USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 435 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 135 SER OG : rot 180:sc= -0.0973 USER MOD Set 1.2: A 136 ASN : amide:sc= -0.196 K(o=-0.29,f=-2.1!) USER MOD Set 2.1: A 124 SER OG : rot -156:sc= 1.16 USER MOD Set 2.2: A 127 THR OG1 : rot 180:sc= 1.08 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.616 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 50:sc= -0.759 USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.191 USER MOD Single : A 102 SER OG : rot 180:sc= -1.97! USER MOD Single : A 104 HIS : no HD1:sc= -0.0952 X(o=-0.095,f=-0.068) USER MOD Single : A 105 LYS NZ :NH3+ -161:sc= -0.252 (180deg=-1.34) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -4.22! C(o=-4.2!,f=-2.6!) USER MOD Single : A 113 ASN : amide:sc= -1.65 K(o=-1.7,f=-0.69!) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot -42:sc= 1.13 USER MOD Single : A 126 THR OG1 : rot 180:sc= 0 USER MOD Single : A 130 THR OG1 : rot 180:sc= -0.53 USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 84 -13.637 4.092 -12.826 1.00 0.00 N ATOM 2 CA VAL A 84 -12.155 4.021 -12.685 1.00 0.00 C ATOM 3 C VAL A 84 -11.772 4.205 -11.215 1.00 0.00 C ATOM 4 O VAL A 84 -12.614 4.411 -10.364 1.00 0.00 O ATOM 5 CB VAL A 84 -11.509 5.128 -13.518 1.00 0.00 C ATOM 6 CG1 VAL A 84 -11.733 4.848 -15.005 1.00 0.00 C ATOM 7 CG2 VAL A 84 -12.139 6.472 -13.154 1.00 0.00 C ATOM 0 HA VAL A 84 -11.805 3.050 -13.035 1.00 0.00 H new ATOM 0 HB VAL A 84 -10.439 5.158 -13.312 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -11.272 5.638 -15.598 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.284 3.890 -15.266 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -12.803 4.816 -15.212 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -11.679 7.262 -13.747 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -13.209 6.440 -13.360 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -11.979 6.674 -12.095 1.00 0.00 H new ATOM 19 N THR A 85 -10.504 4.134 -10.913 1.00 0.00 N ATOM 20 CA THR A 85 -10.060 4.306 -9.502 1.00 0.00 C ATOM 21 C THR A 85 -8.552 4.557 -9.477 1.00 0.00 C ATOM 22 O THR A 85 -7.761 3.640 -9.364 1.00 0.00 O ATOM 23 CB THR A 85 -10.382 3.038 -8.708 1.00 0.00 C ATOM 24 OG1 THR A 85 -11.145 2.155 -9.519 1.00 0.00 O ATOM 25 CG2 THR A 85 -11.181 3.407 -7.457 1.00 0.00 C ATOM 0 H THR A 85 -9.756 3.964 -11.585 1.00 0.00 H new ATOM 0 HA THR A 85 -10.579 5.153 -9.054 1.00 0.00 H new ATOM 0 HB THR A 85 -9.455 2.548 -8.411 1.00 0.00 H new ATOM 0 HG1 THR A 85 -11.351 1.342 -9.013 1.00 0.00 H new ATOM 0 HG21 THR A 85 -11.410 2.503 -6.892 1.00 0.00 H new ATOM 0 HG22 THR A 85 -10.594 4.084 -6.837 1.00 0.00 H new ATOM 0 HG23 THR A 85 -12.110 3.897 -7.750 1.00 0.00 H new ATOM 33 N LEU A 86 -8.143 5.792 -9.589 1.00 0.00 N ATOM 34 CA LEU A 86 -6.686 6.098 -9.578 1.00 0.00 C ATOM 35 C LEU A 86 -6.321 6.832 -8.287 1.00 0.00 C ATOM 36 O LEU A 86 -6.881 7.861 -7.966 1.00 0.00 O ATOM 37 CB LEU A 86 -6.345 6.984 -10.778 1.00 0.00 C ATOM 38 CG LEU A 86 -5.934 6.107 -11.962 1.00 0.00 C ATOM 39 CD1 LEU A 86 -7.027 6.147 -13.031 1.00 0.00 C ATOM 40 CD2 LEU A 86 -4.625 6.634 -12.555 1.00 0.00 C ATOM 0 H LEU A 86 -8.756 6.601 -9.688 1.00 0.00 H new ATOM 0 HA LEU A 86 -6.122 5.167 -9.635 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.206 7.596 -11.047 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.536 7.667 -10.520 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.795 5.081 -11.622 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.734 5.522 -13.875 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.961 5.774 -12.611 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.166 7.173 -13.371 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.331 6.010 -13.399 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.766 7.660 -12.894 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.844 6.608 -11.795 1.00 0.00 H new ATOM 52 N PHE A 87 -5.381 6.313 -7.546 1.00 0.00 N ATOM 53 CA PHE A 87 -4.976 6.984 -6.279 1.00 0.00 C ATOM 54 C PHE A 87 -3.566 7.557 -6.441 1.00 0.00 C ATOM 55 O PHE A 87 -2.887 7.294 -7.413 1.00 0.00 O ATOM 56 CB PHE A 87 -4.985 5.967 -5.138 1.00 0.00 C ATOM 57 CG PHE A 87 -6.409 5.564 -4.835 1.00 0.00 C ATOM 58 CD1 PHE A 87 -7.190 4.955 -5.825 1.00 0.00 C ATOM 59 CD2 PHE A 87 -6.949 5.802 -3.567 1.00 0.00 C ATOM 60 CE1 PHE A 87 -8.510 4.582 -5.545 1.00 0.00 C ATOM 61 CE2 PHE A 87 -8.269 5.430 -3.286 1.00 0.00 C ATOM 62 CZ PHE A 87 -9.049 4.820 -4.275 1.00 0.00 C ATOM 0 H PHE A 87 -4.876 5.454 -7.763 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.675 7.789 -6.051 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.398 5.091 -5.413 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.520 6.396 -4.250 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.774 4.773 -6.805 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.347 6.273 -2.804 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -9.112 4.111 -6.308 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -8.685 5.614 -2.306 1.00 0.00 H new ATOM 0 HZ PHE A 87 -10.067 4.533 -4.058 1.00 0.00 H new ATOM 72 N VAL A 88 -3.121 8.343 -5.498 1.00 0.00 N ATOM 73 CA VAL A 88 -1.756 8.933 -5.607 1.00 0.00 C ATOM 74 C VAL A 88 -0.966 8.640 -4.331 1.00 0.00 C ATOM 75 O VAL A 88 -1.517 8.570 -3.250 1.00 0.00 O ATOM 76 CB VAL A 88 -1.856 10.452 -5.796 1.00 0.00 C ATOM 77 CG1 VAL A 88 -0.734 10.922 -6.723 1.00 0.00 C ATOM 78 CG2 VAL A 88 -3.209 10.814 -6.417 1.00 0.00 C ATOM 0 H VAL A 88 -3.642 8.601 -4.660 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.248 8.492 -6.465 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.764 10.940 -4.826 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.803 12.001 -6.859 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.231 10.673 -6.282 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.830 10.428 -7.690 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.272 11.894 -6.548 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.307 10.325 -7.386 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.012 10.481 -5.759 1.00 0.00 H new ATOM 88 N ALA A 89 0.325 8.475 -4.449 1.00 0.00 N ATOM 89 CA ALA A 89 1.156 8.194 -3.245 1.00 0.00 C ATOM 90 C ALA A 89 1.438 9.507 -2.511 1.00 0.00 C ATOM 91 O ALA A 89 2.035 10.416 -3.053 1.00 0.00 O ATOM 92 CB ALA A 89 2.478 7.554 -3.676 1.00 0.00 C ATOM 0 H ALA A 89 0.839 8.523 -5.329 1.00 0.00 H new ATOM 0 HA ALA A 89 0.624 7.512 -2.582 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.087 7.348 -2.796 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.276 6.622 -4.204 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.014 