 -6.241 41.421 -3.284 1.00 0.00 C ATOM 698 O GLN A 45 -6.764 42.445 -2.847 1.00 0.00 O ATOM 699 CB GLN A 45 -3.998 42.034 -4.171 1.00 0.00 C ATOM 700 CG GLN A 45 -3.080 41.952 -5.391 1.00 0.00 C ATOM 701 CD GLN A 45 -1.731 42.587 -5.071 1.00 0.00 C ATOM 702 OE1 GLN A 45 -1.657 43.789 -4.808 1.00 0.00 O ATOM 703 NE2 GLN A 45 -0.655 41.852 -5.077 1.00 0.00 N ATOM 0 H GLN A 45 -6.346 43.195 -5.221 1.00 0.00 H new ATOM 0 HA GLN A 45 -5.246 40.458 -4.917 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -4.094 43.069 -3.844 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -3.567 41.476 -3.340 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -2.941 40.911 -5.683 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.540 42.462 -6.238 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.718 40.858 -5.295 1.00 0.00 H new ATOM 0 HE22 GLN A 45 0.250 42.271 -4.864 1.00 0.00 H new ATOM 712 N THR A 46 -6.405 40.223 -2.724 1.00 0.00 N ATOM 713 CA THR A 46 -7.233 40.046 -1.532 1.00 0.00 C ATOM 714 C THR A 46 -6.393 39.611 -0.342 1.00 0.00 C ATOM 715 O THR A 46 -5.966 38.460 -0.257 1.00 0.00 O ATOM 716 CB THR A 46 -8.310 38.992 -1.805 1.00 0.00 C ATOM 717 OG1 THR A 46 -7.714 37.849 -2.396 1.00 0.00 O ATOM 718 CG2 THR A 46 -9.365 39.568 -2.753 1.00 0.00 C ATOM 0 H THR A 46 -5.978 39.365 -3.074 1.00 0.00 H new ATOM 0 HA THR A 46 -7.699 41.003 -1.296 1.00 0.00 H new ATOM 0 HB THR A 46 -8.786 38.709 -0.866 1.00 0.00 H new ATOM 0 HG1 THR A 46 -6.898 37.616 -1.907 1.00 0.00 H new ATOM 0 HG21 THR A 46 -10.130 38.816 -2.946 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.824 40.445 -2.297 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.892 39.854 -3.693 1.00 0.00 H new ATOM 726 N PHE A 47 -6.156 40.544 0.580 1.00 0.00 N ATOM 727 CA PHE A 47 -5.363 40.249 1.769 1.00 0.00 C ATOM 728 C PHE A 47 -6.279 39.843 2.922 1.00 0.00 C ATOM 729 O PHE A 47 -7.335 40.445 3.130 1.00 0.00 O ATOM 730 CB PHE A 47 -4.546 41.471 2.174 1.00 0.00 C ATOM 731 CG PHE A 47 -3.431 41.674 1.174 1.00 0.00 C ATOM 732 CD1 PHE A 47 -3.699 42.315 -0.035 1.00 0.00 C ATOM 733 CD2 PHE A 47 -2.135 41.235 1.465 1.00 0.00 C ATOM 734 CE1 PHE A 47 -2.668 42.519 -0.963 1.00 0.00 C ATOM 735 CE2 PHE A 47 -1.104 41.435 0.537 1.00 0.00 C ATOM 736 CZ PHE A 47 -1.371 42.079 -0.675 1.00 0.00 C ATOM 0 H PHE A 47 -6.500 41.503 0.526 1.00 0.00 H new ATOM 0 HA PHE A 47 -4.686 39.426 1.540 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -5.184 42.354 2.211 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.134 41.333 3.174 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -4.700 42.654 -0.256 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.929 40.742 2.404 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.875 43.015 -1.900 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -0.104 41.092 0.758 1.00 0.00 H new ATOM 0 HZ PHE A 47 -0.576 42.237 -1.389 1.00 0.00 H new ATOM 746 N GLN A 48 -5.873 38.815 3.658 1.00 0.00 N ATOM 747 CA GLN A 48 -6.665 38.330 4.785 1.00 0.00 C ATOM 748 C GLN A 48 -5.779 37.594 5.783 1.00 0.00 C ATOM 749 O GLN A 48 -4.712 37.092 5.429 1.00 0.00 O ATOM 750 CB GLN A 48 -7.768 37.394 4.285 1.00 0.00 C ATOM 751 CG GLN A 48 -8.657 36.981 5.458 1.00 0.00 C ATOM 752 CD GLN A 48 -9.885 36.238 4.947 1.00 0.00 C ATOM 753 OE1 GLN A 48 -10.228 36.345 3.770 1.00 0.00 O ATOM 754 NE2 GLN A 48 -10.571 35.487 5.765 1.00 0.00 N ATOM 0 H GLN A 48 -5.006 38.303 3.497 1.00 0.00 H new ATOM 0 HA GLN A 48 -7.118 39.187 5.284 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -8.364 37.893 3.521 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.328 36.512 3.820 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -8.096 36.345 6.143 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -8.964 37.863 6.020 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -10.284 35.400 6.740 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -11.394 34.987 5.429 1.00 0.00 H new ATOM 763 N SER A 49 -6.229 37.528 7.033 1.00 0.00 N ATOM 764 CA SER A 49 -5.471 36.842 8.078 1.00 0.00 C ATOM 765 C SER A 49 -5.901 35.384 8.179 1.00 0.00 C ATOM 766 O SER A 49 -6.930 34.988 7.634 1.00 0.00 O ATOM 767 CB SER A 49 -5.694 37.535 9.421 1.00 0.00 C ATOM 768 OG SER A 49 -4.895 36.902 10.410 1.00 0.00 O ATOM 0 H SER A 49 -7.109 37.938 7.347 1.00 0.00 H new ATOM 0 HA SER A 49 -4.413 36.880 7.820 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.434 38.591 9.347 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.747 37.485 9.700 1.00 0.00 H new ATOM 0 HG SER A 49 -5.033 37.344 11.274 1.00 0.00 H new ATOM 774 N SER A 50 -5.103 34.584 8.877 1.00 0.00 N ATOM 775 CA SER A 50 -5.406 33.164 9.047 1.00 0.00 C ATOM 776 C SER A 50 -6.209 32.934 10.321 1.00 0.00 C ATOM 777 O SER A 50 -6.595 31.807 10.624 1.00 0.00 O ATOM 778 CB SER A 50 -4.111 32.358 9.109 1.00 0.00 C ATOM 779 OG SER A 50 -3.447 32.443 7.856 1.00 0.00 O ATOM 0 H SER A 50 -4.244 34.891 9.334 1.00 0.00 H new ATOM 0 HA SER A 50 -5.999 32.836 8.193 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.468 32.741 9.901 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.328 31.317 9.349 1.00 0.00 H new ATOM 0 HG SER A 50 -2.614 31.928 7.892 1.00 0.00 H new ATOM 785 N GLU A 51 -6.453 34.011 11.064 1.00 0.00 N ATOM 786 CA GLU A 51 -7.213 33.924 12.314 1.00 0.00 C ATOM 787 C GLU A 51 -8.403 34.873 12.285 1.00 0.00 C ATOM 788 O GLU A 51 -8.291 36.022 11.861 1.00 0.00 O ATOM 789 CB GLU A 51 -6.310 34.271 13.497 1.00 0.00 C ATOM 790 CG GLU A 51 -5.243 33.185 13.660 1.00 0.00 C ATOM 791 CD GLU A 51 -4.302 33.550 14.804 1.00 0.00 C ATOM 792 OE1 GLU A 51 -4.485 34.609 15.380 1.00 0.00 O ATOM 793 OE2 GLU A 51 -3.417 32.760 15.091 1.00 0.00 O1- ATOM 0 H GLU A 51 -6.138 34.951 10.826 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.581 32.904 12.424 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -5.837 35.239 13.335 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.902 34.354 14.408 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.717 32.224 13.860 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.679 33.075 12.734 1.00 0.00 H new ATOM 800 N PHE A 52 -9.544 34.377 12.736 1.00 0.00 N ATOM 801 CA PHE A 52 -10.765 35.175 12.762 1.00 0.00 C ATOM 802 C PHE A 52 -10.771 36.084 13.977 1.00 0.00 C ATOM 803 O PHE A 52 -10.267 35.738 15.044 1.00 0.00 O ATOM 804 CB PHE A 52 -12.012 34.263 12.790 1.00 0.00 C ATOM 805 CG PHE A 52 -11.582 32.850 13.086 1.00 0.00 C ATOM 806 CD1 PHE A 52 -10.864 32.146 12.127 1.00 0.00 C ATOM 807 CD2 PHE A 52 -11.897 32.261 14.305 1.00 0.00 C ATOM 808 CE1 PHE A 52 -10.453 30.823 12.385 1.00 0.00 C ATOM 809 CE2 PHE A 52 -11.497 30.943 14.573 1.00 0.00 C ATOM 810 CZ PHE A 52 -10.775 30.222 13.612 1.00 0.00 C ATOM 0 H PHE A 52 -9.653 33.426 13.089 1.00 0.00 H new ATOM 0 HA PHE A 52 -10.794 35.783 11.858 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -12.714 34.609 13.548 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -12.531 34.306 11.832 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -10.621 32.613 11.184 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -12.450 32.818 15.047 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.893 30.274 11.642 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -11.745 30.485 15.519 1.00 0.00 H new ATOM 0 HZ PHE A 52 -10.467 29.207 13.815 1.00 0.00 H new ATOM 820 N PHE A 53 -11.342 37.254 13.795 1.00 0.00 N ATOM 821 CA PHE A 53 -11.420 38.243 14.880 1.00 0.00 C ATOM 822 C PHE A 53 -12.789 38.184 15.577 1.00 0.00 C ATOM 823 O PHE A 53 -13.808 37.916 14.938 1.00 0.00 O ATOM 824 CB PHE A 53 -11.170 39.664 14.351 1.00 0.00 C ATOM 825 CG PHE A 53 -10.300 39.581 13.126 1.00 0.00 C ATOM 826 CD1 PHE A 53 -10.879 39.367 11.874 1.00 0.00 C ATOM 827 CD2 PHE A 53 -8.921 39.715 13.240 1.00 0.00 C ATOM 828 CE1 PHE A 53 -10.080 39.289 10.731 1.00 0.00 C ATOM 829 CE2 PHE A 53 -8.125 39.634 12.101 1.00 0.00 C ATOM 830 CZ PHE A 53 -8.699 39.423 10.845 1.00 0.00 C ATOM 0 H PHE A 53 -11.761 37.555 12.915 1.00 0.00 H new ATOM 0 HA PHE A 53 -10.643 37.997 15.604 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -12.116 40.148 14.109 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -10.687 40.272 15.116 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -11.950 39.261 11.789 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -8.470 39.881 14.207 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -10.531 39.126 9.764 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -7.053 39.735 12.189 1.00 0.00 H new ATOM 0 HZ PHE A 53 -8.074 39.364 9.966 1.00 0.00 H new ATOM 840 N PRO A 54 -12.831 38.436 16.863 1.00 0.00 N ATOM 841 CA PRO A 54 -14.097 38.403 17.652 1.00 0.00 C ATOM 842 C PRO A 54 -14.977 39.620 17.389 1.00 0.00 C ATOM 843 O PRO A 54 -16.082 39.718 17.915 1.00 0.00 O ATOM 844 CB PRO A 54 -13.613 38.372 19.107 1.00 0.00 C ATOM 845 CG PRO A 54 -12.284 39.056 19.090 1.00 0.00 C ATOM 846 CD PRO A 54 -11.677 38.784 17.714 1.00 0.00 C ATOM 0 HA PRO A 54 -14.723 37.550 17.388 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -14.313 38.886 19.766 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -13.525 37.349 19.471 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -12.396 40.127 19.260 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -11.640 38.673 19.881 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.152 39.659 17.332 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.953 37.970 17.753 1.00 0.00 H new ATOM 854 N THR A 55 -14.473 40.555 16.588 1.00 0.00 N ATOM 855 CA THR A 55 -15.218 41.775 16.273 1.00 0.00 C ATOM 856 C THR A 55 -15.236 42.028 14.773 1.00 0.00 C ATOM 857 O THR A 55 -14.398 41.513 14.030 1.00 0.00 O ATOM 858 CB THR A 55 -14.575 42.967 17.001 1.00 0.00 C ATOM 859 OG1 THR A 55 -13.172 42.772 17.059 1.00 0.00 O ATOM 860 CG2 THR A 55 -15.132 43.083 18.419 1.00 0.00 C ATOM 0 H THR A 55 -13.556 40.494 16.146 1.00 0.00 H new ATOM 0 HA THR A 55 -16.248 41.653 16.608 1.00 0.00 H new ATOM 0 HB THR A 55 -14.802 43.884 16.458 1.00 0.00 H new ATOM 0 HG1 THR A 55 -12.878 42.271 16.269 1.00 0.00 H new ATOM 0 HG21 THR A 55 -14.669 43.931 18.924 1.00 0.00 H new ATOM 0 HG22 THR A 55 -16.211 43.232 18.375 