USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 729 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 50 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 54 THR OG1 : rot -120:sc= 1.06 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot -58:sc= 0.375 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 38:sc= 0.0233 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -170:sc= -0.0399 (180deg=-0.196) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN :FLIP amide:sc= -4.3! C(o=-5!,f=-4.3!) USER MOD Single : A 55 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0791) USER MOD Single : A 56 MET CE :methyl -137:sc= -0.261 (180deg=-1.76!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -2.91 X(o=-2.9,f=-2.4) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl -139:sc= -0.535 (180deg=-1.19) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -153:sc= 0 (180deg=-0.0041) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.061 -22.355 0.777 1.00 0.00 N ATOM 2 CA MET A 1 -15.633 -21.591 1.873 1.00 0.00 C ATOM 3 C MET A 1 -14.541 -20.870 2.666 1.00 0.00 C ATOM 4 O MET A 1 -14.061 -21.383 3.676 1.00 0.00 O ATOM 5 CB MET A 1 -16.404 -22.530 2.803 1.00 0.00 C ATOM 6 CG MET A 1 -17.900 -22.210 2.787 1.00 0.00 C ATOM 7 SD MET A 1 -18.609 -22.681 1.218 1.00 0.00 S ATOM 8 CE MET A 1 -19.830 -23.860 1.770 1.00 0.00 C ATOM 0 H1 MET A 1 -15.821 -22.835 0.254 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.551 -21.714 0.136 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.401 -23.064 1.155 1.00 0.00 H new ATOM 0 HA MET A 1 -16.308 -20.843 1.457 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.246 -23.563 2.495 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.020 -22.438 3.819 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.402 -22.740 3.596 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.054 -21.145 2.960 1.00 0.00 H new ATOM 0 HE1 MET A 1 -20.369 -24.256 0.909 1.00 0.00 H new ATOM 0 HE2 MET A 1 -19.335 -24.677 2.295 1.00 0.00 H new ATOM 0 HE3 MET A 1 -20.532 -23.368 2.443 1.00 0.00 H new ATOM 18 N SER A 2 -14.182 -19.691 2.179 1.00 0.00 N ATOM 19 CA SER A 2 -13.156 -18.894 2.830 1.00 0.00 C ATOM 20 C SER A 2 -13.289 -17.428 2.413 1.00 0.00 C ATOM 21 O SER A 2 -13.710 -17.133 1.295 1.00 0.00 O ATOM 22 CB SER A 2 -11.758 -19.416 2.496 1.00 0.00 C ATOM 23 OG SER A 2 -10.773 -18.923 3.400 1.00 0.00 O ATOM 0 H SER A 2 -14.583 -19.269 1.342 1.00 0.00 H new ATOM 0 HA SER A 2 -13.295 -18.973 3.908 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.762 -20.506 2.523 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.495 -19.124 1.479 1.00 0.00 H new ATOM 0 HG SER A 2 -9.895 -19.281 3.154 1.00 0.00 H new ATOM 29 N THR A 3 -12.922 -16.548 3.333 1.00 0.00 N ATOM 30 CA THR A 3 -12.995 -15.120 3.074 1.00 0.00 C ATOM 31 C THR A 3 -11.697 -14.628 2.430 1.00 0.00 C ATOM 32 O THR A 3 -11.023 -13.754 2.972 1.00 0.00 O ATOM 33 CB THR A 3 -13.323 -14.417 4.393 1.00 0.00 C ATOM 34 OG1 THR A 3 -13.406 -13.039 4.040 1.00 0.00 O ATOM 35 CG2 THR A 3 -12.166 -14.477 5.392 1.00 0.00 C ATOM 0 H THR A 3 -12.573 -16.796 4.259 1.00 0.00 H new ATOM 0 HA THR A 3 -13.784 -14.887 2.359 1.00 0.00 H new ATOM 0 HB THR A 3 -14.209 -14.872 4.836 1.00 0.00 H new ATOM 0 HG1 THR A 3 -12.559 -12.753 3.638 1.00 0.00 H new ATOM 0 HG21 THR A 3 -12.451 -13.964 6.310 1.00 0.00 H new ATOM 0 HG22 THR A 3 -11.932 -15.518 5.616 1.00 0.00 H new ATOM 0 HG23 THR A 3 -11.289 -13.992 4.963 1.00 0.00 H new ATOM 43 N ASP A 4 -11.387 -15.211 1.281 1.00 0.00 N ATOM 44 CA ASP A 4 -10.182 -14.843 0.557 1.00 0.00 C ATOM 45 C ASP A 4 -10.034 -15.744 -0.671 1.00 0.00 C ATOM 46 O ASP A 4 -9.414 -16.804 -0.596 1.00 0.00 O ATOM 47 CB ASP A 4 -8.938 -15.024 1.429 1.00 0.00 C ATOM 48 CG ASP A 4 -8.379 -13.734 2.033 1.00 0.00 C ATOM 49 OD1 ASP A 4 -8.254 -12.709 1.346 1.00 0.00 O ATOM 50 OD2 ASP A 4 -8.059 -13.810 3.280 1.00 0.00 O ATOM 0 H ASP A 4 -11.949 -15.935 0.834 1.00 0.00 H new ATOM 0 HA ASP A 4 -10.270 -13.796 0.267 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -9.178 -15.713 2.239 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -8.158 -15.495 0.830 1.00 0.00 H new ATOM 55 N THR A 5 -10.615 -15.291 -1.772 1.00 0.00 N ATOM 56 CA THR A 5 -10.556 -16.043 -3.013 1.00 0.00 C ATOM 57 C THR A 5 -11.150 -15.225 -4.162 1.00 0.00 C ATOM 58 O THR A 5 -10.567 -15.150 -5.242 1.00 0.00 O ATOM 59 CB THR A 5 -11.265 -17.380 -2.790 1.00 0.00 C ATOM 60 OG1 THR A 5 -11.284 -17.983 -4.081 1.00 0.00 O ATOM 61 CG2 THR A 5 -12.744 -17.208 -2.437 1.00 0.00 C ATOM 0 H THR A 5 -11.129 -14.412 -1.830 1.00 0.00 H new ATOM 0 HA THR A 5 -9.525 -16.249 -3.301 1.00 0.00 H new ATOM 0 HB THR A 5 -10.763 -17.927 -1.992 1.00 0.00 H new ATOM 0 HG1 THR A 5 -11.725 -18.856 -4.028 1.00 0.00 H new ATOM 0 HG21 THR A 5 -13.199 -18.187 -2.289 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.834 -16.624 -1.521 1.00 0.00 H new ATOM 0 HG23 THR A 5 -13.254 -16.690 -3.249 1.00 0.00 H new ATOM 69 N GLY A 6 -12.303 -14.632 -3.889 1.00 0.00 N ATOM 70 CA GLY A 6 -12.983 -13.822 -4.885 1.00 0.00 C ATOM 71 C GLY A 6 -14.311 -13.288 -4.345 1.00 0.00 C ATOM 72 O GLY A 6 -14.635 -13.488 -3.176 1.00 0.00 O ATOM 0 H GLY A 6 -12.784 -14.697 -2.992 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -12.345 -12.989 -5.179 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -13.163 -14.416 -5.781 1.00 0.00 H new ATOM 76 N VAL A 7 -15.045 -12.620 -5.224 1.00 0.00 N ATOM 77 CA VAL A 7 -16.330 -12.057 -4.850 1.00 0.00 C ATOM 78 C VAL A 7 -16.205 -11.368 -3.489 1.00 0.00 C ATOM 79 O VAL A 7 -16.768 -11.833 -2.500 1.00 0.00 O ATOM 80 CB VAL A 7 -17.405 -13.145 -4.872 1.00 0.00 C ATOM 81 CG1 VAL A 7 -18.753 -12.594 -4.402 1.00 0.00 C ATOM 82 CG2 VAL A 7 -17.524 -13.771 -6.263 1.00 0.00 C ATOM 0 H VAL A 7 -14.773 -12.457 -6.194 1.00 0.00 H new ATOM 0 HA VAL A 7 -16.638 -11.299 -5.571 1.00 0.00 H new ATOM 0 HB VAL A 7 -17.102 -13.928 -4.177 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -19.499 -13.388 -4.427 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -18.657 -12.218 -3.383 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -19.064 -11.783 -5.060 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -18.295 -14.541 -6.251 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -17.792 -13.001 -6.987 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -16.570 -14.217 -6.544 1.00 0.00 H new ATOM 92 N SER A 8 -15.462 -10.271 -3.483 1.00 0.00 N ATOM 93 CA SER A 8 -15.255 -9.514 -2.261 1.00 0.00 C ATOM 94 C SER A 8 -16.510 -8.705 -1.927 1.00 0.00 C ATOM 95 O SER A 8 -17.390 -8.541 -2.771 1.00 0.00 O ATOM 96 CB SER A 8 -14.043 -8.588 -2.385 1.00 0.00 C ATOM 97 OG SER A 8 -12.899 -9.270 -2.890 1.00 0.00 O ATOM 0 H SER A 8 -14.996 -9.888 -4.306 1.00 0.00 H new ATOM 0 HA SER A 8 -15.059 -10.218 -1.452 1.00 0.00 H new ATOM 0 HB2 SER A 8 -14.289 -7.756 -3.044 1.00 0.00 H new ATOM 0 HB3 SER A 8 -13.810 -8.163 -1.409 1.00 0.00 H new ATOM 0 HG SER A 8 -12.148 -8.644 -2.956 1.00 0.00 H new ATOM 103 N LEU A 9 -16.552 -8.220 -0.695 1.00 0.00 N ATOM 104 CA LEU A 9 -17.685 -7.431 -0.240 1.00 0.00 C ATOM 105 C LEU A 9 -17.987 -6.340 -1.269 1.00 0.00 C ATOM 106 O LEU A 9 -19.120 -6.214 -1.731 1.00 0.00 O ATOM 107 CB LEU A 9 -17.432 -6.894 1.170 1.00 0.00 C ATOM 108 CG LEU A 9 -18.519 -7.191 2.206 1.00 0.00 C ATOM 109 CD1 LEU A 9 -18.406 -8.627 2.723 1.00 0.00 C ATOM 110 CD2 LEU A 9 -18.486 -6.168 3.343 1.00 0.00 C ATOM 0 H LEU A 9 -15.820 -8.358 0.002 1.00 0.00 H new ATOM 0 HA LEU A 9 -18.577 -8.053 -0.164 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -16.491 -7.308 1.531 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -17.302 -5.814 1.108 1.00 0.00 H new ATOM 0 HG LEU A 9 -19.490 -7.100 1.719 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -19.190 -8.812 3.458 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -18.517 -9.323 1.891 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -17.431 -8.770 3.189 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -19.268 -6.402 4.065 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -17.514 -6.203 3.836 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -18.652 -5.169 2.939 1.00 0.00 H new ATOM 122 N PRO A 10 -16.927 -5.558 -1.605 1.00 0.00 N ATOM 123 CA PRO A 10 -17.068 -4.481 -2.571 1.00 0.00 C ATOM 124 C PRO A 10 -17.159 -5.030 -3.996 1.00 0.00 C ATOM 125 O PRO A 10 -17.034 -6.235 -4.209 1.00 0.00 O ATOM 126 CB PRO A 10 -15.852 -3.595 -2.352 1.00 0.00 C ATOM 127 CG PRO A 10 -14.844 -4.450 -1.601 1.00 0.00 C ATOM 128 CD PRO A 10 -15.571 -5.677 -1.078 1.00 0.00 C ATOM 0 HA PRO A 10 -17.988 -3.913 -2.436 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -15.442 -3.252 -3.302 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -16.115 -2.706 -1.778 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -14.026 -4.743 -2.259 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -14.404 -3.887 -0.778 