8.236 -4.336 1.00 0.00 H new ATOM 98 N LEU A 90 1.005 9.618 -1.285 1.00 0.00 N ATOM 99 CA LEU A 90 1.242 10.879 -0.523 1.00 0.00 C ATOM 100 C LEU A 90 2.606 10.829 0.166 1.00 0.00 C ATOM 101 O LEU A 90 3.045 11.795 0.758 1.00 0.00 O ATOM 102 CB LEU A 90 0.150 11.048 0.535 1.00 0.00 C ATOM 103 CG LEU A 90 -1.218 10.773 -0.088 1.00 0.00 C ATOM 104 CD1 LEU A 90 -2.080 9.985 0.901 1.00 0.00 C ATOM 105 CD2 LEU A 90 -1.905 12.101 -0.413 1.00 0.00 C ATOM 0 H LEU A 90 0.498 8.892 -0.778 1.00 0.00 H new ATOM 0 HA LEU A 90 1.221 11.720 -1.216 1.00 0.00 H new ATOM 0 HB2 LEU A 90 0.326 10.364 1.366 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.178 12.059 0.942 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.091 10.194 -1.003 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -3.056 9.789 0.457 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.592 9.039 1.136 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.207 10.565 1.815 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.881 11.906 -0.858 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -2.032 12.679 0.503 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -1.292 12.665 -1.116 1.00 0.00 H new ATOM 117 N TYR A 91 3.282 9.715 0.107 1.00 0.00 N ATOM 118 CA TYR A 91 4.612 9.625 0.774 1.00 0.00 C ATOM 119 C TYR A 91 5.534 8.697 -0.019 1.00 0.00 C ATOM 120 O TYR A 91 5.092 7.769 -0.667 1.00 0.00 O ATOM 121 CB TYR A 91 4.430 9.077 2.190 1.00 0.00 C ATOM 122 CG TYR A 91 3.438 9.933 2.938 1.00 0.00 C ATOM 123 CD1 TYR A 91 3.835 11.169 3.462 1.00 0.00 C ATOM 124 CD2 TYR A 91 2.120 9.494 3.106 1.00 0.00 C ATOM 125 CE1 TYR A 91 2.916 11.965 4.155 1.00 0.00 C ATOM 126 CE2 TYR A 91 1.199 10.290 3.799 1.00 0.00 C ATOM 127 CZ TYR A 91 1.597 11.525 4.322 1.00 0.00 C ATOM 128 OH TYR A 91 0.690 12.311 5.005 1.00 0.00 O ATOM 0 H TYR A 91 2.974 8.868 -0.371 1.00 0.00 H new ATOM 0 HA TYR A 91 5.060 10.618 0.818 1.00 0.00 H new ATOM 0 HB2 TYR A 91 4.079 8.046 2.150 1.00 0.00 H new ATOM 0 HB3 TYR A 91 5.386 9.068 2.713 1.00 0.00 H new ATOM 0 HD1 TYR A 91 4.852 11.509 3.331 1.00 0.00 H new ATOM 0 HD2 TYR A 91 1.813 8.541 2.701 1.00 0.00 H new ATOM 0 HE1 TYR A 91 3.224 12.918 4.561 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.182 9.950 3.930 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.180 11.860 5.030 1.00 0.00 H new ATOM 138 N ASP A 92 6.816 8.939 0.037 1.00 0.00 N ATOM 139 CA ASP A 92 7.774 8.070 -0.703 1.00 0.00 C ATOM 140 C ASP A 92 7.909 6.735 0.031 1.00 0.00 C ATOM 141 O ASP A 92 7.966 6.688 1.243 1.00 0.00 O ATOM 142 CB ASP A 92 9.140 8.757 -0.767 1.00 0.00 C ATOM 143 CG ASP A 92 10.184 7.774 -1.302 1.00 0.00 C ATOM 144 OD1 ASP A 92 9.787 6.779 -1.885 1.00 0.00 O ATOM 145 OD2 ASP A 92 11.362 8.034 -1.120 1.00 0.00 O ATOM 0 H ASP A 92 7.241 9.702 0.564 1.00 0.00 H new ATOM 0 HA ASP A 92 7.408 7.898 -1.715 1.00 0.00 H new ATOM 0 HB2 ASP A 92 9.087 9.634 -1.412 1.00 0.00 H new ATOM 0 HB3 ASP A 92 9.429 9.107 0.224 1.00 0.00 H new ATOM 150 N TYR A 93 7.956 5.650 -0.690 1.00 0.00 N ATOM 151 CA TYR A 93 8.081 4.324 -0.023 1.00 0.00 C ATOM 152 C TYR A 93 9.089 3.459 -0.784 1.00 0.00 C ATOM 153 O TYR A 93 9.136 3.463 -1.997 1.00 0.00 O ATOM 154 CB TYR A 93 6.718 3.631 -0.012 1.00 0.00 C ATOM 155 CG TYR A 93 6.879 2.216 0.485 1.00 0.00 C ATOM 156 CD1 TYR A 93 7.594 1.966 1.661 1.00 0.00 C ATOM 157 CD2 TYR A 93 6.313 1.155 -0.230 1.00 0.00 C ATOM 158 CE1 TYR A 93 7.743 0.653 2.124 1.00 0.00 C ATOM 159 CE2 TYR A 93 6.461 -0.158 0.231 1.00 0.00 C ATOM 160 CZ TYR A 93 7.177 -0.409 1.409 1.00 0.00 C ATOM 161 OH TYR A 93 7.324 -1.703 1.865 1.00 0.00 O ATOM 0 H TYR A 93 7.913 5.623 -1.709 1.00 0.00 H new ATOM 0 HA TYR A 93 8.427 4.464 1.001 1.00 0.00 H new ATOM 0 HB2 TYR A 93 6.026 4.177 0.629 1.00 0.00 H new ATOM 0 HB3 TYR A 93 6.290 3.629 -1.015 1.00 0.00 H new ATOM 0 HD1 TYR A 93 8.031 2.786 2.212 1.00 0.00 H new ATOM 0 HD2 TYR A 93 5.762 1.349 -1.138 1.00 0.00 H new ATOM 0 HE1 TYR A 93 8.294 0.460 3.032 1.00 0.00 H new ATOM 0 HE2 TYR A 93 6.024 -0.977 -0.321 1.00 0.00 H new ATOM 0 HH TYR A 93 7.077 -1.746 2.812 1.00 0.00 H new ATOM 171 N GLU A 94 9.894 2.713 -0.076 1.00 0.00 N ATOM 172 CA GLU A 94 10.896 1.845 -0.756 1.00 0.00 C ATOM 173 C GLU A 94 10.684 0.394 -0.321 1.00 0.00 C ATOM 174 O GLU A 94 11.386 -0.122 0.526 1.00 0.00 O ATOM 175 CB GLU A 94 12.316 2.288 -0.385 1.00 0.00 C ATOM 176 CG GLU A 94 12.299 3.037 0.951 1.00 0.00 C ATOM 177 CD GLU A 94 11.947 4.506 0.707 1.00 0.00 C ATOM 178 OE1 GLU A 94 12.860 5.284 0.483 1.00 0.00 O ATOM 179 OE2 GLU A 94 10.771 4.828 0.748 1.00 0.00 O ATOM 0 H GLU A 94 9.900 2.668 0.943 1.00 0.00 H new ATOM 0 HA GLU A 94 10.770 1.930 -1.835 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.970 1.419 -0.316 1.00 0.00 H new ATOM 0 HB3 GLU A 94 12.721 2.931 -1.167 1.00 0.00 H new ATOM 0 HG2 GLU A 94 11.571 2.585 1.625 1.00 0.00 H new ATOM 0 HG3 GLU A 94 13.272 2.961 1.435 1.00 0.00 H new ATOM 186 N ALA A 95 9.714 -0.265 -0.892 1.00 0.00 N ATOM 187 CA ALA A 95 9.443 -1.680 -0.515 1.00 0.00 C ATOM 188 C ALA A 95 10.720 -2.511 -0.662 1.00 0.00 C ATOM 189 O ALA A 95 11.253 -2.661 -1.744 1.00 0.00 O ATOM 190 CB ALA A 95 8.359 -2.251 -1.431 1.00 0.00 C ATOM 0 H ALA A 95 9.095 0.118 -1.607 1.00 0.00 H new ATOM 0 HA ALA A 95 9.107 -1.717 0.521 1.00 0.00 H new ATOM 0 HB1 ALA A 95 8.159 -3.287 -1.157 1.00 0.00 H new ATOM 0 HB2 ALA A 95 7.446 -1.665 -1.324 1.00 0.00 H new ATOM 0 HB3 ALA A 95 8.698 -2.209 -2.466 1.00 0.00 H new ATOM 196 N ARG A 96 11.209 -3.059 0.416 1.00 0.00 N ATOM 197 CA ARG A 96 12.444 -3.888 0.336 1.00 0.00 C ATOM 198 C ARG A 96 12.057 -5.338 0.042 1.00 0.00 C ATOM 199 O ARG A 96 12.866 -6.240 0.141 1.00 0.00 O ATOM 200 CB ARG A 96 13.192 -3.822 1.669 1.00 0.00 C ATOM 201 CG ARG A 96 13.882 -2.464 1.801 1.00 0.00 C ATOM 202 CD ARG A 96 15.149 -2.451 0.944 1.00 0.00 C ATOM 203 NE ARG A 96 15.384 -1.073 0.425 1.00 0.00 N ATOM 204 CZ ARG A 96 16.455 -0.813 -0.271 1.00 0.00 C ATOM 205 NH1 ARG A 96 17.467 -1.636 -0.239 1.00 0.00 N ATOM 206 NH2 ARG A 96 16.514 0.268 -0.999 1.00 0.00 N ATOM 0 H ARG A 96 10.807 -2.968 1.349 1.00 0.00 H new ATOM 0 HA ARG A 96 13.087 -3.510 -0.459 1.00 0.00 H new ATOM 0 HB2 ARG A 96 12.497 -3.970 2.496 1.00 0.00 H new ATOM 0 HB3 ARG A 96 13.929 -4.623 1.724 1.00 0.00 H new ATOM 0 HG2 ARG A 96 13.207 -1.669 1.484 1.00 0.00 H new ATOM 0 HG3 ARG A 96 14.133 -2.272 2.844 1.00 0.00 H new ATOM 0 HD2 ARG A 96 16.004 -2.779 1.535 1.00 0.00 H new ATOM 0 HD3 ARG A 96 15.047 -3.151 0.115 1.00 0.00 H new ATOM 0 HE ARG A 96 14.707 -0.334 0.615 1.00 0.00 H new ATOM 0 HH11 ARG A 96 17.419 -2.481 0.330 1.00 0.00 H new ATOM 0 HH12 ARG A 96 18.306 -1.434 -0.783 1.00 0.00 H new ATOM 0 HH21 