USER MOD reduce.3.24.130724 H: found=0, std=0, add=1079, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1079 hydrogens (27 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 109 ASN : amide:sc= 0.557 K(o=1.2,f=-1.1) USER MOD Set 1.2: A 112 LYS NZ :NH3+ -179:sc= 0.616 (180deg=0) USER MOD Set 2.1: A 29 TYR OH : rot -30:sc= 0.105 USER MOD Set 2.2: A 97 THR OG1 : rot 109:sc= 1.63 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 145:sc= -0.515 (180deg=-0.909) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0589) USER MOD Single : A 28 GLN : amide:sc= 0.459 K(o=0.46,f=1.1) USER MOD Single : A 30 LYS NZ :NH3+ -161:sc= 0.5 (180deg=0.323) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= 0.103 K(o=0.1,f=-5.2!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.426 USER MOD Single : A 54 SER OG : rot 180:sc=-0.00528 USER MOD Single : A 57 CYS SG : rot 130:sc= -0.598 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= -0.0381 K(o=-0.038,f=-1.8!) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.877 K(o=-0.88,f=-4.3!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 150:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -1.98 K(o=-2,f=-0.99) USER MOD Single : A 81 THR OG1 : rot 43:sc= 0.958 USER MOD Single : A 86 TYR OH : rot 180:sc= -0.732 USER MOD Single : A 87 CYS SG : rot -77:sc= 1.08 USER MOD Single : A 89 HIS : no HE2:sc= -2.11! C(o=-2.1!,f=-3.4!) USER MOD Single : A 90 GLN : amide:sc= -2.74 X(o=-2.7,f=-2.7!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= -0.27 X(o=-0.27,f=-0.29) USER MOD Single : A 110 LYS NZ :NH3+ 155:sc= -0.0515 (180deg=-0.378) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 122 THR OG1 : rot -156:sc= 0.27 USER MOD Single : A 124 ASN : amide:sc= -0.0594 K(o=-0.059,f=-2.2!) USER MOD Single : A 125 ASN : amide:sc= -0.0186 X(o=-0.019,f=0) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 GLN : amide:sc= -0.767 X(o=-0.77,f=-0.61) USER MOD Single : A 131 ASN : amide:sc= -0.254 X(o=-0.25,f=0) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 9.306 13.693 -0.638 1.00 44.21 N ATOM 2 CA GLY A 2 10.124 14.825 -1.032 1.00 63.24 C ATOM 3 C GLY A 2 10.935 14.547 -2.282 1.00 63.32 C ATOM 4 O GLY A 2 11.765 15.361 -2.686 1.00 61.20 O ATOM 0 HA2 GLY A 2 9.483 15.690 -1.203 1.00 63.24 H new ATOM 0 HA3 GLY A 2 10.798 15.084 -0.215 1.00 63.24 H new ATOM 8 N ALA A 3 10.697 13.392 -2.896 1.00 32.45 N ATOM 9 CA ALA A 3 11.412 13.008 -4.108 1.00 14.04 C ATOM 10 C ALA A 3 10.603 13.355 -5.354 1.00 21.30 C ATOM 11 O ALA A 3 9.565 14.010 -5.270 1.00 1.34 O ATOM 12 CB ALA A 3 11.734 11.522 -4.081 1.00 41.21 C ATOM 0 H ALA A 3 10.014 12.706 -2.574 1.00 32.45 H new ATOM 0 HA ALA A 3 12.346 13.570 -4.145 1.00 14.04 H new ATOM 0 HB1 ALA A 3 12.268 11.249 -4.991 1.00 41.21 H new ATOM 0 HB2 ALA A 3 12.357 11.300 -3.215 1.00 41.21 H new ATOM 0 HB3 ALA A 3 10.808 10.950 -4.018 1.00 41.21 H new ATOM 18 N ARG A 4 11.087 12.910 -6.509 1.00 61.11 N ATOM 19 CA ARG A 4 10.411 13.175 -7.773 1.00 60.11 C ATOM 20 C ARG A 4 8.943 12.763 -7.700 1.00 64.21 C ATOM 21 O ARG A 4 8.051 13.611 -7.670 1.00 64.22 O ATOM 22 CB ARG A 4 11.105 12.428 -8.913 1.00 61.25 C ATOM 23 CG ARG A 4 12.506 12.938 -9.211 1.00 51.12 C ATOM 24 CD ARG A 4 12.513 13.882 -10.403 1.00 31.22 C ATOM 25 NE ARG A 4 13.144 15.161 -10.085 1.00 61.24 N ATOM 26 CZ ARG A 4 14.458 15.348 -10.073 1.00 41.20 C ATOM 27 NH1 ARG A 4 15.277 14.347 -10.361 1.00 22.02 N ATOM 28 NH2 ARG A 4 14.956 16.541 -9.774 1.00 2.52 N ATOM 0 H ARG A 4 11.945 12.364 -6.595 1.00 61.11 H new ATOM 0 HA ARG A 4 10.461 14.247 -7.966 1.00 60.11 H new ATOM 0 HB2 ARG A 4 11.159 11.369 -8.662 1.00 61.25 H new ATOM 0 HB3 ARG A 4 10.498 12.512 -9.814 1.00 61.25 H new ATOM 0 HG2 ARG A 4 12.901 13.453 -8.335 1.00 51.12 H new ATOM 0 HG3 ARG A 4 13.167 12.094 -9.410 1.00 51.12 H new ATOM 0 HD2 ARG A 4 13.042 13.414 -11.233 1.00 31.22 H new ATOM 0 HD3 ARG A 4 11.489 14.055 -10.734 1.00 31.22 H new ATOM 0 HE ARG A 4 12.542 15.953 -9.860 1.00 61.24 H new ATOM 0 HH11 ARG A 4 14.898 13.429 -10.593 1.00 22.02 H new ATOM 0 HH12 ARG A 4 16.286 14.495 -10.351 1.00 22.02 H new ATOM 0 HH21 ARG A 4 14.329 17.315 -9.553 1.00 2.52 H new ATOM 0 HH22 ARG A 4 15.966 16.684 -9.765 1.00 2.52 H new ATOM 42 N ALA A 5 8.701 11.456 -7.674 1.00 70.14 N ATOM 43 CA ALA A 5 7.342 10.932 -7.604 1.00 1.12 C ATOM 44 C ALA A 5 7.318 9.555 -6.951 1.00 22.33 C ATOM 45 O ALA A 5 8.302 8.816 -7.003 1.00 73.33 O ATOM 46 CB ALA A 5 6.728 10.871 -8.995 1.00 64.31 C ATOM 0 H ALA A 5 9.428 10.741 -7.700 1.00 70.14 H new ATOM 0 HA ALA A 5 6.749 11.607 -6.987 1.00 1.12 H new ATOM 0 HB1 ALA A 5 5.714 10.478 -8.928 1.00 64.31 H new ATOM 0 HB2 ALA A 5 6.702 11.872 -9.425 1.00 64.31 H new ATOM 0 HB3 ALA A 5 7.328 10.219 -9.629 1.00 64.31 H new ATOM 52 N SER A 6 6.190 9.216 -6.336 1.00 1.32 N ATOM 53 CA SER A 6 6.040 7.928 -5.669 1.00 11.54 C ATOM 54 C SER A 6 7.108 7.744 -4.595 1.00 44.12 C ATOM 55 O SER A 6 7.930 8.632 -4.363 1.00 64.04 O ATOM 56 CB SER A 6 6.123 6.789 -6.687 1.00 70.05 C ATOM 57 OG SER A 6 5.158 5.788 -6.412 1.00 51.53 O ATOM 0 H SER A 6 5.366 9.815 -6.286 1.00 1.32 H new ATOM 0 HA SER A 6 5.061 7.907 -5.190 1.00 11.54 H new ATOM 0 HB2 SER A 6 5.967 7.183 -7.691 1.00 70.05 H new ATOM 0 HB3 SER A 6 7.121 6.352 -6.667 1.00 70.05 H new ATOM 0 HG SER A 6 5.230 5.072 -7.077 1.00 51.53 H new ATOM 63 N ARG A 7 7.090 6.587 -3.944 1.00 23.23 N ATOM 64 CA ARG A 7 8.056 6.286 -2.893 1.00 52.33 C ATOM 65 C ARG A 7 8.626 4.881 -3.065 1.00 3.22 C ATOM 66 O ARG A 7 9.826 4.662 -2.897 1.00 22.33 O ATOM 67 CB ARG A 7 7.403 6.418 -1.516 1.00 52.12 C ATOM 68 CG ARG A 7 8.361 6.874 -0.428 1.00 53.15 C ATOM 69 CD ARG A 7 8.889 8.274 -0.703 1.00 31.12 C ATOM 70 NE ARG A 7 10.339 8.352 -0.550 1.00 34.11 N ATOM 71 CZ ARG A 7 10.948 8.504 0.621 1.00 61.34 C ATOM 72 NH1 ARG A 7 10.236 8.594 1.735 1.00 32.13 N ATOM 73 NH2 ARG A 7 12.272 8.566 0.679 1.00 42.14 N ATOM 0 H ARG A 7 6.418 5.842 -4.125 1.00 23.23 H new ATOM 0 HA ARG A 7 8.873 7.003 -2.970 1.00 52.33 H new ATOM 0 HB2 ARG A 7 6.577 7.127 -1.581 1.00 52.12 H new ATOM 0 HB3 ARG A 7 6.976 5.456 -1.232 1.00 52.12 H new ATOM 0 HG2 ARG A 7 7.853 6.858 0.536 1.00 53.15 H new ATOM 0 HG3 ARG A 7 9.195 6.176 -0.360 1.00 53.15 H new ATOM 0 HD2 ARG A 7 8.615 8.573 -1.715 1.00 31.12 H new ATOM 0 HD3 ARG A 7 8.414 8.981 -0.022 1.00 31.12 H new ATOM 0 HE ARG A 7 10.916 8.286 -1.388 1.00 34.11 H new ATOM 0 HH11 ARG A 7 9.218 8.547 1.695 1.00 32.13 H new ATOM 0 HH12 ARG A 7 10.706 8.711 2.633 1.00 32.13 H new ATOM 0 HH21 ARG A 7 12.824 8.497 -0.176 1.00 42.14 H new ATOM 0 HH22 ARG A 7 12.738 8.683 1.579 1.00 42.14 H new ATOM 87 N LEU A 8 7.758 3.933 -3.400 1.00 72.33 N ATOM 88 CA LEU A 8 8.174 2.548 -3.595 1.00 44.30 C ATOM 89 C LEU A 8 8.827 2.363 -4.961 1.00 64.01 C ATOM 90 O LEU A 8 9.043 3.328 -5.693 1.00 52.13 O ATOM 91 CB LEU A 8 6.974 1.610 -3.459 1.00 50.32 C ATOM 92 CG LEU A 8 6.095 1.820 -2.226 1.00 12.04 C ATOM 93 CD1 LEU A 8 5.025 0.742 -2.143 1.00 33.21 C ATOM 94 CD2 LEU A 8 6.942 1.830 -0.962 1.00 3.44 C ATOM 0 H LEU A 8 6.762 4.098 -3.542 1.00 72.33 H new ATOM 0 HA LEU A 8 8.907 2.303 -2.826 1.00 44.30 H new ATOM 0 HB2 LEU A 8 6.351 1.718 -4.347 1.00 50.32 H new ATOM 0 HB3 LEU A 8 7.340 0.583 -3.449 1.00 50.32 H new ATOM 0 HG LEU A 8 5.601 2.788 -2.317 1.00 12.04 H new ATOM 0 HD11 LEU A 8 4.409 0.908 -1.259 1.00 33.21 H new ATOM 0 HD12 LEU A 8 4.399 0.782 -3.034 1.00 33.21 H new ATOM 0 HD13 LEU A 8 5.499 -0.237 -2.076 1.00 33.21 H new ATOM 0 HD21 LEU A 8 6.299 1.981 -0.095 1.00 3.44 H new ATOM 0 HD22 LEU A 8 7.464 0.878 -0.866 1.00 3.44 H new ATOM 0 HD23 LEU A 8 7.671 2.639 -1.019 1.00 3.44 H new ATOM 106 N SER A 9 9.138 1.115 -5.298 1.00 31.23 N ATOM 107 CA SER A 9 9.767 0.802 -6.576 1.00 3.34 C ATOM 108 C SER A 9 9.514 -0.651 -6.965 1.00 11.45 C ATOM 109 O SER A 9 8.780 -1.368 -6.286 1.00 61.24 O ATOM 110 CB SER A 9 11.272 1.068 -6.505 1.00 1.54 C ATOM 111 OG SER A 9 11.704 1.852 -7.603 1.00 50.25 O ATOM 0 H SER A 9 8.965 0.304 -4.704 1.00 31.23 H new ATOM 0 HA SER A 9 9.326 1.445 -7.337 1.00 3.34 H new ATOM 0 HB2 SER A 9 11.510 1.580 -5.573 1.00 1.54 H new ATOM 0 HB3 SER A 9 11.812 0.121 -6.496 1.00 1.54 H new ATOM 0 HG SER A 9 12.669 2.009 -7.533 1.00 50.25 H new ATOM 117 N GLY A 10 10.128 -1.078 -8.063 1.00 63.43 N ATOM 118 CA GLY A 10 9.958 -2.444 -8.526 1.00 2.44 C ATOM 119 C GLY A 10 10.128 -3.458 -7.413 1.00 10.22 C ATOM 120 O GLY A 10 9.349 -4.405 -7.301 1.00 42.54 O ATOM 0 H GLY A 10 10.741 -0.503 -8.641 1.00 63.43 H new ATOM 0 HA2 GLY A 10 8.967 -2.555 -8.966 1.00 2.44 H new ATOM 0 HA3 GLY A 10 10.682 -2.650 -9.315 1.00 2.44 H new ATOM 124 N GLY A 11 11.151 -3.262 -6.585 1.00 52.44 N ATOM 125 CA GLY A 11 11.404 -4.176 -5.488 1.00 15.02 C ATOM 126 C GLY A 11 10.210 -4.315 -4.563 1.00 42.20 C ATOM 127 O GLY A 11 9.692 -5.414 -4.369 1.00 61.10 O ATOM 0 H GLY A 11 11.809 -2.486 -6.656 1.00 52.44 H new ATOM 0 HA2 GLY A 11 11.666 -5.155 -5.888 1.00 15.02 H new ATOM 0 HA3 GLY A 11 12.263 -3.825 -4.917 1.00 15.02 H new ATOM 131 N GLU A 12 9.773 -3.197 -3.990 1.00 24.52 N ATOM 132 CA GLU A 12 8.635 -3.202 -3.079 1.00 40.41 C ATOM 133 C GLU A 12 7.354 -3.588 -3.810 1.00 72.13 C ATOM 134 O GLU A 12 6.394 -4.061 -3.199 1.00 11.23 O ATOM 135 CB GLU A 12 8.469 -1.826 -2.429 1.00 45.35 C ATOM 136 CG GLU A 12 8.821 -1.804 -0.952 1.00 23.44 C ATOM 137 CD GLU A 12 10.298 -1.561 -0.706 1.00 72.12 C ATOM 138 OE1 GLU A 12 10.762 -0.428 -0.953 1.00 24.44 O ATOM 139 OE2 GLU A 12 10.989 -2.505 -0.269 1.00 64.05 O ATOM 0 H GLU A 12 10.189 -2.278 -4.141 1.00 24.52 H new ATOM 0 HA GLU A 12 8.827 -3.943 -2.303 1.00 40.41 H new ATOM 0 HB2 GLU A 12 9.098 -1.107 -2.954 1.00 45.35 H new ATOM 0 HB3 GLU A 12 7.437 -1.497 -2.553 1.00 45.35 H new ATOM 0 HG2 GLU A 12 8.241 -1.025 -0.456 1.00 23.44 H new ATOM 0 HG3 GLU A 12 8.533 -2.753 -0.500 1.00 23.44 H new ATOM 146 N LEU A 13 7.344 -3.384 -5.123 1.00 61.31 N ATOM 147 CA LEU A 13 6.181 -3.712 -5.940 1.00 44.33 C ATOM 148 C LEU A 13 5.935 -5.216 -5.960 1.00 71.32 C ATOM 149 O LEU A 13 4.804 -5.673 -5.790 1.00 24.14 O ATOM 150 CB LEU A 13 6.374 -3.196 -7.367 1.00 61.21 C ATOM 151 CG LEU A 13 5.489 -2.020 -7.783 1.00 33.20 C ATOM 152 CD1 LEU A 13 4.037 -2.461 -7.899 1.00 44.40 C ATOM 153 CD2 LEU A 13 5.622 -0.875 -6.789 1.00 65.52 C ATOM 0 H LEU A 13 8.129 -2.993 -5.644 1.00 61.31 H new ATOM 0 HA LEU A 13 5.310 -3.227 -5.499 1.00 44.33 H new ATOM 0 HB2 LEU A 13 7.416 -2.900 -7.487 1.00 61.21 H new ATOM 0 HB3 LEU A 13 6.195 -4.021 -8.057 1.00 61.21 H new ATOM 0 HG LEU A 13 5.820 -1.667 -8.760 1.00 33.20 H new ATOM 0 HD11 LEU A 13 3.421 -1.612 -8.196 1.00 44.40 H new ATOM 0 HD12 LEU A 13 3.955 -3.248 -8.648 1.00 44.40 H new ATOM 0 HD13 LEU A 13 3.694 -2.839 -6.936 1.00 44.40 H new ATOM 0 HD21 LEU A 13 4.986 -0.047 -7.101 1.00 65.52 H new ATOM 0 HD22 LEU A 13 5.317 -1.215 -5.799 1.00 65.52 H new ATOM 0 HD23 LEU A 13 6.659 -0.542 -6.754 1.00 65.52 H new ATOM 165 N ASP A 14 7.000 -5.982 -6.166 1.00 71.13 N ATOM 166 CA ASP A 14 6.900 -7.436 -6.205 1.00 24.22 C ATOM 167 C ASP A 14 6.093 -7.957 -5.020 1.00 23.53 C ATOM 168 O ASP A 14 5.244 -8.836 -5.172 1.00 11.12 O ATOM 169 CB ASP A 14 8.295 -8.065 -6.203 1.00 32.01 C ATOM 170 CG ASP A 14 8.573 -8.862 -7.462 1.00 0.24 C ATOM 171 OD1 ASP A 14 9.002 -8.256 -8.466 1.00 5.43 O ATOM 172 OD2 ASP A 14 8.361 -10.092 -7.443 1.00 61.42 O ATOM 0 H ASP A 14 7.943 -5.620 -6.309 1.00 71.13 H new ATOM 0 HA ASP A 14 6.385 -7.715 -7.124 1.00 24.22 H new ATOM 0 HB2 ASP A 14 9.044 -7.280 -6.101 1.00 32.01 H new ATOM 0 HB3 ASP A 14 8.395 -8.716 -5.335 1.00 32.01 H new ATOM 177 N LYS A 15 6.365 -7.411 -3.839 1.00 74.30 N ATOM 178 CA LYS A 15 5.664 -7.819 -2.628 1.00 52.21 C ATOM 179 C LYS A 15 4.257 -7.229 -2.587 1.00 24.23 C ATOM 180 O LYS A 15 3.290 -7.927 -2.283 1.00 64.15 O ATOM 181 CB LYS A 15 6.447 -7.382 -1.388 1.00 45.21 C ATOM 182 CG LYS A 15 6.547 -8.457 -0.321 1.00 12.14 C ATOM 183 CD LYS A 15 7.868 -8.379 0.428 1.00 35.23 C ATOM 184 CE LYS A 15 8.330 -9.753 0.887 1.00 60.40 C ATOM 185 NZ LYS A 15 9.398 -9.662 1.921 1.00 61.42 N ATOM 0 H LYS A 15 7.066 -6.684 -3.695 1.00 74.30 H new ATOM 0 HA LYS A 15 5.583 -8.906 -2.635 1.00 52.21 H new ATOM 0 HB2 LYS A 15 7.452 -7.086 -1.689 1.00 45.21 H new ATOM 0 HB3 LYS A 15 5.970 -6.500 -0.960 1.00 45.21 H new ATOM 0 HG2 LYS A 15 5.722 -8.350 0.383 1.00 12.14 H new ATOM 0 HG3 LYS A 15 6.447 -9.439 -0.783 1.00 12.14 H new ATOM 0 HD2 LYS A 15 8.627 -7.935 -0.216 1.00 35.23 H new ATOM 0 HD3 LYS A 15 7.760 -7.723 1.292 1.00 35.23 H new ATOM 0 HE2 LYS A 15 7.481 -10.306 1.289 1.00 60.40 H new ATOM 0 HE3 LYS A 15 8.701 -10.316 0.031 1.00 60.40 H new ATOM 0 HZ1 LYS A 15 9.288 -10.439 2.603 1.00 61.42 H new ATOM 0 HZ2 LYS A 15 10.330 -9.732 1.465 1.00 61.42 H new ATOM 0 HZ3 LYS A 15 9.323 -8.752 2.418 1.00 61.42 H new ATOM 199 N TRP A 16 4.153 -5.942 -2.897 1.00 15.23 N ATOM 200 CA TRP A 16 2.864 -5.259 -2.897 1.00 1.33 C ATOM 201 C TRP A 16 1.855 -6.002 -3.765 1.00 14.51 C ATOM 202 O TRP A 16 0.672 -6.075 -3.432 1.00 32.34 O ATOM 203 CB TRP A 16 3.025 -3.822 -3.396 1.00 11.14 C ATOM 204 CG TRP A 16 1.726 -3.081 -3.503 1.00 21.42 C ATOM 205 CD1 TRP A 16 1.161 -2.579 -4.640 1.00 34.40 C ATOM 206 CD2 TRP A 16 0.834 -2.757 -2.431 1.00 4.44 C ATOM 207 NE1 TRP A 16 -0.031 -1.963 -4.339 1.00 43.21 N ATOM 208 CE2 TRP A 16 -0.254 -2.059 -2.992 1.00 2.03 C ATOM 209 CE3 TRP A 16 0.847 -2.990 -1.053 1.00 11.10 C ATOM 210 CZ2 TRP A 16 -1.315 -1.592 -2.221 1.00 21.03 C ATOM 211 CZ3 TRP A 16 -0.208 -2.526 -0.289 1.00 44.40 C ATOM 212 CH2 TRP A 16 -1.276 -1.835 -0.874 1.00 53.33 C ATOM 0 H TRP A 16 4.944 -5.351 -3.151 1.00 15.23 H new ATOM 0 HA TRP A 16 2.490 -5.240 -1.873 1.00 1.33 H new ATOM 0 HB2 TRP A 16 3.688 -3.282 -2.720 1.00 11.14 H new ATOM 0 HB3 TRP A 16 3.508 -3.836 -4.373 1.00 11.14 H new ATOM 0 HD1 TRP A 16 1.587 -2.655 -5.629 1.00 34.40 H new ATOM 0 HE1 TRP A 16 -0.649 -1.508 -5.011 1.00 43.21 H new ATOM 0 HE3 TRP A 16 1.666 -3.523 -0.593 1.00 11.10 H new ATOM 0 HZ2 TRP A 16 -2.139 -1.057 -2.669 1.00 21.03 H new ATOM 0 HZ3 TRP A 16 -0.208 -2.700 0.777 1.00 44.40 H new ATOM 0 HH2 TRP A 16 -2.086 -1.486 -0.250 1.00 53.33 H new ATOM 223 N GLU A 17 2.329 -6.549 -4.880 1.00 34.11 N ATOM 224 CA GLU A 17 1.465 -7.286 -5.795 1.00 42.43 C ATOM 225 C GLU A 17 1.375 -8.755 -5.395 1.00 21.41 C ATOM 226 O GLU A 17 0.589 -9.517 -5.960 1.00 23.12 O ATOM 227 CB GLU A 17 1.986 -7.167 -7.229 1.00 62.31 C ATOM 228 CG GLU A 17 1.855 -5.770 -7.811 1.00 74.32 C ATOM 229 CD GLU A 17 1.838 -5.769 -9.327 1.00 42.22 C ATOM 230 OE1 GLU A 17 2.506 -6.636 -9.929 1.00 53.11 O ATOM 231 OE2 GLU A 17 1.157 -4.900 -9.912 1.00 62.44 O ATOM 0 H GLU A 17 3.305 -6.496 -5.171 1.00 34.11 H new ATOM 0 HA GLU A 17 0.467 -6.852 -5.741 1.00 42.43 H new ATOM 0 HB2 GLU A 17 3.035 -7.464 -7.251 1.00 62.31 H new ATOM 0 HB3 GLU A 17 1.443 -7.868 -7.863 1.00 62.31 H new ATOM 0 HG2 GLU A 17 0.938 -5.311 -7.441 1.00 74.32 H new ATOM 0 HG3 GLU A 17 2.684 -5.155 -7.460 1.00 74.32 H new ATOM 238 N LYS A 18 2.185 -9.147 -4.418 1.00 44.32 N ATOM 239 CA LYS A 18 2.198 -10.524 -3.940 1.00 1.11 C ATOM 240 C LYS A 18 1.020 -10.788 -3.007 1.00 0.41 C ATOM 241 O LYS A 18 0.603 -11.932 -2.826 1.00 40.34 O ATOM 242 CB LYS A 18 3.513 -10.822 -3.215 1.00 42.42 C ATOM 243 CG LYS A 18 3.966 -12.266 -3.346 1.00 22.31 C ATOM 244 