USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 773 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 16 THR OG1 : rot 88:sc= -3.25! USER MOD Set 1.2: A 19 ASN : amide:sc= -0.183 K(o=-3.4,f=-12!) USER MOD Set 2.1: A 1 GLY N :NH3+ -171:sc= 0.459 (180deg=0) USER MOD Set 2.2: A 3 HIS :FLIP no HE2:sc= -1.06 F(o=-3.7!,f=-0.6) USER MOD Single : A 2 SER OG : rot 51:sc= 0.388 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 51:sc= 0.154 USER MOD Single : A 14 SER OG : rot 180:sc= 0.0032 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.0471 USER MOD Single : A 24 ASN : amide:sc= -3.06! C(o=-3.1!,f=-3.4!) USER MOD Single : A 26 ASN : amide:sc= -4.17! C(o=-4.2!,f=-11!) USER MOD Single : A 28 ASN : amide:sc= -0.456 X(o=-0.46,f=0.027) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= -0.336! (180deg=-0.336!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0.712 (180deg=0.712) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -120:sc= 0.344 (180deg=0.112) USER MOD Single : A 45 ASN : amide:sc= -6.46! C(o=-6.5!,f=-11!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN :FLIP amide:sc= -0.058 F(o=-0.86,f=-0.058) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot -130:sc= -0.327 USER MOD Single : A 67 SER OG : rot -90:sc= -2.32! USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0.00951 (180deg=0.00951) USER MOD Single : A 78 THR OG1 : rot 89:sc= -1.4! USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -0.56 K(o=-0.56,f=-3.6!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 56.774 -19.230 -3.442 1.00 0.00 N ATOM 2 CA GLY A 1 55.498 -18.875 -4.127 1.00 0.00 C ATOM 3 C GLY A 1 55.154 -17.412 -3.841 1.00 0.00 C ATOM 4 O GLY A 1 55.075 -16.596 -4.737 1.00 0.00 O ATOM 0 H1 GLY A 1 57.087 -20.170 -3.757 1.00 0.00 H new ATOM 0 H2 GLY A 1 57.502 -18.526 -3.678 1.00 0.00 H new ATOM 0 H3 GLY A 1 56.624 -19.242 -2.413 1.00 0.00 H new ATOM 0 HA2 GLY A 1 55.593 -19.034 -5.201 1.00 0.00 H new ATOM 0 HA3 GLY A 1 54.694 -19.523 -3.779 1.00 0.00 H new ATOM 10 N SER A 2 54.949 -17.074 -2.597 1.00 0.00 N ATOM 11 CA SER A 2 54.609 -15.664 -2.255 1.00 0.00 C ATOM 12 C SER A 2 55.844 -14.939 -1.713 1.00 0.00 C ATOM 13 O SER A 2 56.283 -15.182 -0.606 1.00 0.00 O ATOM 14 CB SER A 2 53.533 -15.766 -1.175 1.00 0.00 C ATOM 15 OG SER A 2 53.935 -16.718 -0.199 1.00 0.00 O ATOM 0 H SER A 2 55.002 -17.713 -1.804 1.00 0.00 H new ATOM 0 HA SER A 2 54.264 -15.101 -3.122 1.00 0.00 H new ATOM 0 HB2 SER A 2 53.377 -14.793 -0.708 1.00 0.00 H new ATOM 0 HB3 SER A 2 52.583 -16.063 -1.619 1.00 0.00 H new ATOM 0 HG SER A 2 54.843 -16.510 0.106 1.00 0.00 H new ATOM 21 N HIS A 3 56.408 -14.049 -2.484 1.00 0.00 N ATOM 22 CA HIS A 3 57.614 -13.311 -2.013 1.00 0.00 C ATOM 23 C HIS A 3 58.077 -12.317 -3.081 1.00 0.00 C ATOM 24 O HIS A 3 58.980 -12.589 -3.847 1.00 0.00 O ATOM 25 CB HIS A 3 58.675 -14.389 -1.787 1.00 0.00 C ATOM 26 CG HIS A 3 58.725 -15.301 -2.981 1.00 0.00 C ATOM 27 ND1 HIS A 3 58.337 -15.126 -4.287 1.00 0.00 N flip ATOM 28 CD2 HIS A 3 59.229 -16.589 -2.906 1.00 0.00 C flip ATOM 29 CE1 HIS A 3 58.595 -16.285 -5.011 1.00 0.00 C flip ATOM 30 NE2 HIS A 3 59.132 -17.135 -4.133 1.00 0.00 N flip ATOM 0 H HIS A 3 56.086 -13.801 -3.419 1.00 0.00 H new ATOM 0 HA HIS A 3 57.419 -12.736 -1.108 1.00 0.00 H new ATOM 0 HB2 HIS A 3 59.649 -13.927 -1.627 1.00 0.00 H new ATOM 0 HB3 HIS A 3 58.442 -14.961 -0.889 1.00 0.00 H new ATOM 0 HD1 HIS A 3 57.923 -14.275 -4.668 1.00 0.00 H new ATOM 0 HD2 HIS A 3 59.627 -17.068 -2.024 1.00 0.00 H new ATOM 0 HE1 HIS A 3 58.402 -16.460 -6.059 1.00 0.00 H new ATOM 38 N MET A 4 57.464 -11.165 -3.138 1.00 0.00 N ATOM 39 CA MET A 4 57.870 -10.155 -4.158 1.00 0.00 C ATOM 40 C MET A 4 59.096 -9.376 -3.671 1.00 0.00 C ATOM 41 O MET A 4 59.185 -8.995 -2.521 1.00 0.00 O ATOM 42 CB MET A 4 56.664 -9.226 -4.295 1.00 0.00 C ATOM 43 CG MET A 4 56.543 -8.356 -3.043 1.00 0.00 C ATOM 44 SD MET A 4 57.245 -6.721 -3.372 1.00 0.00 S ATOM 45 CE MET A 4 55.728 -5.938 -3.971 1.00 0.00 C ATOM 0 H MET A 4 56.701 -10.880 -2.524 1.00 0.00 H new ATOM 0 HA MET A 4 58.142 -10.613 -5.109 1.00 0.00 H new ATOM 0 HB2 MET A 4 56.775 -8.597 -5.178 1.00 0.00 H new ATOM 0 HB3 MET A 4 55.755 -9.811 -4.433 1.00 0.00 H new ATOM 0 HG2 MET A 4 55.497 -8.262 -2.752 1.00 0.00 H new ATOM 0 HG3 MET A 4 57.064 -8.826 -2.209 1.00 0.00 H new ATOM 0 HE1 MET A 4 55.934 -4.901 -4.237 1.00 0.00 H new ATOM 0 HE2 MET A 4 55.365 -6.472 -4.849 1.00 0.00 H new ATOM 0 HE3 MET A 4 54.970 -5.968 -3.189 1.00 0.00 H new ATOM 55 N LEU A 5 60.040 -9.137 -4.539 1.00 0.00 N ATOM 56 CA LEU A 5 61.259 -8.384 -4.126 1.00 0.00 C ATOM 57 C LEU A 5 60.983 -6.878 -4.149 1.00 0.00 C ATOM 58 O LEU A 5 59.906 -6.440 -4.506 1.00 0.00 O ATOM 59 CB LEU A 5 62.322 -8.750 -5.162 1.00 0.00 C ATOM 60 CG LEU A 5 62.515 -10.267 -5.181 1.00 0.00 C ATOM 61 CD1 LEU A 5 62.987 -10.705 -6.568 1.00 0.00 C ATOM 62 CD2 LEU A 5 63.565 -10.659 -4.139 1.00 0.00 C ATOM 0 H LEU A 5 60.021 -9.430 -5.516 1.00 0.00 H new ATOM 0 HA LEU A 5 61.575 -8.634 -3.113 1.00 0.00 H new ATOM 0 HB2 LEU A 5 62.020 -8.399 -6.149 1.00 0.00 H new ATOM 0 HB3 LEU A 5 63.264 -8.256 -4.923 1.00 0.00 H new ATOM 0 HG LEU A 5 61.569 -10.756 -4.948 1.00 0.00 H new ATOM 0 HD11 LEU A 5 63.124 -11.786 -6.581 1.00 0.00 H new ATOM 0 HD12 LEU A 5 62.241 -10.425 -7.311 1.00 0.00 H new ATOM 0 HD13 LEU A 5 63.933 -10.216 -6.802 1.00 0.00 H new ATOM 0 HD21 LEU A 5 63.704 -11.740 -4.151 1.00 0.00 H new ATOM 0 HD22 LEU A 5 64.510 -10.169 -4.373 1.00 0.00 H new ATOM 0 HD23 LEU A 5 63.230 -10.347 -3.150 1.00 0.00 H new ATOM 74 N GLU A 6 61.945 -6.082 -3.772 1.00 0.00 N ATOM 75 CA GLU A 6 61.737 -4.605 -3.773 1.00 0.00 C ATOM 76 C GLU A 6 62.358 -3.985 -5.027 1.00 0.00 C ATOM 77 O GLU A 6 63.558 -3.813 -5.118 1.00 0.00 O ATOM 78 CB GLU A 6 62.450 -4.104 -2.517 1.00 0.00 C ATOM 79 CG GLU A 6 61.828 -2.779 -2.071 1.00 0.00 C ATOM 80 CD GLU A 6 62.711 -1.619 -2.536 1.00 0.00 C ATOM 81 OE1 GLU A 6 63.707 -1.359 -1.881 1.00 0.00 O ATOM 82 OE2 GLU A 6 62.377 -1.011 -3.540 1.00 0.00 O ATOM 0 H GLU A 6 62.867 -6.390 -3.463 1.00 0.00 H new ATOM 0 HA GLU A 6 60.681 -4.336 -3.776 1.00 0.00 H new ATOM 0 HB2 GLU A 6 62.368 -4.843 -1.720 1.00 0.00 H new ATOM 0 HB3 GLU A 6 63.513 -3.969 -2.718 1.00 0.00 H new ATOM 0 HG2 GLU A 6 60.826 -2.677 -2.488 1.00 0.00 H new ATOM 0 HG3 GLU A 6 61.726 -2.760 -0.986 1.00 0.00 H new ATOM 89 N ASP A 7 61.551 -3.648 -5.996 1.00 0.00 N ATOM 90 CA ASP A 7 62.095 -3.038 -7.243 1.00 0.00 C ATOM 91 C ASP A 7 60.950 -2.619 -8.170 1.00 0.00 C ATOM 92 O ASP A 7 60.885 -3.043 -9.306 1.00 0.00 O ATOM 93 CB ASP A 7 62.933 -4.142 -7.889 1.00 0.00 C ATOM 94 CG ASP A 7 64.351 -3.627 -8.139 1.00 0.00 C ATOM 95 OD1 ASP A 7 64.734 -2.667 -7.489 1.00 0.00 O ATOM 96 OD2 ASP A 7 65.031 -4.200 -8.974 1.00 0.00 O ATOM 0 H ASP A 7 60.538 -3.769 -5.978 1.00 0.00 H new ATOM 0 HA ASP A 7 62.684 -2.143 -7.043 1.00 0.00 H new ATOM 0 HB2 ASP A 7 62.962 -5.018 -7.241 1.00 0.00 H new ATOM 0 HB3 ASP A 7 62.478 -4.456 -8.828 1.00 0.00 H new ATOM 101 N PRO A 8 60.085 -1.795 -7.646 1.00 0.00 N ATOM 102 CA PRO A 8 58.928 -1.305 -8.426 1.00 0.00 C ATOM 103 C PRO A 8 59.394 -0.325 -9.495 1.00 0.00 C ATOM 104 O PRO A 8 60.534 -0.328 -9.914 1.00 0.00 O ATOM 105 CB PRO A 8 58.063 -0.601 -7.378 1.00 0.00 C ATOM 106 CG PRO A 8 59.017 -0.206 -6.303 1.00 0.00 C ATOM 107 CD PRO A 8 60.101 -1.244 -6.291 1.00 0.00 C ATOM 0 HA PRO A 8 58.392 -2.097 -8.949 1.00 0.00 H new ATOM 0 HB2 PRO A 8 57.559 0.269 -7.800 1.00 0.00 H new ATOM 0 HB3 PRO A 8 57.287 -1.264 -6.995 1.00 0.00 H new ATOM 0 HG2 PRO A 8 59.430 0.784 -6.496 1.00 0.00 H new ATOM 0 HG3 PRO A 8 58.515 -0.159 -5.337 1.00 0.00 H new ATOM 0 HD2 PRO A 8 61.070 -0.806 -6.051 1.00 0.00 H new ATOM 0 HD3 PRO A 8 59.906 -2.015 -5.545 1.00 0.00 H new ATOM 115 N VAL A 9 58.512 0.510 -9.931 1.00 0.00 N ATOM 116 CA VAL A 9 58.868 1.511 -10.977 1.00 0.00 C ATOM 117 C VAL A 9 59.947 2.462 -10.454 1.00 0.00 C ATOM 118 O VAL A 9 59.657 3.532 -9.956 1.00 0.00 O ATOM 119 CB VAL A 9 57.571 2.270 -11.255 1.00 0.00 C ATOM 120 CG1 VAL A 9 57.022 2.841 -9.946 1.00 0.00 C ATOM 121 CG2 VAL A 9 57.852 3.416 -12.231 1.00 0.00 C ATOM 0 H VAL A 9 57.545 0.550 -9.609 1.00 0.00 H new ATOM 0 HA VAL A 9 59.268 1.044 -11.877 1.00 0.00 H new ATOM 0 HB VAL A 9 56.839 1.590 -11.690 1.00 0.00 H new ATOM 0 HG11 VAL A 9 56.097 3.382 -10.145 1.00 0.00 H new ATOM 0 HG12 VAL A 9 56.823 2.027 -9.249 1.00 0.00 H new ATOM 0 HG13 VAL A 9 57.754 3.521 -9.510 1.00 0.00 H new ATOM 0 HG21 VAL A 9 56.928 3.959 -12.431 1.00 0.00 H new ATOM 0 HG22 VAL A 9 58.584 4.095 -11.794 1.00 0.00 H new ATOM 0 HG23 VAL A 9 58.244 3.011 -13.164 1.00 0.00 H new ATOM 131 N GLU A 10 61.190 2.082 -10.564 1.00 0.00 N ATOM 132 CA GLU A 10 62.287 2.965 -10.074 1.00 0.00 C ATOM 133 C GLU A 10 62.762 3.891 -11.197 1.00 0.00 C ATOM 134 O GLU A 10 62.052 4.142 -12.149 1.00 0.00 O ATOM 135 CB GLU A 10 63.407 2.011 -9.655 1.00 0.00 C ATOM 136 CG GLU A 10 62.878 1.031 -8.606 1.00 0.00 C ATOM 137 CD GLU A 10 63.942 0.810 -7.530 1.00 0.00 C ATOM 138 OE1 GLU A 10 64.791 -0.043 -7.730 1.00 0.00 O ATOM 139 OE2 GLU A 10 63.891 1.499 -6.525 1.00 0.00 O ATOM 0 H GLU A 10 61.494 1.198 -10.972 1.00 0.00 H new ATOM 0 HA GLU A 10 61.967 3.603 -9.251 1.00 0.00 H new ATOM 0 HB2 GLU A 10 63.778 1.466 -10.523 1.00 0.00 H new ATOM 0 HB3 GLU A 10 64.247 2.575 -9.250 1.00 0.00 H new ATOM 0 HG2 GLU A 10 61.966 1.422 -8.155 1.00 0.00 H new ATOM 0 HG3 GLU A 10 62.620 0.083 -9.077 1.00 0.00 H new ATOM 146 N GLY A 11 63.959 4.400 -11.093 1.00 0.00 N ATOM 147 CA GLY A 11 64.478 5.307 -12.155 1.00 0.00 C ATOM 148 C GLY A 11 65.215 6.483 -11.512 1.00 0.00 C ATOM 149 O GLY A 11 65.904 7.234 -12.174 1.00 0.00 O ATOM 0 H GLY A 11 64.600 4.227 -10.319 1.00 0.00 H new ATOM 0 HA2 GLY A 11 65.151 4.761 -12.816 1.00 0.00 H new ATOM 0 HA3 GLY A 11 63.655 5.673 -12.769 1.00 0.00 H new ATOM 153 N SER A 12 65.077 6.649 -10.225 1.00 0.00 N ATOM 154 CA SER A 12 65.772 7.778 -9.541 1.00 0.00 C ATOM 155 C SER A 12 65.663 7.626 -8.022 1.00 0.00 C ATOM 156 O SER A 12 64.699 8.048 -7.414 1.00 0.00 O ATOM 157 CB SER A 12 65.040 9.034 -10.008 1.00 0.00 C ATOM 158 OG SER A 12 63.638 8.795 -9.988 1.00 0.00 O ATOM 0 H SER A 12 64.514 6.053 -9.618 1.00 0.00 H new ATOM 0 HA SER A 12 66.835 7.813 -9.780 1.00 0.00 H new ATOM 0 HB2 SER A 12 65.287 9.875 -9.360 1.00 0.00 H new ATOM 0 HB3 SER A 12 65.361 9.303 -11.015 1.00 0.00 H new ATOM 0 HG SER A 12 63.380 8.437 -9.113 1.00 0.00 H new ATOM 164 N GLU A 13 66.644 7.029 -7.402 1.00 0.00 N ATOM 165 CA GLU A 13 66.605 6.850 -5.937 1.00 0.00 C ATOM 166 C GLU A 13 67.997 7.057 -5.358 1.00 0.00 C ATOM 167 O GLU A 13 68.807 6.153 -5.291 1.00 0.00 O ATOM 168 CB GLU A 13 66.174 5.418 -5.705 1.00 0.00 C ATOM 169 CG GLU A 13 65.150 4.981 -6.758 1.00 0.00 C ATOM 170 CD GLU A 13 65.880 4.452 -7.993 1.00 0.00 C ATOM 171 OE1 GLU A 13 66.997 3.986 -7.841 1.00 0.00 O ATOM 172 OE2 GLU A 13 65.309 4.520 -9.069 1.00 0.00 O ATOM 0 H GLU A 13 67.476 