USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 405 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 111 CYS SG : rot 134:sc= 0.225 USER MOD Set 1.2: A 119 HIS : no HD1:sc= -3.3 K(o=-6.3,f=-9.4!) USER MOD Set 1.3: A 122 MET CE :methyl 165:sc= -5.75! (180deg=-5.92!) USER MOD Set 1.4: A 134 CYS SG : rot 79:sc= 0.729! USER MOD Set 1.5: A 137 CYS SG : rot -22:sc= 0.338! USER MOD Set 1.6: A 139 SER OG : rot 56:sc= 1.28 USER MOD Set 1.7: A 141 TYR OH : rot 59:sc= 0.169 USER MOD Set 2.1: A 125 LYS NZ :NH3+ 171:sc= 1.96 (180deg=0.496) USER MOD Set 2.2: A 127 THR OG1 : rot 119:sc= 2.16 USER MOD Single : A 94 MET CE :methyl -175:sc= 0 (180deg=-0.0269) USER MOD Single : A 95 LYS NZ :NH3+ 162:sc= 1.23 (180deg=1.13) USER MOD Single : A 102 SER OG : rot -147:sc= 1.16 USER MOD Single : A 103 TYR OH : rot 176:sc= 1.23 USER MOD Single : A 106 TYR OH : rot -38:sc= 1.26 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0.304 USER MOD Single : A 118 SER OG : rot -9:sc= 0.723 USER MOD Single : A 120 THR OG1 : rot -115:sc= 0.0954 USER MOD Single : A 129 ASN : amide:sc= -0.159 X(o=-0.16,f=0) USER MOD Single : A 142 LYS NZ :NH3+ -159:sc= 1.08 (180deg=0.789) USER MOD Single : A 144 ASN : amide:sc= -3.05! C(o=-3.1!,f=-7.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 94 -5.759 -7.987 -0.751 1.00 0.00 N ATOM 2 CA MET A 94 -6.398 -7.724 0.541 1.00 0.00 C ATOM 3 C MET A 94 -6.235 -8.730 1.677 1.00 0.00 C ATOM 4 O MET A 94 -6.807 -8.573 2.751 1.00 0.00 O ATOM 5 CB MET A 94 -7.893 -7.541 0.283 1.00 0.00 C ATOM 6 CG MET A 94 -8.205 -6.597 -0.880 1.00 0.00 C ATOM 7 SD MET A 94 -9.694 -5.579 -0.727 1.00 0.00 S ATOM 8 CE MET A 94 -10.939 -6.869 -0.463 1.00 0.00 C ATOM 0 HA MET A 94 -5.867 -6.848 0.914 1.00 0.00 H new ATOM 0 HB2 MET A 94 -8.339 -8.514 0.079 1.00 0.00 H new ATOM 0 HB3 MET A 94 -8.365 -7.157 1.188 1.00 0.00 H new ATOM 0 HG2 MET A 94 -7.352 -5.933 -1.017 1.00 0.00 H new ATOM 0 HG3 MET A 94 -8.293 -7.194 -1.788 1.00 0.00 H new ATOM 0 HE1 MET A 94 -11.931 -6.418 -0.437 1.00 0.00 H new ATOM 0 HE2 MET A 94 -10.891 -7.593 -1.276 1.00 0.00 H new ATOM 0 HE3 MET A 94 -10.745 -7.373 0.484 1.00 0.00 H new ATOM 18 N LYS A 95 -5.444 -9.760 1.456 1.00 0.00 N ATOM 19 CA LYS A 95 -4.994 -10.641 2.518 1.00 0.00 C ATOM 20 C LYS A 95 -3.936 -9.972 3.417 1.00 0.00 C ATOM 21 O LYS A 95 -4.146 -9.800 4.618 1.00 0.00 O ATOM 22 CB LYS A 95 -4.509 -11.953 1.872 1.00 0.00 C ATOM 23 CG LYS A 95 -3.570 -11.813 0.647 1.00 0.00 C ATOM 24 CD LYS A 95 -2.202 -12.394 1.004 1.00 0.00 C ATOM 25 CE LYS A 95 -1.090 -12.390 -0.050 1.00 0.00 C ATOM 26 NZ LYS A 95 0.215 -12.732 0.589 1.00 0.00 N ATOM 0 H LYS A 95 -5.093 -10.012 0.532 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.818 -10.867 3.195 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -3.992 -12.538 2.633 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -5.384 -12.528 1.568 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -3.990 -12.337 -0.212 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -3.472 -10.765 0.364 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -1.832 -11.851 1.874 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -2.355 -13.427 1.315 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -1.320 -13.109 -0.836 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -1.028 -11.410 -0.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.893 -13.026 -0.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 0.585 -11.899 1.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 0.077 -13.510 1.265 1.00 0.00 H new ATOM 40 N ASP A 96 -2.807 -9.622 2.799 1.00 0.00 N ATOM 41 CA ASP A 96 -1.453 -9.428 3.353 1.00 0.00 C ATOM 42 C ASP A 96 -0.424 -9.330 2.184 1.00 0.00 C ATOM 43 O ASP A 96 0.225 -10.303 1.807 1.00 0.00 O ATOM 44 CB ASP A 96 -1.168 -10.554 4.351 1.00 0.00 C ATOM 45 CG ASP A 96 0.260 -10.563 4.881 1.00 0.00 C ATOM 46 OD1 ASP A 96 0.565 -9.641 5.666 1.00 0.00 O ATOM 47 OD2 ASP A 96 0.997 -11.489 4.472 1.00 0.00 O ATOM 0 H ASP A 96 -2.812 -9.448 1.794 1.00 0.00 H new ATOM 0 HA ASP A 96 -1.369 -8.491 3.904 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -1.856 -10.464 5.191 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -1.373 -11.511 3.872 1.00 0.00 H new ATOM 52 N PRO A 97 -0.407 -8.187 1.480 1.00 0.00 N ATOM 53 CA PRO A 97 0.317 -7.935 0.228 1.00 0.00 C ATOM 54 C PRO A 97 1.721 -7.346 0.402 1.00 0.00 C ATOM 55 O PRO A 97 2.683 -7.789 -0.217 1.00 0.00 O ATOM 56 CB PRO A 97 -0.552 -6.885 -0.467 1.00 0.00 C ATOM 57 CG PRO A 97 -1.233 -6.121 0.671 1.00 0.00 C ATOM 58 CD PRO A 97 -1.445 -7.207 1.686 1.00 0.00 C ATOM 0 HA PRO A 97 0.468 -8.873 -0.306 1.00 0.00 H new ATOM 0 HB2 PRO A 97 0.051 -6.219 -1.084 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -1.286 -7.352 -1.124 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -0.606 -5.317 1.057 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -2.173 -5.668 0.355 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -1.399 -6.803 2.698 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -2.430 -7.658 1.568 1.00 0.00 H new ATOM 66 N ILE A 98 1.770 -6.273 1.183 1.00 0.00 N ATOM 67 CA ILE A 98 2.833 -5.320 1.445 1.00 0.00 C ATOM 68 C ILE A 98 2.589 -4.873 2.875 1.00 0.00 C ATOM 69 O ILE A 98 1.440 -4.693 3.282 1.00 0.00 O ATOM 70 CB ILE A 98 2.758 -4.063 0.553 1.00 0.00 C ATOM 71 CG1 ILE A 98 2.350 -4.252 -0.936 1.00 0.00 C ATOM 72 CG2 ILE A 98 4.088 -3.302 0.742 1.00 0.00 C ATOM 73 CD1 ILE A 98 3.489 -4.375 -1.943 1.00 0.00 C ATOM 0 H ILE A 98 0.942 -6.020 1.723 1.00 0.00 H new ATOM 0 HA ILE A 98 3.801 -5.785 1.256 1.00 0.00 H new ATOM 0 HB ILE A 98 1.903 -3.478 0.892 1.00 0.00 H new ATOM 0 HG12 ILE A 98 1.732 -5.147 -1.009 1.00 0.00 H new ATOM 0 HG13 ILE A 98 1.726 -3.408 -1.229 1.00 0.00 H new ATOM 0 HG21 ILE A 98 4.082 -2.401 0.128 1.00 0.00 H new ATOM 0 HG22 ILE A 98 4.204 -3.026 1.790 1.00 0.00 H new ATOM 0 HG23 ILE A 98 4.919 -3.941 0.441 1.00 0.00 H new ATOM 0 HD11 ILE A 98 3.077 -4.503 -2.944 1.00 0.00 H new ATOM 0 HD12 ILE A 98 4.099 -3.472 -1.914 1.00 0.00 H new ATOM 0 HD13 ILE A 98 4.105 -5.238 -1.691 1.00 0.00 H new ATOM 