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -15.093 -6.595 -1.419 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -15.571 -5.703 0.012 1.00 0.00 H new ATOM 136 N SER A 11 -17.378 -4.121 -4.934 1.00 0.00 N ATOM 137 CA SER A 11 -17.487 -4.499 -6.332 1.00 0.00 C ATOM 138 C SER A 11 -16.417 -5.536 -6.679 1.00 0.00 C ATOM 139 O SER A 11 -15.265 -5.405 -6.269 1.00 0.00 O ATOM 140 CB SER A 11 -17.359 -3.278 -7.245 1.00 0.00 C ATOM 141 OG SER A 11 -18.434 -3.192 -8.176 1.00 0.00 O ATOM 0 H SER A 11 -17.483 -3.123 -4.753 1.00 0.00 H new ATOM 0 HA SER A 11 -18.473 -4.936 -6.492 1.00 0.00 H new ATOM 0 HB2 SER A 11 -17.332 -2.373 -6.638 1.00 0.00 H new ATOM 0 HB3 SER A 11 -16.414 -3.327 -7.786 1.00 0.00 H new ATOM 0 HG SER A 11 -18.316 -2.399 -8.739 1.00 0.00 H new ATOM 147 N TYR A 12 -16.836 -6.543 -7.431 1.00 0.00 N ATOM 148 CA TYR A 12 -15.928 -7.602 -7.838 1.00 0.00 C ATOM 149 C TYR A 12 -15.976 -7.814 -9.353 1.00 0.00 C ATOM 150 O TYR A 12 -16.169 -8.935 -9.820 1.00 0.00 O ATOM 151 CB TYR A 12 -16.422 -8.872 -7.141 1.00 0.00 C ATOM 152 CG TYR A 12 -17.887 -9.208 -7.425 1.00 0.00 C ATOM 153 CD1 TYR A 12 -18.889 -8.575 -6.718 1.00 0.00 C ATOM 154 CD2 TYR A 12 -18.206 -10.144 -8.388 1.00 0.00 C ATOM 155 CE1 TYR A 12 -20.268 -8.891 -6.985 1.00 0.00 C ATOM 156 CE2 TYR A 12 -19.585 -10.460 -8.655 1.00 0.00 C ATOM 157 CZ TYR A 12 -20.548 -9.818 -7.940 1.00 0.00 C ATOM 158 OH TYR A 12 -21.851 -10.117 -8.193 1.00 0.00 O ATOM 0 H TYR A 12 -17.793 -6.648 -7.769 1.00 0.00 H new ATOM 0 HA TYR A 12 -14.901 -7.351 -7.571 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -15.800 -9.711 -7.454 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -16.288 -8.759 -6.065 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -18.639 -7.843 -5.965 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -17.421 -10.639 -8.941 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -21.062 -8.403 -6.439 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -19.849 -11.190 -9.406 1.00 0.00 H new ATOM 0 HH TYR A 12 -21.900 -10.794 -8.900 1.00 0.00 H new ATOM 168 N GLU A 13 -15.798 -6.719 -10.077 1.00 0.00 N ATOM 169 CA GLU A 13 -15.819 -6.771 -11.529 1.00 0.00 C ATOM 170 C GLU A 13 -14.754 -5.838 -12.109 1.00 0.00 C ATOM 171 O GLU A 13 -14.698 -4.661 -11.758 1.00 0.00 O ATOM 172 CB GLU A 13 -17.207 -6.422 -12.070 1.00 0.00 C ATOM 173 CG GLU A 13 -17.554 -4.960 -11.787 1.00 0.00 C ATOM 174 CD GLU A 13 -19.033 -4.683 -12.066 1.00 0.00 C ATOM 175 OE1 GLU A 13 -19.667 -5.421 -12.834 1.00 0.00 O ATOM 176 OE2 GLU A 13 -19.522 -3.660 -11.451 1.00 0.00 O ATOM 0 H GLU A 13 -15.639 -5.791 -9.685 1.00 0.00 H new ATOM 0 HA GLU A 13 -15.590 -7.790 -11.840 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -17.239 -6.606 -13.144 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.953 -7.072 -11.613 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -17.326 -4.723 -10.748 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -16.936 -4.310 -12.406 1.00 0.00 H new ATOM 183 N GLU A 14 -13.935 -6.400 -12.987 1.00 0.00 N ATOM 184 CA GLU A 14 -12.875 -5.633 -13.618 1.00 0.00 C ATOM 185 C GLU A 14 -12.095 -6.512 -14.598 1.00 0.00 C ATOM 186 O GLU A 14 -11.994 -6.190 -15.781 1.00 0.00 O ATOM 187 CB GLU A 14 -11.944 -5.019 -12.571 1.00 0.00 C ATOM 188 CG GLU A 14 -11.641 -3.555 -12.897 1.00 0.00 C ATOM 189 CD GLU A 14 -10.355 -3.094 -12.207 1.00 0.00 C ATOM 190 OE1 GLU A 14 -9.263 -3.502 -12.760 1.00 0.00 O ATOM 191 OE2 GLU A 14 -10.417 -2.383 -11.194 1.00 0.00 O ATOM 0 H GLU A 14 -13.985 -7.377 -13.276 1.00 0.00 H new ATOM 0 HA GLU A 14 -13.329 -4.814 -14.177 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -12.404 -5.088 -11.585 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.014 -5.586 -12.529 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -11.543 -3.432 -13.976 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -12.474 -2.928 -12.578 1.00 0.00 H new ATOM 198 N ASP A 15 -11.564 -7.605 -14.069 1.00 0.00 N ATOM 199 CA ASP A 15 -10.797 -8.533 -14.882 1.00 0.00 C ATOM 200 C ASP A 15 -9.531 -7.837 -15.385 1.00 0.00 C ATOM 201 O ASP A 15 -9.552 -7.173 -16.421 1.00 0.00 O ATOM 202 CB ASP A 15 -11.600 -8.991 -16.101 1.00 0.00 C ATOM 203 CG ASP A 15 -11.746 -10.507 -16.246 1.00 0.00 C ATOM 204 OD1 ASP A 15 -11.827 -11.239 -15.248 1.00 0.00 O ATOM 205 OD2 ASP A 15 -11.777 -10.939 -17.461 1.00 0.00 O ATOM 0 H ASP A 15 -11.650 -7.868 -13.087 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.552 -9.398 -14.266 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -12.595 -8.549 -16.049 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -11.123 -8.599 -17.000 1.00 0.00 H new ATOM 210 N GLN A 16 -8.457 -8.012 -14.628 1.00 0.00 N ATOM 211 CA GLN A 16 -7.184 -7.409 -14.984 1.00 0.00 C ATOM 212 C GLN A 16 -6.139 -7.699 -13.905 1.00 0.00 C ATOM 213 O GLN A 16 -5.037 -8.153 -14.209 1.00 0.00 O ATOM 214 CB GLN A 16 -7.335 -5.903 -15.210 1.00 0.00 C ATOM 215 CG GLN A 16 -7.232 -5.559 -16.697 1.00 0.00 C ATOM 216 CD GLN A 16 -5.772 -5.393 -17.123 1.00 0.00 C ATOM 217 OE1 GLN A 16 -5.143 -6.301 -17.642 1.00 0.00 O ATOM 218 NE2 GLN A 16 -5.269 -4.187 -16.874 1.00 0.00 N ATOM 0 H GLN A 16 -8.443 -8.563 -13.770 1.00 0.00 H new ATOM 0 HA GLN A 16 -6.844 -7.852 -15.920 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -8.297 -5.568 -14.821 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.563 -5.369 -14.655 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -7.700 -6.346 -17.289 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -7.780 -4.639 -16.900 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -5.851 -3.472 -16.437 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -4.302 -3.977 -17.120 1.00 0.00 H new ATOM 227 N GLY A 17 -6.522 -7.426 -12.666 1.00 0.00 N ATOM 228 CA GLY A 17 -5.632 -7.652 -11.541 1.00 0.00 C ATOM 229 C GLY A 17 -4.833 -8.944 -11.725 1.00 0.00 C ATOM 230 O GLY A 17 -3.604 -8.916 -11.779 1.00 0.00 O ATOM 0 H GLY A 17 -7.437 -7.050 -12.417 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.949 -6.809 -11.438 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.212 -7.707 -10.619 1.00 0.00 H new ATOM 234 N SER A 18 -5.563 -10.046 -11.816 1.00 0.00 N ATOM 235 CA SER A 18 -4.938 -11.346 -11.993 1.00 0.00 C ATOM 236 C SER A 18 -3.834 -11.256 -13.049 1.00 0.00 C ATOM 237 O SER A 18 -2.728 -11.750 -12.839 1.00 0.00 O ATOM 238 CB SER A 18 -5.969 -12.403 -12.391 1.00 0.00 C ATOM 239 OG SER A 18 -6.549 -13.039 -11.255 1.00 0.00 O ATOM 0 H SER A 18 -6.582 -10.065 -11.770 1.00 0.00 H new ATOM 0 HA SER A 18 -4.499 -11.647 -11.042 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.755 -11.937 -12.986 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.493 -13.153 -13.023 1.00 0.00 H new ATOM 0 HG SER A 18 -7.203 -13.706 -11.552 1.00 0.00 H new ATOM 245 N LYS A 19 -4.175 -10.623 -14.162 1.00 0.00 N ATOM 246 CA LYS A 19 -3.226 -10.463 -15.251 1.00 0.00 C ATOM 247 C LYS A 19 -1.961 -9.782 -14.724 1.00 0.00 C ATOM 248 O LYS A 19 -0.849 -10.217 -15.021 1.00 0.00 O ATOM 249 CB LYS A 19 -3.877 -9.727 -16.424 1.00 0.00 C ATOM 250 CG LYS A 19 -3.604 -10.450 -17.745 1.00 0.00 C ATOM 251 CD LYS A 19 -4.707 -11.464 -18.054 1.00 0.00 C ATOM 252 CE LYS A 19 -4.374 -12.271 -19.310 1.00 0.00 C ATOM 253 NZ LYS A 19 -5.529 -12.292 -20.234 1.00 0.00 N ATOM 0 H LYS A 19 -5.094 -10.215 -14.333 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.926 -11.436 -15.641 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.952 -9.654 -16.261 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.493 -8.708 -16.477 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.537 -9.723 -18.554 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.642 -10.959 -17.693 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.833 -12.138 -17.207 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.655 -10.944 -18.192 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.509 -11.836 -19.810 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.103 -13.290 -19.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.286 -12.844 -21.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.345 -12.728 -19.