USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 463 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 Single : A 4 TYR OH : rot -47:sc= 0.166 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 131:sc= 0.836 USER MOD Single : A 14 HIS : no HD1:sc= -1.02 X(o=-1,f=-0.8) USER MOD Single : A 19 THR OG1 : rot 150:sc= -0.553 USER MOD Single : A 28 ASN : amide:sc=-0.000996 X(o=-0.001,f=-0.033) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.642 X(o=-0.64,f=-1.1) USER MOD Single : A 43 ASN : amide:sc= -0.383 K(o=-0.38,f=-7.8!) USER MOD Single : A 48 MET CE :methyl 155:sc= -2.66! (180deg=-2.77!) USER MOD Single : A 52 ASN : amide:sc= -0.0718 X(o=-0.072,f=-0.35) USER MOD Single : A 55 LYS NZ :NH3+ -170:sc=-0.00467 (180deg=-0.105) USER MOD Single : A 58 LYS NZ :NH3+ -161:sc= 0.647 (180deg=0.443) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 2 66.795 23.447 29.043 1.00 30.78 N ATOM 2 CA VAL A 2 65.578 22.754 29.550 1.00 30.87 C ATOM 3 C VAL A 2 65.494 21.324 29.025 1.00 30.54 C ATOM 4 O VAL A 2 65.872 21.049 27.887 1.00 30.95 O ATOM 5 CB VAL A 2 64.284 23.509 29.165 1.00 30.89 C ATOM 6 CG1 VAL A 2 64.167 24.808 29.948 1.00 31.43 C ATOM 7 CG2 VAL A 2 64.235 23.778 27.667 1.00 33.03 C ATOM 0 HA VAL A 2 65.665 22.735 30.636 1.00 30.87 H new ATOM 0 HB VAL A 2 63.435 22.876 29.422 1.00 30.89 H new ATOM 0 HG11 VAL A 2 63.250 25.324 29.662 1.00 31.43 H new ATOM 0 HG12 VAL A 2 64.142 24.588 31.015 1.00 31.43 H new ATOM 0 HG13 VAL A 2 65.025 25.444 29.728 1.00 31.43 H new ATOM 0 HG21 VAL A 2 63.315 24.310 27.423 1.00 33.03 H new ATOM 0 HG22 VAL A 2 65.093 24.385 27.378 1.00 33.03 H new ATOM 0 HG23 VAL A 2 64.262 22.832 27.126 1.00 33.03 H new ATOM 19 N ASP A 3 64.982 20.421 29.860 1.00 30.12 N ATOM 20 CA ASP A 3 64.851 19.016 29.486 1.00 29.72 C ATOM 21 C ASP A 3 63.538 18.763 28.757 1.00 29.67 C ATOM 22 O ASP A 3 62.579 19.525 28.895 1.00 29.66 O ATOM 23 CB ASP A 3 64.945 18.121 30.724 1.00 29.23 C ATOM 24 CG ASP A 3 66.377 17.897 31.172 1.00 29.67 C ATOM 25 OD1 ASP A 3 66.989 18.846 31.706 1.00 29.71 O ATOM 26 OD2 ASP A 3 66.884 16.770 30.992 1.00 29.24 O ATOM 0 H ASP A 3 64.651 20.639 30.800 1.00 30.12 H new ATOM 0 HA ASP A 3 65.671 18.772 28.810 1.00 29.72 H new ATOM 0 HB2 ASP A 3 64.379 18.573 31.539 1.00 29.23 H new ATOM 0 HB3 ASP A 3 64.480 17.159 30.509 1.00 29.23 H new ATOM 31 N TYR A 4 63.506 17.687 27.976 1.00 29.32 N ATOM 32 CA TYR A 4 62.317 17.316 27.215 1.00 29.16 C ATOM 33 C TYR A 4 62.011 15.832 27.375 1.00 29.47 C ATOM 34 O TYR A 4 62.912 15.021 27.595 1.00 30.11 O ATOM 35 CB TYR A 4 62.508 17.639 25.730 1.00 29.28 C ATOM 36 CG TYR A 4 62.146 19.059 25.344 1.00 28.49 C ATOM 37 CD1 TYR A 4 62.803 20.148 25.903 1.00 28.74 C ATOM 38 CD2 TYR A 4 61.148 19.306 24.411 1.00 26.60 C ATOM 39 CE1 TYR A 4 62.475 21.441 25.544 1.00 29.38 C ATOM 40 CE2 TYR A 4 60.815 20.597 24.045 1.00 26.79 C ATOM 41 CZ TYR A 4 61.481 21.660 24.615 1.00 28.64 C ATOM 42 OH TYR A 4 61.152 22.947 24.254 1.00 30.05 O ATOM 0 H TYR A 4 64.296 17.053 27.853 1.00 29.32 H new ATOM 0 HA TYR A 4 61.479 17.894 27.605 1.00 29.16 H new ATOM 0 HB2 TYR A 4 63.549 17.457 25.463 1.00 29.28 H new ATOM 0 HB3 TYR A 4 61.903 16.950 25.141 1.00 29.28 H new ATOM 0 HD1 TYR A 4 63.583 19.981 26.631 1.00 28.74 H new ATOM 0 HD2 TYR A 4 60.623 18.475 23.963 1.00 26.60 H new ATOM 0 HE1 TYR A 4 62.995 22.276 25.989 1.00 29.38 H new ATOM 0 HE2 TYR A 4 60.037 20.771 23.316 1.00 26.79 H new ATOM 0 HH TYR A 4 61.051 23.497 25.059 1.00 30.05 H new ATOM 52 N ILE A 5 60.734 15.486 27.261 1.00 29.15 N ATOM 53 CA ILE A 5 60.298 14.101 27.365 1.00 29.28 C ATOM 54 C ILE A 5 59.852 13.609 25.996 1.00 29.81 C ATOM 55 O ILE A 5 59.155 14.318 25.271 1.00 30.57 O ATOM 56 CB ILE A 5 59.153 13.919 28.392 1.00 28.41 C ATOM 57 CG1 ILE A 5 58.780 12.436 28.514 1.00 28.15 C ATOM 58 CG2 ILE A 5 57.936 14.752 28.008 1.00 28.40 C ATOM 59 CD1 ILE A 5 57.745 12.153 29.583 1.00 27.84 C ATOM 0 H ILE A 5 59.979 16.151 27.095 1.00 29.15 H new ATOM 0 HA ILE A 5 61.143 13.512 27.720 1.00 29.28 H new ATOM 0 HB ILE A 5 59.504 14.270 29.362 1.00 28.41 H new ATOM 0 HG12 ILE A 5 58.402 12.086 27.554 1.00 28.15 H new ATOM 0 HG13 ILE A 5 59.680 11.861 28.731 1.00 28.15 H new ATOM 0 HG21 ILE A 5 57.147 14.605 28.746 1.00 28.40 H new ATOM 0 HG22 ILE A 5 58.212 15.806 27.976 1.00 28.40 H new ATOM 0 HG23 ILE A 5 57.577 14.441 27.027 1.00 28.40 H new ATOM 0 HD11 ILE A 5 57.532 11.084 29.610 1.00 27.84 H new ATOM 0 HD12 ILE A 5 58.127 12.471 30.553 1.00 27.84 H new ATOM 0 HD13 ILE A 5 56.829 12.699 29.357 1.00 27.84 H new ATOM 71 N VAL A 6 60.245 12.394 25.648 1.00 29.56 N ATOM 72 CA VAL A 6 59.902 11.833 24.350 1.00 29.47 C ATOM 73 C VAL A 6 58.475 11.297 24.352 1.00 29.89 C ATOM 74 O VAL A 6 58.137 10.406 25.128 1.00 29.99 O ATOM 75 CB VAL A 6 60.870 10.704 23.946 1.00 30.29 C ATOM 76 CG1 VAL A 6 60.576 10.228 22.531 1.00 31.15 C ATOM 77 CG2 VAL A 6 62.317 11.163 24.071 1.00 29.36 C ATOM 0 H VAL A 6 60.800 11.779 26.243 1.00 29.56 H new ATOM 0 HA VAL A 6 59.985 12.639 23.621 1.00 29.47 H new ATOM 0 HB VAL A 6 60.721 9.866 24.627 1.00 30.29 H new ATOM 0 HG11 VAL A 6 61.270 9.431 22.264 1.00 31.15 H new ATOM 0 HG12 VAL A 6 59.554 9.853 22.478 1.00 31.15 H new ATOM 0 HG13 VAL A 6 60.693 11.059 21.836 1.00 31.15 H new ATOM 0 HG21 VAL A 6 62.983 10.350 23.781 1.00 29.36 H new ATOM 0 HG22 VAL A 6 62.485 12.020 23.418 1.00 29.36 H new ATOM 0 HG23 VAL A 6 62.520 11.448 25.103 1.00 29.36 H new ATOM 87 N GLU A 7 57.640 11.863 23.490 1.00 30.09 N ATOM 88 CA GLU A 7 56.249 11.439 23.374 1.00 29.69 C ATOM 89 C GLU A 7 56.046 10.557 22.139 1.00 29.64 C ATOM 90 O GLU A 7 55.067 9.812 22.058 1.00 29.82 O ATOM 91 CB GLU A 7 55.322 12.658 23.307 1.00 29.23 C ATOM 92 CG GLU A 7 55.549 13.669 24.423 1.00 30.93 C ATOM 93 CD GLU A 7 55.313 13.085 25.804 1.00 33.77 C ATOM 94 OE1 GLU A 7 56.265 12.517 26.379 1.00 33.85 O ATOM 95 OE2 GLU A 7 54.177 13.197 26.309 1.00 37.96 O ATOM 0 H GLU A 7 57.902 12.620 22.858 1.00 30.09 H new ATOM 0 HA GLU A 7 56.001 10.853 24.259 1.00 29.69 H new ATOM 0 HB2 GLU A 7 55.460 13.155 22.347 1.00 29.23 H new ATOM 0 HB3 GLU A 7 54.287 12.318 23.344 1.00 29.23 H new ATOM 0 HG2 GLU A 7 56.570 14.046 24.363 1.00 30.93 H new ATOM 0 HG3 GLU A 7 54.885 14.521 24.276 1.00 30.93 H new ATOM 102 N TYR A 8 56.974 10.647 21.181 1.00 29.48 N ATOM 103 CA TYR A 8 56.901 9.859 19.956 1.00 29.39 C ATOM 104 C TYR A 8 58.231 9.166 19.683 1.00 29.65 C ATOM 105 O TYR A 8 59.298 9.765 19.847 1.00 29.97 O ATOM 106 CB TYR A 8 56.525 10.751 18.768 1.00 28.72 C ATOM 107 CG TYR A 8 55.144 11.358 18.870 1.00 28.86 C ATOM 108 CD1 TYR A 8 54.913 12.477 19.660 1.00 28.78 C ATOM 109 CD2 TYR A 8 54.071 10.813 18.178 1.00 27.36 C ATOM 