85 N ILE A 99 3.661 -4.653 3.613 1.00 0.00 N ATOM 86 CA ILE A 99 3.620 -4.281 5.017 1.00 0.00 C ATOM 87 C ILE A 99 4.149 -2.875 5.195 1.00 0.00 C ATOM 88 O ILE A 99 5.230 -2.537 4.722 1.00 0.00 O ATOM 89 CB ILE A 99 4.430 -5.305 5.826 1.00 0.00 C ATOM 90 CG1 ILE A 99 3.698 -6.661 5.803 1.00 0.00 C ATOM 91 CG2 ILE A 99 4.704 -4.835 7.262 1.00 0.00 C ATOM 92 CD1 ILE A 99 2.490 -6.754 6.746 1.00 0.00 C ATOM 0 H ILE A 99 4.609 -4.730 3.244 1.00 0.00 H new ATOM 0 HA ILE A 99 2.593 -4.289 5.382 1.00 0.00 H new ATOM 0 HB ILE A 99 5.409 -5.415 5.359 1.00 0.00 H new ATOM 0 HG12 ILE A 99 3.363 -6.861 4.785 1.00 0.00 H new ATOM 0 HG13 ILE A 99 4.407 -7.446 6.065 1.00 0.00 H new ATOM 0 HG21 ILE A 99 5.279 -5.595 7.790 1.00 0.00 H new ATOM 0 HG22 ILE A 99 5.269 -3.903 7.238 1.00 0.00 H new ATOM 0 HG23 ILE A 99 3.758 -4.672 7.778 1.00 0.00 H new ATOM 0 HD11 ILE A 99 2.038 -7.742 6.662 1.00 0.00 H new ATOM 0 HD12 ILE A 99 2.817 -6.590 7.773 1.00 0.00 H new ATOM 0 HD13 ILE A 99 1.756 -5.996 6.473 1.00 0.00 H new ATOM 104 N ILE A 100 3.389 -2.083 5.938 1.00 0.00 N ATOM 105 CA ILE A 100 3.730 -0.730 6.352 1.00 0.00 C ATOM 106 C ILE A 100 3.831 -0.757 7.865 1.00 0.00 C ATOM 107 O ILE A 100 2.825 -0.968 8.544 1.00 0.00 O ATOM 108 CB ILE A 100 2.643 0.228 5.830 1.00 0.00 C ATOM 109 CG1 ILE A 100 2.595 0.149 4.275 1.00 0.00 C ATOM 110 CG2 ILE A 100 2.878 1.667 6.326 1.00 0.00 C ATOM 111 CD1 ILE A 100 3.917 0.497 3.569 1.00 0.00 C ATOM 0 H ILE A 100 2.477 -2.380 6.284 1.00 0.00 H new ATOM 0 HA ILE A 100 4.678 -0.377 5.946 1.00 0.00 H new ATOM 0 HB ILE A 100 1.674 -0.078 6.225 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.300 -0.860 3.986 1.00 0.00 H new ATOM 0 HG13 ILE A 100 1.819 0.824 3.915 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.093 2.318 5.940 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.860 1.684 7.416 1.00 0.00 H new ATOM 0 HG23 ILE A 100 3.848 2.019 5.974 1.00 0.00 H new ATOM 0 HD11 ILE A 100 3.786 0.414 2.490 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.207 1.517 3.822 1.00 0.00 H new ATOM 0 HD13 ILE A 100 4.696 -0.193 3.894 1.00 0.00 H new ATOM 123 N GLU A 101 5.057 -0.592 8.358 1.00 0.00 N ATOM 124 CA GLU A 101 5.404 -0.664 9.777 1.00 0.00 C ATOM 125 C GLU A 101 4.981 0.618 10.487 1.00 0.00 C ATOM 126 O GLU A 101 5.410 1.713 10.126 1.00 0.00 O ATOM 127 CB GLU A 101 6.891 -1.002 9.963 1.00 0.00 C ATOM 128 CG GLU A 101 7.085 -1.829 11.229 1.00 0.00 C ATOM 129 CD GLU A 101 8.549 -2.195 11.427 1.00 0.00 C ATOM 130 OE1 GLU A 101 8.958 -3.221 10.845 1.00 0.00 O ATOM 131 OE2 GLU A 101 9.224 -1.444 12.166 1.00 0.00 O ATOM 0 H GLU A 101 5.862 -0.398 7.762 1.00 0.00 H new ATOM 0 HA GLU A 101 4.852 -1.480 10.244 1.00 0.00 H new ATOM 0 HB2 GLU A 101 7.257 -1.555 9.098 1.00 0.00 H new ATOM 0 HB3 GLU A 101 7.476 -0.084 10.025 1.00 0.00 H new ATOM 0 HG2 GLU A 101 6.728 -1.267 12.092 1.00 0.00 H new ATOM 0 HG3 GLU A 101 6.485 -2.737 11.169 1.00 0.00 H new ATOM 138 N SER A 102 4.049 0.485 11.429 1.00 0.00 N ATOM 139 CA SER A 102 3.247 1.629 11.839 1.00 0.00 C ATOM 140 C SER A 102 3.569 2.183 13.225 1.00 0.00 C ATOM 141 O SER A 102 3.999 3.326 13.318 1.00 0.00 O ATOM 142 CB SER A 102 1.776 1.254 11.734 1.00 0.00 C ATOM 143 OG SER A 102 1.013 2.405 12.004 1.00 0.00 O ATOM 0 H SER A 102 3.835 -0.387 11.913 1.00 0.00 H new ATOM 0 HA SER A 102 3.497 2.444 11.160 1.00 0.00 H new ATOM 0 HB2 SER A 102 1.550 0.872 10.738 1.00 0.00 H new ATOM 0 HB3 SER A 102 1.533 0.461 12.442 1.00 0.00 H new ATOM 0 HG SER A 102 0.177 2.147 12.446 1.00 0.00 H new ATOM 149 N TYR A 103 3.283 1.433 14.297 1.00 0.00 N ATOM 150 CA TYR A 103 3.323 1.868 15.708 1.00 0.00 C ATOM 151 C TYR A 103 2.117 2.758 16.119 1.00 0.00 C ATOM 152 O TYR A 103 1.960 3.084 17.293 1.00 0.00 O ATOM 153 CB TYR A 103 4.701 2.464 16.074 1.00 0.00 C ATOM 154 CG TYR A 103 5.848 1.528 15.725 1.00 0.00 C ATOM 155 CD1 TYR A 103 6.081 0.422 16.556 1.00 0.00 C ATOM 156 CD2 TYR A 103 6.600 1.675 14.540 1.00 0.00 C ATOM 157 CE1 TYR A 103 7.063 -0.525 16.226 1.00 0.00 C ATOM 158 CE2 TYR A 103 7.567 0.710 14.188 1.00 0.00 C ATOM 159 CZ TYR A 103 7.811 -0.388 15.042 1.00 0.00 C ATOM 160 OH TYR A 103 8.718 -1.350 14.722 1.00 0.00 O ATOM 0 H TYR A 103 3.003 0.457 14.204 1.00 0.00 H new ATOM 0 HA TYR A 103 3.204 0.974 16.320 1.00 0.00 H new ATOM 0 HB2 TYR A 103 4.835 3.410 15.550 1.00 0.00 H new ATOM 0 HB3 TYR A 103 4.727 2.684 17.141 1.00 0.00 H new ATOM 0 HD1 TYR A 103 5.500 0.298 17.458 1.00 0.00 H new ATOM 0 HD2 TYR A 103 6.435 2.529 13.900 1.00 0.00 H new ATOM 0 HE1 TYR A 103 7.245 -1.362 16.883 1.00 0.00 H new ATOM 0 HE2 TYR A 103 8.120 0.811 13.266 1.00 0.00 H new ATOM 0 HH TYR A 103 9.110 -1.152 13.846 1.00 0.00 H new ATOM 170 N ASP A 104 1.246 3.090 15.159 1.00 0.00 N ATOM 171 CA ASP A 104 -0.149 3.545 15.314 1.00 0.00 C ATOM 172 C ASP A 104 -1.107 2.489 14.718 1.00 0.00 C ATOM 173 O ASP A 104 -0.759 1.846 13.729 1.00 0.00 O ATOM 174 CB ASP A 104 -0.357 4.826 14.489 1.00 0.00 C ATOM 175 CG ASP A 104 0.122 6.128 15.124 1.00 0.00 C ATOM 176 OD1 ASP A 104 -0.459 6.546 16.149 1.00 0.00 O ATOM 177 OD2 ASP A 104 0.989 6.776 14.487 1.00 0.00 O ATOM 0 H ASP A 104 1.515 3.046 14.176 1.00 0.00 H new ATOM 0 HA ASP A 104 -0.345 3.709 16.374 1.00 0.00 H new ATOM 0 HB2 ASP A 104 0.154 4.704 13.534 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -1.421 4.923 14.272 1.00 0.00 H new ATOM 182 N ASP A 105 -2.349 2.373 15.193 1.00 0.00 N ATOM 183 CA ASP A 105 -3.319 1.420 14.611 1.00 0.00 C ATOM 184 C ASP A 105 -3.863 1.818 13.226 1.00 0.00 C ATOM 185 O ASP A 105 -4.470 1.001 12.545 1.00 0.00 O ATOM 186 CB ASP A 105 -4.505 1.213 15.581 1.00 0.00 C ATOM 187 CG ASP A 105 -4.394 -0.007 16.500 1.00 0.00 C ATOM 188 OD1 ASP A 105 -3.375 -0.729 16.432 1.00 0.00 O ATOM 189 OD2 ASP A 105 -5.385 -0.234 17.233 1.00 0.00 O ATOM 0 H ASP A 105 -2.713 2.920 15.974 1.00 0.00 H new ATOM 0 HA ASP A 105 -2.760 0.496 14.465 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -4.607 2.105 16.199 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -5.420 1.124 14.996 1.00 0.00 H new ATOM 194 N TYR A 106 -3.688 3.061 12.782 1.00 0.00 N ATOM 195 