USER MOD reduce.3.24.130724 H: found=0, std=0, add=1062, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1061 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 MET CE :methyl -123:sc= -0.179 (180deg=-0.543) USER MOD Set 1.2: A 89 HIS : no HD1:sc= -0.499 K(o=-0.68,f=-5.8!) USER MOD Set 2.1: A 31 HIS : no HD1:sc= -4.65 K(o=-7.2,f=-3.6!) USER MOD Set 2.2: A 33 GLN : amide:sc= -2.59 K(o=-7.2,f=-3.6) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 74:sc= 0.411 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= -0.314 K(o=-0.31,f=-0.85) USER MOD Single : A 35 SER OG : rot -59:sc= 0.149 USER MOD Single : A 38 THR OG1 : rot -160:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HE2:sc= -0.317 K(o=-0.32,f=-1.5) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0864 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 153:sc= 0.531 USER MOD Single : A 78 THR OG1 : rot 96:sc= 0.576 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -0.135 X(o=-0.14,f=-0.13) USER MOD Single : A 102 HIS : no HE2:sc= 0.457 K(o=0.46,f=-1.5!) USER MOD Single : A 103 CYS SG : rot -91:sc= -3.01! USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl 142:sc= 0 (180deg=-1.02) USER MOD Single : A 113 CYS SG : rot 69:sc= -1.8 USER MOD Single : A 114 SER OG : rot 180:sc= -0.0899 USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 135 ASN : amide:sc= -0.331 K(o=-0.33,f=-2.9!) USER MOD Single : A 141 TYR OH : rot -39:sc= 0.166 USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 -3.433 13.692 8.865 1.00 11.03 N ATOM 21 CA ALA A 2 -2.115 13.376 8.253 1.00 43.13 C ATOM 22 C ALA A 2 -1.869 11.839 8.215 1.00 54.03 C ATOM 23 O ALA A 2 -0.968 11.357 7.520 1.00 20.52 O ATOM 24 CB ALA A 2 -0.994 14.090 9.023 1.00 24.21 C ATOM 0 HA ALA A 2 -2.117 13.735 7.224 1.00 43.13 H new ATOM 0 HB1 ALA A 2 -0.032 13.853 8.568 1.00 24.21 H new ATOM 0 HB2 ALA A 2 -1.157 15.167 8.987 1.00 24.21 H new ATOM 0 HB3 ALA A 2 -0.996 13.757 10.061 1.00 24.21 H new ATOM 30 N THR A 3 -2.691 11.090 8.982 1.00 22.23 N ATOM 31 CA THR A 3 -2.659 9.612 9.046 1.00 71.41 C ATOM 32 C THR A 3 -3.842 9.027 8.239 1.00 42.04 C ATOM 33 O THR A 3 -5.001 9.153 8.642 1.00 53.31 O ATOM 34 CB THR A 3 -2.728 9.105 10.534 1.00 73.21 C ATOM 35 OG1 THR A 3 -1.692 9.740 11.306 1.00 35.13 O ATOM 36 CG2 THR A 3 -2.574 7.571 10.646 1.00 42.54 C ATOM 0 H THR A 3 -3.406 11.501 9.583 1.00 22.23 H new ATOM 0 HA THR A 3 -1.717 9.273 8.614 1.00 71.41 H new ATOM 0 HB THR A 3 -3.714 9.367 10.919 1.00 73.21 H new ATOM 0 HG1 THR A 3 -1.736 9.426 12.233 1.00 35.13 H new ATOM 0 HG21 THR A 3 -2.629 7.275 11.694 1.00 42.54 H new ATOM 0 HG22 THR A 3 -3.374 7.083 10.089 1.00 42.54 H new ATOM 0 HG23 THR A 3 -1.610 7.271 10.235 1.00 42.54 H new ATOM 44 N LEU A 4 -3.533 8.412 7.091 1.00 51.54 N ATOM 45 CA LEU A 4 -4.535 7.778 6.199 1.00 62.23 C ATOM 46 C LEU A 4 -4.631 6.275 6.509 1.00 55.44 C ATOM 47 O LEU A 4 -3.620 5.628 6.782 1.00 53.14 O ATOM 48 CB LEU A 4 -4.153 7.975 4.692 1.00 1.04 C ATOM 49 CG LEU A 4 -4.395 9.391 4.065 1.00 53.13 C ATOM 50 CD1 LEU A 4 -3.646 10.515 4.817 1.00 71.24 C ATOM 51 CD2 LEU A 4 -4.018 9.390 2.565 1.00 61.35 C ATOM 0 H LEU A 4 -2.577 8.335 6.745 1.00 51.54 H new ATOM 0 HA LEU A 4 -5.498 8.255 6.378 1.00 62.23 H new ATOM 0 HB2 LEU A 4 -3.096 7.732 4.578 1.00 1.04 H new ATOM 0 HB3 LEU A 4 -4.712 7.247 4.105 1.00 1.04 H new ATOM 0 HG LEU A 4 -5.459 9.604 4.166 1.00 53.13 H new ATOM 0 HD11 LEU A 4 -3.851 11.472 4.338 1.00 71.24 H new ATOM 0 HD12 LEU A 4 -3.984 10.548 5.853 1.00 71.24 H new ATOM 0 HD13 LEU A 4 -2.574 10.319 4.791 1.00 71.24 H new ATOM 0 HD21 LEU A 4 -4.192 10.381 2.145 1.00 61.35 H new ATOM 0 HD22 LEU A 4 -2.965 9.129 2.455 1.00 61.35 H new ATOM 0 HD23 LEU A 4 -4.630 8.659 2.036 1.00 61.35 H new ATOM 63 N ARG A 5 -5.855 5.737 6.482 1.00 41.13 N ATOM 64 CA ARG A 5 -6.104 4.290 6.630 1.00 74.40 C ATOM 65 C ARG A 5 -7.321 3.877 5.775 1.00 12.25 C ATOM 66 O ARG A 5 -8.419 4.421 5.935 1.00 62.42 O ATOM 67 CB ARG A 5 -6.336 3.926 8.124 1.00 14.43 C ATOM 68 CG ARG A 5 -6.542 2.414 8.394 1.00 30.02 C ATOM 69 CD ARG A 5 -6.822 2.103 9.878 1.00 43.22 C ATOM 70 NE ARG A 5 -6.996 0.657 10.126 1.00 24.34 N ATOM 71 CZ ARG A 5 -8.152 0.021 10.202 1.00 54.51 C ATOM 72 NH1 ARG A 5 -9.282 0.631 9.983 1.00 43.11 N ATOM 73 NH2 ARG A 5 -8.165 -1.239 10.479 1.00 13.32 N ATOM 0 H ARG A 5 -6.704 6.288 6.357 1.00 41.13 H new ATOM 0 HA ARG A 5 -5.228 3.744 6.281 1.00 74.40 H new ATOM 0 HB2 ARG A 5 -5.482 4.273 8.706 1.00 14.43 H new ATOM 0 HB3 ARG A 5 -7.209 4.469 8.485 1.00 14.43 H new ATOM 0 HG2 ARG A 5 -7.373 2.052 7.789 1.00 30.02 H new ATOM 0 HG3 ARG A 5 -5.654 1.869 8.075 1.00 30.02 H new ATOM 0 HD2 ARG A 5 -5.999 2.477 10.487 1.00 43.22 H new ATOM 0 HD3 ARG A 5 -7.720 2.634 10.195 1.00 43.22 H new ATOM 0 HE ARG A 5 -6.150 0.101 10.249 1.00 24.34 H new ATOM 0 HH11 ARG A 5 -9.288 1.623 9.746 1.00 43.11 H new ATOM 0 HH12 ARG A 5 -10.160 0.116 10.048 1.00 43.11 H new ATOM 0 HH21 ARG A 5 -7.288 -1.735 10.637 1.00 13.32 H new ATOM 0 HH22 ARG A 5 -9.052 -1.739 10.540 1.00 13.32 H new ATOM 87 N ARG A 6 -7.112 2.910 4.868 1.00 71.44 N ATOM 88 CA ARG A 6 -8.179 2.345 4.010 1.00 72.13 C ATOM 89 C ARG A 6 -8.173 0.813 4.101 1.00 12.43 C ATOM 90 O ARG A 6 -7.133 0.206 4.311 1.00 44.32 O ATOM 91 CB ARG A 6 -8.039 2.802 2.531 1.00 63.51 C ATOM 92 CG ARG A 6 -8.287 4.315 2.306 1.00 14.44 C ATOM 93 CD ARG A 6 -8.611 4.657 0.841 1.00 21.55 C ATOM 94 NE ARG A 6 -9.870 4.032 0.389 1.00 35.13 N ATOM 95 CZ ARG A 6 -11.036 4.647 0.260 1.00 73.53 C ATOM 96 NH1 ARG A 6 -11.160 5.917 0.500 1.00 52.12 N ATOM 97 NH2 ARG A 6 -12.074 3.974 -0.112 1.00 55.34 N ATOM 0 H ARG A 6 -6.196 2.493 4.704 1.00 71.44 H new ATOM 0 HA ARG A 6 -9.133 2.723 4.377 1.00 72.13 H new ATOM 0 HB2 ARG A 6 -7.038 2.553 2.179 1.00 63.51 H new ATOM 0 HB3 ARG A 6 -8.741 2.236 1.920 1.00 63.51 H new ATOM 0 HG2 ARG A 6 -9.111 4.641 2.941 1.00 14.44 H new ATOM 0 HG3 ARG A 6 -7.404 4.873 2.617 1.00 14.44 H new ATOM 0 HD2 ARG A 6 -8.684 5.739 0.730 1.00 21.55 H new ATOM 0 HD3 ARG A 6 -7.792 4.325 0.202 1.00 21.55 H new ATOM 0 HE ARG A 6 -9.839 3.040 0.156 1.00 35.13 H new ATOM 0 HH11 ARG A 6 -10.350 6.462 0.794 1.00 52.12 H new ATOM 0 HH12 ARG A 6 -12.068 6.370 0.394 1.00 52.12 H new ATOM 0 HH21 ARG A 6 -11.992 2.976 -0.304 1.00 55.34 H new ATOM 0 HH22 ARG A 6 -12.975 4.441 -0.213 1.00 55.34 H new ATOM 111 N SER A 7 -9.350 0.209 3.926 1.00 33.42 N ATOM 112 CA SER A 7 -9.554 -1.249 4.073 1.00 0.44 C ATOM 113 C SER A 7 -10.497 -1.778 2.969 1.00 15.44 C ATOM 114 O SER A 7 -11.439 -1.087 2.568 1.00 54.15 O ATOM 115 CB SER A 7 -10.146 -1.533 5.475 1.00 52.44 C ATOM 116 OG SER A 7 -11.417 -0.918 5.647 1.00 45.33 O ATOM 0 H SER A 7 -10.200 0.714 3.676 1.00 33.42 H new ATOM 0 HA SER A 7 -8.598 -1.763 3.970 1.00 0.44 H new ATOM 0 HB2 SER A 7 -10.241 -2.609 5.618 1.00 52.44 H new ATOM 0 HB3 SER A 7 -9.460 -1.169 6.240 1.00 52.44 H new ATOM 0 HG SER A 7 -11.760 -1.121 6.542 1.00 45.33 H new ATOM 122 N VAL A 8 -10.255 -3.012 2.487 1.00 1.20 N ATOM 123 CA VAL A 8 -11.052 -3.611 1.377 1.00 22.21 C ATOM 124 C VAL A 8 -11.413 -5.090 1.676 1.00 12.53 C ATOM 125 O VAL A 8 -10.629 -5.815 2.285 1.00 51.31 O ATOM 126 CB VAL A 8 -10.270 -3.506 0.012 1.00 33.12 C ATOM 127 CG1 VAL A 8 -9.018 -4.419 0.001 1.00 2.11 C ATOM 128 CG2 VAL A 8 -11.195 -3.788 -1.201 1.00 23.41 C ATOM 0 H VAL A 8 -9.517 -3.620 2.842 1.00 1.20 H new ATOM 0 HA VAL A 8 -11.981 -3.046 1.294 1.00 22.21 H new ATOM 0 HB VAL A 8 -9.921 -2.478 -0.082 1.00 33.12 H new ATOM 0 HG11 VAL A 8 -8.504 -4.320 -0.955 1.00 2.11 H new ATOM 0 HG12 VAL A 8 -8.345 -4.124 0.806 1.00 2.11 H new ATOM 0 HG13 VAL A 8 -9.322 -5.456 0.144 1.00 2.11 H new ATOM 0 HG21 VAL A 8 -10.620 -3.706 -2.124 1.00 23.41 H new ATOM 0 HG22 VAL A 8 -11.607 -4.794 -1.118 1.00 23.41 H new ATOM 0 HG23 VAL A 8 -12.008 -3.062 -1.215 1.00 23.41 H new ATOM 138 N GLU A 9 -12.611 -5.517 1.241 1.00 53.31 N ATOM 139 CA GLU A 9 -13.102 -6.900 1.419 1.00 64.41 C ATOM 140 C GLU A 9 -12.693 -7.780 0.212 1.00 71.31 C ATOM 141 O GLU A 9 -13.207 -7.610 -0.897 1.00 62.34 O ATOM 142 CB GLU A 9 -14.648 -6.887 1.581 1.00 33.13 C ATOM 143 CG GLU A 9 -15.150 -5.996 2.733 1.00 3.31 C ATOM 144 CD GLU A 9 -16.683 -5.917 2.819 1.00 35.33 C ATOM 145 OE1 GLU A 9 -17.284 -5.089 2.096 1.00 22.21 O ATOM 146 OE2 GLU A 9 -17.296 -6.679 3.604 1.00 3.22 O ATOM 0 H GLU A 9 -13.271 -4.912 0.753 1.00 53.31 H new ATOM 0 HA GLU A 9 -12.652 -7.324 2.317 1.00 64.41 H new ATOM 0 HB2 GLU A 9 -15.098 -6.545 0.649 1.00 33.13 H new ATOM 0 HB3 GLU A 9 -14.994 -7.907 1.747 1.00 33.13 H new ATOM 0 HG2 GLU A 9 -14.760 -6.379 3.676 1.00 3.31 H new ATOM 0 HG3 GLU A 9 -14.748 -4.991 2.607 1.00 3.31 H new ATOM 153 N VAL A 10 -11.751 -8.701 0.443 1.00 62.22 N ATOM 154 CA VAL A 10 -11.252 -9.647 -0.578 1.00 43.12 C ATOM 155 C VAL A 10 -11.899 -11.036 -0.387 1.00 20.04 C ATOM 156 O VAL A 10 -11.877 -11.593 0.717 1.00 42.50 O ATOM 157 CB VAL A 10 -9.690 -9.752 -0.493 1.00 12.43 C ATOM 158 CG1 VAL A 10 -9.126 -10.851 -1.426 1.00 3.14 C ATOM 159 CG2 VAL A 10 -9.054 -8.378 -0.802 1.00 73.12 C ATOM 0 H VAL A 10 -11.304 -8.817 1.353 1.00 62.22 H new ATOM 0 HA VAL A 10 -11.525 -9.275 -1.566 1.00 43.12 H new ATOM 0 HB VAL A 10 -9.428 -10.044 0.524 1.00 12.43 H new ATOM 0 HG11 VAL A 10 -8.041 -10.886 -1.332 1.00 3.14 H new ATOM 0 HG12 VAL A 10 -9.546 -11.817 -1.145 1.00 3.14 H new ATOM 0 HG13 VAL A 10 -9.394 -10.625 -2.458 1.00 3.14 H new ATOM 0 HG21 VAL A 10 -7.969 -8.458 -0.741 1.00 73.12 H new ATOM 0 HG22 VAL A 10 -9.339 -8.063 -1.806 1.00 73.12 H new ATOM 0 HG23 VAL A 10 -9.405 -7.643 -0.077 1.00 73.12 H new ATOM 169 N ALA A 11 -12.492 -11.575 -1.468 1.00 61.54 N ATOM 170 CA ALA A 11 -13.079 -12.929 -1.483 1.00 4.24 C ATOM 171 C ALA A 11 -11.985 -14.023 -1.655 1.00 61.45 C ATOM 172 O ALA A 11 -11.947 -14.727 -2.669 1.00 74.21 O ATOM 173 CB ALA A 11 -14.151 -13.003 -2.589 1.00 65.43 C ATOM 0 H ALA A 11 -12.578 -11.084 -2.358 1.00 61.54 H new ATOM 0 HA ALA A 11 -13.555 -13.125 -0.522 1.00 4.24 H new ATOM 0 HB1 ALA A 11 -14.589 -14.001 -2.605 1.00 65.43 H new ATOM 0 HB2 ALA A 11 -14.931 -12.268 -2.390 1.00 65.43 H new ATOM 0 HB3 ALA A 11 -13.692 -12.792 -3.555 1.00 65.43 H new ATOM 179 N ALA A 12 -11.103 -14.144 -0.638 1.00 70.12 N ATOM 180 CA ALA A 12 -9.993 -15.131 -0.614 1.00 12.20 C ATOM 181 C ALA A 12 -9.286 -15.151 0.774 1.00 22.43 C ATOM 182 O ALA A 12 -9.360 -14.164 1.520 1.00 1.43 O ATOM 183 CB ALA A 12 -8.965 -14.823 -1.725 1.00 31.53 C ATOM 0 H ALA A 12 -11.139 -13.557 0.196 1.00 70.12 H new ATOM 0 HA ALA A 12 -10.424 -16.116 -0.794 1.00 12.20 H new ATOM 0 HB1 ALA A 12 -8.160 -15.557 -1.690 1.00 31.53 H new ATOM 0 HB2 ALA A 12 -9.456 -14.868 -2.697 1.00 31.53 H new ATOM 0 HB3 ALA A 12 -8.553 -13.826 -1.573 1.00 31.53 H new ATOM 189 N PRO A 13 -8.623 -16.298 1.159 1.00 23.42 N ATOM 190 CA PRO A 13 -7.696 -16.351 2.334 1.00 15.23 C ATOM 191 C PRO A 13 -6.528 -15.310 2.267 1.00 54.03 C ATOM 192 O PRO A 13 -5.940 -15.082 1.202 1.00 70.31 O ATOM 193 CB PRO A 13 -7.158 -17.818 2.318 1.00 13.23 C ATOM 194 CG PRO A 13 -7.561 -18.392 0.986 1.00 31.14 C ATOM 195 CD PRO A 13 -8.799 -17.646 0.548 1.00 45.22 C ATOM 0 HA PRO A 13 -8.215 -16.088 3.256 1.00 15.23 H new ATOM 0 HB2 PRO A 13 -6.075 -17.838 2.440 1.00 13.23 H new ATOM 0 HB3 PRO A 13 -7.582 -18.398 3.138 1.00 13.23 H new ATOM 0 HG2 PRO A 13 -6.760 -18.275 0.256 1.00 31.14 H new ATOM 0 HG3 PRO A 13 -7.762 -19.460 1.070 1.00 31.14 H new ATOM 0 HD2 PRO A 13 -8.871 -17.589 -0.538 1.00 45.22 H new ATOM 0 HD3 PRO A 13 -9.708 -18.132 0.902 1.00 45.22 H new ATOM 203 N ALA A 14 -6.225 -14.693 3.434 1.00 31.54 N ATOM 204 CA ALA A 14 -5.200 -13.618 3.603 1.00 64.24 C ATOM 205 C ALA A 14 -3.785 -13.965 3.076 1.00 1.15 C ATOM 206 O ALA A 14 -3.087 -13.093 2.547 1.00 74.40 O ATOM 207 CB ALA A 14 -5.119 -13.235 5.095 1.00 70.40 C ATOM 0 H ALA A 14 -6.694 -14.930 4.309 1.00 31.54 H new ATOM 0 HA ALA A 14 -5.536 -12.784 2.986 1.00 64.24 H new ATOM 0 HB1 ALA A 14 -4.374 -12.451 5.229 1.00 70.40 H new ATOM 0 HB2 ALA A 14 -6.091 -12.873 5.431 1.00 70.40 H new ATOM 0 HB3 ALA A 14 -4.835 -14.110 5.680 1.00 70.40 H new ATOM 213 N ALA A 15 -3.361 -15.222 3.271 1.00 41.44 N ATOM 214 CA ALA A 15 -2.023 -15.708 2.849 1.00 22.33 C ATOM 215 C ALA A 15 -1.813 -15.606 1.316 1.00 62.24 C ATOM 216 O ALA A 15 -0.729 -15.223 0.848 1.00 10.23 O ATOM 217 CB ALA A 15 -1.827 -17.151 3.332 1.00 10.12 C ATOM 0 H ALA A 15 -3.930 -15.937 3.725 1.00 41.44 H new ATOM 0 HA ALA A 15 -1.272 -15.064 3.307 1.00 22.33 H new ATOM 0 HB1 ALA A 15 -0.845 -17.508 3.022 1.00 10.12 H new ATOM 0 HB2 ALA A 15 -1.899 -17.184 4.419 1.00 10.12 H new ATOM 0 HB3 ALA A 15 -2.598 -17.788 2.898 1.00 10.12 H new ATOM 223 N ASP A 16 -2.855 -15.973 0.550 1.00 42.25 N ATOM 224 CA ASP A 16 -2.882 -15.833 -0.929 1.00 10.41 C ATOM 225 C ASP A 16 -2.725 -14.364 -1.383 1.00 21.10 C ATOM 226 O ASP A 16 -2.086 -14.085 -2.406 1.00 23.13 O ATOM 227 CB ASP A 16 -4.199 -16.429 -1.482 1.00 21.35 C ATOM 228 CG ASP A 16 -4.301 -17.941 -1.238 1.00 50.12 C ATOM 229 OD1 ASP A 16 -4.406 -18.355 -0.062 1.00 72.54 O ATOM 230 OD2 ASP A 16 -4.246 -18.728 -2.211 1.00 44.21 O ATOM 0 H ASP A 16 -3.709 -16.377 0.934 1.00 42.25 H new ATOM 0 HA ASP A 16 -2.030 -16.382 -1.330 1.00 10.41 H new ATOM 0 HB2 ASP A 16 -5.047 -15.929 -1.013 1.00 21.35 H new ATOM 0 HB3 ASP A 16 -4.264 -16.231 -2.552 1.00 21.35 H new ATOM 235 N VAL A 17 -3.309 -13.438 -0.610 1.00 13.14 N ATOM 236 CA VAL A 17 -3.212 -11.988 -0.875 1.00 65.11 C ATOM 237 C VAL A 17 -1.804 -11.443 -0.523 1.00 11.41 C ATOM 238 O VAL A 17 -1.303 -10.547 -1.196 1.00 64.42 O ATOM 239 CB VAL A 17 -4.306 -11.182 -0.093 1.00 51.24 C ATOM 240 CG1 VAL A 17 -4.269 -9.678 -0.464 1.00 12.23 C ATOM 241 CG2 VAL A 17 -5.711 -11.788 -0.336 1.00 31.34 C ATOM 0 H VAL A 17 -3.862 -13.668 0.216 1.00 13.14 H new ATOM 0 HA VAL A 17 -3.383 -11.851 -1.943 1.00 65.11 H new ATOM 0 HB VAL A 17 -4.086 -11.260 0.972 1.00 51.24 H new ATOM 0 HG11 VAL A 17 -5.039 -9.146 0.095 1.00 12.23 H new ATOM 0 HG12 VAL A 17 -3.291 -9.266 -0.216 1.00 12.23 H new ATOM 0 HG13 VAL A 17 -4.451 -9.562 -1.532 1.00 12.23 H new ATOM 0 HG21 VAL A 17 -6.455 -11.214 0.216 1.00 31.34 H new ATOM 0 HG22 VAL A 17 -5.943 -11.754 -1.401 1.00 31.34 H new ATOM 0 HG23 VAL A 17 -5.725 -12.823 0.006 1.00 31.34 H new ATOM 251 N TRP A 18 -1.178 -11.985 0.546 1.00 11.30 N ATOM 252 CA TRP A 18 0.213 -11.620 0.932 1.00 62.11 C ATOM 253 C TRP A 18 1.232 -12.049 -0.158 1.00 40.35 C ATOM 254 O TRP A 18 2.232 -11.366 -0.392 1.00 74.35 O ATOM 255 CB TRP A 18 0.591 -12.232 2.310 1.00 30.12 C ATOM 256 CG TRP A 18 2.018 -11.924 2.738 1.00 4.51 C ATOM 257 CD1 TRP A 18 3.064 -12.804 2.847 1.00 4.34 C ATOM 258 CD2 TRP A 18 2.558 -10.629 3.064 1.00 63.11 C ATOM 259 NE1 TRP A 18 4.197 -12.140 3.234 1.00 4.51 N ATOM 260 CE2 TRP A 18 3.916 -10.810 3.370 1.00 24.32 C ATOM 261 CE3 TRP A 18 2.021 -9.337 3.126 1.00 73.11 C ATOM 262 CZ2 TRP A 18 4.747 -9.755 3.739 1.00 21.21 C ATOM 263 CZ3 TRP A 18 2.848 -8.290 3.492 1.00 54.23 C ATOM 264 CH2 TRP A 18 4.202 -8.508 3.791 1.00 24.42 C ATOM 0 H TRP A 18 -1.610 -12.676 1.159 1.00 11.30 H new ATOM 0 HA TRP A 18 0.254 -10.534 1.021 1.00 62.11 H new ATOM 0 HB2 TRP A 18 -0.097 -11.855 3.067 1.00 30.12 H new ATOM 0 HB3 TRP A 18 0.458 -13.313 2.268 1.00 30.12 H new ATOM 0 HD1 TRP A 18 3.003 -13.865 2.656 1.00 4.34 H new ATOM 0 HE1 