ARG A 96 15.722 0.910 -1.024 1.00 0.00 H new ATOM 0 HH22 ARG A 96 17.352 0.471 -1.543 1.00 0.00 H new ATOM 220 N THR A 97 10.823 -5.569 -0.317 1.00 0.00 N ATOM 221 CA THR A 97 10.380 -6.958 -0.614 1.00 0.00 C ATOM 222 C THR A 97 9.818 -7.019 -2.035 1.00 0.00 C ATOM 223 O THR A 97 9.548 -6.007 -2.650 1.00 0.00 O ATOM 224 CB THR A 97 9.294 -7.370 0.383 1.00 0.00 C ATOM 225 OG1 THR A 97 8.714 -8.599 -0.030 1.00 0.00 O ATOM 226 CG2 THR A 97 8.216 -6.288 0.442 1.00 0.00 C ATOM 0 H THR A 97 10.103 -4.854 -0.417 1.00 0.00 H new ATOM 0 HA THR A 97 11.228 -7.638 -0.529 1.00 0.00 H new ATOM 0 HB THR A 97 9.736 -7.492 1.372 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.020 -8.864 0.609 1.00 0.00 H new ATOM 0 HG21 THR A 97 7.443 -6.583 1.152 1.00 0.00 H new ATOM 0 HG22 THR A 97 8.663 -5.346 0.761 1.00 0.00 H new ATOM 0 HG23 THR A 97 7.772 -6.162 -0.546 1.00 0.00 H new ATOM 234 N GLU A 98 9.642 -8.198 -2.564 1.00 0.00 N ATOM 235 CA GLU A 98 9.098 -8.322 -3.945 1.00 0.00 C ATOM 236 C GLU A 98 7.577 -8.170 -3.908 1.00 0.00 C ATOM 237 O GLU A 98 6.941 -7.946 -4.918 1.00 0.00 O ATOM 238 CB GLU A 98 9.464 -9.693 -4.516 1.00 0.00 C ATOM 239 CG GLU A 98 10.986 -9.812 -4.623 1.00 0.00 C ATOM 240 CD GLU A 98 11.509 -10.714 -3.503 1.00 0.00 C ATOM 241 OE1 GLU A 98 11.596 -10.242 -2.381 1.00 0.00 O ATOM 242 OE2 GLU A 98 11.813 -11.861 -3.787 1.00 0.00 O ATOM 0 H GLU A 98 9.852 -9.081 -2.099 1.00 0.00 H new ATOM 0 HA GLU A 98 9.524 -7.542 -4.576 1.00 0.00 H new ATOM 0 HB2 GLU A 98 9.071 -10.482 -3.875 1.00 0.00 H new ATOM 0 HB3 GLU A 98 9.009 -9.823 -5.498 1.00 0.00 H new ATOM 0 HG2 GLU A 98 11.262 -10.223 -5.594 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.444 -8.825 -4.553 1.00 0.00 H new ATOM 249 N ASP A 99 6.987 -8.287 -2.748 1.00 0.00 N ATOM 250 CA ASP A 99 5.508 -8.147 -2.650 1.00 0.00 C ATOM 251 C ASP A 99 5.131 -6.667 -2.742 1.00 0.00 C ATOM 252 O ASP A 99 4.463 -6.243 -3.663 1.00 0.00 O ATOM 253 CB ASP A 99 5.027 -8.715 -1.312 1.00 0.00 C ATOM 254 CG ASP A 99 4.789 -10.219 -1.452 1.00 0.00 C ATOM 255 OD1 ASP A 99 5.631 -10.879 -2.039 1.00 0.00 O ATOM 256 OD2 ASP A 99 3.770 -10.685 -0.970 1.00 0.00 O ATOM 0 H ASP A 99 7.466 -8.473 -1.867 1.00 0.00 H new ATOM 0 HA ASP A 99 5.036 -8.695 -3.466 1.00 0.00 H new ATOM 0 HB2 ASP A 99 5.769 -8.524 -0.536 1.00 0.00 H new ATOM 0 HB3 ASP A 99 4.107 -8.218 -1.003 1.00 0.00 H new ATOM 261 N ASP A 100 5.557 -5.875 -1.795 1.00 0.00 N ATOM 262 CA ASP A 100 5.224 -4.424 -1.829 1.00 0.00 C ATOM 263 C ASP A 100 5.919 -3.769 -3.026 1.00 0.00 C ATOM 264 O ASP A 100 6.744 -4.371 -3.683 1.00 0.00 O ATOM 265 CB ASP A 100 5.705 -3.761 -0.537 1.00 0.00 C ATOM 266 CG ASP A 100 5.096 -4.482 0.667 1.00 0.00 C ATOM 267 OD1 ASP A 100 4.144 -5.220 0.472 1.00 0.00 O ATOM 268 OD2 ASP A 100 5.592 -4.286 1.764 1.00 0.00 O ATOM 0 H ASP A 100 6.122 -6.172 -0.999 1.00 0.00 H new ATOM 0 HA ASP A 100 4.145 -4.301 -1.922 1.00 0.00 H new ATOM 0 HB2 ASP A 100 6.793 -3.795 -0.482 1.00 0.00 H new ATOM 0 HB3 ASP A 100 5.418 -2.709 -0.527 1.00 0.00 H new ATOM 273 N LEU A 101 5.593 -2.537 -3.313 1.00 0.00 N ATOM 274 CA LEU A 101 6.237 -1.846 -4.466 1.00 0.00 C ATOM 275 C LEU A 101 7.028 -0.639 -3.956 1.00 0.00 C ATOM 276 O LEU A 101 6.945 -0.275 -2.800 1.00 0.00 O ATOM 277 CB LEU A 101 5.162 -1.377 -5.448 1.00 0.00 C ATOM 278 CG LEU A 101 4.266 -2.557 -5.830 1.00 0.00 C ATOM 279 CD1 LEU A 101 2.800 -2.119 -5.790 1.00 0.00 C ATOM 280 CD2 LEU A 101 4.619 -3.029 -7.242 1.00 0.00 C ATOM 0 H LEU A 101 4.910 -1.981 -2.799 1.00 0.00 H new ATOM 0 HA LEU A 101 6.912 -2.536 -4.973 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.564 -0.584 -4.998 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.628 -0.957 -6.340 1.00 0.00 H new ATOM 0 HG LEU A 101 4.420 -3.373 -5.125 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.162 -2.960 -6.062 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.548 -1.783 -4.784 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.645 -1.302 -6.495 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.981 -3.870 -7.515 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.465 -2.213 -7.948 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.663 -3.341 -7.271 1.00 0.00 H new ATOM 292 N SER A 102 7.794 -0.018 -4.809 1.00 0.00 N ATOM 293 CA SER A 102 8.589 1.165 -4.373 1.00 0.00 C ATOM 294 C SER A 102 8.340 2.329 -5.333 1.00 0.00 C ATOM 295 O SER A 102 8.359 2.168 -6.537 1.00 0.00 O ATOM 296 CB SER A 102 10.076 0.811 -4.382 1.00 0.00 C ATOM 297 OG SER A 102 10.361 -0.052 -3.289 1.00 0.00 O ATOM 0 H SER A 102 7.904 -0.278 -5.789 1.00 0.00 H new ATOM 0 HA SER A 102 8.288 1.452 -3.366 1.00 0.00 H new ATOM 0 HB2 SER A 102 10.340 0.326 -5.322 1.00 0.00 H new ATOM 0 HB3 SER A 102 10.678 1.717 -4.311 1.00 0.00 H new ATOM 0 HG SER A 102 11.314 -0.282 -3.293 1.00 0.00 H new ATOM 303 N PHE A 103 8.109 3.503 -4.810 1.00 0.00 N ATOM 304 CA PHE A 103 7.862 4.675 -5.696 1.00 0.00 C ATOM 305 C PHE A 103 8.134 5.966 -4.924 1.00 0.00 C ATOM 306 O PHE A 103 8.470 5.945 -3.756 1.00 0.00 O ATOM 307 CB PHE A 103 6.407 4.662 -6.170 1.00 0.00 C ATOM 308 CG PHE A 103 5.498 4.329 -5.012 1.00 0.00 C ATOM 309 CD1 PHE A 103 5.094 5.337 -4.125 1.00 0.00 C ATOM 310 CD2 PHE A 103 5.056 3.014 -4.823 1.00 0.00 C ATOM 311 CE1 PHE A 103 4.249 5.028 -3.053 1.00 0.00 C ATOM 312 CE2 PHE A 103 4.210 2.706 -3.751 1.00 0.00 C ATOM 313 CZ PHE A 103 3.807 3.714 -2.866 1.00 0.00 C ATOM 0 H PHE A 103 8.081 3.700 -3.810 1.00 0.00 H new ATOM 0 HA PHE A 103 8.525 4.621 -6.559 1.00 0.00 H new ATOM 0 HB2 PHE A 103 6.141 5.634 -6.586 1.00 0.00 H new ATOM 0 HB3 PHE A 103 6.280 3.929 -6.967 1.00 0.00 H new ATOM 0 HD1 PHE A 103 5.435 6.352 -4.269 1.00 0.00 H new ATOM 0 HD2 PHE A 103 5.368 2.237 -5.505 1.00 0.00 H new ATOM 0 HE1 PHE A 103 3.938 5.804 -2.370 1.00 0.00 H new ATOM 0 HE2 PHE A 103 3.868 1.692 -3.606 1.00 0.00 H new ATOM 0 HZ PHE A 103 3.155 3.477 -2.039 1.00 0.00 H new ATOM 323 N HIS A 104 7.995 7.091 -5.568 1.00 0.00 N ATOM 324 CA HIS A 104 8.248 8.387 -4.872 1.00 0.00 C ATOM 325 C HIS A 104 6.913 9.083 -4.600 1.00 0.00 C ATOM 326 O HIS A 104 5.938 8.866 -5.292 1.00 0.00 O ATOM 327 CB HIS A 104 9.126 9.302 -5.744 1.00 0.00 C ATOM 328 CG HIS A 104 9.673 8.539 -6.922 1.00 0.00 C ATOM 329 ND1 HIS A 104 10.778 7.709 -6.818 1.00 0.00 N ATOM 330 CD2 HIS A 104 9.273 8.468 -8.234 1.00 0.00 C ATOM 331 CE1 HIS A 104 11.003 7.180 -8.034 1.00 0.00 C ATOM 332 NE2 HIS A 104 10.115 7.609 -8.934 1.00 0.00 N ATOM 0 H HIS A 104 7.717 7.171 -6.546 1.00 0.00 H new ATOM 0 HA HIS A 104 8.766 8.188 -3.934 1.00 0.00 H new ATOM 0 HB2 HIS A 104 8.541 10.152 -6.094 1.00 0.00 H new ATOM 0 HB3 HIS A 104 9.947 9.703 -5.150 1.00 0.00 H new ATOM 0 HD2 