6.656 -7.859 1.00 0.00 H new ATOM 0 HA GLU A 13 65.928 7.561 -5.464 1.00 0.00 H new ATOM 0 HB2 GLU A 13 67.043 4.761 -5.742 1.00 0.00 H new ATOM 0 HB3 GLU A 13 65.743 5.320 -4.709 1.00 0.00 H new ATOM 0 HG2 GLU A 13 64.499 4.208 -6.349 1.00 0.00 H new ATOM 0 HG3 GLU A 13 64.513 5.822 -7.032 1.00 0.00 H new ATOM 179 N SER A 14 68.269 8.241 -4.944 1.00 0.00 N ATOM 180 CA SER A 14 69.604 8.556 -4.359 1.00 0.00 C ATOM 181 C SER A 14 69.440 9.163 -2.963 1.00 0.00 C ATOM 182 O SER A 14 68.367 9.582 -2.578 1.00 0.00 O ATOM 183 CB SER A 14 70.231 9.573 -5.314 1.00 0.00 C ATOM 184 OG SER A 14 69.234 10.072 -6.196 1.00 0.00 O ATOM 0 H SER A 14 67.621 9.028 -4.981 1.00 0.00 H new ATOM 0 HA SER A 14 70.224 7.666 -4.249 1.00 0.00 H new ATOM 0 HB2 SER A 14 70.675 10.393 -4.749 1.00 0.00 H new ATOM 0 HB3 SER A 14 71.035 9.106 -5.883 1.00 0.00 H new ATOM 0 HG SER A 14 69.635 10.725 -6.807 1.00 0.00 H new ATOM 190 N THR A 15 70.499 9.214 -2.203 1.00 0.00 N ATOM 191 CA THR A 15 70.408 9.793 -0.833 1.00 0.00 C ATOM 192 C THR A 15 71.752 10.401 -0.427 1.00 0.00 C ATOM 193 O THR A 15 72.000 10.667 0.733 1.00 0.00 O ATOM 194 CB THR A 15 70.056 8.611 0.073 1.00 0.00 C ATOM 195 OG1 THR A 15 68.721 8.200 -0.185 1.00 0.00 O ATOM 196 CG2 THR A 15 70.191 9.029 1.538 1.00 0.00 C ATOM 0 H THR A 15 71.424 8.879 -2.472 1.00 0.00 H new ATOM 0 HA THR A 15 69.667 10.590 -0.768 1.00 0.00 H new ATOM 0 HB THR A 15 70.736 7.783 -0.129 1.00 0.00 H new ATOM 0 HG1 THR A 15 68.495 7.442 0.393 1.00 0.00 H new ATOM 0 HG21 THR A 15 69.940 8.186 2.182 1.00 0.00 H new ATOM 0 HG22 THR A 15 71.216 9.342 1.734 1.00 0.00 H new ATOM 0 HG23 THR A 15 69.513 9.857 1.744 1.00 0.00 H new ATOM 204 N THR A 16 72.625 10.624 -1.373 1.00 0.00 N ATOM 205 CA THR A 16 73.954 11.213 -1.036 1.00 0.00 C ATOM 206 C THR A 16 74.765 11.456 -2.309 1.00 0.00 C ATOM 207 O THR A 16 74.430 10.959 -3.366 1.00 0.00 O ATOM 208 CB THR A 16 74.647 10.170 -0.158 1.00 0.00 C ATOM 209 OG1 THR A 16 73.876 8.977 -0.140 1.00 0.00 O ATOM 210 CG2 THR A 16 74.790 10.705 1.266 1.00 0.00 C ATOM 0 H THR A 16 72.476 10.424 -2.362 1.00 0.00 H new ATOM 0 HA THR A 16 73.857 12.173 -0.529 1.00 0.00 H new ATOM 0 HB THR A 16 75.636 9.959 -0.564 1.00 0.00 H new ATOM 0 HG1 THR A 16 74.141 8.405 -0.890 1.00 0.00 H new ATOM 0 HG21 THR A 16 75.284 9.958 1.887 1.00 0.00 H new ATOM 0 HG22 THR A 16 75.385 11.618 1.254 1.00 0.00 H new ATOM 0 HG23 THR A 16 73.803 10.921 1.674 1.00 0.00 H new ATOM 218 N PRO A 17 75.811 12.218 -2.159 1.00 0.00 N ATOM 219 CA PRO A 17 76.690 12.542 -3.304 1.00 0.00 C ATOM 220 C PRO A 17 77.647 11.381 -3.591 1.00 0.00 C ATOM 221 O PRO A 17 78.114 11.210 -4.699 1.00 0.00 O ATOM 222 CB PRO A 17 77.462 13.766 -2.822 1.00 0.00 C ATOM 223 CG PRO A 17 77.458 13.676 -1.326 1.00 0.00 C ATOM 224 CD PRO A 17 76.264 12.850 -0.917 1.00 0.00 C ATOM 0 HA PRO A 17 76.140 12.721 -4.228 1.00 0.00 H new ATOM 0 HB2 PRO A 17 78.480 13.767 -3.213 1.00 0.00 H new ATOM 0 HB3 PRO A 17 76.989 14.687 -3.161 1.00 0.00 H new ATOM 0 HG2 PRO A 17 78.380 13.218 -0.968 1.00 0.00 H new ATOM 0 HG3 PRO A 17 77.404 14.671 -0.884 1.00 0.00 H new ATOM 0 HD2 PRO A 17 76.534 12.105 -0.169 1.00 0.00 H new ATOM 0 HD3 PRO A 17 75.482 13.472 -0.480 1.00 0.00 H new ATOM 232 N PHE A 18 77.947 10.585 -2.599 1.00 0.00 N ATOM 233 CA PHE A 18 78.880 9.443 -2.821 1.00 0.00 C ATOM 234 C PHE A 18 78.142 8.107 -2.704 1.00 0.00 C ATOM 235 O PHE A 18 77.755 7.689 -1.632 1.00 0.00 O ATOM 236 CB PHE A 18 79.931 9.574 -1.718 1.00 0.00 C ATOM 237 CG PHE A 18 80.801 10.774 -2.000 1.00 0.00 C ATOM 238 CD1 PHE A 18 81.830 10.686 -2.944 1.00 0.00 C ATOM 239 CD2 PHE A 18 80.573 11.976 -1.323 1.00 0.00 C ATOM 240 CE1 PHE A 18 82.633 11.802 -3.209 1.00 0.00 C ATOM 241 CE2 PHE A 18 81.376 13.093 -1.587 1.00 0.00 C ATOM 242 CZ PHE A 18 82.406 13.004 -2.531 1.00 0.00 C ATOM 0 H PHE A 18 77.588 10.676 -1.649 1.00 0.00 H new ATOM 0 HA PHE A 18 79.322 9.465 -3.817 1.00 0.00 H new ATOM 0 HB2 PHE A 18 79.446 9.682 -0.748 1.00 0.00 H new ATOM 0 HB3 PHE A 18 80.540 8.671 -1.671 1.00 0.00 H new ATOM 0 HD1 PHE A 18 82.005 9.758 -3.468 1.00 0.00 H new ATOM 0 HD2 PHE A 18 79.777 12.043 -0.596 1.00 0.00 H new ATOM 0 HE1 PHE A 18 83.428 11.735 -3.937 1.00 0.00 H new ATOM 0 HE2 PHE A 18 81.201 14.021 -1.063 1.00 0.00 H new ATOM 0 HZ PHE A 18 83.026 13.864 -2.736 1.00 0.00 H new ATOM 252 N ASN A 19 77.953 7.434 -3.805 1.00 0.00 N ATOM 253 CA ASN A 19 77.253 6.123 -3.779 1.00 0.00 C ATOM 254 C ASN A 19 77.920 5.183 -4.782 1.00 0.00 C ATOM 255 O ASN A 19 78.490 5.615 -5.763 1.00 0.00 O ATOM 256 CB ASN A 19 75.819 6.433 -4.203 1.00 0.00 C ATOM 257 CG ASN A 19 75.326 7.686 -3.477 1.00 0.00 C ATOM 258 OD1 ASN A 19 75.295 7.726 -2.263 1.00 0.00 O ATOM 259 ND2 ASN A 19 74.938 8.719 -4.173 1.00 0.00 N ATOM 0 H ASN A 19 78.257 7.741 -4.729 1.00 0.00 H new ATOM 0 HA ASN A 19 77.285 5.641 -2.802 1.00 0.00 H new ATOM 0 HB2 ASN A 19 75.773 6.584 -5.281 1.00 0.00 H new ATOM 0 HB3 ASN A 19 75.170 5.588 -3.972 1.00 0.00 H new ATOM 0 HD21 ASN A 19 74.609 9.560 -3.698 1.00 0.00 H new ATOM 0 HD22 ASN A 19 74.964 8.686 -5.192 1.00 0.00 H new ATOM 266 N LEU A 20 77.862 3.905 -4.547 1.00 0.00 N ATOM 267 CA LEU A 20 78.507 2.958 -5.499 1.00 0.00 C ATOM 268 C LEU A 20 77.977 1.538 -5.295 1.00 0.00 C ATOM 269 O LEU A 20 77.091 1.298 -4.498 1.00 0.00 O ATOM 270 CB LEU A 20 79.998 3.022 -5.169 1.00 0.00 C ATOM 271 CG LEU A 20 80.204 2.765 -3.676 1.00 0.00 C ATOM 272 CD1 LEU A 20 80.015 1.275 -3.381 1.00 0.00 C ATOM 273 CD2 LEU A 20 81.621 3.184 -3.279 1.00 0.00 C ATOM 0 H LEU A 20 77.401 3.476 -3.745 1.00 0.00 H new ATOM 0 HA LEU A 20 78.301 3.221 -6.536 1.00 0.00 H new ATOM 0 HB2 LEU A 20 80.543 2.281 -5.754 1.00 0.00 H new ATOM 0 HB3 LEU A 20 80.399 3.999 -5.439 1.00 0.00 H new ATOM 0 HG LEU A 20 79.477 3.343 -3.105 1.00 0.00 H new ATOM 0 HD11 LEU A 20 80.162 1.093 -2.316 1.00 0.00 H new ATOM 0 HD12 LEU A 20 79.007 0.973 -3.665 1.00 0.00 H new ATOM 0 HD13 LEU A 20 80.741 0.696 -3.952 1.00 0.00 H new ATOM 0 HD21 LEU A 20 81.770 3.001 -2.215 1.00 0.00 H new ATOM 0 HD22 LEU A 20 82.346 2.605 -3.851 1.00 0.00 H new ATOM 0 HD23 LEU A 20 81.759 4.245 -3.488 1.00 0.00 H new ATOM 285 N PHE A 21 78.518 0.598 -6.016 1.00 0.00 N ATOM 286 CA PHE A 21 78.061 -0.811 -5.879 1.00 0.00 C ATOM 287 C PHE A 21 79.097 -1.611 -5.085 1.00 0.00 C ATOM 288 O PHE A 21 80.264 -1.273 -5.056 1.00 0.00 O ATOM 289 CB PHE A 21 77.959 -1.318 -7.320 1.00 0.00 C ATOM 290 CG PHE A 21 77.089 -2.555 -7.399 1.00 0.00 C ATOM 291 CD1 PHE A 21 76.024 -2.744 -6.505 1.00 0.00 C ATOM 292 CD2 PHE A 21 77.349 -3.516 -8.384 1.00 0.00 C ATOM 293 CE1 PHE A 21 75.226 -3.890 -6.599 1.00 0.00 C ATOM 294 CE2 PHE A 21 76.551 -4.661 -8.476 1.00 0.00 C ATOM 295 CZ PHE A 21 75.490 -4.849 -7.584 1.00 0.00 C ATOM 0 H PHE A 21 79.262 0.746 -6.698 1.00 0.00 H new ATOM 0 HA PHE A 21 77.114 -0.907 -5.348 1.00 0.00 H new ATOM 0 HB2 PHE A 21 77.544 -0.536 -7.956 1.00 0.00 H new ATOM 0 HB3 PHE A 21 78.955 -1.544 -7.701 1.00 0.00 H new ATOM 0 HD1 PHE A 21 75.820 -2.005 -5.744 1.00 0.00 H new ATOM 0 HD2 PHE A 21 78.167 -3.373 -9.074 1.00 0.00 H new ATOM 0 HE1 PHE A 21 74.406 -4.035 -5.911 1.00 0.00 H new ATOM 0 HE2 PHE A 21 76.754 -5.401 -9.236 1.00 0.00 H new ATOM 0 HZ PHE A 21 74.875 -5.734 -7.655 1.00 0.00 H new ATOM 305 N ILE A 22 78.684 -2.664 -4.438 1.00 0.00 N ATOM 306 CA ILE A 22 79.650 -3.472 -3.646 1.00 0.00 C ATOM 307 C ILE A 22 79.282 -4.950 -3.746 1.00 0.00 C ATOM 308 O ILE A 22 78.141 -5.296 -3.947 1.00 0.00 O ATOM 309 CB ILE A 22 79.504 -2.956 -2.208 1.00 0.00 C ATOM 310 CG1 ILE A 22 80.417 -1.743 -2.010 1.00 0.00 C ATOM 311 CG2 ILE A 22 79.898 -4.050 -1.212 1.00 0.00 C ATOM 312 CD1 ILE A 22 80.203 -1.166 -0.611 1.00 0.00 C ATOM 0 H ILE A 22 77.721 -2.999 -4.424 1.00 0.00 H new ATOM 0 HA ILE A 22 80.677 -3.379 -3.999 1.00 0.00 H new ATOM 0 HB ILE A 22 78.466 -2.673 -2.036 1.00 0.00 H new ATOM 0 HG12 ILE A 22 81.459 -2.034 -2.139 1.00 0.00 H new ATOM 0 HG13 ILE A 22 80.202 -0.986 -2.764 1.00 0.00 H new ATOM 0 HG21 ILE A 22 79.790 -3.672 -0.195 1.00 0.00 H new ATOM 0 HG22 ILE A 22 79.250 -4.916 -1.348 1.00 0.00 H new ATOM 0 HG23 ILE A 22 80.934 -4.342 -1.383 1.00 0.00 H new ATOM 0 HD11 ILE A 22 80.853 -0.302 -0.470 1.00 0.00 H new ATOM 0 HD12 ILE A 22 79.163 -0.859 -0.499 1.00 0.00 H new ATOM 0 HD13 ILE A 22 80.440 -1.924 0.135 1.00 0.00 H new ATOM 324 N GLY A 23 80.237 -5.823 -3.609 1.00 0.00 N ATOM 325 CA GLY A 23 79.921 -7.274 -3.702 1.00 0.00 C ATOM 326 C GLY A 23 80.730 -8.049 -2.664 1.00 0.00 C ATOM 327 O GLY A 23 81.311 -7.479 -1.762 1.00 0.00 O ATOM 0 H GLY A 23 81.217 -5.598 -3.438 1.00 0.00 H new ATOM 0 HA2 GLY A 23 78.855 -7.434 -3.539 1.00 0.00 H new ATOM 0 HA3 GLY A 23 80.149 -7.642 -4.702 1.00 0.00 H new ATOM 331 N ASN A 24 80.767 -9.348 -2.781 1.00 0.00 N ATOM 332 CA ASN A 24 81.531 -10.171 -1.796 1.00 0.00 C ATOM 333 C ASN A 24 80.814 -10.164 -0.445 1.00 0.00 C ATOM 334 O ASN A 24 81.433 -10.118 0.599 1.00 0.00 O ATOM 335 CB ASN A 24 82.902 -9.499 -1.684 1.00 0.00 C ATOM 336 CG ASN A 24 83.996 -10.568 -1.671 1.00 0.00 C ATOM 337 OD1 ASN A 24 84.167 -11.291 -2.632 1.00 0.00 O ATOM 338 ND2 ASN A 24 84.749 -10.701 -0.613 1.00 0.00 N ATOM 0 H ASN A 24 80.301 -9.878 -3.517 1.00 0.00 H new ATOM 0 HA ASN A 24 81.620 -11.212 -2.107 1.00 0.00 H new ATOM 0 HB2 ASN A 24 83.054 -8.818 -2.521 1.00 0.00 H new ATOM 0 HB3 ASN A 24 82.952 -8.901 -0.774 1.00 0.00 H new ATOM 0 HD21 ASN A 24 85.480 -11.412 -0.594 1.00 0.00 H new ATOM 0 HD22 ASN A 24 84.606 -10.094 0.194 1.00 0.00 H new ATOM 345 N LEU A 25 79.510 -10.208 -0.461 1.00 0.00 N ATOM 346 CA LEU A 25 78.745 -10.201 0.819 1.00 0.00 C ATOM 347 C LEU A 25 78.543 -11.630 1.324 1.00 0.00 C ATOM 348 O LEU A 25 78.075 -12.495 0.610 1.00 0.00 O ATOM 349 CB LEU A 25 77.402 -9.557 0.475 1.00 0.00 C ATOM 350 CG LEU A 25 77.584 -8.047 0.305 1.00 0.00 C ATOM 351 CD1 LEU A 25 78.208 -7.459 1.572 1.00 0.00 C ATOM 352 CD2 LEU A 25 78.506 -7.776 -0.887 1.00 0.00 C ATOM 0 H LEU A 25 78.940 -10.249 -1.306 1.00 0.00 H new ATOM 0 HA LEU A 25 79.266 -9.659 1.608 1.00 0.00 H new ATOM 0 HB2 LEU A 25 77.004 -9.991 -0.442 1.00 0.00 H new ATOM 0 HB3 LEU A 25 76.678 -9.759 1.264 1.00 0.00 H new ATOM 0 HG LEU A 25 76.613 -7.584 0.130 1.00 0.00 H new ATOM 0 HD11 LEU A 25 78.337 -6.384 1.449 1.00 0.00 H new ATOM 0 HD12 LEU A 25 77.554 -7.651 2.423 1.00 0.00 H new ATOM 0 HD13 LEU A 25 79.179 -7.923 1.749 1.00 0.00 H new ATOM 0 HD21 LEU A 25 78.636 -6.701 -1.009 1.00 0.00 H new ATOM 0 HD22 LEU A 25 79.476 -8.241 -0.710 1.00 0.00 H new ATOM 0 HD23 LEU A 25 78.063 -8.193 -1.792 1.00 0.00 H new ATOM 364 N ASN A 26 78.894 -11.875 2.554 1.00 0.00 N ATOM 365 CA ASN A 26 78.732 -13.239 3.132 1.00 0.00 C ATOM 366 C ASN A 26 77.411 -13.864 2.672 1.00 0.00 C ATOM 367 O ASN A 26 76.362 -13.563 3.204 1.00 0.00 O ATOM 368 CB ASN A 26 78.722 -13.008 4.641 1.00 0.00 C ATOM 369 CG ASN A 26 78.840 -14.348 5.369 1.00 0.00 C ATOM 370 OD1 ASN A 26 78.140 -15.289 5.051 1.00 0.00 O ATOM 