TRP A 18 5.108 -12.571 3.395 1.00 4.51 H new ATOM 0 HE3 TRP A 18 0.981 -9.161 2.893 1.00 73.11 H new ATOM 0 HZ2 TRP A 18 5.788 -9.920 3.976 1.00 21.21 H new ATOM 0 HZ3 TRP A 18 2.446 -7.289 3.549 1.00 54.23 H new ATOM 0 HH2 TRP A 18 4.824 -7.670 4.068 1.00 24.42 H new ATOM 275 N THR A 19 0.950 -13.185 -0.817 1.00 5.43 N ATOM 276 CA THR A 19 1.707 -13.659 -2.006 1.00 0.14 C ATOM 277 C THR A 19 1.668 -12.613 -3.168 1.00 65.22 C ATOM 278 O THR A 19 2.536 -12.597 -4.035 1.00 5.31 O ATOM 279 CB THR A 19 1.115 -15.034 -2.496 1.00 12.53 C ATOM 280 OG1 THR A 19 1.100 -15.974 -1.404 1.00 33.01 O ATOM 281 CG2 THR A 19 1.896 -15.659 -3.669 1.00 23.42 C ATOM 0 H THR A 19 0.190 -13.808 -0.546 1.00 5.43 H new ATOM 0 HA THR A 19 2.749 -13.790 -1.714 1.00 0.14 H new ATOM 0 HB THR A 19 0.107 -14.820 -2.852 1.00 12.53 H new ATOM 0 HG1 THR A 19 0.383 -15.738 -0.779 1.00 33.01 H new ATOM 0 HG21 THR A 19 1.432 -16.603 -3.953 1.00 23.42 H new ATOM 0 HG22 THR A 19 1.882 -14.977 -4.519 1.00 23.42 H new ATOM 0 HG23 THR A 19 2.927 -15.839 -3.365 1.00 23.42 H new ATOM 289 N LEU A 20 0.634 -11.753 -3.165 1.00 50.43 N ATOM 290 CA LEU A 20 0.426 -10.700 -4.189 1.00 32.44 C ATOM 291 C LEU A 20 1.004 -9.309 -3.758 1.00 42.23 C ATOM 292 O LEU A 20 1.863 -8.746 -4.454 1.00 31.21 O ATOM 293 CB LEU A 20 -1.098 -10.629 -4.484 1.00 44.52 C ATOM 294 CG LEU A 20 -1.565 -9.669 -5.618 1.00 64.21 C ATOM 295 CD1 LEU A 20 -0.826 -9.939 -6.943 1.00 51.42 C ATOM 296 CD2 LEU A 20 -3.093 -9.767 -5.817 1.00 73.35 C ATOM 0 H LEU A 20 -0.091 -11.765 -2.447 1.00 50.43 H new ATOM 0 HA LEU A 20 0.976 -10.961 -5.093 1.00 32.44 H new ATOM 0 HB2 LEU A 20 -1.440 -11.634 -4.731 1.00 44.52 H new ATOM 0 HB3 LEU A 20 -1.606 -10.337 -3.565 1.00 44.52 H new ATOM 0 HG LEU A 20 -1.315 -8.654 -5.309 1.00 64.21 H new ATOM 0 HD11 LEU A 20 -1.183 -9.247 -7.706 1.00 51.42 H new ATOM 0 HD12 LEU A 20 0.245 -9.798 -6.798 1.00 51.42 H new ATOM 0 HD13 LEU A 20 -1.017 -10.963 -7.264 1.00 51.42 H new ATOM 0 HD21 LEU A 20 -3.400 -9.089 -6.613 1.00 73.35 H new ATOM 0 HD22 LEU A 20 -3.360 -10.789 -6.087 1.00 73.35 H new ATOM 0 HD23 LEU A 20 -3.599 -9.492 -4.891 1.00 73.35 H new ATOM 308 N VAL A 21 0.527 -8.768 -2.614 1.00 32.22 N ATOM 309 CA VAL A 21 0.936 -7.422 -2.100 1.00 63.12 C ATOM 310 C VAL A 21 2.371 -7.406 -1.523 1.00 54.44 C ATOM 311 O VAL A 21 3.086 -6.405 -1.654 1.00 11.32 O ATOM 312 CB VAL A 21 -0.046 -6.880 -0.981 1.00 23.13 C ATOM 313 CG1 VAL A 21 -1.475 -6.709 -1.521 1.00 70.41 C ATOM 314 CG2 VAL A 21 -0.053 -7.778 0.289 1.00 31.31 C ATOM 0 H VAL A 21 -0.150 -9.242 -2.016 1.00 32.22 H new ATOM 0 HA VAL A 21 0.895 -6.773 -2.975 1.00 63.12 H new ATOM 0 HB VAL A 21 0.335 -5.901 -0.689 1.00 23.13 H new ATOM 0 HG11 VAL A 21 -2.122 -6.336 -0.727 1.00 70.41 H new ATOM 0 HG12 VAL A 21 -1.469 -5.999 -2.348 1.00 70.41 H new ATOM 0 HG13 VAL A 21 -1.849 -7.671 -1.872 1.00 70.41 H new ATOM 0 HG21 VAL A 21 -0.742 -7.363 1.025 1.00 31.31 H new ATOM 0 HG22 VAL A 21 -0.373 -8.785 0.021 1.00 31.31 H new ATOM 0 HG23 VAL A 21 0.950 -7.817 0.713 1.00 31.31 H new ATOM 324 N GLY A 22 2.768 -8.535 -0.905 1.00 54.24 N ATOM 325 CA GLY A 22 3.968 -8.613 -0.061 1.00 31.33 C ATOM 326 C GLY A 22 5.273 -8.243 -0.753 1.00 63.35 C ATOM 327 O GLY A 22 6.070 -7.479 -0.201 1.00 44.32 O ATOM 0 H GLY A 22 2.263 -9.418 -0.979 1.00 54.24 H new ATOM 0 HA2 GLY A 22 3.832 -7.956 0.798 1.00 31.33 H new ATOM 0 HA3 GLY A 22 4.055 -9.628 0.325 1.00 31.33 H new ATOM 331 N ASP A 23 5.462 -8.774 -1.977 1.00 1.10 N ATOM 332 CA ASP A 23 6.727 -8.694 -2.755 1.00 43.03 C ATOM 333 C ASP A 23 7.394 -7.291 -2.796 1.00 13.53 C ATOM 334 O ASP A 23 8.625 -7.221 -2.875 1.00 55.52 O ATOM 335 CB ASP A 23 6.484 -9.178 -4.199 1.00 71.25 C ATOM 336 CG ASP A 23 6.109 -10.659 -4.277 1.00 71.03 C ATOM 337 OD1 ASP A 23 4.934 -11.000 -4.036 1.00 25.23 O ATOM 338 OD2 ASP A 23 7.000 -11.496 -4.554 1.00 33.41 O ATOM 0 H ASP A 23 4.727 -9.283 -2.468 1.00 1.10 H new ATOM 0 HA ASP A 23 7.426 -9.340 -2.224 1.00 43.03 H new ATOM 0 HB2 ASP A 23 5.688 -8.583 -4.647 1.00 71.25 H new ATOM 0 HB3 ASP A 23 7.383 -9.005 -4.791 1.00 71.25 H new ATOM 343 N PHE A 24 6.569 -6.207 -2.743 1.00 11.02 N ATOM 344 CA PHE A 24 7.017 -4.785 -2.815 1.00 12.54 C ATOM 345 C PHE A 24 7.441 -4.399 -4.264 1.00 71.42 C ATOM 346 O PHE A 24 6.847 -3.506 -4.871 1.00 53.31 O ATOM 347 CB PHE A 24 8.131 -4.478 -1.753 1.00 4.31 C ATOM 348 CG PHE A 24 8.591 -3.019 -1.665 1.00 24.11 C ATOM 349 CD1 PHE A 24 7.731 -2.027 -1.190 1.00 54.14 C ATOM 350 CD2 PHE A 24 9.887 -2.643 -2.033 1.00 72.10 C ATOM 351 CE1 PHE A 24 8.150 -0.711 -1.095 1.00 22.23 C ATOM 352 CE2 PHE A 24 10.302 -1.325 -1.938 1.00 12.34 C ATOM 353 CZ PHE A 24 9.434 -0.360 -1.465 1.00 62.40 C ATOM 0 H PHE A 24 5.558 -6.298 -2.647 1.00 11.02 H new ATOM 0 HA PHE A 24 6.168 -4.151 -2.560 1.00 12.54 H new ATOM 0 HB2 PHE A 24 7.764 -4.782 -0.773 1.00 4.31 H new ATOM 0 HB3 PHE A 24 8.999 -5.099 -1.976 1.00 4.31 H new ATOM 0 HD1 PHE A 24 6.726 -2.290 -0.893 1.00 54.14 H new ATOM 0 HD2 PHE A 24 10.575 -3.392 -2.397 1.00 72.10 H new ATOM 0 HE1 PHE A 24 7.470 0.045 -0.730 1.00 22.23 H new ATOM 0 HE2 PHE A 24 11.304 -1.052 -2.234 1.00 12.34 H new ATOM 0 HZ PHE A 24 9.759 0.667 -1.385 1.00 62.40 H new ATOM 363 N SER A 25 8.446 -5.100 -4.816 1.00 11.33 N ATOM 364 CA SER A 25 8.882 -4.953 -6.232 1.00 50.25 C ATOM 365 C SER A 25 7.743 -5.272 -7.243 1.00 15.33 C ATOM 366 O SER A 25 7.571 -4.592 -8.263 1.00 31.21 O ATOM 367 CB SER A 25 10.055 -5.909 -6.515 1.00 70.14 C ATOM 368 OG SER A 25 9.683 -7.267 -6.315 1.00 41.35 O ATOM 0 H SER A 25 8.987 -5.791 -4.297 1.00 11.33 H new ATOM 0 HA SER A 25 9.178 -3.912 -6.364 1.00 50.25 H new ATOM 0 HB2 SER A 25 10.397 -5.772 -7.541 1.00 70.14 H new ATOM 0 HB3 SER A 25 10.893 -5.661 -5.863 1.00 70.14 H new ATOM 0 HG SER A 25 10.449 -7.847 -6.505 1.00 41.35 H new ATOM 374 N ALA A 26 6.932 -6.293 -6.911 1.00 75.51 N ATOM 375 CA ALA A 26 5.987 -6.928 -7.854 1.00 22.31 C ATOM 376 C ALA A 26 4.550 -6.400 -7.660 1.00 54.22 C ATOM 377 O ALA A 26 3.571 -7.073 -7.983 1.00 52.24 O ATOM 378 CB ALA A 26 6.063 -8.451 -7.686 1.00 34.43 C ATOM 0 H ALA A 26 6.912 -6.704 -5.978 1.00 75.51 H new ATOM 0 HA ALA A 26 6.270 -6.670 -8.874 1.00 22.31 H new ATOM 0 HB1 ALA A 26 5.369 -8.928 -8.378 1.00 34.43 H new ATOM 0 HB2 ALA A 26 7.077 -8.790 -7.897 1.00 34.43 H new ATOM 0 HB3 ALA A 26 5.797 -8.718 -6.663 1.00 34.43 H new ATOM 384 N ILE A 27 4.455 -5.159 -7.164 1.00 40.34 N ATOM 385 CA ILE A 27 3.181 -4.441 -6.957 1.00 61.33 C ATOM 386 C ILE A 27 2.411 -4.193 -8.299 1.00 72.50 C ATOM 387 O ILE A 27 1.186 -4.069 -8.306 1.00 61.33 O ATOM 388 CB ILE A 27 3.441 -3.095 -6.171 1.00 52.12 C ATOM 389 CG1 ILE A 27 2.101 -2.361 -5.868 1.00 23.35 C ATOM 390 CG2 ILE A 27 4.435 -2.180 -6.927 1.00 60.34 C ATOM 391 CD1 ILE A 27 2.176 -1.191 -4.900 1.00 14.00 C ATOM 0 H ILE A 27 5.272 -4.613 -6.890 1.00 40.34 H new ATOM 0 HA ILE A 27 2.532 -5.075 -6.353 1.00 61.33 H new ATOM 0 HB ILE A 27 3.903 -3.349 -5.217 1.00 52.12 H new ATOM 0 HG12 ILE A 27 1.689 -1.999 -6.810 1.00 23.35 H new ATOM 0 HG13 ILE A 27 1.395 -3.089 -5.470 1.00 23.35 H new ATOM 0 HG21 ILE A 27 4.591 -1.263 -6.358 1.00 60.34 H new ATOM 0 HG22 ILE A 27 5.386 -2.698 -7.048 1.00 60.34 H new ATOM 0 HG23 ILE A 27 4.029 -1.934 -7.908 1.00 60.34 H new ATOM 0 HD11 ILE A 27 1.182 -0.762 -4.770 1.00 14.00 H new ATOM 0 HD12 ILE A 27 2.551 -1.539 -3.937 1.00 14.00 H new ATOM 0 HD13 ILE A 27 2.849 -0.432 -5.298 1.00 14.00 H new ATOM 403 N HIS A 28 3.144 -4.196 -9.436 1.00 40.22 N ATOM 404 CA HIS A 28 2.551 -4.069 -10.800 1.00 25.01 C ATOM 405 C HIS A 28 1.712 -5.323 -11.227 1.00 12.45 C ATOM 406 O HIS A 28 1.121 -5.335 -12.309 1.00 42.42 O ATOM 407 CB HIS A 28 3.673 -3.768 -11.837 1.00 5.51 C ATOM 408 CG HIS A 28 4.731 -4.841 -11.974 1.00 34.34 C ATOM 409 ND1 HIS A 28 5.762 -5.013 -11.068 1.00 12.23 N ATOM 410 CD2 HIS A 28 4.916 -5.793 -12.925 1.00 22.42 C ATOM 411 CE1 HIS A 28 6.524 -6.016 -11.457 1.00 54.04 C ATOM 412 NE2 HIS A 28 6.036 -6.505 -12.577 1.00 74.24 N ATOM 0 H HIS A 28 4.160 -4.286 -9.441 1.00 40.22 H new ATOM 0 HA HIS A 28 1.849 -3.236 -10.770 1.00 25.01 H new ATOM 0 HB2 HIS A 28 3.211 -3.609 -12.812 1.00 5.51 H new ATOM 0 HB3 HIS A 28 4.160 -2.833 -11.559 1.00 5.51 H new ATOM 0 HD2 HIS A 28 4.296 -5.959 -13.794 1.00 22.42 H new ATOM 0 HE1 HIS A 28 7.402 -6.376 -10.942 1.00 54.04 H new ATOM 0 HE2 HIS A 28 6.427 -7.287 -13.102 1.00 74.24 H new ATOM 421 N ARG A 29 1.687 -6.374 -10.375 1.00 35.32 N ATOM 422 CA ARG A 29 0.837 -7.583 -10.573 1.00 54.34 C ATOM 423 C ARG A 29 -0.653 -7.326 -10.214 1.00 60.41 C ATOM 424 O ARG A 29 -1.542 -8.040 -10.699 1.00 11.14 O ATOM 425 CB ARG A 29 1.383 -8.761 -9.709 1.00 70.35 C ATOM 426 CG ARG A 29 2.689 -9.414 -10.228 1.00 55.23 C ATOM 427 CD ARG A 29 3.361 -10.320 -9.171 1.00 70.32 C ATOM 428 NE ARG A 29 2.441 -11.304 -8.563 1.00 73.24 N ATOM 429 CZ ARG A 29 2.465 -11.696 -7.296 1.00 43.30 C ATOM 430 NH1 ARG A 29 3.283 -11.163 -6.438 1.00 72.32 N ATOM 431 NH2 ARG A 29 1.645 -12.609 -6.891 1.00 40.42 N ATOM 0 H ARG A 29 2.254 -6.413 -9.528 1.00 35.32 H new ATOM 0 HA ARG A 29 0.882 -7.838 -11.632 1.00 54.34 H new ATOM 0 HB2 ARG A 29 1.556 -8.397 -8.696 1.00 70.35 H new ATOM 0 HB3 ARG A 29 0.613 -9.530 -9.644 1.00 70.35 H new ATOM 0 HG2 ARG A 29 2.468 -10.003 -11.118 1.00 55.23 H new ATOM 0 HG3 ARG A 29 3.387 -8.633 -10.528 1.00 55.23 H new ATOM 0 HD2 ARG A 29 4.192 -10.851 -9.635 1.00 70.32 H new ATOM 0 HD3 ARG A 29 3.782 -9.695 -8.384 1.00 70.32 H new ATOM 0 HE ARG A 29 1.729 -11.715 -9.167 1.00 73.24 H new ATOM 0 HH11 ARG A 29 3.924 -10.427 -6.734 1.00 72.32 H new ATOM 0 HH12 ARG A 29 3.284 -11.481 -5.469 1.00 72.32 H new ATOM 0 HH21 ARG A 29 0.982 -13.026 -7.545 1.00 40.42 H new ATOM 0 HH22 ARG A 29 1.661 -12.913 -5.917 1.00 40.42 H new ATOM 445 N TRP A 30 -0.925 -6.330 -9.343 1.00 32.32 N ATOM 446 CA TRP A 30 -2.304 -6.039 -8.865 1.00 23.14 C ATOM 447 C TRP A 30 -2.692 -4.558 -8.997 1.00 62.42 C ATOM 448 O TRP A 30 -3.849 -4.237 -9.304 1.00 12.51 O ATOM 449 CB TRP A 30 -2.491 -6.496 -7.397 1.00 75.41 C ATOM 450 CG TRP A 30 -1.542 -5.872 -6.384 1.00 45.42 C ATOM 451 CD1 TRP A 30 -0.239 -6.221 -6.153 1.00 51.41 C ATOM 452 CD2 TRP A 30 -1.834 -4.812 -5.453 1.00 15.53 C ATOM 453 NE1 TRP A 30 0.285 -5.451 -5.154 1.00 2.34 N ATOM 454 CE2 TRP A 30 -0.670 -4.583 -4.704 1.00 10.23 C ATOM 455 CE3 TRP A 30 -2.967 -4.038 -5.183 1.00 11.54 C ATOM 456 CZ2 TRP A 30 -0.603 -3.615 -3.703 1.00 62.35 C ATOM 457 CZ3 TRP A 30 -2.901 -3.079 -4.188 1.00 55.42 C ATOM 458 CH2 TRP A 30 -1.724 -2.874 -3.458 1.00 51.01 C ATOM 0 H TRP A 30 -0.213 -5.712 -8.954 1.00 32.32 H new ATOM 0 HA TRP A 30 -2.969 -6.608 -9.515 1.00 23.14 H new ATOM 0 HB2 TRP A 30 -3.514 -6.273 -7.094 1.00 75.41 H new ATOM 0 HB3 TRP A 30 -2.376 -7.579 -7.356 1.00 75.41 H new ATOM 0 HD1 TRP A 30 0.297 -6.994 -6.684 1.00 51.41 H new ATOM 0 HE1 TRP A 30 1.239 -5.514 -4.799 1.00 2.34 H new ATOM 0 HE3 TRP A 30 -3.879 -4.186 -5.742 1.00 11.54 H new ATOM 0 HZ2 TRP A 30 0.305 -3.456 -3.140 1.00 62.35 H new ATOM 0 HZ3 TRP A 30 -3.772 -2.478 -3.971 1.00 55.42 H new ATOM 0 HH2 TRP A 30 -1.702 -2.117 -2.688 1.00 51.01 H new ATOM 469 N HIS A 31 -1.733 -3.666 -8.746 1.00 12.13 N ATOM 470 CA HIS A 31 -1.990 -2.224 -8.644 1.00 42.12 C ATOM 471 C HIS A 31 -1.839 -1.560 -10.047 1.00 73.31 C ATOM 472 O HIS A 31 -0.719 -1.445 -10.557 1.00 22.22 O ATOM 473 CB HIS A 31 -1.025 -1.611 -7.612 1.00 42.05 C ATOM 474 CG HIS A 31 -1.427 -0.247 -7.129 1.00 1.42 C ATOM 475 ND1 HIS A 31 -1.342 0.861 -7.934 1.00 13.02 N ATOM 476 CD2 HIS A 31 -1.908 0.123 -5.925 1.00 55.01 C ATOM 477 CE1 HIS A 31 -1.777 1.864 -7.205 1.00 70.42 C ATOM 478 NE2 HIS A 31 -2.131 1.467 -5.984 1.00 4.33 N ATOM 0 H HIS A 31 -0.755 -3.920 -8.607 1.00 12.13 H new ATOM 0 HA HIS A 31 -3.010 -2.044 -8.304 1.00 42.12 H new ATOM 0 HB2 HIS A 31 -0.953 -2.281 -6.755 1.00 42.05 H new ATOM 0 HB3 HIS A 31 -0.030 -1.550 -8.053 1.00 42.05 H new ATOM 0 HD2 HIS A 31 -2.083 -0.522 -5.076 1.00 55.01 H new ATOM 0 HE1 HIS A 31 -1.840 2.884 -7.553 1.00 70.42 H new ATOM 0 HE2 HIS A 31 -2.498 2.055 -5.236 1.00 4.33 H new ATOM 486 N PRO A 32 -2.973 -1.123 -10.690 1.00 64.05 N ATOM 487 CA PRO A 32 -2.978 -0.650 -12.110 1.00 74.13 C ATOM 488 C PRO A 32 -2.249 0.703 -12.347 1.00 12.31 C ATOM 489 O PRO A 32 -1.812 0.985 -13.469 1.00 74.10 O ATOM 490 CB PRO A 32 -4.491 -0.541 -12.429 1.00 41.20 C ATOM 491 CG PRO A 32 -5.148 -0.303 -11.107 1.00 1.44 C ATOM 492 CD PRO A 32 -4.338 -1.069 -10.092 1.00 34.41 C ATOM 0 HA PRO A 32 -2.427 -1.333 -12.756 1.00 74.13 H new ATOM 0 HB2 PRO A 32 -4.691 0.276 -13.122 1.00 41.20 H new ATOM 0 HB3 PRO A 32 -4.863 -1.453 -12.896 1.00 41.20 H new ATOM 0 HG2 PRO A 32 -5.167 0.760 -10.868 1.00 1.44 H new ATOM 0 HG3 PRO A 32 -6.183 -0.646 -11.119 1.00 1.44 H new ATOM 0 HD2 PRO A 32 -4.331 -0.566 -9.125 1.00 34.41 H new ATOM 0 HD3 PRO A 32 -4.743 -2.068 -9.929 1.00 34.41 H new ATOM 500 N GLN A 33 -2.131 1.528 -11.293 1.00 15.02 N ATOM 501 CA GLN A 33 -1.460 2.854 -11.373 1.00 4.32 C ATOM 502 C GLN A 33 0.080 2.732 -11.291 1.00 61.30 C ATOM 503 O GLN A 33 0.793 3.691 -11.608 1.00 53.45 O ATOM 504 CB GLN A 33 -2.009 3.792 -10.267 1.00 33.35 C ATOM 505 CG GLN A 33 -3.455 4.316 -10.517 1.00 33.53 C ATOM 506 CD GLN A 33 -4.299 4.463 -9.248 1.00 63.23 C ATOM 507 OE1 GLN A 33 -5.097 5.383 -9.109 1.00 55.31 O ATOM 508 NE2 GLN A 33 -4.194 3.496 -8.350 1.00 11.32 N ATOM 0 H GLN A 33 -2.492 1.305 -10.365 1.00 15.02 H new ATOM 0 HA GLN A 33 -1.686 3.288 -12.347 1.00 4.32 H new ATOM 0 HB2 GLN A 33 -1.989 3.260 -9.316 1.00 33.35 H new ATOM 0 HB3 GLN A 33 -1.339 4.646 -10.169 1.00 33.35 H new ATOM 0 HG2 GLN A 33 -3.397 5.284 -11.015 1.00 33.53 H new ATOM 0 HG3 GLN A 33 -3.963 3.635 -11.200 1.00 33.53 H new ATOM 0 HE21 GLN A 33 -3.522 2.742 -8.489 1.00 11.32 H new ATOM 0 HE22 GLN A 33 -4.785 3.505 -7.519 1.00 11.32 H new ATOM 517 N VAL A 34 0.585 1.565 -10.845 1.00 53.33 N ATOM 518 CA VAL A 34 2.028 1.261 -10.895 1.00 64.32 C ATOM 519 C VAL A 34 2.519 1.089 -12.356 1.00 72.12 C ATOM 520 O VAL A 34 2.231 0.080 -13.013 1.00 34.54 O ATOM 521 CB VAL A 34 2.360 -0.024 -10.061 1.00 5.10 C ATOM 522 CG1 VAL A 34 3.862 -0.384 -10.139 1.00 21.20 C ATOM 523 CG2 VAL A 34 1.911 0.155 -8.598 1.00 25.54 C ATOM 0 H VAL A 34 0.015 0.819 -10.447 1.00 53.33 H new ATOM 0 HA VAL A 34 2.554 2.108 -10.455 1.00 64.32 H new ATOM 0 HB VAL A 34 1.806 -0.856 -10.495 1.00 5.10 H new ATOM 0 HG11 VAL A 34 4.053 -1.280 -9.548 1.00 21.20 H new ATOM 0 HG12 VAL A 34 4.139 -0.568 -11.177 1.00 21.20 H new ATOM 0 HG13 VAL A 34 4.455 0.442 -9.747 1.00 21.20 H new ATOM 0 HG21 VAL A 34 2.148 -0.746 -8.032 1.00 25.54 H new ATOM 0 HG22 VAL A 34 2.431 1.007 -8.160 1.00 25.54 H new ATOM 0 HG23 VAL A 34 0.836 0.331 -8.566 1.00 25.54 H new ATOM 533 N SER A 35 3.264 2.092 -12.851 1.00 15.00 N ATOM 534 CA SER A 35 3.885 2.063 -14.199 1.00 51.11 C ATOM 535 C SER A 35 5.297 1.424 -14.138 1.00 4.13 C ATOM 536 O SER A 35 6.296 2.025 -14.549 1.00 53.42 O ATOM 537 CB SER A 35 3.935 3.494 -14.773 1.00 42.11 C ATOM 538 OG SER A 35 4.421 3.526 -16.115 1.00 22.32 O ATOM 0 H SER A 35 3.457 2.949 -12.332 1.00 15.00 H new ATOM 0 HA SER A 35 3.280 1.445 -14.863 1.00 51.11 H new ATOM 0 HB2 SER A 35 2.937 3.930 -14.741 1.00 42.11 H new ATOM 0 HB3 SER A 35 4.574 4.113 -14.143 1.00 42.11 H new ATOM 0 HG SER A 35 5.324 3.147 -16.145 1.00 