HIS A 104 8.433 8.998 -8.658 1.00 0.00 H new ATOM 0 HE1 HIS A 104 11.805 6.491 -8.256 1.00 0.00 H new ATOM 0 HE2 HIS A 104 10.065 7.361 -9.922 1.00 0.00 H new ATOM 340 N LYS A 105 6.861 9.914 -3.597 1.00 0.00 N ATOM 341 CA LYS A 105 5.588 10.621 -3.281 1.00 0.00 C ATOM 342 C LYS A 105 5.106 11.381 -4.518 1.00 0.00 C ATOM 343 O LYS A 105 5.693 12.363 -4.926 1.00 0.00 O ATOM 344 CB LYS A 105 5.822 11.605 -2.132 1.00 0.00 C ATOM 345 CG LYS A 105 4.579 12.476 -1.936 1.00 0.00 C ATOM 346 CD LYS A 105 4.868 13.547 -0.881 1.00 0.00 C ATOM 347 CE LYS A 105 3.669 14.491 -0.768 1.00 0.00 C ATOM 348 NZ LYS A 105 3.146 14.794 -2.131 1.00 0.00 N ATOM 0 H LYS A 105 7.645 10.134 -2.982 1.00 0.00 H new ATOM 0 HA LYS A 105 4.831 9.894 -2.986 1.00 0.00 H new ATOM 0 HB2 LYS A 105 6.045 11.061 -1.214 1.00 0.00 H new ATOM 0 HB3 LYS A 105 6.687 12.232 -2.348 1.00 0.00 H new ATOM 0 HG2 LYS A 105 4.298 12.945 -2.879 1.00 0.00 H new ATOM 0 HG3 LYS A 105 3.736 11.860 -1.623 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.067 13.078 0.083 1.00 0.00 H new ATOM 0 HD3 LYS A 105 5.762 14.109 -1.153 1.00 0.00 H new ATOM 0 HE2 LYS A 105 2.888 14.034 -0.160 1.00 0.00 H new ATOM 0 HE3 LYS A 105 3.964 15.413 -0.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 2.565 15.656 -2.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 3.942 14.940 -2.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 2.566 13.998 -2.465 1.00 0.00 H new ATOM 362 N GLY A 106 4.040 10.929 -5.120 1.00 0.00 N ATOM 363 CA GLY A 106 3.517 11.619 -6.333 1.00 0.00 C ATOM 364 C GLY A 106 3.308 10.597 -7.452 1.00 0.00 C ATOM 365 O GLY A 106 2.866 10.929 -8.534 1.00 0.00 O ATOM 0 H GLY A 106 3.508 10.111 -4.824 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.576 12.119 -6.103 1.00 0.00 H new ATOM 0 HA3 GLY A 106 4.217 12.390 -6.656 1.00 0.00 H new ATOM 369 N GLU A 107 3.621 9.353 -7.203 1.00 0.00 N ATOM 370 CA GLU A 107 3.436 8.315 -8.257 1.00 0.00 C ATOM 371 C GLU A 107 1.958 7.928 -8.340 1.00 0.00 C ATOM 372 O GLU A 107 1.262 7.878 -7.345 1.00 0.00 O ATOM 373 CB GLU A 107 4.268 7.079 -7.909 1.00 0.00 C ATOM 374 CG GLU A 107 5.414 6.939 -8.914 1.00 0.00 C ATOM 375 CD GLU A 107 5.779 5.463 -9.071 1.00 0.00 C ATOM 376 OE1 GLU A 107 4.917 4.631 -8.839 1.00 0.00 O ATOM 377 OE2 GLU A 107 6.915 5.188 -9.421 1.00 0.00 O ATOM 0 H GLU A 107 3.996 9.012 -6.318 1.00 0.00 H new ATOM 0 HA GLU A 107 3.762 8.713 -9.218 1.00 0.00 H new ATOM 0 HB2 GLU A 107 4.665 7.167 -6.898 1.00 0.00 H new ATOM 0 HB3 GLU A 107 3.641 6.188 -7.929 1.00 0.00 H new ATOM 0 HG2 GLU A 107 5.120 7.356 -9.877 1.00 0.00 H new ATOM 0 HG3 GLU A 107 6.281 7.505 -8.573 1.00 0.00 H new ATOM 384 N LYS A 108 1.472 7.653 -9.520 1.00 0.00 N ATOM 385 CA LYS A 108 0.038 7.272 -9.666 1.00 0.00 C ATOM 386 C LYS A 108 -0.099 5.751 -9.588 1.00 0.00 C ATOM 387 O LYS A 108 0.824 5.018 -9.888 1.00 0.00 O ATOM 388 CB LYS A 108 -0.486 7.762 -11.018 1.00 0.00 C ATOM 389 CG LYS A 108 0.009 9.186 -11.271 1.00 0.00 C ATOM 390 CD LYS A 108 -0.458 10.099 -10.137 1.00 0.00 C ATOM 391 CE LYS A 108 0.403 11.362 -10.112 1.00 0.00 C ATOM 392 NZ LYS A 108 -0.065 12.303 -11.168 1.00 0.00 N ATOM 0 H LYS A 108 2.006 7.676 -10.389 1.00 0.00 H new ATOM 0 HA LYS A 108 -0.541 7.730 -8.864 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -0.144 7.100 -11.814 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -1.576 7.737 -11.028 1.00 0.00 H new ATOM 0 HG2 LYS A 108 1.097 9.198 -11.336 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.372 9.550 -12.225 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -1.506 10.363 -10.277 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -0.385 9.578 -9.183 1.00 0.00 H new ATOM 0 HE2 LYS A 108 0.342 11.837 -9.133 1.00 0.00 H new ATOM 0 HE3 LYS A 108 1.449 11.105 -10.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 0.520 13.162 -11.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 0.015 11.847 -12.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -1.058 12.557 -10.991 1.00 0.00 H new ATOM 406 N PHE A 109 -1.245 5.270 -9.189 1.00 0.00 N ATOM 407 CA PHE A 109 -1.443 3.796 -9.092 1.00 0.00 C ATOM 408 C PHE A 109 -2.914 3.459 -9.341 1.00 0.00 C ATOM 409 O PHE A 109 -3.789 4.284 -9.167 1.00 0.00 O ATOM 410 CB PHE A 109 -1.053 3.318 -7.692 1.00 0.00 C ATOM 411 CG PHE A 109 0.433 3.480 -7.490 1.00 0.00 C ATOM 412 CD1 PHE A 109 1.312 2.489 -7.941 1.00 0.00 C ATOM 413 CD2 PHE A 109 0.932 4.617 -6.842 1.00 0.00 C ATOM 414 CE1 PHE A 109 2.690 2.634 -7.747 1.00 0.00 C ATOM 415 CE2 PHE A 109 2.311 4.763 -6.648 1.00 0.00 C ATOM 416 CZ PHE A 109 3.189 3.770 -7.100 1.00 0.00 C ATOM 0 H PHE A 109 -2.053 5.834 -8.926 1.00 0.00 H new ATOM 0 HA PHE A 109 -0.820 3.301 -9.837 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -1.596 3.889 -6.939 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -1.335 2.273 -7.563 1.00 0.00 H new ATOM 0 HD1 PHE A 109 0.926 1.612 -8.439 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.253 5.381 -6.492 1.00 0.00 H new ATOM 0 HE1 PHE A 109 3.368 1.870 -8.096 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.697 5.640 -6.150 1.00 0.00 H new ATOM 0 HZ PHE A 109 4.253 3.881 -6.949 1.00 0.00 H new ATOM 426 N GLN A 110 -3.195 2.247 -9.735 1.00 0.00 N ATOM 427 CA GLN A 110 -4.611 1.851 -9.979 1.00 0.00 C ATOM 428 C GLN A 110 -4.981 0.712 -9.027 1.00 0.00 C ATOM 429 O GLN A 110 -4.787 -0.449 -9.326 1.00 0.00 O ATOM 430 CB GLN A 110 -4.775 1.385 -11.429 1.00 0.00 C ATOM 431 CG GLN A 110 -3.642 0.423 -11.791 1.00 0.00 C ATOM 432 CD GLN A 110 -3.985 -0.295 -13.098 1.00 0.00 C ATOM 433 OE1 GLN A 110 -5.016 -0.930 -13.204 1.00 0.00 O ATOM 434 NE2 GLN A 110 -3.158 -0.223 -14.105 1.00 0.00 N ATOM 0 H GLN A 110 -2.505 1.514 -9.899 1.00 0.00 H new ATOM 0 HA GLN A 110 -5.266 2.704 -9.804 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -5.739 0.892 -11.556 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -4.765 2.243 -12.101 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -2.705 0.970 -11.898 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -3.497 -0.303 -10.991 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -2.293 0.310 -14.017 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -3.377 -0.699 -14.980 1.00 0.00 H new ATOM 443 N ILE A 111 -5.503 1.040 -7.876 1.00 0.00 N ATOM 444 CA ILE A 111 -5.878 -0.018 -6.895 1.00 0.00 C ATOM 445 C ILE A 111 -6.729 -1.087 -7.581 1.00 0.00 C ATOM 446 O ILE A 111 -7.913 -0.911 -7.792 1.00 0.00 O ATOM 447 CB ILE A 111 -6.680 0.606 -5.752 1.00 0.00 C ATOM 448 CG1 ILE A 111 -5.874 1.751 -5.131 1.00 0.00 C ATOM 449 CG2 ILE A 111 -6.961 -0.455 -4.688 1.00 0.00 C ATOM 450 CD1 ILE A 111 -4.514 1.227 -4.666 1.00 0.00 C ATOM 0 