371 ND2 ASN A 26 79.702 -14.475 6.339 1.00 0.00 N ATOM 0 H ASN A 26 79.290 -11.183 3.190 1.00 0.00 H new ATOM 0 HA ASN A 26 79.521 -13.923 2.820 1.00 0.00 H new ATOM 0 HB2 ASN A 26 79.548 -12.356 4.924 1.00 0.00 H new ATOM 0 HB3 ASN A 26 77.802 -12.503 4.935 1.00 0.00 H new ATOM 0 HD21 ASN A 26 79.789 -15.364 6.831 1.00 0.00 H new ATOM 0 HD22 ASN A 26 80.290 -13.685 6.606 1.00 0.00 H new ATOM 378 N PRO A 27 77.514 -14.719 1.691 1.00 0.00 N ATOM 379 CA PRO A 27 76.316 -15.401 1.142 1.00 0.00 C ATOM 380 C PRO A 27 75.833 -16.493 2.102 1.00 0.00 C ATOM 381 O PRO A 27 74.743 -17.011 1.968 1.00 0.00 O ATOM 382 CB PRO A 27 76.819 -16.012 -0.162 1.00 0.00 C ATOM 383 CG PRO A 27 78.293 -16.182 0.029 1.00 0.00 C ATOM 384 CD PRO A 27 78.745 -15.124 1.004 1.00 0.00 C ATOM 0 HA PRO A 27 75.471 -14.729 0.996 1.00 0.00 H new ATOM 0 HB2 PRO A 27 76.335 -16.968 -0.362 1.00 0.00 H new ATOM 0 HB3 PRO A 27 76.604 -15.362 -1.010 1.00 0.00 H new ATOM 0 HG2 PRO A 27 78.518 -17.178 0.411 1.00 0.00 H new ATOM 0 HG3 PRO A 27 78.818 -16.078 -0.921 1.00 0.00 H new ATOM 0 HD2 PRO A 27 79.482 -15.517 1.705 1.00 0.00 H new ATOM 0 HD3 PRO A 27 79.210 -14.282 0.491 1.00 0.00 H new ATOM 392 N ASN A 28 76.636 -16.846 3.069 1.00 0.00 N ATOM 393 CA ASN A 28 76.221 -17.904 4.035 1.00 0.00 C ATOM 394 C ASN A 28 75.443 -17.277 5.195 1.00 0.00 C ATOM 395 O ASN A 28 74.853 -17.963 6.005 1.00 0.00 O ATOM 396 CB ASN A 28 77.527 -18.520 4.536 1.00 0.00 C ATOM 397 CG ASN A 28 78.455 -18.786 3.350 1.00 0.00 C ATOM 398 OD1 ASN A 28 78.375 -19.823 2.722 1.00 0.00 O ATOM 399 ND2 ASN A 28 79.338 -17.886 3.013 1.00 0.00 N ATOM 0 H ASN A 28 77.561 -16.448 3.232 1.00 0.00 H new ATOM 0 HA ASN A 28 75.570 -18.650 3.579 1.00 0.00 H new ATOM 0 HB2 ASN A 28 78.010 -17.848 5.245 1.00 0.00 H new ATOM 0 HB3 ASN A 28 77.323 -19.450 5.067 1.00 0.00 H new ATOM 0 HD21 ASN A 28 79.961 -18.053 2.223 1.00 0.00 H new ATOM 0 HD22 ASN A 28 79.405 -17.015 3.540 1.00 0.00 H new ATOM 406 N LYS A 29 75.440 -15.976 5.275 1.00 0.00 N ATOM 407 CA LYS A 29 74.706 -15.294 6.373 1.00 0.00 C ATOM 408 C LYS A 29 73.523 -14.514 5.798 1.00 0.00 C ATOM 409 O LYS A 29 73.057 -14.789 4.711 1.00 0.00 O ATOM 410 CB LYS A 29 75.733 -14.352 6.996 1.00 0.00 C ATOM 411 CG LYS A 29 76.239 -14.961 8.303 1.00 0.00 C ATOM 412 CD LYS A 29 77.590 -14.346 8.670 1.00 0.00 C ATOM 413 CE LYS A 29 77.813 -14.482 10.176 1.00 0.00 C ATOM 414 NZ LYS A 29 79.217 -14.039 10.400 1.00 0.00 N ATOM 0 H LYS A 29 75.917 -15.354 4.623 1.00 0.00 H new ATOM 0 HA LYS A 29 74.298 -15.988 7.107 1.00 0.00 H new ATOM 0 HB2 LYS A 29 76.564 -14.193 6.308 1.00 0.00 H new ATOM 0 HB3 LYS A 29 75.284 -13.377 7.184 1.00 0.00 H new ATOM 0 HG2 LYS A 29 75.519 -14.783 9.101 1.00 0.00 H new ATOM 0 HG3 LYS A 29 76.337 -16.041 8.198 1.00 0.00 H new ATOM 0 HD2 LYS A 29 78.391 -14.846 8.125 1.00 0.00 H new ATOM 0 HD3 LYS A 29 77.615 -13.296 8.380 1.00 0.00 H new ATOM 0 HE2 LYS A 29 77.110 -13.865 10.736 1.00 0.00 H new ATOM 0 HE3 LYS A 29 77.667 -15.511 10.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 79.444 -14.104 11.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 79.864 -14.649 9.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 79.325 -13.054 10.084 1.00 0.00 H new ATOM 428 N SER A 30 73.033 -13.547 6.517 1.00 0.00 N ATOM 429 CA SER A 30 71.879 -12.757 6.003 1.00 0.00 C ATOM 430 C SER A 30 72.366 -11.465 5.355 1.00 0.00 C ATOM 431 O SER A 30 73.333 -10.864 5.785 1.00 0.00 O ATOM 432 CB SER A 30 71.035 -12.433 7.227 1.00 0.00 C ATOM 433 OG SER A 30 71.028 -13.548 8.108 1.00 0.00 O ATOM 0 H SER A 30 73.379 -13.268 7.435 1.00 0.00 H new ATOM 0 HA SER A 30 71.318 -13.309 5.249 1.00 0.00 H new ATOM 0 HB2 SER A 30 71.436 -11.556 7.736 1.00 0.00 H new ATOM 0 HB3 SER A 30 70.017 -12.188 6.925 1.00 0.00 H new ATOM 0 HG SER A 30 70.486 -13.338 8.897 1.00 0.00 H new ATOM 439 N VAL A 31 71.698 -11.021 4.331 1.00 0.00 N ATOM 440 CA VAL A 31 72.127 -9.760 3.677 1.00 0.00 C ATOM 441 C VAL A 31 71.949 -8.601 4.656 1.00 0.00 C ATOM 442 O VAL A 31 72.767 -7.707 4.728 1.00 0.00 O ATOM 443 CB VAL A 31 71.224 -9.597 2.456 1.00 0.00 C ATOM 444 CG1 VAL A 31 71.845 -8.580 1.496 1.00 0.00 C ATOM 445 CG2 VAL A 31 71.080 -10.943 1.741 1.00 0.00 C ATOM 0 H VAL A 31 70.880 -11.473 3.922 1.00 0.00 H new ATOM 0 HA VAL A 31 73.176 -9.776 3.380 1.00 0.00 H new ATOM 0 HB VAL A 31 70.243 -9.248 2.777 1.00 0.00 H new ATOM 0 HG11 VAL A 31 71.202 -8.463 0.624 1.00 0.00 H new ATOM 0 HG12 VAL A 31 71.950 -7.620 2.001 1.00 0.00 H new ATOM 0 HG13 VAL A 31 72.826 -8.932 1.178 1.00 0.00 H new ATOM 0 HG21 VAL A 31 70.435 -10.825 0.870 1.00 0.00 H new ATOM 0 HG22 VAL A 31 72.062 -11.292 1.421 1.00 0.00 H new ATOM 0 HG23 VAL A 31 70.640 -11.672 2.422 1.00 0.00 H new ATOM 455 N ALA A 32 70.895 -8.619 5.426 1.00 0.00 N ATOM 456 CA ALA A 32 70.683 -7.526 6.415 1.00 0.00 C ATOM 457 C ALA A 32 71.865 -7.487 7.383 1.00 0.00 C ATOM 458 O ALA A 32 72.323 -6.434 7.785 1.00 0.00 O ATOM 459 CB ALA A 32 69.393 -7.895 7.150 1.00 0.00 C ATOM 0 H ALA A 32 70.174 -9.341 5.413 1.00 0.00 H new ATOM 0 HA ALA A 32 70.608 -6.543 5.950 1.00 0.00 H new ATOM 0 HB1 ALA A 32 69.170 -7.134 7.898 1.00 0.00 H new ATOM 0 HB2 ALA A 32 68.572 -7.954 6.436 1.00 0.00 H new ATOM 0 HB3 ALA A 32 69.517 -8.860 7.641 1.00 0.00 H new ATOM 465 N GLU A 33 72.374 -8.632 7.746 1.00 0.00 N ATOM 466 CA GLU A 33 73.538 -8.672 8.670 1.00 0.00 C ATOM 467 C GLU A 33 74.762 -8.104 7.945 1.00 0.00 C ATOM 468 O GLU A 33 75.641 -7.522 8.546 1.00 0.00 O ATOM 469 CB GLU A 33 73.696 -10.165 9.036 1.00 0.00 C ATOM 470 CG GLU A 33 74.948 -10.780 8.397 1.00 0.00 C ATOM 471 CD GLU A 33 75.287 -12.084 9.118 1.00 0.00 C ATOM 472 OE1 GLU A 33 74.453 -12.973 9.112 1.00 0.00 O ATOM 473 OE2 GLU A 33 76.374 -12.168 9.667 1.00 0.00 O ATOM 0 H GLU A 33 72.032 -9.543 7.441 1.00 0.00 H new ATOM 0 HA GLU A 33 73.413 -8.074 9.573 1.00 0.00 H new ATOM 0 HB2 GLU A 33 73.753 -10.269 10.120 1.00 0.00 H new ATOM 0 HB3 GLU A 33 72.814 -10.715 8.708 1.00 0.00 H new ATOM 0 HG2 GLU A 33 74.775 -10.970 7.338 1.00 0.00 H new ATOM 0 HG3 GLU A 33 75.785 -10.085 8.464 1.00 0.00 H new ATOM 480 N LEU A 34 74.812 -8.257 6.649 1.00 0.00 N ATOM 481 CA LEU A 34 75.962 -7.717 5.881 1.00 0.00 C ATOM 482 C LEU A 34 75.910 -6.189 5.894 1.00 0.00 C ATOM 483 O LEU A 34 76.925 -5.521 5.879 1.00 0.00 O ATOM 484 CB LEU A 34 75.772 -8.260 4.466 1.00 0.00 C ATOM 485 CG LEU A 34 76.393 -9.653 4.370 1.00 0.00 C ATOM 486 CD1 LEU A 34 75.700 -10.448 3.263 1.00 0.00 C ATOM 487 CD2 LEU A 34 77.884 -9.525 4.048 1.00 0.00 C ATOM 0 H LEU A 34 74.103 -8.734 6.092 1.00 0.00 H new ATOM 0 HA LEU A 34 76.928 -8.007 6.295 1.00 0.00 H new ATOM 0 HB2 LEU A 34 74.711 -8.305 4.221 1.00 0.00 H new ATOM 0 HB3 LEU A 34 76.238 -7.591 3.742 1.00 0.00 H new ATOM 0 HG LEU A 34 76.268 -10.171 5.321 1.00 0.00 H new ATOM 0 HD11 LEU A 34 76.144 -11.441 3.196 1.00 0.00 H new ATOM 0 HD12 LEU A 34 74.638 -10.540 3.491 1.00 0.00 H new ATOM 0 HD13 LEU A 34 75.823 -9.930 2.312 1.00 0.00 H new ATOM 0 HD21 LEU A 34 78.328 -10.518 3.979 1.00 0.00 H new ATOM 0 HD22 LEU A 34 78.008 -9.006 3.098 1.00 0.00 H new ATOM 0 HD23 LEU A 34 78.380 -8.960 4.837 1.00 0.00 H new ATOM 499 N LYS A 35 74.731 -5.631 5.938 1.00 0.00 N ATOM 500 CA LYS A 35 74.612 -4.146 5.972 1.00 0.00 C ATOM 501 C LYS A 35 75.121 -3.629 7.318 1.00 0.00 C ATOM 502 O LYS A 35 75.958 -2.751 7.385 1.00 0.00 O ATOM 503 CB LYS A 35 73.118 -3.852 5.817 1.00 0.00 C ATOM 504 CG LYS A 35 72.575 -4.566 4.576 1.00 0.00 C ATOM 505 CD LYS A 35 73.396 -4.163 3.350 1.00 0.00 C ATOM 506 CE LYS A 35 74.096 -5.396 2.775 1.00 0.00 C ATOM 507 NZ LYS A 35 74.929 -4.877 1.655 1.00 0.00 N ATOM 0 H LYS A 35 73.846 -6.139 5.952 1.00 0.00 H new ATOM 0 HA LYS A 35 75.196 -3.663 5.189 1.00 0.00 H new ATOM 0 HB2 LYS A 35 72.579 -4.184 6.704 1.00 0.00 H new ATOM 0 HB3 LYS A 35 72.957 -2.778 5.729 1.00 0.00 H new ATOM 0 HG2 LYS A 35 72.620 -5.646 4.717 1.00 0.00 H new ATOM 0 HG3 LYS A 35 71.527 -4.307 4.425 1.00 0.00 H new ATOM 0 HD2 LYS A 35 72.748 -3.716 2.596 1.00 0.00 H new ATOM 0 HD3 LYS A 35 74.133 -3.409 3.625 1.00 0.00 H new ATOM 0 HE2 LYS A 35 74.710 -5.889 3.529 1.00 0.00 H new ATOM 0 HE3 LYS A 35 73.373 -6.132 2.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 75.441 -5.665 1.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 74.317 -4.419 0.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 75.612 -4.184 2.022 1.00 0.00 H new ATOM 521 N VAL A 36 74.624 -4.182 8.390 1.00 0.00 N ATOM 522 CA VAL A 36 75.081 -3.744 9.740 1.00 0.00 C ATOM 523 C VAL A 36 76.578 -3.988 9.885 1.00 0.00 C ATOM 524 O VAL A 36 77.291 -3.187 10.446 1.00 0.00 O ATOM 525 CB VAL A 36 74.312 -4.622 10.715 1.00 0.00 C ATOM 526 CG1 VAL A 36 74.481 -4.082 12.136 1.00 0.00 C ATOM 527 CG2 VAL A 36 72.828 -4.625 10.342 1.00 0.00 C ATOM 0 H VAL A 36 73.920 -4.920 8.390 1.00 0.00 H new ATOM 0 HA VAL A 36 74.906 -2.682 9.914 1.00 0.00 H new ATOM 0 HB VAL A 36 74.700 -5.640 10.667 1.00 0.00 H new ATOM 0 HG11 VAL A 36 73.929 -4.713 12.833 1.00 0.00 H new ATOM 0 HG12 VAL A 36 75.538 -4.085 12.403 1.00 0.00 H new ATOM 0 HG13 VAL A 36 74.097 -3.063 12.186 1.00 0.00 H new ATOM 0 HG21 VAL A 36 72.278 -5.255 11.042 1.00 0.00 H new ATOM 0 HG22 VAL A 36 72.439 -3.608 10.387 1.00 0.00 H new ATOM 0 HG23 VAL A 36 72.708 -5.015 9.331 1.00 0.00 H new ATOM 537 N ALA A 37 77.065 -5.087 9.380 1.00 0.00 N ATOM 538 CA ALA A 37 78.522 -5.359 9.489 1.00 0.00 C ATOM 539 C ALA A 37 79.281 -4.271 8.740 1.00 0.00 C ATOM 540 O ALA A 37 80.347 -3.851 9.141 1.00 0.00 O ATOM 541 CB ALA A 37 78.732 -6.721 8.829 1.00 0.00 C ATOM 0 H ALA A 37 76.520 -5.803 8.900 1.00 0.00 H new ATOM 0 HA ALA A 37 78.878 -5.365 10.519 1.00 0.00 H new ATOM 0 HB1 ALA A 37 79.788 -6.987 8.873 1.00 0.00 H new ATOM 0 HB2 ALA A 37 78.146 -7.474 9.355 1.00 0.00 H new ATOM 0 HB3 ALA A 37 78.412 -6.674 7.788 1.00 0.00 H new ATOM 547 N ILE A 38 78.723 -3.798 7.663 1.00 0.00 N ATOM 548 CA ILE A 38 79.392 -2.721 6.893 1.00 0.00 C ATOM 549 C ILE A 38 79.143 -1.380 7.584 1.00 0.00 C ATOM 550 O ILE A 38 79.957 -0.480 7.529 1.00 0.00 O ATOM 551 CB ILE A 38 78.737 -2.748 5.512 1.00 0.00 C ATOM 552 CG1 ILE A 38 79.013 -4.097 4.844 1.00 0.00 C ATOM 553 CG2 ILE A 38 79.317 -1.625 4.649 1.00 0.00 C ATOM 554 CD1 ILE A 38 77.932 -4.379 3.799 1.00 0.00 C ATOM 0 H ILE A 38 77.830 -4.113 7.283 1.00 0.00 H new ATOM 0 HA ILE A 38 80.471 -2.859 6.823 1.00 0.00 H new ATOM 0 HB ILE A 38 77.661 -2.606 5.618 1.00 0.00 H new ATOM 0 HG12 ILE A 38 79.996 -4.087 4.373 1.00 0.00 H new ATOM 0 HG13 ILE A 38 79.026 -4.890 5.592 1.00 0.00 H new ATOM 0 HG21 ILE A 38 78.850 -1.645 3.664 1.00 0.00 H new ATOM 0 HG22 ILE A 38 79.122 -0.663 5.124 1.00 0.00 H new ATOM 0 HG23 ILE A 38 80.393 -1.766 4.543 1.00 0.00 H new ATOM 0 HD11 ILE A 38 78.128 -5.340 3.323 1.00 0.00 H new ATOM 0 HD12 ILE A 38 76.956 -4.407 4.283 1.00 0.00 H new ATOM 0 HD13 ILE A 38 77.941 -3.592 3.045 1.00 0.00 H new ATOM 566 N SER A 39 78.027 -1.247 8.255 1.00 0.00 