22.32 H new ATOM 544 N ALA A 36 5.325 0.198 -13.588 1.00 72.03 N ATOM 545 CA ALA A 36 6.527 -0.672 -13.480 1.00 34.11 C ATOM 546 C ALA A 36 7.692 -0.027 -12.647 1.00 60.14 C ATOM 547 O ALA A 36 8.384 0.876 -13.136 1.00 10.34 O ATOM 548 CB ALA A 36 7.007 -1.117 -14.879 1.00 33.52 C ATOM 0 H ALA A 36 4.491 -0.235 -13.192 1.00 72.03 H new ATOM 0 HA ALA A 36 6.221 -1.556 -12.920 1.00 34.11 H new ATOM 0 HB1 ALA A 36 7.887 -1.752 -14.777 1.00 33.52 H new ATOM 0 HB2 ALA A 36 6.213 -1.674 -15.376 1.00 33.52 H new ATOM 0 HB3 ALA A 36 7.261 -0.239 -15.473 1.00 33.52 H new ATOM 554 N PRO A 37 7.932 -0.486 -11.369 1.00 51.01 N ATOM 555 CA PRO A 37 8.989 0.073 -10.502 1.00 1.12 C ATOM 556 C PRO A 37 10.359 -0.659 -10.655 1.00 0.04 C ATOM 557 O PRO A 37 10.413 -1.860 -10.937 1.00 21.52 O ATOM 558 CB PRO A 37 8.367 -0.113 -9.103 1.00 44.35 C ATOM 559 CG PRO A 37 7.575 -1.393 -9.196 1.00 11.32 C ATOM 560 CD PRO A 37 7.204 -1.580 -10.668 1.00 60.41 C ATOM 0 HA PRO A 37 9.246 1.105 -10.739 1.00 1.12 H new ATOM 0 HB2 PRO A 37 9.137 -0.180 -8.334 1.00 44.35 H new ATOM 0 HB3 PRO A 37 7.727 0.729 -8.840 1.00 44.35 H new ATOM 0 HG2 PRO A 37 8.162 -2.238 -8.836 1.00 11.32 H new ATOM 0 HG3 PRO A 37 6.680 -1.339 -8.576 1.00 11.32 H new ATOM 0 HD2 PRO A 37 7.509 -2.560 -11.034 1.00 60.41 H new ATOM 0 HD3 PRO A 37 6.127 -1.504 -10.820 1.00 60.41 H new ATOM 568 N THR A 38 11.460 0.083 -10.468 1.00 12.21 N ATOM 569 CA THR A 38 12.835 -0.458 -10.603 1.00 22.30 C ATOM 570 C THR A 38 13.430 -0.749 -9.209 1.00 4.22 C ATOM 571 O THR A 38 13.671 0.176 -8.425 1.00 41.34 O ATOM 572 CB THR A 38 13.750 0.533 -11.396 1.00 72.40 C ATOM 573 OG1 THR A 38 13.144 0.820 -12.667 1.00 13.34 O ATOM 574 CG2 THR A 38 15.160 -0.028 -11.637 1.00 4.25 C ATOM 0 H THR A 38 11.431 1.072 -10.220 1.00 12.21 H new ATOM 0 HA THR A 38 12.785 -1.391 -11.165 1.00 22.30 H new ATOM 0 HB THR A 38 13.850 1.435 -10.792 1.00 72.40 H new ATOM 0 HG1 THR A 38 13.824 1.164 -13.283 1.00 13.34 H new ATOM 0 HG21 THR A 38 15.752 0.701 -12.191 1.00 4.25 H new ATOM 0 HG22 THR A 38 15.639 -0.232 -10.679 1.00 4.25 H new ATOM 0 HG23 THR A 38 15.091 -0.952 -12.212 1.00 4.25 H new ATOM 582 N LEU A 39 13.691 -2.034 -8.926 1.00 63.13 N ATOM 583 CA LEU A 39 14.088 -2.502 -7.583 1.00 41.40 C ATOM 584 C LEU A 39 15.634 -2.437 -7.459 1.00 5.22 C ATOM 585 O LEU A 39 16.354 -3.182 -8.129 1.00 71.25 O ATOM 586 CB LEU A 39 13.514 -3.940 -7.332 1.00 51.44 C ATOM 587 CG LEU A 39 13.404 -4.446 -5.847 1.00 72.52 C ATOM 588 CD1 LEU A 39 14.771 -4.715 -5.203 1.00 31.40 C ATOM 589 CD2 LEU A 39 12.556 -3.485 -4.980 1.00 53.25 C ATOM 0 H LEU A 39 13.634 -2.780 -9.619 1.00 63.13 H new ATOM 0 HA LEU A 39 13.671 -1.857 -6.809 1.00 41.40 H new ATOM 0 HB2 LEU A 39 12.518 -3.983 -7.773 1.00 51.44 H new ATOM 0 HB3 LEU A 39 14.136 -4.648 -7.880 1.00 51.44 H new ATOM 0 HG LEU A 39 12.888 -5.405 -5.892 1.00 72.52 H new ATOM 0 HD11 LEU A 39 14.629 -5.061 -4.179 1.00 31.40 H new ATOM 0 HD12 LEU A 39 15.299 -5.479 -5.775 1.00 31.40 H new ATOM 0 HD13 LEU A 39 15.358 -3.796 -5.197 1.00 31.40 H new ATOM 0 HD21 LEU A 39 12.502 -3.867 -3.960 1.00 53.25 H new ATOM 0 HD22 LEU A 39 13.018 -2.498 -4.974 1.00 53.25 H new ATOM 0 HD23 LEU A 39 11.550 -3.413 -5.394 1.00 53.25 H new ATOM 601 N ARG A 40 16.128 -1.527 -6.596 1.00 70.04 N ATOM 602 CA ARG A 40 17.570 -1.241 -6.434 1.00 1.44 C ATOM 603 C ARG A 40 18.127 -1.917 -5.152 1.00 13.24 C ATOM 604 O ARG A 40 17.658 -1.614 -4.044 1.00 32.21 O ATOM 605 CB ARG A 40 17.799 0.298 -6.342 1.00 60.51 C ATOM 606 CG ARG A 40 17.028 1.139 -7.381 1.00 11.23 C ATOM 607 CD ARG A 40 17.390 2.639 -7.315 1.00 55.12 C ATOM 608 NE ARG A 40 17.303 3.192 -5.945 1.00 55.32 N ATOM 609 CZ ARG A 40 17.183 4.466 -5.634 1.00 33.11 C ATOM 610 NH1 ARG A 40 17.002 5.377 -6.541 1.00 53.14 N ATOM 611 NH2 ARG A 40 17.219 4.812 -4.395 1.00 42.51 N ATOM 0 H ARG A 40 15.534 -0.965 -5.987 1.00 70.04 H new ATOM 0 HA ARG A 40 18.095 -1.642 -7.301 1.00 1.44 H new ATOM 0 HB2 ARG A 40 17.515 0.633 -5.344 1.00 60.51 H new ATOM 0 HB3 ARG A 40 18.865 0.498 -6.454 1.00 60.51 H new ATOM 0 HG2 ARG A 40 17.242 0.761 -8.381 1.00 11.23 H new ATOM 0 HG3 ARG A 40 15.957 1.020 -7.218 1.00 11.23 H new ATOM 0 HD2 ARG A 40 18.402 2.781 -7.695 1.00 55.12 H new ATOM 0 HD3 ARG A 40 16.722 3.198 -7.970 1.00 55.12 H new ATOM 0 HE ARG A 40 17.339 2.527 -5.173 1.00 55.32 H new ATOM 0 HH11 ARG A 40 16.949 5.114 -7.525 1.00 53.14 H new ATOM 0 HH12 ARG A 40 16.912 6.356 -6.270 1.00 53.14 H new ATOM 0 HH21 ARG A 40 17.339 4.104 -3.671 1.00 42.51 H new ATOM 0 HH22 ARG A 40 17.128 5.795 -4.137 1.00 42.51 H new ATOM 625 N GLY A 41 19.167 -2.762 -5.332 1.00 62.41 N ATOM 626 CA GLY A 41 19.865 -3.502 -4.253 1.00 32.44 C ATOM 627 C GLY A 41 19.018 -4.176 -3.144 1.00 62.21 C ATOM 628 O GLY A 41 17.783 -4.188 -3.190 1.00 51.13 O ATOM 0 H GLY A 41 19.555 -2.954 -6.255 1.00 62.41 H new ATOM 0 HA2 GLY A 41 20.471 -4.277 -4.722 1.00 32.44 H new ATOM 0 HA3 GLY A 41 20.553 -2.809 -3.768 1.00 32.44 H new ATOM 632 N ALA A 42 19.733 -4.807 -2.179 1.00 50.40 N ATOM 633 CA ALA A 42 19.175 -5.406 -0.925 1.00 72.41 C ATOM 634 C ALA A 42 18.311 -6.693 -1.111 1.00 12.44 C ATOM 635 O ALA A 42 18.360 -7.554 -0.236 1.00 32.25 O ATOM 636 CB ALA A 42 18.410 -4.365 -0.081 1.00 5.34 C ATOM 0 H ALA A 42 20.744 -4.920 -2.247 1.00 50.40 H new ATOM 0 HA ALA A 42 20.064 -5.735 -0.387 1.00 72.41 H new ATOM 0 HB1 ALA A 42 18.022 -4.841 0.819 1.00 5.34 H new ATOM 0 HB2 ALA A 42 19.085 -3.556 0.198 1.00 5.34 H new ATOM 0 HB3 ALA A 42 17.582 -3.961 -0.664 1.00 5.34 H new ATOM 642 N SER A 43 17.589 -6.825 -2.259 1.00 74.23 N ATOM 643 CA SER A 43 16.508 -7.836 -2.516 1.00 22.10 C ATOM 644 C SER A 43 15.138 -7.352 -1.936 1.00 11.03 C ATOM 645 O SER A 43 15.091 -6.838 -0.814 1.00 20.13 O ATOM 646 CB SER A 43 16.850 -9.270 -2.009 1.00 41.20 C ATOM 647 OG SER A 43 18.029 -9.768 -2.625 1.00 21.43 O ATOM 0 H SER A 43 17.744 -6.214 -3.061 1.00 74.23 H new ATOM 0 HA SER A 43 16.429 -7.914 -3.600 1.00 22.10 H new ATOM 0 HB2 SER A 43 16.982 -9.254 -0.927 1.00 41.20 H new ATOM 0 HB3 SER A 43 16.017 -9.941 -2.219 1.00 41.20 H new ATOM 0 HG SER A 43 18.220 -10.668 -2.287 1.00 21.43 H new ATOM 653 N PRO A 44 13.992 -7.532 -2.688 1.00 14.30 N ATOM 654 CA PRO A 44 12.661 -6.933 -2.320 1.00 35.00 C ATOM 655 C PRO A 44 12.002 -7.518 -1.039 1.00 14.05 C ATOM 656 O PRO A 44 11.027 -6.954 -0.525 1.00 23.24 O ATOM 657 CB PRO A 44 11.793 -7.237 -3.567 1.00 12.24 C ATOM 658 CG PRO A 44 12.411 -8.456 -4.176 1.00 73.51 C ATOM 659 CD PRO A 44 13.899 -8.317 -3.954 1.00 71.24 C ATOM 0 HA PRO A 44 12.770 -5.877 -2.075 1.00 35.00 H new ATOM 0 HB2 PRO A 44 10.754 -7.416 -3.291 1.00 12.24 H new ATOM 0 HB3 PRO A 44 11.798 -6.400 -4.266 1.00 12.24 H new ATOM 0 HG2 PRO A 44 12.029 -9.363 -3.708 1.00 73.51 H new ATOM 0 HG3 PRO A 44 12.179 -8.523 -5.239 1.00 73.51 H new ATOM 0 HD2 PRO A 44 14.383 -9.289 -3.860 1.00 71.24 H new ATOM 0 HD3 PRO A 44 14.382 -7.800 -4.783 1.00 71.24 H new ATOM 667 N HIS A 45 12.509 -8.666 -0.566 1.00 74.21 N ATOM 668 CA HIS A 45 12.037 -9.301 0.691 1.00 43.05 C ATOM 669 C HIS A 45 12.879 -8.843 1.912 1.00 2.54 C ATOM 670 O HIS A 45 12.473 -9.038 3.063 1.00 25.33 O ATOM 671 CB HIS A 45 12.052 -10.844 0.542 1.00 14.21 C ATOM 672 CG HIS A 45 11.023 -11.363 -0.434 1.00 23.12 C ATOM 673 ND1 HIS A 45 9.891 -12.028 -0.035 1.00 3.12 N ATOM 674 CD2 HIS A 45 10.938 -11.282 -1.791 1.00 71.40 C ATOM 675 CE1 HIS A 45 9.158 -12.327 -1.081 1.00 35.41 C ATOM 676 NE2 HIS A 45 9.765 -11.890 -2.162 1.00 23.01 N ATOM 0 H HIS A 45 13.253 -9.184 -1.034 1.00 74.21 H new ATOM 0 HA HIS A 45 11.012 -8.980 0.875 1.00 43.05 H new ATOM 0 HB2 HIS A 45 13.043 -11.160 0.216 1.00 14.21 H new ATOM 0 HB3 HIS A 45 11.877 -11.297 1.518 1.00 14.21 H new ATOM 0 HD1 HIS A 45 9.655 -12.256 0.931 1.00 3.12 H new ATOM 0 HD2 HIS A 45 11.659 -10.825 -2.452 1.00 71.40 H new ATOM 0 HE1 HIS A 45 8.212 -12.847 -1.058 1.00 35.41 H new ATOM 685 N THR A 46 14.038 -8.222 1.640 1.00 23.23 N ATOM 686 CA THR A 46 14.989 -7.753 2.674 1.00 73.10 C ATOM 687 C THR A 46 14.755 -6.247 3.003 1.00 71.25 C ATOM 688 O THR A 46 14.782 -5.417 2.086 1.00 44.11 O ATOM 689 CB THR A 46 16.459 -7.950 2.176 1.00 53.33 C ATOM 690 OG1 THR A 46 16.656 -9.306 1.740 1.00 22.31 O ATOM 691 CG2 THR A 46 17.512 -7.609 3.244 1.00 64.42 C ATOM 0 H THR A 46 14.349 -8.027 0.688 1.00 23.23 H new ATOM 0 HA THR A 46 14.824 -8.340 3.577 1.00 73.10 H new ATOM 0 HB THR A 46 16.597 -7.255 1.348 1.00 53.33 H new ATOM 0 HG1 THR A 46 17.578 -9.419 1.429 1.00 22.31 H new ATOM 0 HG21 THR A 46 18.510 -7.767 2.835 1.00 64.42 H new ATOM 0 HG22 THR A 46 17.403 -6.566 3.543 1.00 64.42 H new ATOM 0 HG23 THR A 46 17.370 -8.252 4.113 1.00 64.42 H new ATOM 699 N PRO A 47 14.506 -5.884 4.314 1.00 64.30 N ATOM 700 CA PRO A 47 14.375 -4.463 4.774 1.00 35.43 C ATOM 701 C PRO A 47 15.515 -3.522 4.279 1.00 5.30 C ATOM 702 O PRO A 47 16.614 -3.521 4.843 1.00 22.52 O ATOM 703 CB PRO A 47 14.398 -4.602 6.319 1.00 14.43 C ATOM 704 CG PRO A 47 13.806 -5.953 6.577 1.00 32.31 C ATOM 705 CD PRO A 47 14.289 -6.834 5.446 1.00 12.55 C ATOM 0 HA PRO A 47 13.476 -3.995 4.373 1.00 35.43 H new ATOM 0 HB2 PRO A 47 15.413 -4.531 6.710 1.00 14.43 H new ATOM 0 HB3 PRO A 47 13.816 -3.815 6.798 1.00 14.43 H new ATOM 0 HG2 PRO A 47 14.128 -6.344 7.542 1.00 32.31 H new ATOM 0 HG3 PRO A 47 12.717 -5.906 6.599 1.00 32.31 H new ATOM 0 HD2 PRO A 47 15.209 -7.355 5.711 1.00 12.55 H new ATOM 0 HD3 PRO A 47 13.553 -7.596 5.192 1.00 12.55 H new ATOM 713 N GLY A 48 15.245 -2.764 3.196 1.00 15.50 N ATOM 714 CA GLY A 48 16.226 -1.824 2.628 1.00 50.54 C ATOM 715 C GLY A 48 15.945 -1.437 1.172 1.00 33.41 C ATOM 716 O GLY A 48 16.109 -0.278 0.802 1.00 0.31 O ATOM 0 H GLY A 48 14.354 -2.787 2.699 1.00 15.50 H new ATOM 0 HA2 GLY A 48 16.243 -0.920 3.237 1.00 50.54 H new ATOM 0 HA3 GLY A 48 17.219 -2.269 2.690 1.00 50.54 H new ATOM 720 N ALA A 49 15.502 -2.420 0.364 1.00 11.15 N ATOM 721 CA ALA A 49 15.347 -2.288 -1.118 1.00 43.24 C ATOM 722 C ALA A 49 14.446 -1.107 -1.571 1.00 41.01 C ATOM 723 O ALA A 49 13.388 -0.878 -1.000 1.00 14.11 O ATOM 724 CB ALA A 49 14.789 -3.603 -1.670 1.00 25.02 C ATOM 0 H ALA A 49 15.236 -3.340 0.714 1.00 11.15 H new ATOM 0 HA ALA A 49 16.337 -2.068 -1.517 1.00 43.24 H new ATOM 0 HB1 ALA A 49 14.670 -3.523 -2.751 1.00 25.02 H new ATOM 0 HB2 ALA A 49 15.478 -4.416 -1.440 1.00 25.02 H new ATOM 0 HB3 ALA A 49 13.821 -3.808 -1.213 1.00 25.02 H new ATOM 730 N GLU A 50 14.859 -0.395 -2.645 1.00 40.11 N ATOM 731 CA GLU A 50 14.098 0.766 -3.195 1.00 72.33 C ATOM 732 C GLU A 50 13.343 0.369 -4.476 1.00 64.02 C ATOM 733 O GLU A 50 13.815 -0.475 -5.213 1.00 24.50 O ATOM 734 CB GLU A 50 15.024 1.975 -3.523 1.00 4.43 C ATOM 735 CG GLU A 50 15.881 2.507 -2.350 1.00 43.14 C ATOM 736 CD GLU A 50 17.253 1.829 -2.229 1.00 71.23 C ATOM 737 OE1 GLU A 50 18.054 1.942 -3.185 1.00 11.13 O ATOM 738 OE2 GLU A 50 17.554 1.218 -1.189 1.00 23.52 O ATOM 0 H GLU A 50 15.718 -0.601 -3.154 1.00 40.11 H new ATOM 0 HA GLU A 50 13.393 1.064 -2.419 1.00 72.33 H new ATOM 0 HB2 GLU A 50 15.692 1.686 -4.334 1.00 4.43 H new ATOM 0 HB3 GLU A 50 14.405 2.792 -3.895 1.00 4.43 H new ATOM 0 HG2 GLU A 50 16.026 3.580 -2.475 1.00 43.14 H new ATOM 0 HG3 GLU A 50 15.333 2.366 -1.418 1.00 43.14 H new ATOM 745 N ARG A 51 12.180 0.993 -4.757 1.00 10.04 N ATOM 746 CA ARG A 51 11.454 0.781 -6.041 1.00 44.01 C ATOM 747 C ARG A 51 11.151 2.146 -6.731 1.00 62.01 C ATOM 748 O ARG A 51 10.495 3.020 -6.158 1.00 60.43 O ATOM 749 CB ARG A 51 10.169 -0.090 -5.830 1.00 72.22 C ATOM 750 CG ARG A 51 9.025 0.556 -5.012 1.00 61.02 C ATOM 751 CD ARG A 51 7.772 -0.343 -4.897 1.00 65.43 C ATOM 752 NE ARG A 51 6.633 0.372 -4.286 1.00 15.25 N ATOM 753 CZ ARG A 51 5.535 -0.173 -3.801 1.00 13.53 C ATOM 754 NH1 ARG A 51 5.410 -1.454 -3.669 1.00 43.11 N ATOM 755 NH2 ARG A 51 4.575 0.598 -3.403 1.00 45.34 N ATOM 0 H ARG A 51 11.721 1.645 -4.121 1.00 10.04 H new ATOM 0 HA ARG A 51 12.097 0.218 -6.717 1.00 44.01 H new ATOM 0 HB2 ARG A 51 9.777 -0.362 -6.810 1.00 72.22 H new ATOM 0 HB3 ARG A 51 10.462 -1.016 -5.335 1.00 72.22 H new ATOM 0 HG2 ARG A 51 9.390 0.789 -4.012 1.00 61.02 H new ATOM 0 HG3 ARG A 51 8.744 1.501 -5.477 1.00 61.02 H new ATOM 0 HD2 ARG A 51 7.488 -0.698 -5.888 1.00 65.43 H new ATOM 0 HD3 ARG A 51 8.011 -1.223 -4.300 1.00 65.43 H new ATOM 0 HE ARG A 51 6.703 1.388 -4.234 1.00 15.25 H new ATOM 0 HH11 ARG A 51 6.174 -2.072 -3.944 1.00 43.11 H new ATOM 0 HH12 ARG A 51 4.548 -1.846 -3.290 1.00 43.11 H new ATOM 0 HH21 ARG A 51 4.675 1.611 -3.467 1.00 45.34 H new ATOM 0 HH22 ARG A 51 3.719 0.193 -3.025 1.00 45.34 H new ATOM 769 N VAL A 52 11.682 2.334 -7.964 1.00 14.42 N ATOM 770 CA VAL A 52 11.572 3.610 -8.724 1.00 44.54 C ATOM 771 C VAL A 52 10.576 3.464 -9.904 1.00 64.14 C ATOM 772 O VAL A 52 10.903 2.878 -10.945 1.00 4.22 O ATOM 773 CB VAL A 52 12.974 4.093 -9.262 1.00 33.14 C ATOM 774 CG1 VAL A 52 12.872 5.480 -9.955 1.00 23.22 C ATOM 775 CG2 VAL A 52 14.030 4.117 -8.129 1.00 14.40 C ATOM 0 H VAL A 52 12.198 1.609 -8.461 1.00 14.42 H new ATOM 0 HA VAL A 52 11.197 4.364 -8.032 1.00 44.54 H new ATOM 0 HB VAL A 52 13.300 3.372 -10.012 1.00 33.14 H new ATOM 0 HG11 VAL A 52 13.856 5.781 -10.313 1.00 23.22 H new ATOM 0 HG12 VAL A 52 12.183 5.416 -10.797 1.00 23.22 H new ATOM 0 HG13 VAL A 52 12.505 6.217 -9.241 1.00 23.22 H new ATOM 0 HG21 VAL A 52 14.986 4.454 -8.530 1.00 14.40 H new ATOM 0 HG22 VAL A 52 13.705 4.799 -7.343 1.00 14.40 H new ATOM 0 HG23 VAL A 52 14.143 3.115 -7.715 1.00 14.40 H new ATOM 785 N PHE A 53 9.362 3.995 -9.714 1.00 72.20 N ATOM 786 CA PHE A 53 8.257 3.937 -10.702 1.00 73.24 C ATOM 787 C PHE A 53 8.616 4.710 -11.996 1.00 43.01 C ATOM 788 O PHE A 53 8.933 5.900 -11.939 1.00 2.01 O ATOM 789 CB PHE A 53 6.964 4.515 -10.067 1.00 61.02 C ATOM 790 CG PHE A 53 6.397 3.695 -8.901 1.00 11.21 C ATOM 791 CD1 PHE A 53 7.120 3.514 -7.722 1.00 64.13 C ATOM 792 CD2 PHE A 53 5.138 3.112 -8.983 1.00 61.13 C ATOM 793 CE1 PHE A 53 6.602 2.788 -6.676 1.00 54.21 C ATOM 794 CE2 PHE A 53 4.624 2.385 -7.929 1.00 34.33 C ATOM 795 CZ PHE A 53 5.354 2.219 -6.781 1.00 30.02 C ATOM 0 H PHE A 53 9.107 4.487 -8.858 1.00 72.20 H new ATOM 0 HA PHE A 53 8.093 2.895 -10.977 1.00 73.24 H new ATOM 0 HB2 PHE A 53 7.169 5.526 -9.715 1.00 61.02 H new ATOM 0 HB3 PHE A 53 6.201 4.596 -10.841 1.00 61.02 H new ATOM 0 HD1 PHE A 53 8.103 3.952 -7.629 1.00 64.13 H new ATOM 0 HD2 PHE A 53 4.554 3.230 -9.884 1.00 61.13 H new ATOM 0 HE1 PHE A 53 7.176 2.664 -5.770 1.00 54.21 H new ATOM 0 HE2 PHE A 53 3.641 1.944 -8.009 1.00 34.33 H new ATOM 0 HZ PHE A 53 4.951 1.643 -5.961 1.00 30.02 H new ATOM 805 N GLY A 54 8.569 4.019 -13.154 1.00 43.30 N ATOM 806 CA GLY A 54 8.953 4.613 -14.447 1.00 4.54 C ATOM 807 C GLY A 54 10.463 4.533 -14.713 1.00 73.40 C ATOM 808 O GLY A 54 10.894 3.840 -15.642 1.00 3.34 O ATOM 0 H GLY A 54 8.268 3.047 -13.217 1.00 43.30 H new ATOM 0 HA2 GLY A 54 8.420 4.102 -15.249 1.00 4.54 H new ATOM 0 HA3 GLY A 54 8.639 5.657 -14.470 1.00 4.54 H new ATOM 812 N ALA A 55 11.256 5.266 -13.890 1.00 74.51 N ATOM 813 CA ALA A 55 12.749 5.272 -13.941 1.00 53.44 C ATOM 814 C ALA A 55 13.321 5.762 -15.305 1.00 32.31 C ATOM 815 O ALA A 55 14.389 5.322 -15.748 1.00 13.42 O ATOM 816 CB ALA A 55 13.308 3.888 -13.548 1.00 12.41 C ATOM 0 H ALA A 55 10.878 5.876 -13.165 1.00 74.51 H new ATOM 0 HA ALA A 55 13.087 6.005 -13.208 