1.00 0.00 H new ATOM 0 HG23 THR A 55 -14.914 42.169 18.971 1.00 0.00 H new ATOM 868 N LEU A 56 -16.223 42.802 14.334 1.00 0.00 N ATOM 869 CA LEU A 56 -16.361 43.097 12.914 1.00 0.00 C ATOM 870 C LEU A 56 -15.278 44.070 12.446 1.00 0.00 C ATOM 871 O LEU A 56 -14.440 43.720 11.614 1.00 0.00 O ATOM 872 CB LEU A 56 -17.744 43.696 12.637 1.00 0.00 C ATOM 873 CG LEU A 56 -18.229 43.254 11.254 1.00 0.00 C ATOM 874 CD1 LEU A 56 -19.606 43.832 10.993 1.00 0.00 C ATOM 875 CD2 LEU A 56 -17.251 43.750 10.185 1.00 0.00 C ATOM 0 H LEU A 56 -16.930 43.231 14.932 1.00 0.00 H new ATOM 0 HA LEU A 56 -16.248 42.164 12.362 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -18.451 43.373 13.401 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -17.696 44.784 12.686 1.00 0.00 H new ATOM 0 HG LEU A 56 -18.281 42.166 11.218 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -19.952 43.518 10.008 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -20.301 43.474 11.753 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -19.557 44.920 11.030 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -17.597 43.435 9.201 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -17.196 44.838 10.219 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -16.263 43.331 10.373 1.00 0.00 H new ATOM 887 N LYS A 57 -15.312 45.297 12.966 1.00 0.00 N ATOM 888 CA LYS A 57 -14.361 46.311 12.558 1.00 0.00 C ATOM 889 C LYS A 57 -12.944 45.787 12.683 1.00 0.00 C ATOM 890 O LYS A 57 -12.088 46.107 11.864 1.00 0.00 O ATOM 891 CB LYS A 57 -14.530 47.548 13.450 1.00 0.00 C ATOM 892 CG LYS A 57 -15.920 48.160 13.240 1.00 0.00 C ATOM 893 CD LYS A 57 -16.098 49.358 14.176 1.00 0.00 C ATOM 894 CE LYS A 57 -17.515 49.918 14.025 1.00 0.00 C ATOM 895 NZ LYS A 57 -17.720 51.021 15.008 1.00 0.00 N1+ ATOM 0 H LYS A 57 -15.987 45.604 13.666 1.00 0.00 H new ATOM 0 HA LYS A 57 -14.546 46.575 11.517 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.399 47.273 14.496 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.761 48.284 13.215 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -16.037 48.475 12.203 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -16.691 47.414 13.436 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -15.923 49.055 15.208 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -15.364 50.129 13.941 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -17.665 50.288 13.011 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -18.249 49.129 14.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -18.682 51.402 14.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -17.593 50.654 15.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -17.028 51.777 14.831 1.00 0.00 H new ATOM 909 N SER A 58 -12.703 44.973 13.698 1.00 0.00 N ATOM 910 CA SER A 58 -11.376 44.402 13.900 1.00 0.00 C ATOM 911 C SER A 58 -10.915 43.678 12.640 1.00 0.00 C ATOM 912 O SER A 58 -9.723 43.647 12.337 1.00 0.00 O ATOM 913 CB SER A 58 -11.403 43.433 15.077 1.00 0.00 C ATOM 914 OG SER A 58 -12.408 42.452 14.857 1.00 0.00 O ATOM 0 H SER A 58 -13.399 44.693 14.390 1.00 0.00 H new ATOM 0 HA SER A 58 -10.675 45.208 14.116 1.00 0.00 H new ATOM 0 HB2 SER A 58 -10.430 42.954 15.191 1.00 0.00 H new ATOM 0 HB3 SER A 58 -11.603 43.973 16.003 1.00 0.00 H new ATOM 0 HG SER A 58 -12.960 42.715 14.091 1.00 0.00 H new ATOM 920 N ALA A 59 -11.864 43.096 11.913 1.00 0.00 N ATOM 921 CA ALA A 59 -11.535 42.384 10.686 1.00 0.00 C ATOM 922 C ALA A 59 -11.183 43.364 9.571 1.00 0.00 C ATOM 923 O ALA A 59 -10.103 43.292 8.990 1.00 0.00 O ATOM 924 CB ALA A 59 -12.722 41.521 10.256 1.00 0.00 C ATOM 0 H ALA A 59 -12.856 43.103 12.150 1.00 0.00 H new ATOM 0 HA ALA A 59 -10.670 41.748 10.876 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -12.472 40.990 9.338 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -12.951 40.800 11.041 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -13.590 42.157 10.082 1.00 0.00 H new ATOM 930 N GLU A 60 -12.099 44.283 9.288 1.00 0.00 N ATOM 931 CA GLU A 60 -11.871 45.282 8.245 1.00 0.00 C ATOM 932 C GLU A 60 -10.604 46.075 8.546 1.00 0.00 C ATOM 933 O GLU A 60 -9.831 46.387 7.643 1.00 0.00 O ATOM 934 CB GLU A 60 -13.070 46.231 8.179 1.00 0.00 C ATOM 935 CG GLU A 60 -14.297 45.471 7.671 1.00 0.00 C ATOM 936 CD GLU A 60 -15.545 46.330 7.834 1.00 0.00 C ATOM 937 OE1 GLU A 60 -15.425 47.421 8.364 1.00 0.00 O ATOM 938 OE2 GLU A 60 -16.608 45.882 7.430 1.00 0.00 O1- ATOM 0 H GLU A 60 -13.000 44.359 9.760 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.751 44.777 7.286 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -13.271 46.649 9.165 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -12.848 47.068 7.517 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -14.162 45.206 6.622 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -14.412 44.539 8.224 1.00 0.00 H new ATOM 945 N HIS A 61 -10.394 46.386 9.819 1.00 0.00 N ATOM 946 CA HIS A 61 -9.210 47.134 10.227 1.00 0.00 C ATOM 947 C HIS A 61 -7.953 46.297 10.008 1.00 0.00 C ATOM 948 O HIS A 61 -6.952 46.790 9.491 1.00 0.00 O ATOM 949 CB HIS A 61 -9.319 47.517 11.703 1.00 0.00 C ATOM 950 CG HIS A 61 -10.464 48.472 11.888 1.00 0.00 C ATOM 951 ND1 HIS A 61 -11.479 48.595 10.953 1.00 0.00 N ATOM 952 CD2 HIS A 61 -10.775 49.349 12.898 1.00 0.00 C ATOM 953 CE1 HIS A 61 -12.344 49.516 11.415 1.00 0.00 C ATOM 954 NE2 HIS A 61 -11.964 50.007 12.596 1.00 0.00 N ATOM 0 H HIS A 61 -11.022 46.135 10.582 1.00 0.00 H new ATOM 0 HA HIS A 61 -9.144 48.038 9.622 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -9.473 46.625 12.311 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -8.390 47.976 12.040 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -10.187 49.504 13.790 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -13.239 49.821 10.893 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -12.442 50.712 13.157 1.00 0.00 H new ATOM 962 N ALA A 62 -8.018 45.029 10.401 1.00 0.00 N ATOM 963 CA ALA A 62 -6.881 44.130 10.239 1.00 0.00 C ATOM 964 C ALA A 62 -6.602 43.880 8.760 1.00 0.00 C ATOM 965 O ALA A 62 -5.450 43.774 8.347 1.00 0.00 O ATOM 966 CB ALA A 62 -7.160 42.800 10.940 1.00 0.00 C ATOM 0 H ALA A 62 -8.839 44.603 10.831 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.006 44.599 10.688 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.305 42.136 10.813 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.328 42.977 12.002 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -8.046 42.338 10.505 1.00 0.00 H new ATOM 972 N ALA A 63 -7.667 43.780 7.968 1.00 0.00 N ATOM 973 CA ALA A 63 -7.519 43.533 6.538 1.00 0.00 C ATOM 974 C ALA A 63 -6.699 44.640 5.886 1.00 0.00 C ATOM 975 O ALA A 63 -5.695 44.365 5.231 1.00 0.00 O ATOM 976 CB ALA A 63 -8.904 43.467 5.882 1.00 0.00 C ATOM 0 H ALA A 63 -8.632 43.865 8.289 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.000 42.585 6.399 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.792 43.282 4.814 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.481 42.659 6.331 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -9.424 44.413 6.034 1.00 0.00 H new ATOM 982 N ALA A 64 -7.121 45.891 6.077 1.00 0.00 N ATOM 983 CA ALA A 64 -6.401 47.021 5.506 1.00 0.00 C ATOM 984 C ALA A 64 -5.022 47.142 6.152 1.00 0.00 C ATOM 985 O ALA A 64 -4.042 47.468 5.486 1.00 0.00 O ATOM 986 CB ALA A 64 -7.204 48.311 5.729 1.00 0.00 C ATOM 0 H ALA A 64 -7.949 46.142 6.617 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.273 46.861 4.435 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.663 49.155 5.301 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.177 48.222 5.247 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.342 48.473 6.798 1.00 0.00 H new ATOM 992 N LYS A 65 -4.960 46.876 7.458 1.00 0.00 N ATOM 993 CA LYS A 65 -3.701 46.959 8.185 1.00 0.00 C ATOM 994 C LYS A 65 -2.647 46.106 7.487 1.00 0.00 C ATOM 995 O LYS A 65 -1.471 46.470 7.443 1.00 0.00 O ATOM 996 CB LYS A 65 -3.888 46.470 9.620 1.00 0.00 C ATOM 997 CG LYS A 65 -2.596 46.684 10.406 1.00 0.00 C ATOM 998 CD LYS A 65 -2.816 46.282 11.866 1.00 0.00 C ATOM 999 CE LYS A 65 -1.532 46.528 12.662 1.00 0.00 C ATOM 1000 NZ LYS A 65 -0.481 45.570 12.215 1.00 0.00 N1+ ATOM 0 H LYS A 65 -5.762 46.604 8.026 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.373 47.998 8.204 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.708 47.009 10.095 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.157 45.414 9.623 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.791 46.091 9.972 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -2.290 47.729 10.347 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -3.637 46.858 12.293 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -3.098 45.231 11.926 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.191 47.553 12.516 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.723 46.404 13.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.286 45.544 12.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.895 44.621 12.