N ATOM 567 CA SER A 39 77.745 0.035 8.962 1.00 0.00 C ATOM 568 C SER A 39 78.552 0.080 10.258 1.00 0.00 C ATOM 569 O SER A 39 78.928 1.129 10.743 1.00 0.00 O ATOM 570 CB SER A 39 76.246 0.006 9.259 1.00 0.00 C ATOM 571 OG SER A 39 75.851 1.259 9.802 1.00 0.00 O ATOM 0 H SER A 39 77.307 -1.964 8.343 1.00 0.00 H new ATOM 0 HA SER A 39 78.017 0.912 8.375 1.00 0.00 H new ATOM 0 HB2 SER A 39 75.687 -0.201 8.347 1.00 0.00 H new ATOM 0 HB3 SER A 39 76.018 -0.796 9.961 1.00 0.00 H new ATOM 0 HG SER A 39 74.890 1.245 9.992 1.00 0.00 H new ATOM 577 N GLU A 40 78.831 -1.066 10.808 1.00 0.00 N ATOM 578 CA GLU A 40 79.622 -1.125 12.062 1.00 0.00 C ATOM 579 C GLU A 40 81.105 -1.012 11.732 1.00 0.00 C ATOM 580 O GLU A 40 81.861 -0.357 12.421 1.00 0.00 O ATOM 581 CB GLU A 40 79.300 -2.493 12.646 1.00 0.00 C ATOM 582 CG GLU A 40 79.121 -2.377 14.161 1.00 0.00 C ATOM 583 CD GLU A 40 80.465 -2.609 14.854 1.00 0.00 C ATOM 584 OE1 GLU A 40 81.445 -2.796 14.153 1.00 0.00 O ATOM 585 OE2 GLU A 40 80.489 -2.598 16.073 1.00 0.00 O ATOM 0 H GLU A 40 78.542 -1.971 10.438 1.00 0.00 H new ATOM 0 HA GLU A 40 79.387 -0.319 12.758 1.00 0.00 H new ATOM 0 HB2 GLU A 40 78.391 -2.888 12.192 1.00 0.00 H new ATOM 0 HB3 GLU A 40 80.102 -3.195 12.417 1.00 0.00 H new ATOM 0 HG2 GLU A 40 78.733 -1.391 14.417 1.00 0.00 H new ATOM 0 HG3 GLU A 40 78.390 -3.107 14.508 1.00 0.00 H new ATOM 592 N LEU A 41 81.519 -1.634 10.667 1.00 0.00 N ATOM 593 CA LEU A 41 82.950 -1.553 10.272 1.00 0.00 C ATOM 594 C LEU A 41 83.276 -0.117 9.877 1.00 0.00 C ATOM 595 O LEU A 41 84.369 0.368 10.094 1.00 0.00 O ATOM 596 CB LEU A 41 83.094 -2.492 9.073 1.00 0.00 C ATOM 597 CG LEU A 41 84.487 -3.122 9.082 1.00 0.00 C ATOM 598 CD1 LEU A 41 84.578 -4.144 10.217 1.00 0.00 C ATOM 599 CD2 LEU A 41 84.735 -3.824 7.746 1.00 0.00 C ATOM 0 H LEU A 41 80.929 -2.195 10.053 1.00 0.00 H new ATOM 0 HA LEU A 41 83.628 -1.836 11.077 1.00 0.00 H new ATOM 0 HB2 LEU A 41 82.331 -3.270 9.113 1.00 0.00 H new ATOM 0 HB3 LEU A 41 82.939 -1.941 8.145 1.00 0.00 H new ATOM 0 HG LEU A 41 85.237 -2.345 9.232 1.00 0.00 H new ATOM 0 HD11 LEU A 41 85.571 -4.593 10.223 1.00 0.00 H new ATOM 0 HD12 LEU A 41 84.399 -3.646 11.170 1.00 0.00 H new ATOM 0 HD13 LEU A 41 83.829 -4.922 10.067 1.00 0.00 H new ATOM 0 HD21 LEU A 41 85.728 -4.274 7.750 1.00 0.00 H new ATOM 0 HD22 LEU A 41 83.985 -4.601 7.599 1.00 0.00 H new ATOM 0 HD23 LEU A 41 84.669 -3.098 6.936 1.00 0.00 H new ATOM 611 N PHE A 42 82.325 0.575 9.315 1.00 0.00 N ATOM 612 CA PHE A 42 82.564 1.982 8.925 1.00 0.00 C ATOM 613 C PHE A 42 82.300 2.882 10.132 1.00 0.00 C ATOM 614 O PHE A 42 82.770 4.000 10.205 1.00 0.00 O ATOM 615 CB PHE A 42 81.551 2.250 7.820 1.00 0.00 C ATOM 616 CG PHE A 42 82.047 1.673 6.513 1.00 0.00 C ATOM 617 CD1 PHE A 42 83.392 1.813 6.145 1.00 0.00 C ATOM 618 CD2 PHE A 42 81.159 0.996 5.669 1.00 0.00 C ATOM 619 CE1 PHE A 42 83.845 1.276 4.935 1.00 0.00 C ATOM 620 CE2 PHE A 42 81.613 0.459 4.458 1.00 0.00 C ATOM 621 CZ PHE A 42 82.957 0.599 4.091 1.00 0.00 C ATOM 0 H PHE A 42 81.391 0.221 9.110 1.00 0.00 H new ATOM 0 HA PHE A 42 83.584 2.172 8.591 1.00 0.00 H new ATOM 0 HB2 PHE A 42 80.590 1.807 8.081 1.00 0.00 H new ATOM 0 HB3 PHE A 42 81.390 3.323 7.716 1.00 0.00 H new ATOM 0 HD1 PHE A 42 84.078 2.335 6.795 1.00 0.00 H new ATOM 0 HD2 PHE A 42 80.122 0.888 5.952 1.00 0.00 H new ATOM 0 HE1 PHE A 42 84.882 1.384 4.652 1.00 0.00 H new ATOM 0 HE2 PHE A 42 80.927 -0.063 3.807 1.00 0.00 H new ATOM 0 HZ PHE A 42 83.308 0.185 3.157 1.00 0.00 H new ATOM 631 N ALA A 43 81.554 2.391 11.086 1.00 0.00 N ATOM 632 CA ALA A 43 81.262 3.205 12.300 1.00 0.00 C ATOM 633 C ALA A 43 82.470 3.177 13.236 1.00 0.00 C ATOM 634 O ALA A 43 82.750 4.127 13.939 1.00 0.00 O ATOM 635 CB ALA A 43 80.057 2.529 12.954 1.00 0.00 C ATOM 0 H ALA A 43 81.135 1.461 11.076 1.00 0.00 H new ATOM 0 HA ALA A 43 81.057 4.250 12.066 1.00 0.00 H new ATOM 0 HB1 ALA A 43 79.781 3.072 13.858 1.00 0.00 H new ATOM 0 HB2 ALA A 43 79.217 2.530 12.259 1.00 0.00 H new ATOM 0 HB3 ALA A 43 80.312 1.501 13.212 1.00 0.00 H new ATOM 641 N LYS A 44 83.196 2.093 13.237 1.00 0.00 N ATOM 642 CA LYS A 44 84.398 1.998 14.111 1.00 0.00 C ATOM 643 C LYS A 44 85.619 2.528 13.359 1.00 0.00 C ATOM 644 O LYS A 44 86.593 2.950 13.949 1.00 0.00 O ATOM 645 CB LYS A 44 84.556 0.507 14.412 1.00 0.00 C ATOM 646 CG LYS A 44 83.955 0.196 15.786 1.00 0.00 C ATOM 647 CD LYS A 44 83.198 -1.132 15.723 1.00 0.00 C ATOM 648 CE LYS A 44 84.195 -2.292 15.787 1.00 0.00 C ATOM 649 NZ LYS A 44 83.416 -3.438 16.331 1.00 0.00 N ATOM 0 H LYS A 44 83.008 1.267 12.669 1.00 0.00 H new ATOM 0 HA LYS A 44 84.300 2.583 15.025 1.00 0.00 H new ATOM 0 HB2 LYS A 44 84.059 -0.085 13.643 1.00 0.00 H new ATOM 0 HB3 LYS A 44 85.610 0.231 14.394 1.00 0.00 H new ATOM 0 HG2 LYS A 44 84.744 0.142 16.536 1.00 0.00 H new ATOM 0 HG3 LYS A 44 83.281 0.997 16.090 1.00 0.00 H new ATOM 0 HD2 LYS A 44 82.492 -1.200 16.550 1.00 0.00 H new ATOM 0 HD3 LYS A 44 82.617 -1.188 14.802 1.00 0.00 H new ATOM 0 HE2 LYS A 44 84.598 -2.521 14.801 1.00 0.00 H new ATOM 0 HE3 LYS A 44 85.042 -2.050 16.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 83.848 -3.761 17.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 82.437 -3.138 16.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 83.418 -4.217 15.642 1.00 0.00 H new ATOM 663 N ASN A 45 85.565 2.513 12.055 1.00 0.00 N ATOM 664 CA ASN A 45 86.710 3.018 11.253 1.00 0.00 C ATOM 665 C ASN A 45 86.643 4.542 11.156 1.00 0.00 C ATOM 666 O ASN A 45 87.634 5.195 10.892 1.00 0.00 O ATOM 667 CB ASN A 45 86.532 2.378 9.877 1.00 0.00 C ATOM 668 CG ASN A 45 87.374 1.105 9.795 1.00 0.00 C ATOM 669 OD1 ASN A 45 88.283 1.014 8.993 1.00 0.00 O ATOM 670 ND2 ASN A 45 87.109 0.112 10.598 1.00 0.00 N ATOM 0 H ASN A 45 84.773 2.171 11.511 1.00 0.00 H new ATOM 0 HA ASN A 45 87.676 2.771 11.693 1.00 0.00 H new ATOM 0 HB2 ASN A 45 85.481 2.144 9.706 1.00 0.00 H new ATOM 0 HB3 ASN A 45 86.833 3.077 9.097 1.00 0.00 H new ATOM 0 HD21 ASN A 45 87.665 -0.742 10.554 1.00 0.00 H new ATOM 0 HD22 ASN A 45 86.346 0.190 11.271 1.00 0.00 H new ATOM 677 N ASP A 46 85.465 5.099 11.352 1.00 0.00 N ATOM 678 CA ASP A 46 85.257 6.583 11.271 1.00 0.00 C ATOM 679 C ASP A 46 84.879 6.948 9.848 1.00 0.00 C ATOM 680 O ASP A 46 85.169 8.022 9.360 1.00 0.00 O ATOM 681 CB ASP A 46 86.569 7.260 11.688 1.00 0.00 C ATOM 682 CG ASP A 46 86.258 8.581 12.394 1.00 0.00 C ATOM 683 OD1 ASP A 46 85.424 8.573 13.285 1.00 0.00 O ATOM 684 OD2 ASP A 46 86.860 9.579 12.033 1.00 0.00 O ATOM 0 H ASP A 46 84.620 4.571 11.570 1.00 0.00 H new ATOM 0 HA ASP A 46 84.455 6.914 11.931 1.00 0.00 H new ATOM 0 HB2 ASP A 46 87.134 6.605 12.351 1.00 0.00 H new ATOM 0 HB3 ASP A 46 87.192 7.441 10.812 1.00 0.00 H new ATOM 689 N LEU A 47 84.217 6.048 9.185 1.00 0.00 N ATOM 690 CA LEU A 47 83.789 6.310 7.792 1.00 0.00 C ATOM 691 C LEU A 47 82.555 7.216 7.807 1.00 0.00 C ATOM 692 O LEU A 47 82.478 8.162 8.566 1.00 0.00 O ATOM 693 CB LEU A 47 83.464 4.923 7.219 1.00 0.00 C ATOM 694 CG LEU A 47 84.049 4.786 5.806 1.00 0.00 C ATOM 695 CD1 LEU A 47 83.863 6.089 5.019 1.00 0.00 C ATOM 696 CD2 LEU A 47 85.542 4.468 5.907 1.00 0.00 C ATOM 0 H LEU A 47 83.953 5.134 9.553 1.00 0.00 H new ATOM 0 HA LEU A 47 84.545 6.817 7.193 1.00 0.00 H new ATOM 0 HB2 LEU A 47 83.873 4.148 7.867 1.00 0.00 H new ATOM 0 HB3 LEU A 47 82.384 4.777 7.190 1.00 0.00 H new ATOM 0 HG LEU A 47 83.528 3.982 5.286 1.00 0.00 H new ATOM 0 HD11 LEU A 47 84.283 5.974 4.020 1.00 0.00 H new ATOM 0 HD12 LEU A 47 82.800 6.319 4.941 1.00 0.00 H new ATOM 0 HD13 LEU A 47 84.373 6.902 5.536 1.00 0.00 H new ATOM 0 HD21 LEU A 47 85.962 4.370 4.906 1.00 0.00 H new ATOM 0 HD22 LEU A 47 86.051 5.274 6.436 1.00 0.00 H new ATOM 0 HD23 LEU A 47 85.679 3.533 6.451 1.00 0.00 H new ATOM 708 N ALA A 48 81.592 6.934 6.984 1.00 0.00 N ATOM 709 CA ALA A 48 80.364 7.776 6.958 1.00 0.00 C ATOM 710 C ALA A 48 79.303 7.121 6.077 1.00 0.00 C ATOM 711 O ALA A 48 78.828 7.697 5.119 1.00 0.00 O ATOM 712 CB ALA A 48 80.805 9.116 6.370 1.00 0.00 C ATOM 0 H ALA A 48 81.599 6.156 6.325 1.00 0.00 H new ATOM 0 HA ALA A 48 79.925 7.899 7.948 1.00 0.00 H new ATOM 0 HB1 ALA A 48 79.950 9.790 6.320 1.00 0.00 H new ATOM 0 HB2 ALA A 48 81.577 9.555 7.003 1.00 0.00 H new ATOM 0 HB3 ALA A 48 81.203 8.960 5.367 1.00 0.00 H new ATOM 718 N VAL A 49 78.930 5.920 6.403 1.00 0.00 N ATOM 719 CA VAL A 49 77.904 5.216 5.607 1.00 0.00 C ATOM 720 C VAL A 49 76.560 5.919 5.758 1.00 0.00 C ATOM 721 O VAL A 49 75.966 5.944 6.819 1.00 0.00 O ATOM 722 CB VAL A 49 77.845 3.814 6.195 1.00 0.00 C ATOM 723 CG1 VAL A 49 79.127 3.055 5.845 1.00 0.00 C ATOM 724 CG2 VAL A 49 77.700 3.900 7.717 1.00 0.00 C ATOM 0 H VAL A 49 79.298 5.394 7.196 1.00 0.00 H new ATOM 0 HA VAL A 49 78.139 5.199 4.543 1.00 0.00 H new ATOM 0 HB VAL A 49 76.987 3.285 5.779 1.00 0.00 H new ATOM 0 HG11 VAL A 49 79.082 2.051 6.267 1.00 0.00 H new ATOM 0 HG12 VAL A 49 79.226 2.989 4.762 1.00 0.00 H new ATOM 0 HG13 VAL A 49 79.987 3.584 6.257 1.00 0.00 H new ATOM 0 HG21 VAL A 49 77.658 2.895 8.136 1.00 0.00 H new ATOM 0 HG22 VAL A 49 78.555 4.432 8.135 1.00 0.00 H new ATOM 0 HG23 VAL A 49 76.784 4.435 7.966 1.00 0.00 H new ATOM 734 N VAL A 50 76.090 6.493 4.701 1.00 0.00 N ATOM 735 CA VAL A 50 74.786 7.213 4.749 1.00 0.00 C ATOM 736 C VAL A 50 73.641 6.263 4.385 1.00 0.00 C ATOM 737 O VAL A 50 72.508 6.467 4.771 1.00 0.00 O ATOM 738 CB VAL A 50 74.922 8.330 3.715 1.00 0.00 C ATOM 739 CG1 VAL A 50 73.628 9.142 3.657 1.00 0.00 C ATOM 740 CG2 VAL A 50 76.073 9.248 4.121 1.00 0.00 C ATOM 0 H VAL A 50 76.552 6.499 3.792 1.00 0.00 H new ATOM 0 HA VAL A 50 74.559 7.603 5.741 1.00 0.00 H new ATOM 0 HB VAL A 50 75.119 7.895 2.735 1.00 0.00 H new ATOM 0 HG11 VAL A 50 73.730 9.937 2.918 1.00 0.00 H new ATOM 0 HG12 VAL A 50 72.801 8.490 3.376 1.00 0.00 H new ATOM 0 HG13 VAL A 50 73.429 9.579 4.635 1.00 0.00 H new ATOM 0 HG21 VAL A 50 76.176 10.048 3.388 1.00 0.00 H new ATOM 0 HG22 VAL A 50 75.867 9.678 5.101 1.00 0.00 H new ATOM 0 HG23 VAL A 50 76.998 8.674 4.164 1.00 0.00 H new ATOM 750 N ASP A 51 73.928 5.221 3.652 1.00 0.00 N ATOM 751 CA ASP A 51 72.849 4.262 3.275 1.00 0.00 C ATOM 752 C ASP A 51 73.454 2.934 2.810 1.00 0.00 C ATOM 753 O ASP A 51 74.624 2.847 2.498 1.00 0.00 O ATOM 754 CB ASP A 51 72.096 4.938 2.130 1.00 0.00 C ATOM 755 CG ASP A 51 70.591 4.871 2.397 1.00 0.00 C ATOM 756 OD1 ASP A 51 70.203 5.062 3.538 1.00 0.00 O ATOM 757 OD2 ASP A 51 69.853 4.630 1.456 1.00 0.00 O ATOM 0 H ASP A 51 74.858 4.993 3.299 1.00 0.00 H new ATOM 0 HA ASP A 51 72.193 4.033 4.115 1.00 0.00 H new ATOM 0 HB2 ASP A 51 72.413 5.977 2.036 1.00 0.00 H new ATOM 0 HB3 ASP A 51 72.331 4.446 1.186 1.00 0.00 H new ATOM 762 N VAL A 52 72.661 1.898 2.760 1.00 0.00 N ATOM 763 CA VAL A 52 73.181 0.573 2.313 1.00 0.00 C ATOM 764 C VAL A 52 72.053 -0.234 1.660 1.00 0.00 C ATOM 765 O VAL A 52 70.888 -0.002 1.910 1.00 0.00 O ATOM 766 CB VAL A 52 73.681 -0.128 3.580 1.00 0.00 C ATOM 767 CG1 VAL A 52 74.693 -1.207 3.195 1.00 0.00 C ATOM 768 CG2 VAL A 52 74.358 0.888 4.507 1.00 0.00 C ATOM 0 H VAL A 52 71.672 1.912 3.010 1.00 0.00 H new ATOM 0 HA VAL A 52 73.978 0.674 1.576 1.00 0.00 H new ATOM 0 HB VAL A 52 72.834 -0.580 4.097 1.00 0.00 H new ATOM 0 HG11 VAL A 52 75.051 -1.708 4.095 1.00 0.00 H new ATOM 0 HG12 VAL A 52 74.216 -1.936 2.539 1.00 0.00 H new ATOM 0 HG13 VAL A 52 75.535 -0.748 2.676 1.00 0.00 H new ATOM 0 HG21 VAL A 52 74.711 0.382 5.406 1.00 0.00 H new ATOM 0 HG22 VAL A 52 75.203 1.344 3.992 1.00 0.00 H new ATOM 0 HG23 VAL A 52 73.642 1.662 4.784 1.00 0.00 H new ATOM 778 N ARG A 53 72.392 -1.177 0.824 1.00 0.00 N ATOM 779 CA ARG A 53 71.338 -1.995 0.156 1.00 0.00 C ATOM 780 C ARG A 53 71.910 -3.350 -0.262 1.00 0.00 C ATOM 781 O ARG A 53 73.108 -3.553 -0.278 1.00 0.00 O ATOM 782 CB ARG A 53 70.926 -1.186 -1.074 1.00 0.00 C ATOM 783 CG ARG A 53 69.494 -1.550 -1.474 1.00 0.00 C ATOM 784 CD ARG A 53 69.229 -1.082 -2.906 1.00 0.00 C ATOM 785 NE ARG A 53 69.291 -2.319 -3.732 1.00 0.00 N ATOM 786 CZ ARG A 53 68.190 -2.901 -4.121 1.00 0.00 C ATOM 787 NH1 ARG A 53 67.089 -2.736 -3.441 1.00 0.00 N ATOM 788 NH2 ARG A 53 68.191 -3.648 -5.191 1.00 0.00 N ATOM 0 H ARG A 53 73.351 -1.417 0.574 1.00 0.00 H new ATOM 0 HA ARG A 53 70.492 -2.195 0.814 1.00 0.00 H new ATOM 0 HB2 ARG A 53 70.994 -0.119 -0.859 1.00 0.00 H new ATOM 0 HB3 ARG A 53 71.608 -1.389 -1.900 1.00 0.00 H new ATOM 0 HG2 ARG A 53 69.347 -2.627 -1.399 1.00 0.00 H new ATOM 0 HG3 ARG A 53 68.785 -1.083 -0.791 1.00 0.00 H new ATOM 0 HD2 ARG A 53 68.255 -0.600 -2.990 1.00 0.00 H new ATOM 0 HD3 ARG A 53 69.974 -0.354 -3.228 1.00 0.00 H new ATOM 0 HE ARG A 53 70.195 -2.712 -3.994 1.00 0.00 H new ATOM 0 HH11 ARG A 53 67.089 -2.152 -2.605 1.00 0.00 H new ATOM 0 HH12 ARG A 53 66.228 -3.191 -3.745 1.00 0.00 H new ATOM 0 HH21 ARG A 53 69.052 -3.777 -5.722 1.00 0.00 H new ATOM 0 HH22 ARG A 53 67.331 -4.103 -5.496 1.00 0.00 H new ATOM 802 N THR A 54 71.062 -4.283 -0.593 1.00 0.00 N ATOM 803 CA THR A 54 71.546 -5.623 -1.001 1.00 0.00 C ATOM 804 C THR A 54 71.852 -5.656 -2.501 1.00 0.00 C ATOM 805 O THR A 54 71.400 -4.821 -3.259 1.00 0.00 O ATOM 806 CB THR A 54 70.388 -6.554 -0.665 1.00 0.00 C ATOM 807 OG1 THR A 54 69.324 -6.334 -1.581 1.00 0.00 O ATOM 808 CG2 THR A 54 69.903 -6.278 0.759 1.00 0.00 C ATOM 0 H THR A 54 70.048 -4.170 -0.597 1.00 0.00 H new ATOM 0 HA THR A 54 72.470 -5.906 -0.497 1.00 0.00 H new ATOM 0 HB THR A 54 70.722 -7.589 -0.737 1.00 0.00 H new ATOM 0 HG1 THR A 54 68.579 -6.934 -1.367 1.00 0.00 H new ATOM 0 HG21 THR A 54 69.075 -6.945 0.997 1.00 0.00 H new ATOM 0 HG22 THR A 54 70.719 -6.448 1.461 1.00 0.00 H new ATOM 0 HG23 THR A 54 69.569 -5.243 0.835 1.00 0.00 H new ATOM 816 N GLY A 55 72.625 -6.617 -2.926 1.00 0.00 N ATOM 817 CA GLY A 55 72.979 -6.719 -4.369 1.00 0.00 C ATOM 818 C GLY A 55 72.898 -8.181 -4.815 1.00 0.00 C ATOM 819 O GLY A 55 73.495 -9.056 -4.218 1.00 0.00 O ATOM 0 H GLY A 55 73.029 -7.341 -2.331 1.00 0.00 H new ATOM 0 HA2 GLY A 55 72.300 -6.108 -4.964 1.00 0.00 H new ATOM 0 HA3 GLY A 55 73.985 -6.333 -4.535 1.00 0.00 H new ATOM 823 N THR A 56 72.170 -8.453 -5.861 1.00 0.00 N ATOM 824 CA THR A 56 72.056 -9.858 -6.352 1.00 0.00 C ATOM 825 C THR A 56 71.702 -10.807 -5.202 1.00 0.00 C ATOM 826 O THR A 56 72.550 -11.210 -4.431 1.00 0.00 O ATOM 827 CB THR A 56 73.439 -10.192 -6.913 1.00 0.00 C ATOM 828 OG1 THR A 56 73.907 -9.101 -7.694 1.00 0.00 O ATOM 829 CG2 THR A 56 73.347 -11.445 -7.786 1.00 0.00 C ATOM 0 H THR A 56 71.647 -7.763 -6.400 1.00 0.00 H new ATOM 0 HA THR A 56 71.270 -9.967 -7.099 1.00 0.00 H new ATOM 0 HB THR A 56 74.132 -10.374 -6.091 1.00 0.00 H new ATOM 0 HG1 THR A 56 74.794 -9.312 -8.053 1.00 0.00 H new ATOM 0 HG21 THR A 56 74.333 -11.683 -8.186 1.00 0.00 H new ATOM 0 HG22 THR A 56 72.987 -12.281 -7.186 1.00 0.00 H new ATOM 0 HG23 THR A 56 72.655 -11.265 -8.609 1.00 0.00 H new ATOM 837 N ASN A 57 70.453 -11.173 -5.092 1.00 0.00 N ATOM 838 CA ASN A 57 70.029 -12.104 -4.005 1.00 0.00 C ATOM 839 C ASN A 57 70.753 -11.782 -2.691 1.00 0.00 C ATOM 840 O ASN A 57 70.361 -10.893 -1.961 1.00 0.00 O ATOM 841 CB ASN A 57 70.409 -13.497 -4.510 1.00 0.00 C ATOM 842 CG ASN A 57 69.434 -13.925 -5.608 1.00 0.00 C ATOM 843 OD1 ASN A 57 69.428 -13.284 -6.745 1.00 0.00 O flip ATOM 844 ND2 ASN A 57 68.669 -14.852 -5.430 1.00 0.00 N flip ATOM 0 H ASN A 57 69.704 -10.865 -5.712 1.00 0.00 H new ATOM 0 HA ASN A 57 68.963 -12.022 -3.791 1.00 0.00 H new ATOM 0 HB2 ASN A 57 71.428 -13.490 -4.896 1.00 0.00 H new ATOM 0 HB3 ASN A 57 70.385 -14.213 -3.688 1.00 0.00 H new ATOM 0 HD21 ASN A 57 68.673 -15.353 -4.542 1.00 0.00 H new ATOM 0 HD22 ASN A 57 68.023 -15.129 -6.169 1.00 0.00 H new ATOM 851 N ARG A 58 71.802 -12.499 -2.377 1.00 0.00 N ATOM 852 CA ARG A 58 72.533 -12.228 -1.104 1.00 0.00 C ATOM 853 C ARG A 58 74.044 -12.364 -1.310 1.00 0.00 C ATOM 854 O ARG A 58 74.772 -12.725 -0.407 1.00 0.00 O ATOM 855 CB ARG A 58 72.028 -13.290 -0.126 1.00 0.00 C ATOM 856 CG ARG A 58 72.302 -14.684 -0.696 1.00 0.00 C ATOM 857 CD ARG A 58 71.173 -15.634 -0.291 1.00 0.00 C ATOM 858 NE ARG A 58 70.452 -15.936 -1.558 1.00 0.00 N ATOM 859 CZ ARG A 58 69.446 -16.766 -1.555 1.00 0.00 C ATOM 860 NH1 ARG A 58 69.629 -18.011 -1.207 1.00 0.00 N ATOM 861 NH2 ARG A 58 68.257 -16.354 -1.900 1.00 0.00 N ATOM 0 H ARG A 58 72.182 -13.257 -2.945 1.00 0.00 H new ATOM 0 HA ARG A 58 72.358 -11.216 -0.739 1.00 0.00 H new ATOM 0 HB2 ARG A 58 72.524 -13.176 0.838 1.00 0.00 H new ATOM 0 HB3 ARG A 58 70.960 -13.160 0.048 1.00 0.00 H new ATOM 0 HG2 ARG A 58 72.378 -14.635 -1.782 1.00 0.00 H new ATOM 0 HG3 ARG A 58 73.256 -15.058 -0.326 1.00 0.00 H new ATOM 0 HD2 ARG A 58 71.566 -16.542 0.166 1.00 0.00 H new ATOM 0 HD3 ARG A 58 70.510 -15.171 0.440 1.00 0.00 H new ATOM 0 HE ARG A 58 70.745 -15.493 -2.429 1.00 0.00 H new ATOM 0 HH11 ARG A 58 70.558 -18.334 -0.938 1.00 0.00 H new ATOM 0 HH12 ARG A 58 68.843 -18.661 -1.204 1.00 0.00 H new ATOM 0 HH21 ARG A 58 68.113 -15.382 -2.173 1.00 0.00 H new ATOM 0 HH22 ARG A 58 67.471 -17.004 -1.897 1.00 0.00 H new ATOM 875 N LYS A 59 74.522 -12.075 -2.488 1.00 0.00 N ATOM 876 CA LYS A 59 75.987 -12.185 -2.742 1.00 0.00 C ATOM 877 C LYS A 59 76.544 -10.831 -3.187 1.00 0.00 C ATOM 878 O LYS A 59 77.646 -10.735 -3.690 1.00 0.00 O ATOM 879 CB LYS A 59 76.121 -13.218 -3.863 1.00 0.00 C ATOM 880 CG LYS A 59 76.449 -14.585 -3.261 1.00 0.00 C ATOM 881 CD LYS A 59 76.743 -15.581 -4.385 1.00 0.00 C ATOM 882 CE LYS A 59 75.661 -16.663 -4.405 1.00 0.00 C ATOM 883 NZ LYS A 59 75.072 -16.592 -5.771 1.00 0.00 N ATOM 0 H LYS A 59 73.964 -11.768 -3.285 1.00 0.00 H new ATOM 0 HA LYS A 59 76.541 -12.481 -1.851 1.00 0.00 H new ATOM 0 HB2 LYS A 59 75.194 -13.273 -4.434 1.00 0.00 H new ATOM 0 HB3 LYS A 59 76.905 -12.917 -4.557 1.00 0.00 H new ATOM 0 HG2 LYS A 59 77.310 -14.505 -2.597 1.00 0.00 H new ATOM 0 HG3 LYS A 59 75.613 -14.938 -2.657 1.00 0.00 H new ATOM 0 HD2 LYS A 59 76.773 -15.064 -5.344 1.00 0.00 H new ATOM 0 HD3 LYS A 59 77.723 -16.035 -4.236 1.00 0.00 H new ATOM 0 HE2 LYS A 59 76.084 -17.648 -4.208 1.00 0.00 H new ATOM 0 HE3 LYS A 59 74.906 -16.481 -3.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 74.321 -17.305 -5.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 74.671 -15.645 -5.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 75.812 -16.776 -6.478 1.00 0.00 H new ATOM 897 N PHE A 60 75.787 -9.786 -3.005 1.00 0.00 N ATOM 898 CA PHE A 60 76.258 -8.434 -3.415 1.00 0.00 C ATOM 899 C PHE A 60 75.517 -7.363 -2.609 1.00 0.00 C ATOM 900 O PHE A 60 74.665 -7.669 -1.798 1.00 0.00 O ATOM 901 CB PHE A 60 75.916 -8.339 -4.901 1.00 0.00 C ATOM 902 CG PHE A 60 77.114 -7.862 -5.674 1.00 0.00 C ATOM 903 CD1 PHE A 60 78.100 -8.768 -6.072 1.00 0.00 C ATOM 904 CD2 PHE A 60 77.232 -6.508 -5.998 1.00 0.00 C ATOM 905 CE1 PHE A 60 79.207 -8.318 -6.796 1.00 0.00 C ATOM 906 CE2 PHE A 60 78.338 -6.055 -6.719 1.00 0.00 C ATOM 907 CZ PHE A 60 79.329 -6.960 -7.120 1.00 0.00 C ATOM 0 H PHE A 60 74.857 -9.810 -2.587 1.00 0.00 H new ATOM 0 HA PHE A 60 77.323 -8.282 -3.237 1.00 0.00 H new ATOM 0 HB2 PHE A 60 75.597 -9.313 -5.272 1.00 0.00 H new ATOM 0 HB3 PHE A 60 75.081 -7.653 -5.048 1.00 0.00 H new ATOM 0 HD1 PHE A 60 78.007 -9.814 -5.821 1.00 0.00 H new ATOM 0 HD2 PHE A 60 76.467 -5.811 -5.690 1.00 0.00 H new ATOM 0 HE1 PHE A 60 79.969 -9.017 -7.106 1.00 0.00 H new ATOM 0 HE2 PHE A 60 78.430 -5.008 -6.967 1.00 0.00 H new ATOM 0 HZ PHE A 60 80.186 -6.612 -7.678 1.00 0.00 H new ATOM 917 N GLY A 61 75.828 -6.114 -2.819 1.00 0.00 N ATOM 918 CA GLY A 61 75.130 -5.042 -2.052 1.00 0.00 C ATOM 919 C GLY A 61 75.625 -3.658 -2.482 1.00 0.00 C ATOM 920 O GLY A 61 76.755 -3.484 -2.892 1.00 0.00 O ATOM 0 H GLY A 61 76.530 -5.790 -3.484 1.00 0.00 H new ATOM 0 HA2 GLY A 61 74.054 -5.115 -2.212 1.00 0.00 H new ATOM 0 HA3 GLY A 61 75.303 -5.180 -0.985 1.00 0.00 H new ATOM 924 N TYR A 62 74.776 -2.669 -2.375 1.00 0.00 N ATOM 925 CA TYR A 62 75.168 -1.277 -2.754 1.00 0.00 C ATOM 926 C TYR A 62 75.186 -0.410 -1.505 1.00 0.00 C ATOM 927 O TYR A 62 74.589 -0.745 -0.504 1.00 0.00 O ATOM 928 CB TYR A 62 74.084 -0.814 -3.731 1.00 0.00 C ATOM 929 CG TYR A 62 74.535 0.439 -4.443 1.00 0.00 C ATOM 930 CD1 TYR A 62 74.604 1.653 -3.749 1.00 0.00 C ATOM 931 CD2 TYR A 62 74.879 0.388 -5.799 1.00 0.00 C ATOM 932 CE1 TYR A 62 75.018 2.814 -4.410 1.00 0.00 C ATOM 933 CE2 TYR A 62 75.293 1.550 -6.461 1.00 0.00 C ATOM 934 CZ TYR A 62 75.363 2.764 -5.766 1.00 0.00 C ATOM 935 OH TYR A 62 75.770 3.908 -6.419 1.00 0.00 O ATOM 0 H TYR A 62 73.818 -2.767 -2.038 1.00 0.00 H new ATOM 0 HA TYR A 62 76.158 -1.217 -3.205 1.00 0.00 H new ATOM 0 HB2 TYR A 62 73.876 -1.600 -4.457 1.00 0.00 H new ATOM 0 HB3 TYR A 62 73.155 -0.623 -3.193 1.00 0.00 H new ATOM 0 HD1 TYR A 62 74.338 1.693 -2.703 1.00 0.00 H new ATOM 0 HD2 TYR A 62 74.825 -0.548 -6.335 1.00 0.00 H new ATOM 0 HE1 TYR A 62 75.072 3.750 -3.874 1.00 0.00 H new ATOM 0 HE2 TYR A 62 75.558 1.510 -7.507 1.00 0.00 H new ATOM 0 HH TYR A 62 75.263 4.007 -7.252 1.00 0.00 H new ATOM 945 N VAL A 63 75.890 0.685 -1.530 1.00 0.00 N ATOM 946 CA VAL A 63 75.948 1.520 -0.305 1.00 0.00 C ATOM 947 C VAL A 63 76.158 3.000 -0.633 1.00 0.00 C ATOM 948 O VAL A 63 76.872 3.356 -1.549 1.00 0.00 O ATOM 949 CB VAL A 63 77.152 0.980 0.467 1.00 0.00 C ATOM 950 CG1 VAL A 63 77.075 1.454 1.910 1.00 0.00 C ATOM 951 CG2 VAL A 63 77.156 -0.551 0.446 1.00 0.00 C ATOM 0 H VAL A 63 76.418 1.032 -2.331 1.00 0.00 H new ATOM 0 HA VAL A 63 75.016 1.466 0.258 1.00 0.00 H new ATOM 0 HB VAL A 63 78.065 1.346 -0.003 1.00 0.00 H new ATOM 0 HG11 VAL A 63 77.932 1.071 2.465 1.00 0.00 H new ATOM 0 HG12 VAL A 63 77.083 2.544 1.936 1.00 0.00 H new ATOM 0 HG13 VAL A 63 76.155 1.087 2.365 1.00 0.00 H new ATOM 0 HG21 VAL A 63 78.019 -0.920 1.000 1.00 0.00 H new ATOM 0 HG22 VAL A 63 76.242 -0.924 0.908 1.00 0.00 H new ATOM 0 HG23 VAL A 63 77.210 -0.901 -0.585 1.00 0.00 H new ATOM 961 N ASP A 64 75.552 3.861 0.139 1.00 0.00 N ATOM 962 CA ASP A 64 