CD LYS A 18 5.369 -12.360 -3.920 1.00 25.01 C ATOM 245 CE LYS A 18 5.701 -13.781 -4.349 1.00 22.01 C ATOM 246 NZ LYS A 18 7.128 -13.919 -4.756 1.00 41.11 N ATOM 0 H LYS A 18 2.842 -8.529 -3.941 1.00 44.32 H new ATOM 0 HA LYS A 18 2.109 -11.182 -4.804 1.00 1.11 H new ATOM 0 HB2 LYS A 18 4.291 -10.169 -3.609 1.00 42.42 H new ATOM 0 HB3 LYS A 18 3.398 -10.580 -2.158 1.00 42.42 H new ATOM 0 HG2 LYS A 18 3.939 -12.747 -2.368 1.00 22.31 H new ATOM 0 HG3 LYS A 18 3.272 -12.809 -3.988 1.00 22.31 H new ATOM 0 HD2 LYS A 18 5.459 -11.690 -4.775 1.00 25.01 H new ATOM 0 HD3 LYS A 18 6.091 -12.025 -3.175 1.00 25.01 H new ATOM 0 HE2 LYS A 18 5.489 -14.467 -3.529 1.00 22.01 H new ATOM 0 HE3 LYS A 18 5.057 -14.069 -5.180 1.00 22.01 H new ATOM 0 HZ1 LYS A 18 7.314 -14.902 -5.041 1.00 41.11 H new ATOM 0 HZ2 LYS A 18 7.324 -13.283 -5.555 1.00 41.11 H new ATOM 0 HZ3 LYS A 18 7.743 -13.668 -3.956 1.00 41.11 H new ATOM 260 N ILE A 19 0.488 -9.722 -2.418 1.00 23.13 N ATOM 261 CA ILE A 19 -0.642 -9.839 -1.506 1.00 33.21 C ATOM 262 C ILE A 19 -1.957 -9.946 -2.271 1.00 12.33 C ATOM 263 O ILE A 19 -2.222 -9.162 -3.183 1.00 11.54 O ATOM 264 CB ILE A 19 -0.717 -8.637 -0.545 1.00 23.43 C ATOM 265 CG1 ILE A 19 0.644 -8.396 0.112 1.00 41.34 C ATOM 266 CG2 ILE A 19 -1.786 -8.871 0.513 1.00 52.43 C ATOM 267 CD1 ILE A 19 1.282 -7.083 -0.287 1.00 30.13 C ATOM 0 H ILE A 19 0.822 -8.768 -2.556 1.00 23.13 H new ATOM 0 HA ILE A 19 -0.486 -10.749 -0.926 1.00 33.21 H new ATOM 0 HB ILE A 19 -0.986 -7.749 -1.117 1.00 23.43 H new ATOM 0 HG12 ILE A 19 0.525 -8.419 1.195 1.00 41.34 H new ATOM 0 HG13 ILE A 19 1.316 -9.213 -0.152 1.00 41.34 H new ATOM 0 HG21 ILE A 19 -1.827 -8.013 1.185 1.00 52.43 H new ATOM 0 HG22 ILE A 19 -2.754 -9.000 0.030 1.00 52.43 H new ATOM 0 HG23 ILE A 19 -1.543 -9.767 1.084 1.00 52.43 H new ATOM 0 HD11 ILE A 19 2.243 -6.978 0.216 1.00 30.13 H new ATOM 0 HD12 ILE A 19 1.433 -7.065 -1.366 1.00 30.13 H new ATOM 0 HD13 ILE A 19 0.630 -6.259 0.002 1.00 30.13 H new ATOM 279 N ARG A 20 -2.778 -10.921 -1.894 1.00 1.44 N ATOM 280 CA ARG A 20 -4.066 -11.130 -2.544 1.00 50.40 C ATOM 281 C ARG A 20 -5.163 -10.331 -1.847 1.00 15.41 C ATOM 282 O ARG A 20 -5.123 -10.129 -0.632 1.00 51.20 O ATOM 283 CB ARG A 20 -4.425 -12.616 -2.545 1.00 62.33 C ATOM 284 CG ARG A 20 -3.571 -13.449 -3.487 1.00 51.51 C ATOM 285 CD ARG A 20 -4.346 -14.632 -4.044 1.00 74.14 C ATOM 286 NE ARG A 20 -3.465 -15.636 -4.634 1.00 3.14 N ATOM 287 CZ ARG A 20 -2.683 -16.437 -3.919 1.00 5.30 C ATOM 288 NH1 ARG A 20 -2.672 -16.352 -2.596 1.00 52.30 N ATOM 289 NH2 ARG A 20 -1.908 -17.325 -4.529 1.00 23.34 N ATOM 0 H ARG A 20 -2.574 -11.579 -1.142 1.00 1.44 H new ATOM 0 HA ARG A 20 -3.986 -10.782 -3.574 1.00 50.40 H new ATOM 0 HB2 ARG A 20 -4.321 -13.007 -1.533 1.00 62.33 H new ATOM 0 HB3 ARG A 20 -5.473 -12.728 -2.824 1.00 62.33 H new ATOM 0 HG2 ARG A 20 -3.219 -12.825 -4.308 1.00 51.51 H new ATOM 0 HG3 ARG A 20 -2.688 -13.808 -2.958 1.00 51.51 H new ATOM 0 HD2 ARG A 20 -4.933 -15.088 -3.247 1.00 74.14 H new ATOM 0 HD3 ARG A 20 -5.051 -14.281 -4.798 1.00 74.14 H new ATOM 0 HE ARG A 20 -3.449 -15.727 -5.650 1.00 3.14 H new ATOM 0 HH11 ARG A 20 -3.265 -15.670 -2.124 1.00 52.30 H new ATOM 0 HH12 ARG A 20 -2.070 -16.969 -2.050 1.00 52.30 H new ATOM 0 HH21 ARG A 20 -1.913 -17.392 -5.547 1.00 23.34 H new ATOM 0 HH22 ARG A 20 -1.307 -17.940 -3.980 1.00 23.34 H new ATOM 303 N LEU A 21 -6.142 -9.877 -2.623 1.00 24.24 N ATOM 304 CA LEU A 21 -7.251 -9.100 -2.080 1.00 21.12 C ATOM 305 C LEU A 21 -8.213 -9.993 -1.302 1.00 22.21 C ATOM 306 O LEU A 21 -8.662 -9.637 -0.213 1.00 13.13 O ATOM 307 CB LEU A 21 -7.998 -8.386 -3.207 1.00 44.52 C ATOM 308 CG LEU A 21 -7.241 -7.254 -3.902 1.00 54.13 C ATOM 309 CD1 LEU A 21 -7.974 -6.815 -5.161 1.00 31.22 C ATOM 310 CD2 LEU A 21 -7.053 -6.078 -2.955 1.00 14.41 C ATOM 0 H LEU A 21 -6.190 -10.034 -3.630 1.00 24.24 H new ATOM 0 HA LEU A 21 -6.841 -8.357 -1.396 1.00 21.12 H new ATOM 0 HB2 LEU A 21 -8.275 -9.126 -3.958 1.00 44.52 H new ATOM 0 HB3 LEU A 21 -8.925 -7.981 -2.802 1.00 44.52 H new ATOM 0 HG LEU A 21 -6.257 -7.624 -4.190 1.00 54.13 H new ATOM 0 HD11 LEU A 21 -7.420 -6.009 -5.642 1.00 31.22 H new ATOM 0 HD12 LEU A 21 -8.056 -7.658 -5.847 1.00 31.22 H new ATOM 0 HD13 LEU A 21 -8.971 -6.463 -4.897 1.00 31.22 H new ATOM 0 HD21 LEU A 21 -6.512 -5.282 -3.467 1.00 14.41 H new ATOM 0 HD22 LEU A 21 -8.028 -5.708 -2.636 1.00 14.41 H new ATOM 0 HD23 LEU A 21 -6.484 -6.400 -2.083 1.00 14.41 H new ATOM 322 N ARG A 22 -8.522 -11.155 -1.868 1.00 53.40 N ATOM 323 CA ARG A 22 -9.430 -12.098 -1.228 1.00 22.52 C ATOM 324 C ARG A 22 -8.666 -13.299 -0.677 1.00 23.13 C ATOM 325 O ARG A 22 -7.539 -13.589 -1.081 1.00 54.35 O ATOM 326 CB ARG A 22 -10.493 -12.570 -2.221 1.00 31.13 C ATOM 327 CG ARG A 22 -11.767 -11.740 -2.190 1.00 21.02 C ATOM 328 CD ARG A 22 -12.978 -12.563 -2.600 1.00 54.33 C ATOM 329 NE ARG A 22 -14.232 -11.879 -2.295 1.00 70.11 N ATOM 330 CZ ARG A 22 -15.428 -12.364 -2.608 1.00 34.43 C ATOM 331 NH1 ARG A 22 -15.532 -13.531 -3.230 1.00 50.12 N ATOM 332 NH2 ARG A 22 -16.524 -11.684 -2.296 1.00 45.21 N ATOM 0 H ARG A 22 -8.157 -11.466 -2.768 1.00 53.40 H new ATOM 0 HA ARG A 22 -9.919 -11.587 -0.399 1.00 22.52 H new ATOM 0 HB2 ARG A 22 -10.076 -12.542 -3.228 1.00 31.13 H new ATOM 0 HB3 ARG A 22 -10.741 -13.610 -2.008 1.00 31.13 H new ATOM 0 HG2 ARG A 22 -11.919 -11.342 -1.187 1.00 21.02 H new ATOM 0 HG3 ARG A 22 -11.663 -10.886 -2.859 1.00 21.02 H new ATOM 0 HD2 ARG A 22 -12.930 -12.772 -3.669 1.00 54.33 H new ATOM 0 HD3 ARG A 22 -12.955 -13.524 -2.086 1.00 54.33 H new ATOM 0 HE ARG A 22 -14.187 -10.980 -1.815 1.00 70.11 H new ATOM 0 HH11 ARG A 22 -14.692 -14.058 -3.469 1.00 50.12 H new ATOM 0 HH12 ARG A 22 -16.452 -13.901 -3.469 1.00 50.12 H new ATOM 0 HH21 ARG A 22 -16.448 -10.788 -1.815 1.00 45.21 H new ATOM 0 HH22 ARG A 22 -17.442 -12.058 -2.537 1.00 45.21 H new ATOM 346 N PRO A 23 -9.291 -14.015 0.270 1.00 63.11 N ATOM 347 CA PRO A 23 -8.688 -15.195 0.897 1.00 22.31 C ATOM 348 C PRO A 23 -8.585 -16.374 -0.065 1.00 74.15 C ATOM 349 O PRO A 23 -7.537 -17.009 -0.175 1.00 2.23 O ATOM 350 CB PRO A 23 -9.652 -15.521 2.040 1.00 13.41 C ATOM 351 CG PRO A 23 -10.960 -14.956 1.605 1.00 72.34 C ATOM 352 CD PRO A 23 -10.633 -13.728 0.800 1.00 55.01 C ATOM 0 HA PRO A 23 -7.666 -15.005 1.224 1.00 22.31 H new ATOM 0 HB2 PRO A 23 -9.721 -16.596 2.206 1.00 13.41 H new ATOM 0 HB3 PRO A 23 -9.320 -15.075 2.977 1.00 13.41 H new ATOM 0 HG2 PRO A 23 -11.517 -15.677 1.008 1.00 72.34 H new ATOM 0 HG3 PRO A 23 -11.582 -14.705 2.464 1.00 72.34 H new ATOM 0 HD2 PRO A 23 -11.355 -13.568 -0.000 1.00 55.01 H new ATOM 0 HD3 PRO A 23 -10.638 -12.830 1.417 1.00 55.01 H new ATOM 360 N GLY A 24 -9.681 -16.662 -0.762 1.00 10.32 N ATOM 361 CA GLY A 24 -9.692 -17.763 -1.705 1.00 62.25 C ATOM 362 C GLY A 24 -9.823 -17.295 -3.141 1.00 51.15 C ATOM 363 O GLY A 24 -10.407 -17.986 -3.976 1.00 1.43 O ATOM 0 H GLY A 24 -10.561 -16.151 -0.689 1.00 10.32 H new ATOM 0 HA2 GLY A 24 -8.773 -18.340 -1.596 1.00 62.25 H new ATOM 0 HA3 GLY A 24 -10.519 -18.433 -1.467 1.00 62.25 H new ATOM 367 N GLY A 25 -9.279 -16.117 -3.430 1.00 65.31 N ATOM 368 CA GLY A 25 -9.350 -15.577 -4.776 1.00 15.11 C ATOM 369 C GLY A 25 -7.996 -15.531 -5.455 1.00 52.30 C ATOM 370 O GLY A 25 -7.030 -16.120 -4.971 1.00 4.15 O ATOM 0 H GLY A 25 -8.790 -15.527 -2.757 1.00 65.31 H new ATOM 0 HA2 GLY A 25 -10.031 -16.184 -5.372 1.00 15.11 H new ATOM 0 HA3 GLY A 25 -9.769 -14.571 -4.739 1.00 15.11 H new ATOM 374 N LYS A 26 -7.925 -14.831 -6.582 1.00 40.31 N ATOM 375 CA LYS A 26 -6.680 -14.711 -7.330 1.00 45.44 C ATOM 376 C LYS A 26 -6.322 -13.245 -7.561 1.00 13.10 C ATOM 377 O LYS A 26 -5.328 -12.933 -8.216 1.00 41.11 O ATOM 378 CB LYS A 26 -6.796 -15.435 -8.673 1.00 63.23 C ATOM 379 CG LYS A 26 -6.680 -16.945 -8.562 1.00 14.12 C ATOM 380 CD LYS A 26 -7.659 -17.649 -9.487 1.00 12.14 C ATOM 381 CE LYS A 26 -7.158 -19.030 -9.882 1.00 15.33 C ATOM 382 NZ LYS A 26 -8.252 -20.040 -9.873 1.00 62.32 N ATOM 0 H LYS A 26 -8.716 -14.338 -6.997 1.00 40.31 H new ATOM 0 HA LYS A 26 -5.887 -15.173 -6.742 1.00 45.44 H new ATOM 0 HB2 LYS A 26 -7.754 -15.185 -9.129 1.00 63.23 H new ATOM 0 HB3 LYS A 26 -6.018 -15.068 -9.343 1.00 63.23 H new ATOM 0 HG2 LYS A 26 -5.663 -17.252 -8.806 1.00 14.12 H new ATOM 0 HG3 LYS A 26 -6.867 -17.250 -7.532 1.00 14.12 H new ATOM 0 HD2 LYS A 26 -8.627 -17.739 -8.994 1.00 12.14 H new ATOM 0 HD3 LYS A 26 -7.813 -17.047 -10.382 1.00 12.14 H new ATOM 0 HE2 LYS A 26 -6.714 -18.985 -10.876 1.00 15.33 H new ATOM 0 HE3 LYS A 26 -6.371 -19.341 -9.195 1.00 15.33 H new ATOM 0 HZ1 LYS A 26 -7.870 -20.968 -10.148 1.00 62.32 H new ATOM 0 HZ2 LYS A 26 -8.659 -20.102 -8.918 1.00 62.32 H new ATOM 0 HZ3 LYS A 26 -8.992 -19.757 -10.547 1.00 62.32 H new ATOM 396 N LYS A 27 -7.139 -12.349 -7.016 1.00 71.41 N ATOM 397 CA LYS A 27 -6.909 -10.917 -7.159 1.00 71.12 C ATOM 398 C LYS A 27 -5.830 -10.440 -6.192 1.00 31.40 C ATOM 399 O LYS A 27 -5.649 -11.015 -5.119 1.00 22.24 O ATOM 400 CB LYS A 27 -8.207 -10.144 -6.914 1.00 44.22 C ATOM 401 CG LYS A 27 -8.618 -9.261 -8.080 1.00 4.33 C ATOM 402 CD LYS A 27 -10.105 -9.378 -8.370 1.00 21.02 C ATOM 403 CE LYS A 27 -10.498 -8.574 -9.600 1.00 43.10 C ATOM 404 NZ LYS A 27 -9.991 -9.195 -10.854 1.00 65.13 N ATOM 0 H LYS A 27 -7.967 -12.590 -6.471 1.00 71.41 H new ATOM 0 HA LYS A 27 -6.568 -10.729 -8.177 1.00 71.12 H new ATOM 0 HB2 LYS A 27 -9.008 -10.853 -6.706 1.00 44.22 H new ATOM 0 HB3 LYS A 27 -8.089 -9.525 -6.024 1.00 44.22 H new ATOM 0 HG2 LYS A 27 -8.370 -8.223 -7.857 1.00 4.33 H new ATOM 0 HG3 LYS A 27 -8.050 -9.541 -8.967 1.00 4.33 H new ATOM 0 HD2 LYS A 27 -10.366 -10.426 -8.520 1.00 21.02 H new ATOM 0 HD3 LYS A 27 -10.673 -9.028 -7.508 1.00 21.02 H new ATOM 0 HE2 LYS A 27 -11.584 -8.492 -9.649 1.00 43.10 H new ATOM 0 HE3 LYS A 27 -10.106 -7.561 -9.512 1.00 43.10 H new ATOM 0 HZ1 LYS A 27 -10.404 -8.708 -11.675 1.00 65.13 H new ATOM 0 HZ2 LYS A 27 -8.955 -9.113 -10.888 1.00 65.13 H new ATOM 0 HZ3 LYS A 27 -10.259 -10.200 -10.877 1.00 65.13 H new ATOM 418 N GLN A 28 -5.120 -9.385 -6.578 1.00 23.32 N ATOM 419 CA GLN A 28 -4.060 -8.832 -5.743 1.00 74.01 C ATOM 420 C GLN A 28 -4.120 -7.307 -5.728 1.00 23.24 C ATOM 421 O GLN A 28 -5.039 -6.707 -6.285 1.00 2.13 O ATOM 422 CB GLN A 28 -2.692 -9.295 -6.245 1.00 31.05 C ATOM 423 CG GLN A 28 -2.477 -10.796 -6.128 1.00 34.23 C ATOM 424 CD GLN A 28 -1.818 -11.389 -7.357 1.00 51.32 C ATOM 425 OE1 GLN A 28 -0.658 -11.101 -7.653 1.00 62.14 O ATOM 426 NE2 GLN A 28 -2.554 -12.224 -8.081 1.00 14.54 N ATOM 0 H GLN A 28 -5.259 -8.896 -7.462 1.00 23.32 H new ATOM 0 HA GLN A 28 -4.207 -9.194 -4.725 1.00 74.01 H new ATOM 0 HB2 GLN A 28 -2.578 -9.000 -7.288 1.00 31.05 H new ATOM 0 HB3 GLN A 28 -1.914 -8.780 -5.682 1.00 31.05 H new ATOM 0 HG2 GLN A 28 -1.860 -11.004 -5.254 1.00 34.23 H new ATOM 0 HG3 GLN A 28 -3.437 -11.285 -5.964 1.00 34.23 H new ATOM 0 HE21 GLN A 28 -3.511 -12.435 -7.800 1.00 14.54 H new ATOM 0 HE22 GLN A 28 -2.162 -12.654 -8.919 1.00 14.54 H new ATOM 435 N TYR A 29 -3.134 -6.689 -5.087 1.00 73.12 N ATOM 436 CA TYR A 29 -3.076 -5.235 -4.997 1.00 11.31 C ATOM 437 C TYR A 29 -2.260 -4.650 -6.145 1.00 45.43 C ATOM 438 O TYR A 29 -1.338 -5.287 -6.655 1.00 71.02 O ATOM 439 CB TYR A 29 -2.470 -4.810 -3.657 1.00 52.45 C ATOM 440 CG TYR A 29 -3.444 -4.880 -2.503 1.00 35.54 C ATOM 441 CD1 TYR A 29 -3.594 -6.049 -1.766 1.00 1.34 C ATOM 442 CD2 TYR A 29 -4.214 -3.780 -2.149 1.00 11.22 C ATOM 443 CE1 TYR A 29 -4.482 -6.118 -0.710 1.00 53.12 C ATOM 444 CE2 TYR A 29 -5.104 -3.839 -1.094 1.00 71.51 C ATOM 445 CZ TYR A 29 -5.235 -5.011 -0.379 1.00 1.23 C ATOM 446 OH TYR A 29 -6.121 -5.076 0.673 1.00 60.21 O ATOM 0 H TYR A 29 -2.365 -7.172 -4.623 1.00 73.12 H new ATOM 0 HA TYR A 29 -4.094 -4.851 -5.067 1.00 11.31 H new ATOM 0 HB2 TYR A 29 -1.613 -5.446 -3.437 1.00 52.45 H new ATOM 0 HB3 TYR A 29 -2.096 -3.790 -3.744 1.00 52.45 H new ATOM 0 HD1 TYR A 29 -3.006 -6.918 -2.023 1.00 1.34 H new ATOM 0 HD2 TYR A 29 -4.115 -2.862 -2.709 1.00 11.22 H new ATOM 0 HE1 TYR A 29 -4.586 -7.034 -0.147 1.00 53.12 H new ATOM 0 HE2 TYR A 29 -5.693 -2.973 -0.831 1.00 71.51 H new ATOM 0 HH TYR A 29 -6.455 -5.993 0.763 1.00 60.21 H new ATOM 456 N LYS A 30 -2.606 -3.432 -6.547 1.00 43.42 N ATOM 457 CA LYS A 30 -1.906 -2.757 -7.634 1.00 61.01 C ATOM 458 C LYS A 30 -1.751 -1.268 -7.341 1.00 33.13 C ATOM 459 O LYS A 30 -2.318 -0.753 -6.376 1.00 72.10 O ATOM 460 CB LYS A 30 -2.659 -2.952 -8.952 1.00 0.31 C ATOM 461 CG LYS A 30 -1.968 -3.903 -9.913 1.00 24.41 C ATOM 462 CD LYS A 30 -1.881 -3.319 -11.313 1.00 2.53 C ATOM 463 CE LYS A 30 -1.145 -4.251 -12.262 1.00 44.30 C ATOM 464 NZ LYS A 30 0.250 -3.794 -12.517 1.00 32.13 N ATOM 0 H LYS A 30 -3.367 -2.892 -6.136 1.00 43.42 H new ATOM 0 HA LYS A 30 -0.913 -3.197 -7.721 1.00 61.01 H new ATOM 0 HB2 LYS A 30 -3.659 -3.329 -8.737 1.00 0.31 H new ATOM 0 HB3 LYS A 30 -2.781 -1.984 -9.437 1.00 0.31 H new ATOM 0 HG2 LYS A 30 -0.965 -4.125 -9.548 1.00 24.41 H new ATOM 0 HG3 LYS A 30 -2.512 -4.847 -9.945 1.00 24.41 H new ATOM 0 HD2 LYS A 30 -2.885 -3.131 -11.693 1.00 2.53 H new ATOM 0 HD3 LYS A 30 -1.369 -2.358 -11.276 1.00 2.53 H new ATOM 0 HE2 LYS A 30 -1.127 -5.257 -11.842 1.00 44.30 H new ATOM 0 HE3 LYS A 30 -1.686 -4.310 -13.206 1.00 44.30 H new ATOM 0 HZ1 LYS A 30 0.609 -4.241 -13.385 1.00 32.13 H new ATOM 0 HZ2 LYS A 30 0.261 -2.760 -12.630 1.00 32.13 H new ATOM 0 HZ3 LYS A 30 0.855 -4.061 -11.714 1.00 32.13 H new ATOM 478 N LEU A 31 -0.982 -0.582 -8.178 1.00 43.03 N ATOM 479 CA LEU A 31 -0.754 0.849 -8.009 1.00 43.51 C ATOM 480 C LEU A 31 -2.071 1.591 -7.804 1.00 33.43 C ATOM 481 O LEU A 31 -2.131 2.585 -7.081 1.00 51.45 O ATOM 482 CB LEU A 31 -0.021 1.416 -9.226 1.00 4.14 C ATOM 483 CG LEU A 31 1.457 1.754 -9.022 1.00 21.21 C ATOM 484 CD1 LEU A 31 2.218 0.539 -8.514 1.00 52.12 C ATOM 485 CD2 LEU A 31 2.070 2.267 -10.316 1.00 43.12 C ATOM 0 H LEU A 31 -0.505 -0.993 -8.981 1.00 43.03 H new ATOM 0 HA LEU A 31 -0.137 0.990 -7.122 1.00 43.51 H new ATOM 0 HB2 LEU A 31 -0.099 0.696 -10.040 1.00 4.14 H new ATOM 0 HB3 LEU A 31 -0.539 2.319 -9.549 1.00 4.14 H new ATOM 0 HG LEU A 31 1.529 2.541 -8.272 1.00 21.21 H new ATOM 0 HD11 LEU A 31 3.267 0.799 -8.375 1.00 52.12 H new ATOM 0 HD12 LEU A 31 1.795 0.216 -7.563 1.00 52.12 H new ATOM 0 HD13 LEU A 31 2.138 -0.270 -9.240 1.00 52.12 H new ATOM 0 HD21 LEU A 31 3.122 2.502 -10.152 1.00 43.12 H new ATOM 0 HD22 LEU A 31 1.985 1.501 -11.087 1.00 43.12 H new ATOM 0 HD23 LEU A 31 1.543 3.165 -10.637 1.00 43.12 H new ATOM 497 N LYS A 32 -3.127 1.097 -8.443 1.00 41.50 N ATOM 498 CA LYS A 32 -4.445 1.710 -8.329 1.00 34.34 C ATOM 499 C LYS A 32 -4.776 2.020 -6.873 1.00 32.24 C ATOM 500 O LYS A 32 -5.338 3.072 -6.565 1.00 34.02 O ATOM 501 CB LYS A 32 -5.512 0.785 -8.920 1.00 53.14 C ATOM 502 CG LYS A 32 -6.670 1.526 -9.566 1.00 43.51 C ATOM 503 CD LYS A 32 -7.986 1.215 -8.876 1.00 22.42 C ATOM 504 CE LYS A 32 -9.114 2.087 -9.405 1.00 65.02 C ATOM 505 NZ LYS A 32 -10.162 2.324 -8.374 1.00 43.44 N ATOM 0 H LYS A 32 -3.095 0.274 -9.045 1.00 41.50 H new ATOM 0 HA LYS A 32 -4.433 2.646 -8.888 1.00 34.34 H new ATOM 0 HB2 LYS A 32 -5.047 0.136 -9.663 1.00 53.14 H new ATOM 0 HB3 LYS A 32 -5.899 0.140 -8.131 1.00 53.14 H new ATOM 0 HG2 LYS A 32 -6.483 2.599 -9.528 1.00 43.51 H new ATOM 0 HG3 LYS A 32 -6.737 1.252 -10.619 