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.100 45.876 11.297 1.00 0.00 H new ATOM 1014 N ILE A 66 -3.069 44.968 6.938 1.00 0.00 N ATOM 1015 CA ILE A 66 -2.143 44.091 6.236 1.00 0.00 C ATOM 1016 C ILE A 66 -1.774 44.687 4.876 1.00 0.00 C ATOM 1017 O ILE A 66 -0.666 44.487 4.372 1.00 0.00 O ATOM 1018 CB ILE A 66 -2.782 42.710 6.046 1.00 0.00 C ATOM 1019 CG1 ILE A 66 -2.942 42.042 7.412 1.00 0.00 C ATOM 1020 CG2 ILE A 66 -1.893 41.848 5.161 1.00 0.00 C ATOM 1021 CD1 ILE A 66 -3.867 40.830 7.282 1.00 0.00 C ATOM 0 H ILE A 66 -4.034 44.638 6.966 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.235 43.989 6.830 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.757 42.822 5.572 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.969 41.731 7.793 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.353 42.752 8.130 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.352 40.868 5.029 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.774 42.327 4.189 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.916 41.731 5.630 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.981 40.353 8.256 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.843 41.154 6.920 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.437 40.118 6.578 1.00 0.00 H new ATOM 1033 N ALA A 67 -2.723 45.395 4.274 1.00 0.00 N ATOM 1034 CA ALA A 67 -2.500 45.989 2.960 1.00 0.00 C ATOM 1035 C ALA A 67 -1.540 47.167 3.042 1.00 0.00 C ATOM 1036 O ALA A 67 -0.575 47.247 2.288 1.00 0.00 O ATOM 1037 CB ALA A 67 -3.827 46.458 2.363 1.00 0.00 C ATOM 0 H ALA A 67 -3.646 45.571 4.670 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.058 45.225 2.321 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.649 46.900 1.383 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -4.501 45.607 2.261 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.279 47.202 3.019 1.00 0.00 H new ATOM 1043 N VAL A 68 -1.812 48.077 3.967 1.00 0.00 N ATOM 1044 CA VAL A 68 -0.970 49.257 4.135 1.00 0.00 C ATOM 1045 C VAL A 68 0.473 48.856 4.443 1.00 0.00 C ATOM 1046 O VAL A 68 1.431 49.466 3.939 1.00 0.00 O ATOM 1047 CB VAL A 68 -1.517 50.130 5.268 1.00 0.00 C ATOM 1048 CG1 VAL A 68 -1.577 49.311 6.555 1.00 0.00 C ATOM 1049 CG2 VAL A 68 -0.598 51.333 5.476 1.00 0.00 C ATOM 0 H VAL A 68 -2.603 48.024 4.609 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.981 49.822 3.203 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.517 50.477 5.008 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.966 49.931 7.363 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.232 48.452 6.409 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.576 48.965 6.813 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -0.988 51.954 6.283 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.402 50.986 5.736 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.551 51.918 4.558 1.00 0.00 H new ATOM 1059 N ALA A 69 0.632 47.822 5.261 1.00 0.00 N ATOM 1060 CA ALA A 69 1.964 47.354 5.619 1.00 0.00 C ATOM 1061 C ALA A 69 2.656 46.740 4.408 1.00 0.00 C ATOM 1062 O ALA A 69 3.885 46.688 4.345 1.00 0.00 O ATOM 1063 CB ALA A 69 1.881 46.327 6.748 1.00 0.00 C ATOM 0 H ALA A 69 -0.134 47.298 5.684 1.00 0.00 H new ATOM 0 HA ALA A 69 2.548 48.209 5.961 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.884 45.986 7.005 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.418 46.784 7.623 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.281 45.477 6.423 1.00 0.00 H new ATOM 1069 N SER A 70 1.862 46.274 3.451 1.00 0.00 N ATOM 1070 CA SER A 70 2.414 45.668 2.246 1.00 0.00 C ATOM 1071 C SER A 70 3.016 46.745 1.347 1.00 0.00 C ATOM 1072 O SER A 70 4.016 46.517 0.668 1.00 0.00 O ATOM 1073 CB SER A 70 1.323 44.912 1.491 1.00 0.00 C ATOM 1074 OG SER A 70 1.914 44.167 0.436 1.00 0.00 O ATOM 0 H SER A 70 0.843 46.304 3.485 1.00 0.00 H new ATOM 0 HA SER A 70 3.197 44.966 2.533 1.00 0.00 H new ATOM 0 HB2 SER A 70 0.791 44.245 2.169 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.589 45.612 1.091 1.00 0.00 H new ATOM 0 HG SER A 70 1.217 43.679 -0.050 1.00 0.00 H new ATOM 1080 N LEU A 71 2.397 47.921 1.359 1.00 0.00 N ATOM 1081 CA LEU A 71 2.875 49.039 0.554 1.00 0.00 C ATOM 1082 C LEU A 71 4.239 49.481 1.030 1.00 0.00 C ATOM 1083 O LEU A 71 5.039 49.964 0.236 1.00 0.00 O ATOM 1084 CB LEU A 71 1.899 50.213 0.630 1.00 0.00 C ATOM 1085 CG LEU A 71 0.498 49.730 0.254 1.00 0.00 C ATOM 1086 CD1 LEU A 71 -0.488 50.892 0.368 1.00 0.00 C ATOM 1087 CD2 LEU A 71 0.503 49.198 -1.187 1.00 0.00 C ATOM 0 H LEU A 71 1.566 48.124 1.915 1.00 0.00 H new ATOM 0 HA LEU A 71 2.947 48.707 -0.482 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.894 50.632 1.636 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.215 51.008 -0.045 1.00 0.00 H new ATOM 0 HG LEU A 71 0.197 48.930 0.931 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.487 50.549 0.100 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.495 51.264 1.392 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.186 51.693 -0.307 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.497 48.855 -1.452 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.805 49.994 -1.868 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.204 48.367 -1.266 1.00 0.00 H new ATOM 1248 N TYR A 83 13.548 61.614 10.302 1.00 0.00 N ATOM 1249 CA TYR A 83 13.690 63.050 10.450 1.00 0.00 C ATOM 1250 C TYR A 83 14.264 63.655 9.185 1.00 0.00 C ATOM 1251 O TYR A 83 13.725 64.622 8.654 1.00 0.00 O ATOM 1252 CB TYR A 83 14.607 63.363 11.642 1.00 0.00 C ATOM 1253 CG TYR A 83 16.011 62.885 11.331 1.00 0.00 C ATOM 1254 CD1 TYR A 83 16.318 61.523 11.365 1.00 0.00 C ATOM 1255 CD2 TYR A 83 16.995 63.808 11.011 1.00 0.00 C ATOM 1256 CE1 TYR A 83 17.615 61.091 11.080 1.00 0.00 C ATOM 1257 CE2 TYR A 83 18.302 63.386 10.723 1.00 0.00 C ATOM 1258 CZ TYR A 83 18.610 62.021 10.759 1.00 0.00 C ATOM 1259 OH TYR A 83 19.891 61.592 10.476 1.00 0.00 O ATOM 0 HA TYR A 83 12.706 63.484 10.630 1.00 0.00 H new ATOM 0 HB2 TYR A 83 14.611 64.435 11.841 1.00 0.00 H new ATOM 0 HB3 TYR A 83 14.234 62.873 12.541 1.00 0.00 H new ATOM 0 HD1 TYR A 83 15.552 60.803 11.612 1.00 0.00 H new ATOM 0 HD2 TYR A 83 16.754 64.860 10.983 1.00 0.00 H new ATOM 0 HE1 TYR A 83 17.851 60.037 11.107 1.00 0.00 H new ATOM 0 HE2 TYR A 83 19.065 64.109 10.475 1.00 0.00 H new ATOM 0 HH TYR A 83 20.457 62.365 10.272 1.00 0.00 H new ATOM 1269 N LYS A 84 15.360 63.083 8.705 1.00 0.00 N ATOM 1270 CA LYS A 84 15.988 63.590 7.498 1.00 0.00 C ATOM 1271 C LYS A 84 15.054 63.439 6.303 1.00 0.00 C ATOM 1272 O LYS A 84 14.798 64.403 5.588 1.00 0.00 O ATOM 1273 CB LYS A 84 17.304 62.826 7.236 1.00 0.00 C ATOM 1274 CG LYS A 84 18.454 63.814 7.041 1.00 0.00 C ATOM 1275 CD LYS A 84 19.771 63.053 6.925 1.00 0.00 C ATOM 1276 CE LYS A 84 20.914 64.049 6.730 1.00 0.00 C ATOM 1277 NZ LYS A 84 22.201 63.306 6.628 1.00 0.00 N1+ ATOM 0 H LYS A 84 15.825 62.279 9.127 1.00 0.00 H new ATOM 0 HA LYS A 84 16.205 64.649 7.636 1.00 0.00 H new ATOM 0 HB2 LYS A 84 17.522 62.163 8.073 1.00 0.00 H new ATOM 0 HB3 LYS A 84 17.199 62.198 6.351 1.00 0.00 H new ATOM 0 HG2 LYS A 84 18.287 64.409 6.143 1.00 0.00 H new ATOM 0 HG3 LYS A 84 18.496 64.508 7.881 1.00 0.00 H new ATOM 0 HD2 LYS A 84 19.941 62.458 7.822 1.00 0.00 H new ATOM 0 HD3 LYS A 84 19.731 62.359 6.085 1.00 0.00 H new ATOM 0 HE2 LYS A 84 20.748 64.638 5.828 1.00 0.00 H new ATOM 0 HE3 LYS A 84 20.949 64.748 7.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 22.982 63.980 6.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 22.358 62.762 7.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 22.163 62.656 5.817 1.00 0.00 H new ATOM 1291 N ASN A 85 14.568 62.219 6.093 1.00 0.00 N ATOM 1292 CA ASN A 85 13.678 61.948 4.972 1.00 0.00 C ATOM 1293 C ASN A 85 12.443 62.832 5.056 1.00 0.00 C ATOM 1294 O ASN A 85 11.914 63.272 4.042 1.00 0.00 O ATOM 1295 CB ASN A 85 13.258 60.477 4.979 1.00 0.00 C ATOM 1296 CG ASN A 85 11.741 60.368 4.874 1.00 0.00 C ATOM 1297 OD1 ASN A 85 11.016 61.073 5.575 1.00 0.00 O ATOM 1298 ND2 ASN A 85 11.214 59.520 4.033 1.00 0.00 N ATOM 0 H ASN A 85 14.774 61.410 6.679 1.00 0.00 H new ATOM 0 HA ASN A 85 14.209 62.165 4.045 1.00 0.00 H new ATOM 0 HB2 ASN A 85 13.727 59.952 4.147 1.00 0.00 H new ATOM 0 HB3 ASN A 85 13.603 59.996 5.894 1.00 0.00 H new ATOM 0 HD21 ASN A 85 10.200 59.441 3.956 1.00 0.00 H new ATOM 0 HD22 ASN A 85 11.816 58.936 3.453 1.00 0.00 H new ATOM 1305 N LEU A 86 11.981 63.077 6.270 1.00 0.00 N ATOM 1306 CA LEU A 86 10.803 63.904 6.466 1.00 0.00 C ATOM 1307 C LEU A 86 11.064 65.356 6.062 1.00 0.00 C ATOM 1308 O LEU A 86 10.314 65.939 5.282 1.00 0.00 O ATOM 1309 CB LEU A 86 10.383 63.869 7.931 1.00 0.00 C ATOM 1310 CG LEU A 86 8.894 64.232 8.043 1.00 0.00 C ATOM 1311 CD1 LEU A 86 8.047 62.959 7.933 1.00 0.00 C ATOM 1312 CD2 LEU A 86 8.634 64.885 9.395 1.00 0.00 C ATOM 0 H LEU A 86 12.399 62.718 7.128 1.00 0.00 H new ATOM 0 HA LEU A 86 10.010 63.503 5.835 1.00 0.00 H new ATOM 0 HB2 LEU A 86 10.559 62.877 8.348 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.984 64.570 8.510 1.00 0.00 H new ATOM 0 HG LEU A 86 8.629 64.921 7.241 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.991 63.217 8.012 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.232 62.481 6.971 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.315 62.273 8.737 1.00 0.00 H new ATOM 0 HD21 LEU A 86 7.578 65.144 9.477 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.901 64.191 10.192 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.237 65.789 9.485 1.00 0.00 H new ATOM 1324 N LEU A 87 12.126 65.932 6.613 1.00 0.00 N ATOM 1325 CA LEU A 87 12.456 67.327 6.337 1.00 0.00 C ATOM 1326 C LEU A 87 12.663 67.561 4.847 1.00 0.00 C ATOM 1327 O LEU A 87 12.193 68.555 4.294 1.00 0.00 O ATOM 1328 CB LEU A 87 13.733 67.711 7.091 1.00 0.00 C ATOM 1329 CG LEU A 87 13.467 67.729 8.604 1.00 0.00 C ATOM 1330 CD1 LEU A 87 14.803 67.807 9.358 1.00 0.00 C ATOM 1331 CD2 LEU A 87 12.599 68.945 8.971 1.00 0.00 C ATOM 0 H LEU A 87 12.769 65.460 7.249 1.00 0.00 H new ATOM 0 HA LEU A 87 11.622 67.945 6.670 1.00 0.00 H new ATOM 0 HB2 LEU A 87 14.527 67.001 6.862 1.00 0.00 H new ATOM 0 HB3 LEU A 87 14.078 68.692 6.763 1.00 0.00 H new ATOM 0 HG LEU A 87 12.941 66.817 8.885 1.00 0.00 H new ATOM 0 HD11 LEU A 87 14.615 67.820 10.432 1.00 0.00 H new ATOM 0 HD12 LEU A 87 15.414 66.940 9.107 1.00 0.00 H new ATOM 0 HD13 LEU A 87 15.330 68.717 9.071 1.00 0.00 H new ATOM 0 HD21 LEU A 87 12.415 68.950 10.045 1.00 0.00 H new ATOM 0 HD22 LEU A 87 13.117 69.861 8.687 1.00 0.00 H new ATOM 0 HD23 LEU A 87 11.648 68.887 8.441 1.00 0.00 H new ATOM 1343 N GLN A 88 13.360 66.642 4.207 1.00 0.00 N ATOM 1344 CA GLN A 88 13.621 66.752 2.779 1.00 0.00 C ATOM 1345 C GLN A 88 12.376 66.388 1.979 1.00 0.00 C ATOM 1346 O GLN A 88 12.220 66.816 0.834 1.00 0.00 O ATOM 1347 CB GLN A 88 14.787 65.844 2.385 1.00 0.00 C ATOM 1348 CG GLN A 88 14.428 64.390 2.691 1.00 0.00 C ATOM 1349 CD GLN A 88 13.698 63.754 1.510 1.00 0.00 C ATOM 1350 OE1 GLN A 88 13.364 64.439 0.545 1.00 0.00 O ATOM 1351 NE2 GLN A 88 13.430 62.479 1.525 1.00 0.00 N ATOM 0 H GLN A 88 13.756 65.812 4.649 1.00 0.00 H new ATOM 0 HA GLN A 88 13.887 67.785 2.553 1.00 0.00 H new ATOM 0 HB2 GLN A 88 15.009 65.959 1.324 1.00 0.00 H new ATOM 0 HB3 GLN A 88 