75.719 5.325 -0.077 1.00 0.00 C ATOM 963 C ASP A 64 76.692 5.868 0.970 1.00 0.00 C ATOM 964 O ASP A 64 76.748 5.382 2.083 1.00 0.00 O ATOM 965 CB ASP A 64 74.325 5.916 0.121 1.00 0.00 C ATOM 966 CG ASP A 64 73.326 5.176 -0.769 1.00 0.00 C ATOM 967 OD1 ASP A 64 73.236 3.966 -0.646 1.00 0.00 O ATOM 968 OD2 ASP A 64 72.667 5.832 -1.560 1.00 0.00 O ATOM 0 H ASP A 64 74.943 3.609 0.917 1.00 0.00 H new ATOM 0 HA ASP A 64 76.118 5.572 -1.061 1.00 0.00 H new ATOM 0 HB2 ASP A 64 74.028 5.832 1.166 1.00 0.00 H new ATOM 0 HB3 ASP A 64 74.330 6.978 -0.125 1.00 0.00 H new ATOM 973 N PHE A 65 77.474 6.853 0.629 1.00 0.00 N ATOM 974 CA PHE A 65 78.451 7.390 1.614 1.00 0.00 C ATOM 975 C PHE A 65 78.084 8.812 2.036 1.00 0.00 C ATOM 976 O PHE A 65 77.031 9.318 1.703 1.00 0.00 O ATOM 977 CB PHE A 65 79.783 7.377 0.877 1.00 0.00 C ATOM 978 CG PHE A 65 80.426 6.018 1.030 1.00 0.00 C ATOM 979 CD1 PHE A 65 80.425 5.376 2.276 1.00 0.00 C ATOM 980 CD2 PHE A 65 81.014 5.394 -0.077 1.00 0.00 C ATOM 981 CE1 PHE A 65 81.010 4.114 2.414 1.00 0.00 C ATOM 982 CE2 PHE A 65 81.602 4.131 0.063 1.00 0.00 C ATOM 983 CZ PHE A 65 81.598 3.492 1.308 1.00 0.00 C ATOM 0 H PHE A 65 77.479 7.307 -0.284 1.00 0.00 H new ATOM 0 HA PHE A 65 78.474 6.799 2.530 1.00 0.00 H new ATOM 0 HB2 PHE A 65 79.630 7.603 -0.178 1.00 0.00 H new ATOM 0 HB3 PHE A 65 80.440 8.150 1.276 1.00 0.00 H new ATOM 0 HD1 PHE A 65 79.972 5.857 3.130 1.00 0.00 H new ATOM 0 HD2 PHE A 65 81.014 5.887 -1.038 1.00 0.00 H new ATOM 0 HE1 PHE A 65 81.008 3.620 3.374 1.00 0.00 H new ATOM 0 HE2 PHE A 65 82.058 3.650 -0.790 1.00 0.00 H new ATOM 0 HZ PHE A 65 82.050 2.517 1.415 1.00 0.00 H new ATOM 993 N GLU A 66 78.945 9.457 2.778 1.00 0.00 N ATOM 994 CA GLU A 66 78.640 10.842 3.233 1.00 0.00 C ATOM 995 C GLU A 66 79.621 11.843 2.630 1.00 0.00 C ATOM 996 O GLU A 66 79.465 13.040 2.767 1.00 0.00 O ATOM 997 CB GLU A 66 78.778 10.804 4.754 1.00 0.00 C ATOM 998 CG GLU A 66 77.486 11.307 5.400 1.00 0.00 C ATOM 999 CD GLU A 66 77.747 12.646 6.092 1.00 0.00 C ATOM 1000 OE1 GLU A 66 78.740 13.276 5.765 1.00 0.00 O ATOM 1001 OE2 GLU A 66 76.950 13.020 6.936 1.00 0.00 O ATOM 0 H GLU A 66 79.843 9.085 3.087 1.00 0.00 H new ATOM 0 HA GLU A 66 77.645 11.159 2.920 1.00 0.00 H new ATOM 0 HB2 GLU A 66 78.990 9.787 5.085 1.00 0.00 H new ATOM 0 HB3 GLU A 66 79.618 11.423 5.068 1.00 0.00 H new ATOM 0 HG2 GLU A 66 76.710 11.422 4.643 1.00 0.00 H new ATOM 0 HG3 GLU A 66 77.121 10.577 6.123 1.00 0.00 H new ATOM 1008 N SER A 67 80.623 11.367 1.959 1.00 0.00 N ATOM 1009 CA SER A 67 81.606 12.313 1.342 1.00 0.00 C ATOM 1010 C SER A 67 82.663 11.597 0.516 1.00 0.00 C ATOM 1011 O SER A 67 82.756 10.384 0.480 1.00 0.00 O ATOM 1012 CB SER A 67 82.285 13.030 2.505 1.00 0.00 C ATOM 1013 OG SER A 67 82.761 12.074 3.441 1.00 0.00 O ATOM 0 H SER A 67 80.811 10.376 1.807 1.00 0.00 H new ATOM 0 HA SER A 67 81.087 12.992 0.665 1.00 0.00 H new ATOM 0 HB2 SER A 67 83.112 13.638 2.138 1.00 0.00 H new ATOM 0 HB3 SER A 67 81.581 13.708 2.988 1.00 0.00 H new ATOM 0 HG SER A 67 82.064 11.892 4.106 1.00 0.00 H new ATOM 1019 N ALA A 68 83.489 12.376 -0.115 1.00 0.00 N ATOM 1020 CA ALA A 68 84.596 11.818 -0.925 1.00 0.00 C ATOM 1021 C ALA A 68 85.672 11.358 0.032 1.00 0.00 C ATOM 1022 O ALA A 68 86.460 10.475 -0.248 1.00 0.00 O ATOM 1023 CB ALA A 68 85.103 13.001 -1.738 1.00 0.00 C ATOM 0 H ALA A 68 83.441 13.395 -0.102 1.00 0.00 H new ATOM 0 HA ALA A 68 84.304 10.982 -1.561 1.00 0.00 H new ATOM 0 HB1 ALA A 68 85.929 12.679 -2.372 1.00 0.00 H new ATOM 0 HB2 ALA A 68 84.296 13.387 -2.361 1.00 0.00 H new ATOM 0 HB3 ALA A 68 85.447 13.785 -1.064 1.00 0.00 H new ATOM 1029 N GLU A 69 85.689 11.969 1.175 1.00 0.00 N ATOM 1030 CA GLU A 69 86.683 11.615 2.204 1.00 0.00 C ATOM 1031 C GLU A 69 86.271 10.300 2.860 1.00 0.00 C ATOM 1032 O GLU A 69 87.095 9.508 3.280 1.00 0.00 O ATOM 1033 CB GLU A 69 86.611 12.780 3.181 1.00 0.00 C ATOM 1034 CG GLU A 69 88.025 13.213 3.557 1.00 0.00 C ATOM 1035 CD GLU A 69 88.246 13.003 5.055 1.00 0.00 C ATOM 1036 OE1 GLU A 69 87.272 13.041 5.789 1.00 0.00 O ATOM 1037 OE2 GLU A 69 89.385 12.808 5.444 1.00 0.00 O ATOM 0 H GLU A 69 85.043 12.712 1.441 1.00 0.00 H new ATOM 0 HA GLU A 69 87.694 11.468 1.823 1.00 0.00 H new ATOM 0 HB2 GLU A 69 86.071 13.613 2.732 1.00 0.00 H new ATOM 0 HB3 GLU A 69 86.059 12.487 4.074 1.00 0.00 H new ATOM 0 HG2 GLU A 69 88.755 12.638 2.988 1.00 0.00 H new ATOM 0 HG3 GLU A 69 88.175 14.262 3.301 1.00 0.00 H new ATOM 1044 N ASP A 70 84.992 10.041 2.905 1.00 0.00 N ATOM 1045 CA ASP A 70 84.514 8.767 3.483 1.00 0.00 C ATOM 1046 C ASP A 70 84.769 7.689 2.441 1.00 0.00 C ATOM 1047 O ASP A 70 84.999 6.537 2.747 1.00 0.00 O ATOM 1048 CB ASP A 70 83.012 9.006 3.747 1.00 0.00 C ATOM 1049 CG ASP A 70 82.127 8.093 2.890 1.00 0.00 C ATOM 1050 OD1 ASP A 70 82.389 7.984 1.703 1.00 0.00 O ATOM 1051 OD2 ASP A 70 81.193 7.531 3.434 1.00 0.00 O ATOM 0 H ASP A 70 84.260 10.664 2.563 1.00 0.00 H new ATOM 0 HA ASP A 70 85.005 8.454 4.404 1.00 0.00 H new ATOM 0 HB2 ASP A 70 82.797 8.834 4.802 1.00 0.00 H new ATOM 0 HB3 ASP A 70 82.768 10.048 3.538 1.00 0.00 H new ATOM 1056 N LEU A 71 84.733 8.082 1.197 1.00 0.00 N ATOM 1057 CA LEU A 71 84.976 7.116 0.106 1.00 0.00 C ATOM 1058 C LEU A 71 86.458 6.739 0.088 1.00 0.00 C ATOM 1059 O LEU A 71 86.820 5.601 -0.131 1.00 0.00 O ATOM 1060 CB LEU A 71 84.578 7.853 -1.174 1.00 0.00 C ATOM 1061 CG LEU A 71 85.229 7.181 -2.384 1.00 0.00 C ATOM 1062 CD1 LEU A 71 84.191 7.008 -3.494 1.00 0.00 C ATOM 1063 CD2 LEU A 71 86.378 8.053 -2.893 1.00 0.00 C ATOM 0 H LEU A 71 84.544 9.038 0.895 1.00 0.00 H new ATOM 0 HA LEU A 71 84.410 6.192 0.220 1.00 0.00 H new ATOM 0 HB2 LEU A 71 83.494 7.849 -1.284 1.00 0.00 H new ATOM 0 HB3 LEU A 71 84.889 8.896 -1.115 1.00 0.00 H new ATOM 0 HG LEU A 71 85.614 6.204 -2.092 1.00 0.00 H new ATOM 0 HD11 LEU A 71 84.656 6.529 -4.356 1.00 0.00 H new ATOM 0 HD12 LEU A 71 83.371 6.387 -3.132 1.00 0.00 H new ATOM 0 HD13 LEU A 71 83.805 7.984 -3.786 1.00 0.00 H new ATOM 0 HD21 LEU A 71 86.843 7.575 -3.755 1.00 0.00 H new ATOM 0 HD22 LEU A 71 85.992 9.030 -3.184 1.00 0.00 H new ATOM 0 HD23 LEU A 71 87.119 8.176 -2.103 1.00 0.00 H new ATOM 1075 N GLU A 72 87.316 7.694 0.329 1.00 0.00 N ATOM 1076 CA GLU A 72 88.775 7.398 0.341 1.00 0.00 C ATOM 1077 C GLU A 72 89.099 6.471 1.514 1.00 0.00 C ATOM 1078 O GLU A 72 89.902 5.560 1.400 1.00 0.00 O ATOM 1079 CB GLU A 72 89.457 8.755 0.522 1.00 0.00 C ATOM 1080 CG GLU A 72 90.940 8.634 0.166 1.00 0.00 C ATOM 1081 CD GLU A 72 91.781 8.720 1.440 1.00 0.00 C ATOM 1082 OE1 GLU A 72 91.516 9.600 2.242 1.00 0.00 O ATOM 1083 OE2 GLU A 72 92.676 7.905 1.592 1.00 0.00 O ATOM 0 H GLU A 72 87.068 8.665 0.518 1.00 0.00 H new ATOM 0 HA GLU A 72 89.109 6.900 -0.569 1.00 0.00 H new ATOM 0 HB2 GLU A 72 88.980 9.501 -0.113 1.00 0.00 H new ATOM 0 HB3 GLU A 72 89.346 9.095 1.552 1.00 0.00 H new ATOM 0 HG2 GLU A 72 91.127 7.688 -0.342 1.00 0.00 H new ATOM 0 HG3 GLU A 72 91.225 9.428 -0.524 1.00 0.00 H new ATOM 1090 N LYS A 73 88.457 6.671 2.635 1.00 0.00 N ATOM 1091 CA LYS A 73 88.711 5.782 3.792 1.00 0.00 C ATOM 1092 C LYS A 73 87.887 4.526 3.592 1.00 0.00 C ATOM 1093 O LYS A 73 88.262 3.441 3.994 1.00 0.00 O ATOM 1094 CB LYS A 73 88.232 6.563 5.017 1.00 0.00 C ATOM 1095 CG LYS A 73 89.370 7.442 5.539 1.00 0.00 C ATOM 1096 CD LYS A 73 89.058 7.885 6.970 1.00 0.00 C ATOM 1097 CE LYS A 73 89.119 9.411 7.056 1.00 0.00 C ATOM 1098 NZ LYS A 73 87.774 9.875 6.616 1.00 0.00 N ATOM 0 H LYS A 73 87.772 7.410 2.793 1.00 0.00 H new ATOM 0 HA LYS A 73 89.756 5.495 3.906 1.00 0.00 H new ATOM 0 HB2 LYS A 73 87.373 7.180 4.755 1.00 0.00 H new ATOM 0 HB3 LYS A 73 87.904 5.874 5.795 1.00 0.00 H new ATOM 0 HG2 LYS A 73 90.310 6.891 5.515 1.00 0.00 H new ATOM 0 HG3 LYS A 73 89.495 8.313 4.896 1.00 0.00 H new ATOM 0 HD2 LYS A 73 88.069 7.533 7.264 1.00 0.00 H new ATOM 0 HD3 LYS A 73 89.773 7.442 7.663 1.00 0.00 H new ATOM 0 HE2 LYS A 73 89.338 9.741 8.072 1.00 0.00 H new ATOM 0 HE3 LYS A 73 89.904 9.812 6.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 87.738 10.914 6.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 87.596 9.552 5.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 87.048 9.484 7.249 1.00 0.00 H new ATOM 1112 N ALA A 74 86.768 4.668 2.941 1.00 0.00 N ATOM 1113 CA ALA A 74 85.919 3.488 2.684 1.00 0.00 C ATOM 1114 C ALA A 74 86.550 2.650 1.574 1.00 0.00 C ATOM 1115 O ALA A 74 86.356 1.453 1.495 1.00 0.00 O ATOM 1116 CB ALA A 74 84.565 4.041 2.251 1.00 0.00 C ATOM 0 H ALA A 74 86.410 5.552 2.579 1.00 0.00 H new ATOM 0 HA ALA A 74 85.814 2.847 3.559 1.00 0.00 H new ATOM 0 HB1 ALA A 74 83.884 3.215 2.044 1.00 0.00 H new ATOM 0 HB2 ALA A 74 84.153 4.660 3.048 1.00 0.00 H new ATOM 0 HB3 ALA A 74 84.689 4.644 1.351 1.00 0.00 H new ATOM 1122 N LEU A 75 87.334 3.271 0.731 1.00 0.00 N ATOM 1123 CA LEU A 75 88.008 2.513 -0.354 1.00 0.00 C ATOM 1124 C LEU A 75 89.125 1.691 0.273 1.00 0.00 C ATOM 1125 O LEU A 75 89.261 0.509 0.022 1.00 0.00 O ATOM 1126 CB LEU A 75 88.576 3.573 -1.300 1.00 0.00 C ATOM 1127 CG LEU A 75 88.946 2.922 -2.633 1.00 0.00 C ATOM 1128 CD1 LEU A 75 89.162 4.007 -3.690 1.00 0.00 C ATOM 1129 CD2 LEU A 75 90.235 2.113 -2.464 1.00 0.00 C ATOM 0 H LEU A 75 87.534 4.271 0.751 1.00 0.00 H new ATOM 0 HA LEU A 75 87.343 1.836 -0.889 1.00 0.00 H new ATOM 0 HB2 LEU A 75 87.842 4.363 -1.460 1.00 0.00 H new ATOM 0 HB3 LEU A 75 89.455 4.040 -0.855 1.00 0.00 H new ATOM 0 HG LEU A 75 88.139 2.261 -2.950 1.00 0.00 H new ATOM 0 HD11 LEU A 75 89.426 3.542 -4.640 1.00 0.00 H new ATOM 0 HD12 LEU A 75 88.246 4.585 -3.811 1.00 0.00 H new ATOM 0 HD13 LEU A 75 89.969 4.668 -3.373 1.00 0.00 H new ATOM 0 HD21 LEU A 75 90.500 1.648 -3.414 1.00 0.00 H new ATOM 0 HD22 LEU A 75 91.041 2.775 -2.146 1.00 0.00 H new ATOM 0 HD23 LEU A 75 90.083 1.339 -1.711 1.00 0.00 H new ATOM 1141 N GLU A 76 89.907 2.304 1.120 1.00 0.00 N ATOM 1142 CA GLU A 76 90.991 1.550 1.797 1.00 0.00 C ATOM 1143 C GLU A 76 90.368 0.600 2.821 1.00 0.00 C ATOM 1144 O GLU A 76 91.002 -0.313 3.312 1.00 0.00 O ATOM 1145 CB GLU A 76 91.843 2.608 2.495 1.00 0.00 C ATOM 1146 CG GLU A 76 93.244 2.628 1.879 1.00 0.00 C ATOM 1147 CD GLU A 76 93.816 4.044 1.955 1.00 0.00 C ATOM 1148 OE1 GLU A 76 93.083 4.974 1.660 1.00 0.00 O ATOM 1149 OE2 GLU A 76 94.976 4.175 2.309 1.00 0.00 O ATOM 0 H GLU A 76 89.840 3.291 1.369 1.00 0.00 H new ATOM 0 HA GLU A 76 91.588 0.953 1.107 1.00 0.00 H new ATOM 0 HB2 GLU A 76 91.377 3.588 2.395 1.00 0.00 H new ATOM 0 HB3 GLU A 76 91.907 2.392 3.562 1.00 0.00 H new ATOM 0 HG2 GLU A 76 93.895 1.933 2.409 1.00 0.00 H new ATOM 0 HG3 GLU A 76 93.201 2.297 0.841 1.00 0.00 H new ATOM 1156 N LEU A 77 89.116 0.814 3.138 1.00 0.00 N ATOM 1157 CA LEU A 77 88.420 -0.063 4.122 1.00 0.00 C ATOM 1158 C LEU A 77 88.149 -1.440 3.507 1.00 0.00 C ATOM 1159 O LEU A 77 87.585 -2.310 4.140 1.00 0.00 O ATOM 1160 CB LEU A 77 87.099 0.654 4.413 1.00 0.00 C ATOM 1161 CG LEU A 77 87.008 1.006 5.899 1.00 0.00 C ATOM 1162 CD1 LEU A 77 