1.00 43.51 H new ATOM 0 HD2 LYS A 32 -8.237 0.165 -9.025 1.00 22.42 H new ATOM 0 HD3 LYS A 32 -7.880 1.368 -7.802 1.00 22.42 H new ATOM 0 HE2 LYS A 32 -8.709 3.043 -9.737 1.00 65.02 H new ATOM 0 HE3 LYS A 32 -9.563 1.611 -10.277 1.00 65.02 H new ATOM 0 HZ1 LYS A 32 -10.913 2.922 -8.774 1.00 43.44 H new ATOM 0 HZ2 LYS A 32 -10.567 1.414 -8.075 1.00 43.44 H new ATOM 0 HZ3 LYS A 32 -9.739 2.802 -7.553 1.00 43.44 H new ATOM 519 N HIS A 33 -4.424 1.099 -5.981 1.00 13.34 N ATOM 520 CA HIS A 33 -4.683 1.277 -4.556 1.00 61.24 C ATOM 521 C HIS A 33 -3.699 2.271 -3.946 1.00 41.42 C ATOM 522 O HIS A 33 -4.160 3.137 -3.201 1.00 45.11 O ATOM 523 CB HIS A 33 -4.588 -0.064 -3.828 1.00 22.53 C ATOM 524 CG HIS A 33 -5.412 -1.147 -4.455 1.00 51.30 C ATOM 525 ND1 HIS A 33 -4.862 -2.235 -5.098 1.00 63.41 N ATOM 526 CD2 HIS A 33 -6.754 -1.304 -4.536 1.00 15.54 C ATOM 527 CE1 HIS A 33 -5.830 -3.014 -5.547 1.00 14.14 C ATOM 528 NE2 HIS A 33 -6.988 -2.471 -5.217 1.00 72.42 N ATOM 0 H HIS A 33 -3.959 0.223 -6.219 1.00 13.34 H new ATOM 0 HA HIS A 33 -5.692 1.674 -4.441 1.00 61.24 H new ATOM 0 HB2 HIS A 33 -3.545 -0.381 -3.803 1.00 22.53 H new ATOM 0 HB3 HIS A 33 -4.906 0.070 -2.794 1.00 22.53 H new ATOM 0 HD2 HIS A 33 -7.502 -0.634 -4.138 1.00 15.54 H new ATOM 0 HE1 HIS A 33 -5.697 -3.937 -6.091 1.00 14.14 H new ATOM 0 HE2 HIS A 33 -7.907 -2.857 -5.434 1.00 72.42 H new ATOM 536 N ILE A 34 -2.405 2.174 -4.230 1.00 64.42 N ATOM 537 CA ILE A 34 -1.428 3.101 -3.671 1.00 55.12 C ATOM 538 C ILE A 34 -1.842 4.548 -3.918 1.00 43.24 C ATOM 539 O ILE A 34 -1.545 5.435 -3.117 1.00 24.42 O ATOM 540 CB ILE A 34 -0.028 2.870 -4.268 1.00 44.50 C ATOM 541 CG1 ILE A 34 0.506 1.496 -3.855 1.00 51.50 C ATOM 542 CG2 ILE A 34 0.925 3.971 -3.823 1.00 33.41 C ATOM 543 CD1 ILE A 34 1.243 0.777 -4.963 1.00 54.21 C ATOM 0 H ILE A 34 -2.008 1.463 -4.844 1.00 64.42 H new ATOM 0 HA ILE A 34 -1.391 2.914 -2.598 1.00 55.12 H new ATOM 0 HB ILE A 34 -0.103 2.898 -5.355 1.00 44.50 H new ATOM 0 HG12 ILE A 34 1.175 1.616 -3.003 1.00 51.50 H new ATOM 0 HG13 ILE A 34 -0.327 0.877 -3.522 1.00 51.50 H new ATOM 0 HG21 ILE A 34 1.911 3.794 -4.253 1.00 33.41 H new ATOM 0 HG22 ILE A 34 0.549 4.936 -4.162 1.00 33.41 H new ATOM 0 HG23 ILE A 34 0.998 3.971 -2.735 1.00 33.41 H new ATOM 0 HD11 ILE A 34 1.593 -0.189 -4.600 1.00 54.21 H new ATOM 0 HD12 ILE A 34 0.571 0.625 -5.808 1.00 54.21 H new ATOM 0 HD13 ILE A 34 2.096 1.376 -5.281 1.00 54.21 H new ATOM 555 N VAL A 35 -2.531 4.779 -5.031 1.00 2.51 N ATOM 556 CA VAL A 35 -2.987 6.119 -5.383 1.00 33.24 C ATOM 557 C VAL A 35 -4.269 6.476 -4.636 1.00 25.32 C ATOM 558 O VAL A 35 -4.371 7.546 -4.036 1.00 0.03 O ATOM 559 CB VAL A 35 -3.236 6.248 -6.897 1.00 74.41 C ATOM 560 CG1 VAL A 35 -3.848 7.602 -7.225 1.00 33.12 C ATOM 561 CG2 VAL A 35 -1.943 6.036 -7.669 1.00 0.45 C ATOM 0 H VAL A 35 -2.786 4.056 -5.704 1.00 2.51 H new ATOM 0 HA VAL A 35 -2.195 6.810 -5.093 1.00 33.24 H new ATOM 0 HB VAL A 35 -3.943 5.475 -7.199 1.00 74.41 H new ATOM 0 HG11 VAL A 35 -4.017 7.674 -8.299 1.00 33.12 H new ATOM 0 HG12 VAL A 35 -4.798 7.709 -6.701 1.00 33.12 H new ATOM 0 HG13 VAL A 35 -3.169 8.394 -6.910 1.00 33.12 H new ATOM 0 HG21 VAL A 35 -2.137 6.131 -8.737 1.00 0.45 H new ATOM 0 HG22 VAL A 35 -1.211 6.785 -7.366 1.00 0.45 H new ATOM 0 HG23 VAL A 35 -1.552 5.040 -7.458 1.00 0.45 H new ATOM 571 N TRP A 36 -5.241 5.573 -4.677 1.00 55.40 N ATOM 572 CA TRP A 36 -6.516 5.793 -4.003 1.00 51.51 C ATOM 573 C TRP A 36 -6.310 6.022 -2.510 1.00 33.13 C ATOM 574 O TRP A 36 -6.907 6.924 -1.922 1.00 63.20 O ATOM 575 CB TRP A 36 -7.446 4.600 -4.225 1.00 73.21 C ATOM 576 CG TRP A 36 -8.745 4.713 -3.485 1.00 65.53 C ATOM 577 CD1 TRP A 36 -9.890 5.311 -3.928 1.00 74.44 C ATOM 578 CD2 TRP A 36 -9.030 4.217 -2.173 1.00 23.42 C ATOM 579 NE1 TRP A 36 -10.870 5.216 -2.970 1.00 54.12 N ATOM 580 CE2 TRP A 36 -10.368 4.548 -1.884 1.00 12.31 C ATOM 581 CE3 TRP A 36 -8.286 3.523 -1.215 1.00 32.10 C ATOM 582 CZ2 TRP A 36 -10.974 4.210 -0.677 1.00 54.31 C ATOM 583 CZ3 TRP A 36 -8.889 3.188 -0.018 1.00 13.33 C ATOM 584 CH2 TRP A 36 -10.222 3.532 0.243 1.00 32.33 C ATOM 0 H TRP A 36 -5.172 4.682 -5.169 1.00 55.40 H new ATOM 0 HA TRP A 36 -6.974 6.686 -4.428 1.00 51.51 H new ATOM 0 HB2 TRP A 36 -7.651 4.502 -5.291 1.00 73.21 H new ATOM 0 HB3 TRP A 36 -6.936 3.688 -3.913 1.00 73.21 H new ATOM 0 HD1 TRP A 36 -10.008 5.788 -4.890 1.00 74.44 H new ATOM 0 HE1 TRP A 36 -11.818 5.583 -3.054 1.00 54.12 H new ATOM 0 HE3 TRP A 36 -7.258 3.253 -1.407 1.00 32.10 H new ATOM 0 HZ2 TRP A 36 -12.001 4.474 -0.474 1.00 54.31 H new ATOM 0 HZ3 TRP A 36 -8.323 2.652 0.729 1.00 13.33 H new ATOM 0 HH2 TRP A 36 -10.664 3.257 1.189 1.00 32.33 H new ATOM 595 N ALA A 37 -5.462 5.200 -1.901 1.00 63.21 N ATOM 596 CA ALA A 37 -5.176 5.315 -0.476 1.00 13.34 C ATOM 597 C ALA A 37 -4.453 6.621 -0.165 1.00 14.44 C ATOM 598 O ALA A 37 -4.912 7.414 0.659 1.00 44.43 O ATOM 599 CB ALA A 37 -4.350 4.127 -0.006 1.00 2.33 C ATOM 0 H ALA A 37 -4.961 4.447 -2.372 1.00 63.21 H new ATOM 0 HA ALA A 37 -6.125 5.319 0.061 1.00 13.34 H new ATOM 0 HB1 ALA A 37 -4.144 4.226 1.060 1.00 2.33 H new ATOM 0 HB2 ALA A 37 -4.904 3.205 -0.184 1.00 2.33 H new ATOM 0 HB3 ALA A 37 -3.410 4.097 -0.556 1.00 2.33 H new ATOM 605 N SER A 38 -3.321 6.839 -0.827 1.00 74.52 N ATOM 606 CA SER A 38 -2.533 8.047 -0.617 1.00 60.35 C ATOM 607 C SER A 38 -3.401 9.294 -0.762 1.00 14.14 C ATOM 608 O SER A 38 -3.158 10.311 -0.113 1.00 41.10 O ATOM 609 CB SER A 38 -1.372 8.103 -1.612 1.00 52.44 C ATOM 610 OG SER A 38 -0.759 9.380 -1.609 1.00 12.32 O ATOM 0 H SER A 38 -2.929 6.194 -1.513 1.00 74.52 H new ATOM 0 HA SER A 38 -2.133 8.019 0.397 1.00 60.35 H new ATOM 0 HB2 SER A 38 -0.634 7.342 -1.358 1.00 52.44 H new ATOM 0 HB3 SER A 38 -1.736 7.873 -2.613 1.00 52.44 H new ATOM 0 HG SER A 38 -0.019 9.389 -2.252 1.00 12.32 H new ATOM 616 N ARG A 39 -4.416 9.206 -1.616 1.00 63.34 N ATOM 617 CA ARG A 39 -5.319 10.326 -1.847 1.00 12.42 C ATOM 618 C ARG A 39 -6.409 10.374 -0.779 1.00 41.43 C ATOM 619 O ARG A 39 -6.709 11.436 -0.233 1.00 65.24 O ATOM 620 CB ARG A 39 -5.954 10.219 -3.234 1.00 71.42 C ATOM 621 CG ARG A 39 -7.011 11.278 -3.504 1.00 75.42 C ATOM 622 CD ARG A 39 -7.717 11.036 -4.829 1.00 71.54 C ATOM 623 NE ARG A 39 -7.202 11.898 -5.889 1.00 10.43 N ATOM 624 CZ ARG A 39 -7.599 11.826 -7.154 1.00 72.10 C ATOM 625 NH1 ARG A 39 -8.512 10.935 -7.516 1.00 21.34 N ATOM 626 NH2 ARG A 39 -7.085 12.646 -8.061 1.00 5.34 N ATOM 0 H ARG A 39 -4.633 8.370 -2.159 1.00 63.34 H new ATOM 0 HA ARG A 39 -4.738 11.247 -1.791 1.00 12.42 H new ATOM 0 HB2 ARG A 39 -5.172 10.298 -3.989 1.00 71.42 H new ATOM 0 HB3 ARG A 39 -6.404 9.232 -3.343 1.00 71.42 H new ATOM 0 HG2 ARG A 39 -7.742 11.278 -2.696 1.00 75.42 H new ATOM 0 HG3 ARG A 39 -6.546 12.264 -3.513 1.00 75.42 H new ATOM 0 HD2 ARG A 39 -7.595 9.992 -5.119 1.00 71.54 H new ATOM 0 HD3 ARG A 39 -8.786 11.210 -4.707 1.00 71.54 H new ATOM 0 HE ARG A 39 -6.498 12.594 -5.644 1.00 10.43 H new ATOM 0 HH11 ARG A 39 -8.911 10.303 -6.822 1.00 21.34 H new ATOM 0 HH12 ARG A 39 -8.815 10.882 -8.488 1.00 21.34 H new ATOM 0 HH21 ARG A 39 -6.383 13.334 -7.787 1.00 5.34 H new ATOM 0 HH22 ARG A 39 -7.391 12.589 -9.032 1.00 5.34 H new ATOM 640 N GLU A 40 -6.997 9.218 -0.488 1.00 40.42 N ATOM 641 CA GLU A 40 -8.054 9.130 0.512 1.00 40.01 C ATOM 642 C GLU A 40 -7.609 9.760 1.830 1.00 54.12 C ATOM 643 O GLU A 40 -8.307 10.605 2.393 1.00 40.11 O ATOM 644 CB GLU A 40 -8.450 7.670 0.741 1.00 64.45 C ATOM 645 CG GLU A 40 -9.897 7.491 1.168 1.00 22.24 C ATOM 646 CD GLU A 40 -10.874 8.133 0.204 1.00 0.52 C ATOM 647 OE1 GLU A 40 -11.049 7.596 -0.910 1.00 13.44 O ATOM 648 OE2 GLU A 40 -11.464 9.174 0.563 1.00 32.10 O ATOM 0 H GLU A 40 -6.759 8.330 -0.930 1.00 40.42 H new ATOM 0 HA GLU A 40 -8.919 9.679 0.139 1.00 40.01 H new ATOM 0 HB2 GLU A 40 -8.279 7.108 -0.177 1.00 64.45 H new ATOM 0 HB3 GLU A 40 -7.799 7.241 1.503 1.00 64.45 H new ATOM 0 HG2 GLU A 40 -10.119 6.427 1.249 1.00 22.24 H new ATOM 0 HG3 GLU A 40 -10.035 7.922 2.160 1.00 22.24 H new ATOM 655 N LEU A 41 -6.446 9.342 2.315 1.00 0.32 N ATOM 656 CA LEU A 41 -5.907 9.864 3.566 1.00 54.51 C ATOM 657 C LEU A 41 -5.913 11.389 3.567 1.00 14.23 C ATOM 658 O LEU A 41 -6.200 12.017 4.586 1.00 0.11 O ATOM 659 CB LEU A 41 -4.485 9.348 3.787 1.00 43.11 C ATOM 660 CG LEU A 41 -4.359 7.883 4.205 1.00 72.02 C ATOM 661 CD1 LEU A 41 -2.901 7.451 4.208 1.00 2.20 C ATOM 662 CD2 LEU A 41 -4.986 7.662 5.573 1.00 1.01 C ATOM 0 H LEU A 41 -5.858 8.643 1.861 1.00 0.32 H new ATOM 0 HA LEU A 41 -6.543 9.516 4.380 1.00 54.51 H new ATOM 0 HB2 LEU A 41 -3.921 9.492 2.866 1.00 43.11 H new ATOM 0 HB3 LEU A 41 -4.011 9.965 4.551 1.00 43.11 H new ATOM 0 HG LEU A 41 -4.895 7.272 3.479 1.00 72.02 H new ATOM 0 HD11 LEU A 41 -2.832 6.405 4.508 1.00 2.20 H new ATOM 0 HD12 LEU A 41 -2.484 7.570 3.208 1.00 2.20 H new ATOM 0 HD13 LEU A 41 -2.340 8.068 4.910 1.00 2.20 H new ATOM 0 HD21 LEU A 41 -4.887 6.613 5.854 1.00 1.01 H new ATOM 0 HD22 LEU A 41 -4.479 8.285 6.310 1.00 1.01 H new ATOM 0 HD23 LEU A 41 -6.042 7.929 5.537 1.00 1.01 H new ATOM 674 N GLU A 42 -5.596 11.978 2.418 1.00 12.02 N ATOM 675 CA GLU A 42 -5.567 13.430 2.287 1.00 13.14 C ATOM 676 C GLU A 42 -6.920 14.037 2.650 1.00 65.32 C ATOM 677 O GLU A 42 -6.998 15.174 3.115 1.00 61.43 O ATOM 678 CB GLU A 42 -5.183 13.828 0.861 1.00 1.13 C ATOM 679 CG GLU A 42 -4.543 15.204 0.764 1.00 71.44 C ATOM 680 CD GLU A 42 -4.296 15.632 -0.669 1.00 53.23 C ATOM 681 OE1 GLU A 42 -4.925 15.053 -1.580 1.00 3.43 O ATOM 682 OE2 GLU A 42 -3.473 16.547 -0.881 1.00 2.33 O ATOM 0 H GLU A 42 -5.356 11.472 1.565 1.00 12.02 H new ATOM 0 HA GLU A 42 -4.818 13.816 2.978 1.00 13.14 H new ATOM 0 HB2 GLU A 42 -4.493 13.086 0.459 1.00 1.13 H new ATOM 0 HB3 GLU A 42 -6.074 13.806 0.234 1.00 1.13 H new ATOM 0 HG2 GLU A 42 -5.187 15.935 1.252 1.00 71.44 H new ATOM 0 HG3 GLU A 42 -3.597 15.200 1.306 1.00 71.44 H new ATOM 689 N ARG A 43 -7.983 13.270 2.432 1.00 61.44 N ATOM 690 CA ARG A 43 -9.333 13.731 2.732 1.00 20.03 C ATOM 691 C ARG A 43 -9.728 13.363 4.159 1.00 20.15 C ATOM 692 O ARG A 43 -10.641 13.956 4.735 1.00 20.24 O ATOM 693 CB ARG A 43 -10.333 13.129 1.744 1.00 22.51 C ATOM 694 CG ARG A 43 -11.626 13.919 1.628 1.00 42.52 C ATOM 695 CD ARG A 43 -11.975 14.206 0.176 1.00 12.51 C ATOM 696 NE ARG A 43 -12.918 15.314 0.048 1.00 25.31 N ATOM 697 CZ ARG A 43 -12.573 16.590 0.180 1.00 14.43 C ATOM 698 NH1 ARG A 43 -11.316 16.918 0.441 1.00 70.20 N ATOM 699 NH2 ARG A 43 -13.489 17.542 0.050 1.00 30.21 N ATOM 0 H ARG A 43 -7.935 12.326 2.049 1.00 61.44 H new ATOM 0 HA ARG A 43 -9.348 14.817 2.637 1.00 20.03 H new ATOM 0 HB2 ARG A 43 -9.866 13.066 0.761 1.00 22.51 H new ATOM 0 HB3 ARG A 43 -10.566 12.110 2.052 1.00 22.51 H new ATOM 0 HG2 ARG A 43 -12.438 13.361 2.095 1.00 42.52 H new ATOM 0 HG3 ARG A 43 -11.530 14.858 2.173 1.00 42.52 H new ATOM 0 HD2 ARG A 43 -11.065 14.439 -0.376 1.00 12.51 H new ATOM 0 HD3 ARG A 43 -12.403 13.312 -0.278 1.00 12.51 H new ATOM 0 HE ARG A 43 -13.894 15.096 -0.154 1.00 25.31 H new ATOM 0 HH11 ARG A 43 -10.609 16.190 0.541 1.00 70.20 H new ATOM 0 HH12 ARG A 43 -11.055 17.899 0.542 1.00 70.20 H new ATOM 0 HH21 ARG A 43 -14.458 17.294 -0.151 1.00 30.21 H new ATOM 0 HH22 ARG A 43 -13.224 18.522 0.151 1.00 30.21 H new ATOM 713 N PHE A 44 -9.034 12.381 4.725 1.00 24.52 N ATOM 714 CA PHE A 44 -9.312 11.932 6.085 1.00 53.25 C ATOM 715 C PHE A 44 -8.425 12.661 7.091 1.00 72.03 C ATOM 716 O PHE A 44 -8.061 12.107 8.128 1.00 52.21 O ATOM 717 CB PHE A 44 -9.100 10.422 6.200 1.00 30.54 C ATOM 718 CG PHE A 44 -10.292 9.615 5.773 1.00 24.41 C ATOM 719 CD1 PHE A 44 -11.541 9.856 6.323 1.00 74.03 C ATOM 720 CD2 PHE A 44 -10.163 8.613 4.824 1.00 34.13 C ATOM 721 CE1 PHE A 44 -12.641 9.115 5.932 1.00 31.32 C ATOM 722 CE2 PHE A 44 -11.259 7.869 4.430 1.00 74.33 C ATOM 723 CZ PHE A 44 -12.499 8.119 4.985 1.00 50.04 C ATOM 0 H PHE A 44 -8.275 11.881 4.263 1.00 24.52 H new ATOM 0 HA PHE A 44 -10.353 12.163 6.311 1.00 53.25 H new ATOM 0 HB2 PHE A 44 -8.241 10.136 5.592 1.00 30.54 H new ATOM 0 HB3 PHE A 44 -8.855 10.175 7.233 1.00 30.54 H new ATOM 0 HD1 PHE A 44 -11.657 10.632 7.066 1.00 74.03 H new ATOM 0 HD2 PHE A 44 -9.196 8.412 4.388 1.00 34.13 H new ATOM 0 HE1 PHE A 44 -13.610 9.314 6.366 1.00 31.32 H new ATOM 0 HE2 PHE A 44 -11.146 7.092 3.688 1.00 74.33 H new ATOM 0 HZ PHE A 44 -13.356 7.537 4.679 1.00 50.04 H new ATOM 733 N ALA A 45 -8.080 13.904 6.774 1.00 14.50 N ATOM 734 CA ALA A 45 -7.237 14.710 7.649 1.00 33.52 C ATOM 735 C ALA A 45 -5.958 13.965 8.016 1.00 73.11 C ATOM 736 O ALA A 45 -5.328 14.256 9.033 1.00 74.03 O ATOM 737 CB ALA A 45 -8.001 15.099 8.906 1.00 34.00 C ATOM 0 H ALA A 45 -8.371 14.375 5.918 1.00 14.50 H new ATOM 0 HA ALA A 45 -6.958 15.616 7.111 1.00 33.52 H new ATOM 0 HB1 ALA A 45 -7.360 15.700 9.550 1.00 34.00 H new ATOM 0 HB2 ALA A 45 -8.883 15.677 8.631 1.00 34.00 H new ATOM 0 HB3 ALA A 45 -8.308 14.199 9.438 1.00 34.00 H new ATOM 743 N VAL A 46 -5.579 13.003 7.181 1.00 33.13 N ATOM 744 CA VAL A 46 -4.374 12.217 7.417 1.00 23.54 C ATOM 745 C VAL A 46 -3.371 12.392 6.282 1.00 73.33 C ATOM 746 O VAL A 46 -3.684 12.137 5.120 1.00 71.52 O ATOM 747 CB VAL A 46 -4.701 10.719 7.571 1.00 33.42 C ATOM 748 CG1 VAL A 46 -3.425 9.904 7.708 1.00 12.45 C ATOM 749 CG2 VAL A 46 -5.619 10.494 8.764 1.00 43.11 C ATOM 0 H VAL A 46 -6.089 12.749 6.335 1.00 33.13 H new ATOM 0 HA VAL A 46 -3.935 12.583 8.345 1.00 23.54 H new ATOM 0 HB VAL A 46 -5.221 10.385 6.673 1.00 33.42 H new ATOM 0 HG11 VAL A 46 -3.677 8.849 7.816 1.00 12.45 H new ATOM 0 HG12 VAL A 46 -2.809 10.041 6.820 1.00 12.45 H new ATOM 0 HG13 VAL A 46 -2.873 10.237 8.587 1.00 12.45 H new ATOM 0 HG21 VAL A 46 -5.840 9.431 8.858 1.00 43.11 H new ATOM 0 HG22 VAL A 46 -5.128 10.844 9.672 1.00 43.11 H new ATOM 0 HG23 VAL A 46 -6.548 11.046 8.618 1.00 43.11 H new ATOM 759 N ASN A 47 -2.165 12.829 6.627 1.00 11.02 N ATOM 760 CA ASN A 47 -1.115 13.039 5.636 1.00 12.54 C ATOM 761 C ASN A 47 -0.666 11.713 5.031 1.00 54.14 C ATOM 762 O ASN A 47 -0.489 10.713 5.726 1.00 22.02 O ATOM 763 CB ASN A 47 0.079 13.753 6.273 1.00 45.31 C ATOM 764 CG ASN A 47 0.068 15.247 6.007 1.00 31.11 C ATOM 765 OD1 ASN A 47 0.926 15.768 5.295 1.00 72.23 O ATOM 766 ND2 ASN A 47 -0.906 15.942 6.582 1.00 5.04 N ATOM 0 H ASN A 47 -1.890 13.045 7.585 1.00 11.02 H new ATOM 0 HA ASN A 47 -1.520 13.663 4.839 1.00 12.54 H new ATOM 0 HB2 ASN A 47 0.072 13.578 7.349 1.00 45.31 H new ATOM 0 HB3 ASN A 47 1.004 13.325 5.886 1.00 45.31 H new ATOM 0 HD21 ASN A 47 -0.965 16.951 6.441 1.00 5.04 H new ATOM 0 HD22 ASN A 47 -1.596 15.467 7.165 1.00 5.04 H new ATOM 773 N PRO A 48 -0.478 11.704 3.703 1.00 72.24 N ATOM 774 CA PRO A 48 -0.046 10.508 2.973 1.00 71.53 C ATOM 775 C PRO A 48 1.400 10.133 3.280 1.00 61.11 C ATOM 776 O PRO A 48 1.898 9.108 2.814 1.00 33.03 O ATOM 777 CB PRO A 48 -0.192 10.916 1.505 1.00 62.33 C ATOM 778 CG PRO A 48 -0.072 12.401 1.511 1.00 71.14 C ATOM 779 CD PRO A 48 -0.671 12.860 2.811 1.00 21.14 C ATOM 0 HA PRO A 48 -0.632 9.630 3.246 1.00 71.53 H new ATOM 0 HB2 PRO A 48 0.582 10.459 0.888 1.00 62.33 H new ATOM 0 HB3 PRO A 48 -1.152 10.598 1.099 1.00 62.33 H new ATOM 0 HG2 PRO A 48 0.971 12.708 1.432 1.00 71.14 H new ATOM 0 HG3 PRO A 48 -0.599 12.838 0.663 1.00 71.14 H new ATOM 0 HD2 PRO A 48 -0.170 13.750 3.192 1.00 21.14 H new ATOM 