H ILE A 111 -5.686 1.996 -7.573 1.00 0.00 H new ATOM 0 HA ILE A 111 -4.970 -0.476 -6.502 1.00 0.00 H new ATOM 0 HB ILE A 111 -7.624 0.992 -6.138 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -5.738 2.550 -5.860 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -6.418 2.177 -4.288 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -7.533 -0.011 -3.873 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -7.533 -1.271 -5.130 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -6.018 -0.841 -4.301 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -3.941 2.043 -4.224 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -4.661 0.443 -3.923 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -3.969 0.822 -5.519 1.00 0.00 H new ATOM 462 N LEU A 112 -6.138 -2.198 -7.925 1.00 0.00 N ATOM 463 CA LEU A 112 -6.916 -3.280 -8.587 1.00 0.00 C ATOM 464 C LEU A 112 -7.807 -3.967 -7.549 1.00 0.00 C ATOM 465 O LEU A 112 -8.848 -4.505 -7.870 1.00 0.00 O ATOM 466 CB LEU A 112 -5.954 -4.303 -9.195 1.00 0.00 C ATOM 467 CG LEU A 112 -4.972 -4.782 -8.125 1.00 0.00 C ATOM 468 CD1 LEU A 112 -5.047 -6.305 -8.006 1.00 0.00 C ATOM 469 CD2 LEU A 112 -3.552 -4.372 -8.518 1.00 0.00 C ATOM 0 H LEU A 112 -5.150 -2.402 -7.776 1.00 0.00 H new ATOM 0 HA LEU A 112 -7.536 -2.855 -9.377 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.512 -5.149 -9.596 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -5.411 -3.856 -10.028 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.231 -4.330 -7.167 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -4.347 -6.645 -7.243 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -6.059 -6.599 -7.727 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -4.789 -6.758 -8.963 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -2.851 -4.713 -7.756 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -3.295 -4.824 -9.476 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -3.497 -3.287 -8.602 1.00 0.00 H new ATOM 481 N ASN A 113 -7.407 -3.947 -6.306 1.00 0.00 N ATOM 482 CA ASN A 113 -8.232 -4.595 -5.247 1.00 0.00 C ATOM 483 C ASN A 113 -7.780 -4.097 -3.872 1.00 0.00 C ATOM 484 O ASN A 113 -6.786 -3.411 -3.744 1.00 0.00 O ATOM 485 CB ASN A 113 -8.061 -6.114 -5.323 1.00 0.00 C ATOM 486 CG ASN A 113 -9.318 -6.740 -5.930 1.00 0.00 C ATOM 487 OD1 ASN A 113 -9.527 -6.675 -7.125 1.00 0.00 O ATOM 488 ND2 ASN A 113 -10.171 -7.348 -5.152 1.00 0.00 N ATOM 0 H ASN A 113 -6.545 -3.510 -5.979 1.00 0.00 H new ATOM 0 HA ASN A 113 -9.281 -4.341 -5.398 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -7.189 -6.363 -5.929 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -7.884 -6.521 -4.327 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -11.012 -7.768 -5.547 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -9.997 -7.403 -4.149 1.00 0.00 H new ATOM 495 N SER A 114 -8.505 -4.436 -2.841 1.00 0.00 N ATOM 496 CA SER A 114 -8.117 -3.982 -1.476 1.00 0.00 C ATOM 497 C SER A 114 -8.619 -4.992 -0.443 1.00 0.00 C ATOM 498 O SER A 114 -7.916 -5.906 -0.060 1.00 0.00 O ATOM 499 CB SER A 114 -8.745 -2.615 -1.199 1.00 0.00 C ATOM 500 OG SER A 114 -9.930 -2.478 -1.974 1.00 0.00 O ATOM 0 H SER A 114 -9.349 -5.007 -2.885 1.00 0.00 H new ATOM 0 HA SER A 114 -7.032 -3.904 -1.411 1.00 0.00 H new ATOM 0 HB2 SER A 114 -8.977 -2.516 -0.138 1.00 0.00 H new ATOM 0 HB3 SER A 114 -8.040 -1.821 -1.447 1.00 0.00 H new ATOM 0 HG SER A 114 -10.337 -1.604 -1.798 1.00 0.00 H new ATOM 506 N SER A 115 -9.833 -4.835 0.009 1.00 0.00 N ATOM 507 CA SER A 115 -10.386 -5.784 1.016 1.00 0.00 C ATOM 508 C SER A 115 -9.337 -6.051 2.098 1.00 0.00 C ATOM 509 O SER A 115 -9.324 -7.095 2.720 1.00 0.00 O ATOM 510 CB SER A 115 -10.756 -7.098 0.329 1.00 0.00 C ATOM 511 OG SER A 115 -11.269 -8.006 1.295 1.00 0.00 O ATOM 0 H SER A 115 -10.467 -4.089 -0.276 1.00 0.00 H new ATOM 0 HA SER A 115 -11.275 -5.350 1.473 1.00 0.00 H new ATOM 0 HB2 SER A 115 -11.499 -6.918 -0.448 1.00 0.00 H new ATOM 0 HB3 SER A 115 -9.880 -7.525 -0.159 1.00 0.00 H new ATOM 0 HG SER A 115 -10.725 -7.960 2.109 1.00 0.00 H new ATOM 517 N GLU A 116 -8.461 -5.113 2.329 1.00 0.00 N ATOM 518 CA GLU A 116 -7.418 -5.310 3.373 1.00 0.00 C ATOM 519 C GLU A 116 -7.460 -4.140 4.356 1.00 0.00 C ATOM 520 O GLU A 116 -8.311 -3.278 4.272 1.00 0.00 O ATOM 521 CB GLU A 116 -6.040 -5.376 2.713 1.00 0.00 C ATOM 522 CG GLU A 116 -5.832 -6.764 2.107 1.00 0.00 C ATOM 523 CD GLU A 116 -4.667 -7.462 2.814 1.00 0.00 C ATOM 524 OE1 GLU A 116 -4.760 -7.657 4.014 1.00 0.00 O ATOM 525 OE2 GLU A 116 -3.703 -7.788 2.142 1.00 0.00 O ATOM 0 H GLU A 116 -8.423 -4.219 1.840 1.00 0.00 H new ATOM 0 HA GLU A 116 -7.607 -6.241 3.907 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -5.959 -4.613 1.939 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -5.262 -5.168 3.448 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -6.741 -7.357 2.209 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -5.625 -6.679 1.040 1.00 0.00 H new ATOM 532 N GLY A 117 -6.551 -4.102 5.290 1.00 0.00 N ATOM 533 CA GLY A 117 -6.545 -2.986 6.276 1.00 0.00 C ATOM 534 C GLY A 117 -5.114 -2.487 6.481 1.00 0.00 C ATOM 535 O GLY A 117 -4.729 -2.118 7.572 1.00 0.00 O ATOM 0 H GLY A 117 -5.813 -4.795 5.413 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -7.177 -2.172 5.922 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -6.962 -3.324 7.225 1.00 0.00 H new ATOM 539 N ASP A 118 -4.322 -2.468 5.443 1.00 0.00 N ATOM 540 CA ASP A 118 -2.920 -1.987 5.594 1.00 0.00 C ATOM 541 C ASP A 118 -2.158 -2.155 4.277 1.00 0.00 C ATOM 542 O ASP A 118 -1.362 -1.316 3.902 1.00 0.00 O ATOM 543 CB ASP A 118 -2.219 -2.794 6.689 1.00 0.00 C ATOM 544 CG ASP A 118 -2.002 -1.910 7.918 1.00 0.00 C ATOM 545 OD1 ASP A 118 -2.720 -0.934 8.056 1.00 0.00 O ATOM 546 OD2 ASP A 118 -1.119 -2.223 8.700 1.00 0.00 O ATOM 0 H ASP A 118 -4.584 -2.763 4.502 1.00 0.00 H new ATOM 0 HA ASP A 118 -2.936 -0.931 5.865 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -2.820 -3.663 6.955 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -1.262 -3.168 6.324 1.00 0.00 H new ATOM 551 N TRP A 119 -2.379 -3.234 3.576 1.00 0.00 N ATOM 552 CA TRP A 119 -1.645 -3.441 2.295 1.00 0.00 C ATOM 553 C TRP A 119 -2.633 -3.655 1.145 1.00 0.00 C ATOM 554 O TRP A 119 -3.265 -4.688 1.039 1.00 0.00 O ATOM 555 CB TRP A 119 -0.740 -4.668 2.425 1.00 0.00 C ATOM 556 CG TRP A 119 0.458 -4.319 3.248 1.00 0.00 C ATOM 557 CD1 TRP A 119 0.622 -4.639 4.553 1.00 0.00 C ATOM 558 CD2 TRP A 119 1.658 -3.592 2.852 1.00 0.00 C ATOM 559 NE1 TRP A 119 1.846 -4.155 4.981 1.00 0.00 N ATOM 560 CE2 TRP A 119 2.520 -3.503 3.970 1.00 0.00 C ATOM 561 CE3 TRP A 119 2.076 -3.006 1.643 1.00 0.00 C ATOM 562 CZ2 TRP