110 CE1 TYR A 8 53.653 13.036 19.756 1.00 25.45 C ATOM 111 CE2 TYR A 8 52.807 11.365 18.267 1.00 26.64 C ATOM 112 CZ TYR A 8 52.604 12.476 19.058 1.00 25.68 C ATOM 113 OH TYR A 8 51.345 13.027 19.150 1.00 28.95 O ATOM 0 H TYR A 8 57.786 11.262 21.235 1.00 29.48 H new ATOM 0 HA TYR A 8 56.130 9.099 20.086 1.00 29.39 H new ATOM 0 HB2 TYR A 8 57.258 11.553 18.682 1.00 28.72 H new ATOM 0 HB3 TYR A 8 56.586 10.164 17.852 1.00 28.72 H new ATOM 0 HD1 TYR A 8 55.732 12.918 20.209 1.00 28.78 H new ATOM 0 HD2 TYR A 8 54.227 9.942 17.559 1.00 27.36 H new ATOM 0 HE1 TYR A 8 53.491 13.907 20.374 1.00 25.45 H new ATOM 0 HE2 TYR A 8 51.984 10.929 17.721 1.00 26.64 H new ATOM 0 HH TYR A 8 50.722 12.513 18.596 1.00 28.95 H new ATOM 123 N ASP A 9 58.163 7.906 19.263 1.00 29.76 N ATOM 124 CA ASP A 9 59.363 7.131 18.969 1.00 29.81 C ATOM 125 C ASP A 9 59.977 7.574 17.643 1.00 29.68 C ATOM 126 O ASP A 9 59.295 7.621 16.618 1.00 29.46 O ATOM 127 CB ASP A 9 59.037 5.635 18.921 1.00 30.13 C ATOM 128 CG ASP A 9 60.283 4.771 18.864 1.00 30.81 C ATOM 129 OD1 ASP A 9 60.799 4.542 17.749 1.00 30.72 O ATOM 130 OD2 ASP A 9 60.742 4.323 19.935 1.00 32.05 O ATOM 0 H ASP A 9 57.289 7.400 19.119 1.00 29.76 H new ATOM 0 HA ASP A 9 60.086 7.308 19.766 1.00 29.81 H new ATOM 0 HB2 ASP A 9 58.452 5.365 19.800 1.00 30.13 H new ATOM 0 HB3 ASP A 9 58.416 5.429 18.049 1.00 30.13 H new ATOM 135 N TYR A 10 61.270 7.891 17.671 1.00 29.78 N ATOM 136 CA TYR A 10 61.985 8.335 16.481 1.00 30.21 C ATOM 137 C TYR A 10 63.104 7.357 16.140 1.00 30.35 C ATOM 138 O TYR A 10 63.877 6.957 17.013 1.00 30.57 O ATOM 139 CB TYR A 10 62.560 9.737 16.702 1.00 31.02 C ATOM 140 CG TYR A 10 63.167 10.355 15.461 1.00 31.33 C ATOM 141 CD1 TYR A 10 62.362 10.884 14.459 1.00 32.60 C ATOM 142 CD2 TYR A 10 64.545 10.415 15.294 1.00 30.04 C ATOM 143 CE1 TYR A 10 62.913 11.451 13.326 1.00 31.19 C ATOM 144 CE2 TYR A 10 65.103 10.982 14.165 1.00 29.34 C ATOM 145 CZ TYR A 10 64.283 11.499 13.184 1.00 31.13 C ATOM 146 OH TYR A 10 64.835 12.067 12.058 1.00 33.98 O ATOM 0 H TYR A 10 61.845 7.847 18.512 1.00 29.78 H new ATOM 0 HA TYR A 10 61.285 8.370 15.647 1.00 30.21 H new ATOM 0 HB2 TYR A 10 61.768 10.389 17.071 1.00 31.02 H new ATOM 0 HB3 TYR A 10 63.321 9.688 17.481 1.00 31.02 H new ATOM 0 HD1 TYR A 10 61.288 10.851 14.568 1.00 32.60 H new ATOM 0 HD2 TYR A 10 65.191 10.011 16.060 1.00 30.04 H new ATOM 0 HE1 TYR A 10 62.273 11.855 12.555 1.00 31.19 H new ATOM 0 HE2 TYR A 10 66.176 11.020 14.051 1.00 29.34 H new ATOM 0 HH TYR A 10 65.528 12.708 12.321 1.00 33.98 H new ATOM 156 N ASP A 11 63.186 6.979 14.868 1.00 30.13 N ATOM 157 CA ASP A 11 64.208 6.044 14.411 1.00 30.20 C ATOM 158 C ASP A 11 65.429 6.791 13.890 1.00 30.27 C ATOM 159 O ASP A 11 65.327 7.941 13.456 1.00 30.27 O ATOM 160 CB ASP A 11 63.648 5.129 13.315 1.00 30.58 C ATOM 161 CG ASP A 11 63.255 5.891 12.060 1.00 33.58 C ATOM 162 OD1 ASP A 11 62.103 6.368 11.990 1.00 34.44 O ATOM 163 OD2 ASP A 11 64.101 6.011 11.148 1.00 36.69 O ATOM 0 H ASP A 11 62.556 7.306 14.135 1.00 30.13 H new ATOM 0 HA ASP A 11 64.510 5.432 15.261 1.00 30.20 H new ATOM 0 HB2 ASP A 11 64.394 4.376 13.060 1.00 30.58 H new ATOM 0 HB3 ASP A 11 62.778 4.598 13.700 1.00 30.58 H new ATOM 168 N ALA A 12 66.583 6.133 13.935 1.00 30.24 N ATOM 169 CA ALA A 12 67.820 6.731 13.460 1.00 30.06 C ATOM 170 C ALA A 12 67.755 6.969 11.956 1.00 30.11 C ATOM 171 O ALA A 12 67.655 6.024 11.169 1.00 30.10 O ATOM 172 CB ALA A 12 69.012 5.849 13.810 1.00 30.62 C ATOM 0 H ALA A 12 66.685 5.185 14.296 1.00 30.24 H new ATOM 0 HA ALA A 12 67.948 7.693 13.956 1.00 30.06 H new ATOM 0 HB1 ALA A 12 69.928 6.314 13.446 1.00 30.62 H new ATOM 0 HB2 ALA A 12 69.071 5.729 14.892 1.00 30.62 H new ATOM 0 HB3 ALA A 12 68.891 4.872 13.343 1.00 30.62 H new ATOM 178 N VAL A 13 67.808 8.238 11.566 1.00 29.95 N ATOM 179 CA VAL A 13 67.759 8.618 10.156 1.00 29.45 C ATOM 180 C VAL A 13 69.134 9.096 9.683 1.00 29.31 C ATOM 181 O VAL A 13 69.471 8.972 8.504 1.00 29.46 O ATOM 182 CB VAL A 13 66.710 9.723 9.902 1.00 29.06 C ATOM 183 CG1 VAL A 13 66.647 10.081 8.423 1.00 30.56 C ATOM 184 CG2 VAL A 13 65.341 9.289 10.407 1.00 29.65 C ATOM 0 H VAL A 13 67.885 9.026 12.209 1.00 29.95 H new ATOM 0 HA VAL A 13 67.468 7.733 9.590 1.00 29.45 H new ATOM 0 HB VAL A 13 67.014 10.612 10.454 1.00 29.06 H new ATOM 0 HG11 VAL A 13 65.901 10.861 8.269 1.00 30.56 H new ATOM 0 HG12 VAL A 13 67.622 10.441 8.094 1.00 30.56 H new ATOM 0 HG13 VAL A 13 66.373 9.198 7.846 1.00 30.56 H new ATOM 0 HG21 VAL A 13 64.616 10.081 10.219 1.00 29.65 H new ATOM 0 HG22 VAL A 13 65.032 8.383 9.886 1.00 29.65 H new ATOM 0 HG23 VAL A 13 65.394 9.092 11.478 1.00 29.65 H new ATOM 194 N HIS A 14 69.922 9.634 10.616 1.00 29.13 N ATOM 195 CA HIS A 14 71.262 10.128 10.320 1.00 28.39 C ATOM 196 C HIS A 14 72.170 9.951 11.537 1.00 29.24 C ATOM 197 O HIS A 14 71.742 9.439 12.574 1.00 29.61 O ATOM 198 CB HIS A 14 71.215 11.606 9.913 1.00 27.81 C ATOM 199 CG HIS A 14 70.491 11.858 8.627 1.00 25.07 C ATOM 200 ND1 HIS A 14 69.257 12.472 8.563 1.00 22.40 N ATOM 201 CD2 HIS A 14 70.836 11.579 7.348 1.00 23.14 C ATOM 202 CE1 HIS A 14 68.876 12.559 7.301 1.00 22.51 C ATOM 203 NE2 HIS A 14 69.817 12.025 6.545 1.00 22.51 N ATOM 0 H HIS A 14 69.648 9.738 11.593 1.00 29.13 H new ATOM 0 HA HIS A 14 71.665 9.551 9.488 1.00 28.39 H new ATOM 0 HB2 HIS A 14 70.734 12.176 10.707 1.00 27.81 H new ATOM 0 HB3 HIS A 14 72.235 11.981 9.824 1.00 27.81 H new ATOM 0 HD2 HIS A 14 71.744 11.095 7.021 1.00 23.14 H new ATOM 0 HE1 HIS A 14 67.952 12.993 6.948 1.00 22.51 H new ATOM 0 HE2 HIS A 14 69.791 11.955 5.528 1.00 22.51 H new ATOM 212 N ASP A 15 73.421 10.378 11.405 1.00 29.77 N ATOM 213 CA ASP A 15 74.389 10.273 12.497 1.00 30.43 C ATOM 214 C ASP A 15 74.133 11.346 13.556 1.00 30.50 C ATOM 215 O ASP A 15 74.420 11.141 14.736 1.00 31.20 O ATOM 216 CB ASP A 15 75.819 10.396 11.960 1.00 30.36 C ATOM 217 CG ASP A 15 76.181 9.274 11.005 1.00 32.92 C ATOM 218 OD1 ASP A 15 76.659 8.222 11.479 1.00 35.80 O ATOM 219 OD2 ASP A 15 75.987 9.449 9.783 1.00 32.02 O ATOM 0 H ASP A 15 73.791 10.801 10.554 1.00 29.77 H new ATOM 0 HA ASP A 15 74.270 9.294 12.961 1.00 30.43 H new ATOM 0 HB2 ASP A 15 75.931 11.353 11.450 1.00 30.36 H new ATOM 0 HB3 ASP A 15 76.518 10.397 12.796 1.00 30.36 H new ATOM 224 N ASP A 16 73.588 12.487 13.125 1.00 30.30 N ATOM 225 CA ASP A 16 73.285 13.590 14.032 1.00 30.17 C ATOM 226 C ASP A 16 71.834 13.532 14.523 1.00 30.41 C ATOM 227 O ASP A 16 71.370 14.453 15.193 1.00 30.40 O ATOM 228 CB ASP A 16 73.549 14.933 13.340 1.00 30.03 C ATOM 229 CG ASP A 16 72.653 15.155 12.133 1.00 31.37 C ATOM 230 OD1 ASP A 16 73.004 14.673 11.036 1.00 32.58 O ATOM 231 OD2 ASP A 16 71.599 15.808 