0 HD3 PRO A 48 -1.726 13.111 2.701 1.00 21.14 H new ATOM 787 N GLY A 49 2.070 10.969 4.067 1.00 13.11 N ATOM 788 CA GLY A 49 3.452 10.707 4.422 1.00 32.24 C ATOM 789 C GLY A 49 3.583 9.646 5.497 1.00 23.34 C ATOM 790 O GLY A 49 4.673 9.416 6.024 1.00 71.43 O ATOM 0 H GLY A 49 1.680 11.823 4.465 1.00 13.11 H new ATOM 0 HA2 GLY A 49 3.998 10.389 3.534 1.00 32.24 H new ATOM 0 HA3 GLY A 49 3.916 11.630 4.769 1.00 32.24 H new ATOM 794 N LEU A 50 2.470 8.999 5.826 1.00 44.10 N ATOM 795 CA LEU A 50 2.465 7.957 6.848 1.00 61.34 C ATOM 796 C LEU A 50 2.684 6.582 6.224 1.00 43.11 C ATOM 797 O LEU A 50 2.973 5.610 6.923 1.00 33.12 O ATOM 798 CB LEU A 50 1.142 7.975 7.615 1.00 24.13 C ATOM 799 CG LEU A 50 0.823 9.264 8.372 1.00 41.54 C ATOM 800 CD1 LEU A 50 -0.579 9.208 8.958 1.00 65.52 C ATOM 801 CD2 LEU A 50 1.852 9.509 9.467 1.00 11.42 C ATOM 0 H LEU A 50 1.560 9.177 5.401 1.00 44.10 H new ATOM 0 HA LEU A 50 3.283 8.157 7.540 1.00 61.34 H new ATOM 0 HB2 LEU A 50 0.334 7.782 6.910 1.00 24.13 H new ATOM 0 HB3 LEU A 50 1.147 7.150 8.328 1.00 24.13 H new ATOM 0 HG LEU A 50 0.866 10.095 7.668 1.00 41.54 H new ATOM 0 HD11 LEU A 50 -0.787 10.135 9.493 1.00 65.52 H new ATOM 0 HD12 LEU A 50 -1.305 9.082 8.154 1.00 65.52 H new ATOM 0 HD13 LEU A 50 -0.652 8.367 9.647 1.00 65.52 H new ATOM 0 HD21 LEU A 50 1.609 10.431 9.995 1.00 11.42 H new ATOM 0 HD22 LEU A 50 1.842 8.675 10.169 1.00 11.42 H new ATOM 0 HD23 LEU A 50 2.843 9.597 9.022 1.00 11.42 H new ATOM 813 N LEU A 51 2.549 6.508 4.904 1.00 0.51 N ATOM 814 CA LEU A 51 2.735 5.253 4.185 1.00 10.40 C ATOM 815 C LEU A 51 4.217 4.964 3.968 1.00 45.32 C ATOM 816 O LEU A 51 4.586 3.892 3.490 1.00 43.33 O ATOM 817 CB LEU A 51 2.011 5.302 2.838 1.00 15.02 C ATOM 818 CG LEU A 51 0.542 5.727 2.881 1.00 4.10 C ATOM 819 CD1 LEU A 51 0.171 6.488 1.617 1.00 14.25 C ATOM 820 CD2 LEU A 51 -0.359 4.515 3.061 1.00 73.14 C ATOM 0 H LEU A 51 2.311 7.303 4.310 1.00 0.51 H new ATOM 0 HA LEU A 51 2.312 4.451 4.789 1.00 10.40 H new ATOM 0 HB2 LEU A 51 2.548 5.989 2.184 1.00 15.02 H new ATOM 0 HB3 LEU A 51 2.070 4.314 2.380 1.00 15.02 H new ATOM 0 HG LEU A 51 0.399 6.389 3.735 1.00 4.10 H new ATOM 0 HD11 LEU A 51 -0.877 6.783 1.664 1.00 14.25 H new ATOM 0 HD12 LEU A 51 0.795 7.378 1.532 1.00 14.25 H new ATOM 0 HD13 LEU A 51 0.329 5.849 0.748 1.00 14.25 H new ATOM 0 HD21 LEU A 51 -1.400 4.837 3.089 1.00 73.14 H new ATOM 0 HD22 LEU A 51 -0.214 3.827 2.228 1.00 73.14 H new ATOM 0 HD23 LEU A 51 -0.109 4.011 3.995 1.00 73.14 H new ATOM 832 N GLU A 52 5.060 5.927 4.324 1.00 44.53 N ATOM 833 CA GLU A 52 6.503 5.775 4.169 1.00 12.44 C ATOM 834 C GLU A 52 7.161 5.437 5.504 1.00 70.03 C ATOM 835 O GLU A 52 8.193 6.005 5.864 1.00 73.25 O ATOM 836 CB GLU A 52 7.115 7.055 3.597 1.00 12.41 C ATOM 837 CG GLU A 52 6.693 8.314 4.335 1.00 42.45 C ATOM 838 CD GLU A 52 7.448 9.545 3.869 1.00 22.51 C ATOM 839 OE1 GLU A 52 7.817 9.599 2.678 1.00 71.55 O ATOM 840 OE2 GLU A 52 7.669 10.454 4.697 1.00 33.50 O ATOM 0 H GLU A 52 4.770 6.820 4.722 1.00 44.53 H new ATOM 0 HA GLU A 52 6.683 4.953 3.476 1.00 12.44 H new ATOM 0 HB2 GLU A 52 8.202 6.973 3.627 1.00 12.41 H new ATOM 0 HB3 GLU A 52 6.831 7.146 2.549 1.00 12.41 H new ATOM 0 HG2 GLU A 52 5.624 8.473 4.193 1.00 42.45 H new ATOM 0 HG3 GLU A 52 6.856 8.176 5.404 1.00 42.45 H new ATOM 847 N THR A 53 6.555 4.507 6.236 1.00 23.22 N ATOM 848 CA THR A 53 7.079 4.093 7.531 1.00 4.35 C ATOM 849 C THR A 53 6.261 2.947 8.116 1.00 61.23 C ATOM 850 O THR A 53 5.046 3.059 8.278 1.00 62.22 O ATOM 851 CB THR A 53 7.091 5.263 8.533 1.00 51.41 C ATOM 852 OG1 THR A 53 6.944 4.768 9.868 1.00 34.43 O ATOM 853 CG2 THR A 53 5.972 6.248 8.226 1.00 5.13 C ATOM 0 H THR A 53 5.701 4.027 5.953 1.00 23.22 H new ATOM 0 HA THR A 53 8.102 3.757 7.364 1.00 4.35 H new ATOM 0 HB THR A 53 8.046 5.780 8.442 1.00 51.41 H new ATOM 0 HG1 THR A 53 6.954 5.518 10.498 1.00 34.43 H new ATOM 0 HG21 THR A 53 6.000 7.066 8.946 1.00 5.13 H new ATOM 0 HG22 THR A 53 6.103 6.646 7.220 1.00 5.13 H new ATOM 0 HG23 THR A 53 5.011 5.739 8.292 1.00 5.13 H new ATOM 861 N SER A 54 6.935 1.845 8.430 1.00 13.12 N ATOM 862 CA SER A 54 6.269 0.677 8.994 1.00 61.11 C ATOM 863 C SER A 54 5.440 1.061 10.216 1.00 33.43 C ATOM 864 O SER A 54 4.351 0.530 10.432 1.00 20.12 O ATOM 865 CB SER A 54 7.298 -0.389 9.377 1.00 52.23 C ATOM 866 OG SER A 54 7.551 -0.377 10.771 1.00 53.41 O ATOM 0 H SER A 54 7.941 1.737 8.303 1.00 13.12 H new ATOM 0 HA SER A 54 5.600 0.270 8.235 1.00 61.11 H new ATOM 0 HB2 SER A 54 6.935 -1.373 9.079 1.00 52.23 H new ATOM 0 HB3 SER A 54 8.227 -0.214 8.834 1.00 52.23 H new ATOM 0 HG SER A 54 8.210 -1.068 10.990 1.00 53.41 H new ATOM 872 N GLU A 55 5.965 1.988 11.012 1.00 62.31 N ATOM 873 CA GLU A 55 5.274 2.442 12.213 1.00 31.40 C ATOM 874 C GLU A 55 4.126 3.382 11.857 1.00 2.01 C ATOM 875 O GLU A 55 3.137 3.474 12.584 1.00 62.23 O ATOM 876 CB GLU A 55 6.252 3.148 13.155 1.00 24.31 C ATOM 877 CG GLU A 55 7.313 2.225 13.732 1.00 12.24 C ATOM 878 CD GLU A 55 8.701 2.833 13.688 1.00 44.22 C ATOM 879 OE1 GLU A 55 9.228 3.031 12.573 1.00 14.50 O ATOM 880 OE2 GLU A 55 9.262 3.112 14.770 1.00 74.11 O ATOM 0 H GLU A 55 6.865 2.438 10.847 1.00 62.31 H new ATOM 0 HA GLU A 55 4.862 1.568 12.717 1.00 31.40 H new ATOM 0 HB2 GLU A 55 6.742 3.959 12.616 1.00 24.31 H new ATOM 0 HB3 GLU A 55 5.693 3.601 13.973 1.00 24.31 H new ATOM 0 HG2 GLU A 55 7.058 1.985 14.764 1.00 12.24 H new ATOM 0 HG3 GLU A 55 7.314 1.287 13.177 1.00 12.24 H new ATOM 887 N GLY A 56 4.266 4.079 10.734 1.00 41.32 N ATOM 888 CA GLY A 56 3.234 5.004 10.301 1.00 4.05 C ATOM 889 C GLY A 56 1.957 4.297 9.893 1.00 2.42 C ATOM 890 O GLY A 56 0.860 4.731 10.246 1.00 0.04 O ATOM 0 H GLY A 56 5.075 4.020 10.116 1.00 41.32 H new ATOM 0 HA2 GLY A 56 3.016 5.704 11.107 1.00 4.05 H new ATOM 0 HA3 GLY A 56 3.605 5.591 9.461 1.00 4.05 H new ATOM 894 N CYS A 57 2.098 3.208 9.146 1.00 31.11 N ATOM 895 CA CYS A 57 0.945 2.441 8.688 1.00 65.55 C ATOM 896 C CYS A 57 0.121 1.938 9.868 1.00 22.45 C ATOM 897 O CYS A 57 -1.046 2.297 10.021 1.00 4.43 O ATOM 898 CB CYS A 57 1.401 1.260 7.829 1.00 44.45 C ATOM 899 SG CYS A 57 1.878 1.715 6.144 1.00 24.31 S ATOM 0 H CYS A 57 2.999 2.836 8.845 1.00 31.11 H new ATOM 0 HA CYS A 57 0.319 3.099 8.086 1.00 65.55 H new ATOM 0 HB2 CYS A 57 2.247 0.775 8.316 1.00 44.45 H new ATOM 0 HB3 CYS A 57 0.596 0.526 7.782 1.00 44.45 H new ATOM 0 HG CYS A 57 3.042 1.205 5.870 1.00 24.31 H new ATOM 905 N ARG A 58 0.738 1.103 10.699 1.00 15.20 N ATOM 906 CA ARG A 58 0.061 0.548 11.865 1.00 15.22 C ATOM 907 C ARG A 58 -0.656 1.643 12.651 1.00 74.44 C ATOM 908 O ARG A 58 -1.785 1.456 13.103 1.00 42.42 O ATOM 909 CB ARG A 58 1.063 -0.171 12.770 1.00 42.33 C ATOM 910 CG ARG A 58 0.578 -1.525 13.260 1.00 23.10 C ATOM 911 CD ARG A 58 0.626 -1.618 14.778 1.00 45.51 C ATOM 912 NE ARG A 58 -0.462 -0.874 15.406 1.00 13.12 N ATOM 913 CZ ARG A 58 -1.698 -1.346 15.534 1.00 65.20 C ATOM 914 NH1 ARG A 58 -1.998 -2.555 15.080 1.00 12.12 N ATOM 915 NH2 ARG A 58 -2.634 -0.609 16.117 1.00 21.22 N ATOM 0 H ARG A 58 1.704 0.797 10.586 1.00 15.20 H new ATOM 0 HA ARG A 58 -0.681 -0.169 11.515 1.00 15.22 H new ATOM 0 HB2 ARG A 58 1.999 -0.304 12.228 1.00 42.33 H new ATOM 0 HB3 ARG A 58 1.281 0.461 13.631 1.00 42.33 H new ATOM 0 HG2 ARG A 58 -0.443 -1.693 12.916 1.00 23.10 H new ATOM 0 HG3 ARG A 58 1.195 -2.312 12.826 1.00 23.10 H new ATOM 0 HD2 ARG A 58 0.571 -2.664 15.079 1.00 45.51 H new ATOM 0 HD3 ARG A 58 1.581 -1.233 15.135 1.00 45.51 H new ATOM 0 HE ARG A 58 -0.263 0.059 15.766 1.00 13.12 H new ATOM 0 HH11 ARG A 58 -1.280 -3.124 14.632 1.00 12.12 H new ATOM 0 HH12 ARG A 58 -2.947 -2.916 15.179 1.00 12.12 H new ATOM 0 HH21 ARG A 58 -2.406 0.321 16.468 1.00 21.22 H new ATOM 0 HH22 ARG A 58 -3.582 -0.972 16.215 1.00 21.22 H new ATOM 929 N GLN A 59 0.009 2.782 12.807 1.00 11.20 N ATOM 930 CA GLN A 59 -0.564 3.906 13.539 1.00 11.24 C ATOM 931 C GLN A 59 -1.859 4.377 12.886 1.00 12.21 C ATOM 932 O GLN A 59 -2.860 4.609 13.565 1.00 21.41 O ATOM 933 CB GLN A 59 0.436 5.061 13.607 1.00 25.12 C ATOM 934 CG GLN A 59 0.836 5.438 15.025 1.00 21.31 C ATOM 935 CD GLN A 59 2.337 5.578 15.191 1.00 72.32 C ATOM 936 OE1 GLN A 59 3.029 4.616 15.521 1.00 24.43 O ATOM 937 NE2 GLN A 59 2.848 6.782 14.961 1.00 72.45 N ATOM 0 H GLN A 59 0.944 2.952 12.437 1.00 11.20 H new ATOM 0 HA GLN A 59 -0.790 3.570 14.551 1.00 11.24 H new ATOM 0 HB2 GLN A 59 1.330 4.790 13.046 1.00 25.12 H new ATOM 0 HB3 GLN A 59 0.005 5.933 13.116 1.00 25.12 H new ATOM 0 HG2 GLN A 59 0.355 6.378 15.296 1.00 21.31 H new ATOM 0 HG3 GLN A 59 0.467 4.680 15.716 1.00 21.31 H new ATOM 0 HE21 GLN A 59 2.237 7.552 14.689 1.00 72.45 H new ATOM 0 HE22 GLN A 59 3.852 6.937 15.056 1.00 72.45 H new ATOM 946 N ILE A 60 -1.832 4.518 11.565 1.00 13.45 N ATOM 947 CA ILE A 60 -3.005 4.961 10.821 1.00 1.00 C ATOM 948 C ILE A 60 -4.216 4.089 11.132 1.00 11.00 C ATOM 949 O ILE A 60 -5.318 4.593 11.353 1.00 60.22 O ATOM 950 CB ILE A 60 -2.748 4.941 9.302 1.00 75.11 C ATOM 951 CG1 ILE A 60 -1.604 5.892 8.944 1.00 72.53 C ATOM 952 CG2 ILE A 60 -4.014 5.317 8.546 1.00 13.51 C ATOM 953 CD1 ILE A 60 -0.759 5.409 7.785 1.00 14.51 C ATOM 0 H ILE A 60 -1.012 4.332 10.988 1.00 13.45 H new ATOM 0 HA ILE A 60 -3.209 5.985 11.134 1.00 1.00 H new ATOM 0 HB ILE A 60 -2.460 3.931 9.010 1.00 75.11 H new ATOM 0 HG12 ILE A 60 -2.018 6.870 8.699 1.00 72.53 H new ATOM 0 HG13 ILE A 60 -0.966 6.026 9.818 1.00 72.53 H new ATOM 0 HG21 ILE A 60 -3.817 5.299 7.474 1.00 13.51 H new ATOM 0 HG22 ILE A 60 -4.804 4.604 8.782 1.00 13.51 H new ATOM 0 HG23 ILE A 60 -4.329 6.318 8.840 1.00 13.51 H new ATOM 0 HD11 ILE A 60 0.033 6.131 7.586 1.00 14.51 H new ATOM 0 HD12 ILE A 60 -0.316 4.445 8.035 1.00 14.51 H new ATOM 0 HD13 ILE A 60 -1.384 5.302 6.899 1.00 14.51 H new ATOM 965 N LEU A 61 -4.005 2.778 11.151 1.00 64.31 N ATOM 966 CA LEU A 61 -5.079 1.833 11.438 1.00 3.32 C ATOM 967 C LEU A 61 -5.756 2.164 12.764 1.00 42.20 C ATOM 968 O LEU A 61 -6.961 1.976 12.921 1.00 40.44 O ATOM 969 CB LEU A 61 -4.532 0.405 11.474 1.00 1.24 C ATOM 970 CG LEU A 61 -3.778 -0.057 10.227 1.00 24.34 C ATOM 971 CD1 LEU A 61 -2.953 -1.298 10.532 1.00 61.21 C ATOM 972 CD2 LEU A 61 -4.748 -0.326 9.086 1.00 22.02 C ATOM 0 H LEU A 61 -3.099 2.344 10.971 1.00 64.31 H new ATOM 0 HA LEU A 61 -5.821 1.912 10.643 1.00 3.32 H new ATOM 0 HB2 LEU A 61 -3.865 0.314 12.332 1.00 1.24 H new ATOM 0 HB3 LEU A 61 -5.365 -0.277 11.644 1.00 1.24 H new ATOM 0 HG LEU A 61 -3.100 0.739 9.920 1.00 24.34 H new ATOM 0 HD11 LEU A 61 -2.423 -1.613 9.633 1.00 61.21 H new ATOM 0 HD12 LEU A 61 -2.232 -1.072 11.318 1.00 61.21 H new ATOM 0 HD13 LEU A 61 -3.612 -2.100 10.864 1.00 61.21 H new ATOM 0 HD21 LEU A 61 -4.194 -0.654 8.207 1.00 22.02 H new ATOM 0 HD22 LEU A 61 -5.452 -1.104 9.382 1.00 22.02 H new ATOM 0 HD23 LEU A 61 -5.295 0.587 8.850 1.00 22.02 H new ATOM 984 N GLY A 62 -4.971 2.661 13.715 1.00 2.21 N ATOM 985 CA GLY A 62 -5.513 3.014 15.014 1.00 2.02 C ATOM 986 C GLY A 62 -6.565 4.101 14.929 1.00 62.20 C ATOM 987 O GLY A 62 -7.499 4.133 15.730 1.00 52.24 O ATOM 0 H GLY A 62 -3.970 2.825 13.609 1.00 2.21 H new ATOM 0 HA2 GLY A 62 -5.948 2.127 15.475 1.00 2.02 H new ATOM 0 HA3 GLY A 62 -4.703 3.347 15.663 1.00 2.02 H new ATOM 991 N GLN A 63 -6.413 4.994 13.956 1.00 11.54 N ATOM 992 CA GLN A 63 -7.358 6.090 13.771 1.00 21.40 C ATOM 993 C GLN A 63 -8.627 5.602 13.081 1.00 30.05 C ATOM 994 O GLN A 63 -9.575 6.365 12.892 1.00 54.12 O ATOM 995 CB GLN A 63 -6.716 7.211 12.952 1.00 61.13 C ATOM 996 CG GLN A 63 -6.073 8.294 13.803 1.00 72.24 C ATOM 997 CD GLN A 63 -5.703 9.525 12.998 1.00 24.43 C ATOM 998 OE1 GLN A 63 -6.242 9.759 11.916 1.00 4.13 O ATOM 999 NE2 GLN A 63 -4.778 10.319 13.523 1.00 25.12 N ATOM 0 H GLN A 63 -5.646 4.980 13.284 1.00 11.54 H new ATOM 0 HA GLN A 63 -7.626 6.476 14.754 1.00 21.40 H new ATOM 0 HB2 GLN A 63 -5.961 6.782 12.293 1.00 61.13 H new ATOM 0 HB3 GLN A 63 -7.475 7.664 12.314 1.00 61.13 H new ATOM 0 HG2 GLN A 63 -6.759 8.579 14.601 1.00 72.24 H new ATOM 0 HG3 GLN A 63 -5.178 7.893 14.279 1.00 72.24 H new ATOM 0 HE21 GLN A 63 -4.357 10.087 14.423 1.00 25.12 H new ATOM 0 HE22 GLN A 63 -4.488 11.162 13.027 1.00 25.12 H new ATOM 1008 N LEU A 64 -8.640 4.327 12.708 1.00 12.22 N ATOM 1009 CA LEU A 64 -9.794 3.737 12.038 1.00 10.23 C ATOM 1010 C LEU A 64 -10.380 2.597 12.866 1.00 62.01 C ATOM 1011 O LEU A 64 -11.551 2.250 12.718 1.00 21.25 O ATOM 1012 CB LEU A 64 -9.398 3.226 10.652 1.00 12.45 C ATOM 1013 CG LEU A 64 -8.709 4.238 9.735 1.00 15.22 C ATOM 1014 CD1 LEU A 64 -8.472 3.636 8.359 1.00 32.41 C ATOM 1015 CD2 LEU A 64 -9.537 5.510 9.628 1.00 71.14 C ATOM 0 H LEU A 64 -7.864 3.682 12.858 1.00 12.22 H new ATOM 0 HA LEU A 64 -10.555 4.510 11.929 1.00 10.23 H new ATOM 0 HB2 LEU A 64 -8.735 2.370 10.778 1.00 12.45 H new ATOM 0 HB3 LEU A 64 -10.295 2.863 10.150 1.00 12.45 H new ATOM 0 HG LEU A 64 -7.742 4.493 10.168 1.00 15.22 H new ATOM 0 HD11 LEU A 64 -7.981 4.370 7.720 1.00 32.41 H new ATOM 0 HD12 LEU A 64 -7.838 2.754 8.452 1.00 32.41 H new ATOM 0 HD13 LEU A 64 -9.427 3.351 7.917 1.00 32.41 H new ATOM 0 HD21 LEU A 64 -9.032 6.219 8.972 1.00 71.14 H new ATOM 0 HD22 LEU A 64 -10.518 5.272 9.218 1.00 71.14 H new ATOM 0 HD23 LEU A 64 -9.655 5.952 10.617 1.00 71.14 H new ATOM 1027 N GLN A 65 -9.557 2.021 13.735 1.00 65.31 N ATOM 1028 CA GLN A 65 -9.993 0.920 14.586 1.00 0.53 C ATOM 1029 C GLN A 65 -11.292 1.271 15.305 1.00 13.24 C ATOM 1030 O GLN A 65 -12.313 0.600 15.157 1.00 72.32 O ATOM 1031 CB GLN A 65 -8.908 0.576 15.608 1.00 45.15 C ATOM 1032 CG GLN A 65 -9.456 0.030 16.917 1.00 64.03 C ATOM 1033 CD GLN A 65 -8.385 -0.621 17.770 1.00 34.24 C ATOM 1034 OE1 GLN A 65 -7.203 -0.298 17.657 1.00 11.33 O ATOM 1035 NE2 GLN A 65 -8.796 -1.543 18.633 1.00 24.41 N ATOM 0 H GLN A 65 -8.584 2.298 13.869 1.00 65.31 H new ATOM 0 HA GLN A 65 -10.172 0.052 13.951 1.00 0.53 H new ATOM 0 HB2 GLN A 65 -8.231 -0.159 15.173 1.00 45.15 H new ATOM 0 HB3 GLN A 65 -8.319 1.470 15.815 1.00 45.15 H new ATOM 0 HG2 GLN A 65 -9.920 0.841 17.479 1.00 64.03 H new ATOM 0 HG3 GLN A 65 -10.238 -0.698 16.704 1.00 64.03 H new ATOM 0 HE21 GLN A 65 -9.786 -1.780 18.693 1.00 24.41 H new ATOM 0 HE22 GLN A 65 -8.121 -2.014 19.236 1.00 24.41 H new ATOM 1044 N PRO A 66 -11.254 2.349 16.104 1.00 54.11 N ATOM 1045 CA PRO A 66 -12.420 2.813 16.862 1.00 44.33 C ATOM 1046 C PRO A 66 -13.502 3.398 15.960 1.00 22.11 C ATOM 1047 O PRO A 66 -14.590 3.740 16.422 1.00 21.24 O ATOM 1048 CB PRO A 66 -11.841 3.898 17.774 1.00 65.20 C ATOM 1049 CG PRO A 66 -10.629 4.386 17.059 1.00 4.12 C ATOM 1050 CD PRO A 66 -10.071 3.197 16.328 1.00 72.43 C ATOM 0 HA PRO A 66 -12.907 1.999 17.400 1.00 44.33 H new ATOM 0 HB2 PRO A 66 -12.557 4.704 17.935 1.00 65.20 H new ATOM 0 HB3 PRO A 66 -11.587 3.497 18.755 1.00 65.20 H new ATOM 0 HG2 PRO A 66 -10.882 5.187 16.365 1.00 4.12 H new ATOM 0 HG3 PRO A 66 -9.899 4.791 17.760 1.00 4.12 H new ATOM 0 HD2 PRO A 66 -9.601 3.487 15.388 1.00 72.43 H new ATOM 0 HD3 PRO A 66 -9.313 2.682 16.918 1.00 72.43 H new ATOM 1058 N SER A 67 -13.196 3.508 14.671 1.00 53.41 N ATOM 1059 CA SER A 67 -14.143 4.054 13.705 1.00 44.40 C ATOM 1060 C SER A 67 -14.777 2.941 12.878 1.00 53.14 C ATOM 1061 O SER A 67 -15.743 3.168 12.147 1.00 33.33 O ATOM 1062 CB SER A 67 -13.443 5.054 12.784 1.00 44.31 C ATOM 1063 OG SER A 67 -13.052 6.216 13.494 1.00 