A 119 3.755 -2.858 3.891 1.00 0.00 C ATOM 563 CZ3 TRP A 119 3.318 -2.355 1.561 1.00 0.00 C ATOM 564 CH2 TRP A 119 4.156 -2.281 2.682 1.00 0.00 C ATOM 0 H TRP A 119 -3.031 -3.976 3.832 1.00 0.00 H new ATOM 0 HA TRP A 119 -1.044 -2.557 2.082 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -1.287 -5.489 2.889 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -0.429 -5.010 1.438 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -0.086 -5.183 5.161 1.00 0.00 H new ATOM 0 HE1 TRP A 119 2.206 -4.267 5.929 1.00 0.00 H new ATOM 0 HE3 TRP A 119 1.438 -3.057 0.773 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 4.397 -2.805 4.758 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 3.629 -1.909 0.628 1.00 0.00 H new ATOM 0 HH2 TRP A 119 5.110 -1.779 2.612 1.00 0.00 H new ATOM 575 N TRP A 120 -2.758 -2.689 0.275 1.00 0.00 N ATOM 576 CA TRP A 120 -3.691 -2.833 -0.879 1.00 0.00 C ATOM 577 C TRP A 120 -2.904 -3.308 -2.103 1.00 0.00 C ATOM 578 O TRP A 120 -1.691 -3.369 -2.083 1.00 0.00 O ATOM 579 CB TRP A 120 -4.327 -1.477 -1.196 1.00 0.00 C ATOM 580 CG TRP A 120 -5.503 -1.245 -0.305 1.00 0.00 C ATOM 581 CD1 TRP A 120 -5.968 -2.120 0.616 1.00 0.00 C ATOM 582 CD2 TRP A 120 -6.368 -0.076 -0.234 1.00 0.00 C ATOM 583 NE1 TRP A 120 -7.066 -1.562 1.248 1.00 0.00 N ATOM 584 CE2 TRP A 120 -7.351 -0.302 0.757 1.00 0.00 C ATOM 585 CE3 TRP A 120 -6.395 1.146 -0.928 1.00 0.00 C ATOM 586 CZ2 TRP A 120 -8.328 0.651 1.050 1.00 0.00 C ATOM 587 CZ3 TRP A 120 -7.375 2.109 -0.637 1.00 0.00 C ATOM 588 CH2 TRP A 120 -8.339 1.861 0.350 1.00 0.00 C ATOM 0 H TRP A 120 -2.253 -1.804 0.314 1.00 0.00 H new ATOM 0 HA TRP A 120 -4.469 -3.555 -0.629 1.00 0.00 H new ATOM 0 HB2 TRP A 120 -3.594 -0.681 -1.060 1.00 0.00 H new ATOM 0 HB3 TRP A 120 -4.639 -1.447 -2.240 1.00 0.00 H new ATOM 0 HD1 TRP A 120 -5.551 -3.094 0.824 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -7.599 -2.024 1.985 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -5.657 1.346 -1.691 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -9.069 0.455 1.811 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -7.386 3.045 -1.176 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -9.090 2.605 0.570 1.00 0.00 H new ATOM 599 N GLU A 121 -3.580 -3.632 -3.171 1.00 0.00 N ATOM 600 CA GLU A 121 -2.863 -4.091 -4.396 1.00 0.00 C ATOM 601 C GLU A 121 -3.120 -3.095 -5.526 1.00 0.00 C ATOM 602 O GLU A 121 -4.238 -2.916 -5.966 1.00 0.00 O ATOM 603 CB GLU A 121 -3.366 -5.478 -4.815 1.00 0.00 C ATOM 604 CG GLU A 121 -4.777 -5.712 -4.272 1.00 0.00 C ATOM 605 CD GLU A 121 -4.694 -6.165 -2.813 1.00 0.00 C ATOM 606 OE1 GLU A 121 -4.495 -7.348 -2.592 1.00 0.00 O ATOM 607 OE2 GLU A 121 -4.829 -5.322 -1.943 1.00 0.00 O ATOM 0 H GLU A 121 -4.596 -3.599 -3.249 1.00 0.00 H new ATOM 0 HA GLU A 121 -1.795 -4.151 -4.187 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -3.368 -5.559 -5.902 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -2.691 -6.247 -4.439 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -5.363 -4.796 -4.347 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -5.288 -6.467 -4.870 1.00 0.00 H new ATOM 614 N ALA A 122 -2.095 -2.440 -5.999 1.00 0.00 N ATOM 615 CA ALA A 122 -2.288 -1.453 -7.098 1.00 0.00 C ATOM 616 C ALA A 122 -1.304 -1.742 -8.232 1.00 0.00 C ATOM 617 O ALA A 122 -0.222 -2.254 -8.017 1.00 0.00 O ATOM 618 CB ALA A 122 -2.045 -0.041 -6.562 1.00 0.00 C ATOM 0 H ALA A 122 -1.134 -2.546 -5.673 1.00 0.00 H new ATOM 0 HA ALA A 122 -3.307 -1.531 -7.477 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -2.186 0.682 -7.365 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -2.749 0.169 -5.757 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -1.026 0.033 -6.181 1.00 0.00 H new ATOM 624 N ARG A 123 -1.673 -1.413 -9.440 1.00 0.00 N ATOM 625 CA ARG A 123 -0.764 -1.661 -10.594 1.00 0.00 C ATOM 626 C ARG A 123 -0.097 -0.345 -11.001 1.00 0.00 C ATOM 627 O ARG A 123 -0.728 0.691 -11.052 1.00 0.00 O ATOM 628 CB ARG A 123 -1.575 -2.210 -11.771 1.00 0.00 C ATOM 629 CG ARG A 123 -0.737 -2.145 -13.050 1.00 0.00 C ATOM 630 CD ARG A 123 -1.555 -2.686 -14.223 1.00 0.00 C ATOM 631 NE ARG A 123 -0.887 -3.898 -14.777 1.00 0.00 N ATOM 632 CZ ARG A 123 -1.600 -4.938 -15.116 1.00 0.00 C ATOM 633 NH1 ARG A 123 -2.453 -5.449 -14.271 1.00 0.00 N ATOM 634 NH2 ARG A 123 -1.459 -5.465 -16.302 1.00 0.00 N ATOM 0 H ARG A 123 -2.567 -0.982 -9.677 1.00 0.00 H new ATOM 0 HA ARG A 123 -0.000 -2.386 -10.312 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -1.872 -3.240 -11.571 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -2.491 -1.632 -11.895 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -0.434 -1.117 -13.247 1.00 0.00 H new ATOM 0 HG3 ARG A 123 0.176 -2.728 -12.930 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -2.564 -2.932 -13.893 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -1.649 -1.924 -14.997 1.00 0.00 H new ATOM 0 HE ARG A 123 0.126 -3.915 -14.891 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -2.563 -5.036 -13.345 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -3.010 -6.261 -14.537 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -0.793 -5.064 -16.962 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -2.015 -6.277 -16.568 1.00 0.00 H new ATOM 648 N SER A 124 1.176 -0.375 -11.290 1.00 0.00 N ATOM 649 CA SER A 124 1.877 0.878 -11.690 1.00 0.00 C ATOM 650 C SER A 124 1.568 1.192 -13.156 1.00 0.00 C ATOM 651 O SER A 124 1.939 0.458 -14.050 1.00 0.00 O ATOM 652 CB SER A 124 3.386 0.695 -11.514 1.00 0.00 C ATOM 653 OG SER A 124 3.951 1.902 -11.018 1.00 0.00 O ATOM 0 H SER A 124 1.759 -1.211 -11.266 1.00 0.00 H new ATOM 0 HA SER A 124 1.535 1.702 -11.064 1.00 0.00 H new ATOM 0 HB2 SER A 124 3.587 -0.124 -10.824 1.00 0.00 H new ATOM 0 HB3 SER A 124 3.845 0.429 -12.466 1.00 0.00 H new ATOM 0 HG SER A 124 4.900 1.941 -11.257 1.00 0.00 H new ATOM 659 N LEU A 125 0.894 2.281 -13.410 1.00 0.00 N ATOM 660 CA LEU A 125 0.564 2.642 -14.819 1.00 0.00 C ATOM 661 C LEU A 125 1.799 3.243 -15.495 1.00 0.00 C ATOM 662 O LEU A 125 1.799 3.518 -16.678 1.00 0.00 O ATOM 663 CB LEU A 125 -0.570 3.670 -14.832 1.00 0.00 C ATOM 664 CG LEU A 125 -1.890 2.986 -14.471 1.00 0.00 C ATOM 665 CD1 LEU A 125 -2.748 3.939 -13.636 1.00 0.00 C ATOM 666 CD2 LEU A 125 -2.640 2.619 -15.753 1.00 0.00 C ATOM 0 H LEU A 125 0.558 2.936 -12.704 1.00 0.00 H new ATOM 0 HA LEU A 125 0.251 1.747 -15.357 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -0.357 4.469 -14.122 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -0.645 4.130 -15.817 1.00 0.00 H new ATOM 0 HG LEU A 125 -1.685 2.083 -13.896 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -3.688 3.451 -13.379 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -2.215 4.203 -12.723 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -2.953 4.842 -14.211 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -3.581 2.132 -15.497 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -2.844 3.523 -16.327 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -2.030 1.941 -16.350 1.00 0.00 H new ATOM 678 N THR A 126 2.854 3.448 -14.753 1.00 0.00 N ATOM 679 CA THR A 126 4.087 4.031 -15.353 1.00 0.00 C ATOM 680 C THR A 126 5.191 2.972 -15.373 1.00 0.00 C ATOM 681 O THR A 126 5.753 2.667 -16.407 1.00 0.00 O ATOM 682 CB THR A 126 4.544 5.230 -14.520 1.00 0.00 C ATOM 683 OG1 THR A 126 3.410 5.983 -14.116 1.00 0.00 O ATOM 684 CG2 THR A 126 5.471 6.112 -15.359 1.00 0.00 C ATOM 0 H THR A 126 2.915 3.237 -13.757 1.00 0.00 H new ATOM 0 HA THR A 126 3.877 4.358 -16.371 1.00 0.00 H new ATOM 0 HB THR A 126 5.080 4.878 -13.639 1.00 0.00 H new ATOM 0 HG1 THR A 126 3.701 6.751 -13.581 1.00 0.00 H new ATOM 0 HG21 THR A 126 5.796 6.966 -14.765 1.00 0.00 H new ATOM 0 HG22 THR A 126 6.341 5.533 -15.670 1.00 0.00 H new ATOM 0 HG23 THR A 126 4.937 6.466 -16.241 1.00 0.00 H new ATOM 692 N THR A 127 5.506 2.407 -14.239 1.00 0.00 N ATOM 693 CA THR A 127 6.573 1.368 -14.196 1.00 0.00 C ATOM 694 C THR A 127 5.973 0.006 -14.547 1.00 0.00 C ATOM 695 O THR A 127 6.681 -0.959 -14.757 1.00 0.00 O ATOM 696 CB THR A 127 7.177 1.313 -12.791 1.00 0.00 C ATOM 697 OG1 THR A 127 6.368 2.065 -11.897 1.00 0.00 O ATOM 698 CG2 THR A 127 8.589 1.900 -12.818 1.00 0.00 C ATOM 0 H THR A 127 5.071 2.620 -13.341 1.00 0.00 H new ATOM 0 HA THR A 127 7.352 1.618 -14.916 1.00 0.00 H new ATOM 0 HB THR A 127 7.222 0.277 -12.456 1.00 0.00 H new ATOM 0 HG1 THR A 127 6.754 2.028 -10.997 1.00 0.00 H new ATOM 0 HG21 THR A 127 9.019 1.861 -11.817 1.00 0.00 H new ATOM 0 HG22 THR A 127 9.210 1.322 -13.503 1.00 0.00 H new ATOM 0 HG23 THR A 127 8.546 2.936 -13.154 1.00 0.00 H new ATOM 706 N GLY A 128 4.673 -0.082 -14.613 1.00 0.00 N ATOM 707 CA GLY A 128 4.031 -1.382 -14.952 1.00 0.00 C ATOM 708 C GLY A 128 4.307 -2.394 -13.839 1.00 0.00 C ATOM 709 O GLY A 128 4.048 -3.573 -13.980 1.00 0.00 O ATOM 0 H GLY A 128 4.028 0.691 -14.447 1.00 0.00 H new ATOM 0 HA2 GLY A 128 2.957 -1.247 -15.077 1.00 0.00 H new ATOM 0 HA3 GLY A 128 4.418 -1.754 -15.901 1.00 0.00 H new ATOM 713 N GLU A 129 4.831 -1.943 -12.732 1.00 0.00 N ATOM 714 CA GLU A 129 5.124 -2.880 -11.611 1.00 0.00 C ATOM 715 C GLU A 129 3.866 -3.069 -10.760 1.00 0.00 C ATOM 716 O GLU A 129 3.411 -2.159 -10.095 1.00 0.00 O ATOM 717 CB GLU A 129 6.244 -2.304 -10.744 1.00 0.00 C ATOM 718 CG GLU A 129 7.594 -2.568 -11.414 1.00 0.00 C ATOM 719 CD GLU A 129 7.907 -4.064 -11.366 1.00 0.00 C ATOM 720 OE1 GLU A 129 7.284 -4.755 -10.576 1.00 0.00 O ATOM 721 OE2 GLU A 129 8.764 -4.495 -12.119 1.00 0.00 O ATOM 0 H GLU A 129 5.069 -0.967 -12.556 1.00 0.00 H new ATOM 0 HA GLU A 129 5.436 -3.843 -12.016 1.00 0.00 H new ATOM 0 HB2 GLU A 129 6.098 -1.233 -10.606 1.00 0.00 H new ATOM 0 HB3 GLU A 129 6.222 -2.759 -9.754 1.00 0.00 H new ATOM 0 HG2 GLU A 129 7.572 -2.224 -12.448 1.00 0.00 H new ATOM 0 HG3 GLU A 129 8.379 -2.006 -10.908 1.00 0.00 H new ATOM 728 N THR A 130 3.304 -4.246 -10.773 1.00 0.00 N ATOM 729 CA THR A 130 2.079 -4.497 -9.963 1.00 0.00 C ATOM 730 C THR A 130 2.473 -5.162 -8.643 1.00 0.00 C ATOM 731 O THR A 130 3.262 -6.087 -8.616 1.00 0.00 O ATOM 732 CB THR A 130 1.136 -5.421 -10.739 1.00 0.00 C ATOM 733 OG1 THR A 130 0.689 -4.758 -11.914 1.00 0.00 O ATOM 734 CG2 THR A 130 -0.066 -5.779 -9.864 1.00 0.00 C ATOM 0 H THR A 130 3.640 -5.045 -11.310 1.00 0.00 H new ATOM 0 HA THR A 130 1.575 -3.552 -9.759 1.00 0.00 H new ATOM 0 HB THR A 130 1.665 -6.333 -11.014 1.00 0.00 H new ATOM 0 HG1 THR A 130 0.087 -5.348 -12.413 1.00 0.00 H new ATOM 0 HG21 THR A 130 -0.736 -6.437 -10.418 1.00 0.00 H new ATOM 0 HG22 THR A 130 0.278 -6.287 -8.963 1.00 0.00 H new ATOM 0 HG23 THR A 130 -0.598 -4.869 -9.587 1.00 0.00 H new ATOM 742 N GLY A 131 1.935 -4.701 -7.546 1.00 0.00 N ATOM 743 CA GLY A 131 2.288 -5.314 -6.233 1.00 0.00 C ATOM 744 C GLY A 131 1.335 -4.802 -5.151 1.00 0.00 C ATOM 745 O GLY A 131 0.246 -4.343 -5.434 1.00 0.00 O ATOM 0 H GLY A 131 1.269 -3.930 -7.502 1.00 0.00 H new ATOM 0 HA2 GLY A 131 2.227 -6.400 -6.300 1.00 0.00 H new ATOM 0 HA3 GLY A 131 3.317 -5.068 -5.971 1.00 0.00 H new ATOM 749 N TYR A 132 1.735 -4.881 -3.909 1.00 0.00 N ATOM 750 CA TYR A 132 0.851 -4.401 -2.810 1.00 0.00 C ATOM 751 C TYR A 132 1.417 -3.105 -2.221 1.00 0.00 C ATOM 752 O TYR A 132 2.426 -3.111 -1.543 1.00 0.00 O ATOM 753 CB TYR A 132 0.780 -5.461 -1.706 1.00 0.00 C ATOM 754 CG TYR A 132 0.188 -6.738 -2.253 1.00 0.00 C ATOM 755 CD1 TYR A 132 -1.127 -6.754 -2.733 1.00 0.00 C ATOM 756 CD2 TYR A 132 0.955 -7.908 -2.274 1.00 0.00 C ATOM 757 CE1 TYR A 132 -1.674 -7.941 -3.233 1.00 0.00 C ATOM 758 CE2 TYR A 132 0.409 -9.094 -2.775 1.00 0.00 C ATOM 759 CZ TYR A 132 -0.906 -9.111 -3.255 1.00 0.00 C ATOM 760 OH TYR A 132 -1.446 -10.282 -3.748 1.00 0.00 O ATOM 0 H TYR A 132 2.635 -5.257 -3.610 1.00 0.00 H new ATOM 0 HA TYR A 132 -0.146 -4.218 -3.210 1.00 0.00 H new ATOM 0 HB2 TYR A 132 1.777 -5.653 -1.310 1.00 0.00 H new ATOM 0 HB3 TYR A 132 0.173 -5.095 -0.878 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -1.719 -5.851 -2.717 1.00 0.00 H new ATOM 0 HD2 TYR A 132 1.969 -7.895 -1.903 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -2.689 -7.954 -3.602 1.00 0.00 H new ATOM 0 HE2 TYR A 132 1.002 -9.997 -2.792 1.00 0.00 H new ATOM 0 HH TYR A 132 -0.780 -10.998 -3.692 1.00 0.00 H new ATOM 770 N ILE A 133 0.771 -1.997 -2.462 1.00 0.00 N ATOM 771 CA ILE A 133 1.269 -0.708 -1.899 1.00 0.00 C ATOM 772 C ILE A 133 0.499 -0.392 -0.614 1.00 0.00 C ATOM 773 O ILE A 133 -0.618 -0.834 -0.444 1.00 0.00 O ATOM 774 CB ILE A 133 1.057 0.426 -2.907 1.00 0.00 C ATOM 775 CG1 ILE A 133 -0.428 0.523 -3.269 1.00 0.00 C ATOM 776 CG2 ILE A 133 1.875 0.153 -4.172 1.00 0.00 C ATOM 777 CD1 ILE A 133 -1.067 1.676 -2.491 1.00 0.00 C ATOM 0 H ILE A 133 -0.078 -1.928 -3.023 1.00 0.00 H new ATOM 0 HA ILE A 133 2.334 -0.798 -1.685 1.00 0.00 H new ATOM 0 HB ILE A 133 1.383 1.366 -2.462 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -0.542 0.685 -4.341 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -0.933 -0.414 -3.033 1.00 0.00 H new ATOM 0 HG21 ILE A 133 1.721 0.962 -4.886 1.00 0.00 H new ATOM 0 HG22 ILE A 133 2.933 0.092 -3.915 1.00 0.00 H new ATOM 0 HG23 ILE A 133 1.554 -0.789 -4.616 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -2.124 1.746 -2.748 1.00 0.00 H new ATOM 0 HD12 ILE A 133 -0.965 1.494 -1.421 1.00 0.00 H new ATOM 0 HD13 ILE A 133 -0.568 2.610 -2.749 1.00 0.00 