12.289 1.00 32.50 O ATOM 0 H ASP A 16 73.348 12.668 12.150 1.00 30.30 H new ATOM 0 HA ASP A 16 73.939 13.495 14.899 1.00 30.17 H new ATOM 0 HB2 ASP A 16 73.396 15.742 14.055 1.00 30.03 H new ATOM 0 HB3 ASP A 16 74.592 14.977 13.027 1.00 30.03 H new ATOM 236 N GLU A 17 71.120 12.452 14.187 1.00 29.99 N ATOM 237 CA GLU A 17 69.736 12.287 14.609 1.00 30.29 C ATOM 238 C GLU A 17 69.668 11.440 15.872 1.00 30.27 C ATOM 239 O GLU A 17 70.285 10.375 15.949 1.00 30.41 O ATOM 240 CB GLU A 17 68.900 11.650 13.497 1.00 30.81 C ATOM 241 CG GLU A 17 68.661 12.574 12.311 1.00 31.61 C ATOM 242 CD GLU A 17 68.021 13.888 12.715 1.00 33.47 C ATOM 243 OE1 GLU A 17 66.821 13.886 13.056 1.00 33.82 O ATOM 244 OE2 GLU A 17 68.722 14.921 12.694 1.00 36.11 O ATOM 0 H GLU A 17 71.483 11.683 13.624 1.00 29.99 H new ATOM 0 HA GLU A 17 69.324 13.273 14.823 1.00 30.29 H new ATOM 0 HB2 GLU A 17 69.401 10.747 13.149 1.00 30.81 H new ATOM 0 HB3 GLU A 17 67.938 11.342 13.907 1.00 30.81 H new ATOM 0 HG2 GLU A 17 69.610 12.774 11.814 1.00 31.61 H new ATOM 0 HG3 GLU A 17 68.022 12.070 11.586 1.00 31.61 H new ATOM 251 N LEU A 18 68.916 11.916 16.859 1.00 30.14 N ATOM 252 CA LEU A 18 68.780 11.209 18.124 1.00 30.21 C ATOM 253 C LEU A 18 67.628 10.215 18.076 1.00 30.38 C ATOM 254 O LEU A 18 66.487 10.586 17.793 1.00 30.74 O ATOM 255 CB LEU A 18 68.567 12.201 19.270 1.00 30.00 C ATOM 256 CG LEU A 18 69.477 11.998 20.485 1.00 30.27 C ATOM 257 CD1 LEU A 18 69.123 12.987 21.584 1.00 28.58 C ATOM 258 CD2 LEU A 18 69.380 10.568 20.998 1.00 28.44 C ATOM 0 H LEU A 18 68.392 12.789 16.806 1.00 30.14 H new ATOM 0 HA LEU A 18 69.703 10.656 18.299 1.00 30.21 H new ATOM 0 HB2 LEU A 18 68.717 13.211 18.888 1.00 30.00 H new ATOM 0 HB3 LEU A 18 67.530 12.136 19.598 1.00 30.00 H new ATOM 0 HG LEU A 18 70.507 12.179 20.177 1.00 30.27 H new ATOM 0 HD11 LEU A 18 69.779 12.829 22.440 1.00 28.58 H new ATOM 0 HD12 LEU A 18 69.249 14.004 21.213 1.00 28.58 H new ATOM 0 HD13 LEU A 18 68.087 12.838 21.888 1.00 28.58 H new ATOM 0 HD21 LEU A 18 70.034 10.446 21.861 1.00 28.44 H new ATOM 0 HD22 LEU A 18 68.352 10.355 21.289 1.00 28.44 H new ATOM 0 HD23 LEU A 18 69.685 9.878 20.211 1.00 28.44 H new ATOM 270 N THR A 19 67.937 8.951 18.360 1.00 30.23 N ATOM 271 CA THR A 19 66.929 7.902 18.368 1.00 29.85 C ATOM 272 C THR A 19 66.188 7.933 19.700 1.00 30.16 C ATOM 273 O THR A 19 66.537 7.214 20.639 1.00 30.81 O ATOM 274 CB THR A 19 67.553 6.505 18.146 1.00 28.87 C ATOM 275 OG1 THR A 19 68.343 6.509 16.950 1.00 30.34 O ATOM 276 CG2 THR A 19 66.476 5.434 18.037 1.00 27.27 C ATOM 0 H THR A 19 68.879 8.632 18.587 1.00 30.23 H new ATOM 0 HA THR A 19 66.237 8.086 17.546 1.00 29.85 H new ATOM 0 HB THR A 19 68.184 6.276 19.005 1.00 28.87 H new ATOM 0 HG1 THR A 19 69.079 5.868 17.042 1.00 30.34 H new ATOM 0 HG21 THR A 19 66.944 4.462 17.881 1.00 27.27 H new ATOM 0 HG22 THR A 19 65.891 5.412 18.956 1.00 27.27 H new ATOM 0 HG23 THR A 19 65.821 5.661 17.195 1.00 27.27 H new ATOM 284 N ILE A 20 65.171 8.788 19.776 1.00 30.01 N ATOM 285 CA ILE A 20 64.389 8.951 20.995 1.00 29.56 C ATOM 286 C ILE A 20 63.196 7.997 21.034 1.00 29.93 C ATOM 287 O ILE A 20 62.574 7.725 20.009 1.00 30.39 O ATOM 288 CB ILE A 20 63.878 10.405 21.135 1.00 29.12 C ATOM 289 CG1 ILE A 20 62.941 10.767 19.974 1.00 29.01 C ATOM 290 CG2 ILE A 20 65.050 11.378 21.194 1.00 26.69 C ATOM 291 CD1 ILE A 20 62.368 12.164 20.067 1.00 23.44 C ATOM 0 H ILE A 20 64.869 9.381 19.003 1.00 30.01 H new ATOM 0 HA ILE A 20 65.053 8.716 21.827 1.00 29.56 H new ATOM 0 HB ILE A 20 63.315 10.480 22.065 1.00 29.12 H new ATOM 0 HG12 ILE A 20 63.486 10.669 19.035 1.00 29.01 H new ATOM 0 HG13 ILE A 20 62.121 10.049 19.943 1.00 29.01 H new ATOM 0 HG21 ILE A 20 64.673 12.396 21.292 1.00 26.69 H new ATOM 0 HG22 ILE A 20 65.678 11.139 22.052 1.00 26.69 H new ATOM 0 HG23 ILE A 20 65.638 11.296 20.280 1.00 26.69 H new ATOM 0 HD11 ILE A 20 61.716 12.348 19.213 1.00 23.44 H new ATOM 0 HD12 ILE A 20 61.794 12.261 20.989 1.00 23.44 H new ATOM 0 HD13 ILE A 20 63.180 12.891 20.067 1.00 23.44 H new ATOM 303 N ARG A 21 62.895 7.482 22.226 1.00 29.61 N ATOM 304 CA ARG A 21 61.770 6.569 22.408 1.00 29.35 C ATOM 305 C ARG A 21 60.787 7.144 23.422 1.00 29.47 C ATOM 306 O ARG A 21 61.195 7.755 24.411 1.00 29.56 O ATOM 307 CB ARG A 21 62.253 5.188 22.863 1.00 28.81 C ATOM 308 CG ARG A 21 63.222 4.520 21.896 1.00 27.09 C ATOM 309 CD ARG A 21 64.653 4.991 22.120 1.00 24.85 C ATOM 310 NE ARG A 21 65.148 4.629 23.449 1.00 22.16 N ATOM 311 CZ ARG A 21 65.990 5.377 24.169 1.00 21.44 C ATOM 312 NH1 ARG A 21 66.438 6.540 23.698 1.00 18.82 N ATOM 313 NH2 ARG A 21 66.384 4.960 25.366 1.00 20.39 N ATOM 0 H ARG A 21 63.416 7.683 23.080 1.00 29.61 H new ATOM 0 HA ARG A 21 61.265 6.453 21.449 1.00 29.35 H new ATOM 0 HB2 ARG A 21 62.736 5.286 23.835 1.00 28.81 H new ATOM 0 HB3 ARG A 21 61.388 4.539 23.000 1.00 28.81 H new ATOM 0 HG2 ARG A 21 63.171 3.438 22.019 1.00 27.09 H new ATOM 0 HG3 ARG A 21 62.923 4.739 20.871 1.00 27.09 H new ATOM 0 HD2 ARG A 21 65.301 4.554 21.360 1.00 24.85 H new ATOM 0 HD3 ARG A 21 64.702 6.073 21.997 1.00 24.85 H new ATOM 0 HE ARG A 21 64.829 3.748 23.852 1.00 22.16 H new ATOM 0 HH11 ARG A 21 66.139 6.868 22.780 1.00 18.82 H new ATOM 0 HH12 ARG A 21 67.080 7.103 24.256 1.00 18.82 H new ATOM 0 HH21 ARG A 21 66.044 4.071 25.734 1.00 20.39 H new ATOM 0 HH22 ARG A 21 67.026 5.528 25.918 1.00 20.39 H new ATOM 327 N VAL A 22 59.492 6.940 23.174 1.00 29.39 N ATOM 328 CA VAL A 22 58.442 7.455 24.053 1.00 29.82 C ATOM 329 C VAL A 22 58.705 7.114 25.522 1.00 30.17 C ATOM 330 O VAL A 22 58.885 5.947 25.878 1.00 30.31 O ATOM 331 CB VAL A 22 57.049 6.913 23.658 1.00 30.17 C ATOM 332 CG1 VAL A 22 55.962 7.554 24.510 1.00 31.46 C ATOM 333 CG2 VAL A 22 56.776 7.144 22.178 1.00 29.01 C ATOM 0 H VAL A 22 59.145 6.420 22.368 1.00 29.39 H new ATOM 0 HA VAL A 22 58.455 8.538 23.932 1.00 29.82 H new ATOM 0 HB VAL A 22 57.040 5.838 23.841 1.00 30.17 H new ATOM 0 HG11 VAL A 22 54.989 7.159 24.216 1.00 31.46 H new ATOM 0 HG12 VAL A 22 56.143 7.328 25.561 1.00 31.46 H new ATOM 0 HG13 VAL A 22 55.974 8.634 24.364 1.00 31.46 H new ATOM 0 HG21 VAL A 22 55.790 6.754 21.925 1.00 29.01 H new ATOM 0 HG22 VAL A 22 56.810 8.212 21.964 1.00 29.01 H new ATOM 0 HG23 VAL A 22 57.533 6.631 21.584 1.00 29.01 H new ATOM 343 N GLY A 23 58.729 8.148 26.364 1.00 30.09 N ATOM 344 CA GLY A 23 58.953 7.960 27.786 1.00 30.09 C ATOM 345 C GLY A 23 60.343 8.364 28.243 1.00 30.28 C ATOM 346 O GLY A 23 60.566 8.548 29.442 1.00 30.60 O ATOM 0 H GLY A 23 58.596 9.119 26.081 1.00 30.09 H new ATOM 0 HA2 GLY A 23 58.215 8.539 28.341 1.00 30.09 H new ATOM 0 HA3 GLY A 23 58.788 6.912 28.035 1.00 30.09 H new ATOM 350 N GLU A 24 61.281 