1.00 53.44 H new ATOM 0 HB1 ALA A 55 14.397 3.910 -13.590 1.00 12.41 H new ATOM 0 HB2 ALA A 55 12.989 3.641 -12.535 1.00 12.41 H new ATOM 0 HB3 ALA A 55 12.933 3.134 -14.240 1.00 12.41 H new ATOM 822 N GLY A 56 12.622 6.727 -15.917 1.00 40.31 N ATOM 823 CA GLY A 56 13.037 7.313 -17.206 1.00 45.43 C ATOM 824 C GLY A 56 12.015 8.321 -17.739 1.00 23.34 C ATOM 825 O GLY A 56 11.788 8.420 -18.949 1.00 14.21 O ATOM 0 H GLY A 56 11.761 7.123 -15.540 1.00 40.31 H new ATOM 0 HA2 GLY A 56 14.002 7.806 -17.085 1.00 45.43 H new ATOM 0 HA3 GLY A 56 13.175 6.517 -17.937 1.00 45.43 H new ATOM 829 N THR A 57 11.428 9.094 -16.810 1.00 41.24 N ATOM 830 CA THR A 57 10.321 10.035 -17.086 1.00 44.33 C ATOM 831 C THR A 57 10.406 11.275 -16.161 1.00 14.54 C ATOM 832 O THR A 57 11.102 11.254 -15.139 1.00 32.53 O ATOM 833 CB THR A 57 8.929 9.324 -16.909 1.00 63.14 C ATOM 834 OG1 THR A 57 7.852 10.267 -17.074 1.00 33.11 O ATOM 835 CG2 THR A 57 8.805 8.616 -15.543 1.00 74.24 C ATOM 0 H THR A 57 11.711 9.085 -15.830 1.00 41.24 H new ATOM 0 HA THR A 57 10.415 10.367 -18.120 1.00 44.33 H new ATOM 0 HB THR A 57 8.862 8.561 -17.684 1.00 63.14 H new ATOM 0 HG1 THR A 57 6.994 9.807 -16.962 1.00 33.11 H new ATOM 0 HG21 THR A 57 7.827 8.140 -15.467 1.00 74.24 H new ATOM 0 HG22 THR A 57 9.585 7.860 -15.453 1.00 74.24 H new ATOM 0 HG23 THR A 57 8.915 9.348 -14.743 1.00 74.24 H new ATOM 843 N GLU A 58 9.701 12.362 -16.537 1.00 21.42 N ATOM 844 CA GLU A 58 9.658 13.620 -15.750 1.00 11.32 C ATOM 845 C GLU A 58 8.919 13.448 -14.394 1.00 64.43 C ATOM 846 O GLU A 58 9.139 14.227 -13.461 1.00 4.23 O ATOM 847 CB GLU A 58 8.996 14.748 -16.588 1.00 33.21 C ATOM 848 CG GLU A 58 9.784 15.145 -17.856 1.00 64.41 C ATOM 849 CD GLU A 58 9.112 16.271 -18.667 1.00 41.34 C ATOM 850 OE1 GLU A 58 8.291 15.971 -19.564 1.00 3.31 O ATOM 851 OE2 GLU A 58 9.400 17.463 -18.411 1.00 64.52 O ATOM 0 H GLU A 58 9.146 12.396 -17.392 1.00 21.42 H new ATOM 0 HA GLU A 58 10.687 13.894 -15.518 1.00 11.32 H new ATOM 0 HB2 GLU A 58 7.996 14.427 -16.881 1.00 33.21 H new ATOM 0 HB3 GLU A 58 8.876 15.630 -15.958 1.00 33.21 H new ATOM 0 HG2 GLU A 58 10.786 15.463 -17.567 1.00 64.41 H new ATOM 0 HG3 GLU A 58 9.899 14.268 -18.493 1.00 64.41 H new ATOM 858 N GLU A 59 8.033 12.438 -14.298 1.00 54.11 N ATOM 859 CA GLU A 59 7.303 12.118 -13.044 1.00 72.21 C ATOM 860 C GLU A 59 7.570 10.660 -12.592 1.00 43.13 C ATOM 861 O GLU A 59 6.865 9.727 -13.004 1.00 30.12 O ATOM 862 CB GLU A 59 5.773 12.361 -13.217 1.00 21.12 C ATOM 863 CG GLU A 59 5.367 13.824 -13.507 1.00 31.30 C ATOM 864 CD GLU A 59 3.846 14.043 -13.428 1.00 14.41 C ATOM 865 OE1 GLU A 59 3.321 14.233 -12.305 1.00 45.14 O ATOM 866 OE2 GLU A 59 3.163 14.005 -14.475 1.00 64.33 O ATOM 0 H GLU A 59 7.801 11.822 -15.077 1.00 54.11 H new ATOM 0 HA GLU A 59 7.676 12.785 -12.267 1.00 72.21 H new ATOM 0 HB2 GLU A 59 5.411 11.732 -14.031 1.00 21.12 H new ATOM 0 HB3 GLU A 59 5.265 12.033 -12.310 1.00 21.12 H new ATOM 0 HG2 GLU A 59 5.863 14.483 -12.794 1.00 31.30 H new ATOM 0 HG3 GLU A 59 5.720 14.105 -14.499 1.00 31.30 H new ATOM 873 N GLU A 60 8.616 10.465 -11.767 1.00 35.13 N ATOM 874 CA GLU A 60 8.894 9.163 -11.107 1.00 35.00 C ATOM 875 C GLU A 60 8.500 9.195 -9.612 1.00 33.44 C ATOM 876 O GLU A 60 8.161 10.247 -9.056 1.00 63.05 O ATOM 877 CB GLU A 60 10.391 8.743 -11.256 1.00 31.12 C ATOM 878 CG GLU A 60 11.443 9.592 -10.493 1.00 11.15 C ATOM 879 CD GLU A 60 11.680 10.998 -11.082 1.00 62.42 C ATOM 880 OE1 GLU A 60 12.484 11.122 -12.035 1.00 30.33 O ATOM 881 OE2 GLU A 60 11.060 11.982 -10.610 1.00 42.10 O ATOM 0 H GLU A 60 9.290 11.195 -11.537 1.00 35.13 H new ATOM 0 HA GLU A 60 8.281 8.418 -11.614 1.00 35.00 H new ATOM 0 HB2 GLU A 60 10.487 7.709 -10.925 1.00 31.12 H new ATOM 0 HB3 GLU A 60 10.644 8.763 -12.316 1.00 31.12 H new ATOM 0 HG2 GLU A 60 11.125 9.695 -9.456 1.00 11.15 H new ATOM 0 HG3 GLU A 60 12.390 9.052 -10.483 1.00 11.15 H new ATOM 888 N LEU A 61 8.540 8.018 -8.978 1.00 21.33 N ATOM 889 CA LEU A 61 8.308 7.861 -7.528 1.00 61.30 C ATOM 890 C LEU A 61 9.351 6.888 -6.952 1.00 41.31 C ATOM 891 O LEU A 61 9.371 5.712 -7.310 1.00 14.43 O ATOM 892 CB LEU A 61 6.859 7.353 -7.259 1.00 64.33 C ATOM 893 CG LEU A 61 6.503 6.997 -5.773 1.00 33.41 C ATOM 894 CD1 LEU A 61 6.735 8.194 -4.825 1.00 23.40 C ATOM 895 CD2 LEU A 61 5.055 6.460 -5.662 1.00 74.12 C ATOM 0 H LEU A 61 8.735 7.138 -9.455 1.00 21.33 H new ATOM 0 HA LEU A 61 8.415 8.827 -7.035 1.00 61.30 H new ATOM 0 HB2 LEU A 61 6.161 8.117 -7.603 1.00 64.33 H new ATOM 0 HB3 LEU A 61 6.689 6.467 -7.871 1.00 64.33 H new ATOM 0 HG LEU A 61 7.179 6.203 -5.456 1.00 33.41 H new ATOM 0 HD11 LEU A 61 6.477 7.906 -3.806 1.00 23.40 H new ATOM 0 HD12 LEU A 61 7.783 8.491 -4.864 1.00 23.40 H new ATOM 0 HD13 LEU A 61 6.109 9.031 -5.135 1.00 23.40 H new ATOM 0 HD21 LEU A 61 4.834 6.221 -4.622 1.00 74.12 H new ATOM 0 HD22 LEU A 61 4.357 7.219 -6.016 1.00 74.12 H new ATOM 0 HD23 LEU A 61 4.953 5.561 -6.270 1.00 74.12 H new ATOM 907 N VAL A 62 10.244 7.384 -6.079 1.00 63.13 N ATOM 908 CA VAL A 62 11.245 6.531 -5.405 1.00 31.13 C ATOM 909 C VAL A 62 10.755 6.187 -3.980 1.00 21.53 C ATOM 910 O VAL A 62 10.616 7.069 -3.124 1.00 55.12 O ATOM 911 CB VAL A 62 12.660 7.220 -5.339 1.00 23.45 C ATOM 912 CG1 VAL A 62 13.731 6.279 -4.718 1.00 73.22 C ATOM 913 CG2 VAL A 62 13.098 7.728 -6.739 1.00 1.33 C ATOM 0 H VAL A 62 10.295 8.370 -5.822 1.00 63.13 H new ATOM 0 HA VAL A 62 11.356 5.618 -5.990 1.00 31.13 H new ATOM 0 HB VAL A 62 12.572 8.085 -4.681 1.00 23.45 H new ATOM 0 HG11 VAL A 62 14.693 6.791 -4.690 1.00 73.22 H new ATOM 0 HG12 VAL A 62 13.434 6.009 -3.705 1.00 73.22 H new ATOM 0 HG13 VAL A 62 13.818 5.377 -5.323 1.00 73.22 H new ATOM 0 HG21 VAL A 62 14.078 8.199 -6.665 1.00 1.33 H new ATOM 0 HG22 VAL A 62 13.151 6.887 -7.431 1.00 1.33 H new ATOM 0 HG23 VAL A 62 12.373 8.455 -7.106 1.00 1.33 H new ATOM 923 N GLU A 63 10.471 4.896 -3.760 1.00 41.15 N ATOM 924 CA GLU A 63 10.120 4.331 -2.441 1.00 12.04 C ATOM 925 C GLU A 63 11.284 3.485 -1.885 1.00 22.44 C ATOM 926 O GLU A 63 12.214 3.169 -2.612 1.00 21.02 O ATOM 927 CB GLU A 63 8.845 3.471 -2.543 1.00 13.51 C ATOM 928 CG GLU A 63 7.560 4.256 -2.896 1.00 5.34 C ATOM 929 CD GLU A 63 6.296 3.380 -2.891 1.00 60.41 C ATOM 930 OE1 GLU A 63 6.225 2.448 -2.070 1.00 22.44 O ATOM 931 OE2 GLU A 63 5.382 3.592 -3.713 1.00 41.23 O ATOM 0 H GLU A 63 10.478 4.199 -4.505 1.00 41.15 H new ATOM 0 HA GLU A 63 9.931 5.158 -1.757 1.00 12.04 H new ATOM 0 HB2 GLU A 63 9.003 2.701 -3.298 1.00 13.51 H new ATOM 0 HB3 GLU A 63 8.692 2.959 -1.593 1.00 13.51 H new ATOM 0 HG2 GLU A 63 7.432 5.071 -2.184 1.00 5.34 H new ATOM 0 HG3 GLU A 63 7.677 4.709 -3.881 1.00 5.34 H new ATOM 938 N ARG A 64 11.212 3.131 -0.590 1.00 41.40 N ATOM 939 CA ARG A 64 12.256 2.345 0.109 1.00 43.12 C ATOM 940 C ARG A 64 11.633 1.512 1.254 1.00 12.44 C ATOM 941 O ARG A 64 10.983 2.057 2.142 1.00 51.34 O ATOM 942 CB ARG A 64 13.381 3.300 0.637 1.00 44.53 C ATOM 943 CG ARG A 64 14.580 2.621 1.373 1.00 52.22 C ATOM 944 CD ARG A 64 14.397 2.519 2.904 1.00 20.42 C ATOM 945 NE ARG A 64 15.475 1.741 3.541 1.00 32.25 N ATOM 946 CZ ARG A 64 15.592 1.519 4.835 1.00 2.52 C ATOM 947 NH1 ARG A 64 14.747 2.020 5.683 1.00 33.34 N ATOM 948 NH2 ARG A 64 16.564 0.793 5.276 1.00 42.10 N ATOM 0 H ARG A 64 10.425 3.381 0.009 1.00 41.40 H new ATOM 0 HA ARG A 64 12.709 1.646 -0.595 1.00 43.12 H new ATOM 0 HB2 ARG A 64 13.775 3.864 -0.208 1.00 44.53 H new ATOM 0 HB3 ARG A 64 12.926 4.020 1.317 1.00 44.53 H new ATOM 0 HG2 ARG A 64 14.724 1.620 0.966 1.00 52.22 H new ATOM 0 HG3 ARG A 64 15.489 3.184 1.162 1.00 52.22 H new ATOM 0 HD2 ARG A 64 14.371 3.521 3.333 1.00 20.42 H new ATOM 0 HD3 ARG A 64 13.436 2.053 3.124 1.00 20.42 H new ATOM 0 HE ARG A 64 16.188 1.342 2.931 1.00 32.25 H new ATOM 0 HH11 ARG A 64 13.974 2.598 5.352 1.00 33.34 H new ATOM 0 HH12 ARG A 64 14.856 1.836 6.680 1.00 33.34 H new ATOM 0 HH21 ARG A 64 17.239 0.393 4.624 1.00 42.10 H new ATOM 0 HH22 ARG A 64 16.657 0.619 6.277 1.00 42.10 H new ATOM 962 N LEU A 65 11.876 0.197 1.226 1.00 53.10 N ATOM 963 CA LEU A 65 11.414 -0.768 2.242 1.00 51.24 C ATOM 964 C LEU A 65 12.149 -0.557 3.594 1.00 52.42 C ATOM 965 O LEU A 65 13.367 -0.706 3.671 1.00 21.04 O ATOM 966 CB LEU A 65 11.649 -2.207 1.685 1.00 11.42 C ATOM 967 CG LEU A 65 11.288 -3.410 2.616 1.00 11.14 C ATOM 968 CD1 LEU A 65 9.841 -3.317 3.110 1.00 12.40 C ATOM 969 CD2 LEU A 65 11.538 -4.760 1.899 1.00 64.33 C ATOM 0 H LEU A 65 12.413 -0.242 0.478 1.00 53.10 H new ATOM 0 HA LEU A 65 10.353 -0.618 2.440 1.00 51.24 H new ATOM 0 HB2 LEU A 65 11.074 -2.309 0.765 1.00 11.42 H new ATOM 0 HB3 LEU A 65 12.701 -2.295 1.414 1.00 11.42 H new ATOM 0 HG LEU A 65 11.942 -3.361 3.487 1.00 11.14 H new ATOM 0 HD11 LEU A 65 9.621 -4.168 3.755 1.00 12.40 H new ATOM 0 HD12 LEU A 65 9.707 -2.392 3.671 1.00 12.40 H new ATOM 0 HD13 LEU A 65 9.164 -3.325 2.256 1.00 12.40 H new ATOM 0 HD21 LEU A 65 11.279 -5.581 2.568 1.00 64.33 H new ATOM 0 HD22 LEU A 65 10.922 -4.815 1.002 1.00 64.33 H new ATOM 0 HD23 LEU A 65 12.589 -4.836 1.622 1.00 64.33 H new ATOM 981 N VAL A 66 11.397 -0.185 4.650 1.00 64.34 N ATOM 982 CA VAL A 66 11.963 0.033 6.010 1.00 35.55 C ATOM 983 C VAL A 66 12.118 -1.306 6.766 1.00 23.01 C ATOM 984 O VAL A 66 13.196 -1.623 7.284 1.00 42.10 O ATOM 985 CB VAL A 66 11.074 1.020 6.862 1.00 0.32 C ATOM 986 CG1 VAL A 66 11.647 1.227 8.293 1.00 51.34 C ATOM 987 CG2 VAL A 66 10.899 2.376 6.137 1.00 3.24 C ATOM 0 H VAL A 66 10.391 -0.027 4.593 1.00 64.34 H new ATOM 0 HA VAL A 66 12.946 0.485 5.875 1.00 35.55 H new ATOM 0 HB VAL A 66 10.092 0.559 6.968 1.00 0.32 H new ATOM 0 HG11 VAL A 66 11.005 1.913 8.846 1.00 51.34 H new ATOM 0 HG12 VAL A 66 11.686 0.269 8.811 1.00 51.34 H new ATOM 0 HG13 VAL A 66 12.652 1.644 8.226 1.00 51.34 H new ATOM 0 HG21 VAL A 66 10.282 3.037 6.746 1.00 3.24 H new ATOM 0 HG22 VAL A 66 11.876 2.833 5.980 1.00 3.24 H new ATOM 0 HG23 VAL A 66 10.415 2.214 5.174 1.00 3.24 H new ATOM 997 N GLU A 67 11.019 -2.083 6.814 1.00 31.42 N ATOM 998 CA GLU A 67 10.973 -3.391 7.506 1.00 34.45 C ATOM 999 C GLU A 67 9.850 -4.265 6.910 1.00 11.02 C ATOM 1000 O GLU A 67 8.859 -3.745 6.384 1.00 73.13 O ATOM 1001 CB GLU A 67 10.788 -3.197 9.044 1.00 14.20 C ATOM 1002 CG GLU A 67 9.401 -2.698 9.479 1.00 1.41 C ATOM 1003 CD GLU A 67 9.336 -2.263 10.951 1.00 22.11 C ATOM 1004 OE1 GLU A 67 9.261 -3.140 11.840 1.00 23.50 O ATOM 1005 OE2 GLU A 67 9.379 -1.044 11.233 1.00 73.21 O ATOM 0 H GLU A 67 10.136 -1.824 6.374 1.00 31.42 H new ATOM 0 HA GLU A 67 11.922 -3.905 7.353 1.00 34.45 H new ATOM 0 HB2 GLU A 67 10.987 -4.147 9.540 1.00 14.20 H new ATOM 0 HB3 GLU A 67 11.538 -2.490 9.398 1.00 14.20 H new ATOM 0 HG2 GLU A 67 9.112 -1.858 8.848 1.00 1.41 H new ATOM 0 HG3 GLU A 67 8.670 -3.489 9.310 1.00 1.41 H new ATOM 1012 N ARG A 68 10.007 -5.594 6.987 1.00 33.43 N ATOM 1013 CA ARG A 68 9.058 -6.545 6.365 1.00 72.23 C ATOM 1014 C ARG A 68 8.845 -7.797 7.244 1.00 10.33 C ATOM 1015 O ARG A 68 9.801 -8.421 7.712 1.00 55.13 O ATOM 1016 CB ARG A 68 9.564 -6.943 4.954 1.00 23.24 C ATOM 1017 CG ARG A 68 8.641 -7.923 4.195 1.00 43.31 C ATOM 1018 CD ARG A 68 9.122 -8.205 2.771 1.00 74.30 C ATOM 1019 NE ARG A 68 8.281 -9.215 2.121 1.00 24.20 N ATOM 1020 CZ ARG A 68 8.146 -9.387 0.836 1.00 0.43 C ATOM 1021 NH1 ARG A 68 8.773 -8.643 -0.026 1.00 5.12 N ATOM 1022 NH2 ARG A 68 7.355 -10.310 0.413 1.00 52.43 N ATOM 0 H ARG A 68 10.783 -6.042 7.474 1.00 33.43 H new ATOM 0 HA ARG A 68 8.091 -6.050 6.272 1.00 72.23 H new ATOM 0 HB2 ARG A 68 9.683 -6.039 4.356 1.00 23.24 H new ATOM 0 HB3 ARG A 68 10.552 -7.394 5.050 1.00 23.24 H new ATOM 0 HG2 ARG A 68 8.582 -8.861 4.747 1.00 43.31 H new ATOM 0 HG3 ARG A 68 7.632 -7.511 4.158 1.00 43.31 H new ATOM 0 HD2 ARG A 68 9.105 -7.284 2.189 1.00 74.30 H new ATOM 0 HD3 ARG A 68 10.156 -8.548 2.794 1.00 74.30 H new ATOM 0 HE ARG A 68 7.753 -9.840 2.730 1.00 24.20 H new ATOM 0 HH11 ARG A 68 9.392 -7.899 0.297 1.00 5.12 H new ATOM 0 HH12 ARG A 68 8.646 -8.803 -1.025 1.00 5.12 H new ATOM 0 HH21 ARG A 68 6.847 -10.891 1.080 1.00 52.43 H new ATOM 0 HH22 ARG A 68 7.236 -10.460 -0.589 1.00 52.43 H new ATOM 1036 N ASP A 69 7.566 -8.144 7.440 1.00 13.14 N ATOM 1037 CA ASP A 69 7.119 -9.323 8.205 1.00 71.03 C ATOM 1038 C ASP A 69 6.309 -10.278 7.287 1.00 10.32 C ATOM 1039 O ASP A 69 5.138 -10.011 6.981 1.00 15.41 O ATOM 1040 CB ASP A 69 6.249 -8.874 9.405 1.00 25.13 C ATOM 1041 CG ASP A 69 7.008 -8.059 10.459 1.00 10.14 C ATOM 1042 OD1 ASP A 69 7.474 -6.946 10.143 1.00 65.23 O ATOM 1043 OD2 ASP A 69 7.129 -8.509 11.622 1.00 62.15 O ATOM 0 H ASP A 69 6.790 -7.600 7.062 1.00 13.14 H new ATOM 0 HA ASP A 69 7.993 -9.854 8.581 1.00 71.03 H new ATOM 0 HB2 ASP A 69 5.415 -8.279 9.033 1.00 25.13 H new ATOM 0 HB3 ASP A 69 5.823 -9.757 9.882 1.00 25.13 H new ATOM 1048 N GLU A 70 6.959 -11.371 6.850 1.00 2.03 N ATOM 1049 CA GLU A 70 6.349 -12.400 5.971 1.00 52.10 C ATOM 1050 C GLU A 70 5.180 -13.147 6.669 1.00 72.13 C ATOM 1051 O GLU A 70 4.068 -13.217 6.138 1.00 15.22 O ATOM 1052 CB GLU A 70 7.446 -13.402 5.507 1.00 34.25 C ATOM 1053 CG GLU A 70 8.507 -12.822 4.536 1.00 44.21 C ATOM 1054 CD GLU A 70 8.009 -12.679 3.084 1.00 14.24 C ATOM 1055 OE1 GLU A 70 7.140 -11.833 2.821 1.00 33.32 O ATOM 1056 OE2 GLU A 70 8.477 -13.432 2.197 1.00 72.35 O ATOM 0 H GLU A 70 7.929 -11.572 7.095 1.00 2.03 H new ATOM 0 HA GLU A 70 5.925 -11.896 5.103 1.00 52.10 H new ATOM 0 HB2 GLU A 70 7.957 -13.789 6.388 1.00 34.25 H new ATOM 0 HB3 GLU A 70 6.960 -14.249 5.023 1.00 34.25 H new ATOM 0 HG2 GLU A 70 8.823 -11.844 4.900 1.00 44.21 H new ATOM 0 HG3 GLU A 70 9.387 -13.466 4.547 1.00 44.21 H new ATOM 1063 N SER A 71 5.452 -13.683 7.874 1.00 33.12 N ATOM 1064 CA SER A 71 4.465 -14.479 8.650 1.00 5.11 C ATOM 1065 C SER A 71 3.328 -13.598 9.229 1.00 70.25 C ATOM 1066 O SER A 71 2.183 -14.047 9.336 1.00 51.34 O ATOM 1067 CB SER A 71 5.173 -15.247 9.791 1.00 75.15 C ATOM 1068 OG SER A 71 6.186 -16.111 9.295 1.00 54.53 O ATOM 0 H SER A 71 6.354 -13.581 8.340 1.00 33.12 H new ATOM 0 HA SER A 71 4.010 -15.190 7.960 1.00 5.11 H new ATOM 0 HB2 SER A 71 5.612 -14.536 10.490 1.00 75.15 H new ATOM 0 HB3 SER A 71 4.439 -15.829 10.348 1.00 75.15 H new ATOM 0 HG SER A 71 6.613 -16.578 10.043 1.00 54.53 H new ATOM 1074 N ALA A 72 3.650 -12.344 9.595 1.00 10.14 N ATOM 1075 CA ALA A 72 2.663 -11.397 10.177 1.00 61.13 C ATOM 1076 C ALA A 72 1.823 -10.669 9.098 1.00 14.22 C ATOM 1077 O ALA A 72 0.845 -9.997 9.441 1.00 62.52 O ATOM 1078 CB ALA A 72 3.375 -10.375 11.074 1.00 64.12 C ATOM 0 H ALA A 72 4.588 -11.955 9.500 1.00 10.14 H new ATOM 0 HA ALA A 72 1.969 -11.988 10.774 1.00 61.13 H new ATOM 0 HB1 ALA A 72 2.642 -9.687 11.495 1.00 64.12 H new ATOM 0 HB2 ALA A 72 3.889 -10.896 11.882 1.00 64.12 H new ATOM 0 HB3 ALA A 72 4.101 -9.816 10.483 1.00 64.12 H new ATOM 1084 N ARG A 73 2.221 -10.806 7.806 1.00 54.35 N ATOM 1085 CA ARG A 73 1.559 -10.125 6.653 1.00 11.53 C ATOM 1086 C ARG A 73 1.631 -8.574 6.783 1.00 33.33 C ATOM 1087 O ARG A 73 0.735 -7.856 6.324 1.00 52.22 O ATOM 1088 CB ARG A 73 0.081 -10.608 6.485 1.00 25.32 C ATOM 1089 CG ARG A 73 -0.080 -12.128 6.247 1.00 21.52 C ATOM 1090 CD ARG A 73 -1.547 -12.589 6.370 1.00 74.43 C ATOM 1091 NE ARG A 73 -2.121 -12.242 7.691 1.00 61.23 N ATOM 1092 CZ ARG A 73 -2.117 -13.008 8.767 1.00 72.33 C ATOM 1093 NH1 ARG A 73 -1.632 -14.213 8.745 1.00 