CA TYR A 106 -4.527 3.676 11.730 1.00 0.00 C ATOM 196 C TYR A 106 -3.731 4.422 10.641 1.00 0.00 C ATOM 197 O TYR A 106 -4.332 5.090 9.789 1.00 0.00 O ATOM 198 CB TYR A 106 -5.576 4.582 12.420 1.00 0.00 C ATOM 199 CG TYR A 106 -5.080 5.199 13.716 1.00 0.00 C ATOM 200 CD1 TYR A 106 -4.110 6.220 13.683 1.00 0.00 C ATOM 201 CD2 TYR A 106 -5.421 4.589 14.939 1.00 0.00 C ATOM 202 CE1 TYR A 106 -3.434 6.579 14.864 1.00 0.00 C ATOM 203 CE2 TYR A 106 -4.746 4.944 16.120 1.00 0.00 C ATOM 204 CZ TYR A 106 -3.724 5.917 16.079 1.00 0.00 C ATOM 205 OH TYR A 106 -2.971 6.155 17.186 1.00 0.00 O ATOM 0 H TYR A 106 -2.960 3.681 13.137 1.00 0.00 H new ATOM 0 HA TYR A 106 -5.023 2.877 11.179 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -5.865 5.378 11.734 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -6.473 3.997 12.624 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -3.886 6.725 12.755 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -6.204 3.846 14.970 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -2.691 7.363 14.842 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -5.009 4.474 17.056 1.00 0.00 H new ATOM 0 HH TYR A 106 -2.031 6.257 16.927 1.00 0.00 H new ATOM 215 N ARG A 107 -2.396 4.326 10.679 1.00 0.00 N ATOM 216 CA ARG A 107 -1.439 5.163 9.937 1.00 0.00 C ATOM 217 C ARG A 107 -1.538 5.075 8.405 1.00 0.00 C ATOM 218 O ARG A 107 -1.968 4.088 7.810 1.00 0.00 O ATOM 219 CB ARG A 107 -0.015 4.817 10.402 1.00 0.00 C ATOM 220 CG ARG A 107 1.064 5.866 10.085 1.00 0.00 C ATOM 221 CD ARG A 107 2.416 5.504 10.715 1.00 0.00 C ATOM 222 NE ARG A 107 2.553 5.987 12.100 1.00 0.00 N ATOM 223 CZ ARG A 107 3.696 6.165 12.753 1.00 0.00 C ATOM 224 NH1 ARG A 107 4.865 5.858 12.223 1.00 0.00 N ATOM 225 NH2 ARG A 107 3.661 6.638 13.977 1.00 0.00 N ATOM 0 H ARG A 107 -1.928 3.628 11.257 1.00 0.00 H new ATOM 0 HA ARG A 107 -1.696 6.197 10.168 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -0.034 4.656 11.480 1.00 0.00 H new ATOM 0 HB3 ARG A 107 0.277 3.872 9.944 1.00 0.00 H new ATOM 0 HG2 ARG A 107 1.179 5.954 9.005 1.00 0.00 H new ATOM 0 HG3 ARG A 107 0.742 6.841 10.452 1.00 0.00 H new ATOM 0 HD2 ARG A 107 2.539 4.421 10.700 1.00 0.00 H new ATOM 0 HD3 ARG A 107 3.218 5.925 10.108 1.00 0.00 H new ATOM 0 HE ARG A 107 1.693 6.204 12.603 1.00 0.00 H new ATOM 0 HH11 ARG A 107 4.912 5.470 11.281 1.00 0.00 H new ATOM 0 HH12 ARG A 107 5.722 6.009 12.755 1.00 0.00 H new ATOM 0 HH21 ARG A 107 2.766 6.862 14.412 1.00 0.00 H new ATOM 0 HH22 ARG A 107 4.529 6.781 14.493 1.00 0.00 H new ATOM 239 N TYR A 108 -1.087 6.159 7.769 1.00 0.00 N ATOM 240 CA TYR A 108 -0.933 6.295 6.318 1.00 0.00 C ATOM 241 C TYR A 108 0.313 5.578 5.742 1.00 0.00 C ATOM 242 O TYR A 108 1.163 5.086 6.482 1.00 0.00 O ATOM 243 CB TYR A 108 -1.027 7.782 5.914 1.00 0.00 C ATOM 244 CG TYR A 108 0.301 8.486 5.770 1.00 0.00 C ATOM 245 CD1 TYR A 108 0.949 8.975 6.917 1.00 0.00 C ATOM 246 CD2 TYR A 108 0.911 8.604 4.503 1.00 0.00 C ATOM 247 CE1 TYR A 108 2.208 9.585 6.809 1.00 0.00 C ATOM 248 CE2 TYR A 108 2.175 9.212 4.395 1.00 0.00 C ATOM 249 CZ TYR A 108 2.826 9.713 5.547 1.00 0.00 C ATOM 250 OH TYR A 108 4.041 10.321 5.453 1.00 0.00 O ATOM 0 H TYR A 108 -0.807 7.001 8.272 1.00 0.00 H new ATOM 0 HA TYR A 108 -1.764 5.765 5.854 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -1.564 7.853 4.968 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -1.622 8.309 6.659 1.00 0.00 H new ATOM 0 HD1 TYR A 108 0.477 8.881 7.884 1.00 0.00 H new ATOM 0 HD2 TYR A 108 0.411 8.230 3.622 1.00 0.00 H new ATOM 0 HE1 TYR A 108 2.705 9.957 7.693 1.00 0.00 H new ATOM 0 HE2 TYR A 108 2.650 9.297 3.429 1.00 0.00 H new ATOM 0 HH TYR A 108 4.331 10.329 4.517 1.00 0.00 H new ATOM 260 N VAL A 109 0.393 5.532 4.415 1.00 0.00 N ATOM 261 CA VAL A 109 1.531 5.058 3.614 1.00 0.00 C ATOM 262 C VAL A 109 1.808 6.014 2.455 1.00 0.00 C ATOM 263 O VAL A 109 0.861 6.587 1.922 1.00 0.00 O ATOM 264 CB VAL A 109 1.249 3.650 3.049 1.00 0.00 C ATOM 265 CG1 VAL A 109 -0.065 3.510 2.281 1.00 0.00 C ATOM 266 CG2 VAL A 109 2.379 3.162 2.140 1.00 0.00 C ATOM 0 H VAL A 109 -0.381 5.843 3.828 1.00 0.00 H new ATOM 0 HA VAL A 109 2.403 5.018 4.266 1.00 0.00 H new ATOM 0 HB VAL A 109 1.174 3.034 3.945 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.171 2.485 1.925 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -0.899 3.753 2.939 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -0.064 4.191 1.430 1.00 0.00 H new ATOM 0 HG21 VAL A 109 2.140 2.167 1.764 1.00 0.00 H new ATOM 0 HG22 VAL A 109 2.494 3.849 1.301 1.00 0.00 H new ATOM 0 HG23 VAL A 109 3.310 3.122 2.706 1.00 0.00 H new ATOM 276 N GLY A 110 3.073 6.132 2.037 1.00 0.00 N ATOM 277 CA GLY A 110 3.435 6.624 0.703 1.00 0.00 C ATOM 278 C GLY A 110 4.220 5.610 -0.130 1.00 0.00 C ATOM 279 O GLY A 110 5.325 5.242 0.269 1.00 0.00 O ATOM 0 H GLY A 110 3.877 5.888 2.616 1.00 0.00 H new ATOM 0 HA2 GLY A 110 2.526 6.897 0.166 1.00 0.00 H new ATOM 0 HA3 GLY A 110 4.028 7.532 0.808 1.00 0.00 H new ATOM 283 N CYS A 111 3.699 5.237 -1.304 1.00 0.00 N ATOM 284 CA CYS A 111 4.418 4.493 -2.330 1.00 0.00 C ATOM 285 C CYS A 111 4.629 5.298 -3.622 1.00 0.00 C ATOM 286 O CYS A 111 3.920 6.259 -3.953 1.00 0.00 O ATOM 287 CB CYS A 111 3.665 3.186 -2.613 1.00 0.00 C ATOM 288 SG CYS A 111 2.027 3.350 -3.432 1.00 0.00 S ATOM 0 H CYS A 111 2.738 5.453 -1.569 1.00 0.00 H new ATOM 0 HA CYS A 111 5.417 4.277 -1.951 1.00 0.00 H new ATOM 0 HB2 CYS A 111 4.298 2.555 -3.237 1.00 0.00 H new ATOM 0 HB3 CYS A 111 3.524 2.661 -1.668 1.00 0.00 H new ATOM 0 HG CYS A 111 1.940 2.491 -4.404 1.00 0.00 H new ATOM 293 N THR A 112 5.606 4.815 -4.391 1.00 0.00 N ATOM 294 CA THR A 112 5.837 5.209 -5.784 1.00 0.00 C ATOM 295 C THR A 112 5.620 4.062 -6.763 1.00 0.00 C ATOM 296 O THR A 112 5.982 4.160 -7.929 1.00 0.00 O ATOM 297 CB THR A 112 7.215 5.850 -5.960 1.00 0.00 C ATOM 298 OG1 THR A 112 8.195 4.959 -5.483 1.00 0.00 O ATOM 299 CG2 THR A 112 7.298 7.136 -5.144 1.00 0.00 C ATOM 0 H THR A 112 6.275 4.122 -4.056 1.00 0.00 H new ATOM 0 HA THR A 112 5.087 5.962 -6.025 1.00 0.00 H new ATOM 0 HB THR A 112 7.375 6.073 -7.015 1.00 0.00 