8.505 27.307 1.00 30.33 N ATOM 351 CA GLU A 24 62.651 8.876 27.650 1.00 30.48 C ATOM 352 C GLU A 24 62.799 10.378 27.868 1.00 30.44 C ATOM 353 O GLU A 24 62.004 11.176 27.370 1.00 31.01 O ATOM 354 CB GLU A 24 63.615 8.405 26.555 1.00 30.44 C ATOM 355 CG GLU A 24 64.035 6.947 26.692 1.00 31.30 C ATOM 356 CD GLU A 24 62.869 6.016 26.982 1.00 34.49 C ATOM 357 OE1 GLU A 24 62.196 5.588 26.021 1.00 35.80 O ATOM 358 OE2 GLU A 24 62.631 5.714 28.170 1.00 33.15 O ATOM 0 H GLU A 24 61.117 8.368 26.310 1.00 30.33 H new ATOM 0 HA GLU A 24 62.899 8.382 28.590 1.00 30.48 H new ATOM 0 HB2 GLU A 24 63.144 8.548 25.583 1.00 30.44 H new ATOM 0 HB3 GLU A 24 64.506 9.033 26.573 1.00 30.44 H new ATOM 0 HG2 GLU A 24 64.527 6.629 25.773 1.00 31.30 H new ATOM 0 HG3 GLU A 24 64.769 6.860 27.493 1.00 31.30 H new ATOM 365 N ILE A 25 63.828 10.745 28.627 1.00 29.91 N ATOM 366 CA ILE A 25 64.114 12.144 28.925 1.00 29.69 C ATOM 367 C ILE A 25 65.434 12.558 28.283 1.00 29.98 C ATOM 368 O ILE A 25 66.460 11.900 28.471 1.00 30.38 O ATOM 369 CB ILE A 25 64.178 12.403 30.449 1.00 29.62 C ATOM 370 CG1 ILE A 25 62.865 11.985 31.122 1.00 29.46 C ATOM 371 CG2 ILE A 25 64.479 13.870 30.733 1.00 29.30 C ATOM 372 CD1 ILE A 25 61.648 12.732 30.615 1.00 30.29 C ATOM 0 H ILE A 25 64.482 10.086 29.050 1.00 29.91 H new ATOM 0 HA ILE A 25 63.300 12.740 28.513 1.00 29.69 H new ATOM 0 HB ILE A 25 64.986 11.800 30.864 1.00 29.62 H new ATOM 0 HG12 ILE A 25 62.713 10.917 30.967 1.00 29.46 H new ATOM 0 HG13 ILE A 25 62.953 12.142 32.197 1.00 29.46 H new ATOM 0 HG21 ILE A 25 64.520 14.031 31.810 1.00 29.30 H new ATOM 0 HG22 ILE A 25 65.438 14.137 30.290 1.00 29.30 H new ATOM 0 HG23 ILE A 25 63.694 14.492 30.302 1.00 29.30 H new ATOM 0 HD11 ILE A 25 60.760 12.379 31.140 1.00 30.29 H new ATOM 0 HD12 ILE A 25 61.776 13.800 30.794 1.00 30.29 H new ATOM 0 HD13 ILE A 25 61.532 12.555 29.546 1.00 30.29 H new ATOM 384 N ILE A 26 65.401 13.653 27.530 1.00 29.87 N ATOM 385 CA ILE A 26 66.592 14.148 26.848 1.00 29.43 C ATOM 386 C ILE A 26 67.244 15.278 27.644 1.00 29.27 C ATOM 387 O ILE A 26 66.593 16.269 27.984 1.00 29.24 O ATOM 388 CB ILE A 26 66.268 14.629 25.420 1.00 29.75 C ATOM 389 CG1 ILE A 26 65.461 13.562 24.672 1.00 29.52 C ATOM 390 CG2 ILE A 26 67.553 14.951 24.669 1.00 30.89 C ATOM 391 CD1 ILE A 26 64.998 13.997 23.300 1.00 32.07 C ATOM 0 H ILE A 26 64.563 14.214 27.377 1.00 29.87 H new ATOM 0 HA ILE A 26 67.293 13.316 26.776 1.00 29.43 H new ATOM 0 HB ILE A 26 65.667 15.536 25.482 1.00 29.75 H new ATOM 0 HG12 ILE A 26 66.070 12.663 24.572 1.00 29.52 H new ATOM 0 HG13 ILE A 26 64.591 13.292 25.270 1.00 29.52 H new ATOM 0 HG21 ILE A 26 67.311 15.290 23.662 1.00 30.89 H new ATOM 0 HG22 ILE A 26 68.095 15.737 25.195 1.00 30.89 H new ATOM 0 HG23 ILE A 26 68.175 14.057 24.612 1.00 30.89 H new ATOM 0 HD11 ILE A 26 64.434 13.189 22.833 1.00 32.07 H new ATOM 0 HD12 ILE A 26 64.362 14.877 23.393 1.00 32.07 H new ATOM 0 HD13 ILE A 26 65.864 14.238 22.683 1.00 32.07 H new ATOM 403 N ARG A 27 68.534 15.114 27.935 1.00 28.99 N ATOM 404 CA ARG A 27 69.288 16.093 28.719 1.00 29.24 C ATOM 405 C ARG A 27 69.564 17.378 27.942 1.00 29.28 C ATOM 406 O ARG A 27 70.139 17.345 26.854 1.00 29.72 O ATOM 407 CB ARG A 27 70.612 15.487 29.188 1.00 28.90 C ATOM 408 CG ARG A 27 70.448 14.286 30.107 1.00 28.44 C ATOM 409 CD ARG A 27 71.785 13.622 30.398 1.00 27.70 C ATOM 410 NE ARG A 27 72.377 13.028 29.197 1.00 24.46 N ATOM 411 CZ ARG A 27 73.689 12.853 29.013 1.00 23.71 C ATOM 412 NH1 ARG A 27 74.561 13.223 29.949 1.00 22.46 N ATOM 413 NH2 ARG A 27 74.130 12.304 27.887 1.00 19.02 N ATOM 0 H ARG A 27 69.082 14.307 27.637 1.00 28.99 H new ATOM 0 HA ARG A 27 68.670 16.353 29.578 1.00 29.24 H new ATOM 0 HB2 ARG A 27 71.193 15.188 28.315 1.00 28.90 H new ATOM 0 HB3 ARG A 27 71.188 16.253 29.707 1.00 28.90 H new ATOM 0 HG2 ARG A 27 69.986 14.602 31.042 1.00 28.44 H new ATOM 0 HG3 ARG A 27 69.774 13.563 29.647 1.00 28.44 H new ATOM 0 HD2 ARG A 27 72.472 14.358 30.814 1.00 27.70 H new ATOM 0 HD3 ARG A 27 71.649 12.849 31.155 1.00 27.70 H new ATOM 0 HE ARG A 27 71.747 12.729 28.453 1.00 24.46 H new ATOM 0 HH11 ARG A 27 74.230 13.645 30.817 1.00 22.46 H new ATOM 0 HH12 ARG A 27 75.560 13.085 29.798 1.00 22.46 H new ATOM 0 HH21 ARG A 27 73.468 12.017 27.166 1.00 19.02 H new ATOM 0 HH22 ARG A 27 75.131 12.169 27.743 1.00 19.02 H new ATOM 427 N ASN A 28 69.148 18.505 28.523 1.00 28.86 N ATOM 428 CA ASN A 28 69.357 19.827 27.933 1.00 28.88 C ATOM 429 C ASN A 28 68.930 19.887 26.467 1.00 29.38 C ATOM 430 O ASN A 28 69.768 19.925 25.562 1.00 29.65 O ATOM 431 CB ASN A 28 70.824 20.250 28.079 1.00 27.93 C ATOM 432 CG ASN A 28 71.048 21.709 27.722 1.00 28.84 C ATOM 433 OD1 ASN A 28 71.365 22.039 26.580 1.00 29.64 O ATOM 434 ND2 ASN A 28 70.882 22.594 28.701 1.00 28.08 N ATOM 0 H ASN A 28 68.656 18.526 29.416 1.00 28.86 H new ATOM 0 HA ASN A 28 68.723 20.525 28.480 1.00 28.88 H new ATOM 0 HB2 ASN A 28 71.148 20.077 29.105 1.00 27.93 H new ATOM 0 HB3 ASN A 28 71.445 19.623 27.439 1.00 27.93 H new ATOM 0 HD21 ASN A 28 71.018 23.588 28.518 1.00 28.08 H new ATOM 0 HD22 ASN A 28 70.619 22.278 29.635 1.00 28.08 H new ATOM 441 N VAL A 29 67.621 19.876 26.241 1.00 29.23 N ATOM 442 CA VAL A 29 67.079 19.963 24.892 1.00 29.16 C ATOM 443 C VAL A 29 66.931 21.421 24.474 1.00 29.69 C ATOM 444 O VAL A 29 66.069 22.141 24.983 1.00 30.31 O ATOM 445 CB VAL A 29 65.717 19.250 24.775 1.00 28.68 C ATOM 446 CG1 VAL A 29 65.099 19.483 23.405 1.00 29.28 C ATOM 447 CG2 VAL A 29 65.874 17.764 25.049 1.00 28.81 C ATOM 0 H VAL A 29 66.916 19.808 26.975 1.00 29.23 H new ATOM 0 HA VAL A 29 67.782 19.461 24.227 1.00 29.16 H new ATOM 0 HB VAL A 29 65.044 19.670 25.522 1.00 28.68 H new ATOM 0 HG11 VAL A 29 64.139 18.970 23.347 1.00 29.28 H new ATOM 0 HG12 VAL A 29 64.949 20.552 23.250 1.00 29.28 H new ATOM 0 HG13 VAL A 29 65.765 19.095 22.635 1.00 29.28 H new ATOM 0 HG21 VAL A 29 64.904 17.274 24.963 1.00 28.81 H new ATOM 0 HG22 VAL A 29 66.565 17.332 24.325 1.00 28.81 H new ATOM 0 HG23 VAL A 29 66.266 17.619 26.056 1.00 28.81 H new ATOM 457 N LYS A 30 67.784 21.847 23.547 1.00 29.93 N ATOM 458 CA LYS A 30 67.771 23.219 23.060 1.00 30.02 C ATOM 459 C LYS A 30 67.164 23.289 21.663 1.00 29.92 C ATOM 460 O LYS A 30 67.119 22.289 20.945 1.00 29.72 O ATOM 461 CB LYS A 30 69.199 23.777 23.042 1.00 30.09 C ATOM 462 CG LYS A 30 69.273 25.295 23.072 1.00 31.17 C ATOM 463 CD LYS A 30 68.794 25.853 24.403 1.00 36.15 C ATOM 464 CE LYS A 30 68.933 27.365 24.458 1.00 38.13 C ATOM 465 NZ LYS A 30 68.559 27.911 25.793 1.00 38.77 N ATOM 0 H LYS A 30 68.496 21.256 23.117 1.00 29.93 H new ATOM 0 HA LYS A 30 67.158 23.821 23.731 1.00 30.02 H new ATOM 0 HB2 LYS A 30 69.743 23.380 