32.15 N ATOM 1094 NH2 ARG A 73 -2.614 -12.555 9.872 1.00 44.41 N ATOM 0 H ARG A 73 3.010 -11.391 7.531 1.00 54.35 H new ATOM 0 HA ARG A 73 2.107 -10.403 5.753 1.00 11.53 H new ATOM 0 HB2 ARG A 73 -0.480 -10.332 7.378 1.00 25.32 H new ATOM 0 HB3 ARG A 73 -0.369 -10.074 5.648 1.00 25.32 H new ATOM 0 HG2 ARG A 73 0.295 -12.380 5.255 1.00 21.52 H new ATOM 0 HG3 ARG A 73 0.531 -12.673 6.967 1.00 21.52 H new ATOM 0 HD2 ARG A 73 -2.141 -12.126 5.582 1.00 74.43 H new ATOM 0 HD3 ARG A 73 -1.604 -13.667 6.220 1.00 74.43 H new ATOM 0 HE ARG A 73 -2.560 -11.326 7.778 1.00 61.23 H new ATOM 0 HH11 ARG A 73 -1.241 -14.590 7.881 1.00 32.15 H new ATOM 0 HH12 ARG A 73 -1.642 -14.782 9.591 1.00 32.15 H new ATOM 0 HH21 ARG A 73 -3.005 -11.613 9.907 1.00 44.41 H new ATOM 0 HH22 ARG A 73 -2.615 -13.139 10.708 1.00 44.41 H new ATOM 1108 N ARG A 74 2.747 -8.078 7.356 1.00 41.13 N ATOM 1109 CA ARG A 74 2.932 -6.649 7.704 1.00 22.23 C ATOM 1110 C ARG A 74 4.143 -6.053 6.928 1.00 52.04 C ATOM 1111 O ARG A 74 5.286 -6.404 7.193 1.00 22.23 O ATOM 1112 CB ARG A 74 3.098 -6.548 9.256 1.00 55.33 C ATOM 1113 CG ARG A 74 2.943 -5.132 9.868 1.00 25.14 C ATOM 1114 CD ARG A 74 4.211 -4.267 9.806 1.00 24.44 C ATOM 1115 NE ARG A 74 5.349 -4.846 10.542 1.00 70.03 N ATOM 1116 CZ ARG A 74 5.879 -4.368 11.654 1.00 55.32 C ATOM 1117 NH1 ARG A 74 5.393 -3.322 12.249 1.00 70.14 N ATOM 1118 NH2 ARG A 74 6.905 -4.954 12.166 1.00 62.42 N ATOM 0 H ARG A 74 3.551 -8.659 7.593 1.00 41.13 H new ATOM 0 HA ARG A 74 2.065 -6.059 7.408 1.00 22.23 H new ATOM 0 HB2 ARG A 74 2.365 -7.206 9.723 1.00 55.33 H new ATOM 0 HB3 ARG A 74 4.084 -6.930 9.521 1.00 55.33 H new ATOM 0 HG2 ARG A 74 2.138 -4.612 9.348 1.00 25.14 H new ATOM 0 HG3 ARG A 74 2.638 -5.232 10.910 1.00 25.14 H new ATOM 0 HD2 ARG A 74 4.496 -4.126 8.763 1.00 24.44 H new ATOM 0 HD3 ARG A 74 3.989 -3.280 10.212 1.00 24.44 H new ATOM 0 HE ARG A 74 5.766 -5.694 10.158 1.00 70.03 H new ATOM 0 HH11 ARG A 74 4.580 -2.845 11.859 1.00 70.14 H new ATOM 0 HH12 ARG A 74 5.824 -2.977 13.106 1.00 70.14 H new ATOM 0 HH21 ARG A 74 7.300 -5.778 11.713 1.00 62.42 H new ATOM 0 HH22 ARG A 74 7.323 -4.594 13.024 1.00 62.42 H new ATOM 1132 N LEU A 75 3.870 -5.128 5.991 1.00 1.51 N ATOM 1133 CA LEU A 75 4.876 -4.558 5.049 1.00 44.11 C ATOM 1134 C LEU A 75 5.035 -3.026 5.240 1.00 64.14 C ATOM 1135 O LEU A 75 4.167 -2.258 4.853 1.00 50.31 O ATOM 1136 CB LEU A 75 4.407 -4.907 3.601 1.00 35.32 C ATOM 1137 CG LEU A 75 5.136 -4.221 2.398 1.00 11.42 C ATOM 1138 CD1 LEU A 75 6.647 -4.460 2.441 1.00 54.13 C ATOM 1139 CD2 LEU A 75 4.537 -4.677 1.046 1.00 74.44 C ATOM 0 H LEU A 75 2.935 -4.744 5.857 1.00 1.51 H new ATOM 0 HA LEU A 75 5.859 -4.988 5.243 1.00 44.11 H new ATOM 0 HB2 LEU A 75 4.498 -5.986 3.473 1.00 35.32 H new ATOM 0 HB3 LEU A 75 3.347 -4.666 3.528 1.00 35.32 H new ATOM 0 HG LEU A 75 4.974 -3.147 2.491 1.00 11.42 H new ATOM 0 HD11 LEU A 75 7.118 -3.968 1.590 1.00 54.13 H new ATOM 0 HD12 LEU A 75 7.054 -4.052 3.366 1.00 54.13 H new ATOM 0 HD13 LEU A 75 6.847 -5.531 2.398 1.00 54.13 H new ATOM 0 HD21 LEU A 75 5.064 -4.183 0.230 1.00 74.44 H new ATOM 0 HD22 LEU A 75 4.644 -5.757 0.946 1.00 74.44 H new ATOM 0 HD23 LEU A 75 3.480 -4.412 1.008 1.00 74.44 H new ATOM 1151 N VAL A 76 6.176 -2.580 5.801 1.00 12.32 N ATOM 1152 CA VAL A 76 6.429 -1.137 6.078 1.00 55.21 C ATOM 1153 C VAL A 76 7.485 -0.550 5.121 1.00 54.33 C ATOM 1154 O VAL A 76 8.601 -1.064 5.017 1.00 40.11 O ATOM 1155 CB VAL A 76 6.901 -0.887 7.553 1.00 4.15 C ATOM 1156 CG1 VAL A 76 7.069 0.621 7.853 1.00 4.32 C ATOM 1157 CG2 VAL A 76 5.949 -1.537 8.568 1.00 25.32 C ATOM 0 H VAL A 76 6.944 -3.193 6.075 1.00 12.32 H new ATOM 0 HA VAL A 76 5.473 -0.636 5.922 1.00 55.21 H new ATOM 0 HB VAL A 76 7.878 -1.359 7.656 1.00 4.15 H new ATOM 0 HG11 VAL A 76 7.397 0.753 8.884 1.00 4.32 H new ATOM 0 HG12 VAL A 76 7.813 1.045 7.179 1.00 4.32 H new ATOM 0 HG13 VAL A 76 6.116 1.129 7.708 1.00 4.32 H new ATOM 0 HG21 VAL A 76 6.307 -1.343 9.579 1.00 25.32 H new ATOM 0 HG22 VAL A 76 4.950 -1.117 8.450 1.00 25.32 H new ATOM 0 HG23 VAL A 76 5.913 -2.613 8.396 1.00 25.32 H new ATOM 1167 N TYR A 77 7.137 0.566 4.473 1.00 31.24 N ATOM 1168 CA TYR A 77 8.046 1.320 3.592 1.00 31.41 C ATOM 1169 C TYR A 77 7.942 2.845 3.852 1.00 3.12 C ATOM 1170 O TYR A 77 7.203 3.302 4.732 1.00 30.43 O ATOM 1171 CB TYR A 77 7.766 0.975 2.102 1.00 33.22 C ATOM 1172 CG TYR A 77 6.354 1.336 1.584 1.00 42.42 C ATOM 1173 CD1 TYR A 77 6.053 2.635 1.154 1.00 5.15 C ATOM 1174 CD2 TYR A 77 5.339 0.375 1.499 1.00 32.23 C ATOM 1175 CE1 TYR A 77 4.804 2.963 0.679 1.00 2.21 C ATOM 1176 CE2 TYR A 77 4.083 0.705 1.021 1.00 63.25 C ATOM 1177 CZ TYR A 77 3.827 1.998 0.605 1.00 24.11 C ATOM 1178 OH TYR A 77 2.586 2.335 0.119 1.00 10.14 O ATOM 0 H TYR A 77 6.207 0.979 4.544 1.00 31.24 H new ATOM 0 HA TYR A 77 9.070 1.024 3.820 1.00 31.41 H new ATOM 0 HB2 TYR A 77 8.502 1.490 1.484 1.00 33.22 H new ATOM 0 HB3 TYR A 77 7.923 -0.094 1.960 1.00 33.22 H new ATOM 0 HD1 TYR A 77 6.818 3.396 1.196 1.00 5.15 H new ATOM 0 HD2 TYR A 77 5.540 -0.639 1.811 1.00 32.23 H new ATOM 0 HE1 TYR A 77 4.592 3.974 0.365 1.00 2.21 H new ATOM 0 HE2 TYR A 77 3.307 -0.044 0.973 1.00 63.25 H new ATOM 0 HH TYR A 77 2.160 1.542 -0.268 1.00 10.14 H new ATOM 1188 N THR A 78 8.724 3.612 3.083 1.00 14.01 N ATOM 1189 CA THR A 78 8.712 5.093 3.084 1.00 65.12 C ATOM 1190 C THR A 78 9.002 5.620 1.663 1.00 1.20 C ATOM 1191 O THR A 78 9.442 4.864 0.804 1.00 73.12 O ATOM 1192 CB THR A 78 9.763 5.698 4.081 1.00 1.33 C ATOM 1193 OG1 THR A 78 9.666 7.135 4.084 1.00 61.41 O ATOM 1194 CG2 THR A 78 11.213 5.287 3.739 1.00 33.03 C ATOM 0 H THR A 78 9.399 3.220 2.427 1.00 14.01 H new ATOM 0 HA THR A 78 7.721 5.406 3.412 1.00 65.12 H new ATOM 0 HB THR A 78 9.530 5.298 5.068 1.00 1.33 H new ATOM 0 HG1 THR A 78 9.092 7.423 4.825 1.00 61.41 H new ATOM 0 HG21 THR A 78 11.897 5.733 4.460 1.00 33.03 H new ATOM 0 HG22 THR A 78 11.302 4.201 3.778 1.00 33.03 H new ATOM 0 HG23 THR A 78 11.463 5.636 2.737 1.00 33.03 H new ATOM 1202 N MET A 79 8.716 6.905 1.407 1.00 32.54 N ATOM 1203 CA MET A 79 9.139 7.593 0.167 1.00 30.31 C ATOM 1204 C MET A 79 10.355 8.526 0.462 1.00 52.04 C ATOM 1205 O MET A 79 10.164 9.642 0.958 1.00 22.45 O ATOM 1206 CB MET A 79 7.949 8.390 -0.440 1.00 33.45 C ATOM 1207 CG MET A 79 6.758 7.525 -0.891 1.00 73.31 C ATOM 1208 SD MET A 79 5.441 8.490 -1.678 1.00 15.23 S ATOM 1209 CE MET A 79 4.869 9.539 -0.344 1.00 24.42 C ATOM 0 H MET A 79 8.188 7.499 2.047 1.00 32.54 H new ATOM 0 HA MET A 79 9.452 6.850 -0.566 1.00 30.31 H new ATOM 0 HB2 MET A 79 7.598 9.111 0.299 1.00 33.45 H new ATOM 0 HB3 MET A 79 8.310 8.961 -1.295 1.00 33.45 H new ATOM 0 HG2 MET A 79 7.111 6.766 -1.589 1.00 73.31 H new ATOM 0 HG3 MET A 79 6.350 7.000 -0.028 1.00 73.31 H new ATOM 0 HE1 MET A 79 3.801 9.383 -0.190 1.00 24.42 H new ATOM 0 HE2 MET A 79 5.407 9.291 0.571 1.00 24.42 H new ATOM 0 HE3 MET A 79 5.050 10.583 -0.599 1.00 24.42 H new ATOM 1219 N PRO A 80 11.634 8.067 0.202 1.00 35.12 N ATOM 1220 CA PRO A 80 12.858 8.912 0.374 1.00 55.42 C ATOM 1221 C PRO A 80 12.979 10.029 -0.699 1.00 54.23 C ATOM 1222 O PRO A 80 13.802 10.941 -0.568 1.00 25.11 O ATOM 1223 CB PRO A 80 14.011 7.880 0.250 1.00 4.13 C ATOM 1224 CG PRO A 80 13.451 6.823 -0.646 1.00 53.45 C ATOM 1225 CD PRO A 80 11.998 6.695 -0.240 1.00 2.02 C ATOM 0 HA PRO A 80 12.855 9.456 1.318 1.00 55.42 H new ATOM 0 HB2 PRO A 80 14.907 8.331 -0.176 1.00 4.13 H new ATOM 0 HB3 PRO A 80 14.290 7.473 1.222 1.00 4.13 H new ATOM 0 HG2 PRO A 80 13.544 7.104 -1.695 1.00 53.45 H new ATOM 0 HG3 PRO A 80 13.980 5.878 -0.521 1.00 53.45 H new ATOM 0 HD2 PRO A 80 11.377 6.365 -1.073 1.00 2.02 H new ATOM 0 HD3 PRO A 80 11.869 5.968 0.562 1.00 2.02 H new ATOM 1233 N ASP A 81 12.170 9.927 -1.766 1.00 13.03 N ATOM 1234 CA ASP A 81 12.045 10.978 -2.794 1.00 3.13 C ATOM 1235 C ASP A 81 10.547 11.097 -3.221 1.00 40.35 C ATOM 1236 O ASP A 81 10.127 10.511 -4.230 1.00 71.53 O ATOM 1237 CB ASP A 81 12.991 10.660 -3.987 1.00 62.33 C ATOM 1238 CG ASP A 81 13.188 11.836 -4.957 1.00 55.11 C ATOM 1239 OD1 ASP A 81 14.083 12.676 -4.708 1.00 62.42 O ATOM 1240 OD2 ASP A 81 12.468 11.925 -5.974 1.00 71.02 O ATOM 0 H ASP A 81 11.582 9.112 -1.942 1.00 13.03 H new ATOM 0 HA ASP A 81 12.351 11.946 -2.398 1.00 3.13 H new ATOM 0 HB2 ASP A 81 13.963 10.357 -3.597 1.00 62.33 H new ATOM 0 HB3 ASP A 81 12.590 9.810 -4.539 1.00 62.33 H new ATOM 1245 N PRO A 82 9.699 11.800 -2.393 1.00 71.32 N ATOM 1246 CA PRO A 82 8.251 11.970 -2.668 1.00 52.20 C ATOM 1247 C PRO A 82 7.915 13.245 -3.513 1.00 24.44 C ATOM 1248 O PRO A 82 8.454 14.326 -3.249 1.00 22.12 O ATOM 1249 CB PRO A 82 7.667 12.071 -1.239 1.00 42.21 C ATOM 1250 CG PRO A 82 8.737 12.757 -0.426 1.00 44.25 C ATOM 1251 CD PRO A 82 10.073 12.458 -1.104 1.00 11.13 C ATOM 0 HA PRO A 82 7.844 11.159 -3.272 1.00 52.20 H new ATOM 0 HB2 PRO A 82 6.739 12.643 -1.232 1.00 42.21 H new ATOM 0 HB3 PRO A 82 7.437 11.085 -0.836 1.00 42.21 H new ATOM 0 HG2 PRO A 82 8.559 13.831 -0.382 1.00 44.25 H new ATOM 0 HG3 PRO A 82 8.735 12.391 0.601 1.00 44.25 H new ATOM 0 HD2 PRO A 82 10.644 13.370 -1.275 1.00 11.13 H new ATOM 0 HD3 PRO A 82 10.692 11.805 -0.490 1.00 11.13 H new ATOM 1259 N PRO A 83 7.002 13.148 -4.537 1.00 34.32 N ATOM 1260 CA PRO A 83 6.551 14.335 -5.320 1.00 32.25 C ATOM 1261 C PRO A 83 5.544 15.237 -4.544 1.00 65.02 C ATOM 1262 O PRO A 83 5.229 16.346 -4.980 1.00 11.23 O ATOM 1263 CB PRO A 83 5.898 13.693 -6.567 1.00 10.22 C ATOM 1264 CG PRO A 83 5.365 12.379 -6.074 1.00 52.41 C ATOM 1265 CD PRO A 83 6.367 11.893 -5.042 1.00 61.01 C ATOM 0 HA PRO A 83 7.372 15.013 -5.552 1.00 32.25 H new ATOM 0 HB2 PRO A 83 5.101 14.321 -6.966 1.00 10.22 H new ATOM 0 HB3 PRO A 83 6.624 13.552 -7.368 1.00 10.22 H new ATOM 0 HG2 PRO A 83 4.375 12.498 -5.633 1.00 52.41 H new ATOM 0 HG3 PRO A 83 5.266 11.665 -6.891 1.00 52.41 H new ATOM 0 HD2 PRO A 83 5.878 11.342 -4.239 1.00 61.01 H new ATOM 0 HD3 PRO A 83 7.104 11.223 -5.485 1.00 61.01 H new ATOM 1273 N PHE A 84 5.043 14.733 -3.400 1.00 62.11 N ATOM 1274 CA PHE A 84 4.096 15.463 -2.525 1.00 45.55 C ATOM 1275 C PHE A 84 4.869 16.214 -1.404 1.00 73.50 C ATOM 1276 O PHE A 84 5.741 15.606 -0.770 1.00 74.34 O ATOM 1277 CB PHE A 84 3.086 14.458 -1.908 1.00 64.31 C ATOM 1278 CG PHE A 84 2.360 13.604 -2.953 1.00 14.04 C ATOM 1279 CD1 PHE A 84 1.429 14.178 -3.821 1.00 43.14 C ATOM 1280 CD2 PHE A 84 2.620 12.236 -3.079 1.00 32.02 C ATOM 1281 CE1 PHE A 84 0.773 13.415 -4.769 1.00 70.52 C ATOM 1282 CE2 PHE A 84 1.963 11.473 -4.028 1.00 12.53 C ATOM 1283 CZ PHE A 84 1.043 12.063 -4.877 1.00 42.15 C ATOM 0 H PHE A 84 5.283 13.804 -3.052 1.00 62.11 H new ATOM 0 HA PHE A 84 3.552 16.199 -3.116 1.00 45.55 H new ATOM 0 HB2 PHE A 84 3.615 13.801 -1.217 1.00 64.31 H new ATOM 0 HB3 PHE A 84 2.349 15.008 -1.324 1.00 64.31 H new ATOM 0 HD1 PHE A 84 1.218 15.235 -3.751 1.00 43.14 H new ATOM 0 HD2 PHE A 84 3.343 11.769 -2.427 1.00 32.02 H new ATOM 0 HE1 PHE A 84 0.049 13.875 -5.426 1.00 70.52 H new ATOM 0 HE2 PHE A 84 2.168 10.416 -4.106 1.00 12.53 H new ATOM 0 HZ PHE A 84 0.537 11.468 -5.623 1.00 42.15 H new ATOM 1293 N PRO A 85 4.583 17.545 -1.156 1.00 62.34 N ATOM 1294 CA PRO A 85 5.269 18.340 -0.092 1.00 12.23 C ATOM 1295 C PRO A 85 4.993 17.814 1.353 1.00 33.23 C ATOM 1296 O PRO A 85 4.020 18.205 2.016 1.00 2.14 O ATOM 1297 CB PRO A 85 4.734 19.785 -0.311 1.00 62.40 C ATOM 1298 CG PRO A 85 3.430 19.604 -1.031 1.00 61.11 C ATOM 1299 CD PRO A 85 3.604 18.380 -1.907 1.00 14.42 C ATOM 0 HA PRO A 85 6.354 18.274 -0.172 1.00 12.23 H new ATOM 0 HB2 PRO A 85 4.594 20.303 0.638 1.00 62.40 H new ATOM 0 HB3 PRO A 85 5.432 20.381 -0.900 1.00 62.40 H new ATOM 0 HG2 PRO A 85 2.611 19.466 -0.326 1.00 61.11 H new ATOM 0 HG3 PRO A 85 3.190 20.482 -1.630 1.00 61.11 H new ATOM 0 HD2 PRO A 85 2.660 17.855 -2.054 1.00 14.42 H new ATOM 0 HD3 PRO A 85 3.979 18.645 -2.896 1.00 14.42 H new ATOM 1307 N ILE A 86 5.855 16.870 1.790 1.00 41.22 N ATOM 1308 CA ILE A 86 5.821 16.242 3.138 1.00 71.24 C ATOM 1309 C ILE A 86 7.260 16.186 3.729 1.00 73.03 C ATOM 1310 O ILE A 86 8.243 16.381 3.002 1.00 73.21 O ATOM 1311 CB ILE A 86 5.207 14.782 3.084 1.00 5.03 C ATOM 1312 CG1 ILE A 86 6.089 13.834 2.207 1.00 65.22 C ATOM 1313 CG2 ILE A 86 3.743 14.802 2.575 1.00 51.43 C ATOM 1314 CD1 ILE A 86 5.545 12.426 2.041 1.00 75.22 C ATOM 0 H ILE A 86 6.611 16.513 1.206 1.00 41.22 H new ATOM 0 HA ILE A 86 5.183 16.852 3.777 1.00 71.24 H new ATOM 0 HB ILE A 86 5.199 14.392 4.102 1.00 5.03 H new ATOM 0 HG12 ILE A 86 6.206 14.281 1.220 1.00 65.22 H new ATOM 0 HG13 ILE A 86 7.083 13.774 2.650 1.00 65.22 H new ATOM 0 HG21 ILE A 86 3.352 13.785 2.550 1.00 51.43 H new ATOM 0 HG22 ILE A 86 3.133 15.409 3.245 1.00 51.43 H new ATOM 0 HG23 ILE A 86 3.712 15.227 1.572 1.00 51.43 H new ATOM 0 HD11 ILE A 86 6.225 11.844 1.418 1.00 75.22 H new ATOM 0 HD12 ILE A 86 5.455 11.953 3.019 1.00 75.22 H new ATOM 0 HD13 ILE A 86 4.565 12.468 1.567 1.00 75.22 H new ATOM 1326 N THR A 87 7.382 15.935 5.047 1.00 24.44 N ATOM 1327 CA THR A 87 8.701 15.793 5.725 1.00 5.42 C ATOM 1328 C THR A 87 9.051 14.303 5.947 1.00 0.22 C ATOM 1329 O THR A 87 9.861 13.737 5.207 1.00 11.54 O ATOM 1330 CB THR A 87 8.738 16.593 7.074 1.00 43.44 C ATOM 1331 OG1 THR A 87 8.476 17.984 6.813 1.00 72.53 O ATOM 1332 CG2 THR A 87 10.083 16.458 7.818 1.00 40.25 C ATOM 0 H THR A 87 6.584 15.825 5.672 1.00 24.44 H new ATOM 0 HA THR A 87 9.460 16.221 5.070 1.00 5.42 H new ATOM 0 HB THR A 87 7.969 16.167 7.719 1.00 43.44 H new ATOM 0 HG1 THR A 87 8.497 18.485 7.655 1.00 72.53 H new ATOM 0 HG21 THR A 87 10.047 17.033 8.743 1.00 40.25 H new ATOM 0 HG22 THR A 87 10.267 15.409 8.050 1.00 40.25 H new ATOM 0 HG23 THR A 87 10.887 16.836 7.187 1.00 40.25 H new ATOM 1340 N ASN A 88 8.429 13.658 6.957 1.00 41.45 N ATOM 1341 CA ASN A 88 8.665 12.224 7.245 1.00 44.42 C ATOM 1342 C ASN A 88 7.450 11.362 6.816 1.00 53.21 C ATOM 1343 O ASN A 88 6.363 11.468 7.387 1.00 22.12 O ATOM 1344 CB ASN A 88 9.040 12.007 8.745 1.00 64.54 C ATOM 1345 CG ASN A 88 8.064 12.626 9.746 1.00 1.43 C ATOM 1346 OD1 ASN A 88 8.237 13.761 10.174 1.00 43.23 O ATOM 1347 ND2 ASN A 88 7.026 11.899 10.121 1.00 52.55 N ATOM 0 H ASN A 88 7.761 14.105 7.586 1.00 41.45 H new ATOM 0 HA ASN A 88 9.517 11.893 6.651 1.00 44.42 H new ATOM 0 HB2 ASN A 88 9.105 10.936 8.937 1.00 64.54 H new ATOM 0 HB3 ASN A 88 10.032 12.423 8.921 1.00 64.54 H new ATOM 0 HD21 ASN A 88 6.348 12.280 10.780 1.00 52.55 H new ATOM 0 HD22 ASN A 88 6.903 10.956 9.751 1.00 52.55 H new ATOM 1354 N HIS A 89 7.637 10.553 5.754 1.00 13.22 N ATOM 1355 CA HIS A 89 6.622 9.566 5.298 1.00 34.04 C ATOM 1356 C HIS A 89 6.812 8.200 6.006 1.00 15.43 C ATOM 1357 O HIS A 89 7.936 7.807 6.343 1.00 11.30 O ATOM 1358 CB HIS A 89 6.697 9.375 3.762 1.00 43.20 C ATOM 1359 CG HIS A 89 5.674 8.402 3.213 1.00 73.23 C ATOM 1360 ND1 HIS A 89 6.051 7.194 2.681 1.00 2.50 N ATOM 1361 CD2 HIS A 89 4.317 8.496 3.167 1.00 32.21 C ATOM 1362 CE1 HIS A 89 4.939 6.584 2.324 1.00 20.31 C ATOM 1363 NE2 HIS A 89 3.864 7.333 2.599 1.00 41.13 N ATOM 0 H HIS A 89 8.486 10.560 5.189 1.00 13.22 H new ATOM 0 HA HIS A 89 5.640 9.958 5.560 1.00 34.04 H new ATOM 0 HB2 HIS A 89 6.560 10.342 3.278 1.00 43.20 H new ATOM 0 HB3 HIS A 89 7.695 9.025 3.498 1.00 43.20 H new ATOM 0 HD2 HIS A 89 3.715 9.324 3.511 1.00 32.21 H new ATOM 0 HE1 HIS A 89 4.900 5.606 1.868 1.00 