H new ATOM 0 HG1 THR A 112 9.083 5.360 -5.593 1.00 0.00 H new ATOM 0 HG21 THR A 112 8.282 7.587 -5.274 1.00 0.00 H new ATOM 0 HG22 THR A 112 6.532 7.833 -5.484 1.00 0.00 H new ATOM 0 HG23 THR A 112 7.140 6.909 -4.090 1.00 0.00 H new ATOM 307 N GLY A 113 5.004 2.965 -6.315 1.00 0.00 N ATOM 308 CA GLY A 113 4.715 1.789 -7.143 1.00 0.00 C ATOM 309 C GLY A 113 5.395 0.514 -6.660 1.00 0.00 C ATOM 310 O GLY A 113 4.910 -0.591 -6.873 1.00 0.00 O ATOM 0 H GLY A 113 4.686 2.866 -5.351 1.00 0.00 H new ATOM 0 HA2 GLY A 113 3.637 1.628 -7.166 1.00 0.00 H new ATOM 0 HA3 GLY A 113 5.029 1.991 -8.167 1.00 0.00 H new ATOM 314 N SER A 114 6.566 0.687 -6.058 1.00 0.00 N ATOM 315 CA SER A 114 7.634 -0.302 -5.910 1.00 0.00 C ATOM 316 C SER A 114 8.881 0.437 -5.385 1.00 0.00 C ATOM 317 O SER A 114 8.969 1.651 -5.607 1.00 0.00 O ATOM 318 CB SER A 114 7.909 -0.939 -7.292 1.00 0.00 C ATOM 319 OG SER A 114 9.063 -1.756 -7.328 1.00 0.00 O ATOM 0 H SER A 114 6.814 1.580 -5.631 1.00 0.00 H new ATOM 0 HA SER A 114 7.360 -1.094 -5.213 1.00 0.00 H new ATOM 0 HB2 SER A 114 7.045 -1.535 -7.585 1.00 0.00 H new ATOM 0 HB3 SER A 114 8.014 -0.146 -8.032 1.00 0.00 H new ATOM 0 HG SER A 114 9.174 -2.126 -8.229 1.00 0.00 H new ATOM 325 N PRO A 115 9.878 -0.241 -4.777 1.00 0.00 N ATOM 326 CA PRO A 115 11.220 0.326 -4.627 1.00 0.00 C ATOM 327 C PRO A 115 11.828 0.773 -5.967 1.00 0.00 C ATOM 328 O PRO A 115 12.724 1.611 -5.973 1.00 0.00 O ATOM 329 CB PRO A 115 12.065 -0.777 -3.977 1.00 0.00 C ATOM 330 CG PRO A 115 11.308 -2.065 -4.296 1.00 0.00 C ATOM 331 CD PRO A 115 9.852 -1.612 -4.286 1.00 0.00 C ATOM 0 HA PRO A 115 11.187 1.229 -4.018 1.00 0.00 H new ATOM 0 HB2 PRO A 115 13.076 -0.797 -4.385 1.00 0.00 H new ATOM 0 HB3 PRO A 115 12.158 -0.626 -2.902 1.00 0.00 H new ATOM 0 HG2 PRO A 115 11.597 -2.475 -5.264 1.00 0.00 H new ATOM 0 HG3 PRO A 115 11.496 -2.839 -3.552 1.00 0.00 H new ATOM 0 HD2 PRO A 115 9.237 -2.247 -4.923 1.00 0.00 H new ATOM 0 HD3 PRO A 115 9.430 -1.663 -3.282 1.00 0.00 H new ATOM 339 N ALA A 116 11.330 0.252 -7.097 1.00 0.00 N ATOM 340 CA ALA A 116 11.710 0.657 -8.445 1.00 0.00 C ATOM 341 C ALA A 116 10.805 1.776 -9.010 1.00 0.00 C ATOM 342 O ALA A 116 10.379 1.697 -10.164 1.00 0.00 O ATOM 343 CB ALA A 116 11.758 -0.604 -9.317 1.00 0.00 C ATOM 0 H ALA A 116 10.628 -0.488 -7.090 1.00 0.00 H new ATOM 0 HA ALA A 116 12.700 1.114 -8.434 1.00 0.00 H new ATOM 0 HB1 ALA A 116 12.040 -0.332 -10.334 1.00 0.00 H new ATOM 0 HB2 ALA A 116 12.492 -1.300 -8.910 1.00 0.00 H new ATOM 0 HB3 ALA A 116 10.776 -1.077 -9.327 1.00 0.00 H new ATOM 349 N GLY A 117 10.467 2.786 -8.191 1.00 0.00 N ATOM 350 CA GLY A 117 10.171 4.170 -8.624 1.00 0.00 C ATOM 351 C GLY A 117 9.146 4.342 -9.748 1.00 0.00 C ATOM 352 O GLY A 117 9.299 5.207 -10.603 1.00 0.00 O ATOM 0 H GLY A 117 10.389 2.663 -7.181 1.00 0.00 H new ATOM 0 HA2 GLY A 117 9.819 4.729 -7.757 1.00 0.00 H new ATOM 0 HA3 GLY A 117 11.105 4.632 -8.944 1.00 0.00 H new ATOM 356 N SER A 118 8.139 3.480 -9.801 1.00 0.00 N ATOM 357 CA SER A 118 7.470 3.137 -11.057 1.00 0.00 C ATOM 358 C SER A 118 6.518 4.216 -11.574 1.00 0.00 C ATOM 359 O SER A 118 6.577 4.586 -12.746 1.00 0.00 O ATOM 360 CB SER A 118 6.737 1.807 -10.856 1.00 0.00 C ATOM 361 OG SER A 118 7.633 0.817 -10.363 1.00 0.00 O ATOM 0 H SER A 118 7.762 3.000 -8.984 1.00 0.00 H new ATOM 0 HA SER A 118 8.234 3.052 -11.830 1.00 0.00 H new ATOM 0 HB2 SER A 118 5.912 1.941 -10.156 1.00 0.00 H new ATOM 0 HB3 SER A 118 6.304 1.477 -11.800 1.00 0.00 H new ATOM 0 HG SER A 118 8.551 1.159 -10.400 1.00 0.00 H new ATOM 367 N HIS A 119 5.653 4.737 -10.711 1.00 0.00 N ATOM 368 CA HIS A 119 4.699 5.790 -11.048 1.00 0.00 C ATOM 369 C HIS A 119 5.124 7.171 -10.480 1.00 0.00 C ATOM 370 O HIS A 119 6.319 7.478 -10.457 1.00 0.00 O ATOM 371 CB HIS A 119 3.327 5.221 -10.667 1.00 0.00 C ATOM 372 CG HIS A 119 3.033 5.101 -9.195 1.00 0.00 C ATOM 373 ND1 HIS A 119 2.792 6.130 -8.355 1.00 0.00 N ATOM 374 CD2 HIS A 119 2.752 3.944 -8.546 1.00 0.00 C ATOM 375 CE1 HIS A 119 2.445 5.664 -7.167 1.00 0.00 C ATOM 376 NE2 HIS A 119 2.321 4.330 -7.263 1.00 0.00 N ATOM 0 H HIS A 119 5.593 4.434 -9.739 1.00 0.00 H new ATOM 0 HA HIS A 119 4.659 6.044 -12.107 1.00 0.00 H new ATOM 0 HB2 HIS A 119 2.560 5.851 -11.118 1.00 0.00 H new ATOM 0 HB3 HIS A 119 3.232 4.232 -11.115 1.00 0.00 H new ATOM 0 HD2 HIS A 119 2.840 2.939 -8.932 1.00 0.00 H new ATOM 0 HE1 HIS A 119 2.289 6.253 -6.275 1.00 0.00 H new ATOM 0 HE2 HIS A 119 1.975 3.706 -6.534 1.00 0.00 H new ATOM 384 N THR A 120 4.174 8.026 -10.076 1.00 0.00 N ATOM 385 CA THR A 120 4.431 9.198 -9.213 1.00 0.00 C ATOM 386 C THR A 120 4.630 8.811 -7.750 1.00 0.00 C ATOM 387 O THR A 120 4.918 7.664 -7.452 1.00 0.00 O ATOM 388 CB THR A 120 3.316 10.209 -9.461 1.00 0.00 C ATOM 389 OG1 THR A 120 3.759 11.468 -9.025 1.00 0.00 O ATOM 390 CG2 THR A 120 2.010 9.870 -8.744 1.00 0.00 C ATOM 0 H THR A 120 3.194 7.926 -10.340 1.00 0.00 H new ATOM 0 HA THR A 120 5.380 9.668 -9.473 1.00 0.00 H new ATOM 0 HB THR A 120 3.099 10.195 -10.529 1.00 0.00 H new ATOM 0 HG1 THR A 120 3.210 11.764 -8.269 1.00 0.00 H new ATOM 0 HG21 THR A 120 1.264 10.633 -8.967 1.00 0.00 H new ATOM 0 HG22 THR A 120 1.649 8.899 -9.084 1.00 0.00 H new ATOM 0 HG23 THR A 120 2.184 9.836 -7.668 1.00 0.00 H new ATOM 398 N ILE A 121 4.434 9.742 -6.830 1.00 0.00 N ATOM 399 CA ILE A 121 4.202 9.516 -5.400 1.00 0.00 C ATOM 400 C ILE A 121 2.730 9.762 -5.050 1.00 0.00 C ATOM 401 O ILE A 121 2.100 10.680 -5.562 1.00 0.00 O ATOM 402 CB ILE A 121 5.153 10.415 -4.596 1.00 0.00 C ATOM 403 CG1 ILE A 121 5.056 10.155 -3.077 1.00 0.00 C ATOM 404 CG2 ILE A 121 4.894 11.906 -4.825 1.00 0.00 C ATOM 405 CD1 ILE A 121 5.920 8.996 -2.614 1.00 0.00 C ATOM 0 H ILE A 121 4.431 10.734 -7.068 1.00 0.00 H new ATOM 0 HA ILE A 121 4.413 8.478 -5.142 1.00 0.00 H new ATOM 0 HB ILE A 121 6.148 10.157 -4.959 1.00 0.00 H new ATOM 0 HG12 ILE A 121 5.351 11.057 -2.541 1.00 0.00 H new ATOM 0 HG13 ILE A 121 4.017 9.953 -2.815 1.00 0.00 H new ATOM 0 HG21 ILE A 121 5.595 12.492 -4.232 1.00 0.00 H new ATOM 0 HG22 ILE A 121 5.028 12.140 -5.881 1.00 0.00 H new ATOM 0 HG23 ILE A 121 3.874 