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.769 -11.319 -20.512 1.00 0.00 H new ATOM 267 N LEU A 20 -2.173 -8.727 -13.952 1.00 0.00 N ATOM 268 CA LEU A 20 -1.064 -7.982 -13.382 1.00 0.00 C ATOM 269 C LEU A 20 -0.274 -8.894 -12.440 1.00 0.00 C ATOM 270 O LEU A 20 0.919 -8.687 -12.227 1.00 0.00 O ATOM 271 CB LEU A 20 -1.566 -6.699 -12.717 1.00 0.00 C ATOM 272 CG LEU A 20 -1.146 -5.388 -13.387 1.00 0.00 C ATOM 273 CD1 LEU A 20 -2.327 -4.741 -14.112 1.00 0.00 C ATOM 274 CD2 LEU A 20 -0.503 -4.437 -12.376 1.00 0.00 C ATOM 0 H LEU A 20 -3.097 -8.370 -13.708 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.378 -7.660 -14.166 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.655 -6.734 -12.682 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.214 -6.686 -11.686 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.391 -5.615 -14.140 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.002 -3.811 -14.579 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.701 -5.421 -14.878 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.121 -4.529 -13.396 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.214 -3.514 -12.878 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.217 -4.211 -11.584 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.381 -4.908 -11.945 1.00 0.00 H new ATOM 286 N ILE A 21 -0.972 -9.883 -11.903 1.00 0.00 N ATOM 287 CA ILE A 21 -0.351 -10.827 -10.989 1.00 0.00 C ATOM 288 C ILE A 21 0.347 -11.925 -11.794 1.00 0.00 C ATOM 289 O ILE A 21 1.234 -12.607 -11.282 1.00 0.00 O ATOM 290 CB ILE A 21 -1.378 -11.358 -9.987 1.00 0.00 C ATOM 291 CG1 ILE A 21 -1.936 -10.226 -9.122 1.00 0.00 C ATOM 292 CG2 ILE A 21 -0.787 -12.488 -9.142 1.00 0.00 C ATOM 293 CD1 ILE A 21 -3.427 -10.430 -8.845 1.00 0.00 C ATOM 0 H ILE A 21 -1.962 -10.052 -12.083 1.00 0.00 H new ATOM 0 HA ILE A 21 0.415 -10.332 -10.392 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.214 -11.778 -10.546 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.390 -10.181 -8.179 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -1.783 -9.271 -9.624 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.538 -12.847 -8.438 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.479 -13.306 -9.793 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.078 -12.117 -8.592 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.798 -9.611 -8.228 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -3.973 -10.450 -9.788 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -3.574 -11.374 -8.321 1.00 0.00 H new ATOM 305 N ARG A 22 -0.080 -12.063 -13.041 1.00 0.00 N ATOM 306 CA ARG A 22 0.494 -13.066 -13.922 1.00 0.00 C ATOM 307 C ARG A 22 2.005 -12.861 -14.048 1.00 0.00 C ATOM 308 O ARG A 22 2.760 -13.827 -14.140 1.00 0.00 O ATOM 309 CB ARG A 22 -0.140 -13.005 -15.313 1.00 0.00 C ATOM 310 CG ARG A 22 -0.154 -14.386 -15.970 1.00 0.00 C ATOM 311 CD ARG A 22 0.004 -14.273 -17.488 1.00 0.00 C ATOM 312 NE ARG A 22 -0.914 -15.216 -18.164 1.00 0.00 N ATOM 313 CZ ARG A 22 -0.710 -15.714 -19.402 1.00 0.00 C ATOM 314 NH1 ARG A 22 0.384 -15.363 -20.110 1.00 0.00 N ATOM 315 NH2 ARG A 22 -1.597 -16.550 -19.910 1.00 0.00 N ATOM 0 H ARG A 22 -0.817 -11.497 -13.462 1.00 0.00 H new ATOM 0 HA ARG A 22 0.292 -14.044 -13.486 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.159 -12.625 -15.236 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.415 -12.306 -15.939 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.652 -14.995 -15.561 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -1.089 -14.895 -15.735 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.208 -13.253 -17.809 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.034 -14.489 -17.772 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.753 -15.508 -17.663 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.064 -14.717 -19.710 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.530 -15.744 -21.045 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.421 -16.810 -19.368 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.458 -16.935 -20.844 1.00 0.00 H new ATOM 329 N LYS A 23 2.400 -11.596 -14.047 1.00 0.00 N ATOM 330 CA LYS A 23 3.807 -11.252 -14.161 1.00 0.00 C ATOM 331 C LYS A 23 4.617 -12.105 -13.182 1.00 0.00 C ATOM 332 O LYS A 23 5.133 -13.158 -13.551 1.00 0.00 O ATOM 333 CB LYS A 23 4.007 -9.747 -13.976 1.00 0.00 C ATOM 334 CG LYS A 23 3.821 -9.002 -15.300 1.00 0.00 C ATOM 335 CD LYS A 23 4.319 -7.560 -15.192 1.00 0.00 C ATOM 336 CE LYS A 23 3.211 -6.569 -15.552 1.00 0.00 C ATOM 337 NZ LYS A 23 2.947 -6.592 -17.008 1.00 0.00 N ATOM 0 H LYS A 23 1.770 -10.797 -13.969 1.00 0.00 H new ATOM 0 HA LYS A 23 4.175 -11.478 -15.162 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.297 -9.370 -13.240 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.006 -9.555 -13.584 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.363 -9.519 -16.092 1.00 0.00 H new ATOM 0 HG3 LYS A 23 2.767 -9.007 -15.579 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.669 -7.367 -14.178 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.171 -7.415 -15.856 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.300 -6.819 -15.008 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.500 -5.564 -15.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.192 -5.913 -17.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.813 -6.331 -17.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.650 -7.547 -17.292 1.00 0.00 H new ATOM 351 N ALA A 24 4.702 -11.617 -11.952 1.00 0.00 N ATOM 352 CA ALA A 24 5.440 -12.322 -10.918 1.00 0.00 C ATOM 353 C ALA A 24 4.725 -13.635 -10.592 1.00 0.00 C ATOM 354 O ALA A 24 3.838 -14.062 -11.328 1.00 0.00 O ATOM 355 CB ALA A 24 5.588 -11.418 -9.692 1.00 0.00 C ATOM 0 H ALA A 24 4.272 -10.743 -11.649 1.00 0.00 H new ATOM 0 HA ALA A 24 6.443 -12.571 -11.263 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.142 -11.946 -8.915 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.127 -10.513 -9.970 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.601 -11.151 -9.316 1.00 0.00 H new ATOM 361 N LYS A 25 5.139 -14.238 -9.487 1.00 0.00 N ATOM 362 CA LYS A 25 4.550 -15.494 -9.054 1.00 0.00 C ATOM 363 C LYS A 25 4.291 -15.438 -7.547 1.00 0.00 C ATOM 364 O LYS A 25 3.164 -15.201 -7.116 1.00 0.00 O ATOM 365 CB LYS A 25 5.424 -16.673 -9.485 1.00 0.00 C ATOM 366 CG LYS A 25 4.912 -17.288 -10.789 1.00 0.00 C ATOM 367 CD LYS A 25 6.066 -17.572 -11.752 1.00 0.00 C ATOM 368 CE LYS A 25 5.603 -18.446 -12.919 1.00 0.00 C ATOM 369 NZ LYS A 25 6.693 -19.348 -13.355 1.00 0.00 N ATOM 0 H LYS A 25 5.875 -13.880 -8.879 1.00 0.00 H new ATOM 0 HA LYS A 25 3.586 -15.649 -9.538 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.453 -16.338 -9.616 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.432 -17.430 -8.701 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.378 -18.213 -10.574 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.199 -16.610 -11.260 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.466 -16.632 -12.133 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.875 -18.070 -11.219 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.735 -19.033 -12.619 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.290 -17.816 -13.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.362 -19.934 -14.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.511 -18.782 -13.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.973 -19.962 -12.564 1.00 0.00 H new ATOM 383 N GLU A 26 5.354 -15.661 -6.788 1.00 0.00 N ATOM 384 CA GLU A 26 5.256 -15.639 -5.339 1.00 0.00 C ATOM 385 C GLU A 26 4.622 -14.328 -4.869 1.00 0.00 C ATOM 386 O GLU A 26 3.973 -14.288 -3.825 1.00 0.00 O ATOM 387 CB GLU A 26 6.627 -15.847 -4.693 1.00 0.00 C ATOM 388 CG GLU A 26 7.690 -14.981 -5.373 1.00 0.00 C ATOM 389 CD GLU A 26 8.799 -15.845 -5.977 1.00 0.00 C ATOM 390 OE1 GLU A 26 9.096 -16.928 -5.450 1.00 0.00 O ATOM 391 OE2 GLU A 26 9.358 -15.357 -7.032 1.00 0.00 O ATOM 0 H GLU A 26 6.287 -15.858 -7.150 1.00 0.00 H new ATOM 0 HA GLU A 26 4.615 -16.463 -5.026 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.575 -15.600 -3.633 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.910 -16.897 -4.762 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.227 -14.378 -6.155 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.118 -14.289 -4.648 1.00 0.00 H new ATOM 398 N ALA A 27 4.832 -13.288 -5.663 1.00 0.00 N ATOM 399 CA ALA A 27 4.290 -11.979 -5.341 1.00 0.00 C ATOM 400 C ALA A 27 4.760 -11.566 -3.946 1.00 0.00 C ATOM 401 O ALA A 27 3.949 -11.412 -3.033 1.00 0.00 O ATOM 402 CB ALA A 27 2.764 -12.017 -5.455 1.00 0.00 C ATOM 0 H ALA A 27 5.370 -13.326 -6.529 1.00 0.00 H new ATOM 0 HA ALA A 27 4.652 -11.230 -6.045 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.357 -11.035 -5.214 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.482 -12.287 -6.473 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.366 -12.756 -4.760 1.00 0.00 H new ATOM 408 N PRO A 28 6.103 -11.393 -3.820 1.00 0.00 N ATOM 409 CA PRO A 28 6.691 -11.000 -2.550 1.00 0.00 C ATOM 410 C PRO A 28 6.439 -9.518 -2.264 1.00 0.00 C ATOM 411 O PRO A 28 5.562 -8.906 -2.871 1.00 0.00 O ATOM 412 CB PRO A 28 8.168 -11.336 -2.680 1.00 0.00 C ATOM 413 CG PRO A 28 8.435 -11.470 -4.170 1.00 0.00 C ATOM 414 CD PRO A 28 7.094 -11.566 -4.878 1.00 0.00 C ATOM 0 HA PRO A 28 6.249 -11.524 -1.702 1.00 0.00 H new ATOM 0 HB2 PRO A 28 8.787 -10.553 -2.241 1.00 0.00 H new ATOM 0 HB3 PRO A 28 8.406 -12.262 -2.156 1.00 0.00 H new ATOM 0 HG2 PRO A 28 8.999 -10.612 -4.535 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.037 -12.356 -4.372 1.00 0.00 H new ATOM 0 HD2 PRO A 28 6.994 -10.796 -5.644 1.00 0.00 H new ATOM 0 HD3 PRO A 28 6.977 -12.528 -5.376 1.00 0.00 H new ATOM 422 N PHE A 29 7.223 -8.985 -1.339 1.00 0.00 N ATOM 423 CA PHE A 29 7.095 -7.587 -0.965 1.00 0.00 C ATOM 424 C PHE A 29 7.998 -6.703 -1.829 1.00 0.00 C ATOM 425 O PHE A 29 7.891 -5.478 -1.794 1.00 0.00 O ATOM 426 CB PHE A 29 7.537 -7.472 0.495 1.00 0.00 C ATOM 427 CG PHE A 29 8.930 -8.041 0.771 1.00 0.00 C ATOM 428 CD1 PHE A 29 10.034 -7.285 0.525 1.00 0.00 C ATOM 429 CD2 PHE A 29 9.065 -9.302 1.262 1.00 0.00 C ATOM 430 CE1 PHE A 29 11.327 -7.813 0.780 1.00 0.00 C ATOM 431 CE2 PHE A 29 10.358 -9.830 1.518 1.00 0.00 C ATOM 432 CZ PHE A 29 11.462 -9.074 1.271 1.00 0.00 C ATOM 0 H PHE A 29 7.949 -9.496 -0.837 1.00 0.00 H new ATOM 0 HA PHE A 29 6.066 -7.257 -1.106 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.520 -6.422 0.787 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.813 -7.989 1.125 1.00 0.00 H new ATOM 0 HD1 PHE A 29 9.927 -6.283 0.136 1.00 0.00 H new ATOM 0 HD2 PHE A 29 8.188 -9.902 1.457 1.00 0.00 H new ATOM 0 HE1 PHE A 29 12.203 -7.213 0.584 1.00 0.00 H new ATOM 0 HE2 PHE A 29 10.465 -10.831 1.909 1.00 0.00 H new ATOM 0 HZ PHE A 29 12.446 -9.475 1.465 1.00 0.00 H new ATOM 442 N VAL A 30 8.867 -7.360 -2.584 1.00 0.00 N ATOM 443 CA VAL A 30 9.788 -6.649 -3.455 1.00 0.00 C ATOM 444 C VAL A 30 9.013 -5.613 -4.272 1.00 0.00 C ATOM 445 O VAL A 30 9.373 -4.437 -4.292 1.00 0.00 O ATOM 446 CB VAL A 30 10.557 -7.644 -4.326 1.00 0.00 C ATOM 447 CG1 VAL A 30 10.629 -7.162 -5.777 1.00 0.00 C ATOM 448 CG2 VAL A 30 11.956 -7.899 -3.763 1.00 0.00 C ATOM 0 H VAL A 30 8.953 -8.376 -2.611 1.00 0.00 H new ATOM 0 HA VAL A 30 10.531 -6.110 -2.867 1.00 0.00 H new ATOM 0 HB VAL A 30 10.014 -8.589 -4.314 1.00 0.00 H new ATOM 0 HG11 VAL A 30 11.181 -7.888 -6.374 1.00 0.00 H new ATOM 0 HG12 VAL A 30 9.620 -7.056 -6.176 1.00 0.00 H new ATOM 0 HG13 VAL A 30 11.137 -6.199 -5.816 1.00 0.00 H new ATOM 0 HG21 VAL A 30 12.481 -8.610 -4.401 1.00 0.00 H new ATOM 0 HG22 VAL A 30 12.511 -6.962 -3.730 1.00 0.00 H new ATOM 0 HG23 VAL A 30 11.874 -8.307 -2.756 1.00 0.00 H new ATOM 458 N PRO A 31 7.936 -6.100 -4.944 1.00 0.00 N ATOM 459 CA PRO A 31 7.107 -5.230 -5.761 1.00 0.00 C ATOM 460 C PRO A 31 6.209 -4.351 -4.889 1.00 0.00 C ATOM 461 O PRO A 31 5.673 -3.347 -5.356 1.00 0.00 O ATOM 462 CB PRO A 31 6.323 -6.167 -6.665 1.00 0.00 C ATOM 463 CG PRO A 31 6.394 -7.536 -6.007 1.00 0.00 C ATOM 464 CD PRO A 31 7.479 -7.487 -4.944 1.00 0.00 C ATOM 0 HA PRO A 31 7.692 -4.526 -6.352 1.00 0.00 H new ATOM 0 HB2 PRO A 31 5.290 -5.836 -6.768 1.00 0.00 H new ATOM 0 HB3 PRO A 31 6.751 -6.192 -7.667 1.00 0.00 H new ATOM 0 HG2 PRO A 31 5.434 -7.795 -5.561 1.00 0.00 H new ATOM 0 HG3 PRO A 31 6.619 -8.304 -6.747 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.090 -7.776 -3.968 1.00 0.00 H new ATOM 0 HD3 PRO A 31 8.294 -8.172 -5.178 1.00 0.00 H new ATOM 472 N VAL A 32 6.072 -4.759 -3.636 1.00 0.00 N ATOM 473 CA VAL A 32 5.248 -4.022 -2.694 1.00 0.00 C ATOM 474 C VAL A 32 5.970 -2.734 -2.291 1.00 0.00 C ATOM 475 O VAL A 32 5.354 -1.672 -2.210 1.00 0.00 O ATOM 476 CB VAL A 32 4.898 -4.909 -1.498 1.00 0.00 C ATOM 477 CG1 VAL A 32 4.134 -4.119 -0.433 1.00 0.00 C ATOM 478 CG2 VAL A 32 4.103 -6.139 -1.942 1.00 0.00 C ATOM 0 H VAL A 32 6.518 -5.591 -3.251 1.00 0.00 H new ATOM 0 HA VAL A 32 4.303 -3.735 -3.156 1.00 0.00 H new ATOM 0 HB VAL A 32 5.831 -5.254 -1.054 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.898 -4.774 0.406 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.749 -3.290 -0.084 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.210 -3.730 -0.861 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.867 -6.753 -1.073 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.178 -5.820 -2.423 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.697 -6.721 -2.647 1.00 0.00 H new ATOM 488 N GLY A 33 7.265 -2.870 -2.050 1.00 0.00 N ATOM 489 CA GLY A 33 8.077 -1.731 -1.658 1.00 0.00 C ATOM 490 C GLY A 33 8.398 -0.845 -2.863 1.00 0.00 C ATOM 491 O GLY A 33 8.288 0.377 -2.788 1.00 0.00 O ATOM 0 H GLY A 33 7.773 -3.752 -2.119 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.550 -1.147 -0.903 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.003 -2.080 -1.202 1.00 0.00 H new ATOM 495 N ILE A 34 8.790 -1.498 -3.948 1.00 0.00 N ATOM 496 CA ILE A 34 9.128 -0.785 -5.169 1.00 0.00 C ATOM 497 C ILE A 34 7.881 -0.078 -5.703 1.00 0.00 C ATOM 498 O ILE A 34 7.857 1.147 -5.812 1.00 0.00 O ATOM 499 CB ILE A 34 9.778 -1.732 -6.179 1.00 0.00 C ATOM 500 CG1 ILE A 34 11.036 -2.379 -5.595 1.00 0.00 C ATOM 501 CG2 ILE A 34 10.064 -1.013 -7.499 1.00 0.00 C ATOM 502 CD1 ILE A 34 11.522 -3.529 -6.478 1.00 0.00 C ATOM 0 H ILE A 34 8.881 -2.512 -4.007 1.00 0.00 H new ATOM 0 HA ILE A 34 9.871 -0.013 -4.967 1.00 0.00 H new ATOM 0 HB ILE A 34 9.074 -2.535 -6.395 1.00 0.00 H new ATOM 0 HG12 ILE A 34 11.823 -1.631 -5.500 1.00 0.00 H new ATOM 0 HG13 ILE A 34 10.826 -2.750 -4.592 1.00 0.00 H new ATOM 0 HG21 ILE A 34 10.526 -1.709 -8.200 1.00 0.00 H new ATOM 0 HG22 ILE A 34 9.130 -0.640 -7.920 1.00 0.00 H new ATOM 0 HG23 ILE A 34 10.740 -0.177 -7.319 1.00 0.00 H new ATOM 0 HD11 ILE A 34 12.417 -3.971 -6.040 1.00 0.00 H new ATOM 0 HD12 ILE A 34 10.742 -4.287 -6.551 1.00 0.00 H new ATOM 0 HD13 ILE A 34 11.754 -3.150 -7.473 1.00 0.00 H new ATOM 514 N ALA A 35 6.876 -0.879 -6.023 1.00 0.00 N ATOM 515 CA ALA A 35 5.629 -0.345 -6.543 1.00 0.00 C ATOM 516 C ALA A 35 5.002 0.583 -5.500 1.00 0.00 C ATOM 517 O ALA A 35 4.606 1.703 -5.819 1.00 0.00 O ATOM 518 CB ALA A 35 4.701 -1.499 -6.930 1.00 0.00 C ATOM 0 H ALA A 35 6.900 -1.895 -5.932 1.00 0.00 H new ATOM 0 HA ALA A 35 5.809 0.244 -7.442 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.765 -1.098 -7.320 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.180 -2.111 -7.694 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.495 -2.111 -6.052 1.00 0.00 H new ATOM 524 N GLY A 36 4.931 0.082 -4.276 1.00 0.00 N ATOM 525 CA GLY A 36 4.359 0.852 -3.184 1.00 0.00 C ATOM 526 C GLY A 36 4.862 2.297 -3.210 1.00 0.00 C ATOM 527 O GLY A 36 4.066 3.235 -3.208 1.00 0.00 O ATOM 0 H GLY A 36 5.260 -0.848 -4.016 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.271 0.840 -3.257 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.620 0.389 -2.232 1.00 0.00 H new ATOM 531 N PHE A 37 6.180 2.431 -3.235 1.00 0.00 N ATOM 532 CA PHE A 37 6.798 3.745 -3.261 1.00 0.00 C ATOM 533 C PHE A 37 6.405 4.511 -4.526 1.00 0.00 C ATOM 534 O PHE A 37 6.032 5.681 -4.458 1.00 0.00 O ATOM 535 CB PHE A 37 8.313 3.528 -3.261 1.00 0.00 C ATOM 536 CG PHE A 37 9.098 4.617 -2.528 1.00 0.00 C ATOM 537 CD1 PHE A 37 9.411 5.776 -3.167 1.00 0.00 C ATOM 538 CD2 PHE A 37 9.483 4.427 -1.238 1.00 0.00 C ATOM 539 CE1 PHE A 37 10.139 6.788 -2.487 1.00 0.00 C ATOM 540 CE2 PHE A 37 10.212 5.438 -0.558 1.00 0.00 C ATOM 541 CZ PHE A 37 10.525 6.597 -1.197 1.00 0.00 C ATOM 0 H PHE A 37 6.837 1.651 -3.238 1.00 0.00 H new ATOM 0 HA PHE A 37 6.470 4.327 -2.399 1.00 0.00 H new ATOM 0 HB2 PHE A 37 8.532 2.565 -2.800 1.00 0.00 H new ATOM 0 HB3 PHE A 37 8.662 3.475 -4.292 1.00 0.00 H new ATOM 0 HD1 PHE A 37 9.106 5.927 -4.192 1.00 0.00 H new ATOM 0 HD2 PHE A 37 9.234 3.507 -0.730 1.00 0.00 H new ATOM 0 HE1 PHE A 37 10.386 7.709 -2.994 1.00 0.00 H new ATOM 0 HE2 PHE A 37 10.518 5.287 0.467 1.00 0.00 H new ATOM 0 HZ PHE A 37 11.080 7.366 -0.680 1.00 0.00 H new ATOM 551 N ALA A 38 6.502 3.819 -5.652 1.00 0.00 N ATOM 552 CA ALA A 38 6.161 4.419 -6.931 1.00 0.00 C ATOM 553 C ALA A 38 4.780 5.068 -6.833 1.00 0.00 C ATOM 554 O ALA A 38 4.633 6.265 -7.077 1.00 0.00 O ATOM 555 CB ALA A 38 6.229 3.355 -8.028 1.00 0.00 C ATOM 0 H ALA A 38 6.812 2.849 -5.705 1.00 0.00 H new ATOM 0 HA ALA A 38 6.875 5.201 -7.191 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.973 3.805 -8.987 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.238 2.946 -8.076 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.524 2.555 -7.803 1.00 0.00 H new ATOM 561 N ALA A 39 3.801 4.250 -6.474 1.00 0.00 N ATOM 562 CA ALA A 39 2.436 4.730 -6.341 1.00 0.00 C ATOM 563 C ALA A 39 2.397 5.868 -5.319 1.00 0.00 C ATOM 564 O ALA A 39 1.959 6.974 -5.632 1.00 0.00 O ATOM 565 CB ALA A 39 1.521 3.566 -5.952 1.00 0.00 C ATOM 0 H ALA A 39 3.926 3.258 -6.271 1.00 0.00 H new ATOM 0 HA ALA A 39 2.075 5.126 -7.290 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.497 3.926 -5.852 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.562 2.797 -6.724 1.00 0.00 H new ATOM 0 HB3 ALA A 39 1.852 3.145 -5.003 1.00 0.00 H new ATOM 571 N ILE A 40 2.862 5.558 -4.118 1.00 0.00 N ATOM 572 CA ILE A 40 2.886 6.541 -3.048 1.00 0.00 C ATOM 573 C ILE A 40 3.290 7.901 -3.620 1.00 0.00 C ATOM 574 O ILE A 40 2.691 8.922 -3.286 1.00 0.00 O ATOM 575 CB ILE A 40 3.783 6.065 -1.903 1.00 0.00 C ATOM 576 CG1 ILE A 40 3.154 4.876 -1.173 1.00 0.00 C ATOM 577 CG2 ILE A 40 4.111 7.215 -0.949 1.00 0.00 C ATOM 578 CD1 ILE A 40 4.220 4.055 -0.444 1.00 0.00 C ATOM 0 H ILE A 40 3.225 4.640 -3.862 1.00 0.00 H new ATOM 0 HA