3.11 O ATOM 0 H SER A 67 -12.301 3.227 14.272 1.00 53.41 H new ATOM 0 HA SER A 67 -14.931 4.568 14.255 1.00 44.40 H new ATOM 0 HB2 SER A 67 -12.567 4.587 12.334 1.00 44.31 H new ATOM 0 HB3 SER A 67 -14.111 5.330 11.968 1.00 44.31 H new ATOM 0 HG SER A 67 -12.605 6.838 12.883 1.00 3.11 H new ATOM 1069 N LEU A 68 -14.228 1.737 12.997 1.00 52.44 N ATOM 1070 CA LEU A 68 -14.739 0.586 12.260 1.00 12.54 C ATOM 1071 C LEU A 68 -16.222 0.370 12.548 1.00 2.32 C ATOM 1072 O LEU A 68 -16.988 -0.004 11.661 1.00 11.32 O ATOM 1073 CB LEU A 68 -13.949 -0.671 12.626 1.00 50.34 C ATOM 1074 CG LEU A 68 -12.579 -0.819 11.961 1.00 35.31 C ATOM 1075 CD1 LEU A 68 -11.742 -1.859 12.690 1.00 41.11 C ATOM 1076 CD2 LEU A 68 -12.737 -1.193 10.494 1.00 3.34 C ATOM 0 H LEU A 68 -13.429 1.532 13.597 1.00 52.44 H new ATOM 0 HA LEU A 68 -14.619 0.785 11.195 1.00 12.54 H new ATOM 0 HB2 LEU A 68 -13.810 -0.687 13.707 1.00 50.34 H new ATOM 0 HB3 LEU A 68 -14.551 -1.542 12.369 1.00 50.34 H new ATOM 0 HG LEU A 68 -12.062 0.139 12.018 1.00 35.31 H new ATOM 0 HD11 LEU A 68 -10.771 -1.951 12.203 1.00 41.11 H new ATOM 0 HD12 LEU A 68 -11.601 -1.551 13.726 1.00 41.11 H new ATOM 0 HD13 LEU A 68 -12.254 -2.821 12.664 1.00 41.11 H new ATOM 0 HD21 LEU A 68 -11.753 -1.294 10.036 1.00 3.34 H new ATOM 0 HD22 LEU A 68 -13.273 -2.139 10.415 1.00 3.34 H new ATOM 0 HD23 LEU A 68 -13.299 -0.414 9.978 1.00 3.34 H new ATOM 1088 N GLN A 69 -16.618 0.609 13.795 1.00 44.55 N ATOM 1089 CA GLN A 69 -18.009 0.442 14.198 1.00 11.12 C ATOM 1090 C GLN A 69 -18.938 1.258 13.304 1.00 21.12 C ATOM 1091 O GLN A 69 -20.003 0.787 12.903 1.00 43.04 O ATOM 1092 CB GLN A 69 -18.191 0.860 15.658 1.00 34.24 C ATOM 1093 CG GLN A 69 -19.199 0.008 16.414 1.00 60.22 C ATOM 1094 CD GLN A 69 -20.356 0.820 16.962 1.00 31.42 C ATOM 1095 OE1 GLN A 69 -20.806 1.780 16.338 1.00 41.42 O ATOM 1096 NE2 GLN A 69 -20.845 0.436 18.136 1.00 62.14 N ATOM 0 H GLN A 69 -15.996 0.918 14.542 1.00 44.55 H new ATOM 0 HA GLN A 69 -18.267 -0.612 14.093 1.00 11.12 H new ATOM 0 HB2 GLN A 69 -17.228 0.805 16.166 1.00 34.24 H new ATOM 0 HB3 GLN A 69 -18.510 1.902 15.692 1.00 34.24 H new ATOM 0 HG2 GLN A 69 -19.585 -0.765 15.750 1.00 60.22 H new ATOM 0 HG3 GLN A 69 -18.695 -0.500 17.236 1.00 60.22 H new ATOM 0 HE21 GLN A 69 -20.441 -0.366 18.619 1.00 62.14 H new ATOM 0 HE22 GLN A 69 -21.625 0.944 18.554 1.00 62.14 H new ATOM 1105 N THR A 70 -18.528 2.484 12.996 1.00 40.14 N ATOM 1106 CA THR A 70 -19.323 3.366 12.150 1.00 3.34 C ATOM 1107 C THR A 70 -18.471 3.990 11.051 1.00 21.14 C ATOM 1108 O THR A 70 -18.455 5.208 10.881 1.00 3.23 O ATOM 1109 CB THR A 70 -19.982 4.489 12.974 1.00 63.32 C ATOM 1110 OG1 THR A 70 -18.988 5.190 13.730 1.00 31.31 O ATOM 1111 CG2 THR A 70 -21.037 3.925 13.913 1.00 71.34 C ATOM 0 H THR A 70 -17.650 2.889 13.320 1.00 40.14 H new ATOM 0 HA THR A 70 -20.102 2.752 11.697 1.00 3.34 H new ATOM 0 HB THR A 70 -20.466 5.179 12.283 1.00 63.32 H new ATOM 0 HG1 THR A 70 -19.415 5.903 14.249 1.00 31.31 H new ATOM 0 HG21 THR A 70 -21.488 4.737 14.484 1.00 71.34 H new ATOM 0 HG22 THR A 70 -21.808 3.418 13.332 1.00 71.34 H new ATOM 0 HG23 THR A 70 -20.573 3.215 14.597 1.00 71.34 H new ATOM 1119 N GLY A 71 -17.764 3.146 10.306 1.00 65.13 N ATOM 1120 CA GLY A 71 -16.919 3.633 9.232 1.00 53.15 C ATOM 1121 C GLY A 71 -17.509 3.362 7.862 1.00 65.12 C ATOM 1122 O GLY A 71 -18.000 2.264 7.596 1.00 3.13 O ATOM 0 H GLY A 71 -17.762 2.133 10.427 1.00 65.13 H new ATOM 0 HA2 GLY A 71 -16.765 4.705 9.352 1.00 53.15 H new ATOM 0 HA3 GLY A 71 -15.939 3.161 9.302 1.00 53.15 H new ATOM 1126 N SER A 72 -17.462 4.364 6.990 1.00 15.32 N ATOM 1127 CA SER A 72 -18.001 4.230 5.642 1.00 70.40 C ATOM 1128 C SER A 72 -17.155 3.270 4.811 1.00 62.30 C ATOM 1129 O SER A 72 -16.108 2.803 5.259 1.00 15.42 O ATOM 1130 CB SER A 72 -18.063 5.595 4.956 1.00 11.53 C ATOM 1131 OG SER A 72 -16.763 6.097 4.697 1.00 34.43 O ATOM 0 H SER A 72 -17.056 5.277 7.193 1.00 15.32 H new ATOM 0 HA SER A 72 -19.010 3.824 5.720 1.00 70.40 H new ATOM 0 HB2 SER A 72 -18.616 5.510 4.021 1.00 11.53 H new ATOM 0 HB3 SER A 72 -18.608 6.297 5.586 1.00 11.53 H new ATOM 0 HG SER A 72 -16.831 6.970 4.257 1.00 34.43 H new ATOM 1137 N GLU A 73 -17.617 2.979 3.600 1.00 51.45 N ATOM 1138 CA GLU A 73 -16.904 2.074 2.706 1.00 10.05 C ATOM 1139 C GLU A 73 -15.468 2.545 2.488 1.00 74.43 C ATOM 1140 O GLU A 73 -14.582 1.746 2.188 1.00 4.45 O ATOM 1141 CB GLU A 73 -17.629 1.971 1.363 1.00 62.42 C ATOM 1142 CG GLU A 73 -17.864 3.314 0.693 1.00 2.53 C ATOM 1143 CD GLU A 73 -18.722 3.202 -0.552 1.00 51.51 C ATOM 1144 OE1 GLU A 73 -18.169 2.901 -1.630 1.00 24.44 O ATOM 1145 OE2 GLU A 73 -19.948 3.418 -0.448 1.00 12.24 O ATOM 0 H GLU A 73 -18.483 3.357 3.215 1.00 51.45 H new ATOM 0 HA GLU A 73 -16.878 1.089 3.172 1.00 10.05 H new ATOM 0 HB2 GLU A 73 -17.047 1.337 0.693 1.00 62.42 H new ATOM 0 HB3 GLU A 73 -18.589 1.477 1.515 1.00 62.42 H new ATOM 0 HG2 GLU A 73 -18.344 3.990 1.401 1.00 2.53 H new ATOM 0 HG3 GLU A 73 -16.904 3.757 0.429 1.00 2.53 H new ATOM 1152 N GLU A 74 -15.250 3.847 2.640 1.00 45.04 N ATOM 1153 CA GLU A 74 -13.923 4.424 2.458 1.00 41.24 C ATOM 1154 C GLU A 74 -13.015 4.082 3.635 1.00 5.42 C ATOM 1155 O GLU A 74 -11.928 3.531 3.456 1.00 64.45 O ATOM 1156 CB GLU A 74 -14.021 5.944 2.299 1.00 31.53 C ATOM 1157 CG GLU A 74 -14.758 6.378 1.043 1.00 25.34 C ATOM 1158 CD GLU A 74 -14.734 7.881 0.844 1.00 5.22 C ATOM 1159 OE1 GLU A 74 -14.815 8.614 1.852 1.00 62.32 O ATOM 1160 OE2 GLU A 74 -14.635 8.324 -0.319 1.00 40.41 O ATOM 0 H GLU A 74 -15.974 4.522 2.888 1.00 45.04 H new ATOM 0 HA GLU A 74 -13.490 3.998 1.553 1.00 41.24 H new ATOM 0 HB2 GLU A 74 -14.528 6.360 3.170 1.00 31.53 H new ATOM 0 HB3 GLU A 74 -13.016 6.365 2.284 1.00 31.53 H new ATOM 0 HG2 GLU A 74 -14.309 5.893 0.176 1.00 25.34 H new ATOM 0 HG3 GLU A 74 -15.792 6.039 1.097 1.00 25.34 H new ATOM 1167 N LEU A 75 -13.466 4.414 4.840 1.00 55.02 N ATOM 1168 CA LEU A 75 -12.695 4.143 6.047 1.00 34.15 C ATOM 1169 C LEU A 75 -12.349 2.661 6.152 1.00 61.11 C ATOM 1170 O LEU A 75 -11.199 2.299 6.402 1.00 20.52 O ATOM 1171 CB LEU A 75 -13.478 4.584 7.286 1.00 42.22 C ATOM 1172 CG LEU A 75 -12.713 4.553 8.610 1.00 71.04 C ATOM 1173 CD1 LEU A 75 -13.114 5.730 9.485 1.00 51.32 C ATOM 1174 CD2 LEU A 75 -12.958 3.238 9.337 1.00 42.35 C ATOM 0 H LEU A 75 -14.362 4.872 5.006 1.00 55.02 H new ATOM 0 HA LEU A 75 -11.766 4.711 5.990 1.00 34.15 H new ATOM 0 HB2 LEU A 75 -13.838 5.600 7.121 1.00 42.22 H new ATOM 0 HB3 LEU A 75 -14.357 3.946 7.382 1.00 42.22 H new ATOM 0 HG LEU A 75 -11.648 4.633 8.394 1.00 71.04 H new ATOM 0 HD11 LEU A 75 -12.560 5.692 10.423 1.00 51.32 H new ATOM 0 HD12 LEU A 75 -12.887 6.662 8.967 1.00 51.32 H new ATOM 0 HD13 LEU A 75 -14.183 5.681 9.693 1.00 51.32 H new ATOM 0 HD21 LEU A 75 -12.406 3.234 10.277 1.00 42.35 H new ATOM 0 HD22 LEU A 75 -14.023 3.128 9.541 1.00 42.35 H new ATOM 0 HD23 LEU A 75 -12.621 2.410 8.714 1.00 42.35 H new ATOM 1186 N ARG A 76 -13.350 1.810 5.955 1.00 31.31 N ATOM 1187 CA ARG A 76 -13.150 0.367 6.026 1.00 14.20 C ATOM 1188 C ARG A 76 -12.044 -0.076 5.073 1.00 73.12 C ATOM 1189 O ARG A 76 -11.162 -0.848 5.448 1.00 44.11 O ATOM 1190 CB ARG A 76 -14.451 -0.366 5.691 1.00 12.42 C ATOM 1191 CG ARG A 76 -14.788 -1.485 6.662 1.00 24.25 C ATOM 1192 CD ARG A 76 -14.217 -2.816 6.197 1.00 14.32 C ATOM 1193 NE ARG A 76 -13.572 -3.545 7.286 1.00 74.42 N ATOM 1194 CZ ARG A 76 -13.308 -4.846 7.244 1.00 60.30 C ATOM 1195 NH1 ARG A 76 -13.632 -5.558 6.172 1.00 13.52 N ATOM 1196 NH2 ARG A 76 -12.718 -5.439 8.275 1.00 73.34 N ATOM 0 H ARG A 76 -14.307 2.094 5.745 1.00 31.31 H new ATOM 0 HA ARG A 76 -12.851 0.116 7.044 1.00 14.20 H new ATOM 0 HB2 ARG A 76 -15.270 0.353 5.680 1.00 12.42 H new ATOM 0 HB3 ARG A 76 -14.376 -0.780 4.685 1.00 12.42 H new ATOM 0 HG2 ARG A 76 -14.393 -1.243 7.649 1.00 24.25 H new ATOM 0 HG3 ARG A 76 -15.870 -1.567 6.763 1.00 24.25 H new ATOM 0 HD2 ARG A 76 -15.016 -3.426 5.776 1.00 14.32 H new ATOM 0 HD3 ARG A 76 -13.495 -2.642 5.399 1.00 14.32 H new ATOM 0 HE ARG A 76 -13.310 -3.027 8.125 1.00 74.42 H new ATOM 0 HH11 ARG A 76 -14.085 -5.106 5.378 1.00 13.52 H new ATOM 0 HH12 ARG A 76 -13.428 -6.557 6.143 1.00 13.52 H new ATOM 0 HH21 ARG A 76 -12.467 -4.895 9.101 1.00 73.34 H new ATOM 0 HH22 ARG A 76 -12.516 -6.438 8.241 1.00 73.34 H new ATOM 1210 N SER A 77 -12.099 0.417 3.840 1.00 11.21 N ATOM 1211 CA SER A 77 -11.105 0.069 2.832 1.00 31.15 C ATOM 1212 C SER A 77 -9.698 0.409 3.316 1.00 51.30 C ATOM 1213 O SER A 77 -8.810 -0.445 3.332 1.00 50.14 O ATOM 1214 CB SER A 77 -11.396 0.802 1.522 1.00 54.15 C ATOM 1215 OG SER A 77 -12.176 0.000 0.651 1.00 12.23 O ATOM 0 H SER A 77 -12.822 1.059 3.515 1.00 11.21 H new ATOM 0 HA SER A 77 -11.162 -1.006 2.659 1.00 31.15 H new ATOM 0 HB2 SER A 77 -11.922 1.734 1.732 1.00 54.15 H new ATOM 0 HB3 SER A 77 -10.458 1.068 1.034 1.00 54.15 H new ATOM 0 HG SER A 77 -12.350 0.492 -0.179 1.00 12.23 H new ATOM 1221 N LEU A 78 -9.503 1.662 3.712 1.00 42.51 N ATOM 1222 CA LEU A 78 -8.205 2.117 4.197 1.00 43.40 C ATOM 1223 C LEU A 78 -7.643 1.153 5.237 1.00 42.40 C ATOM 1224 O LEU A 78 -6.502 0.704 5.128 1.00 31.24 O ATOM 1225 CB LEU A 78 -8.327 3.519 4.797 1.00 23.13 C ATOM 1226 CG LEU A 78 -7.717 4.656 3.977 1.00 40.43 C ATOM 1227 CD1 LEU A 78 -6.263 4.358 3.648 1.00 65.31 C ATOM 1228 CD2 LEU A 78 -8.518 4.883 2.702 1.00 1.04 C ATOM 0 H LEU A 78 -10.227 2.381 3.707 1.00 42.51 H new ATOM 0 HA LEU A 78 -7.519 2.148 3.351 1.00 43.40 H new ATOM 0 HB2 LEU A 78 -9.384 3.736 4.951 1.00 23.13 H new ATOM 0 HB3 LEU A 78 -7.856 3.514 5.780 1.00 23.13 H new ATOM 0 HG LEU A 78 -7.753 5.568 4.573 1.00 40.43 H new ATOM 0 HD11 LEU A 78 -5.846 5.179 3.064 1.00 65.31 H new ATOM 0 HD12 LEU A 78 -5.696 4.246 4.572 1.00 65.31 H new ATOM 0 HD13 LEU A 78 -6.202 3.435 3.071 1.00 65.31 H new ATOM 0 HD21 LEU A 78 -8.070 5.696 2.131 1.00 1.04 H new ATOM 0 HD22 LEU A 78 -8.514 3.973 2.103 1.00 1.04 H new ATOM 0 HD23 LEU A 78 -9.545 5.143 2.959 1.00 1.04 H new ATOM 1240 N TYR A 79 -8.452 0.839 6.242 1.00 1.01 N ATOM 1241 CA TYR A 79 -8.036 -0.072 7.301 1.00 34.54 C ATOM 1242 C TYR A 79 -7.403 -1.333 6.719 1.00 4.43 C ATOM 1243 O TYR A 79 -6.333 -1.759 7.151 1.00 63.21 O ATOM 1244 CB TYR A 79 -9.232 -0.448 8.179 1.00 4.30 C ATOM 1245 CG TYR A 79 -8.843 -1.116 9.478 1.00 64.11 C ATOM 1246 CD1 TYR A 79 -8.171 -0.412 10.470 1.00 11.32 C ATOM 1247 CD2 TYR A 79 -9.147 -2.451 9.715 1.00 41.22 C ATOM 1248 CE1 TYR A 79 -7.813 -1.018 11.659 1.00 64.21 C ATOM 1249 CE2 TYR A 79 -8.795 -3.064 10.901 1.00 25.11 C ATOM 1250 CZ TYR A 79 -8.127 -2.344 11.869 1.00 15.03 C ATOM 1251 OH TYR A 79 -7.774 -2.952 13.052 1.00 44.24 O ATOM 0 H TYR A 79 -9.400 1.202 6.346 1.00 1.01 H new ATOM 0 HA TYR A 79 -7.291 0.438 7.911 1.00 34.54 H new ATOM 0 HB2 TYR A 79 -9.806 0.451 8.401 1.00 4.30 H new ATOM 0 HB3 TYR A 79 -9.888 -1.115 7.619 1.00 4.30 H new ATOM 0 HD1 TYR A 79 -7.924 0.627 10.309 1.00 11.32 H new ATOM 0 HD2 TYR A 79 -9.668 -3.019 8.958 1.00 41.22 H new ATOM 0 HE1 TYR A 79 -7.290 -0.456 12.419 1.00 64.21 H new ATOM 0 HE2 TYR A 79 -9.042 -4.102 11.070 1.00 25.11 H new ATOM 0 HH TYR A 79 -8.423 -3.655 13.265 1.00 44.24 H new ATOM 1261 N ASN A 80 -8.073 -1.923 5.734 1.00 14.14 N ATOM 1262 CA ASN A 80 -7.577 -3.134 5.091 1.00 13.32 C ATOM 1263 C ASN A 80 -6.460 -2.807 4.104 1.00 14.12 C ATOM 1264 O ASN A 80 -5.691 -3.683 3.707 1.00 2.20 O ATOM 1265 CB ASN A 80 -8.716 -3.856 4.370 1.00 34.31 C ATOM 1266 CG ASN A 80 -9.500 -4.768 5.294 1.00 53.53 C ATOM 1267 OD1 ASN A 80 -10.728 -4.701 5.356 1.00 0.44 O ATOM 1268 ND2 ASN A 80 -8.792 -5.627 6.018 1.00 5.53 N ATOM 0 H ASN A 80 -8.960 -1.582 5.364 1.00 14.14 H new ATOM 0 HA ASN A 80 -7.174 -3.788 5.864 1.00 13.32 H new ATOM 0 HB2 ASN A 80 -9.390 -3.119 3.933 1.00 34.31 H new ATOM 0 HB3 ASN A 80 -8.307 -4.442 3.547 1.00 34.31 H new ATOM 0 HD21 ASN A 80 -9.265 -6.266 6.657 1.00 5.53 H new ATOM 0 HD22 ASN A 80 -7.776 -5.648 5.935 1.00 5.53 H new ATOM 1275 N THR A 81 -6.378 -1.541 3.710 1.00 52.34 N ATOM 1276 CA THR A 81 -5.357 -1.097 2.768 1.00 14.13 C ATOM 1277 C THR A 81 -4.011 -0.917 3.462 1.00 32.32 C ATOM 1278 O THR A 81 -3.013 -1.520 3.065 1.00 15.14 O ATOM 1279 CB THR A 81 -5.755 0.228 2.091 1.00 0.32 C ATOM 1280 OG1 THR A 81 -7.062 0.113 1.519 1.00 31.33 O ATOM 1281 CG2 THR A 81 -4.753 0.604 1.010 1.00 13.41 C ATOM 0 H THR A 81 -7.007 -0.804 4.029 1.00 52.34 H new ATOM 0 HA THR A 81 -5.270 -1.872 2.007 1.00 14.13 H new ATOM 0 HB THR A 81 -5.759 1.011 2.849 1.00 0.32 H new ATOM 0 HG1 THR A 81 -7.653 -0.356 2.145 1.00 31.33 H new ATOM 0 HG21 THR A 81 -5.054 1.543 0.545 1.00 13.41 H new ATOM 0 HG22 THR A 81 -3.765 0.720 1.455 1.00 13.41 H new ATOM 0 HG23 THR A 81 -4.721 -0.181 0.254 1.00 13.41 H new ATOM 1289 N ILE A 82 -3.992 -0.086 4.498 1.00 22.30 N ATOM 1290 CA ILE A 82 -2.768 0.171 5.247 1.00 62.22 C ATOM 1291 C ILE A 82 -2.249 -1.102 5.906 1.00 72.21 C ATOM 1292 O ILE A 82 -1.053 -1.237 6.164 1.00 14.24 O ATOM 1293 CB ILE A 82 -2.986 1.244 6.330 1.00 4.35 C ATOM 1294 CG1 ILE A 82 -3.513 2.535 5.701 1.00 51.42 C ATOM 1295 CG2 ILE A 82 -1.690 1.506 7.084 1.00 71.21 C ATOM 1296 CD1 ILE A 82 -4.745 3.082 6.387 1.00 41.41 C ATOM 0 H ILE A 82 -4.809 0.421 4.838 1.00 22.30 H new ATOM 0 HA ILE A 82 -2.030 0.533 4.531 1.00 62.22 H new ATOM 0 HB ILE A 82 -3.729 0.878 7.039 1.00 4.35 H new ATOM 0 HG12 ILE A 82 -2.727 3.290 5.727 1.00 51.42 H new ATOM 0 HG13 ILE A 82 -3.743 2.351 4.652 1.00 51.42 H new ATOM 0 HG21 ILE A 82 -1.860 2.267 7.846 1.00 71.21 H new ATOM 0 HG22 ILE A 82 -1.353 0.585 7.559 1.00 71.21 H new ATOM 0 HG23 ILE A 82 -0.928 1.854 6.387 1.00 71.21 H new ATOM 0 HD11 ILE A 82 -5.063 3.998 5.888 1.00 41.41 H new ATOM 0 HD12 ILE A 82 -5.546 2.345 6.338 1.00 41.41 H new ATOM 0 HD13 ILE A 82 -4.515 3.298 7.430 1.00 41.41 H new ATOM 1308 N ALA A 83 -3.157 -2.036 6.175 1.00 51.02 N ATOM 1309 CA ALA A 83 -2.790 -3.300 6.800 1.00 72.23 C ATOM 1310 C ALA A 83 -1.987 -4.174 5.842 1.00 3.24 C ATOM 1311 O ALA A 83 -1.209 -5.027 6.268 1.00 24.34 O ATOM 1312 CB ALA A 83 -4.036 -4.037 7.270 1.00 32.12 C ATOM 0 H ALA A 83 -4.151 -1.940 5.969 1.00 51.02 H new ATOM 0 HA ALA A 83 -2.162 -3.081 7.664 1.00 72.23 H new ATOM 0 HB1 ALA A 83 -3.747 -4.980 7.735 1.00 32.12 H new ATOM 0 HB2 ALA A 83 -4.570 -3.423 7.995 1.00 32.12 H new ATOM 0 HB3 ALA A 83 -4.684 -4.237 6.417 1.00 32.12 H new ATOM 1318 N VAL A 84 -2.180 -3.955 4.546 1.00 53.14 N ATOM 1319 CA VAL A 84 -1.474 -4.723 3.527 1.00 65.01 C ATOM 1320 C VAL A 84 -0.114 -4.105 3.219 1.00 14.24 C ATOM 1321 O VAL A 84 0.846 -4.813 2.910 1.00 4.20 O ATOM 1322 CB VAL A 84 -2.290 -4.814 2.225 1.00 11.41 C ATOM 1323 CG1 VAL A 84 -1.509 -5.561 1.155 1.00 73.21 C ATOM 1324 CG2 VAL A 84 -3.632 -5.484 2.484 1.00 61.15 C ATOM 0 H VAL A 84 -2.820 -3.252 4.176 1.00 53.14 H new ATOM 0 HA VAL A 84 -1.333 -5.727 3.928 1.00 65.01 H new ATOM 0 HB VAL A 84 -2.478 -3.803 1.863 1.00 11.41 H new ATOM 0 HG11 VAL A 84 -2.102 -5.615 0.242 1.00 73.21 H new ATOM 0 HG12 VAL A 84 -0.577 -5.035 0.951 1.00 73.21 H new ATOM 0 HG13 VAL A 84 -1.287 -6.570 1.504 1.00 73.21 H new ATOM 0 HG21 VAL A 84 -4.196 -5.540 1.553 1.00 61.15 H new ATOM 0 HG22 VAL A 84 -3.468 -6.490 2.870 1.00 61.15 H new ATOM 0 HG23 VAL A 84 -4.194 -4.902 3.214 1.00 61.15 H new ATOM 1334 N LEU A 85 -0.038 -2.782 3.306 1.00 11.20 N ATOM 1335 CA LEU