15.686 66.130 2.932 1.00 0.00 H new ATOM 0 HG2 GLN A 88 15.334 63.825 2.912 1.00 0.00 H new ATOM 0 HG3 GLN A 88 13.800 64.345 3.580 1.00 0.00 H new ATOM 0 HE21 GLN A 88 13.706 61.909 2.325 1.00 0.00 H new ATOM 0 HE22 GLN A 88 12.944 62.051 0.737 1.00 0.00 H new ATOM 1360 N GLU A 89 11.490 65.585 2.581 1.00 0.00 N ATOM 1361 CA GLU A 89 10.274 65.175 1.885 1.00 0.00 C ATOM 1362 C GLU A 89 9.343 66.365 1.675 1.00 0.00 C ATOM 1363 O GLU A 89 8.785 66.543 0.595 1.00 0.00 O ATOM 1364 CB GLU A 89 9.561 64.088 2.702 1.00 0.00 C ATOM 1365 CG GLU A 89 10.005 62.696 2.228 1.00 0.00 C ATOM 1366 CD GLU A 89 9.211 62.298 0.991 1.00 0.00 C ATOM 1367 OE1 GLU A 89 8.681 63.189 0.345 1.00 0.00 O ATOM 1368 OE2 GLU A 89 9.146 61.115 0.707 1.00 0.00 O1- ATOM 0 H GLU A 89 11.591 65.216 3.526 1.00 0.00 H new ATOM 0 HA GLU A 89 10.545 64.779 0.907 1.00 0.00 H new ATOM 0 HB2 GLU A 89 9.788 64.210 3.761 1.00 0.00 H new ATOM 0 HB3 GLU A 89 8.481 64.190 2.594 1.00 0.00 H new ATOM 0 HG2 GLU A 89 11.071 62.701 2.002 1.00 0.00 H new ATOM 0 HG3 GLU A 89 9.851 61.965 3.022 1.00 0.00 H new ATOM 1375 N ILE A 90 9.184 67.168 2.715 1.00 0.00 N ATOM 1376 CA ILE A 90 8.322 68.336 2.639 1.00 0.00 C ATOM 1377 C ILE A 90 8.923 69.376 1.706 1.00 0.00 C ATOM 1378 O ILE A 90 8.208 70.044 0.973 1.00 0.00 O ATOM 1379 CB ILE A 90 8.115 68.933 4.031 1.00 0.00 C ATOM 1380 CG1 ILE A 90 9.475 69.158 4.693 1.00 0.00 C ATOM 1381 CG2 ILE A 90 7.285 67.972 4.883 1.00 0.00 C ATOM 1382 CD1 ILE A 90 9.284 69.885 6.022 1.00 0.00 C ATOM 0 H ILE A 90 9.639 67.033 3.618 1.00 0.00 H new ATOM 0 HA ILE A 90 7.354 68.029 2.242 1.00 0.00 H new ATOM 0 HB ILE A 90 7.589 69.884 3.944 1.00 0.00 H new ATOM 0 HG12 ILE A 90 9.973 68.203 4.858 1.00 0.00 H new ATOM 0 HG13 ILE A 90 10.118 69.743 4.036 1.00 0.00 H new ATOM 0 HG21 ILE A 90 7.138 68.399 5.875 1.00 0.00 H new ATOM 0 HG22 ILE A 90 6.316 67.811 4.410 1.00 0.00 H new ATOM 0 HG23 ILE A 90 7.808 67.020 4.972 1.00 0.00 H new ATOM 0 HD11 ILE A 90 10.254 70.044 6.492 1.00 0.00 H new ATOM 0 HD12 ILE A 90 8.804 70.848 5.845 1.00 0.00 H new ATOM 0 HD13 ILE A 90 8.657 69.283 6.679 1.00 0.00 H new ATOM 1394 N ALA A 91 10.241 69.514 1.753 1.00 0.00 N ATOM 1395 CA ALA A 91 10.923 70.488 0.910 1.00 0.00 C ATOM 1396 C ALA A 91 10.622 70.225 -0.562 1.00 0.00 C ATOM 1397 O ALA A 91 10.242 71.133 -1.300 1.00 0.00 O ATOM 1398 CB ALA A 91 12.434 70.413 1.141 1.00 0.00 C ATOM 0 H ALA A 91 10.855 68.970 2.359 1.00 0.00 H new ATOM 0 HA ALA A 91 10.563 71.483 1.174 1.00 0.00 H new ATOM 0 HB1 ALA A 91 12.936 71.144 0.507 1.00 0.00 H new ATOM 0 HB2 ALA A 91 12.653 70.628 2.187 1.00 0.00 H new ATOM 0 HB3 ALA A 91 12.791 69.413 0.894 1.00 0.00 H new ATOM 1404 N GLN A 92 10.800 68.978 -0.983 1.00 0.00 N ATOM 1405 CA GLN A 92 10.549 68.614 -2.370 1.00 0.00 C ATOM 1406 C GLN A 92 9.074 68.788 -2.715 1.00 0.00 C ATOM 1407 O GLN A 92 8.733 69.384 -3.736 1.00 0.00 O ATOM 1408 CB GLN A 92 10.961 67.157 -2.609 1.00 0.00 C ATOM 1409 CG GLN A 92 10.872 66.828 -4.103 1.00 0.00 C ATOM 1410 CD GLN A 92 11.914 67.631 -4.872 1.00 0.00 C ATOM 1411 OE1 GLN A 92 13.036 67.810 -4.399 1.00 0.00 O ATOM 1412 NE2 GLN A 92 11.610 68.129 -6.039 1.00 0.00 N ATOM 0 H GLN A 92 11.114 68.210 -0.390 1.00 0.00 H new ATOM 0 HA GLN A 92 11.139 69.271 -3.009 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.978 66.994 -2.252 1.00 0.00 H new ATOM 0 HB3 GLN A 92 10.313 66.489 -2.041 1.00 0.00 H new ATOM 0 HG2 GLN A 92 11.033 65.761 -4.260 1.00 0.00 H new ATOM 0 HG3 GLN A 92 9.874 67.058 -4.476 1.00 0.00 H new ATOM 0 HE21 GLN A 92 10.680 67.980 -6.430 1.00 0.00 H new ATOM 0 HE22 GLN A 92 12.302 68.667 -6.560 1.00 0.00 H new ATOM 1421 N LYS A 93 8.204 68.261 -1.862 1.00 0.00 N ATOM 1422 CA LYS A 93 6.767 68.363 -2.097 1.00 0.00 C ATOM 1423 C LYS A 93 6.330 69.820 -2.107 1.00 0.00 C ATOM 1424 O LYS A 93 5.600 70.253 -2.997 1.00 0.00 O ATOM 1425 CB LYS A 93 6.014 67.603 -1.002 1.00 0.00 C ATOM 1426 CG LYS A 93 6.340 66.107 -1.090 1.00 0.00 C ATOM 1427 CD LYS A 93 5.615 65.476 -2.284 1.00 0.00 C ATOM 1428 CE LYS A 93 5.597 63.958 -2.131 1.00 0.00 C ATOM 1429 NZ LYS A 93 6.995 63.447 -2.121 1.00 0.00 N1+ ATOM 0 H LYS A 93 8.463 67.764 -1.010 1.00 0.00 H new ATOM 0 HA LYS A 93 6.538 67.926 -3.069 1.00 0.00 H new ATOM 0 HB2 LYS A 93 6.293 67.988 -0.021 1.00 0.00 H new ATOM 0 HB3 LYS A 93 4.941 67.758 -1.112 1.00 0.00 H new ATOM 0 HG2 LYS A 93 7.416 65.967 -1.194 1.00 0.00 H new ATOM 0 HG3 LYS A 93 6.041 65.607 -0.168 1.00 0.00 H new ATOM 0 HD2 LYS A 93 4.596 65.857 -2.346 1.00 0.00 H new ATOM 0 HD3 LYS A 93 6.115 65.752 -3.212 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.090 63.680 -1.207 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.038 63.505 -2.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.011 62.474 -2.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.590 64.052 -2.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 7.362 63.458 -1.148 1.00 0.00 H new ATOM 1443 N GLU A 94 6.789 70.569 -1.118 1.00 0.00 N ATOM 1444 CA GLU A 94 6.449 71.985 -1.024 1.00 0.00 C ATOM 1445 C GLU A 94 7.207 72.782 -2.083 1.00 0.00 C ATOM 1446 O GLU A 94 6.981 73.979 -2.246 1.00 0.00 O ATOM 1447 CB GLU A 94 6.800 72.523 0.363 1.00 0.00 C ATOM 1448 CG GLU A 94 5.897 71.865 1.409 1.00 0.00 C ATOM 1449 CD GLU A 94 6.290 72.331 2.806 1.00 0.00 C ATOM 1450 OE1 GLU A 94 7.231 73.100 2.909 1.00 0.00 O ATOM 1451 OE2 GLU A 94 5.643 71.913 3.752 1.00 0.00 O1- ATOM 0 H GLU A 94 7.394 70.226 -0.372 1.00 0.00 H new ATOM 0 HA GLU A 94 5.377 72.093 -1.191 1.00 0.00 H new ATOM 0 HB2 GLU A 94 7.846 72.319 0.590 1.00 0.00 H new ATOM 0 HB3 GLU A 94 6.674 73.605 0.388 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.855 72.118 1.212 1.00 0.00 H new ATOM 0 HG3 GLU A 94 5.980 70.780 1.342 1.00 0.00 H new ATOM 1458 N SER A 95 8.105 72.107 -2.796 1.00 0.00 N ATOM 1459 CA SER A 95 8.892 72.760 -3.836 1.00 0.00 C ATOM 1460 C SER A 95 9.906 73.721 -3.220 1.00 0.00 C ATOM 1461 O SER A 95 10.587 74.459 -3.932 1.00 0.00 O ATOM 1462 CB SER A 95 7.964 73.525 -4.788 1.00 0.00 C ATOM 1463 OG SER A 95 8.587 73.635 -6.061 1.00 0.00 O ATOM 0 H SER A 95 8.304 71.114 -2.673 1.00 0.00 H new ATOM 0 HA SER A 95 9.432 71.995 -4.394 1.00 0.00 H new ATOM 0 HB2 SER A 95 7.010 73.006 -4.880 1.00 0.00 H new ATOM 0 HB3 SER A 95 7.750 74.516 -4.388 1.00 0.00 H new ATOM 0 HG SER A 95 9.492 73.996 -5.952 1.00 0.00 H new ATOM 1469 N SER A 96 9.995 73.709 -1.896 1.00 0.00 N ATOM 1470 CA SER A 96 10.926 74.583 -1.192 1.00 0.00 C ATOM 1471 C SER A 96 12.345 74.033 -1.280 1.00 0.00 C ATOM 1472 O SER A 96 12.548 72.868 -1.626 1.00 0.00 O ATOM 1473 CB SER A 96 10.516 74.712 0.274 1.00 0.00 C ATOM 1474 OG SER A 96 9.356 75.525 0.366 1.00 0.00 O ATOM 0 H SER A 96 9.437 73.107 -1.290 1.00 0.00 H new ATOM 0 HA SER A 96 10.899 75.566 -1.662 1.00 0.00 H new ATOM 0 HB2 SER A 96 10.318 73.727 0.696 1.00 0.00 H new ATOM 0 HB3 SER A 96 11.328 75.150 0.854 1.00 0.00 H new ATOM 0 HG SER A 96 9.089 75.609 1.305 1.00 0.00 H new ATOM 1480 N LEU A 97 13.324 74.876 -0.970 1.00 0.00 N ATOM 1481 CA LEU A 97 14.720 74.458 -1.020 1.00 0.00 C ATOM 1482 C LEU A 97 15.008 73.430 0.061 1.00 0.00 C ATOM 1483 O LEU A 97 14.567 73.577 1.201 1.00 0.00 O ATOM 1484 CB LEU A 97 15.630 75.675 -0.821 1.00 0.00 C ATOM 1485 CG LEU A 97 15.288 76.745 -1.861 1.00 0.00 C ATOM 1486 CD1 LEU A 97 16.131 77.996 -1.601 1.00 0.00 C ATOM 1487 CD2 LEU A 97 15.583 76.210 -3.272 1.00 0.00 C ATOM 0 H LEU A 97 13.179 75.844 -0.684 1.00 0.00 H new ATOM 0 HA LEU A 97 14.914 74.008 -1.994 1.00 0.00 H new ATOM 0 HB2 LEU A 97 15.503 76.076 0.184 1.00 0.00 H new ATOM 0 HB3 LEU A 97 16.675 75.380 -0.917 1.00 0.00 H new ATOM 0 HG LEU A 97 14.230 76.997 -1.786 1.00 0.00 H new ATOM 0 HD11 LEU A 97 15.888 78.759 -2.341 1.00 0.00 H new ATOM 0 HD12 LEU A 97 15.917 78.378 -0.603 1.00 0.00 H new ATOM 0 HD13 LEU A 97 17.189 77.743 -1.674 1.00 0.00 H new ATOM 0 HD21 LEU A 97 15.338 76.974 -4.009 1.00 0.00 H new ATOM 0 HD22 LEU A 97 16.640 75.955 -3.351 1.00 0.00 H new ATOM 0 HD23 LEU A 97 14.980 75.321 -3.457 1.00 0.00 H new ATOM 1499 N LEU A 98 15.742 72.384 -0.301 1.00 0.00 N ATOM 1500 CA LEU A 98 16.068 71.333 0.645 1.00 0.00 C ATOM 1501 C LEU A 98 16.516 71.929 1.981 1.00 0.00 C ATOM 1502 O LEU A 98 17.023 73.049 2.033 1.00 0.00 O ATOM 1503 CB LEU A 98 17.192 70.446 0.072 1.00 0.00 C ATOM 1504 CG LEU A 98 16.585 69.315 -0.761 1.00 0.00 C ATOM 1505 CD1 LEU A 98 15.776 69.912 -1.913 1.00 0.00 C ATOM 1506 CD2 LEU A 98 17.704 68.439 -1.320 1.00 0.00 C ATOM 0 H LEU A 98 16.119 72.245 -1.238 1.00 0.00 H new ATOM 0 HA LEU A 98 15.176 70.730 0.813 1.00 0.00 H new ATOM 0 HB2 LEU A 98 17.862 71.045 -0.545 1.00 0.00 H new ATOM 0 HB3 LEU A 98 17.790 70.032 0.883 1.00 0.00 H new ATOM 0 HG LEU A 98 15.931 68.709 -0.134 1.00 0.00 H new ATOM 0 HD11 LEU A 98 15.342 69.108 -2.508 1.00 0.00 H new ATOM 0 HD12 LEU A 98 14.978 70.537 -1.512 1.00 0.00 H new ATOM 0 HD13 LEU A 98 16.430 70.517 -2.542 1.00 0.00 H new ATOM 0 HD21 LEU A 98 17.273 67.633 -1.914 1.00 0.00 H new ATOM 0 HD22 LEU A 98 18.359 69.042 -1.949 1.00 0.00 H new ATOM 0 HD23 LEU A 98 18.280 68.016 -0.497 1.00 0.00 H new ATOM 1518 N PRO A 99 16.342 71.191 3.045 1.00 0.00 N ATOM 1519 CA PRO A 99 16.737 71.632 4.413 1.00 0.00 C ATOM 1520 C PRO A 99 18.251 71.744 4.558 1.00 0.00 C ATOM 1521 O PRO A 99 19.001 71.358 3.661 1.00 0.00 O ATOM 1522 CB PRO A 99 16.163 70.545 5.333 1.00 0.00 C ATOM 1523 CG PRO A 99 16.044 69.330 4.468 1.00 0.00 C ATOM 1524 CD PRO A 99 15.739 69.844 3.068 1.00 0.00 C ATOM 0 HA PRO A 99 16.359 72.626 4.652 1.00 0.00 H new ATOM 0 HB2 PRO A 99 16.819 70.361 6.184 1.00 0.00 H new ATOM 0 HB3 PRO A 99 15.194 70.840 5.735 1.00 0.00 H new ATOM 0 HG2 PRO A 99 16.967 68.751 4.479 1.00 0.00 H new ATOM 0 HG3 PRO A 99 15.251 68.673 4.824 1.00 0.00 H new ATOM 0 HD2 PRO A 99 16.172 69.200 2.303 1.00 0.00 H new ATOM 0 HD3 PRO A 99 14.666 69.884 2.882 1.00 0.00 H new ATOM 1532 N PHE A 100 18.695 72.256 5.704 1.00 0.00 N ATOM 1533 CA PHE A 100 20.127 72.383 5.967 1.00 0.00 C ATOM 1534 C PHE A 100 20.425 72.042 7.422 1.00 0.00 C ATOM 1535 O PHE A 100 19.852 72.631 8.339 1.00 0.00 O ATOM 1536 CB PHE A 100 20.585 73.808 5.661 1.00 0.00 C ATOM 1537 