12.148 -4.526 1.00 0.00 H new ATOM 0 HD11 ILE A 121 5.807 8.865 -1.538 1.00 0.00 H new ATOM 0 HD12 ILE A 121 5.610 8.084 -3.125 1.00 0.00 H new ATOM 0 HD13 ILE A 121 6.964 9.205 -2.846 1.00 0.00 H new ATOM 417 N MET A 122 2.186 8.955 -4.146 1.00 0.00 N ATOM 418 CA MET A 122 0.807 9.068 -3.660 1.00 0.00 C ATOM 419 C MET A 122 0.649 8.519 -2.240 1.00 0.00 C ATOM 420 O MET A 122 1.617 7.998 -1.690 1.00 0.00 O ATOM 421 CB MET A 122 -0.132 8.397 -4.660 1.00 0.00 C ATOM 422 CG MET A 122 0.222 6.942 -4.956 1.00 0.00 C ATOM 423 SD MET A 122 -0.734 5.772 -4.033 1.00 0.00 S ATOM 424 CE MET A 122 -2.279 6.058 -4.912 1.00 0.00 C ATOM 0 H MET A 122 2.700 8.185 -3.718 1.00 0.00 H new ATOM 0 HA MET A 122 0.539 10.122 -3.590 1.00 0.00 H new ATOM 0 HB2 MET A 122 -1.151 8.442 -4.275 1.00 0.00 H new ATOM 0 HB3 MET A 122 -0.118 8.962 -5.592 1.00 0.00 H new ATOM 0 HG2 MET A 122 0.082 6.753 -6.020 1.00 0.00 H new ATOM 0 HG3 MET A 122 1.279 6.784 -4.741 1.00 0.00 H new ATOM 0 HE1 MET A 122 -2.977 5.250 -4.693 1.00 0.00 H new ATOM 0 HE2 MET A 122 -2.710 7.006 -4.591 1.00 0.00 H new ATOM 0 HE3 MET A 122 -2.087 6.091 -5.984 1.00 0.00 H new ATOM 434 N TRP A 123 -0.544 8.650 -1.638 1.00 0.00 N ATOM 435 CA TRP A 123 -0.720 8.438 -0.193 1.00 0.00 C ATOM 436 C TRP A 123 -2.028 7.711 0.143 1.00 0.00 C ATOM 437 O TRP A 123 -3.093 8.126 -0.317 1.00 0.00 O ATOM 438 CB TRP A 123 -0.639 9.770 0.581 1.00 0.00 C ATOM 439 CG TRP A 123 0.304 10.819 0.069 1.00 0.00 C ATOM 440 CD1 TRP A 123 -0.059 11.946 -0.585 1.00 0.00 C ATOM 441 CD2 TRP A 123 1.762 10.874 0.169 1.00 0.00 C ATOM 442 NE1 TRP A 123 1.064 12.691 -0.889 1.00 0.00 N ATOM 443 CE2 TRP A 123 2.216 12.079 -0.444 1.00 0.00 C ATOM 444 CE3 TRP A 123 2.745 10.030 0.723 1.00 0.00 C ATOM 445 CZ2 TRP A 123 3.572 12.435 -0.493 1.00 0.00 C ATOM 446 CZ3 TRP A 123 4.111 10.374 0.683 1.00 0.00 C ATOM 447 CH2 TRP A 123 4.525 11.576 0.081 1.00 0.00 C ATOM 0 H TRP A 123 -1.401 8.902 -2.130 1.00 0.00 H new ATOM 0 HA TRP A 123 0.101 7.794 0.122 1.00 0.00 H new ATOM 0 HB2 TRP A 123 -1.639 10.203 0.609 1.00 0.00 H new ATOM 0 HB3 TRP A 123 -0.361 9.543 1.610 1.00 0.00 H new ATOM 0 HD1 TRP A 123 -1.074 12.222 -0.832 1.00 0.00 H new ATOM 0 HE1 TRP A 123 1.043 13.584 -1.382 1.00 0.00 H new ATOM 0 HE3 TRP A 123 2.446 9.102 1.187 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 3.879 13.356 -0.965 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 4.844 9.711 1.117 1.00 0.00 H new ATOM 0 HH2 TRP A 123 5.572 11.838 0.060 1.00 0.00 H new ATOM 458 N LEU A 124 -1.960 6.658 0.967 1.00 0.00 N ATOM 459 CA LEU A 124 -3.090 5.773 1.311 1.00 0.00 C ATOM 460 C LEU A 124 -3.123 5.586 2.830 1.00 0.00 C ATOM 461 O LEU A 124 -2.172 5.983 3.499 1.00 0.00 O ATOM 462 CB LEU A 124 -2.935 4.394 0.617 1.00 0.00 C ATOM 463 CG LEU A 124 -2.183 4.406 -0.729 1.00 0.00 C ATOM 464 CD1 LEU A 124 -1.738 3.015 -1.176 1.00 0.00 C ATOM 465 CD2 LEU A 124 -3.087 4.992 -1.808 1.00 0.00 C ATOM 0 H LEU A 124 -1.092 6.386 1.429 1.00 0.00 H new ATOM 0 HA LEU A 124 -4.020 6.226 0.967 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -2.414 3.721 1.298 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -3.928 3.976 0.454 1.00 0.00 H new ATOM 0 HG LEU A 124 -1.288 5.012 -0.585 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -1.215 3.089 -2.129 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -1.070 2.589 -0.428 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -2.611 2.373 -1.291 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -2.557 5.002 -2.761 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -3.987 4.383 -1.899 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -3.364 6.011 -1.537 1.00 0.00 H new ATOM 477 N LYS A 125 -4.132 4.916 3.405 1.00 0.00 N ATOM 478 CA LYS A 125 -4.070 4.493 4.820 1.00 0.00 C ATOM 479 C LYS A 125 -4.715 3.125 5.106 1.00 0.00 C ATOM 480 O LYS A 125 -5.936 3.066 5.260 1.00 0.00 O ATOM 481 CB LYS A 125 -4.595 5.597 5.771 1.00 0.00 C ATOM 482 CG LYS A 125 -6.057 6.051 5.583 1.00 0.00 C ATOM 483 CD LYS A 125 -6.867 6.144 6.893 1.00 0.00 C ATOM 484 CE LYS A 125 -7.444 4.815 7.423 1.00 0.00 C ATOM 485 NZ LYS A 125 -6.461 3.973 8.145 1.00 0.00 N ATOM 0 H LYS A 125 -4.993 4.656 2.923 1.00 0.00 H new ATOM 0 HA LYS A 125 -3.010 4.347 5.029 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -4.480 5.243 6.796 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -3.953 6.471 5.661 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -6.062 7.026 5.096 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -6.557 5.356 4.909 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -6.227 6.573 7.664 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -7.691 6.840 6.739 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -8.278 5.034 8.090 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -7.847 4.246 6.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -6.953 3.177 8.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -5.757 3.607 7.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -5.982 4.543 8.871 1.00 0.00 H new ATOM 499 N PRO A 126 -3.940 2.037 5.276 1.00 0.00 N ATOM 500 CA PRO A 126 -4.462 0.844 5.927 1.00 0.00 C ATOM 501 C PRO A 126 -4.654 1.123 7.431 1.00 0.00 C ATOM 502 O PRO A 126 -4.344 2.210 7.917 1.00 0.00 O ATOM 503 CB PRO A 126 -3.436 -0.244 5.617 1.00 0.00 C ATOM 504 CG PRO A 126 -2.111 0.522 5.573 1.00 0.00 C ATOM 505 CD PRO A 126 -2.507 1.894 5.026 1.00 0.00 C ATOM 0 HA PRO A 126 -5.445 0.532 5.574 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -3.427 -1.019 6.384 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -3.647 -0.737 4.668 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -1.660 0.600 6.562 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -1.384 0.028 4.929 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -1.945 2.687 5.520 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -2.289 1.965 3.960 1.00 0.00 H new ATOM 513 N THR A 127 -5.187 0.146 8.162 1.00 0.00 N ATOM 514 CA THR A 127 -5.417 0.159 9.617 1.00 0.00 C ATOM 515 C THR A 127 -5.047 -1.234 10.107 1.00 0.00 C ATOM 516 O THR A 127 -5.066 -2.161 9.304 