87.416 -0.203 6.739 1.00 0.00 C ATOM 1163 CD2 LEU A 77 87.940 2.182 6.201 1.00 0.00 C ATOM 0 H LEU A 77 88.544 1.565 2.753 1.00 0.00 H new ATOM 0 HA LEU A 77 89.012 -0.226 5.023 1.00 0.00 H new ATOM 0 HB2 LEU A 77 87.028 1.560 3.812 1.00 0.00 H new ATOM 0 HB3 LEU A 77 86.261 0.017 4.130 1.00 0.00 H new ATOM 0 HG LEU A 77 85.983 1.283 6.145 1.00 0.00 H new ATOM 0 HD11 LEU A 77 87.350 0.050 7.797 1.00 0.00 H new ATOM 0 HD12 LEU A 77 86.749 -1.038 6.524 1.00 0.00 H new ATOM 0 HD13 LEU A 77 88.440 -0.486 6.496 1.00 0.00 H new ATOM 0 HD21 LEU A 77 87.876 2.434 7.260 1.00 0.00 H new ATOM 0 HD22 LEU A 77 88.965 1.906 5.955 1.00 0.00 H new ATOM 0 HD23 LEU A 77 87.643 3.044 5.604 1.00 0.00 H new ATOM 1175 N THR A 78 88.537 -1.643 2.275 1.00 0.00 N ATOM 1176 CA THR A 78 88.289 -2.962 1.626 1.00 0.00 C ATOM 1177 C THR A 78 89.281 -4.009 2.127 1.00 0.00 C ATOM 1178 O THR A 78 89.297 -5.135 1.674 1.00 0.00 O ATOM 1179 CB THR A 78 88.476 -2.713 0.131 1.00 0.00 C ATOM 1180 OG1 THR A 78 87.694 -1.594 -0.262 1.00 0.00 O ATOM 1181 CG2 THR A 78 88.035 -3.949 -0.654 1.00 0.00 C ATOM 0 H THR A 78 89.013 -0.954 1.693 1.00 0.00 H new ATOM 0 HA THR A 78 87.295 -3.346 1.854 1.00 0.00 H new ATOM 0 HB THR A 78 89.527 -2.512 -0.076 1.00 0.00 H new ATOM 0 HG1 THR A 78 88.221 -0.774 -0.160 1.00 0.00 H new ATOM 0 HG21 THR A 78 88.169 -3.770 -1.721 1.00 0.00 H new ATOM 0 HG22 THR A 78 88.637 -4.806 -0.352 1.00 0.00 H new ATOM 0 HG23 THR A 78 86.984 -4.154 -0.450 1.00 0.00 H new ATOM 1189 N GLY A 79 90.097 -3.647 3.065 1.00 0.00 N ATOM 1190 CA GLY A 79 91.083 -4.620 3.615 1.00 0.00 C ATOM 1191 C GLY A 79 90.393 -5.497 4.663 1.00 0.00 C ATOM 1192 O GLY A 79 90.950 -6.462 5.146 1.00 0.00 O ATOM 0 H GLY A 79 90.129 -2.716 3.481 1.00 0.00 H new ATOM 0 HA2 GLY A 79 91.487 -5.239 2.814 1.00 0.00 H new ATOM 0 HA3 GLY A 79 91.924 -4.090 4.063 1.00 0.00 H new ATOM 1196 N LEU A 80 89.183 -5.159 5.021 1.00 0.00 N ATOM 1197 CA LEU A 80 88.444 -5.953 6.039 1.00 0.00 C ATOM 1198 C LEU A 80 87.829 -7.204 5.415 1.00 0.00 C ATOM 1199 O LEU A 80 88.173 -7.605 4.324 1.00 0.00 O ATOM 1200 CB LEU A 80 87.345 -5.008 6.522 1.00 0.00 C ATOM 1201 CG LEU A 80 87.909 -4.053 7.574 1.00 0.00 C ATOM 1202 CD1 LEU A 80 88.132 -4.807 8.885 1.00 0.00 C ATOM 1203 CD2 LEU A 80 89.242 -3.477 7.086 1.00 0.00 C ATOM 0 H LEU A 80 88.672 -4.359 4.647 1.00 0.00 H new ATOM 0 HA LEU A 80 89.092 -6.298 6.844 1.00 0.00 H new ATOM 0 HB2 LEU A 80 86.944 -4.442 5.681 1.00 0.00 H new ATOM 0 HB3 LEU A 80 86.519 -5.581 6.943 1.00 0.00 H new ATOM 0 HG LEU A 80 87.201 -3.241 7.737 1.00 0.00 H new ATOM 0 HD11 LEU A 80 88.534 -4.124 9.634 1.00 0.00 H new ATOM 0 HD12 LEU A 80 87.184 -5.214 9.237 1.00 0.00 H new ATOM 0 HD13 LEU A 80 88.837 -5.622 8.721 1.00 0.00 H new ATOM 0 HD21 LEU A 80 89.641 -2.797 7.838 1.00 0.00 H new ATOM 0 HD22 LEU A 80 89.950 -4.289 6.919 1.00 0.00 H new ATOM 0 HD23 LEU A 80 89.085 -2.935 6.153 1.00 0.00 H new ATOM 1215 N LYS A 81 86.918 -7.811 6.118 1.00 0.00 N ATOM 1216 CA LYS A 81 86.242 -9.038 5.606 1.00 0.00 C ATOM 1217 C LYS A 81 84.830 -9.081 6.137 1.00 0.00 C ATOM 1218 O LYS A 81 84.392 -10.068 6.689 1.00 0.00 O ATOM 1219 CB LYS A 81 87.021 -10.194 6.167 1.00 0.00 C ATOM 1220 CG LYS A 81 87.607 -11.028 5.029 1.00 0.00 C ATOM 1221 CD LYS A 81 88.685 -11.963 5.581 1.00 0.00 C ATOM 1222 CE LYS A 81 89.982 -11.772 4.792 1.00 0.00 C ATOM 1223 NZ LYS A 81 90.883 -11.021 5.709 1.00 0.00 N ATOM 0 H LYS A 81 86.607 -7.506 7.040 1.00 0.00 H new ATOM 0 HA LYS A 81 86.205 -9.063 4.517 1.00 0.00 H new ATOM 0 HB2 LYS A 81 87.821 -9.827 6.810 1.00 0.00 H new ATOM 0 HB3 LYS A 81 86.373 -10.814 6.787 1.00 0.00 H new ATOM 0 HG2 LYS A 81 86.820 -11.608 4.547 1.00 0.00 H new ATOM 0 HG3 LYS A 81 88.033 -10.375 4.268 1.00 0.00 H new ATOM 0 HD2 LYS A 81 88.856 -11.754 6.637 1.00 0.00 H new ATOM 0 HD3 LYS A 81 88.353 -12.999 5.510 1.00 0.00 H new ATOM 0 HE2 LYS A 81 90.417 -12.731 4.509 1.00 0.00 H new ATOM 0 HE3 LYS A 81 89.805 -11.218 3.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 91.795 -10.851 5.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 90.446 -10.110 5.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 91.038 -11.576 6.575 1.00 0.00 H new ATOM 1237 N VAL A 82 84.148 -8.006 5.950 1.00 0.00 N ATOM 1238 CA VAL A 82 82.720 -7.856 6.416 1.00 0.00 C ATOM 1239 C VAL A 82 82.384 -8.929 7.459 1.00 0.00 C ATOM 1240 O VAL A 82 83.144 -9.159 8.380 1.00 0.00 O ATOM 1241 CB VAL A 82 81.874 -7.977 5.137 1.00 0.00 C ATOM 1242 CG1 VAL A 82 81.833 -9.426 4.644 1.00 0.00 C ATOM 1243 CG2 VAL A 82 80.450 -7.485 5.414 1.00 0.00 C ATOM 0 H VAL A 82 84.518 -7.181 5.477 1.00 0.00 H new ATOM 0 HA VAL A 82 82.528 -6.906 6.914 1.00 0.00 H new ATOM 0 HB VAL A 82 82.331 -7.363 4.361 1.00 0.00 H new ATOM 0 HG11 VAL A 82 81.229 -9.485 3.739 1.00 0.00 H new ATOM 0 HG12 VAL A 82 82.846 -9.765 4.427 1.00 0.00 H new ATOM 0 HG13 VAL A 82 81.395 -10.060 5.415 1.00 0.00 H new ATOM 0 HG21 VAL A 82 79.852 -7.571 4.507 1.00 0.00 H new ATOM 0 HG22 VAL A 82 80.003 -8.090 6.202 1.00 0.00 H new ATOM 0 HG23 VAL A 82 80.480 -6.442 5.730 1.00 0.00 H new ATOM 1253 N PHE A 83 81.284 -9.603 7.331 1.00 0.00 N ATOM 1254 CA PHE A 83 80.961 -10.669 8.318 1.00 0.00 C ATOM 1255 C PHE A 83 81.770 -11.937 7.994 1.00 0.00 C ATOM 1256 O PHE A 83 81.524 -12.998 8.534 1.00 0.00 O ATOM 1257 CB PHE A 83 79.461 -10.923 8.160 1.00 0.00 C ATOM 1258 CG PHE A 83 78.740 -10.437 9.394 1.00 0.00 C ATOM 1259 CD1 PHE A 83 78.992 -11.037 10.632 1.00 0.00 C ATOM 1260 CD2 PHE A 83 77.823 -9.382 9.303 1.00 0.00 C ATOM 1261 CE1 PHE A 83 78.330 -10.586 11.779 1.00 0.00 C ATOM 1262 CE2 PHE A 83 77.159 -8.932 10.451 1.00 0.00 C ATOM 1263 CZ PHE A 83 77.413 -9.533 11.688 1.00 0.00 C ATOM 0 H PHE A 83 80.595 -9.466 6.591 1.00 0.00 H new ATOM 0 HA PHE A 83 81.210 -10.383 9.340 1.00 0.00 H new ATOM 0 HB2 PHE A 83 79.084 -10.406 7.277 1.00 0.00 H new ATOM 0 HB3 PHE A 83 79.274 -11.986 8.011 1.00 0.00 H new ATOM 0 HD1 PHE A 83 79.699 -11.850 10.703 1.00 0.00 H new ATOM 0 HD2 PHE A 83 77.628 -8.916 8.348 1.00 0.00 H new ATOM 0 HE1 PHE A 83 78.527 -11.050 12.734 1.00 0.00 H new ATOM 0 HE2 PHE A 83 76.450 -8.120 10.381 1.00 0.00 H new ATOM 0 HZ PHE A 83 76.901 -9.184 12.573 1.00 0.00 H new ATOM 1273 N GLY A 84 82.738 -11.830 7.113 1.00 0.00 N ATOM 1274 CA GLY A 84 83.567 -13.013 6.749 1.00 0.00 C ATOM 1275 C GLY A 84 83.914 -12.956 5.256 1.00 0.00 C ATOM 1276 O GLY A 84 83.971 -13.967 4.585 1.00 0.00 O ATOM 0 H GLY A 84 82.987 -10.966 6.630 1.00 0.00 H new ATOM 0 HA2 GLY A 84 84.480 -13.028 7.345 1.00 0.00 H new ATOM 0 HA3 GLY A 84 83.026 -13.932 6.972 1.00 0.00 H new ATOM 1280 N ASN A 85 84.149 -11.780 4.731 1.00 0.00 N ATOM 1281 CA ASN A 85 84.493 -11.657 3.287 1.00 0.00 C ATOM 1282 C ASN A 85 84.861 -10.206 2.967 1.00 0.00 C ATOM 1283 O ASN A 85 84.049 -9.312 3.076 1.00 0.00 O ATOM 1284 CB ASN A 85 83.225 -12.067 2.535 1.00 0.00 C ATOM 1285 CG ASN A 85 83.605 -12.916 1.320 1.00 0.00 C ATOM 1286 OD1 ASN A 85 84.740 -13.330 1.184 1.00 0.00 O ATOM 1287 ND2 ASN A 85 82.698 -13.194 0.423 1.00 0.00 N ATOM 0 H ASN A 85 84.117 -10.899 5.244 1.00 0.00 H new ATOM 0 HA ASN A 85 85.344 -12.278 3.008 1.00 0.00 H new ATOM 0 HB2 ASN A 85 82.565 -12.631 3.194 1.00 0.00 H new ATOM 0 HB3 ASN A 85 82.676 -11.181 2.216 1.00 0.00 H new ATOM 0 HD21 ASN A 85 82.942 -13.758 -0.391 1.00 0.00 H new ATOM 0 HD22 ASN A 85 81.746 -12.847 0.536 1.00 0.00 H new ATOM 1294 N GLU A 86 86.083 -9.963 2.581 1.00 0.00 N ATOM 1295 CA GLU A 86 86.499 -8.567 2.266 1.00 0.00 C ATOM 1296 C GLU A 86 85.534 -7.939 1.264 1.00 0.00 C ATOM 1297 O GLU A 86 85.726 -8.001 0.066 1.00 0.00 O ATOM 1298 CB GLU A 86 87.908 -8.703 1.694 1.00 0.00 C ATOM 1299 CG GLU A 86 88.236 -7.518 0.779 1.00 0.00 C ATOM 1300 CD GLU A 86 89.752 -7.418 0.598 1.00 0.00 C ATOM 1301 OE1 GLU A 86 90.458 -7.587 1.579 1.00 0.00 O ATOM 1302 OE2 GLU A 86 90.181 -7.177 -0.518 1.00 0.00 O ATOM 0 H GLU A 86 86.811 -10.669 2.470 1.00 0.00 H new ATOM 0 HA GLU A 86 86.487 -7.913 3.138 1.00 0.00 H new ATOM 0 HB2 GLU A 86 88.633 -8.753 2.507 1.00 0.00 H new ATOM 0 HB3 GLU A 86 87.991 -9.635 1.135 1.00 0.00 H new ATOM 0 HG2 GLU A 86 87.751 -7.647 -0.189 1.00 0.00 H new ATOM 0 HG3 GLU A 86 87.849 -6.594 1.209 1.00 0.00 H new ATOM 1309 N ILE A 87 84.496 -7.330 1.758 1.00 0.00 N ATOM 1310 CA ILE A 87 83.511 -6.685 0.848 1.00 0.00 C ATOM 1311 C ILE A 87 84.245 -5.895 -0.232 1.00 0.00 C ATOM 1312 O ILE A 87 85.277 -5.301 0.007 1.00 0.00 O ATOM 1313 CB ILE A 87 82.671 -5.742 1.718 1.00 0.00 C ATOM 1314 CG1 ILE A 87 83.537 -5.128 2.824 1.00 0.00 C ATOM 1315 CG2 ILE A 87 81.517 -6.522 2.346 1.00 0.00 C ATOM 1316 CD1 ILE A 87 83.122 -3.672 3.047 1.00 0.00 C ATOM 0 H ILE A 87 84.286 -7.250 2.753 1.00 0.00 H new ATOM 0 HA ILE A 87 82.882 -7.423 0.350 1.00 0.00 H new ATOM 0 HB ILE A 87 82.276 -4.941 1.093 1.00 0.00 H new ATOM 0 HG12 ILE A 87 83.423 -5.696 3.748 1.00 0.00 H new ATOM 0 HG13 ILE A 87 84.590 -5.179 2.547 1.00 0.00 H new ATOM 0 HG21 ILE A 87 80.919 -5.852 2.965 1.00 0.00 H new ATOM 0 HG22 ILE A 87 80.892 -6.944 1.559 1.00 0.00 H new ATOM 0 HG23 ILE A 87 81.915 -7.327 2.963 1.00 0.00 H new ATOM 0 HD11 ILE A 87 83.737 -3.235 3.833 1.00 0.00 H new ATOM 0 HD12 ILE A 87 83.259 -3.109 2.124 1.00 0.00 H new ATOM 0 HD13 ILE A 87 82.074 -3.634 3.343 1.00 0.00 H new ATOM 1328 N LYS A 88 83.716 -5.885 -1.415 1.00 0.00 N ATOM 1329 CA LYS A 88 84.371 -5.136 -2.522 1.00 0.00 C ATOM 1330 C LYS A 88 83.423 -4.062 -3.051 1.00 0.00 C ATOM 1331 O LYS A 88 82.220 -4.169 -2.930 1.00 0.00 O ATOM 1332 CB LYS A 88 84.652 -6.182 -3.600 1.00 0.00 C ATOM 1333 CG LYS A 88 85.785 -7.100 -3.139 1.00 0.00 C ATOM 1334 CD LYS A 88 86.318 -7.894 -4.333 1.00 0.00 C ATOM 1335 CE LYS A 88 85.754 -9.317 -4.292 1.00 0.00 C ATOM 1336 NZ LYS A 88 86.945 -10.205 -4.395 1.00 0.00 N ATOM 0 H LYS A 88 82.853 -6.365 -1.669 1.00 0.00 H new ATOM 0 HA LYS A 88 85.283 -4.632 -2.202 1.00 0.00 H new ATOM 0 HB2 LYS A 88 83.753 -6.767 -3.797 1.00 0.00 H new ATOM 0 HB3 LYS A 88 84.925 -5.692 -4.535 1.00 0.00 H new ATOM 0 HG2 LYS A 88 86.587 -6.510 -2.694 1.00 0.00 H new ATOM 0 HG3 LYS A 88 85.424 -7.781 -2.368 1.00 0.00 H new ATOM 0 HD2 LYS A 88 86.033 -7.405 -5.265 1.00 0.00 H new ATOM 0 HD3 LYS A 88 87.407 -7.922 -4.308 1.00 0.00 H new ATOM 0 HE2 LYS A 88 85.205 -9.498 -3.368 1.00 0.00 H new ATOM 0 HE3 LYS A 88 85.060 -9.491 -5.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 86.640 -11.199 -4.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 87.444 -10.015 -5.