CG PHE A 100 22.076 73.823 5.438 1.00 0.00 C ATOM 1538 CD1 PHE A 100 22.595 73.485 4.184 1.00 0.00 C ATOM 1539 CD2 PHE A 100 22.936 74.173 6.482 1.00 0.00 C ATOM 1540 CE1 PHE A 100 23.977 73.498 3.973 1.00 0.00 C ATOM 1541 CE2 PHE A 100 24.318 74.185 6.275 1.00 0.00 C ATOM 1542 CZ PHE A 100 24.840 73.848 5.018 1.00 0.00 C ATOM 0 H PHE A 100 18.092 72.586 6.458 1.00 0.00 H new ATOM 0 HA PHE A 100 20.668 71.688 5.325 1.00 0.00 H new ATOM 0 HB2 PHE A 100 20.071 74.184 4.776 1.00 0.00 H new ATOM 0 HB3 PHE A 100 20.324 74.470 6.487 1.00 0.00 H new ATOM 0 HD1 PHE A 100 21.928 73.214 3.379 1.00 0.00 H new ATOM 0 HD2 PHE A 100 22.533 74.434 7.449 1.00 0.00 H new ATOM 0 HE1 PHE A 100 24.378 73.238 3.005 1.00 0.00 H new ATOM 0 HE2 PHE A 100 24.983 74.454 7.082 1.00 0.00 H new ATOM 0 HZ PHE A 100 25.908 73.858 4.856 1.00 0.00 H new ATOM 1552 N TYR A 101 21.316 71.079 7.629 1.00 0.00 N ATOM 1553 CA TYR A 101 21.667 70.655 8.984 1.00 0.00 C ATOM 1554 C TYR A 101 23.005 71.250 9.407 1.00 0.00 C ATOM 1555 O TYR A 101 24.006 71.123 8.702 1.00 0.00 O ATOM 1556 CB TYR A 101 21.755 69.129 9.042 1.00 0.00 C ATOM 1557 CG TYR A 101 20.429 68.532 8.640 1.00 0.00 C ATOM 1558 CD1 TYR A 101 20.172 68.246 7.292 1.00 0.00 C ATOM 1559 CD2 TYR A 101 19.455 68.268 9.609 1.00 0.00 C ATOM 1560 CE1 TYR A 101 18.942 67.697 6.916 1.00 0.00 C ATOM 1561 CE2 TYR A 101 18.225 67.717 9.232 1.00 0.00 C ATOM 1562 CZ TYR A 101 17.970 67.430 7.887 1.00 0.00 C ATOM 1563 OH TYR A 101 16.757 66.890 7.515 1.00 0.00 O ATOM 0 H TYR A 101 21.805 70.580 6.886 1.00 0.00 H new ATOM 0 HA TYR A 101 20.892 71.008 9.665 1.00 0.00 H new ATOM 0 HB2 TYR A 101 22.542 68.774 8.377 1.00 0.00 H new ATOM 0 HB3 TYR A 101 22.020 68.808 10.049 1.00 0.00 H new ATOM 0 HD1 TYR A 101 20.924 68.450 6.544 1.00 0.00 H new ATOM 0 HD2 TYR A 101 19.652 68.489 10.648 1.00 0.00 H new ATOM 0 HE1 TYR A 101 18.742 67.479 5.877 1.00 0.00 H new ATOM 0 HE2 TYR A 101 17.473 67.513 9.980 1.00 0.00 H new ATOM 0 HH TYR A 101 16.855 66.426 6.657 1.00 0.00 H new ATOM 1573 N ALA A 102 23.018 71.899 10.569 1.00 0.00 N ATOM 1574 CA ALA A 102 24.242 72.505 11.089 1.00 0.00 C ATOM 1575 C ALA A 102 24.337 72.281 12.590 1.00 0.00 C ATOM 1576 O ALA A 102 23.344 72.403 13.305 1.00 0.00 O ATOM 1577 CB ALA A 102 24.254 74.005 10.790 1.00 0.00 C ATOM 0 H ALA A 102 22.200 72.019 11.166 1.00 0.00 H new ATOM 0 HA ALA A 102 25.098 72.038 10.603 1.00 0.00 H new ATOM 0 HB1 ALA A 102 25.170 74.447 11.182 1.00 0.00 H new ATOM 0 HB2 ALA A 102 24.208 74.162 9.712 1.00 0.00 H new ATOM 0 HB3 ALA A 102 23.393 74.477 11.263 1.00 0.00 H new ATOM 1583 N THR A 103 25.538 71.956 13.061 1.00 0.00 N ATOM 1584 CA THR A 103 25.762 71.711 14.486 1.00 0.00 C ATOM 1585 C THR A 103 26.854 72.626 15.020 1.00 0.00 C ATOM 1586 O THR A 103 27.912 72.767 14.405 1.00 0.00 O ATOM 1587 CB THR A 103 26.163 70.255 14.708 1.00 0.00 C ATOM 1588 OG1 THR A 103 25.101 69.406 14.294 1.00 0.00 O ATOM 1589 CG2 THR A 103 26.454 70.026 16.192 1.00 0.00 C ATOM 0 H THR A 103 26.370 71.856 12.480 1.00 0.00 H new ATOM 0 HA THR A 103 24.835 71.918 15.021 1.00 0.00 H new ATOM 0 HB THR A 103 27.057 70.030 14.126 1.00 0.00 H new ATOM 0 HG1 THR A 103 25.357 68.470 14.434 1.00 0.00 H new ATOM 0 HG21 THR A 103 26.740 68.986 16.350 1.00 0.00 H new ATOM 0 HG22 THR A 103 27.268 70.679 16.508 1.00 0.00 H new ATOM 0 HG23 THR A 103 25.562 70.250 16.777 1.00 0.00 H new ATOM 1597 N ALA A 104 26.597 73.247 16.172 1.00 0.00 N ATOM 1598 CA ALA A 104 27.573 74.147 16.789 1.00 0.00 C ATOM 1599 C ALA A 104 27.920 73.666 18.192 1.00 0.00 C ATOM 1600 O ALA A 104 27.061 73.158 18.912 1.00 0.00 O ATOM 1601 CB ALA A 104 26.999 75.564 16.857 1.00 0.00 C ATOM 0 H ALA A 104 25.727 73.145 16.694 1.00 0.00 H new ATOM 0 HA ALA A 104 28.479 74.152 16.183 1.00 0.00 H new ATOM 0 HB1 ALA A 104 27.729 76.230 17.317 1.00 0.00 H new ATOM 0 HB2 ALA A 104 26.773 75.914 15.850 1.00 0.00 H new ATOM 0 HB3 ALA A 104 26.086 75.559 17.453 1.00 0.00 H new ATOM 1607 N THR A 105 29.186 73.829 18.582 1.00 0.00 N ATOM 1608 CA THR A 105 29.638 73.411 19.898 1.00 0.00 C ATOM 1609 C THR A 105 29.780 74.618 20.819 1.00 0.00 C ATOM 1610 O THR A 105 30.337 75.646 20.432 1.00 0.00 O ATOM 1611 CB THR A 105 30.980 72.704 19.770 1.00 0.00 C ATOM 1612 OG1 THR A 105 31.993 73.647 19.447 1.00 0.00 O ATOM 1613 CG2 THR A 105 30.904 71.636 18.677 1.00 0.00 C ATOM 0 H THR A 105 29.912 74.248 18.001 1.00 0.00 H new ATOM 0 HA THR A 105 28.903 72.730 20.326 1.00 0.00 H new ATOM 0 HB THR A 105 31.222 72.228 20.720 1.00 0.00 H new ATOM 0 HG1 THR A 105 32.855 73.187 19.368 1.00 0.00 H new ATOM 0 HG21 THR A 105 31.868 71.134 18.591 1.00 0.00 H new ATOM 0 HG22 THR A 105 30.137 70.906 18.934 1.00 0.00 H new ATOM 0 HG23 THR A 105 30.653 72.106 17.726 1.00 0.00 H new ATOM 1621 N SER A 106 29.271 74.486 22.039 1.00 0.00 N ATOM 1622 CA SER A 106 29.348 75.571 23.007 1.00 0.00 C ATOM 1623 C SER A 106 29.034 75.057 24.403 1.00 0.00 C ATOM 1624 O SER A 106 28.472 73.975 24.560 1.00 0.00 O ATOM 1625 CB SER A 106 28.364 76.676 22.634 1.00 0.00 C ATOM 1626 OG SER A 106 27.038 76.175 22.722 1.00 0.00 O ATOM 0 H SER A 106 28.804 73.645 22.378 1.00 0.00 H new ATOM 0 HA SER A 106 30.361 75.973 22.997 1.00 0.00 H new ATOM 0 HB2 SER A 106 28.488 77.529 23.301 1.00 0.00 H new ATOM 0 HB3 SER A 106 28.564 77.031 21.623 1.00 0.00 H new ATOM 0 HG SER A 106 26.404 76.884 22.484 1.00 0.00 H new ATOM 1632 N GLY A 107 29.397 75.843 25.416 1.00 0.00 N ATOM 1633 CA GLY A 107 29.147 75.460 26.802 1.00 0.00 C ATOM 1634 C GLY A 107 30.447 75.395 27.593 1.00 0.00 C ATOM 1635 O GLY A 107 31.523 75.674 27.062 1.00 0.00 O ATOM 0 H GLY A 107 29.862 76.744 25.303 1.00 0.00 H new ATOM 0 HA2 GLY A 107 28.471 76.178 27.265 1.00 0.00 H new ATOM 0 HA3 GLY A 107 28.650 74.490 26.831 1.00 0.00 H new ATOM 1639 N PRO A 108 30.364 75.032 28.844 1.00 0.00 N ATOM 1640 CA PRO A 108 31.557 74.926 29.735 1.00 0.00 C ATOM 1641 C PRO A 108 32.531 73.847 29.269 1.00 0.00 C ATOM 1642 O PRO A 108 32.132 72.862 28.648 1.00 0.00 O ATOM 1643 CB PRO A 108 30.957 74.567 31.108 1.00 0.00 C ATOM 1644 CG PRO A 108 29.620 73.988 30.812 1.00 0.00 C ATOM 1645 CD PRO A 108 29.120 74.681 29.552 1.00 0.00 C ATOM 0 HA PRO A 108 32.140 75.847 29.747 1.00 0.00 H new ATOM 0 HB2 PRO A 108 31.587 73.852 31.638 1.00 0.00 H new ATOM 0 HB3 PRO A 108 30.872 75.449 31.743 1.00 0.00 H new ATOM 0 HG2 PRO A 108 29.688 72.911 30.661 1.00 0.00 H new ATOM 0 HG3 PRO A 108 28.934 74.151 31.643 1.00 0.00 H new ATOM 0 HD2 PRO A 108 28.489 74.023 28.955 1.00 0.00 H new ATOM 0 HD3 PRO A 108 28.527 75.565 29.787 1.00 0.00 H new ATOM 1653 N SER A 109 33.806 74.036 29.590 1.00 0.00 N ATOM 1654 CA SER A 109 34.825 73.065 29.220 1.00 0.00 C ATOM 1655 C SER A 109 34.606 71.758 29.976 1.00 0.00 C ATOM 1656 O SER A 109 35.128 70.713 29.585 1.00 0.00 O ATOM 1657 CB SER A 109 36.215 73.617 29.544 1.00 0.00 C ATOM 1658 OG SER A 109 36.284 73.931 30.928 1.00 0.00 O ATOM 0 H SER A 109 34.155 74.846 30.102 1.00 0.00 H new ATOM 0 HA SER A 109 34.753 72.874 28.149 1.00 0.00 H new ATOM 0 HB2 SER A 109 36.979 72.883 29.287 1.00 0.00 H new ATOM 0 HB3 SER A 109 36.414 74.507 28.947 1.00 0.00 H new ATOM 0 HG SER A 109 37.174 74.283 31.140 1.00 0.00 H new ATOM 1664 N HIS A 110 33.831 71.822 31.058 1.00 0.00 N ATOM 1665 CA HIS A 110 33.549 70.633 31.859 1.00 0.00 C ATOM 1666 C HIS A 110 32.326 69.910 31.327 1.00 0.00 C ATOM 1667 O HIS A 110 32.325 68.685 31.201 1.00 0.00 O ATOM 1668 CB HIS A 110 33.316 71.028 33.316 1.00 0.00 C ATOM 1669 CG HIS A 110 34.592 71.567 33.898 1.00 0.00 C ATOM 1670 ND1 HIS A 110 35.680 70.754 34.174 1.00 0.00 N ATOM 1671 CD2 HIS A 110 34.970 72.835 34.264 1.00 0.00 C ATOM 1672 CE1 HIS A 110 36.651 71.534 34.684 1.00 0.00 C ATOM 1673 NE2 HIS A 110 36.270 72.811 34.759 1.00 0.00 N ATOM 0 H HIS A 110 33.391 72.677 31.398 1.00 0.00 H new ATOM 0 HA HIS A 110 34.408 69.965 31.797 1.00 0.00 H new ATOM 0 HB2 HIS A 110 32.529 71.779 33.379 1.00 0.00 H new ATOM 0 HB3 HIS A 110 32.979 70.164 33.889 1.00 0.00 H new ATOM 0 HD2 HIS A 110 34.352 73.717 34.180 1.00 0.00 H new ATOM 0 HE1 HIS A 110 37.620 71.171 34.994 1.00 0.00 H new ATOM 0 HE2 HIS A 110 36.815 73.600 35.105 1.00 0.00 H new ATOM 1681 N ALA A 111 31.286 70.679 30.994 1.00 0.00 N ATOM 1682 CA ALA A 111 30.055 70.103 30.452 1.00 0.00 C ATOM 1683 C ALA A 111 29.703 70.764 29.119 1.00 0.00 C ATOM 1684 O ALA A 111 28.801 71.598 29.045 1.00 0.00 O ATOM 1685 CB ALA A 111 28.906 70.282 31.454 1.00 0.00 C ATOM 0 H ALA A 111 31.272 71.694 31.090 1.00 0.00 H new ATOM 0 HA ALA A 111 30.210 69.038 30.281 1.00 0.00 H new ATOM 0 HB1 ALA A 111 27.994 69.850 31.042 1.00 0.00 H new ATOM 0 HB2 ALA A 111 29.156 69.779 32.388 1.00 0.00 H new ATOM 0 HB3 ALA A 111 28.751 71.344 31.644 1.00 0.00 H new ATOM 1691 N PRO A 112 30.385 70.399 28.066 1.00 0.00 N ATOM 1692 CA PRO A 112 30.140 70.973 26.716 1.00 0.00 C ATOM 1693 C PRO A 112 28.927 70.354 26.031 1.00 0.00 C ATOM 1694 O PRO A 112 28.747 69.140 26.051 1.00 0.00 O ATOM 1695 CB PRO A 112 31.430 70.650 25.950 1.00 0.00 C ATOM 1696 CG PRO A 112 31.978 69.412 26.598 1.00 0.00 C ATOM 1697 CD PRO A 112 31.463 69.397 28.048 1.00 0.00 C ATOM 0 HA PRO A 112 29.917 72.039 26.759 1.00 0.00 H new ATOM 0 HB2 PRO A 112 31.228 70.483 24.892 1.00 0.00 H new ATOM 0 HB3 PRO A 112 32.141 71.474 26.012 1.00 0.00 H new ATOM 0 HG2 PRO A 112 31.651 68.520 26.063 1.00 0.00 H new ATOM 0 HG3 PRO A 112 33.068 69.415 26.576 1.00 0.00 H new ATOM 0 HD2 PRO A 112 31.093 68.411 28.328 1.00 0.00 H new ATOM 0 HD3 PRO A 112 32.254 69.652 28.753 1.00 0.00 H new ATOM 1705 N THR A 113 28.101 71.201 25.424 1.00 0.00 N ATOM 1706 CA THR A 113 26.901 70.738 24.728 1.00 0.00 C ATOM 1707 C THR A 113 26.943 71.170 23.276 1.00 0.00 C ATOM 1708 O THR A 113 27.845 71.898 22.863 1.00 0.00 O ATOM 1709 CB THR A 113 25.650 71.302 25.406 1.00 0.00 C ATOM 1710 OG1 THR A 113 25.406 72.616 24.927 1.00 0.00 O ATOM 1711 CG2 THR A 113 25.852 71.333 26.921 1.00 0.00 C ATOM 0 H THR A 113 28.239 72.211 25.399 1.00 0.00 H new ATOM 0 HA THR A 113 26.866 69.649 24.772 1.00 0.00 H new ATOM 0 HB THR A 113 24.795 70.667 25.174 1.00 0.00 H new ATOM 0 HG1 THR A 113 24.604 72.978 25.359 1.00 0.00 H new