H new ATOM 789 N PRO A 134 1.121 0.363 0.254 1.00 0.00 N ATOM 790 CA PRO A 134 0.508 0.746 1.537 1.00 0.00 C ATOM 791 C PRO A 134 -0.795 1.512 1.294 1.00 0.00 C ATOM 792 O PRO A 134 -0.825 2.500 0.588 1.00 0.00 O ATOM 793 CB PRO A 134 1.549 1.645 2.218 1.00 0.00 C ATOM 794 CG PRO A 134 2.771 1.752 1.270 1.00 0.00 C ATOM 795 CD PRO A 134 2.476 0.896 0.028 1.00 0.00 C ATOM 0 HA PRO A 134 0.253 -0.118 2.150 1.00 0.00 H new ATOM 0 HB2 PRO A 134 1.131 2.632 2.416 1.00 0.00 H new ATOM 0 HB3 PRO A 134 1.846 1.226 3.179 1.00 0.00 H new ATOM 0 HG2 PRO A 134 2.945 2.790 0.986 1.00 0.00 H new ATOM 0 HG3 PRO A 134 3.674 1.402 1.770 1.00 0.00 H new ATOM 0 HD2 PRO A 134 2.520 1.492 -0.883 1.00 0.00 H new ATOM 0 HD3 PRO A 134 3.204 0.093 -0.081 1.00 0.00 H new ATOM 803 N SER A 135 -1.873 1.061 1.875 1.00 0.00 N ATOM 804 CA SER A 135 -3.173 1.761 1.681 1.00 0.00 C ATOM 805 C SER A 135 -3.096 3.165 2.285 1.00 0.00 C ATOM 806 O SER A 135 -3.601 4.119 1.729 1.00 0.00 O ATOM 807 CB SER A 135 -4.285 0.969 2.371 1.00 0.00 C ATOM 808 OG SER A 135 -4.094 1.019 3.779 1.00 0.00 O ATOM 0 H SER A 135 -1.909 0.238 2.476 1.00 0.00 H new ATOM 0 HA SER A 135 -3.387 1.838 0.615 1.00 0.00 H new ATOM 0 HB2 SER A 135 -5.258 1.384 2.110 1.00 0.00 H new ATOM 0 HB3 SER A 135 -4.277 -0.066 2.028 1.00 0.00 H new ATOM 0 HG SER A 135 -4.806 0.514 4.224 1.00 0.00 H new ATOM 814 N ASN A 136 -2.467 3.298 3.421 1.00 0.00 N ATOM 815 CA ASN A 136 -2.359 4.641 4.060 1.00 0.00 C ATOM 816 C ASN A 136 -1.366 5.504 3.279 1.00 0.00 C ATOM 817 O ASN A 136 -1.163 6.663 3.584 1.00 0.00 O ATOM 818 CB ASN A 136 -1.870 4.479 5.500 1.00 0.00 C ATOM 819 CG ASN A 136 -2.916 3.717 6.313 1.00 0.00 C ATOM 820 OD1 ASN A 136 -3.220 2.578 6.018 1.00 0.00 O ATOM 821 ND2 ASN A 136 -3.486 4.300 7.332 1.00 0.00 N ATOM 0 H ASN A 136 -2.024 2.536 3.934 1.00 0.00 H new ATOM 0 HA ASN A 136 -3.336 5.123 4.057 1.00 0.00 H new ATOM 0 HB2 ASN A 136 -0.921 3.942 5.515 1.00 0.00 H new ATOM 0 HB3 ASN A 136 -1.690 5.457 5.946 1.00 0.00 H new ATOM 0 HD21 ASN A 136 -4.186 3.800 7.880 1.00 0.00 H new ATOM 0 HD22 ASN A 136 -3.232 5.256 7.581 1.00 0.00 H new ATOM 828 N TYR A 137 -0.745 4.951 2.273 1.00 0.00 N ATOM 829 CA TYR A 137 0.234 5.741 1.475 1.00 0.00 C ATOM 830 C TYR A 137 -0.422 6.208 0.175 1.00 0.00 C ATOM 831 O TYR A 137 0.220 6.785 -0.678 1.00 0.00 O ATOM 832 CB TYR A 137 1.444 4.868 1.137 1.00 0.00 C ATOM 833 CG TYR A 137 2.439 4.911 2.273 1.00 0.00 C ATOM 834 CD1 TYR A 137 1.997 4.791 3.597 1.00 0.00 C ATOM 835 CD2 TYR A 137 3.804 5.067 2.003 1.00 0.00 C ATOM 836 CE1 TYR A 137 2.920 4.827 4.649 1.00 0.00 C ATOM 837 CE2 TYR A 137 4.727 5.104 3.055 1.00 0.00 C ATOM 838 CZ TYR A 137 4.284 4.984 4.378 1.00 0.00 C ATOM 839 OH TYR A 137 5.193 5.019 5.414 1.00 0.00 O ATOM 0 H TYR A 137 -0.874 3.986 1.969 1.00 0.00 H new ATOM 0 HA TYR A 137 0.555 6.605 2.057 1.00 0.00 H new ATOM 0 HB2 TYR A 137 1.125 3.841 0.960 1.00 0.00 H new ATOM 0 HB3 TYR A 137 1.912 5.220 0.218 1.00 0.00 H new ATOM 0 HD1 TYR A 137 0.944 4.671 3.806 1.00 0.00 H new ATOM 0 HD2 TYR A 137 4.145 5.159 0.982 1.00 0.00 H new ATOM 0 HE1 TYR A 137 2.579 4.734 5.670 1.00 0.00 H new ATOM 0 HE2 TYR A 137 5.780 5.225 2.846 1.00 0.00 H new ATOM 0 HH TYR A 137 6.097 5.132 5.052 1.00 0.00 H new ATOM 849 N VAL A 138 -1.693 5.962 0.010 1.00 0.00 N ATOM 850 CA VAL A 138 -2.368 6.392 -1.246 1.00 0.00 C ATOM 851 C VAL A 138 -3.740 6.988 -0.928 1.00 0.00 C ATOM 852 O VAL A 138 -4.359 6.662 0.066 1.00 0.00 O ATOM 853 CB VAL A 138 -2.544 5.185 -2.169 1.00 0.00 C ATOM 854 CG1 VAL A 138 -1.210 4.851 -2.835 1.00 0.00 C ATOM 855 CG2 VAL A 138 -3.020 3.984 -1.348 1.00 0.00 C ATOM 0 H VAL A 138 -2.289 5.485 0.686 1.00 0.00 H new ATOM 0 HA VAL A 138 -1.755 7.147 -1.738 1.00 0.00 H new ATOM 0 HB VAL A 138 -3.282 5.418 -2.936 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -1.337 3.991 -3.492 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -0.870 5.707 -3.419 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -0.470 4.617 -2.070 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -3.146 3.122 -2.003 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -2.281 3.752 -0.581 1.00 0.00 H new ATOM 0 HG23 VAL A 138 -3.972 4.222 -0.874 1.00 0.00 H new ATOM 865 N ALA A 139 -4.220 7.857 -1.776 1.00 0.00 N ATOM 866 CA ALA A 139 -5.555 8.478 -1.545 1.00 0.00 C ATOM 867 C ALA A 139 -6.248 8.687 -2.895 1.00 0.00 C ATOM 868 O ALA A 139 -5.591 8.821 -3.908 1.00 0.00 O ATOM 869 CB ALA A 139 -5.379 9.827 -0.846 1.00 0.00 C ATOM 0 H ALA A 139 -3.742 8.165 -2.623 1.00 0.00 H new ATOM 0 HA ALA A 139 -6.161 7.825 -0.917 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -6.356 10.280 -0.678 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -4.878 9.678 0.111 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -4.777 10.485 -1.472 1.00 0.00 H new ATOM 875 N PRO A 140 -7.556 8.705 -2.872 1.00 0.00 N ATOM 876 CA PRO A 140 -8.354 8.893 -4.096 1.00 0.00 C ATOM 877 C PRO A 140 -8.035 10.250 -4.730 1.00 0.00 C ATOM 878 O PRO A 140 -8.131 11.280 -4.094 1.00 0.00 O ATOM 879 CB PRO A 140 -9.815 8.844 -3.625 1.00 0.00 C ATOM 880 CG PRO A 140 -9.807 8.624 -2.090 1.00 0.00 C ATOM 881 CD PRO A 140 -8.341 8.543 -1.635 1.00 0.00 C ATOM 0 HA PRO A 140 -8.144 8.135 -4.851 1.00 0.00 H new ATOM 0 HB2 PRO A 140 -10.329 9.772 -3.876 1.00 0.00 H new ATOM 0 HB3 PRO A 140 -10.351 8.037 -4.124 1.00 0.00 H new ATOM 0 HG2 PRO A 140 -10.319 9.442 -1.584 1.00 0.00 H new ATOM 0 HG3 PRO A 140 -10.338 7.708 -1.833 1.00 0.00 H new ATOM 0 HD2 PRO A 140 -8.107 9.325 -0.912 1.00 0.00 H new ATOM 0 HD3 PRO A 140 -8.128 7.589 -1.153 1.00 0.00 H new ATOM 889 N VAL A 141 -7.652 10.257 -5.977 1.00 0.00 N ATOM 890 CA VAL A 141 -7.325 11.546 -6.648 1.00 0.00 C ATOM 891 C VAL A 141 -8.600 12.376 -6.806 1.00 0.00 C ATOM 892 O VAL A 141 -9.662 11.783 -6.902 1.00 0.00 O ATOM 893 CB VAL A 141 -6.724 11.266 -8.026 1.00 0.00 C ATOM 894 CG1 VAL A 141 -7.691 10.405 -8.839 1.00 0.00 C ATOM 895 CG2 VAL A 141 -6.483 12.589 -8.756 1.00 0.00 C ATOM 896 OXT VAL A 141 -8.492 13.591 -6.830 1.00 0.00 O ATOM 0 H VAL A 141 -7.551 9.426 -6.560 1.00 0.00 H new ATOM 0 HA VAL A 141 -6.605 12.098 -6.044 1.00 0.00 H new ATOM 0 HB VAL A 141 -5.778 10.738 -7.909 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -7.263 10.205 -9.821 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -7.863 9.462 -8.320 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -8.637 10.933 -8.956 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -6.055 12.390 -9.738 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -7.429 13.118 -8.873 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -5.793 13.204 -8.177 1.00 0.00 H new TER 906 VAL A 141