23.899 1.00 30.09 H new ATOM 0 HB3 LYS A 30 69.707 23.417 22.147 1.00 30.09 H new ATOM 0 HG2 LYS A 30 70.300 25.613 22.892 1.00 31.17 H new ATOM 0 HG3 LYS A 30 68.666 25.705 22.265 1.00 31.17 H new ATOM 0 HD2 LYS A 30 67.751 25.577 24.560 1.00 36.15 H new ATOM 0 HD3 LYS A 30 69.368 25.405 25.214 1.00 36.15 H new ATOM 0 HE2 LYS A 30 69.961 27.643 24.227 1.00 38.13 H new ATOM 0 HE3 LYS A 30 68.302 27.815 23.692 1.00 38.13 H new ATOM 0 HZ1 LYS A 30 68.668 28.945 25.788 1.00 38.77 H new ATOM 0 HZ2 LYS A 30 67.570 27.668 26.003 1.00 38.77 H new ATOM 0 HZ3 LYS A 30 69.178 27.501 26.521 1.00 38.77 H new ATOM 479 N LYS A 31 66.699 24.475 21.284 1.00 30.12 N ATOM 480 CA LYS A 31 66.107 24.671 19.968 1.00 30.63 C ATOM 481 C LYS A 31 67.188 25.081 18.974 1.00 30.21 C ATOM 482 O LYS A 31 68.013 25.950 19.266 1.00 29.89 O ATOM 483 CB LYS A 31 65.001 25.729 20.023 1.00 30.91 C ATOM 484 CG LYS A 31 64.143 25.786 18.767 1.00 32.81 C ATOM 485 CD LYS A 31 63.415 24.471 18.527 0.01 32.61 C ATOM 486 CE LYS A 31 62.462 24.565 17.346 0.01 32.87 C ATOM 487 NZ LYS A 31 61.736 23.285 17.114 0.01 32.94 N ATOM 0 H LYS A 31 66.721 25.311 21.868 1.00 30.12 H new ATOM 0 HA LYS A 31 65.660 23.732 19.641 1.00 30.63 H new ATOM 0 HB2 LYS A 31 64.360 25.527 20.881 1.00 30.91 H new ATOM 0 HB3 LYS A 31 65.454 26.707 20.187 1.00 30.91 H new ATOM 0 HG2 LYS A 31 63.417 26.594 18.858 1.00 32.81 H new ATOM 0 HG3 LYS A 31 64.771 26.017 17.907 1.00 32.81 H new ATOM 0 HD2 LYS A 31 64.142 23.680 18.346 0.01 32.61 H new ATOM 0 HD3 LYS A 31 62.859 24.194 19.423 0.01 32.61 H new ATOM 0 HE2 LYS A 31 61.742 25.364 17.524 0.01 32.87 H new ATOM 0 HE3 LYS A 31 63.021 24.833 16.449 0.01 32.87 H new ATOM 0 HZ1 LYS A 31 61.097 23.391 16.301 0.01 32.94 H new ATOM 0 HZ2 LYS A 31 62.421 22.527 16.919 0.01 32.94 H new ATOM 0 HZ3 LYS A 31 61.182 23.042 17.960 0.01 32.94 H new ATOM 501 N LEU A 32 67.179 24.457 17.800 1.00 30.17 N ATOM 502 CA LEU A 32 68.174 24.747 16.774 1.00 30.14 C ATOM 503 C LEU A 32 67.637 25.743 15.751 1.00 30.24 C ATOM 504 O LEU A 32 66.511 26.232 15.876 1.00 30.14 O ATOM 505 CB LEU A 32 68.606 23.451 16.079 1.00 30.00 C ATOM 506 CG LEU A 32 69.239 22.402 16.997 1.00 31.11 C ATOM 507 CD1 LEU A 32 69.544 21.129 16.223 1.00 33.13 C ATOM 508 CD2 LEU A 32 70.503 22.951 17.645 1.00 32.25 C ATOM 0 H LEU A 32 66.495 23.748 17.536 1.00 30.17 H new ATOM 0 HA LEU A 32 69.040 25.198 17.258 1.00 30.14 H new ATOM 0 HB2 LEU A 32 67.735 23.009 15.594 1.00 30.00 H new ATOM 0 HB3 LEU A 32 69.318 23.699 15.291 1.00 30.00 H new ATOM 0 HG LEU A 32 68.526 22.161 17.786 1.00 31.11 H new ATOM 0 HD11 LEU A 32 69.993 20.395 16.892 1.00 33.13 H new ATOM 0 HD12 LEU A 32 68.620 20.725 15.809 1.00 33.13 H new ATOM 0 HD13 LEU A 32 70.237 21.353 15.412 1.00 33.13 H new ATOM 0 HD21 LEU A 32 70.939 22.191 18.294 1.00 32.25 H new ATOM 0 HD22 LEU A 32 71.221 23.222 16.871 1.00 32.25 H new ATOM 0 HD23 LEU A 32 70.256 23.833 18.235 1.00 32.25 H new ATOM 520 N GLN A 33 68.449 26.042 14.736 1.00 30.41 N ATOM 521 CA GLN A 33 68.051 26.977 13.687 1.00 31.42 C ATOM 522 C GLN A 33 67.201 26.282 12.618 1.00 30.40 C ATOM 523 O GLN A 33 66.807 26.905 11.631 1.00 30.64 O ATOM 524 CB GLN A 33 69.283 27.621 13.040 1.00 32.26 C ATOM 525 CG GLN A 33 70.019 28.600 13.948 1.00 36.24 C ATOM 526 CD GLN A 33 70.767 27.912 15.076 1.00 40.54 C ATOM 527 OE1 GLN A 33 70.234 27.734 16.172 1.00 41.78 O ATOM 528 NE2 GLN A 33 72.010 27.520 14.814 1.00 42.18 N ATOM 0 H GLN A 33 69.384 25.650 14.620 1.00 30.41 H new ATOM 0 HA GLN A 33 67.448 27.757 14.152 1.00 31.42 H new ATOM 0 HB2 GLN A 33 69.973 26.835 12.735 1.00 32.26 H new ATOM 0 HB3 GLN A 33 68.974 28.143 12.134 1.00 32.26 H new ATOM 0 HG2 GLN A 33 70.724 29.180 13.353 1.00 36.24 H new ATOM 0 HG3 GLN A 33 69.303 29.305 14.371 1.00 36.24 H new ATOM 0 HE21 GLN A 33 72.414 27.687 13.892 1.00 42.18 H new ATOM 0 HE22 GLN A 33 72.560 27.052 15.535 1.00 42.18 H new ATOM 537 N GLU A 34 66.916 24.992 12.824 1.00 30.02 N ATOM 538 CA GLU A 34 66.107 24.224 11.893 1.00 30.43 C ATOM 539 C GLU A 34 64.724 24.006 12.489 1.00 30.10 C ATOM 540 O GLU A 34 64.584 23.358 13.528 1.00 30.59 O ATOM 541 CB GLU A 34 66.764 22.875 11.578 1.00 30.61 C ATOM 542 CG GLU A 34 68.199 22.981 11.074 1.00 33.14 C ATOM 543 CD GLU A 34 69.195 23.274 12.184 1.00 37.04 C ATOM 544 OE1 GLU A 34 69.387 22.401 13.057 1.00 38.11 O ATOM 545 OE2 GLU A 34 69.783 24.375 12.180 1.00 37.93 O ATOM 0 H GLU A 34 67.239 24.462 13.634 1.00 30.02 H new ATOM 0 HA GLU A 34 66.021 24.782 10.960 1.00 30.43 H new ATOM 0 HB2 GLU A 34 66.751 22.259 12.477 1.00 30.61 H new ATOM 0 HB3 GLU A 34 66.165 22.358 10.828 1.00 30.61 H new ATOM 0 HG2 GLU A 34 68.476 22.049 10.581 1.00 33.14 H new ATOM 0 HG3 GLU A 34 68.258 23.768 10.323 1.00 33.14 H new ATOM 552 N GLU A 35 63.707 24.559 11.834 1.00 30.07 N ATOM 553 CA GLU A 35 62.335 24.436 12.312 0.50 29.78 C ATOM 554 C GLU A 35 61.930 22.970 12.412 1.00 30.09 C ATOM 555 O GLU A 35 61.905 22.252 11.410 1.00 30.43 O ATOM 556 CB GLU A 35 61.370 25.192 11.392 0.50 29.62 C ATOM 557 CG GLU A 35 61.683 26.677 11.259 0.50 29.33 C ATOM 558 CD GLU A 35 61.744 27.387 12.600 0.50 28.70 C ATOM 559 OE1 GLU A 35 60.683 27.833 13.085 0.50 27.25 O ATOM 560 OE2 GLU A 35 62.854 27.495 13.165 0.50 28.73 O ATOM 0 H GLU A 35 63.808 25.096 10.972 1.00 30.07 H new ATOM 0 HA GLU A 35 62.282 24.879 13.307 0.50 29.78 H new ATOM 0 HB2 GLU A 35 61.393 24.735 10.403 0.50 29.62 H new ATOM 0 HB3 GLU A 35 60.355 25.077 11.772 0.50 29.62 H new ATOM 0 HG2 GLU A 35 62.637 26.798 10.745 0.50 29.33 H new ATOM 0 HG3 GLU A 35 60.923 27.150 10.637 0.50 29.33 H new ATOM 567 N GLY A 36 61.616 22.535 13.631 1.00 30.13 N ATOM 568 CA GLY A 36 61.219 21.157 13.851 1.00 29.64 C ATOM 569 C GLY A 36 62.359 20.267 14.305 1.00 29.87 C ATOM 570 O GLY A 36 62.204 19.048 14.364 1.00 30.05 O ATOM 0 H GLY A 36 61.630 23.115 14.470 1.00 30.13 H new ATOM 0 HA2 GLY A 36 60.427 21.130 14.599 1.00 29.64 H new ATOM 0 HA3 GLY A 36 60.800 20.756 12.928 1.00 29.64 H new ATOM 574 N TRP A 37 63.507 20.866 14.625 1.00 29.74 N ATOM 575 CA TRP A 37 64.660 20.102 15.075 1.00 29.59 C ATOM 576 C TRP A 37 65.250 20.698 16.345 1.00 29.70 C ATOM 577 O TRP A 37 65.500 21.902 16.430 1.00 30.29 O ATOM 578 CB TRP A 37 65.720 20.032 13.975 1.00 29.29 C ATOM 579 CG TRP A 37 65.257 19.280 12.763 1.00 29.26 C ATOM 580 CD1 TRP A 37 65.116 19.770 11.497 1.00 28.67 C ATOM 581 CD2 TRP A 37 64.859 17.906 12.708 1.00 29.10 C ATOM 582 NE1 TRP A 37 64.661 18.784 10.658 1.00 29.99 N ATOM 583 CE2 TRP A 37 64.495 17.629 11.378 1.00 29.48 C ATOM 584 CE3 TRP A 37 64.778 16.881 13.656 1.00 29.56 C ATOM 585 CZ2 TRP A 37 64.057 16.371 10.972 1.00 27.72 C ATOM 586 CZ3 TRP A 37 64.343 15.634 