ATOM 0 HG21 THR A 113 24.959 71.735 27.399 1.00 0.00 H new ATOM 0 HG22 THR A 113 26.034 70.322 27.285 1.00 0.00 H new ATOM 0 HG23 THR A 113 26.708 71.964 27.161 1.00 0.00 H new ATOM 1719 N PHE A 114 25.963 70.715 22.502 1.00 0.00 N ATOM 1720 CA PHE A 114 25.899 71.054 21.083 1.00 0.00 C ATOM 1721 C PHE A 114 24.497 71.524 20.715 1.00 0.00 C ATOM 1722 O PHE A 114 23.506 71.024 21.244 1.00 0.00 O ATOM 1723 CB PHE A 114 26.268 69.821 20.241 1.00 0.00 C ATOM 1724 CG PHE A 114 27.234 68.958 21.018 1.00 0.00 C ATOM 1725 CD1 PHE A 114 28.568 69.343 21.154 1.00 0.00 C ATOM 1726 CD2 PHE A 114 26.786 67.772 21.608 1.00 0.00 C ATOM 1727 CE1 PHE A 114 29.461 68.543 21.875 1.00 0.00 C ATOM 1728 CE2 PHE A 114 27.677 66.973 22.328 1.00 0.00 C ATOM 1729 CZ PHE A 114 29.015 67.354 22.461 1.00 0.00 C ATOM 0 H PHE A 114 25.206 70.114 22.830 1.00 0.00 H new ATOM 0 HA PHE A 114 26.605 71.859 20.880 1.00 0.00 H new ATOM 0 HB2 PHE A 114 25.371 69.252 19.995 1.00 0.00 H new ATOM 0 HB3 PHE A 114 26.717 70.131 19.298 1.00 0.00 H new ATOM 0 HD1 PHE A 114 28.912 70.261 20.701 1.00 0.00 H new ATOM 0 HD2 PHE A 114 25.753 67.474 21.507 1.00 0.00 H new ATOM 0 HE1 PHE A 114 30.493 68.843 21.979 1.00 0.00 H new ATOM 0 HE2 PHE A 114 27.331 66.057 22.784 1.00 0.00 H new ATOM 0 HZ PHE A 114 29.703 66.732 23.015 1.00 0.00 H new ATOM 1739 N THR A 115 24.421 72.480 19.792 1.00 0.00 N ATOM 1740 CA THR A 115 23.132 73.006 19.340 1.00 0.00 C ATOM 1741 C THR A 115 22.979 72.796 17.841 1.00 0.00 C ATOM 1742 O THR A 115 23.823 73.226 17.054 1.00 0.00 O ATOM 1743 CB THR A 115 23.039 74.497 19.664 1.00 0.00 C ATOM 1744 OG1 THR A 115 23.163 74.679 21.068 1.00 0.00 O ATOM 1745 CG2 THR A 115 21.686 75.032 19.194 1.00 0.00 C ATOM 0 H THR A 115 25.232 72.906 19.343 1.00 0.00 H new ATOM 0 HA THR A 115 22.333 72.475 19.856 1.00 0.00 H new ATOM 0 HB THR A 115 23.838 75.037 19.156 1.00 0.00 H new ATOM 0 HG1 THR A 115 23.106 75.634 21.280 1.00 0.00 H new ATOM 0 HG21 THR A 115 21.616 76.095 19.423 1.00 0.00 H new ATOM 0 HG22 THR A 115 21.591 74.886 18.118 1.00 0.00 H new ATOM 0 HG23 THR A 115 20.886 74.497 19.705 1.00 0.00 H new ATOM 1753 N SER A 116 21.898 72.129 17.449 1.00 0.00 N ATOM 1754 CA SER A 116 21.646 71.863 16.034 1.00 0.00 C ATOM 1755 C SER A 116 20.611 72.833 15.485 1.00 0.00 C ATOM 1756 O SER A 116 19.487 72.903 15.981 1.00 0.00 O ATOM 1757 CB SER A 116 21.136 70.434 15.860 1.00 0.00 C ATOM 1758 OG SER A 116 21.011 70.148 14.472 1.00 0.00 O ATOM 0 H SER A 116 21.187 71.765 18.084 1.00 0.00 H new ATOM 0 HA SER A 116 22.580 71.992 15.487 1.00 0.00 H new ATOM 0 HB2 SER A 116 21.824 69.730 16.328 1.00 0.00 H new ATOM 0 HB3 SER A 116 20.173 70.316 16.356 1.00 0.00 H new ATOM 0 HG SER A 116 20.111 70.389 14.168 1.00 0.00 H new ATOM 1764 N THR A 117 20.996 73.583 14.456 1.00 0.00 N ATOM 1765 CA THR A 117 20.092 74.553 13.839 1.00 0.00 C ATOM 1766 C THR A 117 19.644 74.059 12.474 1.00 0.00 C ATOM 1767 O THR A 117 20.465 73.649 11.654 1.00 0.00 O ATOM 1768 CB THR A 117 20.797 75.902 13.686 1.00 0.00 C ATOM 1769 OG1 THR A 117 21.209 76.366 14.964 1.00 0.00 O ATOM 1770 CG2 THR A 117 19.833 76.912 13.063 1.00 0.00 C ATOM 0 H THR A 117 21.923 73.539 14.032 1.00 0.00 H new ATOM 0 HA THR A 117 19.219 74.672 14.481 1.00 0.00 H new ATOM 0 HB THR A 117 21.669 75.787 13.042 1.00 0.00 H new ATOM 0 HG1 THR A 117 21.662 77.229 14.868 1.00 0.00 H new ATOM 0 HG21 THR A 117 20.334 77.874 12.954 1.00 0.00 H new ATOM 0 HG22 THR A 117 19.515 76.555 12.083 1.00 0.00 H new ATOM 0 HG23 THR A 117 18.962 77.028 13.707 1.00 0.00 H new ATOM 1778 N VAL A 118 18.334 74.086 12.239 1.00 0.00 N ATOM 1779 CA VAL A 118 17.780 73.624 10.964 1.00 0.00 C ATOM 1780 C VAL A 118 17.251 74.806 10.161 1.00 0.00 C ATOM 1781 O VAL A 118 16.598 75.693 10.705 1.00 0.00 O ATOM 1782 CB VAL A 118 16.652 72.624 11.221 1.00 0.00 C ATOM 1783 CG1 VAL A 118 15.430 73.354 11.781 1.00 0.00 C ATOM 1784 CG2 VAL A 118 16.279 71.935 9.906 1.00 0.00 C ATOM 0 H VAL A 118 17.639 74.420 12.907 1.00 0.00 H new ATOM 0 HA VAL A 118 18.569 73.136 10.393 1.00 0.00 H new ATOM 0 HB VAL A 118 16.985 71.879 11.944 1.00 0.00 H new ATOM 0 HG11 VAL A 118 14.629 72.637 11.962 1.00 0.00 H new ATOM 0 HG12 VAL A 118 15.697 73.845 12.717 1.00 0.00 H new ATOM 0 HG13 VAL A 118 15.092 74.101 11.063 1.00 0.00 H new ATOM 0 HG21 VAL A 118 15.475 71.221 10.085 1.00 0.00 H new ATOM 0 HG22 VAL A 118 15.947 72.682 9.185 1.00 0.00 H new ATOM 0 HG23 VAL A 118 17.149 71.410 9.511 1.00 0.00 H new ATOM 1794 N GLU A 119 17.533 74.804 8.861 1.00 0.00 N ATOM 1795 CA GLU A 119 17.076 75.881 7.979 1.00 0.00 C ATOM 1796 C GLU A 119 16.286 75.307 6.809 1.00 0.00 C ATOM 1797 O GLU A 119 16.698 74.327 6.189 1.00 0.00 O ATOM 1798 CB GLU A 119 18.275 76.674 7.465 1.00 0.00 C ATOM 1799 CG GLU A 119 17.788 77.921 6.734 1.00 0.00 C ATOM 1800 CD GLU A 119 18.980 78.736 6.247 1.00 0.00 C ATOM 1801 OE1 GLU A 119 20.079 78.479 6.712 1.00 0.00 O ATOM 1802 OE2 GLU A 119 18.777 79.606 5.417 1.00 0.00 O1- ATOM 0 H GLU A 119 18.072 74.075 8.394 1.00 0.00 H new ATOM 0 HA GLU A 119 16.425 76.547 8.544 1.00 0.00 H new ATOM 0 HB2 GLU A 119 18.921 76.956 8.297 1.00 0.00 H new ATOM 0 HB3 GLU A 119 18.872 76.056 6.794 1.00 0.00 H new ATOM 0 HG2 GLU A 119 17.162 77.636 5.889 1.00 0.00 H new ATOM 0 HG3 GLU A 119 17.171 78.525 7.399 1.00 0.00 H new ATOM 1809 N PHE A 120 15.157 75.936 6.505 1.00 0.00 N ATOM 1810 CA PHE A 120 14.328 75.487 5.399 1.00 0.00 C ATOM 1811 C PHE A 120 13.206 76.493 5.133 1.00 0.00 C ATOM 1812 O PHE A 120 12.877 77.302 5.996 1.00 0.00 O ATOM 1813 CB PHE A 120 13.732 74.120 5.707 1.00 0.00 C ATOM 1814 CG PHE A 120 12.744 74.241 6.838 1.00 0.00 C ATOM 1815 CD1 PHE A 120 11.403 74.520 6.563 1.00 0.00 C ATOM 1816 CD2 PHE A 120 13.167 74.072 8.160 1.00 0.00 C ATOM 1817 CE1 PHE A 120 10.481 74.631 7.611 1.00 0.00 C ATOM 1818 CE2 PHE A 120 12.248 74.184 9.207 1.00 0.00 C ATOM 1819 CZ PHE A 120 10.904 74.462 8.932 1.00 0.00 C ATOM 0 H PHE A 120 14.799 76.750 7.005 1.00 0.00 H new ATOM 0 HA PHE A 120 14.953 75.410 4.509 1.00 0.00 H new ATOM 0 HB2 PHE A 120 13.239 73.720 4.821 1.00 0.00 H new ATOM 0 HB3 PHE A 120 14.523 73.420 5.975 1.00 0.00 H new ATOM 0 HD1 PHE A 120 11.077 74.650 5.542 1.00 0.00 H new ATOM 0 HD2 PHE A 120 14.204 73.855 8.372 1.00 0.00 H new ATOM 0 HE1 PHE A 120 9.444 74.847 7.399 1.00 0.00 H new ATOM 0 HE2 PHE A 120 12.575 74.056 10.228 1.00 0.00 H new ATOM 0 HZ PHE A 120 10.194 74.546 9.741 1.00 0.00 H new ATOM 1829 N ALA A 121 12.603 76.420 3.950 1.00 0.00 N ATOM 1830 CA ALA A 121 11.513 77.323 3.601 1.00 0.00 C ATOM 1831 C ALA A 121 11.926 78.773 3.820 1.00 0.00 C ATOM 1832 O ALA A 121 11.080 79.659 3.943 1.00 0.00 O ATOM 1833 CB ALA A 121 10.273 77.009 4.443 1.00 0.00 C ATOM 0 H ALA A 121 12.849 75.749 3.222 1.00 0.00 H new ATOM 0 HA ALA A 121 11.277 77.179 2.547 1.00 0.00 H new ATOM 0 HB1 ALA A 121 9.467 77.691 4.172 1.00 0.00 H new ATOM 0 HB2 ALA A 121 9.958 75.982 4.257 1.00 0.00 H new ATOM 0 HB3 ALA A 121 10.511 77.130 5.500 1.00 0.00 H new ATOM 1839 N GLY A 122 13.232 79.008 3.869 1.00 0.00 N ATOM 1840 CA GLY A 122 13.751 80.357 4.068 1.00 0.00 C ATOM 1841 C GLY A 122 13.644 80.778 5.527 1.00 0.00 C ATOM 1842 O GLY A 122 13.723 81.963 5.847 1.00 0.00 O ATOM 0 H GLY A 122 13.948 78.287 3.774 1.00 0.00 H new ATOM 0 HA2 GLY A 122 14.793 80.399 3.750 1.00 0.00 H new ATOM 0 HA3 GLY A 122 13.198 81.058 3.443 1.00 0.00 H new ATOM 1846 N LYS A 123 13.458 79.804 6.411 1.00 0.00 N ATOM 1847 CA LYS A 123 13.337 80.079 7.840 1.00 0.00 C ATOM 1848 C LYS A 123 14.213 79.126 8.637 1.00 0.00 C ATOM 1849 O LYS A 123 14.532 78.031 8.175 1.00 0.00 O ATOM 1850 CB LYS A 123 11.883 79.934 8.276 1.00 0.00 C ATOM 1851 CG LYS A 123 11.763 80.294 9.759 1.00 0.00 C ATOM 1852 CD LYS A 123 10.283 80.504 10.122 1.00 0.00 C ATOM 1853 CE LYS A 123 9.900 81.969 9.889 1.00 0.00 C ATOM 1854 NZ LYS A 123 10.734 82.841 10.764 1.00 0.00 N1+ ATOM 0 H LYS A 123 13.388 78.817 6.164 1.00 0.00 H new ATOM 0 HA LYS A 123 13.667 81.100 8.029 1.00 0.00 H new ATOM 0 HB2 LYS A 123 11.245 80.586 7.679 1.00 0.00 H new ATOM 0 HB3 LYS A 123 11.541 78.913 8.109 1.00 0.00 H new ATOM 0 HG2 LYS A 123 12.189 79.500 10.372 1.00 0.00 H new ATOM 0 HG3 LYS A 123 12.332 81.199 9.971 1.00 0.00 H new ATOM 0 HD2 LYS A 123 9.653 79.852 9.516 1.00 0.00 H new ATOM 0 HD3 LYS A 123 10.112 80.234 11.164 1.00 0.00 H new ATOM 0 HE2 LYS A 123 10.050 82.234 8.842 1.00 0.00 H new ATOM 0 HE3 LYS A 123 8.843 82.120 10.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 10.171 83.656 11.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 11.052 82.299 11.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 11.562 83.177 10.232 1.00 0.00 H new ATOM 1868 N VAL A 124 14.607 79.551 9.833 1.00 0.00 N ATOM 1869 CA VAL A 124 15.463 78.733 10.693 1.00 0.00 C ATOM 1870 C VAL A 124 14.819 78.514 12.052 1.00 0.00 C ATOM 1871 O VAL A 124 14.362 79.457 12.692 1.00 0.00 O ATOM 1872 CB VAL A 124 16.816 79.426 10.880 1.00 0.00 C ATOM 1873 CG1 VAL A 124 16.597 80.854 11.384 1.00 0.00 C ATOM 1874 CG2 VAL A 124 17.651 78.647 11.897 1.00 0.00 C ATOM 0 H VAL A 124 14.349 80.454 10.230 1.00 0.00 H new ATOM 0 HA VAL A 124 15.603 77.764 10.214 1.00 0.00 H new ATOM 0 HB VAL A 124 17.342 79.457 9.926 1.00 0.00 H new ATOM 0 HG11 VAL A 124 17.561 81.345 11.516 1.00 0.00 H new ATOM 0 HG12 VAL A 124 16.004 81.409 10.658 1.00 0.00 H new ATOM 0 HG13 VAL A 124 16.070 80.826 12.338 1.00 0.00 H new ATOM 0 HG21 VAL A 124 18.614 79.140 12.031 1.00 0.00 H new ATOM 0 HG22 VAL A 124 17.125 78.614 12.851 1.00 0.00 H new ATOM 0 HG23 VAL A 124 17.810 77.631 11.535 1.00 0.00 H new ATOM 1884 N PHE A 125 14.778 77.254 12.485 1.00 0.00 N ATOM 1885 CA PHE A 125 14.189 76.909 13.779 1.00 0.00 C ATOM 1886 C PHE A 125 15.263 76.386 14.725 1.00 0.00 C ATOM 1887 O PHE A 125 16.016 75.464 14.390 1.00 0.00 O ATOM 1888 CB PHE A 125 13.117 75.839 13.590 1.00 0.00 C ATOM 1889 CG PHE A 125 12.072 76.342 12.624 1.00 0.00 C ATOM 1890 CD1 PHE A 125 12.369 76.429 11.260 1.00 0.00 C ATOM 1891 CD2 PHE A 125 10.803 76.714 13.086 1.00 0.00 C ATOM 1892 CE1 PHE A 125 11.403 76.889 10.359 1.00 0.00 C ATOM 1893 CE2 PHE A 125 9.837 77.176 12.184 1.00 0.00 C ATOM 1894 CZ PHE A 125 