A 85 1.205 -2.067 3.037 1.00 22.42 C ATOM 1336 C LEU A 85 2.209 -2.278 4.165 1.00 14.22 C ATOM 1337 O LEU A 85 3.411 -2.393 3.927 1.00 41.34 O ATOM 1338 CB LEU A 85 0.929 -0.573 2.857 1.00 60.13 C ATOM 1339 CG LEU A 85 2.156 0.340 2.844 1.00 74.41 C ATOM 1340 CD1 LEU A 85 3.192 -0.174 1.857 1.00 0.41 C ATOM 1341 CD2 LEU A 85 1.754 1.768 2.506 1.00 13.21 C ATOM 0 H LEU A 85 -0.823 -2.182 3.561 1.00 11.20 H new ATOM 0 HA LEU A 85 1.632 -2.464 2.116 1.00 22.42 H new ATOM 0 HB2 LEU A 85 0.388 -0.434 1.921 1.00 60.13 H new ATOM 0 HB3 LEU A 85 0.267 -0.247 3.659 1.00 60.13 H new ATOM 0 HG LEU A 85 2.600 0.336 3.839 1.00 74.41 H new ATOM 0 HD11 LEU A 85 4.058 0.488 1.861 1.00 0.41 H new ATOM 0 HD12 LEU A 85 3.502 -1.179 2.145 1.00 0.41 H new ATOM 0 HD13 LEU A 85 2.760 -0.200 0.857 1.00 0.41 H new ATOM 0 HD21 LEU A 85 2.639 2.404 2.501 1.00 13.21 H new ATOM 0 HD22 LEU A 85 1.285 1.791 1.522 1.00 13.21 H new ATOM 0 HD23 LEU A 85 1.049 2.134 3.252 1.00 13.21 H new ATOM 1353 N TYR A 86 1.708 -2.329 5.394 1.00 70.51 N ATOM 1354 CA TYR A 86 2.561 -2.526 6.560 1.00 70.43 C ATOM 1355 C TYR A 86 3.442 -3.760 6.388 1.00 10.32 C ATOM 1356 O TYR A 86 4.580 -3.794 6.857 1.00 5.13 O ATOM 1357 CB TYR A 86 1.710 -2.665 7.823 1.00 52.01 C ATOM 1358 CG TYR A 86 2.506 -3.046 9.051 1.00 23.34 C ATOM 1359 CD1 TYR A 86 2.741 -4.380 9.365 1.00 54.24 C ATOM 1360 CD2 TYR A 86 3.023 -2.074 9.898 1.00 54.12 C ATOM 1361 CE1 TYR A 86 3.467 -4.733 10.486 1.00 41.54 C ATOM 1362 CE2 TYR A 86 3.751 -2.417 11.020 1.00 63.22 C ATOM 1363 CZ TYR A 86 3.971 -3.748 11.309 1.00 2.21 C ATOM 1364 OH TYR A 86 4.695 -4.094 12.427 1.00 64.22 O ATOM 0 H TYR A 86 0.715 -2.237 5.609 1.00 70.51 H new ATOM 0 HA TYR A 86 3.206 -1.653 6.659 1.00 70.43 H new ATOM 0 HB2 TYR A 86 1.197 -1.722 8.011 1.00 52.01 H new ATOM 0 HB3 TYR A 86 0.940 -3.418 7.651 1.00 52.01 H new ATOM 0 HD1 TYR A 86 2.349 -5.154 8.721 1.00 54.24 H new ATOM 0 HD2 TYR A 86 2.852 -1.031 9.675 1.00 54.12 H new ATOM 0 HE1 TYR A 86 3.639 -5.774 10.716 1.00 41.54 H new ATOM 0 HE2 TYR A 86 4.146 -1.648 11.667 1.00 63.22 H new ATOM 0 HH TYR A 86 4.978 -3.282 12.897 1.00 64.22 H new ATOM 1374 N CYS A 87 2.908 -4.771 5.713 1.00 54.13 N ATOM 1375 CA CYS A 87 3.643 -6.008 5.478 1.00 61.11 C ATOM 1376 C CYS A 87 4.788 -5.782 4.496 1.00 43.40 C ATOM 1377 O CYS A 87 5.784 -6.506 4.509 1.00 3.45 O ATOM 1378 CB CYS A 87 2.704 -7.091 4.944 1.00 25.10 C ATOM 1379 SG CYS A 87 2.657 -7.204 3.140 1.00 43.42 S ATOM 0 H CYS A 87 1.968 -4.758 5.318 1.00 54.13 H new ATOM 0 HA CYS A 87 4.063 -6.338 6.428 1.00 61.11 H new ATOM 0 HB2 CYS A 87 3.011 -8.055 5.350 1.00 25.10 H new ATOM 0 HB3 CYS A 87 1.696 -6.897 5.311 1.00 25.10 H new ATOM 0 HG CYS A 87 1.924 -6.242 2.664 1.00 43.42 H new ATOM 1385 N VAL A 88 4.639 -4.773 3.643 1.00 12.12 N ATOM 1386 CA VAL A 88 5.661 -4.450 2.654 1.00 12.10 C ATOM 1387 C VAL A 88 6.890 -3.835 3.313 1.00 15.12 C ATOM 1388 O VAL A 88 8.008 -3.973 2.816 1.00 40.21 O ATOM 1389 CB VAL A 88 5.122 -3.478 1.588 1.00 42.41 C ATOM 1390 CG1 VAL A 88 6.225 -3.084 0.617 1.00 21.51 C ATOM 1391 CG2 VAL A 88 3.945 -4.096 0.849 1.00 42.03 C ATOM 0 H VAL A 88 3.820 -4.165 3.617 1.00 12.12 H new ATOM 0 HA VAL A 88 5.942 -5.386 2.172 1.00 12.10 H new ATOM 0 HB VAL A 88 4.773 -2.575 2.089 1.00 42.41 H new ATOM 0 HG11 VAL A 88 5.825 -2.397 -0.129 1.00 21.51 H new ATOM 0 HG12 VAL A 88 7.033 -2.597 1.163 1.00 21.51 H new ATOM 0 HG13 VAL A 88 6.608 -3.975 0.120 1.00 21.51 H new ATOM 0 HG21 VAL A 88 3.577 -3.395 0.100 1.00 42.03 H new ATOM 0 HG22 VAL A 88 4.265 -5.016 0.359 1.00 42.03 H new ATOM 0 HG23 VAL A 88 3.148 -4.321 1.558 1.00 42.03 H new ATOM 1401 N HIS A 89 6.676 -3.157 4.436 1.00 14.03 N ATOM 1402 CA HIS A 89 7.767 -2.520 5.165 1.00 11.14 C ATOM 1403 C HIS A 89 8.145 -3.339 6.397 1.00 44.41 C ATOM 1404 O HIS A 89 9.247 -3.121 6.902 1.00 15.02 O ATOM 1405 CB HIS A 89 7.372 -1.103 5.584 1.00 24.10 C ATOM 1406 CG HIS A 89 6.911 -0.249 4.442 1.00 23.02 C ATOM 1407 ND1 HIS A 89 7.634 -0.095 3.279 1.00 54.53 N ATOM 1408 CD2 HIS A 89 5.793 0.497 4.291 1.00 52.51 C ATOM 1409 CE1 HIS A 89 6.980 0.712 2.461 1.00 24.23 C ATOM 1410 NE2 HIS A 89 5.859 1.084 3.052 1.00 14.42 N ATOM 0 H HIS A 89 5.757 -3.035 4.861 1.00 14.03 H new ATOM 0 HA HIS A 89 8.631 -2.467 4.503 1.00 11.14 H new ATOM 0 HB2 HIS A 89 6.578 -1.161 6.328 1.00 24.10 H new ATOM 0 HB3 HIS A 89 8.225 -0.624 6.065 1.00 24.10 H new ATOM 0 HD1 HIS A 89 8.533 -0.535 3.080 1.00 54.53 H new ATOM 0 HD2 HIS A 89 4.996 0.610 5.011 1.00 52.51 H new ATOM 0 HE1 HIS A 89 7.307 1.015 1.477 1.00 24.23 H new ATOM 1419 N GLN A 90 7.295 -4.241 6.874 1.00 22.42 N ATOM 1420 CA GLN A 90 7.613 -5.046 8.048 1.00 5.11 C ATOM 1421 C GLN A 90 7.861 -6.500 7.660 1.00 13.45 C ATOM 1422 O GLN A 90 8.263 -7.313 8.492 1.00 24.35 O ATOM 1423 CB GLN A 90 6.480 -4.964 9.071 1.00 21.01 C ATOM 1424 CG GLN A 90 6.964 -4.874 10.510 1.00 2.21 C ATOM 1425 CD GLN A 90 8.235 -5.665 10.748 1.00 72.04 C ATOM 1426 OE1 GLN A 90 9.340 -5.168 10.528 1.00 10.01 O ATOM 1427 NE2 GLN A 90 8.085 -6.904 11.201 1.00 34.11 N ATOM 0 H GLN A 90 6.380 -4.433 6.466 1.00 22.42 H new ATOM 0 HA GLN A 90 8.524 -4.648 8.494 1.00 5.11 H new ATOM 0 HB2 GLN A 90 5.863 -4.093 8.849 1.00 21.01 H new ATOM 0 HB3 GLN A 90 5.842 -5.841 8.965 1.00 21.01 H new ATOM 0 HG2 GLN A 90 7.137 -3.829 10.766 1.00 2.21 H new ATOM 0 HG3 GLN A 90 6.183 -5.240 11.176 1.00 2.21 H new ATOM 0 HE21 GLN A 90 7.150 -7.276 11.370 1.00 34.11 H new ATOM 0 HE22 GLN A 90 8.905 -7.484 11.381 1.00 34.11 H new ATOM 1436 N ARG A 91 7.617 -6.819 6.393 1.00 22.34 N ATOM 1437 CA ARG A 91 7.813 -8.176 5.897 1.00 51.40 C ATOM 1438 C ARG A 91 6.884 -9.155 6.611 1.00 41.23 C ATOM 1439 O ARG A 91 7.330 -10.170 7.145 1.00 2.42 O ATOM 1440 CB ARG A 91 9.268 -8.607 6.086 1.00 61.23 C ATOM 1441 CG ARG A 91 9.692 -9.740 5.165 1.00 11.24 C ATOM 1442 CD ARG A 91 10.674 -10.676 5.851 1.00 64.20 C ATOM 1443 NE ARG A 91 11.347 -11.557 4.899 1.00 13.54 N ATOM 1444 CZ ARG A 91 11.952 -12.687 5.246 1.00 43.14 C ATOM 1445 NH1 ARG A 91 11.970 -13.073 6.514 1.00 4.24 N ATOM 1446 NH2 ARG A 91 12.542 -13.435 4.322 1.00 63.13 N ATOM 0 H ARG A 91 7.284 -6.157 5.692 1.00 22.34 H new ATOM 0 HA ARG A 91 7.575 -8.185 4.833 1.00 51.40 H new ATOM 0 HB2 ARG A 91 9.918 -7.749 5.915 1.00 61.23 H new ATOM 0 HB3 ARG A 91 9.415 -8.917 7.121 1.00 61.23 H new ATOM 0 HG2 ARG A 91 8.813 -10.301 4.848 1.00 11.24 H new ATOM 0 HG3 ARG A 91 10.148 -9.328 4.265 1.00 11.24 H new ATOM 0 HD2 ARG A 91 11.418 -10.089 6.390 1.00 64.20 H new ATOM 0 HD3 ARG A 91 10.145 -11.278 6.590 1.00 64.20 H new ATOM 0 HE ARG A 91 11.352 -11.289 3.915 1.00 13.54 H new ATOM 0 HH11 ARG A 91 11.518 -12.501 7.228 1.00 4.24 H new ATOM 0 HH12 ARG A 91 12.436 -13.942 6.776 1.00 4.24 H new ATOM 0 HH21 ARG A 91 12.531 -13.142 3.345 1.00 63.13 H new ATOM 0 HH22 ARG A 91 13.007 -14.303 4.589 1.00 63.13 H new ATOM 1460 N ILE A 92 5.592 -8.842 6.613 1.00 4.33 N ATOM 1461 CA ILE A 92 4.603 -9.693 7.260 1.00 30.45 C ATOM 1462 C ILE A 92 3.957 -10.644 6.258 1.00 33.52 C ATOM 1463 O ILE A 92 3.229 -10.218 5.362 1.00 41.11 O ATOM 1464 CB ILE A 92 3.502 -8.860 7.942 1.00 14.25 C ATOM 1465 CG1 ILE A 92 4.125 -7.771 8.818 1.00 40.53 C ATOM 1466 CG2 ILE A 92 2.594 -9.757 8.770 1.00 12.40 C ATOM 1467 CD1 ILE A 92 5.361 -8.226 9.562 1.00 71.34 C ATOM 0 H ILE A 92 5.207 -8.006 6.174 1.00 4.33 H new ATOM 0 HA ILE A 92 5.132 -10.271 8.018 1.00 30.45 H new ATOM 0 HB ILE A 92 2.900 -8.380 7.170 1.00 14.25 H new ATOM 0 HG12 ILE A 92 4.382 -6.916 8.193 1.00 40.53 H new ATOM 0 HG13 ILE A 92 3.383 -7.427 9.539 1.00 40.53 H new ATOM 0 HG21 ILE A 92 1.821 -9.153 9.245 1.00 12.40 H new ATOM 0 HG22 ILE A 92 2.127 -10.499 8.123 1.00 12.40 H new ATOM 0 HG23 ILE A 92 3.182 -10.262 9.536 1.00 12.40 H new ATOM 0 HD11 ILE A 92 5.748 -7.403 10.162 1.00 71.34 H new ATOM 0 HD12 ILE A 92 5.106 -9.062 10.214 1.00 71.34 H new ATOM 0 HD13 ILE A 92 6.120 -8.542 8.847 1.00 71.34 H new ATOM 1479 N ASP A 93 4.227 -11.935 6.418 1.00 71.55 N ATOM 1480 CA ASP A 93 3.670 -12.949 5.529 1.00 40.22 C ATOM 1481 C ASP A 93 2.146 -12.925 5.565 1.00 52.21 C ATOM 1482 O ASP A 93 1.525 -13.523 6.444 1.00 50.54 O ATOM 1483 CB ASP A 93 4.180 -14.336 5.919 1.00 33.45 C ATOM 1484 CG ASP A 93 3.786 -15.402 4.915 1.00 35.34 C ATOM 1485 OD1 ASP A 93 3.251 -15.041 3.846 1.00 1.11 O ATOM 1486 OD2 ASP A 93 4.013 -16.597 5.199 1.00 4.14 O ATOM 0 H ASP A 93 4.828 -12.304 7.155 1.00 71.55 H new ATOM 0 HA ASP A 93 3.995 -12.724 4.513 1.00 40.22 H new ATOM 0 HB2 ASP A 93 5.266 -14.309 6.008 1.00 33.45 H new ATOM 0 HB3 ASP A 93 3.786 -14.602 6.900 1.00 33.45 H new ATOM 1491 N VAL A 94 1.547 -12.228 4.604 1.00 53.13 N ATOM 1492 CA VAL A 94 0.094 -12.125 4.526 1.00 63.02 C ATOM 1493 C VAL A 94 -0.446 -12.890 3.323 1.00 34.42 C ATOM 1494 O VAL A 94 -0.071 -12.622 2.182 1.00 3.31 O ATOM 1495 CB VAL A 94 -0.360 -10.657 4.432 1.00 12.52 C ATOM 1496 CG1 VAL A 94 -0.007 -9.906 5.707 1.00 32.22 C ATOM 1497 CG2 VAL A 94 0.261 -9.983 3.218 1.00 45.12 C ATOM 0 H VAL A 94 2.045 -11.726 3.869 1.00 53.13 H new ATOM 0 HA VAL A 94 -0.305 -12.563 5.441 1.00 63.02 H new ATOM 0 HB VAL A 94 -1.444 -10.638 4.315 1.00 12.52 H new ATOM 0 HG11 VAL A 94 -0.336 -8.870 5.622 1.00 32.22 H new ATOM 0 HG12 VAL A 94 -0.504 -10.376 6.556 1.00 32.22 H new ATOM 0 HG13 VAL A 94 1.072 -9.933 5.858 1.00 32.22 H new ATOM 0 HG21 VAL A 94 -0.071 -8.946 3.168 1.00 45.12 H new ATOM 0 HG22 VAL A 94 1.347 -10.012 3.302 1.00 45.12 H new ATOM 0 HG23 VAL A 94 -0.048 -10.507 2.313 1.00 45.12 H new ATOM 1507 N LYS A 95 -1.332 -13.845 3.586 1.00 23.13 N ATOM 1508 CA LYS A 95 -1.927 -14.650 2.526 1.00 10.40 C ATOM 1509 C LYS A 95 -3.020 -13.871 1.800 1.00 42.11 C ATOM 1510 O LYS A 95 -3.382 -14.198 0.670 1.00 11.22 O ATOM 1511 CB LYS A 95 -2.507 -15.943 3.104 1.00 64.32 C ATOM 1512 CG LYS A 95 -2.578 -17.080 2.099 1.00 51.42 C ATOM 1513 CD LYS A 95 -2.950 -18.393 2.767 1.00 55.40 C ATOM 1514 CE LYS A 95 -2.741 -19.574 1.831 1.00 2.51 C ATOM 1515 NZ LYS A 95 -3.379 -20.814 2.352 1.00 31.40 N ATOM 0 H LYS A 95 -1.654 -14.080 4.525 1.00 23.13 H new ATOM 0 HA LYS A 95 -1.144 -14.898 1.809 1.00 10.40 H new ATOM 0 HB2 LYS A 95 -1.899 -16.257 3.953 1.00 64.32 H new ATOM 0 HB3 LYS A 95 -3.508 -15.743 3.486 1.00 64.32 H new ATOM 0 HG2 LYS A 95 -3.312 -16.841 1.330 1.00 51.42 H new ATOM 0 HG3 LYS A 95 -1.615 -17.185 1.599 1.00 51.42 H new ATOM 0 HD2 LYS A 95 -2.348 -18.529 3.665 1.00 55.40 H new ATOM 0 HD3 LYS A 95 -3.992 -18.359 3.084 1.00 55.40 H new ATOM 0 HE2 LYS A 95 -3.154 -19.338 0.850 1.00 2.51 H new ATOM 0 HE3 LYS A 95 -1.673 -19.745 1.695 1.00 2.51 H new ATOM 0 HZ1 LYS A 95 -3.214 -21.595 1.686 1.00 31.40 H new ATOM 0 HZ2 LYS A 95 -2.967 -21.054 3.276 1.00 31.40 H new ATOM 0 HZ3 LYS A 95 -4.402 -20.660 2.458 1.00 31.40 H new ATOM 1529 N ASP A 96 -3.541 -12.840 2.457 1.00 25.10 N ATOM 1530 CA ASP A 96 -4.589 -12.013 1.873 1.00 74.45 C ATOM 1531 C ASP A 96 -4.935 -10.844 2.791 1.00 64.03 C ATOM 1532 O ASP A 96 -4.341 -10.682 3.857 1.00 14.41 O ATOM 1533 CB ASP A 96 -5.839 -12.853 1.603 1.00 13.40 C ATOM 1534 CG ASP A 96 -6.286 -13.634 2.823 1.00 2.01 C ATOM 1535 OD1 ASP A 96 -6.915 -13.029 3.718 1.00 62.22 O ATOM 1536 OD2 ASP A 96 -6.009 -14.849 2.883 1.00 21.14 O ATOM 0 H ASP A 96 -3.254 -12.558 3.394 1.00 25.10 H new ATOM 0 HA ASP A 96 -4.218 -11.612 0.929 1.00 74.45 H new ATOM 0 HB2 ASP A 96 -6.648 -12.200 1.276 1.00 13.40 H new ATOM 0 HB3 ASP A 96 -5.638 -13.545 0.785 1.00 13.40 H new ATOM 1541 N THR A 97 -5.898 -10.031 2.369 1.00 74.24 N ATOM 1542 CA THR A 97 -6.321 -8.877 3.150 1.00 4.32 C ATOM 1543 C THR A 97 -6.628 -9.270 4.591 1.00 24.40 C ATOM 1544 O THR A 97 -6.124 -8.660 5.533 1.00 23.03 O ATOM 1545 CB THR A 97 -7.565 -8.207 2.537 1.00 20.32 C ATOM 1546 OG1 THR A 97 -7.261 -7.715 1.227 1.00 44.44 O ATOM 1547 CG2 THR A 97 -8.052 -7.064 3.413 1.00 3.35 C ATOM 0 H THR A 97 -6.400 -10.151 1.489 1.00 74.24 H new ATOM 0 HA THR A 97 -5.493 -8.168 3.138 1.00 4.32 H new ATOM 0 HB THR A 97 -8.356 -8.954 2.470 1.00 20.32 H new ATOM 0 HG1 THR A 97 -7.712 -8.270 0.556 1.00 44.44 H new ATOM 0 HG21 THR A 97 -8.931 -6.607 2.959 1.00 3.35 H new ATOM 0 HG22 THR A 97 -8.311 -7.447 4.400 1.00 3.35 H new ATOM 0 HG23 THR A 97 -7.263 -6.318 3.509 1.00 3.35 H new ATOM 1555 N LYS A 98 -7.458 -10.295 4.755 1.00 61.12 N ATOM 1556 CA LYS A 98 -7.831 -10.773 6.081 1.00 22.30 C ATOM 1557 C LYS A 98 -6.600 -11.212 6.867 1.00 62.10 C ATOM 1558 O LYS A 98 -6.404 -10.800 8.010 1.00 64.52 O ATOM 1559 CB LYS A 98 -8.818 -11.937 5.966 1.00 21.42 C ATOM 1560 CG LYS A 98 -9.392 -12.381 7.301 1.00 52.23 C ATOM 1561 CD LYS A 98 -10.323 -13.571 7.139 1.00 2.14 C ATOM 1562 CE LYS A 98 -10.597 -14.249 8.473 1.00 13.21 C ATOM 1563 NZ LYS A 98 -11.348 -15.524 8.303 1.00 65.13 N ATOM 0 H LYS A 98 -7.885 -10.811 3.986 1.00 61.12 H new ATOM 0 HA LYS A 98 -8.308 -9.952 6.616 1.00 22.30 H new ATOM 0 HB2 LYS A 98 -9.636 -11.645 5.307 1.00 21.42 H new ATOM 0 HB3 LYS A 98 -8.316 -12.783 5.496 1.00 21.42 H new ATOM 0 HG2 LYS A 98 -8.579 -12.643 7.978 1.00 52.23 H new ATOM 0 HG3 LYS A 98 -9.934 -11.553 7.759 1.00 52.23 H new ATOM 0 HD2 LYS A 98 -11.263 -13.241 6.697 1.00 2.14 H new ATOM 0 HD3 LYS A 98 -9.881 -14.289 6.449 1.00 2.14 H new ATOM 0 HE2 LYS A 98 -9.653 -14.448 8.980 1.00 13.21 H new ATOM 0 HE3 LYS A 98 -11.166 -13.575 9.113 1.00 13.21 H new ATOM 0 HZ1 LYS A 98 -11.515 -15.955 9.234 1.00 65.13 H new ATOM 0 HZ2 LYS A 98 -12.260 -15.331 7.842 1.00 65.13 H new ATOM 0 HZ3 LYS A 98 -10.794 -16.177 7.713 1.00 65.13 H new ATOM 1577 N GLU A 99 -5.774 -12.049 6.247 1.00 72.21 N ATOM 1578 CA GLU A 99 -4.562 -12.543 6.890 1.00 40.21 C ATOM 1579 C GLU A 99 -3.768 -11.394 7.507 1.00 62.41 C ATOM 1580 O GLU A 99 -3.246 -11.512 8.615 1.00 22.05 O ATOM 1581 CB GLU A 99 -3.693 -13.295 5.881 1.00 2.54 C ATOM 1582 CG GLU A 99 -3.451 -14.749 6.250 1.00 51.33 C ATOM 1583 CD GLU A 99 -4.716 -15.584 6.186 1.00 21.11 C ATOM 1584 OE1 GLU A 99 -5.760 -15.045 5.764 1.00 35.40 O ATOM 1585 OE2 GLU A 99 -4.660 -16.775 6.557 1.00 53.50 O ATOM 0 H GLU A 99 -5.922 -12.399 5.300 1.00 72.21 H new ATOM 0 HA GLU A 99 -4.856 -13.228 7.686 1.00 40.21 H new ATOM 0 HB2 GLU A 99 -4.169 -13.252 4.901 1.00 2.54 H new ATOM 0 HB3 GLU A 99 -2.733 -12.787 5.792 1.00 2.54 H new ATOM 0 HG2 GLU A 99 -2.706 -15.172 5.576 1.00 51.33 H new ATOM 0 HG3 GLU A 99 -3.036 -14.801 7.257 1.00 51.33 H new ATOM 1592 N ALA A 100 -3.681 -10.285 6.780 1.00 20.30 N ATOM 1593 CA ALA A 100 -2.952 -9.116 7.255 1.00 73.21 C ATOM 1594 C ALA A 100 -3.527 -8.608 8.573 1.00 32.41 C ATOM 1595 O ALA A 100 -2.802 -8.439 9.555 1.00 13.31 O ATOM 1596 CB ALA A 100 -2.981 -8.015 6.207 1.00 45.53 C ATOM 0 H ALA A 100 -4.106 -10.172 5.860 1.00 20.30 H new ATOM 0 HA ALA A 100 -1.917 -9.411 7.429 1.00 73.21 H new ATOM 0 HB1 ALA A 100 -2.433 -7.148 6.575 1.00 45.53 H new ATOM 0 HB2 ALA A 100 -2.517 -8.375 5.289 1.00 45.53 H new ATOM 0 HB3 ALA A 100 -4.014 -7.732 6.005 1.00 45.53 H new ATOM 1602 N LEU A 101 -4.834 -8.368 8.589 1.00 43.32 N ATOM 1603 CA LEU A 101 -5.507 -7.878 9.788 1.00 61.25 C ATOM 1604 C LEU A 101 -5.208 -8.775 10.985 1.00 43.13 C ATOM 1605 O LEU A 101 -4.695 -8.315 12.005 1.00 13.41 O ATOM 1606 CB LEU A 101 -7.016 -7.806 9.555 1.00 73.42 C ATOM 1607 CG LEU A 101 -7.707 -6.523 10.017 1.00 11.12 C ATOM 1608 CD1 LEU A 101 -7.419 -6.261 11.487 1.00 22.50 