20.31 H new ATOM 0 HE2 HIS A 89 2.891 7.085 2.420 1.00 41.13 H new ATOM 1371 N ARG A 90 5.692 7.502 6.237 1.00 53.32 N ATOM 1372 CA ARG A 90 5.666 6.136 6.787 1.00 62.52 C ATOM 1373 C ARG A 90 4.377 5.426 6.304 1.00 53.33 C ATOM 1374 O ARG A 90 3.292 5.956 6.491 1.00 10.42 O ATOM 1375 CB ARG A 90 5.688 6.215 8.342 1.00 10.52 C ATOM 1376 CG ARG A 90 5.993 4.890 9.057 1.00 11.20 C ATOM 1377 CD ARG A 90 7.443 4.432 8.853 1.00 40.44 C ATOM 1378 NE ARG A 90 7.739 3.219 9.629 1.00 41.40 N ATOM 1379 CZ ARG A 90 8.912 2.881 10.108 1.00 11.32 C ATOM 1380 NH1 ARG A 90 9.933 3.677 10.021 1.00 63.05 N ATOM 1381 NH2 ARG A 90 9.045 1.746 10.698 1.00 63.25 N ATOM 0 H ARG A 90 4.762 7.875 6.044 1.00 53.32 H new ATOM 0 HA ARG A 90 6.535 5.572 6.447 1.00 62.52 H new ATOM 0 HB2 ARG A 90 6.433 6.952 8.642 1.00 10.52 H new ATOM 0 HB3 ARG A 90 4.721 6.581 8.686 1.00 10.52 H new ATOM 0 HG2 ARG A 90 5.798 5.003 10.123 1.00 11.20 H new ATOM 0 HG3 ARG A 90 5.317 4.118 8.689 1.00 11.20 H new ATOM 0 HD2 ARG A 90 7.620 4.240 7.795 1.00 40.44 H new ATOM 0 HD3 ARG A 90 8.123 5.230 9.150 1.00 40.44 H new ATOM 0 HE ARG A 90 6.962 2.583 9.811 1.00 41.40 H new ATOM 0 HH11 ARG A 90 9.833 4.588 9.573 1.00 63.05 H new ATOM 0 HH12 ARG A 90 10.836 3.392 10.401 1.00 63.05 H new ATOM 0 HH21 ARG A 90 8.244 1.121 10.789 1.00 63.25 H new ATOM 0 HH22 ARG A 90 9.952 1.470 11.075 1.00 63.25 H new ATOM 1395 N ALA A 91 4.488 4.246 5.673 1.00 71.03 N ATOM 1396 CA ALA A 91 3.302 3.491 5.179 1.00 34.11 C ATOM 1397 C ALA A 91 3.416 1.981 5.467 1.00 63.15 C ATOM 1398 O ALA A 91 4.510 1.427 5.470 1.00 34.34 O ATOM 1399 CB ALA A 91 3.097 3.752 3.684 1.00 32.23 C ATOM 0 H ALA A 91 5.380 3.787 5.488 1.00 71.03 H new ATOM 0 HA ALA A 91 2.428 3.850 5.723 1.00 34.11 H new ATOM 0 HB1 ALA A 91 2.228 3.196 3.333 1.00 32.23 H new ATOM 0 HB2 ALA A 91 2.936 4.817 3.519 1.00 32.23 H new ATOM 0 HB3 ALA A 91 3.981 3.429 3.134 1.00 32.23 H new ATOM 1405 N VAL A 92 2.260 1.326 5.724 1.00 32.52 N ATOM 1406 CA VAL A 92 2.189 -0.113 6.094 1.00 11.02 C ATOM 1407 C VAL A 92 1.110 -0.855 5.245 1.00 75.14 C ATOM 1408 O VAL A 92 0.073 -0.286 4.910 1.00 15.13 O ATOM 1409 CB VAL A 92 1.843 -0.300 7.629 1.00 72.21 C ATOM 1410 CG1 VAL A 92 2.046 -1.763 8.081 1.00 21.00 C ATOM 1411 CG2 VAL A 92 2.646 0.664 8.535 1.00 53.22 C ATOM 0 H VAL A 92 1.347 1.778 5.681 1.00 32.52 H new ATOM 0 HA VAL A 92 3.172 -0.539 5.893 1.00 11.02 H new ATOM 0 HB VAL A 92 0.788 -0.050 7.739 1.00 72.21 H new ATOM 0 HG11 VAL A 92 1.800 -1.855 9.139 1.00 21.00 H new ATOM 0 HG12 VAL A 92 1.397 -2.417 7.499 1.00 21.00 H new ATOM 0 HG13 VAL A 92 3.085 -2.051 7.924 1.00 21.00 H new ATOM 0 HG21 VAL A 92 2.373 0.496 9.577 1.00 53.22 H new ATOM 0 HG22 VAL A 92 3.713 0.481 8.406 1.00 53.22 H new ATOM 0 HG23 VAL A 92 2.419 1.694 8.262 1.00 53.22 H new ATOM 1421 N LEU A 93 1.381 -2.134 4.923 1.00 51.13 N ATOM 1422 CA LEU A 93 0.441 -3.043 4.222 1.00 52.44 C ATOM 1423 C LEU A 93 0.121 -4.228 5.170 1.00 63.02 C ATOM 1424 O LEU A 93 0.986 -5.067 5.411 1.00 40.04 O ATOM 1425 CB LEU A 93 1.092 -3.577 2.884 1.00 22.41 C ATOM 1426 CG LEU A 93 0.222 -3.540 1.582 1.00 52.23 C ATOM 1427 CD1 LEU A 93 -1.205 -4.076 1.812 1.00 23.14 C ATOM 1428 CD2 LEU A 93 0.225 -2.137 0.958 1.00 4.34 C ATOM 0 H LEU A 93 2.273 -2.576 5.144 1.00 51.13 H new ATOM 0 HA LEU A 93 -0.474 -2.510 3.963 1.00 52.44 H new ATOM 0 HB2 LEU A 93 1.997 -2.999 2.698 1.00 22.41 H new ATOM 0 HB3 LEU A 93 1.401 -4.609 3.051 1.00 22.41 H new ATOM 0 HG LEU A 93 0.683 -4.218 0.864 1.00 52.23 H new ATOM 0 HD11 LEU A 93 -1.766 -4.029 0.879 1.00 23.14 H new ATOM 0 HD12 LEU A 93 -1.155 -5.110 2.153 1.00 23.14 H new ATOM 0 HD13 LEU A 93 -1.704 -3.469 2.567 1.00 23.14 H new ATOM 0 HD21 LEU A 93 -0.386 -2.139 0.056 1.00 4.34 H new ATOM 0 HD22 LEU A 93 -0.183 -1.421 1.671 1.00 4.34 H new ATOM 0 HD23 LEU A 93 1.246 -1.854 0.704 1.00 4.34 H new ATOM 1440 N GLU A 94 -1.107 -4.288 5.712 1.00 42.10 N ATOM 1441 CA GLU A 94 -1.522 -5.371 6.641 1.00 60.02 C ATOM 1442 C GLU A 94 -2.780 -6.081 6.114 1.00 42.42 C ATOM 1443 O GLU A 94 -3.860 -5.491 6.077 1.00 40.44 O ATOM 1444 CB GLU A 94 -1.785 -4.799 8.065 1.00 52.14 C ATOM 1445 CG GLU A 94 -0.540 -4.213 8.748 1.00 11.44 C ATOM 1446 CD GLU A 94 -0.821 -3.622 10.138 1.00 2.50 C ATOM 1447 OE1 GLU A 94 -1.246 -2.444 10.224 1.00 14.32 O ATOM 1448 OE2 GLU A 94 -0.620 -4.326 11.154 1.00 73.24 O ATOM 0 H GLU A 94 -1.837 -3.600 5.526 1.00 42.10 H new ATOM 0 HA GLU A 94 -0.712 -6.097 6.702 1.00 60.02 H new ATOM 0 HB2 GLU A 94 -2.548 -4.023 7.998 1.00 52.14 H new ATOM 0 HB3 GLU A 94 -2.191 -5.592 8.693 1.00 52.14 H new ATOM 0 HG2 GLU A 94 0.215 -4.994 8.840 1.00 11.44 H new ATOM 0 HG3 GLU A 94 -0.118 -3.436 8.111 1.00 11.44 H new ATOM 1455 N VAL A 95 -2.640 -7.361 5.721 1.00 23.04 N ATOM 1456 CA VAL A 95 -3.793 -8.178 5.294 1.00 12.04 C ATOM 1457 C VAL A 95 -4.370 -8.910 6.528 1.00 13.04 C ATOM 1458 O VAL A 95 -3.771 -9.856 7.043 1.00 12.20 O ATOM 1459 CB VAL A 95 -3.387 -9.216 4.178 1.00 22.41 C ATOM 1460 CG1 VAL A 95 -4.632 -9.927 3.597 1.00 4.23 C ATOM 1461 CG2 VAL A 95 -2.556 -8.542 3.055 1.00 25.52 C ATOM 0 H VAL A 95 -1.745 -7.850 5.690 1.00 23.04 H new ATOM 0 HA VAL A 95 -4.549 -7.521 4.863 1.00 12.04 H new ATOM 0 HB VAL A 95 -2.758 -9.973 4.647 1.00 22.41 H new ATOM 0 HG11 VAL A 95 -4.321 -10.636 2.830 1.00 4.23 H new ATOM 0 HG12 VAL A 95 -5.152 -10.459 4.394 1.00 4.23 H new ATOM 0 HG13 VAL A 95 -5.301 -9.187 3.157 1.00 4.23 H new ATOM 0 HG21 VAL A 95 -2.292 -9.285 2.302 1.00 25.52 H new ATOM 0 HG22 VAL A 95 -3.144 -7.749 2.593 1.00 25.52 H new ATOM 0 HG23 VAL A 95 -1.646 -8.118 3.480 1.00 25.52 H new ATOM 1471 N VAL A 96 -5.548 -8.456 6.969 1.00 40.34 N ATOM 1472 CA VAL A 96 -6.206 -8.911 8.212 1.00 73.32 C ATOM 1473 C VAL A 96 -7.300 -9.963 7.884 1.00 33.54 C ATOM 1474 O VAL A 96 -8.333 -9.607 7.317 1.00 12.41 O ATOM 1475 CB VAL A 96 -6.856 -7.685 8.976 1.00 73.33 C ATOM 1476 CG1 VAL A 96 -7.475 -8.109 10.335 1.00 31.32 C ATOM 1477 CG2 VAL A 96 -5.837 -6.525 9.159 1.00 13.40 C ATOM 0 H VAL A 96 -6.086 -7.749 6.467 1.00 40.34 H new ATOM 0 HA VAL A 96 -5.452 -9.366 8.854 1.00 73.32 H new ATOM 0 HB VAL A 96 -7.671 -7.317 8.352 1.00 73.33 H new ATOM 0 HG11 VAL A 96 -7.909 -7.237 10.825 1.00 31.32 H new ATOM 0 HG12 VAL A 96 -8.252 -8.854 10.164 1.00 31.32 H new ATOM 0 HG13 VAL A 96 -6.699 -8.534 10.972 1.00 31.32 H new ATOM 0 HG21 VAL A 96 -6.316 -5.700 9.687 1.00 13.40 H new ATOM 0 HG22 VAL A 96 -4.983 -6.879 9.737 1.00 13.40 H new ATOM 0 HG23 VAL A 96 -5.497 -6.182 8.182 1.00 13.40 H new ATOM 1487 N PRO A 97 -7.099 -11.280 8.219 1.00 4.03 N ATOM 1488 CA PRO A 97 -8.114 -12.333 7.935 1.00 34.20 C ATOM 1489 C PRO A 97 -9.391 -12.205 8.823 1.00 33.24 C ATOM 1490 O PRO A 97 -9.303 -12.156 10.057 1.00 12.42 O ATOM 1491 CB PRO A 97 -7.338 -13.647 8.210 1.00 12.32 C ATOM 1492 CG PRO A 97 -6.288 -13.266 9.216 1.00 3.21 C ATOM 1493 CD PRO A 97 -5.887 -11.843 8.876 1.00 35.32 C ATOM 0 HA PRO A 97 -8.508 -12.270 6.921 1.00 34.20 H new ATOM 0 HB2 PRO A 97 -7.997 -14.422 8.600 1.00 12.32 H new ATOM 0 HB3 PRO A 97 -6.889 -14.040 7.298 1.00 12.32 H new ATOM 0 HG2 PRO A 97 -6.678 -13.330 10.232 1.00 3.21 H new ATOM 0 HG3 PRO A 97 -5.431 -13.938 9.160 1.00 3.21 H new ATOM 0 HD2 PRO A 97 -5.618 -11.279 9.769 1.00 35.32 H new ATOM 0 HD3 PRO A 97 -5.024 -11.819 8.211 1.00 35.32 H new ATOM 1501 N ARG A 98 -10.571 -12.123 8.174 1.00 4.04 N ATOM 1502 CA ARG A 98 -11.887 -12.062 8.861 1.00 23.22 C ATOM 1503 C ARG A 98 -12.451 -13.507 8.969 1.00 4.13 C ATOM 1504 O ARG A 98 -12.773 -13.986 10.062 1.00 53.01 O ATOM 1505 CB ARG A 98 -12.840 -11.089 8.073 1.00 12.50 C ATOM 1506 CG ARG A 98 -14.132 -10.621 8.819 1.00 62.22 C ATOM 1507 CD ARG A 98 -15.263 -11.671 8.839 1.00 64.30 C ATOM 1508 NE ARG A 98 -16.470 -11.229 9.562 1.00 22.34 N ATOM 1509 CZ ARG A 98 -17.627 -11.876 9.581 1.00 32.53 C ATOM 1510 NH1 ARG A 98 -17.799 -12.983 8.919 1.00 35.32 N ATOM 1511 NH2 ARG A 98 -18.607 -11.407 10.276 1.00 22.32 N ATOM 0 H ARG A 98 -10.643 -12.097 7.157 1.00 4.04 H new ATOM 0 HA ARG A 98 -11.794 -11.664 9.871 1.00 23.22 H new ATOM 0 HB2 ARG A 98 -12.268 -10.204 7.793 1.00 12.50 H new ATOM 0 HB3 ARG A 98 -13.140 -11.581 7.147 1.00 12.50 H new ATOM 0 HG2 ARG A 98 -13.872 -10.363 9.846 1.00 62.22 H new ATOM 0 HG3 ARG A 98 -14.503 -9.712 8.346 1.00 62.22 H new ATOM 0 HD2 ARG A 98 -15.535 -11.918 7.813 1.00 64.30 H new ATOM 0 HD3 ARG A 98 -14.889 -12.586 9.299 1.00 64.30 H new ATOM 0 HE ARG A 98 -16.410 -10.357 10.089 1.00 22.34 H new ATOM 0 HH11 ARG A 98 -17.033 -13.372 8.369 1.00 35.32 H new ATOM 0 HH12 ARG A 98 -18.699 -13.461 8.950 1.00 35.32 H new ATOM 0 HH21 ARG A 98 -18.489 -10.544 10.806 1.00 22.32 H new ATOM 0 HH22 ARG A 98 -19.500 -11.899 10.295 1.00 22.32 H new ATOM 1525 N ASP A 99 -12.577 -14.168 7.805 1.00 62.33 N ATOM 1526 CA ASP A 99 -12.903 -15.612 7.683 1.00 20.44 C ATOM 1527 C ASP A 99 -11.746 -16.361 6.966 1.00 63.54 C ATOM 1528 O ASP A 99 -10.662 -15.800 6.752 1.00 15.01 O ATOM 1529 CB ASP A 99 -14.219 -15.808 6.878 1.00 45.21 C ATOM 1530 CG ASP A 99 -15.436 -15.129 7.513 1.00 72.23 C ATOM 1531 OD1 ASP A 99 -15.849 -15.538 8.615 1.00 54.23 O ATOM 1532 OD2 ASP A 99 -15.995 -14.193 6.905 1.00 73.00 O ATOM 0 H ASP A 99 -12.454 -13.711 6.902 1.00 62.33 H new ATOM 0 HA ASP A 99 -13.035 -16.019 8.686 1.00 20.44 H new ATOM 0 HB2 ASP A 99 -14.080 -15.416 5.870 1.00 45.21 H new ATOM 0 HB3 ASP A 99 -14.419 -16.875 6.780 1.00 45.21 H new ATOM 1537 N ASP A 100 -11.997 -17.635 6.587 1.00 64.32 N ATOM 1538 CA ASP A 100 -11.066 -18.430 5.751 1.00 64.32 C ATOM 1539 C ASP A 100 -11.171 -18.039 4.258 1.00 34.40 C ATOM 1540 O ASP A 100 -10.218 -18.207 3.500 1.00 52.12 O ATOM 1541 CB ASP A 100 -11.344 -19.948 5.916 1.00 70.31 C ATOM 1542 CG ASP A 100 -11.211 -20.434 7.366 1.00 22.43 C ATOM 1543 OD1 ASP A 100 -10.187 -20.123 8.018 1.00 63.00 O ATOM 1544 OD2 ASP A 100 -12.122 -21.144 7.858 1.00 73.04 O ATOM 0 H ASP A 100 -12.844 -18.139 6.849 1.00 64.32 H new ATOM 0 HA ASP A 100 -10.054 -18.211 6.092 1.00 64.32 H new ATOM 0 HB2 ASP A 100 -12.349 -20.168 5.557 1.00 70.31 H new ATOM 0 HB3 ASP A 100 -10.652 -20.508 5.287 1.00 70.31 H new ATOM 1549 N ARG A 101 -12.352 -17.546 3.847 1.00 43.10 N ATOM 1550 CA ARG A 101 -12.629 -17.114 2.449 1.00 22.35 C ATOM 1551 C ARG A 101 -12.771 -15.587 2.318 1.00 75.01 C ATOM 1552 O ARG A 101 -13.045 -15.087 1.228 1.00 72.03 O ATOM 1553 CB ARG A 101 -13.923 -17.814 1.942 1.00 2.33 C ATOM 1554 CG ARG A 101 -13.775 -19.333 1.744 1.00 11.52 C ATOM 1555 CD ARG A 101 -12.741 -19.686 0.653 1.00 20.24 C ATOM 1556 NE ARG A 101 -12.410 -21.120 0.646 1.00 72.23 N ATOM 1557 CZ ARG A 101 -11.696 -21.740 -0.267 1.00 14.20 C ATOM 1558 NH1 ARG A 101 -11.305 -21.136 -1.348 1.00 64.52 N ATOM 1559 NH2 ARG A 101 -11.403 -22.987 -0.094 1.00 11.43 N ATOM 0 H ARG A 101 -13.151 -17.432 4.471 1.00 43.10 H new ATOM 0 HA ARG A 101 -11.775 -17.406 1.838 1.00 22.35 H new ATOM 0 HB2 ARG A 101 -14.728 -17.627 2.653 1.00 2.33 H new ATOM 0 HB3 ARG A 101 -14.222 -17.362 0.996 1.00 2.33 H new ATOM 0 HG2 ARG A 101 -13.476 -19.792 2.686 1.00 11.52 H new ATOM 0 HG3 ARG A 101 -14.742 -19.758 1.475 1.00 11.52 H new ATOM 0 HD2 ARG A 101 -13.133 -19.400 -0.323 1.00 20.24 H new ATOM 0 HD3 ARG A 101 -11.833 -19.106 0.814 1.00 20.24 H new ATOM 0 HE ARG A 101 -12.766 -21.683 1.418 1.00 72.23 H new ATOM 0 HH11 ARG A 101 -11.551 -20.158 -1.503 1.00 64.52 H new ATOM 0 HH12 ARG A 101 -10.752 -21.639 -2.042 1.00 64.52 H new ATOM 0 HH21 ARG A 101 -11.725 -23.475 0.742 1.00 11.43 H new ATOM 0 HH22 ARG A 101 -10.850 -23.483 -0.793 1.00 11.43 H new ATOM 1573 N HIS A 102 -12.593 -14.848 3.426 1.00 31.21 N ATOM 1574 CA HIS A 102 -12.759 -13.374 3.446 1.00 31.11 C ATOM 1575 C HIS A 102 -11.615 -12.731 4.257 1.00 72.04 C ATOM 1576 O HIS A 102 -11.388 -13.098 5.405 1.00 64.32 O ATOM 1577 CB HIS A 102 -14.145 -12.985 4.043 1.00 64.01 C ATOM 1578 CG HIS A 102 -15.324 -13.660 3.366 1.00 0.40 C ATOM 1579 ND1 HIS A 102 -16.151 -14.556 4.007 1.00 62.13 N ATOM 1580 CD2 HIS A 102 -15.786 -13.595 2.091 1.00 2.20 C ATOM 1581 CE1 HIS A 102 -17.055 -15.006 3.171 1.00 61.34 C ATOM 1582 NE2 HIS A 102 -16.865 -14.438 2.008 1.00 31.50 N ATOM 0 H HIS A 102 -12.332 -15.245 4.328 1.00 31.21 H new ATOM 0 HA HIS A 102 -12.718 -13.000 2.423 1.00 31.11 H new ATOM 0 HB2 HIS A 102 -14.155 -13.238 5.103 1.00 64.01 H new ATOM 0 HB3 HIS A 102 -14.269 -11.904 3.972 1.00 64.01 H new ATOM 0 HD1 HIS A 102 -16.072 -14.829 4.987 1.00 62.13 H new ATOM 0 HD2 HIS A 102 -15.380 -12.993 1.292 1.00 2.20 H new ATOM 0 HE1 HIS A 102 -17.827 -15.725 3.403 1.00 61.34 H new ATOM 1591 N CYS A 103 -10.891 -11.781 3.648 1.00 30.23 N ATOM 1592 CA CYS A 103 -9.789 -11.055 4.323 1.00 60.25 C ATOM 1593 C CYS A 103 -9.846 -9.554 3.993 1.00 53.42 C ATOM 1594 O CYS A 103 -10.020 -9.164 2.837 1.00 15.11 O ATOM 1595 CB CYS A 103 -8.418 -11.633 3.908 1.00 44.04 C ATOM 1596 SG CYS A 103 -8.004 -11.417 2.163 1.00 62.22 S ATOM 0 H CYS A 103 -11.045 -11.491 2.682 1.00 30.23 H new ATOM 0 HA CYS A 103 -9.912 -11.183 5.398 1.00 60.25 H new ATOM 0 HB2 CYS A 103 -7.643 -11.162 4.512 1.00 44.04 H new ATOM 0 HB3 CYS A 103 -8.402 -12.697 4.142 1.00 44.04 H new ATOM 0 HG CYS A 103 -8.413 -12.450 1.489 1.00 62.22 H new ATOM 1602 N THR A 104 -9.725 -8.723 5.031 1.00 25.32 N ATOM 1603 CA THR A 104 -9.712 -7.263 4.891 1.00 13.44 C ATOM 1604 C THR A 104 -8.267 -6.739 4.734 1.00 53.24 C ATOM 1605 O THR A 104 -7.496 -6.746 5.691 1.00 23.02 O ATOM 1606 CB THR A 104 -10.378 -6.589 6.132 1.00 64.41 C ATOM 1607 OG1 THR A 104 -11.692 -7.142 6.349 1.00 54.11 O ATOM 1608 CG2 THR A 104 -10.485 -5.065 5.966 1.00 34.32 C ATOM 0 H THR A 104 -9.633 -9.043 5.995 1.00 25.32 H new ATOM 0 HA THR A 104 -10.279 -7.008 3.996 1.00 13.44 H new ATOM 0 HB THR A 104 -9.743 -6.791 6.994 1.00 64.41 H new ATOM 0 HG1 THR A 104 -12.102 -6.715 7.130 1.00 54.11 H new ATOM 0 HG21 THR A 104 -10.954 -4.635 6.851 1.00 34.32 H new ATOM 0 HG22 THR A 104 -9.488 -4.642 5.841 1.00 34.32 H new ATOM 0 HG23 THR A 104 -11.089 -4.836 5.088 1.00 34.32 H new ATOM 1616 N VAL A 105 -7.915 -6.257 3.528 1.00 21.23 N ATOM 1617 CA VAL A 105 -6.564 -5.717 3.250 1.00 23.04 C ATOM 1618 C VAL A 105 -6.528 -4.214 3.591 1.00 0.30 C ATOM 1619 O VAL A 105 -7.172 -3.395 2.922 1.00 33.40 O ATOM 1620 CB VAL A 105 -6.141 -5.946 1.754 1.00 12.25 C ATOM 1621 CG1 VAL A 105 -4.669 -5.528 1.497 1.00 23.01 C ATOM 1622 CG2 VAL A 105 -6.382 -7.409 1.343 1.00 73.14 C ATOM 0 H VAL A 105 -8.546 -6.229 2.727 1.00 21.23 H new ATOM 0 HA VAL A 105 -5.850 -6.252 3.876 1.00 23.04 H new ATOM 0 HB VAL A 105 -6.767 -5.305 1.133 1.00 12.25 H new ATOM 0 HG11 VAL A 105 -4.418 -5.703 0.451 1.00 23.01 H new ATOM 0 HG12 VAL A 105 -4.546 -4.470 1.728 1.00 23.01 H new ATOM 0 HG13 VAL A 105 -4.007 -6.117 2.132 1.00 23.01 H new ATOM 0 HG21 VAL A 105 -6.083 -7.549 0.304 1.00 73.14 H new ATOM 0 HG22 VAL A 105 -5.794 -8.068 1.982 1.00 73.14 H new ATOM 0 HG23 VAL A 105 -7.440 -7.648 1.452 1.00 73.14 H new ATOM 1632 N VAL A 106 -5.787 -3.874 4.649 1.00 24.23 N ATOM 1633 CA VAL A 106 -5.699 -2.503 5.173 1.00 71.22 C ATOM 1634 C VAL A 106 -4.375 -1.833 4.731 1.00 71.24 C ATOM 1635 O VAL A 106 -3.287 -2.261 5.131 1.00 73.13 O ATOM 1636 CB VAL A 106 -5.808 -2.477 6.743 1.00 74.34 C ATOM 1637 CG1 VAL A 106 -5.836 -1.022 7.281 1.00 10.13 C ATOM 1638 CG2 VAL A 106 -7.043 -3.276 7.235 1.00 3.34 C ATOM 0 H