13.252 1.00 28.75 C ATOM 587 CH2 TRP A 37 63.987 15.388 11.920 1.00 26.29 C ATOM 0 H TRP A 37 63.658 21.874 14.580 1.00 29.74 H new ATOM 0 HA TRP A 37 64.325 19.090 15.301 1.00 29.59 H new ATOM 0 HB2 TRP A 37 66.000 21.044 13.683 1.00 29.29 H new ATOM 0 HB3 TRP A 37 66.616 19.555 14.371 1.00 29.29 H new ATOM 0 HD1 TRP A 37 65.331 20.786 11.199 1.00 28.67 H new ATOM 0 HE1 TRP A 37 64.476 18.893 9.661 1.00 29.99 H new ATOM 0 HE3 TRP A 37 65.051 17.061 14.685 1.00 29.56 H new ATOM 0 HZ2 TRP A 37 63.782 16.179 9.945 1.00 27.72 H new ATOM 0 HZ3 TRP A 37 64.276 14.835 13.976 1.00 28.75 H new ATOM 0 HH2 TRP A 37 63.650 14.402 11.636 1.00 26.29 H new ATOM 598 N LEU A 38 65.468 19.830 17.327 1.00 29.48 N ATOM 599 CA LEU A 38 66.032 20.229 18.609 1.00 29.37 C ATOM 600 C LEU A 38 67.328 19.468 18.858 1.00 29.69 C ATOM 601 O LEU A 38 67.642 18.522 18.140 1.00 30.33 O ATOM 602 CB LEU A 38 65.036 19.962 19.746 1.00 28.93 C ATOM 603 CG LEU A 38 63.781 20.841 19.742 1.00 28.10 C ATOM 604 CD1 LEU A 38 62.825 20.417 18.637 1.00 26.91 C ATOM 605 CD2 LEU A 38 63.089 20.785 21.097 1.00 27.03 C ATOM 0 H LEU A 38 65.259 18.834 17.256 1.00 29.48 H new ATOM 0 HA LEU A 38 66.241 21.298 18.582 1.00 29.37 H new ATOM 0 HB2 LEU A 38 64.727 18.918 19.698 1.00 28.93 H new ATOM 0 HB3 LEU A 38 65.551 20.099 20.697 1.00 28.93 H new ATOM 0 HG LEU A 38 64.086 21.870 19.550 1.00 28.10 H new ATOM 0 HD11 LEU A 38 61.942 21.056 18.655 1.00 26.91 H new ATOM 0 HD12 LEU A 38 63.321 20.510 17.671 1.00 26.91 H new ATOM 0 HD13 LEU A 38 62.526 19.380 18.792 1.00 26.91 H new ATOM 0 HD21 LEU A 38 62.199 21.415 21.078 1.00 27.03 H new ATOM 0 HD22 LEU A 38 62.801 19.757 21.316 1.00 27.03 H new ATOM 0 HD23 LEU A 38 63.770 21.143 21.869 1.00 27.03 H new ATOM 617 N GLU A 39 68.077 19.884 19.869 1.00 29.85 N ATOM 618 CA GLU A 39 69.338 19.229 20.205 1.00 30.01 C ATOM 619 C GLU A 39 69.377 18.859 21.685 1.00 29.88 C ATOM 620 O GLU A 39 69.219 19.719 22.551 1.00 29.98 O ATOM 621 CB GLU A 39 70.525 20.132 19.855 1.00 30.17 C ATOM 622 CG GLU A 39 71.878 19.472 20.078 1.00 32.87 C ATOM 623 CD GLU A 39 73.036 20.356 19.657 1.00 37.88 C ATOM 624 OE1 GLU A 39 73.514 21.149 20.496 1.00 38.28 O ATOM 625 OE2 GLU A 39 73.467 20.255 18.490 1.00 38.59 O ATOM 0 H GLU A 39 67.836 20.671 20.472 1.00 29.85 H new ATOM 0 HA GLU A 39 69.411 18.314 19.617 1.00 30.01 H new ATOM 0 HB2 GLU A 39 70.445 20.435 18.811 1.00 30.17 H new ATOM 0 HB3 GLU A 39 70.470 21.040 20.455 1.00 30.17 H new ATOM 0 HG2 GLU A 39 71.985 19.218 21.133 1.00 32.87 H new ATOM 0 HG3 GLU A 39 71.918 18.537 19.519 1.00 32.87 H new ATOM 632 N GLY A 40 69.600 17.577 21.963 1.00 29.49 N ATOM 633 CA GLY A 40 69.647 17.112 23.340 1.00 29.65 C ATOM 634 C GLY A 40 70.542 15.903 23.522 1.00 29.85 C ATOM 635 O GLY A 40 70.846 15.194 22.563 1.00 29.46 O ATOM 0 H GLY A 40 69.749 16.852 21.261 1.00 29.49 H new ATOM 0 HA2 GLY A 40 70.002 17.920 23.980 1.00 29.65 H new ATOM 0 HA3 GLY A 40 68.638 16.864 23.669 1.00 29.65 H new ATOM 639 N GLU A 41 70.961 15.671 24.764 1.00 29.93 N ATOM 640 CA GLU A 41 71.830 14.543 25.086 1.00 29.92 C ATOM 641 C GLU A 41 71.019 13.362 25.610 1.00 29.86 C ATOM 642 O GLU A 41 70.580 13.353 26.761 1.00 30.03 O ATOM 643 CB GLU A 41 72.893 14.952 26.113 1.00 29.67 C ATOM 644 CG GLU A 41 73.793 16.093 25.653 1.00 34.14 C ATOM 645 CD GLU A 41 73.141 17.457 25.800 1.00 36.56 C ATOM 646 OE1 GLU A 41 73.073 17.961 26.941 1.00 34.81 O ATOM 647 OE2 GLU A 41 72.700 18.022 24.777 1.00 37.88 O ATOM 0 H GLU A 41 70.712 16.251 25.565 1.00 29.93 H new ATOM 0 HA GLU A 41 72.332 14.236 24.169 1.00 29.92 H new ATOM 0 HB2 GLU A 41 72.396 15.245 27.038 1.00 29.67 H new ATOM 0 HB3 GLU A 41 73.512 14.085 26.345 1.00 29.67 H new ATOM 0 HG2 GLU A 41 74.718 16.074 26.229 1.00 34.14 H new ATOM 0 HG3 GLU A 41 74.065 15.936 24.609 1.00 34.14 H new ATOM 654 N LEU A 42 70.820 12.371 24.745 1.00 29.45 N ATOM 655 CA LEU A 42 70.069 11.173 25.097 1.00 29.26 C ATOM 656 C LEU A 42 70.904 9.932 24.810 1.00 30.02 C ATOM 657 O LEU A 42 71.574 9.851 23.778 1.00 30.38 O ATOM 658 CB LEU A 42 68.746 11.115 24.326 1.00 29.05 C ATOM 659 CG LEU A 42 67.844 9.923 24.668 1.00 26.88 C ATOM 660 CD1 LEU A 42 67.381 9.995 26.116 1.00 23.36 C ATOM 661 CD2 LEU A 42 66.648 9.871 23.729 1.00 25.54 C ATOM 0 H LEU A 42 71.172 12.377 23.788 1.00 29.45 H new ATOM 0 HA LEU A 42 69.840 11.208 26.162 1.00 29.26 H new ATOM 0 HB2 LEU A 42 68.193 12.035 24.515 1.00 29.05 H new ATOM 0 HB3 LEU A 42 68.966 11.089 23.259 1.00 29.05 H new ATOM 0 HG LEU A 42 68.424 9.009 24.539 1.00 26.88 H new ATOM 0 HD11 LEU A 42 66.742 9.140 26.337 1.00 23.36 H new ATOM 0 HD12 LEU A 42 68.248 9.981 26.776 1.00 23.36 H new ATOM 0 HD13 LEU A 42 66.820 10.916 26.273 1.00 23.36 H new ATOM 0 HD21 LEU A 42 66.020 9.019 23.987 1.00 25.54 H new ATOM 0 HD22 LEU A 42 66.070 10.790 23.825 1.00 25.54 H new ATOM 0 HD23 LEU A 42 66.996 9.767 22.701 1.00 25.54 H new ATOM 673 N ASN A 43 70.858 8.970 25.729 1.00 30.44 N ATOM 674 CA ASN A 43 71.623 7.732 25.594 1.00 30.67 C ATOM 675 C ASN A 43 73.133 8.004 25.576 1.00 30.06 C ATOM 676 O ASN A 43 73.912 7.174 25.100 1.00 29.74 O ATOM 677 CB ASN A 43 71.204 6.971 24.328 1.00 31.77 C ATOM 678 CG ASN A 43 69.821 6.351 24.448 1.00 35.53 C ATOM 679 OD1 ASN A 43 68.955 6.862 25.158 1.00 36.31 O ATOM 680 ND2 ASN A 43 69.607 5.240 23.750 1.00 40.09 N ATOM 0 H ASN A 43 70.296 9.024 26.579 1.00 30.44 H new ATOM 0 HA ASN A 43 71.403 7.114 26.464 1.00 30.67 H new ATOM 0 HB2 ASN A 43 71.220 7.652 23.477 1.00 31.77 H new ATOM 0 HB3 ASN A 43 71.933 6.187 24.122 1.00 31.77 H new ATOM 0 HD21 ASN A 43 68.698 4.779 23.791 1.00 40.09 H new ATOM 0 HD22 ASN A 43 70.352 4.849 23.173 1.00 40.09 H new ATOM 687 N GLY A 44 73.545 9.165 26.104 1.00 30.57 N ATOM 688 CA GLY A 44 74.955 9.508 26.144 1.00 30.96 C ATOM 689 C GLY A 44 75.460 10.148 24.867 1.00 31.10 C ATOM 690 O GLY A 44 76.666 10.330 24.698 1.00 31.29 O ATOM 0 H GLY A 44 72.923 9.868 26.502 1.00 30.57 H new ATOM 0 HA2 GLY A 44 75.131 10.189 26.976 1.00 30.96 H new ATOM 0 HA3 GLY A 44 75.534 8.606 26.342 1.00 30.96 H new ATOM 694 N ARG A 45 74.543 10.491 23.967 1.00 31.28 N ATOM 695 CA ARG A 45 74.904 11.116 22.709 1.00 31.67 C ATOM 696 C ARG A 45 74.027 12.333 22.450 1.00 31.03 C ATOM 697 O ARG A 45 72.828 12.315 22.731 1.00 30.83 O ATOM 698 CB ARG A 45 74.772 10.109 21.558 1.00 32.25 C ATOM 699 CG ARG A 45 75.018 10.704 20.179 1.00 34.74 C ATOM 700 CD ARG A 45 76.434 11.243 20.040 1.00 39.98 C ATOM 701 NE ARG A 45 76.610 11.998 18.798 1.00 41.27 N ATOM 702 CZ ARG A 45 77.396 13.072 18.677 1.00 43.21 C ATOM 703 NH1 ARG A 45 78.100 13.522 19.713 1.00 42.18 N ATOM 704 NH2 ARG A 45 77.480 13.698 17.507 1.00 44.74 N ATOM 0 H ARG A 45 73.541 