C ATOM 1609 CD2 LEU A 101 -7.262 -5.342 9.167 1.00 3.31 C ATOM 0 H LEU A 101 -5.448 -8.504 7.786 1.00 43.32 H new ATOM 0 HA LEU A 101 -5.130 -6.878 10.004 1.00 61.25 H new ATOM 0 HB2 LEU A 101 -7.205 -7.933 8.489 1.00 73.42 H new ATOM 0 HB3 LEU A 101 -7.482 -8.649 10.064 1.00 73.42 H new ATOM 0 HG LEU A 101 -8.783 -6.649 9.895 1.00 11.12 H new ATOM 0 HD11 LEU A 101 -7.919 -5.344 11.798 1.00 22.50 H new ATOM 0 HD12 LEU A 101 -7.787 -7.095 12.084 1.00 22.50 H new ATOM 0 HD13 LEU A 101 -6.344 -6.156 11.634 1.00 22.50 H new ATOM 0 HD21 LEU A 101 -7.764 -4.437 9.510 1.00 3.31 H new ATOM 0 HD22 LEU A 101 -6.183 -5.215 9.257 1.00 3.31 H new ATOM 0 HD23 LEU A 101 -7.520 -5.527 8.124 1.00 3.31 H new ATOM 1621 N ASP A 102 -5.527 -10.057 10.851 1.00 31.30 N ATOM 1622 CA ASP A 102 -5.290 -11.020 11.921 1.00 54.41 C ATOM 1623 C ASP A 102 -3.798 -11.163 12.200 1.00 25.44 C ATOM 1624 O ASP A 102 -3.396 -11.780 13.188 1.00 11.54 O ATOM 1625 CB ASP A 102 -5.886 -12.380 11.553 1.00 5.23 C ATOM 1626 CG ASP A 102 -7.330 -12.517 11.993 1.00 61.13 C ATOM 1627 OD1 ASP A 102 -7.561 -12.949 13.142 1.00 53.12 O ATOM 1628 OD2 ASP A 102 -8.229 -12.193 11.188 1.00 33.21 O ATOM 0 H ASP A 102 -5.950 -10.454 10.012 1.00 31.30 H new ATOM 0 HA ASP A 102 -5.777 -10.652 12.824 1.00 54.41 H new ATOM 0 HB2 ASP A 102 -5.823 -12.521 10.474 1.00 5.23 H new ATOM 0 HB3 ASP A 102 -5.292 -13.170 12.013 1.00 5.23 H new ATOM 1633 N LYS A 103 -2.979 -10.591 11.324 1.00 23.35 N ATOM 1634 CA LYS A 103 -1.530 -10.655 11.476 1.00 64.22 C ATOM 1635 C LYS A 103 -1.016 -9.475 12.294 1.00 14.13 C ATOM 1636 O LYS A 103 -0.341 -9.657 13.308 1.00 61.52 O ATOM 1637 CB LYS A 103 -0.853 -10.670 10.104 1.00 40.04 C ATOM 1638 CG LYS A 103 -0.447 -12.058 9.642 1.00 63.42 C ATOM 1639 CD LYS A 103 0.761 -12.571 10.409 1.00 33.33 C ATOM 1640 CE LYS A 103 1.198 -13.940 9.911 1.00 20.43 C ATOM 1641 NZ LYS A 103 0.747 -15.032 10.818 1.00 15.43 N ATOM 0 H LYS A 103 -3.294 -10.078 10.501 1.00 23.35 H new ATOM 0 HA LYS A 103 -1.286 -11.576 12.006 1.00 64.22 H new ATOM 0 HB2 LYS A 103 -1.530 -10.235 9.369 1.00 40.04 H new ATOM 0 HB3 LYS A 103 0.032 -10.034 10.138 1.00 40.04 H new ATOM 0 HG2 LYS A 103 -1.282 -12.745 9.775 1.00 63.42 H new ATOM 0 HG3 LYS A 103 -0.220 -12.036 8.576 1.00 63.42 H new ATOM 0 HD2 LYS A 103 1.585 -11.865 10.306 1.00 33.33 H new ATOM 0 HD3 LYS A 103 0.521 -12.628 11.471 1.00 33.33 H new ATOM 0 HE2 LYS A 103 0.795 -14.108 8.912 1.00 20.43 H new ATOM 0 HE3 LYS A 103 2.284 -13.965 9.825 1.00 20.43 H new ATOM 0 HZ1 LYS A 103 1.065 -15.948 10.443 1.00 15.43 H new ATOM 0 HZ2 LYS A 103 1.152 -14.886 11.765 1.00 15.43 H new ATOM 0 HZ3 LYS A 103 -0.291 -15.025 10.880 1.00 15.43 H new ATOM 1655 N ILE A 104 -1.342 -8.266 11.850 1.00 14.13 N ATOM 1656 CA ILE A 104 -0.915 -7.057 12.544 1.00 53.21 C ATOM 1657 C ILE A 104 -1.551 -6.964 13.927 1.00 43.44 C ATOM 1658 O ILE A 104 -0.923 -6.498 14.878 1.00 2.22 O ATOM 1659 CB ILE A 104 -1.273 -5.792 11.741 1.00 21.10 C ATOM 1660 CG1 ILE A 104 -0.508 -5.768 10.416 1.00 32.44 C ATOM 1661 CG2 ILE A 104 -0.968 -4.543 12.556 1.00 34.21 C ATOM 1662 CD1 ILE A 104 -1.057 -4.772 9.419 1.00 22.43 C ATOM 0 H ILE A 104 -1.900 -8.097 11.013 1.00 14.13 H new ATOM 0 HA ILE A 104 0.168 -7.118 12.648 1.00 53.21 H new ATOM 0 HB ILE A 104 -2.341 -5.809 11.523 1.00 21.10 H new ATOM 0 HG12 ILE A 104 0.538 -5.533 10.614 1.00 32.44 H new ATOM 0 HG13 ILE A 104 -0.533 -6.764 9.974 1.00 32.44 H new ATOM 0 HG21 ILE A 104 -1.226 -3.658 11.975 1.00 34.21 H new ATOM 0 HG22 ILE A 104 -1.553 -4.557 13.476 1.00 34.21 H new ATOM 0 HG23 ILE A 104 0.094 -4.519 12.801 1.00 34.21 H new ATOM 0 HD11 ILE A 104 -0.466 -4.810 8.504 1.00 22.43 H new ATOM 0 HD12 ILE A 104 -2.094 -5.019 9.192 1.00 22.43 H new ATOM 0 HD13 ILE A 104 -1.007 -3.769 9.842 1.00 22.43 H new ATOM 1674 N GLU A 105 -2.797 -7.413 14.031 1.00 14.32 N ATOM 1675 CA GLU A 105 -3.516 -7.380 15.300 1.00 61.12 C ATOM 1676 C GLU A 105 -2.951 -8.411 16.272 1.00 65.10 C ATOM 1677 O GLU A 105 -2.563 -8.076 17.391 1.00 20.11 O ATOM 1678 CB GLU A 105 -5.007 -7.642 15.073 1.00 40.51 C ATOM 1679 CG GLU A 105 -5.827 -7.637 16.353 1.00 70.20 C ATOM 1680 CD GLU A 105 -7.232 -8.168 16.147 1.00 62.33 C ATOM 1681 OE1 GLU A 105 -7.372 -9.372 15.845 1.00 64.34 O ATOM 1682 OE2 GLU A 105 -8.191 -7.381 16.288 1.00 64.50 O ATOM 0 H GLU A 105 -3.330 -7.803 13.254 1.00 14.32 H new ATOM 0 HA GLU A 105 -3.390 -6.388 15.734 1.00 61.12 H new ATOM 0 HB2 GLU A 105 -5.402 -6.885 14.396 1.00 40.51 H new ATOM 0 HB3 GLU A 105 -5.127 -8.606 14.578 1.00 40.51 H new ATOM 0 HG2 GLU A 105 -5.321 -8.241 17.107 1.00 70.20 H new ATOM 0 HG3 GLU A 105 -5.880 -6.620 16.742 1.00 70.20 H new ATOM 1689 N GLU A 106 -2.907 -9.666 15.836 1.00 42.45 N ATOM 1690 CA GLU A 106 -2.389 -10.746 16.669 1.00 73.33 C ATOM 1691 C GLU A 106 -1.002 -10.404 17.202 1.00 4.01 C ATOM 1692 O GLU A 106 -0.694 -10.657 18.366 1.00 4.14 O ATOM 1693 CB GLU A 106 -2.335 -12.051 15.873 1.00 65.31 C ATOM 1694 CG GLU A 106 -1.807 -13.231 16.673 1.00 15.44 C ATOM 1695 CD GLU A 106 -2.796 -13.719 17.713 1.00 13.42 C ATOM 1696 OE1 GLU A 106 -4.001 -13.420 17.573 1.00 15.12 O ATOM 1697 OE2 GLU A 106 -2.366 -14.399 18.668 1.00 2.23 O ATOM 0 H GLU A 106 -3.223 -9.960 14.912 1.00 42.45 H new ATOM 0 HA GLU A 106 -3.063 -10.873 17.516 1.00 73.33 H new ATOM 0 HB2 GLU A 106 -3.335 -12.287 15.510 1.00 65.31 H new ATOM 0 HB3 GLU A 106 -1.704 -11.906 14.996 1.00 65.31 H new ATOM 0 HG2 GLU A 106 -1.568 -14.048 15.993 1.00 15.44 H new ATOM 0 HG3 GLU A 106 -0.878 -12.944 17.166 1.00 15.44 H new ATOM 1704 N GLU A 107 -0.168 -9.828 16.342 1.00 72.22 N ATOM 1705 CA GLU A 107 1.188 -9.453 16.726 1.00 31.44 C ATOM 1706 C GLU A 107 1.176 -8.578 17.977 1.00 43.14 C ATOM 1707 O GLU A 107 2.128 -8.581 18.757 1.00 52.20 O ATOM 1708 CB GLU A 107 1.882 -8.716 15.580 1.00 11.43 C ATOM 1709 CG GLU A 107 3.367 -9.014 15.475 1.00 63.44 C ATOM 1710 CD GLU A 107 4.230 -7.807 15.788 1.00 31.12 C ATOM 1711 OE1 GLU A 107 4.220 -7.359 16.955 1.00 75.00 O ATOM 1712 OE2 GLU A 107 4.913 -7.310 14.870 1.00 12.41 O ATOM 0 H GLU A 107 -0.408 -9.611 15.375 1.00 72.22 H new ATOM 0 HA GLU A 107 1.741 -10.366 16.947 1.00 31.44 H new ATOM 0 HB2 GLU A 107 1.399 -8.985 14.641 1.00 11.43 H new ATOM 0 HB3 GLU A 107 1.744 -7.643 15.713 1.00 11.43 H new ATOM 0 HG2 GLU A 107 3.620 -9.824 16.159 1.00 63.44 H new ATOM 0 HG3 GLU A 107 3.593 -9.365 14.468 1.00 63.44 H new ATOM 1719 N GLN A 108 0.093 -7.830 18.158 1.00 75.01 N ATOM 1720 CA GLN A 108 -0.043 -6.949 19.312 1.00 52.43 C ATOM 1721 C GLN A 108 -0.889 -7.601 20.398 1.00 34.53 C ATOM 1722 O GLN A 108 -0.745 -7.293 21.581 1.00 41.14 O ATOM 1723 CB GLN A 108 -0.667 -5.618 18.892 1.00 54.33 C ATOM 1724 CG GLN A 108 0.328 -4.640 18.289 1.00 63.54 C ATOM 1725 CD GLN A 108 1.462 -4.302 19.237 1.00 54.20 C ATOM 1726 OE1 GLN A 108 1.233 -3.954 20.395 1.00 1.14 O ATOM 1727 NE2 GLN A 108 2.692 -4.401 18.749 1.00 22.22 N ATOM 0 H GLN A 108 -0.703 -7.816 17.521 1.00 75.01 H new ATOM 0 HA GLN A 108 0.952 -6.764 19.716 1.00 52.43 H new ATOM 0 HB2 GLN A 108 -1.458 -5.810 18.168 1.00 54.33 H new ATOM 0 HB3 GLN A 108 -1.136 -5.156 19.761 1.00 54.33 H new ATOM 0 HG2 GLN A 108 0.739 -5.065 17.373 1.00 63.54 H new ATOM 0 HG3 GLN A 108 -0.192 -3.724 18.010 1.00 63.54 H new ATOM 0 HE21 GLN A 108 2.835 -4.694 17.782 1.00 22.22 H new ATOM 0 HE22 GLN A 108 3.494 -4.185 19.341 1.00 22.22 H new ATOM 1736 N ASN A 109 -1.774 -8.506 19.990 1.00 51.42 N ATOM 1737 CA ASN A 109 -2.646 -9.201 20.930 1.00 63.21 C ATOM 1738 C ASN A 109 -1.831 -10.047 21.904 1.00 61.10 C ATOM 1739 O ASN A 109 -2.188 -10.183 23.074 1.00 4.03 O ATOM 1740 CB ASN A 109 -3.640 -10.087 20.177 1.00 43.14 C ATOM 1741 CG ASN A 109 -4.884 -10.383 20.990 1.00 14.53 C ATOM 1742 OD1 ASN A 109 -5.732 -9.511 21.186 1.00 2.53 O ATOM 1743 ND2 ASN A 109 -5.000 -11.615 21.469 1.00 75.52 N ATOM 0 H ASN A 109 -1.906 -8.775 19.015 1.00 51.42 H new ATOM 0 HA ASN A 109 -3.196 -8.451 21.499 1.00 63.21 H new ATOM 0 HB2 ASN A 109 -3.926 -9.597 19.246 1.00 43.14 H new ATOM 0 HB3 ASN A 109 -3.154 -11.025 19.907 1.00 43.14 H new ATOM 0 HD21 ASN A 109 -5.816 -11.872 22.024 1.00 75.52 H new ATOM 0 HD22 ASN A 109 -4.273 -12.306 21.282 1.00 75.52 H new ATOM 1750 N LYS A 110 -0.733 -10.612 21.413 1.00 72.44 N ATOM 1751 CA LYS A 110 0.135 -11.443 22.238 1.00 30.22 C ATOM 1752 C LYS A 110 0.546 -10.706 23.509 1.00 64.21 C ATOM 1753 O LYS A 110 0.757 -11.321 24.554 1.00 0.11 O ATOM 1754 CB LYS A 110 1.380 -11.856 21.450 1.00 73.51 C ATOM 1755 CG LYS A 110 1.218 -13.166 20.699 1.00 60.21 C ATOM 1756 CD LYS A 110 2.462 -14.032 20.811 1.00 1.34 C ATOM 1757 CE LYS A 110 2.301 -15.103 21.880 1.00 41.24 C ATOM 1758 NZ LYS A 110 1.269 -16.109 21.505 1.00 20.23 N ATOM 0 H LYS A 110 -0.423 -10.509 20.447 1.00 72.44 H new ATOM 0 HA LYS A 110 -0.421 -12.337 22.521 1.00 30.22 H new ATOM 0 HB2 LYS A 110 1.628 -11.068 20.739 1.00 73.51 H new ATOM 0 HB3 LYS A 110 2.222 -11.942 22.137 1.00 73.51 H new ATOM 0 HG2 LYS A 110 0.359 -13.709 21.094 1.00 60.21 H new ATOM 0 HG3 LYS A 110 1.010 -12.961 19.649 1.00 60.21 H new ATOM 0 HD2 LYS A 110 2.666 -14.504 19.850 1.00 1.34 H new ATOM 0 HD3 LYS A 110 3.322 -13.406 21.048 1.00 1.34 H new ATOM 0 HE2 LYS A 110 3.256 -15.604 22.039 1.00 41.24 H new ATOM 0 HE3 LYS A 110 2.025 -14.635 22.825 1.00 41.24 H new ATOM 0 HZ1 LYS A 110 1.465 -17.006 21.994 1.00 20.23 H new ATOM 0 HZ2 LYS A 110 0.329 -15.762 21.782 1.00 20.23 H new ATOM 0 HZ3 LYS A 110 1.292 -16.263 20.477 1.00 20.23 H new ATOM 1772 N SER A 111 0.658 -9.385 23.411 1.00 71.34 N ATOM 1773 CA SER A 111 1.046 -8.564 24.552 1.00 24.11 C ATOM 1774 C SER A 111 -0.060 -8.535 25.602 1.00 52.14 C ATOM 1775 O SER A 111 0.207 -8.465 26.802 1.00 22.02 O ATOM 1776 CB SER A 111 1.370 -7.140 24.097 1.00 53.12 C ATOM 1777 OG SER A 111 2.652 -6.739 24.547 1.00 63.22 O ATOM 0 H SER A 111 0.486 -8.861 22.553 1.00 71.34 H new ATOM 0 HA SER A 111 1.936 -9.006 24.999 1.00 24.11 H new ATOM 0 HB2 SER A 111 1.330 -7.085 23.009 1.00 53.12 H new ATOM 0 HB3 SER A 111 0.616 -6.452 24.479 1.00 53.12 H new ATOM 0 HG SER A 111 2.835 -5.826 24.241 1.00 63.22 H new ATOM 1783 N LYS A 112 -1.305 -8.589 25.142 1.00 53.13 N ATOM 1784 CA LYS A 112 -2.455 -8.570 26.038 1.00 32.04 C ATOM 1785 C LYS A 112 -2.581 -9.892 26.788 1.00 13.14 C ATOM 1786 O LYS A 112 -2.906 -9.916 27.976 1.00 12.14 O ATOM 1787 CB LYS A 112 -3.738 -8.294 25.251 1.00 1.22 C ATOM 1788 CG LYS A 112 -4.187 -6.844 25.310 1.00 52.22 C ATOM 1789 CD LYS A 112 -4.672 -6.355 23.954 1.00 3.24 C ATOM 1790 CE LYS A 112 -6.176 -6.522 23.807 1.00 53.22 C ATOM 1791 NZ LYS A 112 -6.552 -6.974 22.438 1.00 32.52 N ATOM 0 H LYS A 112 -1.544 -8.646 24.152 1.00 53.13 H new ATOM 0 HA LYS A 112 -2.304 -7.772 26.765 1.00 32.04 H new ATOM 0 HB2 LYS A 112 -3.583 -8.576 24.209 1.00 1.22 H new ATOM 0 HB3 LYS A 112 -4.535 -8.929 25.638 1.00 1.22 H new ATOM 0 HG2 LYS A 112 -4.987 -6.739 26.043 1.00 52.22 H new ATOM 0 HG3 LYS A 112 -3.360 -6.220 25.649 1.00 52.22 H new ATOM 0 HD2 LYS A 112 -4.407 -5.305 23.829 1.00 3.24 H new ATOM 0 HD3 LYS A 112 -4.164 -6.908 23.164 1.00 3.24 H new ATOM 0 HE2 LYS A 112 -6.535 -7.245 24.540 1.00 53.22 H new ATOM 0 HE3 LYS A 112 -6.670 -5.575 24.025 1.00 53.22 H new ATOM 0 HZ1 LYS A 112 -7.586 -7.060 22.373 1.00 32.52 H new ATOM 0 HZ2 LYS A 112 -6.217 -6.280 21.739 1.00 32.52 H new ATOM 0 HZ3 LYS A 112 -6.115 -7.898 22.245 1.00 32.52 H new ATOM 1805 N LYS A 113 -2.322 -10.991 26.089 1.00 73.54 N ATOM 1806 CA LYS A 113 -2.403 -12.317 26.688 1.00 33.54 C ATOM 1807 C LYS A 113 -1.586 -12.385 27.974 1.00 65.30 C ATOM 1808 O LYS A 113 -1.944 -13.095 28.915 1.00 42.45 O ATOM 1809 CB LYS A 113 -1.910 -13.378 25.702 1.00 43.41 C ATOM 1810 CG LYS A 113 -2.637 -14.706 25.821 1.00 22.30 C ATOM 1811 CD LYS A 113 -1.989 -15.777 24.959 1.00 52.53 C ATOM 1812 CE LYS A 113 -0.849 -16.467 25.691 1.00 63.43 C ATOM 1813 NZ LYS A 113 -1.069 -17.937 25.797 1.00 45.21 N ATOM 0 H LYS A 113 -2.054 -10.989 25.105 1.00 73.54 H new ATOM 0 HA LYS A 113 -3.447 -12.513 26.931 1.00 33.54 H new ATOM 0 HB2 LYS A 113 -2.027 -13.000 24.686 1.00 43.41 H new ATOM 0 HB3 LYS A 113 -0.844 -13.542 25.861 1.00 43.41 H new ATOM 0 HG2 LYS A 113 -2.639 -15.028 26.862 1.00 22.30 H new ATOM 0 HG3 LYS A 113 -3.678 -14.580 25.524 1.00 22.30 H new ATOM 0 HD2 LYS A 113 -2.737 -16.515 24.670 1.00 52.53 H new ATOM 0 HD3 LYS A 113 -1.613 -15.328 24.040 1.00 52.53 H new ATOM 0 HE2 LYS A 113 0.088 -16.276 25.167 1.00 63.43 H new ATOM 0 HE3 LYS A 113 -0.748 -16.042 26.689 1.00 63.43 H new ATOM 0 HZ1 LYS A 113 -0.271 -18.372 26.302 1.00 45.21 H new ATOM 0 HZ2 LYS A 113 -1.950 -18.119 26.319 1.00 45.21 H new ATOM 0 HZ3 LYS A 113 -1.140 -18.347 24.844 1.00 45.21 H new ATOM 1827 N LYS A 114 -0.486 -11.640 28.009 1.00 24.24 N ATOM 1828 CA LYS A 114 0.382 -11.612 29.181 1.00 41.15 C ATOM 1829 C LYS A 114 -0.142 -10.630 30.223 1.00 2.31 C ATOM 1830 O LYS A 114 -0.445 -11.013 31.353 1.00 5.21 O ATOM 1831 CB LYS A 114 1.808 -11.230 28.776 1.00 12.10 C ATOM 1832 CG LYS A 114 2.719 -12.425 28.555 1.00 34.23 C ATOM 1833 CD LYS A 114 3.777 -12.134 27.504 1.00 55.10 C ATOM 1834 CE LYS A 114 4.756 -13.288 27.364 1.00 61.44 C ATOM 1835 NZ LYS A 114 6.150 -12.810 27.149 1.00 64.15 N ATOM 0 H LYS A 114 -0.174 -11.048 27.239 1.00 24.24 H new ATOM 0 HA LYS A 114 0.390 -12.610 29.620 1.00 41.15 H new ATOM 0 HB2 LYS A 114 1.771 -10.638 27.861 1.00 12.10 H new ATOM 0 HB3 LYS A 114 2.238 -10.594 29.550 1.00 12.10 H new ATOM 0 HG2 LYS A 114 3.202 -12.694 29.494 1.00 34.23 H new ATOM 0 HG3 LYS A 114 2.124 -13.284 28.245 1.00 34.23 H new ATOM 0 HD2 LYS A 114 3.296 -11.945 26.544 1.00 55.10 H new ATOM 0 HD3 LYS A 114 4.318 -11.227 27.773 1.00 55.10 H new ATOM 0 HE2 LYS A 114 4.719 -13.907 28.261 1.00 61.44 H new ATOM 0 HE3 LYS A 114 4.456 -13.920 26.528 1.00 61.44 H new ATOM 0 HZ1 LYS A 114 6.787 -13.627 27.058 1.00 64.15 H new ATOM 0 HZ2 LYS A 114 6.192 -12.240 26.280 1.00 64.15 H new ATOM 0 HZ3 LYS A 114 6.446 -12.228 27.959 1.00 64.15 H new ATOM 1849 N ALA A 115 -0.247 -9.363 29.837 1.00 73.23 N ATOM 1850 CA ALA A 115 -0.737 -8.327 30.737 1.00 74.11 C ATOM 1851 C ALA A 115 0.024 -8.342 32.058 1.00 53.12 C ATOM 1852 O ALA A 115 -0.563 -8.155 33.124 1.00 64.10 O ATOM 1853 CB ALA A 115 -2.228 -8.505 30.982 1.00 13.13 C ATOM 0 H ALA A 115 0.001 -9.029 28.906 1.00 73.23 H new ATOM 0 HA ALA A 115 -0.570 -7.359 30.264 1.00 74.11 H new ATOM 0 HB1 ALA A 115 -2.582 -7.725 31.656 1.00 13.13 H new ATOM 0 HB2 ALA A 115 -2.763 -8.436 30.035 1.00 13.13 H new ATOM 0 HB3 ALA A 115 -2.409 -9.482 31.431 1.00 13.13 H new ATOM 1859 N GLN A 116 1.332 -8.567 31.979 1.00 13.32 N ATOM 1860 CA GLN A 116 2.172 -8.607 33.171 1.00 54.25 C ATOM 1861 C GLN A 116 2.018 -7.329 33.989 1.00 72.22 C ATOM 1862 O GLN A 116 2.209 -7.334 35.205 1.00 65.54 O ATOM 1863 CB GLN A 116 3.637 -8.802 32.779 1.00 21.42 C ATOM 1864 CG GLN A 116 4.491 -9.392 33.891 1.00 55.04 C ATOM 1865 CD GLN A 116 4.980 -10.790 33.571 1.00 24.01 C ATOM 1866 OE1 GLN A 116 4.359 -11.781 33.956 1.00 22.20 O ATOM 1867 NE2 GLN A 116 6.101 -10.878 32.864 1.00 33.23 N ATOM 0 H GLN A 116 1.832 -8.724 31.104 1.00 13.32 H new ATOM 0 HA GLN A 116 1.851 -9.449 33.784 1.00 54.25 H new ATOM 0 HB2 GLN A 116 3.688 -9.455 31.908 1.00 21.42 H new ATOM 0 HB3 GLN A 116 4.056 -7.841 32.481 1.00 21.42 H new