10.137 77.262 10.822 1.00 0.00 C ATOM 0 H PHE A 125 15.144 76.459 11.962 1.00 0.00 H new ATOM 0 HA PHE A 125 13.740 77.805 14.208 1.00 0.00 H new ATOM 0 HB2 PHE A 125 13.566 74.921 13.211 1.00 0.00 H new ATOM 0 HB3 PHE A 125 12.656 75.597 14.548 1.00 0.00 H new ATOM 0 HD1 PHE A 125 13.346 76.140 10.902 1.00 0.00 H new ATOM 0 HD2 PHE A 125 10.570 76.644 14.138 1.00 0.00 H new ATOM 0 HE1 PHE A 125 11.635 76.956 9.306 1.00 0.00 H new ATOM 0 HE2 PHE A 125 8.860 77.466 12.541 1.00 0.00 H new ATOM 0 HZ PHE A 125 9.391 77.617 10.126 1.00 0.00 H new ATOM 1904 N SER A 126 15.344 76.996 15.903 1.00 0.00 N ATOM 1905 CA SER A 126 16.334 76.597 16.897 1.00 0.00 C ATOM 1906 C SER A 126 15.837 75.390 17.684 1.00 0.00 C ATOM 1907 O SER A 126 14.668 75.323 18.064 1.00 0.00 O ATOM 1908 CB SER A 126 16.614 77.751 17.858 1.00 0.00 C ATOM 1909 OG SER A 126 17.516 77.314 18.866 1.00 0.00 O ATOM 0 H SER A 126 14.739 77.765 16.192 1.00 0.00 H new ATOM 0 HA SER A 126 17.255 76.331 16.377 1.00 0.00 H new ATOM 0 HB2 SER A 126 17.038 78.596 17.316 1.00 0.00 H new ATOM 0 HB3 SER A 126 15.684 78.096 18.310 1.00 0.00 H new ATOM 0 HG SER A 126 17.699 78.053 19.484 1.00 0.00 H new ATOM 1915 N GLY A 127 16.732 74.438 17.930 1.00 0.00 N ATOM 1916 CA GLY A 127 16.378 73.236 18.682 1.00 0.00 C ATOM 1917 C GLY A 127 16.823 73.357 20.133 1.00 0.00 C ATOM 1918 O GLY A 127 17.362 74.385 20.545 1.00 0.00 O ATOM 0 H GLY A 127 17.704 74.474 17.622 1.00 0.00 H new ATOM 0 HA2 GLY A 127 15.300 73.079 18.639 1.00 0.00 H new ATOM 0 HA3 GLY A 127 16.846 72.364 18.225 1.00 0.00 H new ATOM 1922 N GLU A 128 16.592 72.300 20.906 1.00 0.00 N ATOM 1923 CA GLU A 128 16.971 72.299 22.310 1.00 0.00 C ATOM 1924 C GLU A 128 18.469 72.036 22.459 1.00 0.00 C ATOM 1925 O GLU A 128 19.151 71.726 21.483 1.00 0.00 O ATOM 1926 CB GLU A 128 16.168 71.235 23.078 1.00 0.00 C ATOM 1927 CG GLU A 128 16.922 69.901 23.074 1.00 0.00 C ATOM 1928 CD GLU A 128 15.993 68.771 23.475 1.00 0.00 C ATOM 1929 OE1 GLU A 128 14.839 68.809 23.082 1.00 0.00 O ATOM 1930 OE2 GLU A 128 16.450 67.877 24.167 1.00 0.00 O1- ATOM 0 H GLU A 128 16.147 71.440 20.584 1.00 0.00 H new ATOM 0 HA GLU A 128 16.746 73.280 22.729 1.00 0.00 H new ATOM 0 HB2 GLU A 128 16.001 71.564 24.104 1.00 0.00 H new ATOM 0 HB3 GLU A 128 15.187 71.108 22.620 1.00 0.00 H new ATOM 0 HG2 GLU A 128 17.332 69.710 22.082 1.00 0.00 H new ATOM 0 HG3 GLU A 128 17.765 69.950 23.763 1.00 0.00 H new ATOM 1937 N GLU A 129 18.965 72.132 23.688 1.00 0.00 N ATOM 1938 CA GLU A 129 20.380 71.875 23.963 1.00 0.00 C ATOM 1939 C GLU A 129 20.555 70.528 24.665 1.00 0.00 C ATOM 1940 O GLU A 129 19.733 70.132 25.493 1.00 0.00 O ATOM 1941 CB GLU A 129 20.945 72.986 24.844 1.00 0.00 C ATOM 1942 CG GLU A 129 20.998 74.288 24.046 1.00 0.00 C ATOM 1943 CD GLU A 129 21.513 75.419 24.927 1.00 0.00 C ATOM 1944 OE1 GLU A 129 21.839 75.150 26.072 1.00 0.00 O ATOM 1945 OE2 GLU A 129 21.573 76.539 24.447 1.00 0.00 O1- ATOM 0 H GLU A 129 18.414 72.384 24.508 1.00 0.00 H new ATOM 0 HA GLU A 129 20.918 71.850 23.015 1.00 0.00 H new ATOM 0 HB2 GLU A 129 20.323 73.115 25.730 1.00 0.00 H new ATOM 0 HB3 GLU A 129 21.943 72.718 25.191 1.00 0.00 H new ATOM 0 HG2 GLU A 129 21.648 74.167 23.179 1.00 0.00 H new ATOM 0 HG3 GLU A 129 20.005 74.533 23.668 1.00 0.00 H new ATOM 1952 N ALA A 130 21.632 69.829 24.323 1.00 0.00 N ATOM 1953 CA ALA A 130 21.915 68.533 24.922 1.00 0.00 C ATOM 1954 C ALA A 130 23.353 68.112 24.636 1.00 0.00 C ATOM 1955 O ALA A 130 23.956 68.547 23.655 1.00 0.00 O ATOM 1956 CB ALA A 130 20.953 67.481 24.366 1.00 0.00 C ATOM 0 H ALA A 130 22.320 70.138 23.636 1.00 0.00 H new ATOM 0 HA ALA A 130 21.781 68.615 26.001 1.00 0.00 H new ATOM 0 HB1 ALA A 130 21.171 66.514 24.819 1.00 0.00 H new ATOM 0 HB2 ALA A 130 19.927 67.767 24.598 1.00 0.00 H new ATOM 0 HB3 ALA A 130 21.075 67.411 23.285 1.00 0.00 H new ATOM 1962 N LYS A 131 23.892 67.254 25.492 1.00 0.00 N ATOM 1963 CA LYS A 131 25.256 66.762 25.322 1.00 0.00 C ATOM 1964 C LYS A 131 25.300 65.670 24.267 1.00 0.00 C ATOM 1965 O LYS A 131 26.087 64.730 24.367 1.00 0.00 O ATOM 1966 CB LYS A 131 25.794 66.219 26.643 1.00 0.00 C ATOM 1967 CG LYS A 131 26.131 67.381 27.579 1.00 0.00 C ATOM 1968 CD LYS A 131 26.785 66.841 28.855 1.00 0.00 C ATOM 1969 CE LYS A 131 25.742 66.113 29.707 1.00 0.00 C ATOM 1970 NZ LYS A 131 26.283 65.899 31.077 1.00 0.00 N1+ ATOM 0 H LYS A 131 23.408 66.884 26.310 1.00 0.00 H new ATOM 0 HA LYS A 131 25.880 67.595 24.998 1.00 0.00 H new ATOM 0 HB2 LYS A 131 25.054 65.568 27.108 1.00 0.00 H new ATOM 0 HB3 LYS A 131 26.683 65.614 26.464 1.00 0.00 H new ATOM 0 HG2 LYS A 131 26.804 68.079 27.081 1.00 0.00 H new ATOM 0 HG3 LYS A 131 25.226 67.934 27.829 1.00 0.00 H new ATOM 0 HD2 LYS A 131 27.597 66.160 28.598 1.00 0.00 H new ATOM 0 HD3 LYS A 131 27.224 67.661 29.424 1.00 0.00 H new ATOM 0 HE2 LYS A 131 24.823 66.698 29.754 1.00 0.00 H new ATOM 0 HE3 LYS A 131 25.488 65.156 29.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 25.575 65.404 31.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 27.148 65.325 31.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 26.504 66.818 31.510 1.00 0.00 H new ATOM 1984 N THR A 132 24.453 65.800 23.254 1.00 0.00 N ATOM 1985 CA THR A 132 24.404 64.815 22.177 1.00 0.00 C ATOM 1986 C THR A 132 23.907 65.453 20.883 1.00 0.00 C ATOM 1987 O THR A 132 23.052 66.336 20.899 1.00 0.00 O ATOM 1988 CB THR A 132 23.477 63.663 22.574 1.00 0.00 C ATOM 1989 OG1 THR A 132 22.250 64.195 23.047 1.00 0.00 O ATOM 1990 CG2 THR A 132 24.128 62.831 23.680 1.00 0.00 C ATOM 0 H THR A 132 23.794 66.572 23.154 1.00 0.00 H new ATOM 0 HA THR A 132 25.411 64.433 22.010 1.00 0.00 H new ATOM 0 HB THR A 132 23.296 63.028 21.707 1.00 0.00 H new ATOM 0 HG1 THR A 132 22.384 64.587 23.935 1.00 0.00 H new ATOM 0 HG21 THR A 132 23.464 62.013 23.959 1.00 0.00 H new ATOM 0 HG22 THR A 132 25.074 62.425 23.321 1.00 0.00 H new ATOM 0 HG23 THR A 132 24.311 63.462 24.550 1.00 0.00 H new ATOM 1998 N LYS A 133 24.445 64.988 19.761 1.00 0.00 N ATOM 1999 CA LYS A 133 24.045 65.506 18.458 1.00 0.00 C ATOM 2000 C LYS A 133 22.659 65.003 18.075 1.00 0.00 C ATOM 2001 O LYS A 133 21.881 65.717 17.442 1.00 0.00 O ATOM 2002 CB LYS A 133 25.059 65.090 17.390 1.00 0.00 C ATOM 2003 CG LYS A 133 26.360 65.865 17.596 1.00 0.00 C ATOM 2004 CD LYS A 133 27.392 65.418 16.559 1.00 0.00 C ATOM 2005 CE LYS A 133 28.697 66.188 16.767 1.00 0.00 C ATOM 2006 NZ LYS A 133 29.707 65.735 15.769 1.00 0.00 N1+ ATOM 0 H LYS A 133 25.156 64.257 19.727 1.00 0.00 H new ATOM 0 HA LYS A 133 24.014 66.594 18.521 1.00 0.00 H new ATOM 0 HB2 LYS A 133 25.248 64.018 17.450 1.00 0.00 H new ATOM 0 HB3 LYS A 133 24.658 65.288 16.396 1.00 0.00 H new ATOM 0 HG2 LYS A 133 26.176 66.935 17.503 1.00 0.00 H new ATOM 0 HG3 LYS A 133 26.742 65.693 18.602 1.00 0.00 H new ATOM 0 HD2 LYS A 133 27.572 64.347 16.649 1.00 0.00 H new ATOM 0 HD3 LYS A 133 27.011 65.594 15.553 1.00 0.00 H new ATOM 0 HE2 LYS A 133 28.521 67.258 16.661 1.00 0.00 H new ATOM 0 HE3 LYS A 133 29.071 66.025 17.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 30.594 66.259 15.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 29.883 64.717 15.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 29.350 65.913 14.809 1.00 0.00 H new ATOM 2020 N LYS A 134 22.363 63.762 18.446 1.00 0.00 N ATOM 2021 CA LYS A 134 21.075 63.166 18.114 1.00 0.00 C ATOM 2022 C LYS A 134 19.938 63.988 18.699 1.00 0.00 C ATOM 2023 O LYS A 134 18.995 64.340 17.993 1.00 0.00 O ATOM 2024 CB LYS A 134 21.010 61.742 18.673 1.00 0.00 C ATOM 2025 CG LYS A 134 22.226 60.939 18.197 1.00 0.00 C ATOM 2026 CD LYS A 134 22.165 60.749 16.679 1.00 0.00 C ATOM 2027 CE LYS A 134 23.127 59.639 16.264 1.00 0.00 C ATOM 2028 NZ LYS A 134 23.007 59.407 14.796 1.00 0.00 N1+ ATOM 0 H LYS A 134 22.991 63.154 18.972 1.00 0.00 H new ATOM 0 HA LYS A 134 20.972 63.144 17.029 1.00 0.00 H new ATOM 0 HB2 LYS A 134 20.986 61.770 19.762 1.00 0.00 H new ATOM 0 HB3 LYS A 134 20.091 61.255 18.346 1.00 0.00 H new ATOM 0 HG2 LYS A 134 23.145 61.458 18.470 1.00 0.00 H new ATOM 0 HG3 LYS A 134 22.248 59.969 18.693 1.00 0.00 H new ATOM 0 HD2 LYS A 134 21.149 60.497 16.374 1.00 0.00 H new ATOM 0 HD3 LYS A 134 22.427 61.679 16.175 1.00 0.00 H new ATOM 0 HE2 LYS A 134 24.150 59.915 16.518 1.00 0.00 H new ATOM 0 HE3 LYS A 134 22.900 58.723 16.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 23.661 58.651 14.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 22.032 59.126 14.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 23.244 60.282 14.286 1.00 0.00 H new ATOM 2042 N LEU A 135 20.029 64.296 19.987 1.00 0.00 N ATOM 2043 CA LEU A 135 18.992 65.078 20.645 1.00 0.00 C ATOM 2044 C LEU A 135 18.900 66.467 20.027 1.00 0.00 C ATOM 2045 O LEU A 135 17.807 66.982 19.803 1.00 0.00 O ATOM 2046 CB LEU A 135 19.314 65.207 22.139 1.00 0.00 C ATOM 2047 CG LEU A 135 18.881 63.935 22.873 1.00 0.00 C ATOM 2048 CD1 LEU A 135 19.536 62.717 22.214 1.00 0.00 C ATOM 2049 CD2 LEU A 135 19.314 64.022 24.340 1.00 0.00 C ATOM 0 H LEU A 135 20.803 64.019 20.591 1.00 0.00 H new ATOM 0 HA LEU A 135 18.037 64.569 20.516 1.00 0.00 H new ATOM 0 HB2 LEU A 135 20.382 65.372 22.277 1.00 0.00 H new ATOM 0 HB3 LEU A 135 18.801 66.073 22.558 1.00 0.00 H new ATOM 0 HG LEU A 135 17.797 63.834 22.821 1.00 0.00 H new ATOM 0 HD11 LEU A 135 19.228 61.811 22.736 1.00 0.00 H new ATOM 0 HD12 LEU A 135 19.226 62.657 21.171 1.00 0.00 H new ATOM 0 HD13 LEU A 135 20.620 62.815 22.266 1.00 0.00 H new ATOM 0 HD21 LEU A 135 19.007 63.117 24.864 1.00 0.00 H new ATOM 0 HD22 LEU A 135 20.398 64.122 24.394 1.00 0.00 H new ATOM 0 HD23 LEU A 135 18.846 64.889 24.807 1.00 0.00 H new ATOM 2061 N ALA A 136 20.052 67.075 19.765 1.00 0.00 N ATOM 2062 CA ALA A 136 20.072 68.414 19.190 1.00 0.00 C ATOM 2063 C ALA A 136 19.321 68.443 17.865 1.00 0.00 C ATOM 2064 O ALA A 136 18.374 69.212 17.697 1.00 0.00 O ATOM 2065 CB ALA A 136 21.520 68.853 18.958 1.00 0.00 C ATOM 0 H ALA A 136 20.971 66.669 19.939 1.00 0.00 H new ATOM 0 HA ALA A 136 19.584 69.095 19.887 1.00 0.00 H new ATOM 0 HB1 ALA A 136 21.532 69.855 18.528 1.00 0.00 H new ATOM 0 HB2 ALA A 136 22.055 68.859 19.908 1.00 0.00 H new