10.344 24.091 1.00 31.28 H new ATOM 0 HA ARG A 45 75.942 11.444 22.769 1.00 31.67 H new ATOM 0 HB2 ARG A 45 75.477 9.293 21.721 1.00 32.25 H new ATOM 0 HB3 ARG A 45 73.772 9.676 21.582 1.00 32.25 H new ATOM 0 HG2 ARG A 45 74.843 9.943 19.418 1.00 34.74 H new ATOM 0 HG3 ARG A 45 74.304 11.507 19.997 1.00 34.74 H new ATOM 0 HD2 ARG A 45 76.664 11.885 20.891 1.00 39.98 H new ATOM 0 HD3 ARG A 45 77.142 10.415 20.065 1.00 39.98 H new ATOM 0 HE ARG A 45 76.100 11.684 17.972 1.00 41.27 H new ATOM 0 HH11 ARG A 45 78.044 13.046 20.613 1.00 42.18 H new ATOM 0 HH12 ARG A 45 78.696 14.343 19.607 1.00 42.18 H new ATOM 0 HH21 ARG A 45 76.946 13.358 16.707 1.00 44.74 H new ATOM 0 HH22 ARG A 45 78.078 14.518 17.409 1.00 44.74 H new ATOM 718 N ARG A 46 74.629 13.383 21.902 1.00 30.68 N ATOM 719 CA ARG A 46 73.894 14.598 21.599 1.00 30.55 C ATOM 720 C ARG A 46 73.384 14.513 20.169 1.00 30.11 C ATOM 721 O ARG A 46 74.175 14.486 19.222 1.00 30.10 O ATOM 722 CB ARG A 46 74.776 15.837 21.781 1.00 30.46 C ATOM 723 CG ARG A 46 74.001 17.145 21.724 1.00 32.25 C ATOM 724 CD ARG A 46 74.928 18.350 21.783 0.01 32.39 C ATOM 725 NE ARG A 46 75.711 18.504 20.555 0.01 32.82 N ATOM 726 CZ ARG A 46 76.618 19.464 20.363 0.01 33.01 C ATOM 727 NH1 ARG A 46 76.865 20.362 21.314 0.01 33.12 N ATOM 728 NH2 ARG A 46 77.284 19.526 19.214 0.01 33.06 N ATOM 0 H ARG A 46 75.620 13.414 21.661 1.00 30.68 H new ATOM 0 HA ARG A 46 73.055 14.692 22.288 1.00 30.55 H new ATOM 0 HB2 ARG A 46 75.290 15.770 22.740 1.00 30.46 H new ATOM 0 HB3 ARG A 46 75.544 15.844 21.007 1.00 30.46 H new ATOM 0 HG2 ARG A 46 73.415 17.181 20.806 1.00 32.25 H new ATOM 0 HG3 ARG A 46 73.296 17.187 22.554 1.00 32.25 H new ATOM 0 HD2 ARG A 46 74.339 19.252 21.952 0.01 32.39 H new ATOM 0 HD3 ARG A 46 75.603 18.246 22.632 0.01 32.39 H new ATOM 0 HE ARG A 46 75.553 17.836 19.800 0.01 32.82 H new ATOM 0 HH11 ARG A 46 76.359 20.320 22.199 0.01 33.12 H new ATOM 0 HH12 ARG A 46 77.560 21.092 21.158 0.01 33.12 H new ATOM 0 HH21 ARG A 46 77.101 18.841 18.481 0.01 33.06 H new ATOM 0 HH22 ARG A 46 77.978 20.259 19.065 0.01 33.06 H new ATOM 742 N GLY A 47 72.066 14.465 20.013 1.00 29.77 N ATOM 743 CA GLY A 47 71.492 14.345 18.690 1.00 29.07 C ATOM 744 C GLY A 47 70.354 15.307 18.437 1.00 29.23 C ATOM 745 O GLY A 47 69.982 16.094 19.311 1.00 29.34 O ATOM 0 H GLY A 47 71.390 14.507 20.775 1.00 29.77 H new ATOM 0 HA2 GLY A 47 72.272 14.514 17.948 1.00 29.07 H new ATOM 0 HA3 GLY A 47 71.133 13.325 18.549 1.00 29.07 H new ATOM 749 N MET A 48 69.800 15.231 17.233 1.00 29.43 N ATOM 750 CA MET A 48 68.696 16.088 16.836 1.00 29.55 C ATOM 751 C MET A 48 67.423 15.269 16.683 1.00 29.74 C ATOM 752 O MET A 48 67.434 14.192 16.083 1.00 29.84 O ATOM 753 CB MET A 48 69.017 16.809 15.524 1.00 29.04 C ATOM 754 CG MET A 48 70.169 17.794 15.630 1.00 30.75 C ATOM 755 SD MET A 48 70.667 18.461 14.029 1.00 35.17 S ATOM 756 CE MET A 48 69.110 19.106 13.423 1.00 30.25 C ATOM 0 H MET A 48 70.103 14.577 16.511 1.00 29.43 H new ATOM 0 HA MET A 48 68.545 16.836 17.614 1.00 29.55 H new ATOM 0 HB2 MET A 48 69.255 16.067 14.762 1.00 29.04 H new ATOM 0 HB3 MET A 48 68.127 17.340 15.185 1.00 29.04 H new ATOM 0 HG2 MET A 48 69.880 18.615 16.287 1.00 30.75 H new ATOM 0 HG3 MET A 48 71.022 17.300 16.094 1.00 30.75 H new ATOM 0 HE1 MET A 48 69.301 19.904 12.706 1.00 30.25 H new ATOM 0 HE2 MET A 48 68.550 18.307 12.936 1.00 30.25 H new ATOM 0 HE3 MET A 48 68.530 19.499 14.258 1.00 30.25 H new ATOM 766 N PHE A 49 66.327 15.786 17.222 1.00 29.54 N ATOM 767 CA PHE A 49 65.045 15.091 17.165 1.00 29.48 C ATOM 768 C PHE A 49 63.918 16.051 16.786 1.00 29.94 C ATOM 769 O PHE A 49 64.049 17.267 16.947 1.00 30.17 O ATOM 770 CB PHE A 49 64.749 14.433 18.517 1.00 28.94 C ATOM 771 CG PHE A 49 65.264 15.224 19.688 1.00 27.57 C ATOM 772 CD1 PHE A 49 64.474 16.182 20.297 1.00 27.12 C ATOM 773 CD2 PHE A 49 66.551 15.019 20.162 1.00 25.70 C ATOM 774 CE1 PHE A 49 64.957 16.920 21.361 1.00 27.89 C ATOM 775 CE2 PHE A 49 67.036 15.752 21.225 1.00 25.62 C ATOM 776 CZ PHE A 49 66.239 16.705 21.825 1.00 26.82 C ATOM 0 H PHE A 49 66.298 16.684 17.704 1.00 29.54 H new ATOM 0 HA PHE A 49 65.105 14.320 16.396 1.00 29.48 H new ATOM 0 HB2 PHE A 49 63.672 14.302 18.621 1.00 28.94 H new ATOM 0 HB3 PHE A 49 65.195 13.438 18.535 1.00 28.94 H new ATOM 0 HD1 PHE A 49 63.470 16.355 19.938 1.00 27.12 H new ATOM 0 HD2 PHE A 49 67.181 14.277 19.694 1.00 25.70 H new ATOM 0 HE1 PHE A 49 64.331 17.665 21.830 1.00 27.89 H new ATOM 0 HE2 PHE A 49 68.039 15.580 21.587 1.00 25.62 H new ATOM 0 HZ PHE A 49 66.617 17.282 22.656 1.00 26.82 H new ATOM 786 N PRO A 50 62.791 15.516 16.279 1.00 30.08 N ATOM 787 CA PRO A 50 61.640 16.331 15.870 1.00 29.95 C ATOM 788 C PRO A 50 61.042 17.134 17.025 1.00 29.91 C ATOM 789 O PRO A 50 61.076 16.705 18.181 1.00 30.19 O ATOM 790 CB PRO A 50 60.627 15.304 15.349 1.00 29.61 C ATOM 791 CG PRO A 50 61.426 14.079 15.063 1.00 29.35 C ATOM 792 CD PRO A 50 62.548 14.080 16.059 1.00 30.28 C ATOM 0 HA PRO A 50 61.926 17.077 15.129 1.00 29.95 H new ATOM 0 HB2 PRO A 50 59.852 15.105 16.089 1.00 29.61 H new ATOM 0 HB3 PRO A 50 60.125 15.666 14.451 1.00 29.61 H new ATOM 0 HG2 PRO A 50 60.815 13.182 15.163 1.00 29.35 H new ATOM 0 HG3 PRO A 50 61.809 14.092 14.043 1.00 29.35 H new ATOM 0 HD2 PRO A 50 62.269 13.571 16.982 1.00 30.28 H new ATOM 0 HD3 PRO A 50 63.433 13.575 15.671 1.00 30.28 H new ATOM 800 N ASP A 51 60.494 18.303 16.695 1.00 30.10 N ATOM 801 CA ASP A 51 59.887 19.189 17.689 1.00 30.42 C ATOM 802 C ASP A 51 58.615 18.582 18.291 1.00 30.47 C ATOM 803 O ASP A 51 58.372 18.711 19.492 1.00 31.18 O ATOM 804 CB ASP A 51 59.569 20.553 17.066 1.00 29.76 C ATOM 805 CG ASP A 51 58.401 20.500 16.093 1.00 30.04 C ATOM 806 OD1 ASP A 51 58.550 19.890 15.013 1.00 29.54 O ATOM 807 OD2 ASP A 51 57.336 21.067 16.416 1.00 32.21 O ATOM 0 H ASP A 51 60.458 18.661 15.740 1.00 30.10 H new ATOM 0 HA ASP A 51 60.610 19.319 18.494 1.00 30.42 H new ATOM 0 HB2 ASP A 51 59.343 21.266 17.859 1.00 29.76 H new ATOM 0 HB3 ASP A 51 60.452 20.924 16.546 1.00 29.76 H new ATOM 812 N ASN A 52 57.813 17.918 17.454 1.00 30.26 N ATOM 813 CA ASN A 52 56.564 17.304 17.910 1.00 30.67 C ATOM 814 C ASN A 52 56.775 15.877 18.440 1.00 30.83 C ATOM 815 O ASN A 52 55.814 15.125 18.603 1.00 31.21 O ATOM 816 CB ASN A 52 55.530 17.303 16.778 1.00 30.81 C ATOM 817 CG ASN A 52 55.991 16.526 15.557 1.00 32.54 C ATOM 818 OD1 ASN A 52 56.675 17.064 14.687 1.00 34.54 O ATOM 819 ND2 ASN A 52 55.612 15.254 15.483 1.00 33.43 N ATOM 0 H ASN A 52 58.006 17.792 16.460 1.00 30.26 H new ATOM 0 HA ASN A 52 56.192 17.905 18.740 1.00 30.67 H new ATOM 0 HB2 ASN A 52 54.598 16.874 17.145 1.00 30.81 H new ATOM 0 HB3 ASN A 52 55.315 18.332 