VAL A 106 -5.226 -4.546 5.172 1.00 24.23 H new ATOM 0 HA VAL A 106 -6.539 -1.944 4.761 1.00 71.22 H new ATOM 0 HB VAL A 106 -4.917 -2.963 7.142 1.00 74.34 H new ATOM 0 HG11 VAL A 106 -5.912 -1.037 8.368 1.00 10.13 H new ATOM 0 HG12 VAL A 106 -4.920 -0.508 6.988 1.00 10.13 H new ATOM 0 HG13 VAL A 106 -6.696 -0.497 6.865 1.00 10.13 H new ATOM 0 HG21 VAL A 106 -7.090 -3.239 8.323 1.00 3.34 H new ATOM 0 HG22 VAL A 106 -7.950 -2.838 6.817 1.00 3.34 H new ATOM 0 HG23 VAL A 106 -6.958 -4.313 6.911 1.00 3.34 H new ATOM 1648 N TRP A 107 -4.484 -0.778 3.905 1.00 4.24 N ATOM 1649 CA TRP A 107 -3.331 0.032 3.463 1.00 63.33 C ATOM 1650 C TRP A 107 -3.322 1.375 4.243 1.00 14.04 C ATOM 1651 O TRP A 107 -4.265 2.170 4.153 1.00 32.05 O ATOM 1652 CB TRP A 107 -3.406 0.267 1.928 1.00 14.20 C ATOM 1653 CG TRP A 107 -2.119 0.720 1.262 1.00 72.43 C ATOM 1654 CD1 TRP A 107 -0.954 1.136 1.856 1.00 72.45 C ATOM 1655 CD2 TRP A 107 -1.883 0.788 -0.150 1.00 54.24 C ATOM 1656 NE1 TRP A 107 -0.027 1.453 0.901 1.00 14.24 N ATOM 1657 CE2 TRP A 107 -0.570 1.251 -0.336 1.00 0.34 C ATOM 1658 CE3 TRP A 107 -2.663 0.502 -1.274 1.00 62.04 C ATOM 1659 CZ2 TRP A 107 -0.016 1.433 -1.601 1.00 50.43 C ATOM 1660 CZ3 TRP A 107 -2.117 0.685 -2.524 1.00 13.43 C ATOM 1661 CH2 TRP A 107 -0.802 1.146 -2.680 1.00 51.53 C ATOM 0 H TRP A 107 -5.375 -0.461 3.523 1.00 4.24 H new ATOM 0 HA TRP A 107 -2.401 -0.496 3.673 1.00 63.33 H new ATOM 0 HB2 TRP A 107 -3.731 -0.659 1.454 1.00 14.20 H new ATOM 0 HB3 TRP A 107 -4.176 1.013 1.732 1.00 14.20 H new ATOM 0 HD1 TRP A 107 -0.792 1.203 2.922 1.00 72.45 H new ATOM 0 HE1 TRP A 107 0.919 1.787 1.084 1.00 14.24 H new ATOM 0 HE3 TRP A 107 -3.676 0.144 -1.164 1.00 62.04 H new ATOM 0 HZ2 TRP A 107 0.997 1.788 -1.724 1.00 50.43 H new ATOM 0 HZ3 TRP A 107 -2.711 0.470 -3.400 1.00 13.43 H new ATOM 0 HH2 TRP A 107 -0.402 1.277 -3.675 1.00 51.53 H new ATOM 1672 N THR A 108 -2.248 1.602 5.002 1.00 62.00 N ATOM 1673 CA THR A 108 -2.077 2.784 5.874 1.00 0.41 C ATOM 1674 C THR A 108 -0.938 3.682 5.325 1.00 14.43 C ATOM 1675 O THR A 108 0.071 3.161 4.859 1.00 1.13 O ATOM 1676 CB THR A 108 -1.738 2.314 7.338 1.00 23.34 C ATOM 1677 OG1 THR A 108 -2.726 1.358 7.785 1.00 14.23 O ATOM 1678 CG2 THR A 108 -1.674 3.482 8.341 1.00 52.04 C ATOM 0 H THR A 108 -1.454 0.963 5.034 1.00 62.00 H new ATOM 0 HA THR A 108 -3.002 3.360 5.889 1.00 0.41 H new ATOM 0 HB THR A 108 -0.749 1.858 7.303 1.00 23.34 H new ATOM 0 HG1 THR A 108 -2.511 1.067 8.696 1.00 14.23 H new ATOM 0 HG21 THR A 108 -1.437 3.097 9.333 1.00 52.04 H new ATOM 0 HG22 THR A 108 -0.902 4.186 8.031 1.00 52.04 H new ATOM 0 HG23 THR A 108 -2.638 3.990 8.370 1.00 52.04 H new ATOM 1686 N ALA A 109 -1.115 5.021 5.356 1.00 3.51 N ATOM 1687 CA ALA A 109 -0.065 5.991 4.947 1.00 12.25 C ATOM 1688 C ALA A 109 -0.136 7.290 5.784 1.00 14.23 C ATOM 1689 O ALA A 109 -1.036 8.104 5.607 1.00 45.14 O ATOM 1690 CB ALA A 109 -0.176 6.312 3.445 1.00 30.31 C ATOM 0 H ALA A 109 -1.982 5.462 5.662 1.00 3.51 H new ATOM 0 HA ALA A 109 0.903 5.526 5.134 1.00 12.25 H new ATOM 0 HB1 ALA A 109 0.601 7.024 3.167 1.00 30.31 H new ATOM 0 HB2 ALA A 109 -0.053 5.396 2.867 1.00 30.31 H new ATOM 0 HB3 ALA A 109 -1.155 6.744 3.237 1.00 30.31 H new ATOM 1696 N MET A 110 0.849 7.480 6.665 1.00 51.04 N ATOM 1697 CA MET A 110 0.969 8.670 7.540 1.00 43.42 C ATOM 1698 C MET A 110 2.238 9.474 7.183 1.00 53.34 C ATOM 1699 O MET A 110 3.314 8.908 6.996 1.00 43.52 O ATOM 1700 CB MET A 110 0.951 8.282 9.049 1.00 72.11 C ATOM 1701 CG MET A 110 1.829 7.087 9.454 1.00 42.11 C ATOM 1702 SD MET A 110 1.160 5.517 8.856 1.00 21.44 S ATOM 1703 CE MET A 110 2.228 4.327 9.661 1.00 40.50 C ATOM 0 H MET A 110 1.603 6.806 6.800 1.00 51.04 H new ATOM 0 HA MET A 110 0.099 9.303 7.365 1.00 43.42 H new ATOM 0 HB2 MET A 110 1.265 9.150 9.629 1.00 72.11 H new ATOM 0 HB3 MET A 110 -0.078 8.063 9.334 1.00 72.11 H new ATOM 0 HG2 MET A 110 2.835 7.226 9.058 1.00 42.11 H new ATOM 0 HG3 MET A 110 1.916 7.053 10.540 1.00 42.11 H new ATOM 0 HE1 MET A 110 1.642 3.461 9.968 1.00 40.50 H new ATOM 0 HE2 MET A 110 3.008 4.011 8.968 1.00 40.50 H new ATOM 0 HE3 MET A 110 2.686 4.784 10.538 1.00 40.50 H new ATOM 1713 N PHE A 111 2.092 10.801 7.103 1.00 22.14 N ATOM 1714 CA PHE A 111 3.152 11.714 6.624 1.00 51.52 C ATOM 1715 C PHE A 111 3.053 13.094 7.307 1.00 4.20 C ATOM 1716 O PHE A 111 1.954 13.578 7.593 1.00 33.23 O ATOM 1717 CB PHE A 111 3.097 11.834 5.066 1.00 12.33 C ATOM 1718 CG PHE A 111 1.685 11.953 4.471 1.00 4.51 C ATOM 1719 CD1 PHE A 111 0.958 13.139 4.565 1.00 31.44 C ATOM 1720 CD2 PHE A 111 1.085 10.868 3.824 1.00 40.30 C ATOM 1721 CE1 PHE A 111 -0.312 13.239 4.036 1.00 31.13 C ATOM 1722 CE2 PHE A 111 -0.186 10.970 3.297 1.00 65.43 C ATOM 1723 CZ PHE A 111 -0.883 12.156 3.401 1.00 64.21 C ATOM 0 H PHE A 111 1.232 11.281 7.369 1.00 22.14 H new ATOM 0 HA PHE A 111 4.120 11.294 6.897 1.00 51.52 H new ATOM 0 HB2 PHE A 111 3.677 12.706 4.764 1.00 12.33 H new ATOM 0 HB3 PHE A 111 3.585 10.961 4.632 1.00 12.33 H new ATOM 0 HD1 PHE A 111 1.396 13.993 5.060 1.00 31.44 H new ATOM 0 HD2 PHE A 111 1.624 9.937 3.736 1.00 40.30 H new ATOM 0 HE1 PHE A 111 -0.860 14.166 4.119 1.00 31.13 H new ATOM 0 HE2 PHE A 111 -0.635 10.121 2.803 1.00 65.43 H new ATOM 0 HZ PHE A 111 -1.876 12.236 2.985 1.00 64.21 H new ATOM 1733 N ASP A 112 4.216 13.724 7.564 1.00 31.24 N ATOM 1734 CA ASP A 112 4.275 15.041 8.230 1.00 51.43 C ATOM 1735 C ASP A 112 4.085 16.168 7.187 1.00 31.44 C ATOM 1736 O ASP A 112 5.047 16.754 6.677 1.00 60.11 O ATOM 1737 CB ASP A 112 5.603 15.176 9.018 1.00 50.43 C ATOM 1738 CG ASP A 112 5.698 16.439 9.891 1.00 34.12 C ATOM 1739 OD1 ASP A 112 4.726 16.749 10.609 1.00 42.41 O ATOM 1740 OD2 ASP A 112 6.758 17.102 9.903 1.00 11.43 O ATOM 0 H ASP A 112 5.129 13.341 7.320 1.00 31.24 H new ATOM 0 HA ASP A 112 3.463 15.130 8.952 1.00 51.43 H new ATOM 0 HB2 ASP A 112 5.725 14.299 9.654 1.00 50.43 H new ATOM 0 HB3 ASP A 112 6.433 15.174 8.311 1.00 50.43 H new ATOM 1745 N CYS A 113 2.812 16.390 6.826 1.00 64.11 N ATOM 1746 CA CYS A 113 2.399 17.406 5.832 1.00 2.50 C ATOM 1747 C CYS A 113 1.675 18.591 6.508 1.00 5.03 C ATOM 1748 O CYS A 113 1.258 18.503 7.665 1.00 20.31 O ATOM 1749 CB CYS A 113 1.476 16.746 4.788 1.00 35.24 C ATOM 1750 SG CYS A 113 0.933 17.843 3.456 1.00 21.13 S ATOM 0 H CYS A 113 2.029 15.867 7.217 1.00 64.11 H new ATOM 0 HA CYS A 113 3.291 17.799 5.343 1.00 2.50 H new ATOM 0 HB2 CYS A 113 1.997 15.895 4.349 1.00 35.24 H new ATOM 0 HB3 CYS A 113 0.596 16.353 5.298 1.00 35.24 H new ATOM 0 HG CYS A 113 1.948 18.144 2.701 1.00 21.13 H new ATOM 1756 N SER A 114 1.541 19.704 5.772 1.00 3.44 N ATOM 1757 CA SER A 114 0.839 20.920 6.253 1.00 62.44 C ATOM 1758 C SER A 114 -0.698 20.772 6.042 1.00 10.02 C ATOM 1759 O SER A 114 -1.104 20.307 4.977 1.00 43.34 O ATOM 1760 CB SER A 114 1.390 22.156 5.510 1.00 63.05 C ATOM 1761 OG SER A 114 0.910 23.367 6.076 1.00 51.43 O ATOM 0 H SER A 114 1.913 19.794 4.827 1.00 3.44 H new ATOM 0 HA SER A 114 1.016 21.049 7.321 1.00 62.44 H new ATOM 0 HB2 SER A 114 2.479 22.145 5.544 1.00 63.05 H new ATOM 0 HB3 SER A 114 1.103 22.107 4.460 1.00 63.05 H new ATOM 0 HG SER A 114 1.280 24.128 5.582 1.00 51.43 H new ATOM 1767 N PRO A 115 -1.569 21.184 7.044 1.00 4.31 N ATOM 1768 CA PRO A 115 -3.051 20.884 7.071 1.00 12.24 C ATOM 1769 C PRO A 115 -3.819 21.082 5.724 1.00 4.42 C ATOM 1770 O PRO A 115 -4.568 20.188 5.302 1.00 3.11 O ATOM 1771 CB PRO A 115 -3.600 21.843 8.185 1.00 44.02 C ATOM 1772 CG PRO A 115 -2.453 22.758 8.528 1.00 22.01 C ATOM 1773 CD PRO A 115 -1.196 21.966 8.254 1.00 50.11 C ATOM 0 HA PRO A 115 -3.208 19.823 7.263 1.00 12.24 H new ATOM 0 HB2 PRO A 115 -4.460 22.409 7.827 1.00 44.02 H new ATOM 0 HB3 PRO A 115 -3.929 21.281 9.059 1.00 44.02 H new ATOM 0 HG2 PRO A 115 -2.483 23.665 7.924 1.00 22.01 H new ATOM 0 HG3 PRO A 115 -2.499 23.068 9.572 1.00 22.01 H new ATOM 0 HD2 PRO A 115 -0.339 22.614 8.071 1.00 50.11 H new ATOM 0 HD3 PRO A 115 -0.933 21.319 9.091 1.00 50.11 H new ATOM 1781 N GLU A 116 -3.627 22.246 5.061 1.00 4.35 N ATOM 1782 CA GLU A 116 -4.323 22.579 3.778 1.00 51.03 C ATOM 1783 C GLU A 116 -3.939 21.620 2.617 1.00 72.10 C ATOM 1784 O GLU A 116 -4.753 21.351 1.724 1.00 32.23 O ATOM 1785 CB GLU A 116 -4.030 24.045 3.369 1.00 40.43 C ATOM 1786 CG GLU A 116 -4.567 25.108 4.344 1.00 23.52 C ATOM 1787 CD GLU A 116 -4.216 26.541 3.908 1.00 63.34 C ATOM 1788 OE1 GLU A 116 -4.939 27.109 3.056 1.00 53.24 O ATOM 1789 OE2 GLU A 116 -3.206 27.098 4.397 1.00 44.53 O ATOM 0 H GLU A 116 -2.996 22.978 5.388 1.00 4.35 H new ATOM 0 HA GLU A 116 -5.390 22.453 3.960 1.00 51.03 H new ATOM 0 HB2 GLU A 116 -2.952 24.172 3.274 1.00 40.43 H new ATOM 0 HB3 GLU A 116 -4.461 24.225 2.384 1.00 40.43 H new ATOM 0 HG2 GLU A 116 -5.650 25.011 4.422 1.00 23.52 H new ATOM 0 HG3 GLU A 116 -4.158 24.924 5.338 1.00 23.52 H new ATOM 1796 N THR A 117 -2.692 21.126 2.629 1.00 74.10 N ATOM 1797 CA THR A 117 -2.218 20.117 1.652 1.00 44.44 C ATOM 1798 C THR A 117 -2.630 18.691 2.089 1.00 11.22 C ATOM 1799 O THR A 117 -2.956 17.852 1.252 1.00 2.01 O ATOM 1800 CB THR A 117 -0.661 20.191 1.466 1.00 44.02 C ATOM 1801 OG1 THR A 117 -0.278 21.526 1.090 1.00 42.45 O ATOM 1802 CG2 THR A 117 -0.138 19.210 0.397 1.00 64.54 C ATOM 0 H THR A 117 -1.984 21.407 3.307 1.00 74.10 H new ATOM 0 HA THR A 117 -2.690 20.342 0.695 1.00 44.44 H new ATOM 0 HB THR A 117 -0.219 19.911 2.422 1.00 44.02 H new ATOM 0 HG1 THR A 117 0.695 21.568 0.977 1.00 42.45 H new ATOM 0 HG21 THR A 117 0.944 19.307 0.313 1.00 64.54 H new ATOM 0 HG22 THR A 117 -0.390 18.189 0.685 1.00 64.54 H new ATOM 0 HG23 THR A 117 -0.598 19.440 -0.564 1.00 64.54 H new ATOM 1810 N ALA A 118 -2.668 18.450 3.416 1.00 44.31 N ATOM 1811 CA ALA A 118 -2.920 17.107 3.998 1.00 4.43 C ATOM 1812 C ALA A 118 -4.364 16.621 3.717 1.00 54.11 C ATOM 1813 O ALA A 118 -4.577 15.447 3.396 1.00 72.52 O ATOM 1814 CB ALA A 118 -2.634 17.127 5.510 1.00 61.33 C ATOM 0 H ALA A 118 -2.526 19.177 4.117 1.00 44.31 H new ATOM 0 HA ALA A 118 -2.244 16.399 3.518 1.00 4.43 H new ATOM 0 HB1 ALA A 118 -2.821 16.138 5.929 1.00 61.33 H new ATOM 0 HB2 ALA A 118 -1.593 17.402 5.680 1.00 61.33 H new ATOM 0 HB3 ALA A 118 -3.285 17.855 5.994 1.00 61.33 H new ATOM 1820 N ARG A 119 -5.346 17.551 3.821 1.00 23.24 N ATOM 1821 CA ARG A 119 -6.769 17.276 3.477 1.00 51.21 C ATOM 1822 C ARG A 119 -6.937 16.880 1.989 1.00 42.41 C ATOM 1823 O ARG A 119 -7.755 16.017 1.652 1.00 54.31 O ATOM 1824 CB ARG A 119 -7.677 18.493 3.818 1.00 0.22 C ATOM 1825 CG ARG A 119 -7.248 19.829 3.164 1.00 3.54 C ATOM 1826 CD ARG A 119 -8.299 20.949 3.318 1.00 44.05 C ATOM 1827 NE ARG A 119 -9.514 20.683 2.519 1.00 33.11 N ATOM 1828 CZ ARG A 119 -10.663 21.320 2.629 1.00 4.24 C ATOM 1829 NH1 ARG A 119 -10.857 22.232 3.534 1.00 31.24 N ATOM 1830 NH2 ARG A 119 -11.625 21.024 1.818 1.00 4.21 N ATOM 0 H ARG A 119 -5.179 18.505 4.142 1.00 23.24 H new ATOM 0 HA ARG A 119 -7.083 16.428 4.086 1.00 51.21 H new ATOM 0 HB2 ARG A 119 -8.697 18.265 3.509 1.00 0.22 H new ATOM 0 HB3 ARG A 119 -7.694 18.624 4.900 1.00 0.22 H new ATOM 0 HG2 ARG A 119 -6.309 20.158 3.608 1.00 3.54 H new ATOM 0 HG3 ARG A 119 -7.058 19.662 2.104 1.00 3.54 H new ATOM 0 HD2 ARG A 119 -8.571 21.049 4.369 1.00 44.05 H new ATOM 0 HD3 ARG A 119 -7.864 21.900 3.010 1.00 44.05 H new ATOM 0 HE ARG A 119 -9.458 19.941 1.821 1.00 33.11 H new ATOM 0 HH11 ARG A 119 -10.109 22.472 4.184 1.00 31.24 H new ATOM 0 HH12 ARG A 119 -11.757 22.707 3.594 1.00 31.24 H new ATOM 0 HH21 ARG A 119 -11.489 20.307 1.106 1.00 4.21 H new ATOM 0 HH22 ARG A 119 -12.520 21.508 1.890 1.00 4.21 H new ATOM 1844 N GLU A 120 -6.136 17.513 1.120 1.00 50.03 N ATOM 1845 CA GLU A 120 -6.107 17.222 -0.326 1.00 4.15 C ATOM 1846 C GLU A 120 -5.518 15.813 -0.592 1.00 74.10 C ATOM 1847 O GLU A 120 -6.060 15.040 -1.386 1.00 44.32 O ATOM 1848 CB GLU A 120 -5.274 18.310 -1.054 1.00 53.31 C ATOM 1849 CG GLU A 120 -5.121 18.110 -2.574 1.00 30.54 C ATOM 1850 CD GLU A 120 -4.299 19.221 -3.243 1.00 64.12 C ATOM 1851 OE1 GLU A 120 -3.050 19.135 -3.237 1.00 33.12 O ATOM 1852 OE2 GLU A 120 -4.892 20.189 -3.770 1.00 41.41 O ATOM 0 H GLU A 120 -5.485 18.247 1.400 1.00 50.03 H new ATOM 0 HA GLU A 120 -7.126 17.234 -0.712 1.00 4.15 H new ATOM 0 HB2 GLU A 120 -5.738 19.280 -0.876 1.00 53.31 H new ATOM 0 HB3 GLU A 120 -4.281 18.345 -0.606 1.00 53.31 H new ATOM 0 HG2 GLU A 120 -4.644 17.148 -2.763 1.00 30.54 H new ATOM 0 HG3 GLU A 120 -6.110 18.071 -3.032 1.00 30.54 H new ATOM 1859 N LEU A 121 -4.439 15.478 0.143 1.00 54.10 N ATOM 1860 CA LEU A 121 -3.710 14.199 -0.011 1.00 22.54 C ATOM 1861 C LEU A 121 -4.551 12.989 0.471 1.00 34.22 C ATOM 1862 O LEU A 121 -4.326 11.867 0.022 1.00 2.32 O ATOM 1863 CB LEU A 121 -2.348 14.262 0.737 1.00 43.13 C ATOM 1864 CG LEU A 121 -1.307 15.295 0.184 1.00 50.13 C ATOM 1865 CD1 LEU A 121 -0.001 15.286 1.012 1.00 71.14 C ATOM 1866 CD2 LEU A 121 -1.016 15.050 -1.312 1.00 43.24 C ATOM 0 H LEU A 121 -4.046 16.086 0.862 1.00 54.10 H new ATOM 0 HA LEU A 121 -3.521 14.052 -1.074 1.00 22.54 H new ATOM 0 HB2 LEU A 121 -2.542 14.496 1.784 1.00 43.13 H new ATOM 0 HB3 LEU A 121 -1.895 13.271 0.711 1.00 43.13 H new ATOM 0 HG LEU A 121 -1.751 16.286 0.281 1.00 50.13 H new ATOM 0 HD11 LEU A 121 0.697 16.015 0.599 1.00 71.14 H new ATOM 0 HD12 LEU A 121 -0.225 15.544 2.047 1.00 71.14 H new ATOM 0 HD13 LEU A 121 0.447 14.293 0.974 1.00 71.14 H new ATOM 0 HD21 LEU A 121 -0.291 15.782 -1.666 1.00 43.24 H new ATOM 0 HD22 LEU A 121 -0.613 14.046 -1.445 1.00 43.24 H new ATOM 0 HD23 LEU A 121 -1.939 15.148 -1.883 1.00 43.24 H new ATOM 1878 N GLU A 122 -5.517 13.229 1.379 1.00 24.32 N ATOM 1879 CA GLU A 122 -6.482 12.190 1.823 1.00 52.23 C ATOM 1880 C GLU A 122 -7.348 11.670 0.650 1.00 25.14 C ATOM 1881 O GLU A 122 -7.611 10.467 0.548 1.00 42.02 O ATOM 1882 CB GLU A 122 -7.371 12.740 2.974 1.00 31.34 C ATOM 1883 CG GLU A 122 -6.594 12.993 4.283 1.00 53.23 C ATOM 1884 CD GLU A 122 -7.435 13.627 5.403 1.00 62.20 C ATOM 1885 OE1 GLU A 122 -8.184 12.904 6.097 1.00 5.32 O ATOM 1886 OE2 GLU A 122 -7.321 14.848 5.635 1.00 12.13 O ATOM 0 H GLU A 122 -5.654 14.136 1.824 1.00 24.32 H new ATOM 0 HA GLU A 122 -5.911 11.340 2.198 1.00 52.23 H new ATOM 0 HB2 GLU A 122 -7.836 13.671 2.651 1.00 31.34 H new ATOM 0 HB3 GLU A 122 -8.177 12.033 3.170 1.00 31.34 H new ATOM 0 HG2 GLU A 122 -6.188 12.046 4.640 1.00 53.23 H new ATOM 0 HG3 GLU A 122 -5.746 13.643 4.069 1.00 53.23 H new ATOM 1893 N SER A 123 -7.801 12.586 -0.220 1.00 61.03 N ATOM 1894 CA SER A 123 -8.535 12.225 -1.458 1.00 10.02 C ATOM 1895 C SER A 123 -7.603 11.699 -2.586 1.00 13.34 C ATOM 1896 O SER A 123 -7.925 10.699 -3.222 1.00 54.33 O ATOM 1897 CB SER A 123 -9.359 13.426 -1.965 1.00 72.30 C ATOM 1898 OG SER A 123 -10.348 13.804 -1.018 1.00 61.30 O ATOM 0 H SER A 123 -7.674 13.590 -0.094 1.00 61.03 H new ATOM 0 HA SER A 123 -9.205 11.407 -1.195 1.00 10.02 H new ATOM 0 HB2 SER A 123 -8.696 14.269 -2.160 1.00 72.30 H new ATOM 0 HB3 SER A 123 -9.836 13.170 -2.911 1.00 72.30 H new ATOM 0 HG SER A 123 -10.855 14.568 -1.362 1.00 61.30 H new ATOM 1904 N VAL A 124 -6.462 12.376 -2.840 1.00 35.41 N ATOM 1905 CA VAL A 124 -5.529 12.003 -3.949 1.00 31.04 C ATOM 1906 C VAL A 124 -4.826 10.635 -3.703 1.00 43.01 C ATOM 1907 O VAL A 124 -4.893 9.724 -4.537 1.00 13.50 O ATOM 1908 CB VAL A 124 -4.439 13.126 -4.165 1.00 44.44 C ATOM 1909 CG1 VAL