1.00 0.00 O ATOM 517 CB THR A 127 -6.901 0.405 9.917 1.00 0.00 C ATOM 518 OG1 THR A 127 -7.410 1.497 9.188 1.00 0.00 O ATOM 519 CG2 THR A 127 -7.316 0.614 11.369 1.00 0.00 C ATOM 0 H THR A 127 -5.490 -0.730 7.736 1.00 0.00 H new ATOM 0 HA THR A 127 -4.834 0.943 10.100 1.00 0.00 H new ATOM 0 HB THR A 127 -7.326 -0.552 9.613 1.00 0.00 H new ATOM 0 HG1 THR A 127 -8.133 1.190 8.602 1.00 0.00 H new ATOM 0 HG21 THR A 127 -8.393 0.775 11.420 1.00 0.00 H new ATOM 0 HG22 THR A 127 -7.053 -0.268 11.953 1.00 0.00 H new ATOM 0 HG23 THR A 127 -6.799 1.484 11.773 1.00 0.00 H new ATOM 527 N VAL A 128 -4.745 -1.430 11.383 1.00 0.00 N ATOM 528 CA VAL A 128 -4.337 -2.728 11.951 1.00 0.00 C ATOM 529 C VAL A 128 -5.274 -3.892 11.560 1.00 0.00 C ATOM 530 O VAL A 128 -4.814 -4.992 11.257 1.00 0.00 O ATOM 531 CB VAL A 128 -4.154 -2.634 13.484 1.00 0.00 C ATOM 532 CG1 VAL A 128 -5.394 -2.027 14.148 1.00 0.00 C ATOM 533 CG2 VAL A 128 -3.806 -4.000 14.099 1.00 0.00 C ATOM 0 H VAL A 128 -4.774 -0.681 12.075 1.00 0.00 H new ATOM 0 HA VAL A 128 -3.371 -2.965 11.506 1.00 0.00 H new ATOM 0 HB VAL A 128 -3.311 -1.970 13.674 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -5.240 -1.972 15.226 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -5.564 -1.025 13.754 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -6.262 -2.652 13.937 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -3.685 -3.894 15.177 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -4.609 -4.707 13.892 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -2.877 -4.369 13.664 1.00 0.00 H new ATOM 543 N ASN A 129 -6.585 -3.628 11.501 1.00 0.00 N ATOM 544 CA ASN A 129 -7.632 -4.584 11.119 1.00 0.00 C ATOM 545 C ASN A 129 -7.789 -4.769 9.600 1.00 0.00 C ATOM 546 O ASN A 129 -8.566 -5.615 9.165 1.00 0.00 O ATOM 547 CB ASN A 129 -8.963 -4.128 11.741 1.00 0.00 C ATOM 548 CG ASN A 129 -8.893 -4.047 13.257 1.00 0.00 C ATOM 549 OD1 ASN A 129 -8.866 -5.059 13.939 1.00 0.00 O ATOM 550 ND2 ASN A 129 -8.840 -2.851 13.820 1.00 0.00 N ATOM 0 H ASN A 129 -6.960 -2.707 11.727 1.00 0.00 H new ATOM 0 HA ASN A 129 -7.332 -5.560 11.500 1.00 0.00 H new ATOM 0 HB2 ASN A 129 -9.234 -3.152 11.339 1.00 0.00 H new ATOM 0 HB3 ASN A 129 -9.753 -4.821 11.452 1.00 0.00 H new ATOM 0 HD21 ASN A 129 -8.776 -2.767 14.835 1.00 0.00 H new ATOM 0 HD22 ASN A 129 -8.863 -2.013 13.240 1.00 0.00 H new ATOM 557 N GLU A 130 -7.110 -3.952 8.795 1.00 0.00 N ATOM 558 CA GLU A 130 -7.541 -3.566 7.455 1.00 0.00 C ATOM 559 C GLU A 130 -6.393 -3.489 6.447 1.00 0.00 C ATOM 560 O GLU A 130 -5.246 -3.843 6.713 1.00 0.00 O ATOM 561 CB GLU A 130 -8.228 -2.189 7.490 1.00 0.00 C ATOM 562 CG GLU A 130 -9.312 -2.048 8.544 1.00 0.00 C ATOM 563 CD GLU A 130 -10.096 -0.773 8.239 1.00 0.00 C ATOM 564 OE1 GLU A 130 -9.590 0.308 8.628 1.00 0.00 O ATOM 565 OE2 GLU A 130 -11.113 -0.874 7.531 1.00 0.00 O ATOM 0 H GLU A 130 -6.222 -3.530 9.066 1.00 0.00 H new ATOM 0 HA GLU A 130 -8.229 -4.347 7.131 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -7.471 -1.424 7.663 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -8.664 -1.990 6.511 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -9.973 -2.915 8.531 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -8.872 -1.997 9.540 1.00 0.00 H new ATOM 572 N VAL A 131 -6.751 -3.007 5.262 1.00 0.00 N ATOM 573 CA VAL A 131 -5.943 -2.883 4.055 1.00 0.00 C ATOM 574 C VAL A 131 -6.297 -1.563 3.350 1.00 0.00 C ATOM 575 O VAL A 131 -7.319 -0.955 3.666 1.00 0.00 O ATOM 576 CB VAL A 131 -6.189 -4.070 3.106 1.00 0.00 C ATOM 577 CG1 VAL A 131 -5.683 -5.376 3.725 1.00 0.00 C ATOM 578 CG2 VAL A 131 -7.666 -4.229 2.721 1.00 0.00 C ATOM 0 H VAL A 131 -7.699 -2.663 5.109 1.00 0.00 H new ATOM 0 HA VAL A 131 -4.888 -2.886 4.331 1.00 0.00 H new ATOM 0 HB VAL A 131 -5.631 -3.851 2.196 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -5.868 -6.201 3.036 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -4.613 -5.297 3.918 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -6.208 -5.562 4.662 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -7.778 -5.082 2.051 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -8.261 -4.393 3.620 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -8.010 -3.325 2.218 1.00 0.00 H new ATOM 588 N ALA A 132 -5.496 -1.137 2.373 1.00 0.00 N ATOM 589 CA ALA A 132 -5.826 -0.029 1.469 1.00 0.00 C ATOM 590 C ALA A 132 -5.204 -0.260 0.087 1.00 0.00 C ATOM 591 O ALA A 132 -4.089 -0.763 0.013 1.00 0.00 O ATOM 592 CB ALA A 132 -5.354 1.291 2.092 1.00 0.00 C ATOM 0 H ALA A 132 -4.586 -1.556 2.183 1.00 0.00 H new ATOM 0 HA ALA A 132 -6.906 0.023 1.330 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -5.597 2.117 1.423 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -5.853 1.440 3.049 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -4.276 1.255 2.247 1.00 0.00 H new ATOM 598 N ARG A 133 -5.908 0.107 -0.994 1.00 0.00 N ATOM 599 CA ARG A 133 -5.405 0.003 -2.371 1.00 0.00 C ATOM 600 C ARG A 133 -4.901 1.356 -2.876 1.00 0.00 C ATOM 601 O ARG A 133 -5.546 2.378 -2.637 1.00 0.00 O ATOM 602 CB ARG A 133 -6.493 -0.516 -3.334 1.00 0.00 C ATOM 603 CG ARG A 133 -5.882 -1.219 -4.566 1.00 0.00 C ATOM 604 CD ARG A 133 -6.698 -1.154 -5.861 1.00 0.00 C ATOM 605 NE ARG A 133 -8.142 -1.399 -5.684 1.00 0.00 N ATOM 606 CZ ARG A 133 -9.040 -1.296 -6.657 1.00 0.00 C ATOM 607 NH1 ARG A 133 -8.663 -1.086 -7.905 1.00 0.00 N ATOM 608 NH2 ARG A 133 -10.326 -1.395 -6.395 1.00 0.00 N ATOM 0 H ARG A 133 -6.852 0.488 -0.936 1.00 0.00 H new ATOM 0 HA ARG A 133 -4.580 -0.709 -2.351 1.00 0.00 H new ATOM 0 HB2 ARG A 133 -7.145 -1.211 -2.805 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -7.115 0.317 -3.662 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -4.902 -0.782 -4.757 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -5.721 -2.268 -4.316 1.00 0.00 H new ATOM 0 HD2 ARG A 133 -6.561 -0.172 -6.313 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -6.301 -1.887 -6.564 1.00 0.00 H new ATOM 0 HE ARG A 133 -8.471 -1.664 -4.756 1.00 0.00 H new ATOM 0 HH11 ARG A 133 -7.672 -1.001 -8.131 1.00 0.00 H new ATOM 0 HH12 ARG