16.488 1.00 30.81 H new ATOM 0 HD21 ASN A 52 55.888 14.685 14.683 1.00 33.43 H new ATOM 0 HD22 ASN A 52 55.045 14.847 16.227 1.00 33.43 H new ATOM 826 N PHE A 53 58.031 15.513 18.713 1.00 30.61 N ATOM 827 CA PHE A 53 58.356 14.188 19.235 1.00 30.73 C ATOM 828 C PHE A 53 58.732 14.270 20.713 1.00 30.75 C ATOM 829 O PHE A 53 58.604 13.291 21.445 1.00 30.72 O ATOM 830 CB PHE A 53 59.499 13.560 18.434 1.00 30.73 C ATOM 831 CG PHE A 53 59.041 12.778 17.234 1.00 31.62 C ATOM 832 CD1 PHE A 53 58.195 13.349 16.295 1.00 33.29 C ATOM 833 CD2 PHE A 53 59.460 11.472 17.044 1.00 30.86 C ATOM 834 CE1 PHE A 53 57.777 12.630 15.191 1.00 34.04 C ATOM 835 CE2 PHE A 53 59.045 10.749 15.942 1.00 31.53 C ATOM 836 CZ PHE A 53 58.203 11.328 15.015 1.00 31.02 C ATOM 0 H PHE A 53 58.839 16.121 18.580 1.00 30.61 H new ATOM 0 HA PHE A 53 57.473 13.557 19.135 1.00 30.73 H new ATOM 0 HB2 PHE A 53 60.176 14.349 18.105 1.00 30.73 H new ATOM 0 HB3 PHE A 53 60.070 12.902 19.089 1.00 30.73 H new ATOM 0 HD1 PHE A 53 57.859 14.367 16.428 1.00 33.29 H new ATOM 0 HD2 PHE A 53 60.119 11.013 17.766 1.00 30.86 H new ATOM 0 HE1 PHE A 53 57.118 13.086 14.467 1.00 34.04 H new ATOM 0 HE2 PHE A 53 59.380 9.731 15.806 1.00 31.53 H new ATOM 0 HZ PHE A 53 57.878 10.764 14.153 1.00 31.02 H new ATOM 846 N VAL A 54 59.204 15.444 21.136 1.00 30.38 N ATOM 847 CA VAL A 54 59.588 15.670 22.522 1.00 29.81 C ATOM 848 C VAL A 54 58.833 16.865 23.099 1.00 29.88 C ATOM 849 O VAL A 54 58.562 17.840 22.394 1.00 30.21 O ATOM 850 CB VAL A 54 61.106 15.915 22.660 1.00 30.12 C ATOM 851 CG1 VAL A 54 61.886 14.673 22.257 1.00 31.54 C ATOM 852 CG2 VAL A 54 61.540 17.115 21.828 1.00 29.97 C ATOM 0 H VAL A 54 59.328 16.255 20.530 1.00 30.38 H new ATOM 0 HA VAL A 54 59.330 14.769 23.078 1.00 29.81 H new ATOM 0 HB VAL A 54 61.322 16.133 23.706 1.00 30.12 H new ATOM 0 HG11 VAL A 54 62.954 14.865 22.361 1.00 31.54 H new ATOM 0 HG12 VAL A 54 61.602 13.840 22.901 1.00 31.54 H new ATOM 0 HG13 VAL A 54 61.661 14.423 21.220 1.00 31.54 H new ATOM 0 HG21 VAL A 54 62.613 17.267 21.942 1.00 29.97 H new ATOM 0 HG22 VAL A 54 61.308 16.933 20.779 1.00 29.97 H new ATOM 0 HG23 VAL A 54 61.009 18.004 22.168 1.00 29.97 H new ATOM 862 N LYS A 55 58.494 16.782 24.381 1.00 29.74 N ATOM 863 CA LYS A 55 57.773 17.855 25.058 1.00 29.89 C ATOM 864 C LYS A 55 58.573 18.349 26.255 1.00 30.09 C ATOM 865 O LYS A 55 59.002 17.553 27.091 1.00 30.59 O ATOM 866 CB LYS A 55 56.394 17.371 25.512 1.00 29.70 C ATOM 867 CG LYS A 55 55.528 18.473 26.105 1.00 27.87 C ATOM 868 CD LYS A 55 54.210 17.928 26.633 1.00 28.45 C ATOM 869 CE LYS A 55 53.322 19.037 27.178 1.00 29.83 C ATOM 870 NZ LYS A 55 53.940 19.731 28.345 1.00 29.81 N ATOM 0 H LYS A 55 58.708 15.980 24.974 1.00 29.74 H new ATOM 0 HA LYS A 55 57.639 18.679 24.357 1.00 29.89 H new ATOM 0 HB2 LYS A 55 55.874 16.930 24.661 1.00 29.70 H new ATOM 0 HB3 LYS A 55 56.521 16.581 26.253 1.00 29.70 H new ATOM 0 HG2 LYS A 55 56.068 18.966 26.913 1.00 27.87 H new ATOM 0 HG3 LYS A 55 55.331 19.230 25.346 1.00 27.87 H new ATOM 0 HD2 LYS A 55 53.687 17.402 25.834 1.00 28.45 H new ATOM 0 HD3 LYS A 55 54.406 17.199 27.419 1.00 28.45 H new ATOM 0 HE2 LYS A 55 53.124 19.763 26.389 1.00 29.83 H new ATOM 0 HE3 LYS A 55 52.360 18.618 27.474 1.00 29.83 H new ATOM 0 HZ1 LYS A 55 53.238 20.358 28.788 1.00 29.81 H new ATOM 0 HZ2 LYS A 55 54.260 19.025 29.039 1.00 29.81 H new ATOM 0 HZ3 LYS A 55 54.753 20.294 28.023 1.00 29.81 H new ATOM 884 N GLU A 56 58.775 19.664 26.338 1.00 29.95 N ATOM 885 CA GLU A 56 59.534 20.245 27.441 1.00 29.73 C ATOM 886 C GLU A 56 58.977 19.784 28.783 1.00 29.58 C ATOM 887 O GLU A 56 57.760 19.759 28.983 1.00 30.02 O ATOM 888 CB GLU A 56 59.521 21.774 27.365 1.00 29.71 C ATOM 889 CG GLU A 56 60.582 22.430 28.237 1.00 28.77 C ATOM 890 CD GLU A 56 60.595 23.941 28.112 1.00 31.39 C ATOM 891 OE1 GLU A 56 60.903 24.444 27.011 1.00 31.09 O ATOM 892 OE2 GLU A 56 60.302 24.622 29.116 1.00 32.19 O ATOM 0 H GLU A 56 58.426 20.341 25.660 1.00 29.95 H new ATOM 0 HA GLU A 56 60.565 19.901 27.355 1.00 29.73 H new ATOM 0 HB2 GLU A 56 59.671 22.081 26.330 1.00 29.71 H new ATOM 0 HB3 GLU A 56 58.538 22.137 27.666 1.00 29.71 H new ATOM 0 HG2 GLU A 56 60.409 22.158 29.278 1.00 28.77 H new ATOM 0 HG3 GLU A 56 61.562 22.039 27.964 1.00 28.77 H new ATOM 899 N ILE A 57 59.872 19.425 29.699 1.00 29.23 N ATOM 900 CA ILE A 57 59.467 18.955 31.016 1.00 29.24 C ATOM 901 C ILE A 57 59.214 20.139 31.949 1.00 29.93 C ATOM 902 O ILE A 57 60.146 20.788 32.430 1.00 30.54 O ATOM 903 CB ILE A 57 60.515 17.982 31.626 1.00 28.57 C ATOM 904 CG1 ILE A 57 59.951 17.269 32.866 1.00 28.31 C ATOM 905 CG2 ILE A 57 61.818 18.701 31.965 1.00 25.77 C ATOM 906 CD1 ILE A 57 59.733 18.171 34.066 1.00 28.60 C ATOM 0 H ILE A 57 60.881 19.451 29.552 1.00 29.23 H new ATOM 0 HA ILE A 57 58.537 18.398 30.900 1.00 29.24 H new ATOM 0 HB ILE A 57 60.738 17.229 30.870 1.00 28.57 H new ATOM 0 HG12 ILE A 57 59.002 16.803 32.601 1.00 28.31 H new ATOM 0 HG13 ILE A 57 60.632 16.467 33.149 1.00 28.31 H new ATOM 0 HG21 ILE A 57 62.526 17.989 32.389 1.00 25.77 H new ATOM 0 HG22 ILE A 57 62.239 19.137 31.059 1.00 25.77 H new ATOM 0 HG23 ILE A 57 61.620 19.491 32.689 1.00 25.77 H new ATOM 0 HD11 ILE A 57 59.334 17.585 34.894 1.00 28.60 H new ATOM 0 HD12 ILE A 57 60.682 18.618 34.362 1.00 28.60 H new ATOM 0 HD13 ILE A 57 59.026 18.959 33.805 1.00 28.60 H new ATOM 918 N LYS A 58 57.936 20.429 32.176 1.00 30.45 N ATOM 919 CA LYS A 58 57.541 21.534 33.045 1.00 30.98 C ATOM 920 C LYS A 58 57.596 21.114 34.514 1.00 30.73 C ATOM 921 O LYS A 58 58.558 21.512 35.205 1.00 30.38 O ATOM 922 CB LYS A 58 56.136 22.030 32.681 1.00 31.05 C ATOM 923 CG LYS A 58 56.015 22.537 31.252 1.00 32.79 C ATOM 924 CD LYS A 58 56.867 23.775 31.021 1.00 35.98 C ATOM 925 CE LYS A 58 56.743 24.276 29.590 1.00 37.92 C ATOM 926 NZ LYS A 58 57.477 25.556 29.381 1.00 40.63 N ATOM 927 OXT LYS A 58 56.683 20.384 34.962 1.00 30.38 O ATOM 0 H LYS A 58 57.155 19.914 31.770 1.00 30.45 H new ATOM 0 HA LYS A 58 58.245 22.352 32.897 1.00 30.98 H new ATOM 0 HB2 LYS A 58 55.424 21.218 32.830 1.00 31.05 H new ATOM 0 HB3 LYS A 58 55.855 22.830 33.366 1.00 31.05 H new ATOM 0 HG2 LYS A 58 56.319 21.752 30.560 1.00 32.79 H new ATOM 0 HG3 LYS A 58 54.972 22.767 31.034 1.00 32.79 H new ATOM 0 HD2 LYS A 58 56.562 24.562 31.711 1.00 35.98 H new ATOM 0 HD3 LYS A 58 57.910 23.546 31.239 1.00 35.98 H new ATOM 0 HE2 LYS A 58 57.130 23.520 28.907 1.00 37.92 H new ATOM 0 HE3 LYS A 58 55.690 24.418 29.345 1.00 37.92 H new ATOM 0 HZ1 LYS A 58 57.120 26.025 28.524 1.00 40.63 H new ATOM 0 HZ2 LYS A 58 57.332 26.177 30.202 1.00 40.63 H new ATOM 0 HZ3 LYS A 58 58.492 25.360 29.270 1.00 40.63 H new TER 941 LYS A 58