A 124 -3.440 12.757 -5.297 1.00 1.01 C ATOM 1910 CG2 VAL A 124 -5.106 14.497 -4.446 1.00 21.54 C ATOM 0 H VAL A 124 -6.157 13.184 -2.298 1.00 35.41 H new ATOM 0 HA VAL A 124 -6.139 11.907 -4.847 1.00 31.04 H new ATOM 0 HB VAL A 124 -3.868 13.203 -3.240 1.00 44.44 H new ATOM 0 HG11 VAL A 124 -2.708 13.557 -5.411 1.00 1.01 H new ATOM 0 HG12 VAL A 124 -2.927 11.830 -5.042 1.00 1.01 H new ATOM 0 HG13 VAL A 124 -3.983 12.625 -6.233 1.00 1.01 H new ATOM 0 HG21 VAL A 124 -4.335 15.254 -4.591 1.00 21.54 H new ATOM 0 HG22 VAL A 124 -5.719 14.426 -5.345 1.00 21.54 H new ATOM 0 HG23 VAL A 124 -5.734 14.776 -3.600 1.00 21.54 H new ATOM 1920 N ILE A 125 -4.165 10.511 -2.546 1.00 64.22 N ATOM 1921 CA ILE A 125 -3.435 9.281 -2.153 1.00 44.42 C ATOM 1922 C ILE A 125 -4.426 8.189 -1.675 1.00 12.32 C ATOM 1923 O ILE A 125 -4.373 7.045 -2.134 1.00 63.14 O ATOM 1924 CB ILE A 125 -2.368 9.602 -1.032 1.00 24.04 C ATOM 1925 CG1 ILE A 125 -1.337 10.664 -1.551 1.00 32.40 C ATOM 1926 CG2 ILE A 125 -1.654 8.325 -0.510 1.00 31.44 C ATOM 1927 CD1 ILE A 125 -0.302 11.121 -0.525 1.00 72.13 C ATOM 0 H ILE A 125 -4.116 11.255 -1.850 1.00 64.22 H new ATOM 0 HA ILE A 125 -2.905 8.901 -3.026 1.00 44.42 H new ATOM 0 HB ILE A 125 -2.902 10.023 -0.180 1.00 24.04 H new ATOM 0 HG12 ILE A 125 -0.813 10.248 -2.411 1.00 32.40 H new ATOM 0 HG13 ILE A 125 -1.886 11.537 -1.904 1.00 32.40 H new ATOM 0 HG21 ILE A 125 -0.931 8.600 0.258 1.00 31.44 H new ATOM 0 HG22 ILE A 125 -2.391 7.643 -0.087 1.00 31.44 H new ATOM 0 HG23 ILE A 125 -1.137 7.834 -1.335 1.00 31.44 H new ATOM 0 HD11 ILE A 125 0.363 11.854 -0.981 1.00 72.13 H new ATOM 0 HD12 ILE A 125 -0.809 11.572 0.327 1.00 72.13 H new ATOM 0 HD13 ILE A 125 0.280 10.263 -0.188 1.00 72.13 H new ATOM 1939 N GLY A 126 -5.345 8.574 -0.770 1.00 61.33 N ATOM 1940 CA GLY A 126 -6.336 7.641 -0.215 1.00 21.14 C ATOM 1941 C GLY A 126 -7.430 7.240 -1.215 1.00 2.52 C ATOM 1942 O GLY A 126 -7.362 6.164 -1.817 1.00 55.52 O ATOM 0 H GLY A 126 -5.420 9.525 -0.409 1.00 61.33 H new ATOM 0 HA2 GLY A 126 -5.824 6.743 0.130 1.00 21.14 H new ATOM 0 HA3 GLY A 126 -6.803 8.097 0.658 1.00 21.14 H new ATOM 1946 N ASP A 127 -8.429 8.120 -1.410 1.00 12.12 N ATOM 1947 CA ASP A 127 -9.598 7.856 -2.296 1.00 44.42 C ATOM 1948 C ASP A 127 -9.227 7.774 -3.804 1.00 3.51 C ATOM 1949 O ASP A 127 -10.074 7.432 -4.627 1.00 65.01 O ATOM 1950 CB ASP A 127 -10.685 8.929 -2.056 1.00 50.13 C ATOM 1951 CG ASP A 127 -11.298 8.839 -0.650 1.00 23.44 C ATOM 1952 OD1 ASP A 127 -10.621 9.217 0.331 1.00 60.43 O ATOM 1953 OD2 ASP A 127 -12.450 8.354 -0.511 1.00 45.41 O ATOM 0 H ASP A 127 -8.457 9.036 -0.962 1.00 12.12 H new ATOM 0 HA ASP A 127 -9.983 6.871 -2.031 1.00 44.42 H new ATOM 0 HB2 ASP A 127 -10.252 9.919 -2.198 1.00 50.13 H new ATOM 0 HB3 ASP A 127 -11.473 8.817 -2.801 1.00 50.13 H new ATOM 1958 N GLY A 128 -7.971 8.093 -4.153 1.00 3.44 N ATOM 1959 CA GLY A 128 -7.454 7.884 -5.510 1.00 41.22 C ATOM 1960 C GLY A 128 -6.642 6.587 -5.625 1.00 43.42 C ATOM 1961 O GLY A 128 -7.191 5.539 -5.974 1.00 12.25 O ATOM 0 H GLY A 128 -7.293 8.499 -3.508 1.00 3.44 H new ATOM 0 HA2 GLY A 128 -8.286 7.854 -6.214 1.00 41.22 H new ATOM 0 HA3 GLY A 128 -6.827 8.730 -5.793 1.00 41.22 H new ATOM 1965 N VAL A 129 -5.350 6.662 -5.248 1.00 53.24 N ATOM 1966 CA VAL A 129 -4.359 5.564 -5.440 1.00 63.44 C ATOM 1967 C VAL A 129 -4.774 4.231 -4.750 1.00 62.25 C ATOM 1968 O VAL A 129 -4.711 3.152 -5.365 1.00 43.05 O ATOM 1969 CB VAL A 129 -2.934 6.014 -4.925 1.00 52.44 C ATOM 1970 CG1 VAL A 129 -1.861 4.911 -5.124 1.00 65.05 C ATOM 1971 CG2 VAL A 129 -2.494 7.342 -5.595 1.00 11.35 C ATOM 0 H VAL A 129 -4.954 7.488 -4.798 1.00 53.24 H new ATOM 0 HA VAL A 129 -4.324 5.367 -6.512 1.00 63.44 H new ATOM 0 HB VAL A 129 -3.023 6.183 -3.852 1.00 52.44 H new ATOM 0 HG11 VAL A 129 -0.900 5.268 -4.755 1.00 65.05 H new ATOM 0 HG12 VAL A 129 -2.152 4.017 -4.573 1.00 65.05 H new ATOM 0 HG13 VAL A 129 -1.777 4.672 -6.184 1.00 65.05 H new ATOM 0 HG21 VAL A 129 -1.510 7.629 -5.223 1.00 11.35 H new ATOM 0 HG22 VAL A 129 -2.448 7.207 -6.676 1.00 11.35 H new ATOM 0 HG23 VAL A 129 -3.214 8.125 -5.358 1.00 11.35 H new ATOM 1981 N PHE A 130 -5.211 4.321 -3.481 1.00 52.24 N ATOM 1982 CA PHE A 130 -5.561 3.130 -2.662 1.00 65.31 C ATOM 1983 C PHE A 130 -6.943 2.571 -3.053 1.00 33.34 C ATOM 1984 O PHE A 130 -7.092 1.371 -3.275 1.00 60.45 O ATOM 1985 CB PHE A 130 -5.563 3.466 -1.137 1.00 53.14 C ATOM 1986 CG PHE A 130 -4.242 3.927 -0.507 1.00 45.04 C ATOM 1987 CD1 PHE A 130 -3.100 4.185 -1.268 1.00 23.42 C ATOM 1988 CD2 PHE A 130 -4.160 4.103 0.876 1.00 4.12 C ATOM 1989 CE1 PHE A 130 -1.929 4.599 -0.670 1.00 32.43 C ATOM 1990 CE2 PHE A 130 -2.984 4.518 1.472 1.00 2.32 C ATOM 1991 CZ PHE A 130 -1.871 4.765 0.699 1.00 51.11 C ATOM 0 H PHE A 130 -5.333 5.208 -2.992 1.00 52.24 H new ATOM 0 HA PHE A 130 -4.798 2.378 -2.860 1.00 65.31 H new ATOM 0 HB2 PHE A 130 -6.306 4.245 -0.966 1.00 53.14 H new ATOM 0 HB3 PHE A 130 -5.900 2.580 -0.599 1.00 53.14 H new ATOM 0 HD1 PHE A 130 -3.135 4.058 -2.340 1.00 23.42 H new ATOM 0 HD2 PHE A 130 -5.028 3.912 1.489 1.00 4.12 H new ATOM 0 HE1 PHE A 130 -1.055 4.794 -1.274 1.00 32.43 H new ATOM 0 HE2 PHE A 130 -2.938 4.649 2.543 1.00 2.32 H new ATOM 0 HZ PHE A 130 -0.952 5.089 1.165 1.00 51.11 H new ATOM 2001 N ALA A 131 -7.949 3.462 -3.124 1.00 21.31 N ATOM 2002 CA ALA A 131 -9.342 3.088 -3.474 1.00 32.53 C ATOM 2003 C ALA A 131 -9.472 2.499 -4.900 1.00 70.00 C ATOM 2004 O ALA A 131 -10.504 1.934 -5.252 1.00 45.23 O ATOM 2005 CB ALA A 131 -10.255 4.304 -3.302 1.00 73.23 C ATOM 0 H ALA A 131 -7.826 4.458 -2.942 1.00 21.31 H new ATOM 0 HA ALA A 131 -9.649 2.295 -2.792 1.00 32.53 H new ATOM 0 HB1 ALA A 131 -11.278 4.030 -3.559 1.00 73.23 H new ATOM 0 HB2 ALA A 131 -10.219 4.642 -2.266 1.00 73.23 H new ATOM 0 HB3 ALA A 131 -9.919 5.107 -3.958 1.00 73.23 H new ATOM 2011 N VAL A 132 -8.459 2.717 -5.741 1.00 61.32 N ATOM 2012 CA VAL A 132 -8.309 1.994 -7.015 1.00 64.24 C ATOM 2013 C VAL A 132 -7.577 0.633 -6.813 1.00 14.11 C ATOM 2014 O VAL A 132 -8.109 -0.419 -7.179 1.00 74.12 O ATOM 2015 CB VAL A 132 -7.550 2.889 -8.062 1.00 34.31 C ATOM 2016 CG1 VAL A 132 -7.027 2.067 -9.253 1.00 20.10 C ATOM 2017 CG2 VAL A 132 -8.442 4.056 -8.554 1.00 61.41 C ATOM 0 H VAL A 132 -7.719 3.396 -5.563 1.00 61.32 H new ATOM 0 HA VAL A 132 -9.305 1.775 -7.400 1.00 64.24 H new ATOM 0 HB VAL A 132 -6.685 3.310 -7.549 1.00 34.31 H new ATOM 0 HG11 VAL A 132 -6.510 2.726 -9.951 1.00 20.10 H new ATOM 0 HG12 VAL A 132 -6.336 1.305 -8.893 1.00 20.10 H new ATOM 0 HG13 VAL A 132 -7.864 1.587 -9.760 1.00 20.10 H new ATOM 0 HG21 VAL A 132 -7.890 4.657 -9.277 1.00 61.41 H new ATOM 0 HG22 VAL A 132 -9.339 3.655 -9.026 1.00 61.41 H new ATOM 0 HG23 VAL A 132 -8.726 4.679 -7.706 1.00 61.41 H new ATOM 2027 N GLY A 133 -6.365 0.681 -6.214 1.00 42.22 N ATOM 2028 CA GLY A 133 -5.469 -0.492 -6.130 1.00 62.23 C ATOM 2029 C GLY A 133 -6.027 -1.663 -5.306 1.00 51.20 C ATOM 2030 O GLY A 133 -6.096 -2.801 -5.792 1.00 35.43 O ATOM 0 H GLY A 133 -5.986 1.523 -5.781 1.00 42.22 H new ATOM 0 HA2 GLY A 133 -5.256 -0.844 -7.140 1.00 62.23 H new ATOM 0 HA3 GLY A 133 -4.520 -0.178 -5.695 1.00 62.23 H new ATOM 2034 N LEU A 134 -6.428 -1.363 -4.057 1.00 33.32 N ATOM 2035 CA LEU A 134 -7.039 -2.338 -3.116 1.00 43.33 C ATOM 2036 C LEU A 134 -8.312 -3.006 -3.709 1.00 60.01 C ATOM 2037 O LEU A 134 -8.529 -4.215 -3.565 1.00 33.24 O ATOM 2038 CB LEU A 134 -7.409 -1.614 -1.788 1.00 42.40 C ATOM 2039 CG LEU A 134 -6.227 -1.077 -0.925 1.00 14.10 C ATOM 2040 CD1 LEU A 134 -6.752 -0.318 0.318 1.00 53.40 C ATOM 2041 CD2 LEU A 134 -5.262 -2.220 -0.522 1.00 2.35 C ATOM 0 H LEU A 134 -6.339 -0.427 -3.662 1.00 33.32 H new ATOM 0 HA LEU A 134 -6.306 -3.124 -2.932 1.00 43.33 H new ATOM 0 HB2 LEU A 134 -8.061 -0.775 -2.029 1.00 42.40 H new ATOM 0 HB3 LEU A 134 -7.990 -2.304 -1.176 1.00 42.40 H new ATOM 0 HG LEU A 134 -5.661 -0.371 -1.533 1.00 14.10 H new ATOM 0 HD11 LEU A 134 -5.909 0.047 0.904 1.00 53.40 H new ATOM 0 HD12 LEU A 134 -7.364 0.525 -0.002 1.00 53.40 H new ATOM 0 HD13 LEU A 134 -7.354 -0.991 0.928 1.00 53.40 H new ATOM 0 HD21 LEU A 134 -4.448 -1.814 0.079 1.00 2.35 H new ATOM 0 HD22 LEU A 134 -5.804 -2.966 0.058 1.00 2.35 H new ATOM 0 HD23 LEU A 134 -4.853 -2.685 -1.419 1.00 2.35 H new ATOM 2053 N ASN A 135 -9.134 -2.184 -4.374 1.00 41.43 N ATOM 2054 CA ASN A 135 -10.445 -2.603 -4.915 1.00 54.00 C ATOM 2055 C ASN A 135 -10.295 -3.481 -6.177 1.00 21.54 C ATOM 2056 O ASN A 135 -11.027 -4.464 -6.340 1.00 62.14 O ATOM 2057 CB ASN A 135 -11.310 -1.353 -5.198 1.00 15.44 C ATOM 2058 CG ASN A 135 -11.610 -0.529 -3.937 1.00 71.43 C ATOM 2059 OD1 ASN A 135 -10.856 -0.521 -2.965 1.00 34.23 O ATOM 2060 ND2 ASN A 135 -12.697 0.204 -3.958 1.00 72.51 N ATOM 0 H ASN A 135 -8.913 -1.205 -4.556 1.00 41.43 H new ATOM 0 HA ASN A 135 -10.945 -3.220 -4.168 1.00 54.00 H new ATOM 0 HB2 ASN A 135 -10.798 -0.721 -5.924 1.00 15.44 H new ATOM 0 HB3 ASN A 135 -12.250 -1.665 -5.653 1.00 15.44 H new ATOM 0 HD21 ASN A 135 -12.930 0.794 -3.159 1.00 72.51 H new ATOM 0 HD22 ASN A 135 -13.310 0.184 -4.773 1.00 72.51 H new ATOM 2067 N ALA A 136 -9.329 -3.128 -7.050 1.00 21.41 N ATOM 2068 CA ALA A 136 -8.979 -3.930 -8.252 1.00 54.22 C ATOM 2069 C ALA A 136 -8.437 -5.322 -7.851 1.00 64.35 C ATOM 2070 O ALA A 136 -8.650 -6.321 -8.551 1.00 73.02 O ATOM 2071 CB ALA A 136 -7.955 -3.171 -9.117 1.00 33.24 C ATOM 0 H ALA A 136 -8.768 -2.282 -6.947 1.00 21.41 H new ATOM 0 HA ALA A 136 -9.884 -4.083 -8.840 1.00 54.22 H new ATOM 0 HB1 ALA A 136 -7.706 -3.768 -9.994 1.00 33.24 H new ATOM 0 HB2 ALA A 136 -8.381 -2.219 -9.435 1.00 33.24 H new ATOM 0 HB3 ALA A 136 -7.052 -2.988 -8.535 1.00 33.24 H new ATOM 2077 N LEU A 137 -7.732 -5.362 -6.706 1.00 33.41 N ATOM 2078 CA LEU A 137 -7.257 -6.610 -6.078 1.00 52.24 C ATOM 2079 C LEU A 137 -8.460 -7.473 -5.597 1.00 13.14 C ATOM 2080 O LEU A 137 -8.487 -8.691 -5.798 1.00 34.43 O ATOM 2081 CB LEU A 137 -6.269 -6.250 -4.928 1.00 53.41 C ATOM 2082 CG LEU A 137 -5.533 -7.431 -4.197 1.00 35.12 C ATOM 2083 CD1 LEU A 137 -4.222 -6.956 -3.559 1.00 31.23 C ATOM 2084 CD2 LEU A 137 -6.405 -8.099 -3.118 1.00 3.01 C ATOM 0 H LEU A 137 -7.474 -4.523 -6.186 1.00 33.41 H new ATOM 0 HA LEU A 137 -6.719 -7.220 -6.804 1.00 52.24 H new ATOM 0 HB2 LEU A 137 -5.509 -5.583 -5.336 1.00 53.41 H new ATOM 0 HB3 LEU A 137 -6.821 -5.684 -4.178 1.00 53.41 H new ATOM 0 HG LEU A 137 -5.321 -8.172 -4.967 1.00 35.12 H new ATOM 0 HD11 LEU A 137 -3.735 -7.794 -3.061 1.00 31.23 H new ATOM 0 HD12 LEU A 137 -3.563 -6.561 -4.332 1.00 31.23 H new ATOM 0 HD13 LEU A 137 -4.435 -6.174 -2.830 1.00 31.23 H new ATOM 0 HD21 LEU A 137 -5.845 -8.907 -2.647 1.00 3.01 H new ATOM 0 HD22 LEU A 137 -6.681 -7.361 -2.365 1.00 3.01 H new ATOM 0 HD23 LEU A 137 -7.307 -8.502 -3.578 1.00 3.01 H new ATOM 2096 N ALA A 138 -9.456 -6.822 -4.976 1.00 55.41 N ATOM 2097 CA ALA A 138 -10.697 -7.497 -4.515 1.00 34.32 C ATOM 2098 C ALA A 138 -11.531 -8.057 -5.709 1.00 71.43 C ATOM 2099 O ALA A 138 -12.269 -9.037 -5.558 1.00 32.23 O ATOM 2100 CB ALA A 138 -11.530 -6.524 -3.670 1.00 55.22 C ATOM 0 H ALA A 138 -9.433 -5.822 -4.777 1.00 55.41 H new ATOM 0 HA ALA A 138 -10.413 -8.351 -3.900 1.00 34.32 H new ATOM 0 HB1 ALA A 138 -12.440 -7.021 -3.333 1.00 55.22 H new ATOM 0 HB2 ALA A 138 -10.949 -6.205 -2.805 1.00 55.22 H new ATOM 0 HB3 ALA A 138 -11.794 -5.654 -4.271 1.00 55.22 H new ATOM 2106 N GLU A 139 -11.390 -7.418 -6.892 1.00 54.43 N ATOM 2107 CA GLU A 139 -12.065 -7.838 -8.148 1.00 2.34 C ATOM 2108 C GLU A 139 -11.413 -9.098 -8.781 1.00 4.11 C ATOM 2109 O GLU A 139 -12.124 -9.980 -9.276 1.00 41.35 O ATOM 2110 CB GLU A 139 -12.071 -6.656 -9.158 1.00 13.42 C ATOM 2111 CG GLU A 139 -12.975 -5.472 -8.740 1.00 61.02 C ATOM 2112 CD GLU A 139 -12.753 -4.189 -9.557 1.00 31.02 C ATOM 2113 OE1 GLU A 139 -13.019 -4.198 -10.780 1.00 31.44 O ATOM 2114 OE2 GLU A 139 -12.314 -3.163 -8.984 1.00 14.10 O ATOM 0 H GLU A 139 -10.803 -6.592 -7.006 1.00 54.43 H new ATOM 0 HA GLU A 139 -13.090 -8.111 -7.898 1.00 2.34 H new ATOM 0 HB2 GLU A 139 -11.051 -6.294 -9.283 1.00 13.42 H new ATOM 0 HB3 GLU A 139 -12.399 -7.024 -10.130 1.00 13.42 H new ATOM 0 HG2 GLU A 139 -14.018 -5.774 -8.836 1.00 61.02 H new ATOM 0 HG3 GLU A 139 -12.803 -5.253 -7.686 1.00 61.02 H new ATOM 2121 N ARG A 140 -10.066 -9.189 -8.759 1.00 22.21 N ATOM 2122 CA ARG A 140 -9.339 -10.368 -9.327 1.00 20.44 C ATOM 2123 C ARG A 140 -9.458 -11.631 -8.436 1.00 22.24 C ATOM 2124 O ARG A 140 -9.295 -12.751 -8.923 1.00 55.24 O ATOM 2125 CB ARG A 140 -7.853 -10.035 -9.631 1.00 44.44 C ATOM 2126 CG ARG A 140 -7.059 -9.458 -8.451 1.00 25.12 C ATOM 2127 CD ARG A 140 -5.580 -9.171 -8.786 1.00 62.52 C ATOM 2128 NE ARG A 140 -5.406 -8.494 -10.096 1.00 33.54 N ATOM 2129 CZ ARG A 140 -5.400 -7.187 -10.298 1.00 64.52 C ATOM 2130 NH1 ARG A 140 -5.653 -6.355 -9.331 1.00 62.14 N ATOM 2131 NH2 ARG A 140 -5.161 -6.721 -11.481 1.00 72.04 N ATOM 0 H ARG A 140 -9.457 -8.474 -8.361 1.00 22.21 H new ATOM 0 HA ARG A 140 -9.830 -10.601 -10.272 1.00 20.44 H new ATOM 0 HB2 ARG A 140 -7.356 -10.943 -9.973 1.00 44.44 H new ATOM 0 HB3 ARG A 140 -7.818 -9.322 -10.455 1.00 44.44 H new ATOM 0 HG2 ARG A 140 -7.534 -8.534 -8.120 1.00 25.12 H new ATOM 0 HG3 ARG A 140 -7.105 -10.157 -7.616 1.00 25.12 H new ATOM 0 HD2 ARG A 140 -5.149 -8.549 -8.001 1.00 62.52 H new ATOM 0 HD3 ARG A 140 -5.025 -10.109 -8.791 1.00 62.52 H new ATOM 0 HE ARG A 140 -5.280 -9.091 -10.914 1.00 33.54 H new ATOM 0 HH11 ARG A 140 -5.861 -6.707 -8.397 1.00 62.14 H new ATOM 0 HH12 ARG A 140 -5.643 -5.350 -9.507 1.00 62.14 H new ATOM 0 HH21 ARG A 140 -4.978 -7.361 -12.254 1.00 72.04 H new ATOM 0 HH22 ARG A 140 -5.156 -5.714 -11.641 1.00 72.04 H new ATOM 2145 N TYR A 141 -9.735 -11.452 -7.128 1.00 3.44 N ATOM 2146 CA TYR A 141 -10.127 -12.575 -6.230 1.00 44.11 C ATOM 2147 C TYR A 141 -11.667 -12.772 -6.215 1.00 20.32 C ATOM 2148 O TYR A 141 -12.176 -13.704 -5.584 1.00 1.03 O ATOM 2149 CB TYR A 141 -9.593 -12.346 -4.800 1.00 12.30 C ATOM 2150 CG TYR A 141 -8.062 -12.444 -4.670 1.00 72.03 C ATOM 2151 CD1 TYR A 141 -7.413 -13.684 -4.683 1.00 31.02 C ATOM 2152 CD2 TYR A 141 -7.275 -11.311 -4.502 1.00 55.55 C ATOM 2153 CE1 TYR A 141 -6.042 -13.776 -4.534 1.00 5.03 C ATOM 2154 CE2 TYR A 141 -5.913 -11.400 -4.358 1.00 25.24 C ATOM 2155 CZ TYR A 141 -5.295 -12.630 -4.368 1.00 72.45 C ATOM 2156 OH TYR A 141 -3.928 -12.709 -4.219 1.00 21.30 O ATOM 0 H TYR A 141 -9.697 -10.544 -6.664 1.00 3.44 H new ATOM 0 HA TYR A 141 -9.677 -13.487 -6.622 1.00 44.11 H new ATOM 0 HB2 TYR A 141 -9.912 -11.361 -4.459 1.00 12.30 H new ATOM 0 HB3 TYR A 141 -10.050 -13.077 -4.133 1.00 12.30 H new ATOM 0 HD1 TYR A 141 -7.994 -14.585 -4.812 1.00 31.02 H new ATOM 0 HD2 TYR A 141 -7.746 -10.339 -4.484 1.00 55.55 H new ATOM 0 HE1 TYR A 141 -5.558 -14.742 -4.548 1.00 5.03 H new ATOM 0 HE2 TYR A 141 -5.325 -10.503 -4.237 1.00 25.24 H new ATOM 0 HH TYR A 141 -3.704 -13.483 -3.662 1.00 21.30 H new ATOM 2166 N GLY A 142 -12.389 -11.896 -6.946 1.00 33.14 N ATOM 2167 CA GLY A 142 -13.841 -12.030 -7.152 1.00 34.41 C ATOM 2168 C GLY A 142 -14.243 -13.245 -8.004 1.00 3.25 C ATOM 2169 O GLY A 142 -15.434 -13.547 -8.136 1.00 1.24 O ATOM 0 H GLY A 142 -11.982 -11.082 -7.406 1.00 33.14 H new ATOM 0 HA2 GLY A 142 -14.330 -12.103 -6.181 1.00 34.41 H new ATOM 0 HA3 GLY A 142 -14.215 -11.125 -7.630 1.00 34.41 H new