A 133 -9.363 -1.009 -8.643 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -10.641 -1.552 -5.438 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -11.008 -1.314 -7.149 1.00 0.00 H new ATOM 622 N CYS A 134 -3.830 1.317 -3.662 1.00 0.00 N ATOM 623 CA CYS A 134 -3.452 2.365 -4.584 1.00 0.00 C ATOM 624 C CYS A 134 -4.462 2.572 -5.733 1.00 0.00 C ATOM 625 O CYS A 134 -5.428 1.824 -5.918 1.00 0.00 O ATOM 626 CB CYS A 134 -2.038 1.991 -5.045 1.00 0.00 C ATOM 627 SG CYS A 134 -1.113 3.128 -6.127 1.00 0.00 S ATOM 0 H CYS A 134 -3.185 0.527 -3.670 1.00 0.00 H new ATOM 0 HA CYS A 134 -3.460 3.345 -4.106 1.00 0.00 H new ATOM 0 HB2 CYS A 134 -1.436 1.830 -4.151 1.00 0.00 H new ATOM 0 HB3 CYS A 134 -2.106 1.033 -5.561 1.00 0.00 H new ATOM 0 HG CYS A 134 -0.612 4.093 -5.415 1.00 0.00 H new ATOM 632 N TRP A 135 -4.177 3.598 -6.527 1.00 0.00 N ATOM 633 CA TRP A 135 -4.828 3.917 -7.792 1.00 0.00 C ATOM 634 C TRP A 135 -3.821 4.104 -8.946 1.00 0.00 C ATOM 635 O TRP A 135 -4.236 4.101 -10.100 1.00 0.00 O ATOM 636 CB TRP A 135 -5.729 5.149 -7.579 1.00 0.00 C ATOM 637 CG TRP A 135 -5.060 6.481 -7.381 1.00 0.00 C ATOM 638 CD1 TRP A 135 -4.812 7.100 -6.200 1.00 0.00 C ATOM 639 CD2 TRP A 135 -4.546 7.384 -8.411 1.00 0.00 C ATOM 640 NE1 TRP A 135 -4.207 8.321 -6.435 1.00 0.00 N ATOM 641 CE2 TRP A 135 -3.999 8.541 -7.779 1.00 0.00 C ATOM 642 CE3 TRP A 135 -4.452 7.319 -9.817 1.00 0.00 C ATOM 643 CZ2 TRP A 135 -3.397 9.583 -8.504 1.00 0.00 C ATOM 644 CZ3 TRP A 135 -3.792 8.321 -10.547 1.00 0.00 C ATOM 645 CH2 TRP A 135 -3.285 9.462 -9.900 1.00 0.00 C ATOM 0 H TRP A 135 -3.444 4.267 -6.292 1.00 0.00 H new ATOM 0 HA TRP A 135 -5.446 3.074 -8.102 1.00 0.00 H new ATOM 0 HB2 TRP A 135 -6.392 5.232 -8.440 1.00 0.00 H new ATOM 0 HB3 TRP A 135 -6.358 4.958 -6.710 1.00 0.00 H new ATOM 0 HD1 TRP A 135 -5.050 6.700 -5.225 1.00 0.00 H new ATOM 0 HE1 TRP A 135 -3.946 8.980 -5.701 1.00 0.00 H new ATOM 0 HE3 TRP A 135 -4.895 6.485 -10.341 1.00 0.00 H new ATOM 0 HZ2 TRP A 135 -3.027 10.462 -7.997 1.00 0.00 H new ATOM 0 HZ3 TRP A 135 -3.673 8.214 -11.615 1.00 0.00 H new ATOM 0 HH2 TRP A 135 -2.811 10.244 -10.475 1.00 0.00 H new ATOM 656 N GLU A 136 -2.520 4.232 -8.658 1.00 0.00 N ATOM 657 CA GLU A 136 -1.468 4.460 -9.665 1.00 0.00 C ATOM 658 C GLU A 136 -0.826 3.110 -10.071 1.00 0.00 C ATOM 659 O GLU A 136 -0.938 2.707 -11.226 1.00 0.00 O ATOM 660 CB GLU A 136 -0.408 5.424 -9.100 1.00 0.00 C ATOM 661 CG GLU A 136 -0.721 6.928 -9.201 1.00 0.00 C ATOM 662 CD GLU A 136 0.008 7.650 -10.349 1.00 0.00 C ATOM 663 OE1 GLU A 136 1.255 7.569 -10.368 1.00 0.00 O ATOM 664 OE2 GLU A 136 -0.603 8.366 -11.177 1.00 0.00 O ATOM 0 H GLU A 136 -2.160 4.180 -7.705 1.00 0.00 H new ATOM 0 HA GLU A 136 -1.907 4.912 -10.554 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -0.250 5.179 -8.050 1.00 0.00 H new ATOM 0 HB3 GLU A 136 0.533 5.236 -9.617 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -1.796 7.056 -9.331 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -0.455 7.407 -8.259 1.00 0.00 H new ATOM 671 N CYS A 137 -0.215 2.388 -9.111 1.00 0.00 N ATOM 672 CA CYS A 137 0.174 0.978 -9.237 1.00 0.00 C ATOM 673 C CYS A 137 -1.001 0.014 -8.997 1.00 0.00 C ATOM 674 O CYS A 137 -0.911 -1.154 -9.386 1.00 0.00 O ATOM 675 CB CYS A 137 1.300 0.661 -8.226 1.00 0.00 C ATOM 676 SG CYS A 137 0.996 1.085 -6.475 1.00 0.00 S ATOM 0 H CYS A 137 0.026 2.785 -8.203 1.00 0.00 H new ATOM 0 HA CYS A 137 0.517 0.831 -10.261 1.00 0.00 H new ATOM 0 HB2 CYS A 137 1.514 -0.406 -8.283 1.00 0.00 H new ATOM 0 HB3 CYS A 137 2.200 1.184 -8.549 1.00 0.00 H new ATOM 0 HG CYS A 137 0.076 2.001 -6.404 1.00 0.00 H new ATOM 681 N GLY A 138 -2.032 0.456 -8.269 1.00 0.00 N ATOM 682 CA GLY A 138 -3.139 -0.388 -7.827 1.00 0.00 C ATOM 683 C GLY A 138 -2.716 -1.491 -6.852 1.00 0.00 C ATOM 684 O GLY A 138 -3.481 -2.436 -6.670 1.00 0.00 O ATOM 0 H GLY A 138 -2.119 1.426 -7.967 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -3.894 0.237 -7.350 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -3.607 -0.845 -8.699 1.00 0.00 H new ATOM 688 N SER A 139 -1.528 -1.417 -6.238 1.00 0.00 N ATOM 689 CA SER A 139 -1.152 -2.383 -5.197 1.00 0.00 C ATOM 690 C SER A 139 -1.987 -2.196 -3.939 1.00 0.00 C ATOM 691 O SER A 139 -2.203 -1.070 -3.497 1.00 0.00 O ATOM 692 CB SER A 139 0.354 -2.440 -4.833 1.00 0.00 C ATOM 693 OG SER A 139 1.224 -1.681 -5.646 1.00 0.00 O ATOM 0 H SER A 139 -0.821 -0.710 -6.439 1.00 0.00 H new ATOM 0 HA SER A 139 -1.368 -3.348 -5.655 1.00 0.00 H new ATOM 0 HB2 SER A 139 0.470 -2.105 -3.802 1.00 0.00 H new ATOM 0 HB3 SER A 139 0.675 -3.481 -4.867 1.00 0.00 H new ATOM 0 HG SER A 139 0.931 -0.746 -5.654 1.00 0.00 H new ATOM 699 N VAL A 140 -2.432 -3.313 -3.356 1.00 0.00 N ATOM 700 CA VAL A 140 -2.979 -3.261 -1.989 1.00 0.00 C ATOM 701 C VAL A 140 -1.809 -3.288 -1.003 1.00 0.00 C ATOM 702 O VAL A 140 -0.788 -3.909 -1.277 1.00 0.00 O ATOM 703 CB VAL A 140 -4.015 -4.366 -1.696 1.00 0.00 C ATOM 704 CG1 VAL A 140 -4.659 -4.235 -0.306 1.00 0.00 C ATOM 705 CG2 VAL A 140 -5.183 -4.353 -2.699 1.00 0.00 C ATOM 0 H VAL A 140 -2.428 -4.237 -3.788 1.00 0.00 H new ATOM 0 HA VAL A 140 -3.539 -2.333 -1.876 1.00 0.00 H new ATOM 0 HB VAL A 140 -3.439 -5.288 -1.767 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -5.378 -5.041 -0.161 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -3.886 -4.296 0.460 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -5.170 -3.275 -0.231 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -5.885 -5.149 -2.450 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -5.693 -3.391 -2.651 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -4.799 -4.510 -3.707 1.00 0.00 H new ATOM 715 N TYR A 141 -1.970 -2.608 0.130 1.00 0.00 N ATOM 716 CA TYR A 141 -1.033 -2.415 1.234 1.00 0.00 C ATOM 717 C TYR A 141 -1.713 -2.690 2.574 1.00 0.00 C ATOM 718 O TYR A 141 -2.910 -2.436 2.728 1.00 0.00 O ATOM 719 CB TYR A 141 -0.575 -0.955 1.248 1.00 0.00 C ATOM 720 CG TYR A 141 0.322 -0.611 0.093 1.00 0.00 C ATOM 721 CD1 TYR A 141 -0.219 -0.237 -1.151 1.00 0.00 C ATOM 722 CD2 TYR A 141 1.710 -0.731 0.260 1.00 0.00 C ATOM 723 CE1 TYR