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 87.585 -10.022 -3.596 1.00 0.00 H new ATOM 1350 N LEU A 89 83.954 -3.027 -3.635 1.00 0.00 N ATOM 1351 CA LEU A 89 83.088 -1.945 -4.171 1.00 0.00 C ATOM 1352 C LEU A 89 83.247 -1.845 -5.689 1.00 0.00 C ATOM 1353 O LEU A 89 84.092 -2.490 -6.278 1.00 0.00 O ATOM 1354 CB LEU A 89 83.576 -0.661 -3.492 1.00 0.00 C ATOM 1355 CG LEU A 89 85.099 -0.680 -3.347 1.00 0.00 C ATOM 1356 CD1 LEU A 89 85.637 0.750 -3.408 1.00 0.00 C ATOM 1357 CD2 LEU A 89 85.475 -1.308 -2.002 1.00 0.00 C ATOM 0 H LEU A 89 84.956 -2.884 -3.764 1.00 0.00 H new ATOM 0 HA LEU A 89 82.032 -2.129 -3.973 1.00 0.00 H new ATOM 0 HB2 LEU A 89 83.271 0.206 -4.078 1.00 0.00 H new ATOM 0 HB3 LEU A 89 83.112 -0.562 -2.511 1.00 0.00 H new ATOM 0 HG LEU A 89 85.533 -1.266 -4.157 1.00 0.00 H new ATOM 0 HD11 LEU A 89 86.722 0.735 -3.305 1.00 0.00 H new ATOM 0 HD12 LEU A 89 85.370 1.199 -4.365 1.00 0.00 H new ATOM 0 HD13 LEU A 89 85.203 1.337 -2.598 1.00 0.00 H new ATOM 0 HD21 LEU A 89 86.560 -1.322 -1.898 1.00 0.00 H new ATOM 0 HD22 LEU A 89 85.040 -0.722 -1.192 1.00 0.00 H new ATOM 0 HD23 LEU A 89 85.093 -2.328 -1.957 1.00 0.00 H new ATOM 1369 N GLU A 90 82.442 -1.041 -6.326 1.00 0.00 N ATOM 1370 CA GLU A 90 82.549 -0.901 -7.807 1.00 0.00 C ATOM 1371 C GLU A 90 81.811 0.356 -8.277 1.00 0.00 C ATOM 1372 O GLU A 90 80.598 0.394 -8.326 1.00 0.00 O ATOM 1373 CB GLU A 90 81.883 -2.155 -8.371 1.00 0.00 C ATOM 1374 CG GLU A 90 82.857 -2.874 -9.307 1.00 0.00 C ATOM 1375 CD GLU A 90 82.081 -3.504 -10.465 1.00 0.00 C ATOM 1376 OE1 GLU A 90 81.480 -4.545 -10.253 1.00 0.00 O ATOM 1377 OE2 GLU A 90 82.101 -2.935 -11.545 1.00 0.00 O ATOM 0 H GLU A 90 81.716 -0.475 -5.887 1.00 0.00 H new ATOM 0 HA GLU A 90 83.583 -0.803 -8.138 1.00 0.00 H new ATOM 0 HB2 GLU A 90 81.586 -2.818 -7.559 1.00 0.00 H new ATOM 0 HB3 GLU A 90 80.975 -1.886 -8.911 1.00 0.00 H new ATOM 0 HG2 GLU A 90 83.596 -2.170 -9.691 1.00 0.00 H new ATOM 0 HG3 GLU A 90 83.403 -3.643 -8.760 1.00 0.00 H new ATOM 1384 N LYS A 91 82.536 1.385 -8.624 1.00 0.00 N ATOM 1385 CA LYS A 91 81.875 2.637 -9.094 1.00 0.00 C ATOM 1386 C LYS A 91 80.989 2.344 -10.309 1.00 0.00 C ATOM 1387 O LYS A 91 81.482 2.063 -11.383 1.00 0.00 O ATOM 1388 CB LYS A 91 83.023 3.572 -9.479 1.00 0.00 C ATOM 1389 CG LYS A 91 84.048 2.806 -10.318 1.00 0.00 C ATOM 1390 CD LYS A 91 84.817 3.786 -11.204 1.00 0.00 C ATOM 1391 CE LYS A 91 85.762 4.623 -10.339 1.00 0.00 C ATOM 1392 NZ LYS A 91 85.959 5.889 -11.098 1.00 0.00 N ATOM 0 H LYS A 91 83.555 1.413 -8.603 1.00 0.00 H new ATOM 0 HA LYS A 91 81.232 3.075 -8.331 1.00 0.00 H new ATOM 0 HB2 LYS A 91 82.639 4.423 -10.042 1.00 0.00 H new ATOM 0 HB3 LYS A 91 83.497 3.971 -8.582 1.00 0.00 H new ATOM 0 HG2 LYS A 91 84.738 2.269 -9.667 1.00 0.00 H new ATOM 0 HG3 LYS A 91 83.545 2.060 -10.934 1.00 0.00 H new ATOM 0 HD2 LYS A 91 85.384 3.242 -11.959 1.00 0.00 H new ATOM 0 HD3 LYS A 91 84.121 4.436 -11.735 1.00 0.00 H new ATOM 0 HE2 LYS A 91 85.332 4.815 -9.356 1.00 0.00 H new ATOM 0 HE3 LYS A 91 86.709 4.108 -10.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 86.597 6.516 -10.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 86.376 5.676 -12.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 85.042 6.360 -11.231 1.00 0.00 H new ATOM 1406 N PRO A 92 79.704 2.419 -10.093 1.00 0.00 N ATOM 1407 CA PRO A 92 78.733 2.158 -11.182 1.00 0.00 C ATOM 1408 C PRO A 92 78.686 3.341 -12.151 1.00 0.00 C ATOM 1409 O PRO A 92 79.435 4.290 -12.026 1.00 0.00 O ATOM 1410 CB PRO A 92 77.405 2.004 -10.447 1.00 0.00 C ATOM 1411 CG PRO A 92 77.573 2.766 -9.170 1.00 0.00 C ATOM 1412 CD PRO A 92 79.042 2.750 -8.827 1.00 0.00 C ATOM 0 HA PRO A 92 78.986 1.284 -11.782 1.00 0.00 H new ATOM 0 HB2 PRO A 92 76.580 2.402 -11.037 1.00 0.00 H new ATOM 0 HB3 PRO A 92 77.181 0.955 -10.253 1.00 0.00 H new ATOM 0 HG2 PRO A 92 77.216 3.790 -9.284 1.00 0.00 H new ATOM 0 HG3 PRO A 92 76.987 2.311 -8.371 1.00 0.00 H new ATOM 0 HD2 PRO A 92 79.372 3.716 -8.446 1.00 0.00 H new ATOM 0 HD3 PRO A 92 79.263 2.011 -8.057 1.00 0.00 H new ATOM 1420 N LYS A 93 77.808 3.295 -13.117 1.00 0.00 N ATOM 1421 CA LYS A 93 77.711 4.418 -14.093 1.00 0.00 C ATOM 1422 C LYS A 93 79.111 4.881 -14.508 1.00 0.00 C ATOM 1423 O LYS A 93 79.355 6.057 -14.694 1.00 0.00 O ATOM 1424 CB LYS A 93 76.978 5.532 -13.344 1.00 0.00 C ATOM 1425 CG LYS A 93 76.546 6.615 -14.334 1.00 0.00 C ATOM 1426 CD LYS A 93 75.040 6.849 -14.211 1.00 0.00 C ATOM 1427 CE LYS A 93 74.502 7.421 -15.525 1.00 0.00 C ATOM 1428 NZ LYS A 93 73.448 8.391 -15.118 1.00 0.00 N ATOM 0 H LYS A 93 77.154 2.528 -13.272 1.00 0.00 H new ATOM 0 HA LYS A 93 77.189 4.128 -15.005 1.00 0.00 H new ATOM 0 HB2 LYS A 93 76.107 5.126 -12.830 1.00 0.00 H new ATOM 0 HB3 LYS A 93 77.628 5.960 -12.581 1.00 0.00 H new ATOM 0 HG2 LYS A 93 77.086 7.541 -14.135 1.00 0.00 H new ATOM 0 HG3 LYS A 93 76.796 6.313 -15.351 1.00 0.00 H new ATOM 0 HD2 LYS A 93 74.534 5.913 -13.976 1.00 0.00 H new ATOM 0 HD3 LYS A 93 74.834 7.537 -13.391 1.00 0.00 H new ATOM 0 HE2 LYS A 93 75.291 7.911 -16.095 1.00 0.00 H new ATOM 0 HE3 LYS A 93 74.092 6.635 -16.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 73.031 8.826 -15.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 72.707 7.894 -14.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 73.869 9.131 -14.521 1.00 0.00 H new ATOM 1442 N GLY A 94 80.030 3.967 -14.654 1.00 0.00 N ATOM 1443 CA GLY A 94 81.411 4.359 -15.057 1.00 0.00 C ATOM 1444 C GLY A 94 81.998 3.288 -15.978 1.00 0.00 C ATOM 1445 O GLY A 94 81.280 2.544 -16.616 1.00 0.00 O ATOM 0 H GLY A 94 79.886 2.967 -14.512 1.00 0.00 H new ATOM 0 HA2 GLY A 94 81.393 5.322 -15.567 1.00 0.00 H new ATOM 0 HA3 GLY A 94 82.039 4.478 -14.174 1.00 0.00 H new ATOM 1449 N ARG A 95 83.298 3.203 -16.054 1.00 0.00 N ATOM 1450 CA ARG A 95 83.929 2.180 -16.935 1.00 0.00 C ATOM 1451 C ARG A 95 85.349 1.870 -16.454 1.00 0.00 C ATOM 1452 O ARG A 95 85.955 2.645 -15.741 1.00 0.00 O ATOM 1453 CB ARG A 95 83.960 2.819 -18.324 1.00 0.00 C ATOM 1454 CG ARG A 95 82.800 2.277 -19.161 1.00 0.00 C ATOM 1455 CD ARG A 95 82.242 3.395 -20.045 1.00 0.00 C ATOM 1456 NE ARG A 95 80.831 3.568 -19.600 1.00 0.00 N ATOM 1457 CZ ARG A 95 80.099 4.520 -20.109 1.00 0.00 C ATOM 1458 NH1 ARG A 95 80.667 5.541 -20.688 1.00 0.00 N ATOM 1459 NH2 ARG A 95 78.798 4.450 -20.039 1.00 0.00 N ATOM 0 H ARG A 95 83.951 3.798 -15.544 1.00 0.00 H new ATOM 0 HA ARG A 95 83.381 1.238 -16.932 1.00 0.00 H new ATOM 0 HB2 ARG A 95 83.886 3.903 -18.239 1.00 0.00 H new ATOM 0 HB3 ARG A 95 84.909 2.602 -18.815 1.00 0.00 H new ATOM 0 HG2 ARG A 95 83.141 1.446 -19.779 1.00 0.00 H new ATOM 0 HG3 ARG A 95 82.017 1.889 -18.509 1.00 0.00 H new ATOM 0 HD2 ARG A 95 82.811 4.317 -19.922 1.00 0.00 H new ATOM 0 HD3 ARG A 95 82.293 3.127 -21.100 1.00 0.00 H new ATOM 0 HE ARG A 95 80.437 2.942 -18.897 1.00 0.00 H new ATOM 0 HH11 ARG A 95 81.684 5.595 -20.743 1.00 0.00 H new ATOM 0 HH12 ARG A 95 80.094 6.285 -21.086 1.00 0.00 H new ATOM 0 HH21 ARG A 95 78.354 3.651 -19.586 1.00 0.00 H new ATOM 0 HH22 ARG A 95 78.225 5.194 -20.437 1.00 0.00 H new ATOM 1473 N ASP A 96 85.884 0.744 -16.839 1.00 0.00 N ATOM 1474 CA ASP A 96 87.265 0.387 -16.403 1.00 0.00 C ATOM 1475 C ASP A 96 87.311 0.213 -14.883 1.00 0.00 C ATOM 1476 O ASP A 96 87.732 1.095 -14.161 1.00 0.00 O ATOM 1477 CB ASP A 96 88.135 1.568 -16.836 1.00 0.00 C ATOM 1478 CG ASP A 96 89.603 1.139 -16.863 1.00 0.00 C ATOM 1479 OD1 ASP A 96 89.883 0.091 -17.421 1.00 0.00 O ATOM 1480 OD2 ASP A 96 90.421 1.866 -16.326 1.00 0.00 O ATOM 0 H ASP A 96 85.426 0.056 -17.436 1.00 0.00 H new ATOM 0 HA ASP A 96 87.607 -0.551 -16.840 1.00 0.00 H new ATOM 0 HB2 ASP A 96 87.829 1.916 -17.822 1.00 0.00 H new ATOM 0 HB3 ASP A 96 88.002 2.403 -16.148 1.00 0.00 H new ATOM 1485 N GLY A 97 86.881 -0.917 -14.393 1.00 0.00 N ATOM 1486 CA GLY A 97 86.902 -1.146 -12.920 1.00 0.00 C ATOM 1487 C GLY A 97 87.383 -2.569 -12.631 1.00 0.00 C ATOM 1488 O GLY A 97 86.706 -3.535 -12.919 1.00 0.00 O ATOM 0 H GLY A 97 86.516 -1.691 -14.948 1.00 0.00 H new ATOM 0 HA2 GLY A 97 87.561 -0.423 -12.438 1.00 0.00 H new ATOM 0 HA3 GLY A 97 85.906 -0.996 -12.504 1.00 0.00 H new ATOM 1492 N THR A 98 88.550 -2.705 -12.062 1.00 0.00 N ATOM 1493 CA THR A 98 89.075 -4.067 -11.753 1.00 0.00 C ATOM 1494 C THR A 98 90.314 -3.973 -10.860 1.00 0.00 C ATOM 1495 O THR A 98 91.205 -3.183 -11.099 1.00 0.00 O ATOM 1496 CB THR A 98 89.432 -4.684 -13.104 1.00 0.00 C ATOM 1497 OG1 THR A 98 90.371 -5.733 -12.908 1.00 0.00 O ATOM 1498 CG2 THR A 98 90.035 -3.624 -14.029 1.00 0.00 C ATOM 0 H THR A 98 89.162 -1.933 -11.798 1.00 0.00 H new ATOM 0 HA THR A 98 88.343 -4.670 -11.216 1.00 0.00 H new ATOM 0 HB THR A 98 88.527 -5.079 -13.565 1.00 0.00 H new ATOM 0 HG1 THR A 98 90.601 -6.132 -13.773 1.00 0.00 H new ATOM 0 HG21 THR A 98 90.285 -4.078 -14.988 1.00 0.00 H new ATOM 0 HG22 THR A 98 89.313 -2.823 -14.184 1.00 0.00 H new ATOM 0 HG23 THR A 98 90.938 -3.216 -13.575 1.00 0.00 H new ATOM 1506 N ARG A 99 90.377 -4.773 -9.831 1.00 0.00 N ATOM 1507 CA ARG A 99 91.559 -4.729 -8.924 1.00 0.00 C ATOM 1508 C ARG A 99 91.600 -5.982 -8.046 1.00 0.00 C ATOM 1509 O ARG A 99 91.849 -5.912 -6.857 1.00 0.00 O ATOM 1510 CB ARG A 99 91.354 -3.480 -8.066 1.00 0.00 C ATOM 1511 CG ARG A 99 92.686 -2.743 -7.908 1.00 0.00 C ATOM 1512 CD ARG A 99 92.890 -2.369 -6.438 1.00 0.00 C ATOM 1513 NE ARG A 99 93.936 -3.308 -5.946 1.00 0.00 N ATOM 1514 CZ ARG A 99 93.737 -3.993 -4.853 1.00 0.00 C ATOM 1515 NH1 ARG A 99 93.016 -5.081 -4.888 1.00 0.00 N ATOM 1516 NH2 ARG A 99 94.258 -3.590 -3.726 1.00 0.00 N ATOM 0 H ARG A 99 89.662 -5.455 -9.579 1.00 0.00 H new ATOM 0 HA ARG A 99 92.500 -4.696 -9.474 1.00 0.00 H new ATOM 0 HB2 ARG A 99 90.617 -2.825 -8.530 1.00 0.00 H new ATOM 0 HB3 ARG A 99 90.962 -3.759 -7.088 1.00 0.00 H new ATOM 0 HG2 ARG A 99 93.506 -3.374 -8.251 1.00 0.00 H new ATOM 0 HG3 ARG A 99 92.693 -1.846 -8.527 1.00 0.00 H new ATOM 0 HD2 ARG A 99 93.210 -1.332 -6.335 1.00 0.00 H new ATOM 0 HD3 ARG A 99 91.965 -2.475 -5.871 1.00 0.00 H new ATOM 0 HE ARG A 99 94.808 -3.416 -6.463 1.00 0.00 H new ATOM 0 HH11 ARG A 99 92.609 -5.395 -5.769 1.00 0.00 H new ATOM 0 HH12 ARG A 99 92.860 -5.617 -4.034 1.00 0.00 H new ATOM 0 HH21 ARG A 99 94.821 -2.740 -3.699 1.00 0.00 H new ATOM 0 HH22 ARG A 99 94.102 -4.125 -2.872 1.00 0.00 H new ATOM 1530 N GLY A 100 91.358 -7.128 -8.619 1.00 0.00 N ATOM 1531 CA GLY A 100 91.383 -8.384 -7.817 1.00 0.00 C ATOM 1532 C GLY A 100 92.771 -8.572 -7.203 1.00 0.00 C ATOM 1533 O GLY A 100 93.520 -7.629 -7.040 1.00 0.00 O ATOM 0 H GLY A 100 91.144 -7.250 -9.609 1.00 0.00 H new ATOM 0 HA2 GLY A 100 90.629 -8.341 -7.031 1.00 0.00 H new ATOM 0 HA3 GLY A 100 91.135 -9.236 -8.449 1.00 0.00 H new ATOM 1537 N CYS A 101 93.121 -9.781 -6.862 1.00 0.00 N ATOM 1538 CA CYS A 101 94.463 -10.028 -6.259 1.00 0.00 C ATOM 1539 C CYS A 101 95.439 -10.527 -7.328 1.00 0.00 C ATOM 1540 O CYS A 101 96.254 -9.736 -7.773 1.00 0.00 O ATOM 1541 CB CYS A 101 94.229 -11.106 -5.200 1.00 0.00 C ATOM 1542 SG CYS A 101 94.475 -10.396 -3.553 1.00 0.00 S ATOM 1543 OXT CYS A 101 95.354 -11.691 -7.682 1.00 0.00 O ATOM 0 H CYS A 101 92.537 -10.609 -6.974 1.00 0.00 H new ATOM 0 HA CYS A 101 94.897 -9.124 -5.831 1.00 0.00 H new ATOM 0 HB2 CYS A 101 93.219 -11.505 -5.289 1.00 0.00 H new ATOM 0 HB3 CYS A 101 94.915 -11.939 -5.355 1.00 0.00 H new ATOM 0 HG CYS A 101 94.274 -11.311 -2.652 1.00 0.00 H new TER 1549 CYS A 101