ILE A 40 1.892 6.658 -2.616 1.00 0.00 H new ATOM 0 HB ILE A 40 4.726 5.721 -2.328 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.413 5.234 -0.458 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.628 4.243 -1.887 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.749 6.850 -0.145 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.630 8.003 -1.494 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.188 7.612 -0.527 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.747 3.216 0.067 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.945 3.678 -1.165 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.728 4.685 0.286 1.00 0.00 H new ATOM 590 N VAL A 41 4.304 7.871 -4.472 1.00 0.00 N ATOM 591 CA VAL A 41 4.795 9.089 -5.094 1.00 0.00 C ATOM 592 C VAL A 41 3.696 9.686 -5.975 1.00 0.00 C ATOM 593 O VAL A 41 3.333 10.850 -5.818 1.00 0.00 O ATOM 594 CB VAL A 41 6.087 8.801 -5.862 1.00 0.00 C ATOM 595 CG1 VAL A 41 6.529 10.023 -6.669 1.00 0.00 C ATOM 596 CG2 VAL A 41 7.196 8.338 -4.915 1.00 0.00 C ATOM 0 H VAL A 41 4.799 7.022 -4.746 1.00 0.00 H new ATOM 0 HA VAL A 41 5.043 9.832 -4.336 1.00 0.00 H new ATOM 0 HB VAL A 41 5.886 7.991 -6.564 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.449 9.791 -7.205 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.750 10.288 -7.383 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.703 10.861 -5.994 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.103 8.140 -5.486 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.394 9.116 -4.178 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.882 7.427 -4.405 1.00 0.00 H new ATOM 606 N ALA A 42 3.197 8.860 -6.883 1.00 0.00 N ATOM 607 CA ALA A 42 2.146 9.292 -7.790 1.00 0.00 C ATOM 608 C ALA A 42 1.020 9.943 -6.985 1.00 0.00 C ATOM 609 O ALA A 42 0.704 11.114 -7.190 1.00 0.00 O ATOM 610 CB ALA A 42 1.659 8.097 -8.612 1.00 0.00 C ATOM 0 H ALA A 42 3.500 7.895 -7.010 1.00 0.00 H new ATOM 0 HA ALA A 42 2.525 10.037 -8.490 1.00 0.00 H new ATOM 0 HB1 ALA A 42 0.871 8.420 -9.292 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.490 7.688 -9.187 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.269 7.330 -7.943 1.00 0.00 H new ATOM 616 N TYR A 43 0.446 9.157 -6.087 1.00 0.00 N ATOM 617 CA TYR A 43 -0.638 9.643 -5.251 1.00 0.00 C ATOM 618 C TYR A 43 -0.267 10.971 -4.588 1.00 0.00 C ATOM 619 O TYR A 43 -1.026 11.936 -4.653 1.00 0.00 O ATOM 620 CB TYR A 43 -0.841 8.584 -4.165 1.00 0.00 C ATOM 621 CG TYR A 43 -2.150 8.733 -3.387 1.00 0.00 C ATOM 622 CD1 TYR A 43 -2.198 9.539 -2.267 1.00 0.00 C ATOM 623 CD2 TYR A 43 -3.281 8.062 -3.804 1.00 0.00 C ATOM 624 CE1 TYR A 43 -3.430 9.680 -1.534 1.00 0.00 C ATOM 625 CE2 TYR A 43 -4.513 8.203 -3.071 1.00 0.00 C ATOM 626 CZ TYR A 43 -4.526 9.005 -1.972 1.00 0.00 C ATOM 627 OH TYR A 43 -5.689 9.138 -1.280 1.00 0.00 O ATOM 0 H TYR A 43 0.711 8.186 -5.920 1.00 0.00 H new ATOM 0 HA TYR A 43 -1.536 9.809 -5.846 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.815 7.596 -4.626 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.007 8.632 -3.465 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -1.312 10.064 -1.941 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -3.243 7.431 -4.680 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -3.482 10.308 -0.657 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -5.406 7.684 -3.387 1.00 0.00 H new ATOM 0 HH TYR A 43 -5.784 10.065 -0.975 1.00 0.00 H new ATOM 637 N GLY A 44 0.903 10.977 -3.964 1.00 0.00 N ATOM 638 CA GLY A 44 1.384 12.170 -3.290 1.00 0.00 C ATOM 639 C GLY A 44 1.288 13.394 -4.204 1.00 0.00 C ATOM 640 O GLY A 44 0.897 14.473 -3.764 1.00 0.00 O ATOM 0 H GLY A 44 1.531 10.175 -3.912 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.801 12.341 -2.385 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.419 12.024 -2.979 1.00 0.00 H new ATOM 644 N LEU A 45 1.652 13.183 -5.461 1.00 0.00 N ATOM 645 CA LEU A 45 1.612 14.255 -6.441 1.00 0.00 C ATOM 646 C LEU A 45 0.155 14.602 -6.752 1.00 0.00 C ATOM 647 O LEU A 45 -0.207 15.775 -6.821 1.00 0.00 O ATOM 648 CB LEU A 45 2.432 13.881 -7.677 1.00 0.00 C ATOM 649 CG LEU A 45 2.908 15.049 -8.545 1.00 0.00 C ATOM 650 CD1 LEU A 45 4.329 15.470 -8.166 1.00 0.00 C ATOM 651 CD2 LEU A 45 2.788 14.711 -10.032 1.00 0.00 C ATOM 0 H LEU A 45 1.976 12.286 -5.823 1.00 0.00 H new ATOM 0 HA LEU A 45 2.076 15.156 -6.039 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.306 13.316 -7.352 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.834 13.213 -8.297 1.00 0.00 H new ATOM 0 HG LEU A 45 2.258 15.903 -8.355 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.643 16.301 -8.797 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.350 15.780 -7.121 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.008 14.629 -8.309 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.132 15.557 -10.626 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.399 13.837 -10.257 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.747 14.498 -10.274 1.00 0.00 H new ATOM 663 N TYR A 46 -0.643 13.559 -6.931 1.00 0.00 N ATOM 664 CA TYR A 46 -2.053 13.738 -7.233 1.00 0.00 C ATOM 665 C TYR A 46 -2.759 14.508 -6.115 1.00 0.00 C ATOM 666 O TYR A 46 -3.343 15.564 -6.357 1.00 0.00 O ATOM 667 CB TYR A 46 -2.648 12.332 -7.322 1.00 0.00 C ATOM 668 CG TYR A 46 -2.783 11.802 -8.751 1.00 0.00 C ATOM 669 CD1 TYR A 46 -1.722 11.155 -9.350 1.00 0.00 C ATOM 670 CD2 TYR A 46 -3.967 11.972 -9.440 1.00 0.00 C ATOM 671 CE1 TYR A 46 -1.849 10.656 -10.695 1.00 0.00 C ATOM 672 CE2 TYR A 46 -4.094 11.473 -10.785 1.00 0.00 C ATOM 673 CZ TYR A 46 -3.029 10.840 -11.346 1.00 0.00 C ATOM 674 OH TYR A 46 -3.150 10.370 -12.617 1.00 0.00 O ATOM 0 H TYR A 46 -0.340 12.587 -6.873 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.179 14.304 -8.156 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.023 11.647 -6.749 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.631 12.334 -6.852 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -0.796 11.023 -8.810 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.797 12.479 -8.971 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.026 10.147 -11.176 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -5.014 11.599 -11.336 1.00 0.00 H new ATOM 0 HH TYR A 46 -4.047 10.572 -12.956 1.00 0.00 H new ATOM 684 N LYS A 47 -2.683 13.950 -4.916 1.00 0.00 N ATOM 685 CA LYS A 47 -3.308 14.571 -3.761 1.00 0.00 C ATOM 686 C LYS A 47 -2.847 16.026 -3.657 1.00 0.00 C ATOM 687 O LYS A 47 -3.619 16.899 -3.263 1.00 0.00 O ATOM 688 CB LYS A 47 -3.037 13.749 -2.499 1.00 0.00 C ATOM 689 CG LYS A 47 -1.552 13.779 -2.134 1.00 0.00 C ATOM 690 CD LYS A 47 -1.337 13.371 -0.675 1.00 0.00 C ATOM 691 CE LYS A 47 -0.241 14.216 -0.024 1.00 0.00 C ATOM 692 NZ LYS A 47 0.829 13.349 0.519 1.00 0.00 N ATOM 0 H LYS A 47 -2.198 13.074 -4.719 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.392 14.587 -3.877 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.627 14.142 -1.671 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.356 12.719 -2.656 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.999 13.105 -2.789 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.154 14.780 -2.298 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.268 13.487 -0.120 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.066 12.316 -0.625 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.178 14.905 -0.757 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.667 14.822 0.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.475 13.919 1.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.406 12.600 1.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.359 12.919 -0.266 1.00 0.00 H new ATOM 706 N LEU A 48 -1.591 16.242 -4.019 1.00 0.00 N ATOM 707 CA LEU A 48 -1.018 17.577 -3.972 1.00 0.00 C ATOM 708 C LEU A 48 -2.053 18.589 -4.468 1.00 0.00 C ATOM 709 O LEU A 48 -2.487 19.458 -3.713 1.00 0.00 O ATOM 710 CB LEU A 48 0.303 17.620 -4.743 1.00 0.00 C ATOM 711 CG LEU A 48 1.266 18.746 -4.360 1.00 0.00 C ATOM 712 CD1 LEU A 48 2.721 18.287 -4.478 1.00 0.00 C ATOM 713 CD2 LEU A 48 0.994 20.005 -5.186 1.00 0.00 C ATOM 0 H LEU A 48 -0.954 15.516 -4.346 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.771 17.850 -2.946 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.814 16.668 -4.602 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.078 17.707 -5.806 1.00 0.00 H new ATOM 0 HG LEU A 48 1.093 19.003 -3.315 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.385 19.106 -4.200 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.891 17.441 -3.812 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.926 17.987 -5.506 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.692 20.790 -4.894 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.123 19.780 -6.245 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.027 20.343 -5.008 1.00 0.00 H new ATOM 725 N LYS A 49 -2.417 18.443 -5.733 1.00 0.00 N ATOM 726 CA LYS A 49 -3.393 19.334 -6.338 1.00 0.00 C ATOM 727 C LYS A 49 -4.791 18.967 -5.838 1.00 0.00 C ATOM 728 O LYS A 49 -5.174 17.798 -5.855 1.00 0.00 O ATOM 729 CB LYS A 49 -3.261 19.317 -7.863 1.00 0.00 C ATOM 730 CG LYS A 49 -2.188 20.303 -8.331 1.00 0.00 C ATOM 731 CD LYS A 49 -1.365 19.713 -9.478 1.00 0.00 C ATOM 732 CE LYS A 49 -0.844 20.815 -10.402 1.00 0.00 C ATOM 733 NZ LYS A 49 0.636 20.826 -10.414 1.00 0.00 N ATOM 0 H LYS A 49 -2.054 17.721 -6.356 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.207 20.365 -6.036 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.007 18.311 -8.199 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.218 19.573 -8.317 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.658 21.231 -8.656 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.531 20.553 -7.498 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.527 19.145 -9.074 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.978 19.015 -10.048 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.220 20.658 -11.413 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.218 21.783 -10.