ATOM 0 HB3 ALA A 136 22.006 68.158 18.273 1.00 0.00 H new ATOM 2071 N GLU A 137 19.744 67.605 16.926 1.00 0.00 N ATOM 2072 CA GLU A 137 19.104 67.556 15.618 1.00 0.00 C ATOM 2073 C GLU A 137 17.633 67.180 15.756 1.00 0.00 C ATOM 2074 O GLU A 137 16.765 67.786 15.127 1.00 0.00 O ATOM 2075 CB GLU A 137 19.812 66.526 14.735 1.00 0.00 C ATOM 2076 CG GLU A 137 21.241 66.992 14.442 1.00 0.00 C ATOM 2077 CD GLU A 137 21.991 65.918 13.662 1.00 0.00 C ATOM 2078 OE1 GLU A 137 21.386 64.904 13.355 1.00 0.00 O ATOM 2079 OE2 GLU A 137 23.162 66.125 13.386 1.00 0.00 O1- ATOM 0 H GLU A 137 20.521 66.955 17.045 1.00 0.00 H new ATOM 0 HA GLU A 137 19.174 68.543 15.160 1.00 0.00 H new ATOM 0 HB2 GLU A 137 19.830 65.557 15.233 1.00 0.00 H new ATOM 0 HB3 GLU A 137 19.264 66.394 13.802 1.00 0.00 H new ATOM 0 HG2 GLU A 137 21.220 67.920 13.870 1.00 0.00 H new ATOM 0 HG3 GLU A 137 21.761 67.205 15.376 1.00 0.00 H new ATOM 2086 N MET A 138 17.360 66.170 16.575 1.00 0.00 N ATOM 2087 CA MET A 138 15.989 65.716 16.769 1.00 0.00 C ATOM 2088 C MET A 138 15.128 66.847 17.315 1.00 0.00 C ATOM 2089 O MET A 138 14.026 67.087 16.822 1.00 0.00 O ATOM 2090 CB MET A 138 15.974 64.537 17.752 1.00 0.00 C ATOM 2091 CG MET A 138 16.436 63.264 17.039 1.00 0.00 C ATOM 2092 SD MET A 138 15.186 62.758 15.831 1.00 0.00 S ATOM 2093 CE MET A 138 13.893 62.289 17.009 1.00 0.00 C ATOM 0 H MET A 138 18.061 65.656 17.109 1.00 0.00 H new ATOM 0 HA MET A 138 15.583 65.398 15.808 1.00 0.00 H new ATOM 0 HB2 MET A 138 16.627 64.749 18.598 1.00 0.00 H new ATOM 0 HB3 MET A 138 14.970 64.397 18.152 1.00 0.00 H new ATOM 0 HG2 MET A 138 17.389 63.440 16.540 1.00 0.00 H new ATOM 0 HG3 MET A 138 16.599 62.467 17.765 1.00 0.00 H new ATOM 0 HE1 MET A 138 13.304 61.471 16.596 1.00 0.00 H new ATOM 0 HE2 MET A 138 14.352 61.969 17.945 1.00 0.00 H new ATOM 0 HE3 MET A 138 13.244 63.145 17.197 1.00 0.00 H new ATOM 2103 N SER A 139 15.623 67.535 18.336 1.00 0.00 N ATOM 2104 CA SER A 139 14.882 68.633 18.937 1.00 0.00 C ATOM 2105 C SER A 139 14.603 69.714 17.907 1.00 0.00 C ATOM 2106 O SER A 139 13.524 70.302 17.894 1.00 0.00 O ATOM 2107 CB SER A 139 15.681 69.224 20.101 1.00 0.00 C ATOM 2108 OG SER A 139 16.066 68.168 20.973 1.00 0.00 O ATOM 0 H SER A 139 16.531 67.352 18.763 1.00 0.00 H new ATOM 0 HA SER A 139 13.932 68.249 19.308 1.00 0.00 H new ATOM 0 HB2 SER A 139 16.562 69.746 19.728 1.00 0.00 H new ATOM 0 HB3 SER A 139 15.080 69.957 20.638 1.00 0.00 H new ATOM 0 HG SER A 139 16.982 67.888 20.764 1.00 0.00 H new ATOM 2114 N ALA A 140 15.586 69.981 17.052 1.00 0.00 N ATOM 2115 CA ALA A 140 15.437 71.005 16.023 1.00 0.00 C ATOM 2116 C ALA A 140 14.392 70.591 14.991 1.00 0.00 C ATOM 2117 O ALA A 140 13.493 71.360 14.655 1.00 0.00 O ATOM 2118 CB ALA A 140 16.778 71.242 15.327 1.00 0.00 C ATOM 0 H ALA A 140 16.489 69.506 17.051 1.00 0.00 H new ATOM 0 HA ALA A 140 15.106 71.926 16.503 1.00 0.00 H new ATOM 0 HB1 ALA A 140 16.660 72.007 14.560 1.00 0.00 H new ATOM 0 HB2 ALA A 140 17.515 71.573 16.059 1.00 0.00 H new ATOM 0 HB3 ALA A 140 17.117 70.315 14.865 1.00 0.00 H new ATOM 2124 N ALA A 141 14.519 69.372 14.492 1.00 0.00 N ATOM 2125 CA ALA A 141 13.580 68.863 13.502 1.00 0.00 C ATOM 2126 C ALA A 141 12.196 68.693 14.115 1.00 0.00 C ATOM 2127 O ALA A 141 11.190 68.706 13.404 1.00 0.00 O ATOM 2128 CB ALA A 141 14.063 67.516 12.962 1.00 0.00 C ATOM 0 H ALA A 141 15.258 68.719 14.753 1.00 0.00 H new ATOM 0 HA ALA A 141 13.522 69.583 12.686 1.00 0.00 H new ATOM 0 HB1 ALA A 141 13.353 67.145 12.223 1.00 0.00 H new ATOM 0 HB2 ALA A 141 15.041 67.640 12.496 1.00 0.00 H new ATOM 0 HB3 ALA A 141 14.140 66.802 13.782 1.00 0.00 H new ATOM 2134 N LYS A 142 12.149 68.531 15.436 1.00 0.00 N ATOM 2135 CA LYS A 142 10.878 68.356 16.126 1.00 0.00 C ATOM 2136 C LYS A 142 10.079 69.654 16.159 1.00 0.00 C ATOM 2137 O LYS A 142 8.897 69.678 15.817 1.00 0.00 O ATOM 2138 CB LYS A 142 11.134 67.880 17.559 1.00 0.00 C ATOM 2139 CG LYS A 142 9.804 67.531 18.229 1.00 0.00 C ATOM 2140 CD LYS A 142 10.065 66.994 19.637 1.00 0.00 C ATOM 2141 CE LYS A 142 8.735 66.639 20.303 1.00 0.00 C ATOM 2142 NZ LYS A 142 8.071 65.546 19.538 1.00 0.00 N1+ ATOM 0 H LYS A 142 12.969 68.518 16.043 1.00 0.00 H new ATOM 0 HA LYS A 142 10.297 67.612 15.581 1.00 0.00 H new ATOM 0 HB2 LYS A 142 11.789 67.009 17.552 1.00 0.00 H new ATOM 0 HB3 LYS A 142 11.645 68.658 18.126 1.00 0.00 H new ATOM 0 HG2 LYS A 142 9.167 68.414 18.278 1.00 0.00 H new ATOM 0 HG3 LYS A 142 9.272 66.786 17.638 1.00 0.00 H new ATOM 0 HD2 LYS A 142 10.706 66.114 19.589 1.00 0.00 H new ATOM 0 HD3 LYS A 142 10.593 67.741 20.230 1.00 0.00 H new ATOM 0 HE2 LYS A 142 8.904 66.325 21.333 1.00 0.00 H new ATOM 0 HE3 LYS A 142 8.089 67.516 20.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 7.368 65.076 20.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 7.597 65.945 18.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 8.784 64.853 19.233 1.00 0.00 H new ATOM 2156 N VAL A 143 10.732 70.733 16.583 1.00 0.00 N ATOM 2157 CA VAL A 143 10.074 72.029 16.669 1.00 0.00 C ATOM 2158 C VAL A 143 9.731 72.554 15.286 1.00 0.00 C ATOM 2159 O VAL A 143 8.702 73.205 15.101 1.00 0.00 O ATOM 2160 CB VAL A 143 10.976 73.032 17.394 1.00 0.00 C ATOM 2161 CG1 VAL A 143 12.328 73.107 16.686 1.00 0.00 C ATOM 2162 CG2 VAL A 143 10.322 74.416 17.380 1.00 0.00 C ATOM 0 H VAL A 143 11.711 70.734 16.870 1.00 0.00 H new ATOM 0 HA VAL A 143 9.149 71.904 17.232 1.00 0.00 H new ATOM 0 HB VAL A 143 11.119 72.707 18.425 1.00 0.00 H new ATOM 0 HG11 VAL A 143 12.970 73.821 17.202 1.00 0.00 H new ATOM 0 HG12 VAL A 143 12.798 72.124 16.695 1.00 0.00 H new ATOM 0 HG13 VAL A 143 12.182 73.430 15.655 1.00 0.00 H new ATOM 0 HG21 VAL A 143 10.966 75.128 17.897 1.00 0.00 H new ATOM 0 HG22 VAL A 143 10.177 74.739 16.349 1.00 0.00 H new ATOM 0 HG23 VAL A 143 9.357 74.367 17.884 1.00 0.00 H new ATOM 2172 N ALA A 144 10.600 72.286 14.317 1.00 0.00 N ATOM 2173 CA ALA A 144 10.381 72.758 12.963 1.00 0.00 C ATOM 2174 C ALA A 144 9.088 72.199 12.388 1.00 0.00 C ATOM 2175 O ALA A 144 8.233 72.948 11.929 1.00 0.00 O ATOM 2176 CB ALA A 144 11.551 72.323 12.077 1.00 0.00 C ATOM 0 H ALA A 144 11.456 71.747 14.447 1.00 0.00 H new ATOM 0 HA ALA A 144 10.308 73.845 12.989 1.00 0.00 H new ATOM 0 HB1 ALA A 144 11.388 72.677 11.059 1.00 0.00 H new ATOM 0 HB2 ALA A 144 12.478 72.746 12.464 1.00 0.00 H new ATOM 0 HB3 ALA A 144 11.622 71.235 12.076 1.00 0.00 H new ATOM 2182 N PHE A 145 8.956 70.878 12.412 1.00 0.00 N ATOM 2183 CA PHE A 145 7.770 70.238 11.863 1.00 0.00 C ATOM 2184 C PHE A 145 6.507 70.771 12.525 1.00 0.00 C ATOM 2185 O PHE A 145 5.568 71.181 11.843 1.00 0.00 O ATOM 2186 CB PHE A 145 7.852 68.723 12.078 1.00 0.00 C ATOM 2187 CG PHE A 145 6.933 68.020 11.105 1.00 0.00 C ATOM 2188 CD1 PHE A 145 7.350 67.802 9.788 1.00 0.00 C ATOM 2189 CD2 PHE A 145 5.668 67.588 11.522 1.00 0.00 C ATOM 2190 CE1 PHE A 145 6.502 67.153 8.884 1.00 0.00 C ATOM 2191 CE2 PHE A 145 4.820 66.937 10.618 1.00 0.00 C ATOM 2192 CZ PHE A 145 5.236 66.720 9.299 1.00 0.00 C ATOM 0 H PHE A 145 9.647 70.237 12.801 1.00 0.00 H new ATOM 0 HA PHE A 145 7.726 70.460 10.797 1.00 0.00 H new ATOM 0 HB2 PHE A 145 8.877 68.381 11.937 1.00 0.00 H new ATOM 0 HB3 PHE A 145 7.571 68.476 13.102 1.00 0.00 H new ATOM 0 HD1 PHE A 145 8.327 68.135 9.469 1.00 0.00 H new ATOM 0 HD2 PHE A 145 5.347 67.757 12.539 1.00 0.00 H new ATOM 0 HE1 PHE A 145 6.823 66.986 7.867 1.00 0.00 H new ATOM 0 HE2 PHE A 145 3.844 66.602 10.938 1.00 0.00 H new ATOM 0 HZ PHE A 145 4.581 66.219 8.602 1.00 0.00 H new ATOM 2202 N MET A 146 6.485 70.764 13.853 1.00 0.00 N ATOM 2203 CA MET A 146 5.324 71.246 14.585 1.00 0.00 C ATOM 2204 C MET A 146 5.007 72.687 14.206 1.00 0.00 C ATOM 2205 O MET A 146 3.844 73.047 14.021 1.00 0.00 O ATOM 2206 CB MET A 146 5.582 71.157 16.090 1.00 0.00 C ATOM 2207 CG MET A 146 6.016 69.735 16.451 1.00 0.00 C ATOM 2208 SD MET A 146 4.851 69.034 17.646 1.00 0.00 S ATOM 2209 CE MET A 146 4.764 67.374 16.932 1.00 0.00 C ATOM 0 H MET A 146 7.251 70.433 14.439 1.00 0.00 H new ATOM 0 HA MET A 146 4.471 70.620 14.324 1.00 0.00 H new ATOM 0 HB2 MET A 146 6.355 71.869 16.380 1.00 0.00 H new ATOM 0 HB3 MET A 146 4.680 71.424 16.641 1.00 0.00 H new ATOM 0 HG2 MET A 146 6.051 69.115 15.555 1.00 0.00 H new ATOM 0 HG3 MET A 146 7.022 69.746 16.871 1.00 0.00 H new ATOM 0 HE1 MET A 146 4.086 66.759 17.524 1.00 0.00 H new ATOM 0 HE2 MET A 146 4.396 67.437 15.908 1.00 0.00 H new ATOM 0 HE3 MET A 146 5.757 66.925 16.934 1.00 0.00 H new ATOM 2219 N SER A 147 6.046 73.510 14.101 1.00 0.00 N ATOM 2220 CA SER A 147 5.862 74.912 13.756 1.00 0.00 C ATOM 2221 C SER A 147 5.203 75.048 12.387 1.00 0.00 C ATOM 2222 O SER A 147 4.342 75.904 12.185 1.00 0.00 O ATOM 2223 CB SER A 147 7.210 75.626 13.742 1.00 0.00 C ATOM 2224 OG SER A 147 7.940 75.229 12.588 1.00 0.00 O ATOM 0 H SER A 147 7.016 73.232 14.249 1.00 0.00 H new ATOM 0 HA SER A 147 5.215 75.367 14.506 1.00 0.00 H new ATOM 0 HB2 SER A 147 7.062 76.706 13.739 1.00 0.00 H new ATOM 0 HB3 SER A 147 7.772 75.383 14.644 1.00 0.00 H new ATOM 0 HG SER A 147 8.841 75.612 12.623 1.00 0.00 H new ATOM 2230 N ILE A 148 5.611 74.198 11.455 1.00 0.00 N ATOM 2231 CA ILE A 148 5.054 74.230 10.109 1.00 0.00 C ATOM 2232 C ILE A 148 3.554 73.961 10.145 1.00 0.00 C ATOM 2233 O ILE A 148 2.784 74.608 9.435 1.00 0.00 O ATOM 2234 CB ILE A 148 5.741 73.183 9.225 1.00 0.00 C ATOM 2235 CG1 ILE A 148 7.190 73.603 8.966 1.00 0.00 C ATOM 2236 CG2 ILE A 148 4.998 73.061 7.889 1.00 0.00 C ATOM 2237 CD1 ILE A 148 7.946 72.458 8.282 1.00 0.00 C ATOM 0 H ILE A 148 6.322 73.482 11.604 1.00 0.00 H new ATOM 0 HA ILE A 148 5.227 75.222 9.692 1.00 0.00 H new ATOM 0 HB ILE A 148 5.726 72.219 9.734 1.00 0.00 H new ATOM 0 HG12 ILE A 148 7.214 74.494 8.338 1.00 0.00 H new ATOM 0 HG13 ILE A 148 7.677 73.863 9.906 1.00 0.00 H new ATOM 0 HG21 ILE A 148 5.491 72.315 7.265 1.00 0.00 H new ATOM 0 HG22 ILE A 148 3.968 72.757 8.072 1.00 0.00 H new ATOM 0 HG23 ILE A 148 5.007 74.024 7.379 1.00 0.00 H new ATOM 0 HD11 ILE A 148 8.977 72.761 8.099 1.00 0.00 H new ATOM 0 HD12 ILE A 148 7.935 71.579 8.926 1.00 0.00 H new ATOM 0 HD13 ILE A 148 7.464 72.219 7.334 1.00 0.00 H new