A 141 0.632 -0.017 -2.246 1.00 0.00 C ATOM 724 CE2 TYR A 141 2.564 -0.474 -0.819 1.00 0.00 C ATOM 725 CZ TYR A 141 2.030 -0.151 -2.087 1.00 0.00 C ATOM 726 OH TYR A 141 2.851 -0.019 -3.162 1.00 0.00 O ATOM 0 H TYR A 141 -2.851 -2.129 0.316 1.00 0.00 H new ATOM 0 HA TYR A 141 -0.195 -3.098 1.095 1.00 0.00 H new ATOM 0 HB2 TYR A 141 -1.450 -0.305 1.228 1.00 0.00 H new ATOM 0 HB3 TYR A 141 -0.050 -0.753 2.182 1.00 0.00 H new ATOM 0 HD1 TYR A 141 -1.287 -0.119 -1.263 1.00 0.00 H new ATOM 0 HD2 TYR A 141 2.118 -1.020 1.217 1.00 0.00 H new ATOM 0 HE1 TYR A 141 0.220 0.254 -3.207 1.00 0.00 H new ATOM 0 HE2 TYR A 141 3.634 -0.523 -0.682 1.00 0.00 H new ATOM 0 HH TYR A 141 2.727 0.867 -3.562 1.00 0.00 H new ATOM 736 N LYS A 142 -0.947 -3.155 3.563 1.00 0.00 N ATOM 737 CA LYS A 142 -1.459 -3.488 4.889 1.00 0.00 C ATOM 738 C LYS A 142 -0.700 -2.805 6.026 1.00 0.00 C ATOM 739 O LYS A 142 0.509 -2.566 5.957 1.00 0.00 O ATOM 740 CB LYS A 142 -1.411 -5.007 5.080 1.00 0.00 C ATOM 741 CG LYS A 142 -2.526 -5.412 6.036 1.00 0.00 C ATOM 742 CD LYS A 142 -2.605 -6.904 6.308 1.00 0.00 C ATOM 743 CE LYS A 142 -3.870 -7.059 7.149 1.00 0.00 C ATOM 744 NZ LYS A 142 -4.348 -8.461 7.129 1.00 0.00 N ATOM 0 H LYS A 142 0.056 -3.312 3.462 1.00 0.00 H new ATOM 0 HA LYS A 142 -2.484 -3.119 4.935 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -1.532 -5.513 4.122 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -0.442 -5.308 5.479 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -2.385 -4.889 6.982 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -3.479 -5.078 5.626 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -2.669 -7.476 5.382 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -1.724 -7.260 6.843 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -3.669 -6.754 8.176 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -4.649 -6.399 6.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -5.355 -8.488 7.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -4.223 -8.857 6.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -3.801 -9.024 7.812 1.00 0.00 H new ATOM 758 N LEU A 143 -1.424 -2.549 7.113 1.00 0.00 N ATOM 759 CA LEU A 143 -0.838 -2.142 8.381 1.00 0.00 C ATOM 760 C LEU A 143 -0.585 -3.368 9.252 1.00 0.00 C ATOM 761 O LEU A 143 -1.247 -4.395 9.114 1.00 0.00 O ATOM 762 CB LEU A 143 -1.799 -1.187 9.092 1.00 0.00 C ATOM 763 CG LEU A 143 -1.096 -0.326 10.157 1.00 0.00 C ATOM 764 CD1 LEU A 143 -1.498 1.125 9.954 1.00 0.00 C ATOM 765 CD2 LEU A 143 -1.463 -0.727 11.584 1.00 0.00 C ATOM 0 H LEU A 143 -2.441 -2.620 7.135 1.00 0.00 H new ATOM 0 HA LEU A 143 0.111 -1.638 8.201 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -2.269 -0.535 8.356 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -2.596 -1.763 9.563 1.00 0.00 H new ATOM 0 HG LEU A 143 -0.023 -0.475 10.035 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -1.007 1.747 10.702 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -1.197 1.450 8.958 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -2.579 1.221 10.056 1.00 0.00 H new ATOM 0 HD21 LEU A 143 -0.936 -0.084 12.289 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -2.538 -0.619 11.727 1.00 0.00 H new ATOM 0 HD23 LEU A 143 -1.177 -1.765 11.755 1.00 0.00 H new ATOM 777 N ASN A 144 0.358 -3.235 10.168 1.00 0.00 N ATOM 778 CA ASN A 144 0.636 -4.240 11.198 1.00 0.00 C ATOM 779 C ASN A 144 0.276 -3.794 12.631 1.00 0.00 C ATOM 780 O ASN A 144 0.422 -2.628 12.965 1.00 0.00 O ATOM 781 CB ASN A 144 2.121 -4.626 11.122 1.00 0.00 C ATOM 782 CG ASN A 144 3.061 -3.474 10.828 1.00 0.00 C ATOM 783 OD1 ASN A 144 2.860 -2.327 11.203 1.00 0.00 O ATOM 784 ND2 ASN A 144 4.125 -3.807 10.133 1.00 0.00 N ATOM 0 H ASN A 144 0.965 -2.417 10.224 1.00 0.00 H new ATOM 0 HA ASN A 144 -0.007 -5.095 10.990 1.00 0.00 H new ATOM 0 HB2 ASN A 144 2.412 -5.083 12.068 1.00 0.00 H new ATOM 0 HB3 ASN A 144 2.246 -5.385 10.350 1.00 0.00 H new ATOM 0 HD21 ASN A 144 4.817 -3.099 9.889 1.00 0.00 H new ATOM 0 HD22 ASN A 144 4.259 -4.774 9.838 1.00 0.00 H new ATOM 791 N PRO A 145 -0.056 -4.741 13.537 1.00 0.00 N ATOM 792 CA PRO A 145 -0.410 -4.487 14.947 1.00 0.00 C ATOM 793 C PRO A 145 0.739 -3.976 15.826 1.00 0.00 C ATOM 794 O PRO A 145 0.557 -3.725 17.011 1.00 0.00 O ATOM 795 CB PRO A 145 -0.821 -5.856 15.493 1.00 0.00 C ATOM 796 CG PRO A 145 0.098 -6.780 14.703 1.00 0.00 C ATOM 797 CD PRO A 145 -0.019 -6.179 13.311 1.00 0.00 C ATOM 0 HA PRO A 145 -1.173 -3.709 14.974 1.00 0.00 H new ATOM 0 HB2 PRO A 145 -0.659 -5.936 16.568 1.00 0.00 H new ATOM 0 HB3 PRO A 145 -1.874 -6.071 15.313 1.00 0.00 H new ATOM 0 HG2 PRO A 145 1.122 -6.762 15.076 1.00 0.00 H new ATOM 0 HG3 PRO A 145 -0.234 -7.818 14.734 1.00 0.00 H new ATOM 0 HD2 PRO A 145 0.827 -6.461 12.685 1.00 0.00 H new ATOM 0 HD3 PRO A 145 -0.920 -6.524 12.804 1.00 0.00 H new ATOM 805 N VAL A 146 1.937 -3.940 15.255 1.00 0.00 N ATOM 806 CA VAL A 146 3.206 -3.546 15.860 1.00 0.00 C ATOM 807 C VAL A 146 3.072 -2.379 16.859 1.00 0.00 C ATOM 808 O VAL A 146 2.446 -1.357 16.586 1.00 0.00 O ATOM 809 CB VAL A 146 4.259 -3.273 14.769 1.00 0.00 C ATOM 810 CG1 VAL A 146 3.991 -1.971 14.036 1.00 0.00 C ATOM 811 CG2 VAL A 146 5.678 -3.333 15.300 1.00 0.00 C ATOM 0 H VAL A 146 2.057 -4.207 14.278 1.00 0.00 H new ATOM 0 HA VAL A 146 3.551 -4.387 16.461 1.00 0.00 H new ATOM 0 HB VAL A 146 4.163 -4.081 14.044 1.00 0.00 H new ATOM 0 HG11 VAL A 146 4.757 -1.817 13.276 1.00 0.00 H new ATOM 0 HG12 VAL A 146 3.011 -2.016 13.560 1.00 0.00 H new ATOM 0 HG13 VAL A 146 4.012 -1.143 14.745 1.00 0.00 H new ATOM 0 HG21 VAL A 146 6.379 -3.133 14.489 1.00 0.00 H new ATOM 0 HG22 VAL A 146 5.806 -2.585 16.082 1.00 0.00 H new ATOM 0 HG23 VAL A 146 5.871 -4.324 15.711 1.00 0.00 H new ATOM 821 N GLY A 147 3.705 -2.546 18.022 1.00 0.00 N ATOM 822 CA GLY A 147 3.843 -1.587 19.096 1.00 0.00 C ATOM 823 C GLY A 147 5.322 -1.494 19.432 1.00 0.00 C ATOM 824 O GLY A 147 6.107 -2.408 19.191 1.00 0.00 O ATOM 0 H GLY A 147 4.167 -3.428 18.245 1.00 0.00 H new ATOM 0 HA2 GLY A 147 3.456 -0.614 18.794 1.00 0.00 H new ATOM 0 HA3 GLY A 147 3.270 -1.902 19.968 1.00 0.00 H new