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.972 21.580 -11.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.990 20.998 -9.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.987 19.908 -10.753 1.00 0.00 H new ATOM 747 N SER A 50 -5.517 19.988 -5.405 1.00 0.00 N ATOM 748 CA SER A 50 -6.865 19.787 -4.901 1.00 0.00 C ATOM 749 C SER A 50 -7.786 19.335 -6.036 1.00 0.00 C ATOM 750 O SER A 50 -8.297 18.216 -6.016 1.00 0.00 O ATOM 751 CB SER A 50 -7.406 21.064 -4.255 1.00 0.00 C ATOM 752 OG SER A 50 -8.495 20.796 -3.375 1.00 0.00 O ATOM 0 H SER A 50 -5.197 20.956 -5.393 1.00 0.00 H new ATOM 0 HA SER A 50 -6.833 19.010 -4.137 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.607 21.558 -3.703 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.730 21.755 -5.033 1.00 0.00 H new ATOM 0 HG SER A 50 -8.812 21.636 -2.981 1.00 0.00 H new ATOM 758 N ARG A 51 -7.969 20.227 -6.998 1.00 0.00 N ATOM 759 CA ARG A 51 -8.820 19.933 -8.138 1.00 0.00 C ATOM 760 C ARG A 51 -8.520 18.533 -8.677 1.00 0.00 C ATOM 761 O ARG A 51 -7.548 18.339 -9.406 1.00 0.00 O ATOM 762 CB ARG A 51 -8.614 20.957 -9.257 1.00 0.00 C ATOM 763 CG ARG A 51 -9.730 22.004 -9.253 1.00 0.00 C ATOM 764 CD ARG A 51 -11.043 21.407 -9.764 1.00 0.00 C ATOM 765 NE ARG A 51 -11.457 22.088 -11.012 1.00 0.00 N ATOM 766 CZ ARG A 51 -12.115 23.266 -11.048 1.00 0.00 C ATOM 767 NH1 ARG A 51 -12.440 23.905 -9.905 1.00 0.00 N ATOM 768 NH2 ARG A 51 -12.436 23.784 -12.220 1.00 0.00 N ATOM 0 H ARG A 51 -7.543 21.153 -7.011 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.855 19.982 -7.801 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -7.649 21.448 -9.132 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.591 20.448 -10.221 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -9.870 22.388 -8.243 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -9.443 22.849 -9.878 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -10.920 20.339 -9.946 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -11.820 21.514 -9.007 1.00 0.00 H new ATOM 0 HE ARG A 51 -11.231 21.639 -11.900 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -12.188 23.498 -9.004 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -12.937 24.795 -9.942 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -12.187 23.295 -13.079 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -12.933 24.673 -12.266 1.00 0.00 H new ATOM 782 N GLY A 52 -9.373 17.593 -8.298 1.00 0.00 N ATOM 783 CA GLY A 52 -9.211 16.216 -8.734 1.00 0.00 C ATOM 784 C GLY A 52 -9.673 15.240 -7.650 1.00 0.00 C ATOM 785 O GLY A 52 -8.907 14.382 -7.215 1.00 0.00 O ATOM 0 H GLY A 52 -10.178 17.757 -7.694 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -9.784 16.050 -9.646 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.165 16.028 -8.976 1.00 0.00 H new ATOM 789 N ASN A 53 -10.924 15.404 -7.245 1.00 0.00 N ATOM 790 CA ASN A 53 -11.497 14.548 -6.221 1.00 0.00 C ATOM 791 C ASN A 53 -10.457 14.303 -5.126 1.00 0.00 C ATOM 792 O ASN A 53 -9.735 13.308 -5.162 1.00 0.00 O ATOM 793 CB ASN A 53 -11.902 13.191 -6.800 1.00 0.00 C ATOM 794 CG ASN A 53 -10.787 12.613 -7.673 1.00 0.00 C ATOM 795 OD1 ASN A 53 -10.885 12.937 -8.960 1.00 0.00 O flip ATOM 796 ND2 ASN A 53 -9.897 11.918 -7.211 1.00 0.00 N flip ATOM 0 H ASN A 53 -11.557 16.117 -7.608 1.00 0.00 H new ATOM 0 HA ASN A 53 -12.379 15.047 -5.820 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -12.130 12.499 -5.989 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.812 13.300 -7.391 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -9.881 11.707 -6.213 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.169 11.548 -7.823 1.00 0.00 H new ATOM 803 N THR A 54 -10.413 15.228 -4.178 1.00 0.00 N ATOM 804 CA THR A 54 -9.473 15.126 -3.075 1.00 0.00 C ATOM 805 C THR A 54 -10.210 15.217 -1.737 1.00 0.00 C ATOM 806 O THR A 54 -11.126 16.022 -1.582 1.00 0.00 O ATOM 807 CB THR A 54 -8.409 16.210 -3.258 1.00 0.00 C ATOM 808 OG1 THR A 54 -9.161 17.398 -3.489 1.00 0.00 O ATOM 809 CG2 THR A 54 -7.600 16.025 -4.543 1.00 0.00 C ATOM 0 H THR A 54 -11.014 16.052 -4.151 1.00 0.00 H new ATOM 0 HA THR A 54 -8.973 14.158 -3.070 1.00 0.00 H new ATOM 0 HB THR A 54 -7.735 16.206 -2.401 1.00 0.00 H new ATOM 0 HG1 THR A 54 -8.925 17.769 -4.365 1.00 0.00 H new ATOM 0 HG21 THR A 54 -6.859 16.820 -4.624 1.00 0.00 H new ATOM 0 HG22 THR A 54 -7.095 15.060 -4.519 1.00 0.00 H new ATOM 0 HG23 THR A 54 -8.269 16.063 -5.403 1.00 0.00 H new ATOM 817 N LYS A 55 -9.781 14.379 -0.804 1.00 0.00 N ATOM 818 CA LYS A 55 -10.388 14.354 0.516 1.00 0.00 C ATOM 819 C LYS A 55 -9.288 14.362 1.579 1.00 0.00 C ATOM 820 O LYS A 55 -9.295 13.536 2.491 1.00 0.00 O ATOM 821 CB LYS A 55 -11.355 13.175 0.639 1.00 0.00 C ATOM 822 CG LYS A 55 -12.782 13.661 0.898 1.00 0.00 C ATOM 823 CD LYS A 55 -13.121 13.599 2.389 1.00 0.00 C ATOM 824 CE LYS A 55 -13.219 15.004 2.987 1.00 0.00 C ATOM 825 NZ LYS A 55 -11.997 15.324 3.759 1.00 0.00 N ATOM 0 H LYS A 55 -9.020 13.712 -0.936 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.991 15.248 0.675 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -11.329 12.582 -0.275 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.036 12.522 1.451 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -12.892 14.684 0.539 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -13.486 13.048 0.336 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -14.065 13.073 2.529 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.357 13.028 2.916 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -13.356 15.736 2.191 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -14.093 15.070 3.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -12.163 16.174 4.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.761 14.525 4.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.208 15.498 3.104 1.00 0.00 H new ATOM 839 N MET A 56 -8.367 15.303 1.426 1.00 0.00 N ATOM 840 CA MET A 56 -7.263 15.428 2.361 1.00 0.00 C ATOM 841 C MET A 56 -6.483 16.722 2.118 1.00 0.00 C ATOM 842 O MET A 56 -6.540 17.290 1.029 1.00 0.00 O ATOM 843 CB MET A 56 -6.324 14.230 2.207 1.00 0.00 C ATOM 844 CG MET A 56 -5.810 14.117 0.771 1.00 0.00 C ATOM 845 SD MET A 56 -6.248 12.527 0.088 1.00 0.00 S ATOM 846 CE MET A 56 -6.597 12.999 -1.598 1.00 0.00 C ATOM 0 H MET A 56 -8.363 15.986 0.668 1.00 0.00 H new ATOM 0 HA MET A 56 -7.669 15.454 3.372 1.00 0.00 H new ATOM 0 HB2 MET A 56 -5.482 14.333 2.891 1.00 0.00 H new ATOM 0 HB3 MET A 56 -6.848 13.315 2.482 1.00 0.00 H new ATOM 0 HG2 MET A 56 -6.235 14.914 0.160 1.00 0.00 H new ATOM 0 HG3 MET A 56 -4.728 14.244 0.753 1.00 0.00 H new ATOM 0 HE1 MET A 56 -7.500 12.492 -1.938 1.00 0.00 H new ATOM 0 HE2 MET A 56 -6.745 14.078 -1.651 1.00 0.00 H new ATOM 0 HE3 MET A 56 -5.760 12.716 -2.236 1.00 0.00 H new ATOM 856 N SER A 57 -5.772 17.149 3.151 1.00 0.00 N ATOM 857 CA SER A 57 -4.981 18.365 3.064 1.00 0.00 C ATOM 858 C SER A 57 -3.490 18.023 3.079 1.00 0.00 C ATOM 859 O SER A 57 -2.769 18.329 2.130 1.00 0.00 O ATOM 860 CB SER A 57 -5.317 19.324 4.208 1.00 0.00 C ATOM 861 OG SER A 57 -5.887 18.645 5.323 1.00 0.00 O ATOM 0 H SER A 57 -5.727 16.675 4.053 1.00 0.00 H new ATOM 0 HA SER A 57 -5.223 18.863 2.125 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.412 19.843 4.524 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.013 20.084 3.852 1.00 0.00 H new ATOM 0 HG SER A 57 -6.086 19.291 6.033 1.00 0.00 H new ATOM 867 N ILE A 58 -3.072 17.391 4.166 1.00 0.00 N ATOM 868 CA ILE A 58 -1.680 17.003 4.317 1.00 0.00 C ATOM 869 C ILE A 58 -0.785 18.215 4.047 1.00 0.00 C ATOM 870 O ILE A 58 -0.124 18.284 3.011 1.00 0.00 O ATOM 871 CB ILE A 58 -1.361 15.795 3.434 1.00 0.00 C ATOM 872 CG1 ILE A 58 -2.182 14.575 3.859 1.00 0.00 C ATOM 873 CG2 ILE A 58 0.140 15.501 3.427 1.00 0.00 C ATOM 874 CD1 