ATOM 0 HG2 GLN A 116 5.348 -8.743 34.069 1.00 55.04 H new ATOM 0 HG3 GLN A 116 3.913 -9.416 34.815 1.00 55.04 H new ATOM 0 HE21 GLN A 116 6.583 -10.030 32.565 1.00 33.23 H new ATOM 0 HE22 GLN A 116 6.479 -11.793 32.620 1.00 33.23 H new ATOM 1876 N GLN A 117 1.671 -6.238 33.314 1.00 33.15 N ATOM 1877 CA GLN A 117 1.492 -4.954 33.981 1.00 52.23 C ATOM 1878 C GLN A 117 0.030 -4.734 34.355 1.00 10.34 C ATOM 1879 O GLN A 117 -0.276 -4.013 35.305 1.00 14.21 O ATOM 1880 CB GLN A 117 1.976 -3.816 33.080 1.00 2.20 C ATOM 1881 CG GLN A 117 2.030 -2.467 33.778 1.00 33.10 C ATOM 1882 CD GLN A 117 2.304 -1.325 32.821 1.00 13.20 C ATOM 1883 OE1 GLN A 117 2.699 -1.541 31.675 1.00 1.50 O ATOM 1884 NE2 GLN A 117 2.095 -0.098 33.286 1.00 73.11 N ATOM 0 H GLN A 117 1.508 -6.217 32.307 1.00 33.15 H new ATOM 0 HA GLN A 117 2.085 -4.962 34.895 1.00 52.23 H new ATOM 0 HB2 GLN A 117 2.969 -4.060 32.702 1.00 2.20 H new ATOM 0 HB3 GLN A 117 1.316 -3.742 32.216 1.00 2.20 H new ATOM 0 HG2 GLN A 117 1.084 -2.289 34.289 1.00 33.10 H new ATOM 0 HG3 GLN A 117 2.806 -2.489 34.543 1.00 33.10 H new ATOM 0 HE21 GLN A 117 1.767 0.036 34.243 1.00 73.11 H new ATOM 0 HE22 GLN A 117 2.262 0.710 32.686 1.00 73.11 H new ATOM 1893 N ALA A 118 -0.869 -5.359 33.603 1.00 53.41 N ATOM 1894 CA ALA A 118 -2.299 -5.232 33.857 1.00 33.44 C ATOM 1895 C ALA A 118 -2.833 -6.448 34.608 1.00 52.11 C ATOM 1896 O ALA A 118 -4.017 -6.773 34.521 1.00 52.21 O ATOM 1897 CB ALA A 118 -3.054 -5.045 32.550 1.00 1.40 C ATOM 0 H ALA A 118 -0.633 -5.959 32.812 1.00 53.41 H new ATOM 0 HA ALA A 118 -2.454 -4.353 34.482 1.00 33.44 H new ATOM 0 HB1 ALA A 118 -4.120 -4.952 32.756 1.00 1.40 H new ATOM 0 HB2 ALA A 118 -2.700 -4.143 32.051 1.00 1.40 H new ATOM 0 HB3 ALA A 118 -2.883 -5.907 31.905 1.00 1.40 H new ATOM 1903 N ALA A 119 -1.951 -7.118 35.343 1.00 60.53 N ATOM 1904 CA ALA A 119 -2.334 -8.297 36.109 1.00 72.12 C ATOM 1905 C ALA A 119 -1.836 -8.203 37.548 1.00 73.33 C ATOM 1906 O ALA A 119 -1.633 -9.219 38.211 1.00 33.35 O ATOM 1907 CB ALA A 119 -1.798 -9.556 35.444 1.00 63.33 C ATOM 0 H ALA A 119 -0.966 -6.864 35.424 1.00 60.53 H new ATOM 0 HA ALA A 119 -3.423 -8.347 36.132 1.00 72.12 H new ATOM 0 HB1 ALA A 119 -2.092 -10.429 36.027 1.00 63.33 H new ATOM 0 HB2 ALA A 119 -2.207 -9.638 34.437 1.00 63.33 H new ATOM 0 HB3 ALA A 119 -0.711 -9.505 35.391 1.00 63.33 H new ATOM 1913 N ALA A 120 -1.641 -6.978 38.022 1.00 41.42 N ATOM 1914 CA ALA A 120 -1.169 -6.752 39.382 1.00 43.24 C ATOM 1915 C ALA A 120 -2.241 -6.077 40.231 1.00 25.22 C ATOM 1916 O ALA A 120 -2.325 -6.306 41.437 1.00 34.13 O ATOM 1917 CB ALA A 120 0.100 -5.912 39.367 1.00 64.23 C ATOM 0 H ALA A 120 -1.803 -6.126 37.484 1.00 41.42 H new ATOM 0 HA ALA A 120 -0.946 -7.721 39.828 1.00 43.24 H new ATOM 0 HB1 ALA A 120 0.442 -5.751 40.389 1.00 64.23 H new ATOM 0 HB2 ALA A 120 0.874 -6.433 38.803 1.00 64.23 H new ATOM 0 HB3 ALA A 120 -0.106 -4.950 38.897 1.00 64.23 H new ATOM 1923 N ASP A 121 -3.056 -5.245 39.594 1.00 53.32 N ATOM 1924 CA ASP A 121 -4.124 -4.536 40.291 1.00 44.02 C ATOM 1925 C ASP A 121 -5.492 -5.009 39.812 1.00 14.12 C ATOM 1926 O ASP A 121 -6.455 -4.241 39.793 1.00 51.12 O ATOM 1927 CB ASP A 121 -3.988 -3.028 40.078 1.00 51.32 C ATOM 1928 CG ASP A 121 -2.875 -2.423 40.910 1.00 24.14 C ATOM 1929 OD1 ASP A 121 -3.096 -2.186 42.116 1.00 13.34 O ATOM 1930 OD2 ASP A 121 -1.781 -2.188 40.357 1.00 62.34 O ATOM 0 H ASP A 121 -2.998 -5.044 38.596 1.00 53.32 H new ATOM 0 HA ASP A 121 -4.037 -4.753 41.356 1.00 44.02 H new ATOM 0 HB2 ASP A 121 -3.798 -2.829 39.023 1.00 51.32 H new ATOM 0 HB3 ASP A 121 -4.931 -2.542 40.330 1.00 51.32 H new ATOM 1935 N THR A 122 -5.572 -6.278 39.424 1.00 31.45 N ATOM 1936 CA THR A 122 -6.822 -6.853 38.943 1.00 12.22 C ATOM 1937 C THR A 122 -6.964 -8.306 39.381 1.00 43.12 C ATOM 1938 O THR A 122 -6.046 -8.880 39.968 1.00 72.45 O ATOM 1939 CB THR A 122 -6.920 -6.780 37.407 1.00 2.32 C ATOM 1940 OG1 THR A 122 -5.660 -7.124 36.820 1.00 61.51 O ATOM 1941 CG2 THR A 122 -7.331 -5.386 36.958 1.00 72.45 C ATOM 0 H THR A 122 -4.785 -6.927 39.434 1.00 31.45 H new ATOM 0 HA THR A 122 -7.629 -6.264 39.380 1.00 12.22 H new ATOM 0 HB THR A 122 -7.679 -7.489 37.078 1.00 2.32 H new ATOM 0 HG1 THR A 122 -5.598 -6.731 35.924 1.00 61.51 H new ATOM 0 HG21 THR A 122 -7.394 -5.358 35.870 1.00 72.45 H new ATOM 0 HG22 THR A 122 -8.303 -5.138 37.384 1.00 72.45 H new ATOM 0 HG23 THR A 122 -6.591 -4.661 37.298 1.00 72.45 H new ATOM 1949 N GLY A 123 -8.119 -8.898 39.092 1.00 1.31 N ATOM 1950 CA GLY A 123 -8.359 -10.280 39.463 1.00 5.22 C ATOM 1951 C GLY A 123 -9.603 -10.848 38.811 1.00 54.01 C ATOM 1952 O GLY A 123 -10.652 -10.951 39.445 1.00 13.42 O ATOM 0 H GLY A 123 -8.893 -8.444 38.607 1.00 1.31 H new ATOM 0 HA2 GLY A 123 -7.497 -10.884 39.180 1.00 5.22 H new ATOM 0 HA3 GLY A 123 -8.456 -10.350 40.546 1.00 5.22 H new ATOM 1956 N ASN A 124 -9.488 -11.215 37.539 1.00 54.14 N ATOM 1957 CA ASN A 124 -10.615 -11.774 36.799 1.00 4.32 C ATOM 1958 C ASN A 124 -10.414 -13.265 36.547 1.00 21.14 C ATOM 1959 O ASN A 124 -9.331 -13.803 36.774 1.00 30.14 O ATOM 1960 CB ASN A 124 -10.792 -11.040 35.468 1.00 4.54 C ATOM 1961 CG ASN A 124 -9.829 -11.530 34.405 1.00 44.43 C ATOM 1962 OD1 ASN A 124 -8.664 -11.813 34.688 1.00 13.43 O ATOM 1963 ND2 ASN A 124 -10.311 -11.631 33.172 1.00 33.41 N ATOM 0 H ASN A 124 -8.626 -11.136 36.999 1.00 54.14 H new ATOM 0 HA ASN A 124 -11.514 -11.643 37.401 1.00 4.32 H new ATOM 0 HB2 ASN A 124 -11.815 -11.173 35.116 1.00 4.54 H new ATOM 0 HB3 ASN A 124 -10.644 -9.971 35.623 1.00 4.54 H new ATOM 0 HD21 ASN A 124 -9.709 -11.954 32.414 1.00 33.41 H new ATOM 0 HD22 ASN A 124 -11.283 -11.386 32.983 1.00 33.41 H new ATOM 1970 N ASN A 125 -11.466 -13.927 36.075 1.00 30.04 N ATOM 1971 CA ASN A 125 -11.405 -15.356 35.793 1.00 74.32 C ATOM 1972 C ASN A 125 -11.702 -15.632 34.322 1.00 44.35 C ATOM 1973 O ASN A 125 -11.145 -16.556 33.728 1.00 2.24 O ATOM 1974 CB ASN A 125 -12.399 -16.114 36.675 1.00 70.33 C ATOM 1975 CG ASN A 125 -11.739 -17.229 37.463 1.00 64.32 C ATOM 1976 OD1 ASN A 125 -11.869 -17.303 38.685 1.00 75.33 O ATOM 1977 ND2 ASN A 125 -11.024 -18.104 36.764 1.00 23.41 N ATOM 0 H ASN A 125 -12.370 -13.497 35.880 1.00 30.04 H new ATOM 0 HA ASN A 125 -10.395 -15.702 36.014 1.00 74.32 H new ATOM 0 HB2 ASN A 125 -12.873 -15.417 37.365 1.00 70.33 H new ATOM 0 HB3 ASN A 125 -13.189 -16.532 36.051 1.00 70.33 H new ATOM 0 HD21 ASN A 125 -10.556 -18.876 37.239 1.00 23.41 H new ATOM 0 HD22 ASN A 125 -10.943 -18.004 35.752 1.00 23.41 H new ATOM 1984 N SER A 126 -12.581 -14.823 33.739 1.00 43.31 N ATOM 1985 CA SER A 126 -12.952 -14.981 32.338 1.00 34.30 C ATOM 1986 C SER A 126 -11.787 -14.622 31.422 1.00 42.43 C ATOM 1987 O SER A 126 -11.497 -13.446 31.203 1.00 2.11 O ATOM 1988 CB SER A 126 -14.165 -14.107 32.009 1.00 65.13 C ATOM 1989 OG SER A 126 -15.371 -14.743 32.391 1.00 13.43 O ATOM 0 H SER A 126 -13.049 -14.052 34.215 1.00 43.31 H new ATOM 0 HA SER A 126 -13.211 -16.027 32.172 1.00 34.30 H new ATOM 0 HB2 SER A 126 -14.077 -13.149 32.522 1.00 65.13 H new ATOM 0 HB3 SER A 126 -14.185 -13.895 30.940 1.00 65.13 H new ATOM 0 HG SER A 126 -16.130 -14.163 32.172 1.00 13.43 H new ATOM 1995 N GLN A 127 -11.124 -15.643 30.889 1.00 4.33 N ATOM 1996 CA GLN A 127 -9.990 -15.435 29.996 1.00 10.44 C ATOM 1997 C GLN A 127 -10.460 -15.178 28.569 1.00 13.30 C ATOM 1998 O GLN A 127 -11.411 -15.801 28.096 1.00 43.21 O ATOM 1999 CB GLN A 127 -9.058 -16.647 30.030 1.00 35.01 C ATOM 2000 CG GLN A 127 -9.674 -17.903 29.434 1.00 72.52 C ATOM 2001 CD GLN A 127 -8.844 -19.143 29.701 1.00 63.13 C ATOM 2002 OE1 GLN A 127 -7.620 -19.127 29.564 1.00 51.51 O ATOM 2003 NE2 GLN A 127 -9.505 -20.228 30.085 1.00 52.12 N ATOM 0 H GLN A 127 -11.352 -16.622 31.060 1.00 4.33 H new ATOM 0 HA GLN A 127 -9.444 -14.557 30.341 1.00 10.44 H new ATOM 0 HB2 GLN A 127 -8.144 -16.408 29.487 1.00 35.01 H new ATOM 0 HB3 GLN A 127 -8.772 -16.847 31.063 1.00 35.01 H new ATOM 0 HG2 GLN A 127 -10.673 -18.044 29.846 1.00 72.52 H new ATOM 0 HG3 GLN A 127 -9.788 -17.772 28.358 1.00 72.52 H new ATOM 0 HE21 GLN A 127 -10.520 -20.198 30.186 1.00 52.12 H new ATOM 0 HE22 GLN A 127 -8.998 -21.092 30.279 1.00 52.12 H new ATOM 2012 N VAL A 128 -9.788 -14.257 27.886 1.00 51.44 N ATOM 2013 CA VAL A 128 -10.137 -13.918 26.511 1.00 11.41 C ATOM 2014 C VAL A 128 -9.923 -15.107 25.581 1.00 11.22 C ATOM 2015 O VAL A 128 -9.361 -16.127 25.981 1.00 63.15 O ATOM 2016 CB VAL A 128 -9.308 -12.725 26.000 1.00 71.31 C ATOM 2017 CG1 VAL A 128 -9.533 -11.502 26.876 1.00 20.44 C ATOM 2018 CG2 VAL A 128 -7.832 -13.087 25.944 1.00 65.31 C ATOM 0 H VAL A 128 -8.999 -13.732 28.262 1.00 51.44 H new ATOM 0 HA VAL A 128 -11.192 -13.645 26.510 1.00 11.41 H new ATOM 0 HB VAL A 128 -9.638 -12.483 24.990 1.00 71.31 H new ATOM 0 HG11 VAL A 128 -8.939 -10.670 26.499 1.00 20.44 H new ATOM 0 HG12 VAL A 128 -10.589 -11.231 26.859 1.00 20.44 H new ATOM 0 HG13 VAL A 128 -9.233 -11.727 27.899 1.00 20.44 H new ATOM 0 HG21 VAL A 128 -7.261 -12.232 25.581 1.00 65.31 H new ATOM 0 HG22 VAL A 128 -7.486 -13.357 26.942 1.00 65.31 H new ATOM 0 HG23 VAL A 128 -7.690 -13.931 25.270 1.00 65.31 H new ATOM 2028 N SER A 129 -10.376 -14.969 24.340 1.00 41.45 N ATOM 2029 CA SER A 129 -10.238 -16.034 23.353 1.00 42.43 C ATOM 2030 C SER A 129 -9.366 -15.582 22.185 1.00 34.23 C ATOM 2031 O SER A 129 -9.514 -14.469 21.681 1.00 33.14 O ATOM 2032 CB SER A 129 -11.614 -16.464 22.841 1.00 64.55 C ATOM 2033 OG SER A 129 -12.576 -16.438 23.880 1.00 74.30 O ATOM 0 H SER A 129 -10.842 -14.130 23.993 1.00 41.45 H new ATOM 0 HA SER A 129 -9.756 -16.884 23.836 1.00 42.43 H new ATOM 0 HB2 SER A 129 -11.928 -15.802 22.034 1.00 64.55 H new ATOM 0 HB3 SER A 129 -11.552 -17.469 22.423 1.00 64.55 H new ATOM 0 HG SER A 129 -13.447 -16.715 23.526 1.00 74.30 H new ATOM 2039 N GLN A 130 -8.457 -16.454 21.762 1.00 71.50 N ATOM 2040 CA GLN A 130 -7.560 -16.145 20.654 1.00 72.11 C ATOM 2041 C GLN A 130 -8.292 -16.239 19.319 1.00 63.54 C ATOM 2042 O GLN A 130 -9.431 -16.701 19.256 1.00 43.41 O ATOM 2043 CB GLN A 130 -6.362 -17.095 20.660 1.00 63.30 C ATOM 2044 CG GLN A 130 -5.190 -16.591 21.488 1.00 31.31 C ATOM 2045 CD GLN A 130 -5.308 -16.964 22.953 1.00 22.34 C ATOM 2046 OE1 GLN A 130 -5.661 -18.095 23.292 1.00 1.20 O ATOM 2047 NE2 GLN A 130 -5.012 -16.013 23.832 1.00 61.45 N ATOM 0 H GLN A 130 -8.322 -17.379 22.169 1.00 71.50 H new ATOM 0 HA GLN A 130 -7.204 -15.123 20.782 1.00 72.11 H new ATOM 0 HB2 GLN A 130 -6.679 -18.064 21.046 1.00 63.30 H new ATOM 0 HB3 GLN A 130 -6.030 -17.254 19.634 1.00 63.30 H new ATOM 0 HG2 GLN A 130 -4.263 -17.001 21.086 1.00 31.31 H new ATOM 0 HG3 GLN A 130 -5.125 -15.507 21.397 1.00 31.31 H new ATOM 0 HE21 GLN A 130 -4.724 -15.090 23.507 1.00 61.45 H new ATOM 0 HE22 GLN A 130 -5.073 -16.206 24.832 1.00 61.45 H new ATOM 2056 N ASN A 131 -7.629 -15.800 18.254 1.00 53.30 N ATOM 2057 CA ASN A 131 -8.216 -15.835 16.919 1.00 12.35 C ATOM 2058 C ASN A 131 -8.009 -17.198 16.269 1.00 64.33 C ATOM 2059 O ASN A 131 -7.208 -18.007 16.739 1.00 42.33 O ATOM 2060 CB ASN A 131 -7.607 -14.739 16.043 1.00 63.40 C ATOM 2061 CG ASN A 131 -7.984 -13.347 16.511 1.00 2.43 C ATOM 2062 OD1 ASN A 131 -7.120 -12.494 16.716 1.00 50.32 O ATOM 2063 ND2 ASN A 131 -9.279 -13.111 16.683 1.00 1.03 N ATOM 0 H ASN A 131 -6.685 -15.416 18.289 1.00 53.30 H new ATOM 0 HA ASN A 131 -9.287 -15.659 17.015 1.00 12.35 H new ATOM 0 HB2 ASN A 131 -6.522 -14.838 16.045 1.00 63.40 H new ATOM 0 HB3 ASN A 131 -7.938 -14.875 15.013 1.00 63.40 H new ATOM 0 HD21 ASN A 131 -9.593 -12.193 16.997 1.00 1.03 H new ATOM 0 HD22 ASN A 131 -9.960 -13.848 16.501 1.00 1.03 H new ATOM 2070 N TYR A 132 -8.733 -17.447 15.184 1.00 51.53 N ATOM 2071 CA TYR A 132 -8.629 -18.712 14.467 1.00 34.55 C ATOM 2072 C TYR A 132 -7.418 -18.717 13.541 1.00 23.15 C ATOM 2073 O TYR A 132 -7.375 -17.985 12.554 1.00 11.21 O ATOM 2074 CB TYR A 132 -9.903 -18.972 13.660 1.00 23.04 C ATOM 2075 CG TYR A 132 -10.863 -19.925 14.335 1.00 13.15 C ATOM 2076 CD1 TYR A 132 -10.700 -21.300 14.225 1.00 14.22 C ATOM 2077 CD2 TYR A 132 -11.934 -19.450 15.084 1.00 51.25 C ATOM 2078 CE1 TYR A 132 -11.576 -22.174 14.839 1.00 12.12 C ATOM 2079 CE2 TYR A 132 -12.814 -20.317 15.702 1.00 12.40 C ATOM 2080 CZ TYR A 132 -12.632 -21.678 15.576 1.00 42.40 C ATOM 2081 OH TYR A 132 -13.506 -22.545 16.190 1.00 24.11 O ATOM 0 H TYR A 132 -9.399 -16.788 14.781 1.00 51.53 H new ATOM 0 HA TYR A 132 -8.504 -19.507 15.203 1.00 34.55 H new ATOM 0 HB2 TYR A 132 -10.410 -18.024 13.482 1.00 23.04 H new ATOM 0 HB3 TYR A 132 -9.630 -19.375 12.685 1.00 23.04 H new ATOM 0 HD1 TYR A 132 -9.874 -21.692 13.650 1.00 14.22 H new ATOM 0 HD2 TYR A 132 -12.080 -18.385 15.184 1.00 51.25 H new ATOM 0 HE1 TYR A 132 -11.435 -23.240 14.743 1.00 12.12 H new ATOM 0 HE2 TYR A 132 -13.640 -19.931 16.281 1.00 12.40 H new ATOM 0 HH TYR A 132 -14.191 -22.034 16.669 1.00 24.11 H new TER 2091 TYR A 132 HETATM 2092 C1 MYR A 1 8.054 13.870 -0.228 1.00 63.11 C HETATM 2093 O1 MYR A 1 7.523 14.977 -0.160 1.00 32.23 O HETATM 2094 C2 MYR A 1 7.238 12.645 0.187 1.00 71.41 C HETATM 2095 C3 MYR A 1 7.314 11.457 -0.801 1.00 72.12 C HETATM 2096 C4 MYR A 1 6.269 11.571 -1.926 1.00 31.12 C HETATM 2097 C5 MYR A 1 4.862 11.156 -1.456 1.00 31.31 C HETATM 2098 C6 MYR A 1 4.525 9.702 -1.840 1.00 5.21 C HETATM 2099 C7 MYR A 1 4.315 8.807 -0.603 1.00 55.55 C HETATM 2100 C8 MYR A 1 3.223 7.745 -0.832 1.00 43.13 C HETATM 2101 C9 MYR A 1 3.794 6.314 -0.823 1.00 41.10 C HETATM 2102 C10 MYR A 1 2.767 5.273 -1.316 1.00 61.33 C HETATM 2103 C11 MYR A 1 2.408 4.192 -0.275 1.00 14.53 C HETATM 2104 C12 MYR A 1 2.198 2.784 -0.867 1.00 61.24 C HETATM 2105 C13 MYR A 1 0.796 2.227 -0.563 1.00 33.10 C HETATM 2106 C14 MYR A 1 0.774 0.692 -0.587 1.00 14.12 C HETATM 0 H143 MYR A 1 1.075 0.339 -1.573 1.00 14.12 H new HETATM 0 H142 MYR A 1 1.465 0.306 0.163 1.00 14.12 H new HETATM 0 H141 MYR A 1 -0.234 0.339 -0.368 1.00 14.12 H new HETATM 0 H132 MYR A 1 0.469 2.580 0.415 1.00 33.10 H new HETATM 0 H131 MYR A 1 0.086 2.612 -1.295 1.00 33.10 H new HETATM 0 H122 MYR A 1 2.346 2.820 -1.946 1.00 61.24 H new HETATM 0 H121 MYR A 1 2.951 2.107 -0.464 1.00 61.24 H new HETATM 0 H112 MYR A 1 3.202 4.145 0.471 1.00 14.53 H new HETATM 0 H111 MYR A 1 1.499 4.494 0.246 1.00 14.53 H new HETATM 0 H102 MYR A 1 1.855 5.792 -1.613 1.00 61.33 H new HETATM 0 H101 MYR A 1 3.161 4.785 -2.208 1.00 61.33 H new HETATM 0 H92 MYR A 1 4.681 6.275 -1.456 1.00 41.10 H new HETATM 0 H91 MYR A 1 4.112 6.058 0.188 1.00 41.10 H new HETATM 0 H82 MYR A 1 2.462 7.836 -0.057 1.00 43.13 H new HETATM 0 H81 MYR A 1 2.731 7.932 -1.786 1.00 43.13 H new HETATM 0 H72 MYR A 1 5.253 8.313 -0.351 1.00 55.55 H new HETATM 0 H71 MYR A 1 4.042 9.428 0.250 1.00 55.55 H new HETATM 0 H62 MYR A 1 3.624 9.689 -2.453 1.00 5.21 H new HETATM 0 H61 MYR A 1 5.331 9.293 -2.450 1.00 5.21 H new HETATM 0 H52 MYR A 1 4.794 11.269 -0.374 1.00 31.31 H new HETATM 0 H51 MYR A 1 4.122 11.826 -1.894 1.00 31.31 H new HETATM 0 H42 MYR A 1 6.240 12.598 -2.291 1.00 31.12 H new HETATM 0 H41 MYR A 1 6.570 10.943 -2.765 1.00 31.12 H new HETATM 0 H32 MYR A 1 8.312 11.412 -1.237 1.00 72.12 H new HETATM 0 H31 MYR A 1 7.161 10.524 -0.258 1.00 72.12 H new HETATM 0 H22 MYR A 1 7.582 12.310 1.165 1.00 71.41 H new HETATM 0 H21 MYR A 1 6.195 12.941 0.300 1.00 71.41 H new