ILE A 58 -2.342 13.591 2.698 1.00 0.00 C ATOM 0 H ILE A 58 -3.673 17.138 4.950 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.483 16.682 5.340 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.646 16.036 2.410 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.694 14.078 4.697 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.164 14.896 4.206 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.339 14.638 2.792 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.679 16.367 3.042 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.474 15.289 4.443 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.929 12.733 3.026 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.852 14.084 1.871 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.359 13.253 2.369 1.00 0.00 H new ATOM 886 N HIS A 59 -0.792 19.139 4.996 1.00 0.00 N ATOM 887 CA HIS A 59 0.010 20.344 4.873 1.00 0.00 C ATOM 888 C HIS A 59 0.562 20.735 6.245 1.00 0.00 C ATOM 889 O HIS A 59 1.763 20.632 6.488 1.00 0.00 O ATOM 890 CB HIS A 59 -0.794 21.467 4.215 1.00 0.00 C ATOM 891 CG HIS A 59 0.054 22.485 3.488 1.00 0.00 C ATOM 892 ND1 HIS A 59 0.455 23.676 4.067 1.00 0.00 N ATOM 893 CD2 HIS A 59 0.572 22.475 2.227 1.00 0.00 C ATOM 894 CE1 HIS A 59 1.181 24.346 3.183 1.00 0.00 C ATOM 895 NE2 HIS A 59 1.252 23.600 2.044 1.00 0.00 N ATOM 0 H HIS A 59 -1.341 19.077 5.854 1.00 0.00 H new ATOM 0 HA HIS A 59 0.861 20.154 4.219 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -1.501 21.029 3.511 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -1.380 21.977 4.980 1.00 0.00 H new ATOM 0 HD2 HIS A 59 0.450 21.686 1.500 1.00 0.00 H new ATOM 0 HE1 HIS A 59 1.636 25.313 3.338 1.00 0.00 H new ATOM 0 HE2 HIS A 59 1.746 23.863 1.192 1.00 0.00 H new ATOM 903 N LEU A 60 -0.342 21.176 7.107 1.00 0.00 N ATOM 904 CA LEU A 60 0.039 21.584 8.449 1.00 0.00 C ATOM 905 C LEU A 60 1.065 20.595 9.005 1.00 0.00 C ATOM 906 O LEU A 60 0.772 19.411 9.160 1.00 0.00 O ATOM 907 CB LEU A 60 -1.200 21.745 9.332 1.00 0.00 C ATOM 908 CG LEU A 60 -1.722 23.173 9.501 1.00 0.00 C ATOM 909 CD1 LEU A 60 -2.916 23.433 8.581 1.00 0.00 C ATOM 910 CD2 LEU A 60 -2.052 23.466 10.966 1.00 0.00 C ATOM 0 H LEU A 60 -1.338 21.260 6.902 1.00 0.00 H new ATOM 0 HA LEU A 60 0.517 22.563 8.428 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.001 21.134 8.915 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.973 21.343 10.319 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.932 23.863 9.205 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.268 24.455 8.721 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.613 23.292 7.543 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.719 22.737 8.822 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.421 24.487 11.059 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.817 22.771 11.313 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.154 23.348 11.572 1.00 0.00 H new ATOM 922 N ILE A 61 2.249 21.118 9.290 1.00 0.00 N ATOM 923 CA ILE A 61 3.321 20.296 9.825 1.00 0.00 C ATOM 924 C ILE A 61 3.789 19.313 8.751 1.00 0.00 C ATOM 925 O ILE A 61 4.856 19.490 8.164 1.00 0.00 O ATOM 926 CB ILE A 61 2.881 19.623 11.126 1.00 0.00 C ATOM 927 CG1 ILE A 61 2.390 20.657 12.141 1.00 0.00 C ATOM 928 CG2 ILE A 61 3.999 18.747 11.696 1.00 0.00 C ATOM 929 CD1 ILE A 61 1.533 19.999 13.224 1.00 0.00 C ATOM 0 H ILE A 61 2.489 22.101 9.160 1.00 0.00 H new ATOM 0 HA ILE A 61 4.180 20.913 10.088 1.00 0.00 H new ATOM 0 HB ILE A 61 2.040 18.967 10.902 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.244 21.155 12.601 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.810 21.426 11.631 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.660 18.280 12.621 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.259 17.974 10.973 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.875 19.362 11.900 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.197 20.756 13.932 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.667 19.523 12.764 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.123 19.248 13.749 1.00 0.00 H new ATOM 941 N HIS A 62 2.968 18.297 8.526 1.00 0.00 N ATOM 942 CA HIS A 62 3.285 17.285 7.532 1.00 0.00 C ATOM 943 C HIS A 62 3.144 17.881 6.130 1.00 0.00 C ATOM 944 O HIS A 62 2.146 17.649 5.450 1.00 0.00 O ATOM 945 CB HIS A 62 2.423 16.037 7.735 1.00 0.00 C ATOM 946 CG HIS A 62 2.433 15.507 9.149 1.00 0.00 C ATOM 947 ND1 HIS A 62 1.310 15.511 9.958 1.00 0.00 N ATOM 948 CD2 HIS A 62 3.438 14.958 9.888 1.00 0.00 C ATOM 949 CE1 HIS A 62 1.637 14.985 11.129 1.00 0.00 C ATOM 950 NE2 HIS A 62 2.957 14.644 11.084 1.00 0.00 N ATOM 0 H HIS A 62 2.084 18.153 9.015 1.00 0.00 H new ATOM 0 HA HIS A 62 4.320 16.965 7.650 1.00 0.00 H new ATOM 0 HB2 HIS A 62 1.396 16.267 7.451 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.772 15.254 7.062 1.00 0.00 H new ATOM 0 HD2 HIS A 62 4.454 14.804 9.556 1.00 0.00 H new ATOM 0 HE1 HIS A 62 0.975 14.850 11.971 1.00 0.00 H new ATOM 0 HE2 HIS A 62 3.487 14.218 11.844 1.00 0.00 H new ATOM 958 N MET A 63 4.159 18.638 5.739 1.00 0.00 N ATOM 959 CA MET A 63 4.162 19.269 4.430 1.00 0.00 C ATOM 960 C MET A 63 3.548 18.346 3.375 1.00 0.00 C ATOM 961 O MET A 63 2.520 18.671 2.783 1.00 0.00 O ATOM 962 CB MET A 63 5.599 19.614 4.033 1.00 0.00 C ATOM 963 CG MET A 63 5.722 21.091 3.651 1.00 0.00 C ATOM 964 SD MET A 63 7.428 21.495 3.318 1.00 0.00 S ATOM 965 CE MET A 63 7.311 21.937 1.593 1.00 0.00 C ATOM 0 H MET A 63 4.985 18.829 6.306 1.00 0.00 H new ATOM 0 HA MET A 63 3.562 20.178 4.484 1.00 0.00 H new ATOM 0 HB2 MET A 63 6.272 19.391 4.861 1.00 0.00 H new ATOM 0 HB3 MET A 63 5.908 18.991 3.194 1.00 0.00 H new ATOM 0 HG2 MET A 63 5.112 21.300 2.772 1.00 0.00 H new ATOM 0 HG3 MET A 63 5.342 21.717 4.459 1.00 0.00 H new ATOM 0 HE1 MET A 63 8.296 22.218 1.222 1.00 0.00 H new ATOM 0 HE2 MET A 63 6.938 21.085 1.024 1.00 0.00 H new ATOM 0 HE3 MET A 63 6.627 22.778 1.478 1.00 0.00 H new ATOM 975 N ARG A 64 4.205 17.213 3.173 1.00 0.00 N ATOM 976 CA ARG A 64 3.736 16.241 2.200 1.00 0.00 C ATOM 977 C ARG A 64 4.449 14.902 2.402 1.00 0.00 C ATOM 978 O ARG A 64 3.832 13.923 2.821 1.00 0.00 O ATOM 979 CB ARG A 64 3.981 16.730 0.771 1.00 0.00 C ATOM 980 CG ARG A 64 3.117 15.957 -0.228 1.00 0.00 C ATOM 981 CD ARG A 64 3.649 16.121 -1.654 1.00 0.00 C ATOM 982 NE ARG A 64 4.849 15.276 -1.847 1.00 0.00 N ATOM 983 CZ ARG A 64 5.687 15.382 -2.900 1.00 0.00 C ATOM 984 NH1 ARG A 64 5.463 16.298 -3.865 1.00 0.00 N ATOM 985 NH2 ARG A 64 6.729 14.575 -2.971 1.00 0.00 N ATOM 0 H ARG A 64 5.057 16.947 3.666 1.00 0.00 H new ATOM 0 HA ARG A 64 2.664 16.113 2.350 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.757 17.795 0.704 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.034 16.609 0.517 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.102 14.900 0.039 1.00 0.00 H new ATOM 0 HG3 ARG A 64 2.088 16.313 -0.176 1.00 0.00 H new ATOM 0 HD2 ARG A 64 2.878 15.842 -2.373 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.896 17.166 -1.841 1.00 0.00 H new ATOM 0 HE ARG A 64 5.055 14.570 -1.141 1.00 0.00 H new ATOM 0 HH11 ARG A 64 4.655 16.918 -3.802 1.00 0.00 H new ATOM 0 HH12 ARG A 64 6.102 16.371 -4.657 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.891 13.885 -2.237 1.00 0.00 H new ATOM 0 HH22 ARG A 64 7.373 14.641 -3.760 1.00 0.00 H new ATOM 999 N VAL A 65 5.738 14.902 2.095 1.00 0.00 N ATOM 1000 CA VAL A 65 6.541 13.699 2.238 1.00 0.00 C ATOM 1001 C VAL A 65 6.465 13.209 3.685 1.00 0.00 C ATOM 1002 O VAL A 65 6.509 12.007 3.941 1.00 0.00 O ATOM 1003 CB VAL A 65 7.973 13.968 1.771 1.00 0.00 C ATOM 1004 CG1 VAL A 65 8.072 13.913 0.245 1.00 0.00 C ATOM 1005 CG2 VAL A 65 8.482 15.308 2.306 1.00 0.00 C ATOM 0 H VAL A 65 6.246 15.715 1.748 1.00 0.00 H new ATOM 0 HA VAL A 65 6.151 12.902 1.605 1.00 0.00 H new ATOM 0 HB VAL A 65 8.610 13.182 2.176 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.100 14.108 -0.060 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.771 12.925 -0.104 1.00 0.00 H new ATOM 0 HG13 VAL A 65 7.416 14.667 -0.190 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.502 15.474 1.959 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.840 16.111 1.945 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.467 15.294 3.396 1.00 0.00 H new ATOM 1015 N ALA A 66 6.353 14.166 4.595 1.00 0.00 N ATOM 1016 CA ALA A 66 6.272 13.848 6.010 1.00 0.00 C ATOM 1017 C ALA A 66 5.202 12.775 6.226 1.00 0.00 C ATOM 1018 O ALA A 66 5.498 11.690 6.723 1.00 0.00 O ATOM 1019 CB ALA A 66 5.987 15.124 6.805 1.00 0.00 C ATOM 0 H ALA A 66 6.316 15.162 4.379 1.00 0.00 H new ATOM 0 HA ALA A 66 7.220 13.446 6.368 1.00 0.00 H new ATOM 0 HB1 ALA A 66 5.926 14.885 7.867 1.00 0.00 H new ATOM 0 HB2 ALA A 66 6.790 15.842 6.640 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.041 15.555 6.475 1.00 0.00 H new ATOM 1025 N ALA A 67 3.981 13.117 5.841 1.00 0.00 N ATOM 1026 CA ALA A 67 2.866 12.197 5.986 1.00 0.00 C ATOM 1027 C ALA A 67 3.241 10.847 5.372 1.00 0.00 C ATOM 1028 O ALA A 67 2.749 9.806 5.805 1.00 0.00 O ATOM 1029 CB ALA A 67 1.617 12.803 5.344 1.00 0.00 C ATOM 0 H ALA A 67 3.740 14.018 5.429 1.00 0.00 H new ATOM 0 HA ALA A 67 2.642 12.029 7.039 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.781 12.113 5.453 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.376 13.745 5.836 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.803 12.983 4.285 1.00 0.00 H new ATOM 1035 N GLN A 68 4.109 10.908 4.373 1.00 0.00 N ATOM 1036 CA GLN A 68 4.555 9.703 3.694 1.00 0.00 C ATOM 1037 C GLN A 68 5.453 8.876 4.617 1.00 0.00 C ATOM 1038 O GLN A 68 5.342 7.652 4.663 1.00 0.00 O ATOM 1039 CB GLN A 68 5.276 10.044 2.389 1.00 0.00 C ATOM 1040 CG GLN A 68 5.153 8.901 1.380 1.00 0.00 C ATOM 1041 CD GLN A 68 6.155 9.069 0.236 1.00 0.00 C ATOM 1042 OE1 GLN A 68 6.234 10.103 -0.407 1.00 0.00 O ATOM 1043 NE2 GLN A 68 6.913 7.998 0.019 1.00 0.00 N ATOM 0 H GLN A 68 4.516 11.773 4.017 1.00 0.00 H new ATOM 0 HA GLN A 68 3.679 9.106 3.441 1.00 0.00 H new ATOM 0 HB2 GLN A 68 4.855 10.956 1.964 1.00 0.00 H new ATOM 0 HB3 GLN A 68 6.328 10.243 2.592 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.325 7.949 1.881 1.00 0.00 H new ATOM 0 HG3 GLN A 68 4.140 8.872 0.979 1.00 0.00 H new ATOM 0 HE21 GLN A 68 6.795 7.164 0.595 1.00 0.00 H new ATOM 0 HE22 GLN A 68 7.613 8.010 -0.723 1.00 0.00 H new ATOM 1052 N GLY A 69 6.322 9.579 5.329 1.00 0.00 N ATOM 1053 CA GLY A 69 7.239 8.925 6.248 1.00 0.00 C ATOM 1054 C GLY A 69 6.479 8.242 7.387 1.00 0.00 C ATOM 1055 O GLY A 69 6.789 7.109 7.753 1.00 0.00 O ATOM 0 H GLY A 69 6.411 10.594 5.288 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.835 8.188 5.710 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.934 9.658 6.658 1.00 0.00 H new ATOM 1059 N PHE A 70 5.499 8.960 7.915 1.00 0.00 N ATOM 1060 CA PHE A 70 4.693 8.437 9.005 1.00 0.00 C ATOM 1061 C PHE A 70 3.912 7.197 8.564 1.00 0.00 C ATOM 1062 O PHE A 70 4.057 6.126 9.153 1.00 0.00 O ATOM 1063 CB PHE A 70 3.702 9.536 9.396 1.00 0.00 C ATOM 1064 CG PHE A 70 3.436 9.628 10.900 1.00 0.00 C ATOM 1065 CD1 PHE A 70 2.737 8.645 11.528 1.00 0.00 C ATOM 1066 CD2 PHE A 70 3.899 10.692 11.609 1.00 0.00 C ATOM 1067 CE1 PHE A 70 2.490 8.730 12.923 1.00 0.00 C ATOM 1068 CE2 PHE A 70 3.652 10.777 13.004 1.00 0.00 C ATOM 1069 CZ PHE A 70 2.952 9.794 13.632 1.00 0.00 C ATOM 0 H PHE A 70 5.245 9.899 7.609 1.00 0.00 H new ATOM 0 HA PHE A 70 5.335 8.152 9.838 1.00 0.00 H new ATOM 0 HB2 PHE A 70 4.082 10.495 9.045 1.00 0.00 H new ATOM 0 HB3 PHE A 70 2.758 9.360 8.881 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.370 7.800 10.965 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.455 11.472 11.111 1.00 0.00 H new ATOM 0 HE1 PHE A 70 1.935 7.949 13.421 1.00 0.00 H new ATOM 0 HE2 PHE A 70 4.020 11.622 13.567 1.00 0.00 H new ATOM 0 HZ PHE A 70 2.763 9.859 14.693 1.00 0.00 H new ATOM 1079 N VAL A 71 3.102 7.383 7.532 1.00 0.00 N ATOM 1080 CA VAL A 71 2.299 6.292 7.006 1.00 0.00 C ATOM 1081 C VAL A 71 3.218 5.142 6.591 1.00 0.00 C ATOM 1082 O VAL A 71 2.881 3.974 6.779 1.00 0.00 O ATOM 1083 CB VAL A 71 1.418 6.797 5.861 1.00 0.00 C ATOM 1084 CG1 VAL A 71 0.613 5.652 5.243 1.00 0.00 C ATOM 1085 CG2 VAL A 71 0.497 7.923 6.333 1.00 0.00 C ATOM 0 H VAL A 71 2.985 8.272 7.046 1.00 0.00 H new ATOM 0 HA VAL A 71 1.625 5.909 7.772 1.00 0.00 H new ATOM 0 HB VAL A 71 2.072 7.202 5.089 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.005 6.038 4.432 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.295 4.897 4.852 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.026 5.204 6.004 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.118 8.263 5.500 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.146 7.556 7.133 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.098 8.753 6.703 1.00 0.00 H new ATOM 1095 N VAL A 72 4.362 5.512 6.033 1.00 0.00 N ATOM 1096 CA VAL A 72 5.332 4.525 5.590 1.00 0.00 C ATOM 1097 C VAL A 72 5.665 3.586 6.751 1.00 0.00 C ATOM 1098 O VAL A 72 5.351 2.397 6.702 1.00 0.00 O ATOM 1099 CB VAL A 72 6.565 5.225 5.015 1.00 0.00 C ATOM 1100 CG1 VAL A 72 7.823 4.378 5.223 1.00 0.00 C ATOM 1101 CG2 VAL A 72 6.366 5.558 3.535 1.00 0.00 C ATOM 0 H VAL A 72 4.639 6.481 5.878 1.00 0.00 H new ATOM 0 HA VAL A 72 4.917 3.915 4.788 1.00 0.00 H new ATOM 0 HB VAL A 72 6.700 6.163 5.554 1.00 0.00 H new ATOM 0 HG11 VAL A 72 8.685 4.898 4.805 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.979 4.215 6.289 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.702 3.417 4.723 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.257 6.055 3.151 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.193 4.639 2.975 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.506 6.218 3.423 1.00 0.00 H new ATOM 1111 N GLY A 73 6.295 4.154 7.768 1.00 0.00 N ATOM 1112 CA GLY A 73 6.674 3.382 8.940 1.00 0.00 C ATOM 1113 C GLY A 73 5.501 2.539 9.443 1.00 0.00 C ATOM 1114 O GLY A 73 5.677 1.376 9.801 1.00 0.00 O ATOM 0 H GLY A 73 6.553 5.140 7.805 1.00 0.00 H new ATOM 0 HA2 GLY A 73 7.515 2.733 8.696 1.00 0.00 H new ATOM 0 HA3 GLY A 73 7.009 4.054 9.730 1.00 0.00 H new ATOM 1118 N ALA A 74 4.330 3.159 9.454 1.00 0.00 N ATOM 1119 CA ALA A 74 3.128 2.480 9.908 1.00 0.00 C ATOM 1120 C ALA A 74 2.879 1.252 9.030 1.00 0.00 C ATOM 1121 O ALA A 74 2.525 0.186 9.532 1.00 0.00 O ATOM 1122 CB ALA A 74 1.951 3.458 9.890 1.00 0.00 C ATOM 0 H ALA A 74 4.188 4.124 9.156 1.00 0.00 H new ATOM 0 HA ALA A 74 3.248 2.133 10.934 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.049 2.949 10.230 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.165 4.297 10.551 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.799 3.825 8.875 1.00 0.00 H new ATOM 1128 N MET A 75 3.073 1.442 7.733 1.00 0.00 N ATOM 1129 CA MET A 75 2.873 0.364 6.780 1.00 0.00 C ATOM 1130 C MET A 75 3.871 -0.771 7.020 1.00 0.00 C ATOM 1131 O MET A 75 3.534 -1.943 6.861 1.00 0.00 O ATOM 1132 CB MET A 75 3.043 0.901 5.357 1.00 0.00 C ATOM 1133 CG MET A 75 1.722 0.840 4.587 1.00 0.00 C ATOM 1134 SD MET A 75 0.611 2.105 5.181 1.00 0.00 S ATOM 1135 CE MET A 75 -0.663 2.008 3.935 1.00 0.00 C ATOM 0 H MET A 75 3.367 2.327 7.320 1.00 0.00 H new ATOM 0 HA MET A 75 1.865 -0.029 6.911 1.00 0.00 H new ATOM 0 HB2 MET A 75 3.400 1.930 5.393 1.00 0.00 H new ATOM 0 HB3 MET A 75 3.801 0.319 4.833 1.00 0.00 H new ATOM 0 HG2 MET A 75 1.906 0.977 3.521 1.00 0.00 H new ATOM 0 HG3 MET A 75 1.266 -0.143 4.708 1.00 0.00 H new ATOM 0 HE1 MET A 75 -1.443 2.737 4.154 1.00 0.00 H new ATOM 0 HE2 MET A 75 -0.232 2.221 2.957 1.00 0.00 H new ATOM 0 HE3 MET A 75 -1.093 1.007 3.932 1.00 0.00 H new ATOM 1145 N THR A 76 5.080 -0.383 7.398 1.00 0.00 N ATOM 1146 CA THR A 76 6.129 -1.353 7.661 1.00 0.00 C ATOM 1147 C THR A 76 5.740 -2.255 8.834 1.00 0.00 C ATOM 1148 O THR A 76 5.745 -3.479 8.708 1.00 0.00 O ATOM 1149 CB THR A 76 7.434 -0.588 7.891 1.00 0.00 C ATOM 1150 OG1 THR A 76 7.764 -0.070 6.605 1.00 0.00 O ATOM 1151 CG2 THR A 76 8.604 -1.513 8.231 1.00 0.00 C ATOM 0 H THR A 76 5.356 0.590 7.528 1.00 0.00 H new ATOM 0 HA THR A 76 6.272 -2.021 6.811 1.00 0.00 H new ATOM 0 HB THR A 76 7.295 0.132 8.698 1.00 0.00 H new ATOM 0 HG1 THR A 76 8.597 0.442 6.663 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.505 -0.919 8.384 1.00 0.00 H new ATOM 0 HG22 THR A 76 8.376 -2.068 9.141 1.00 0.00 H new ATOM 0 HG23 THR A 76 8.766 -2.212 7.410 1.00 0.00 H new ATOM 1159 N VAL A 77 5.411 -1.616 9.946 1.00 0.00 N ATOM 1160 CA VAL A 77 5.019 -2.345 11.140 1.00 0.00 C ATOM 1161 C VAL A 77 3.845 -3.268 10.807 1.00 0.00 C ATOM 1162 O VAL A 77 3.819 -4.423 11.229 1.00 0.00 O ATOM 1163 CB VAL A 77 4.706 -1.366 12.273 1.00 0.00 C ATOM 1164 CG1 VAL A 77 5.976 -0.658 12.752 1.00 0.00 C ATOM 1165 CG2 VAL A 77 3.643 -0.353 11.844 1.00 0.00 C ATOM 0 H VAL A 77 5.408 -0.601 10.046 1.00 0.00 H new ATOM 0 HA VAL A 77 5.838 -2.974 11.489 1.00 0.00 H new ATOM 0 HB VAL A 77 4.305 -1.938 13.109 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.726 0.032 13.558 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.689 -1.397 13.116 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.418 -0.104 11.924 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.439 0.331 12.668 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.004 0.211 10.984 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.727 -0.879 11.574 1.00 0.00 H new ATOM 1175 N GLY A 78 2.901 -2.723 10.053 1.00 0.00 N ATOM 1176 CA GLY A 78 1.727 -3.483 9.658 1.00 0.00 C ATOM 1177 C GLY A 78 2.126 -4.789 8.968 1.00 0.00 C ATOM 1178 O GLY A 78 1.644 -5.861 9.333 1.00 0.00 O ATOM 0 H GLY A 78 2.925 -1.764 9.705 1.00 0.00 H new ATOM 0 HA2 GLY A 78 1.119 -3.702 10.536 1.00 0.00 H new ATOM 0 HA3 GLY A 78 1.112 -2.885 8.985 1.00 0.00 H new ATOM 1182 N MET A 79 3.003 -4.657 7.984 1.00 0.00 N ATOM 1183 CA MET A 79 3.472 -5.814 7.239 1.00 0.00 C ATOM 1184 C MET A 79 4.101 -6.849 8.174 1.00 0.00 C ATOM 1185 O MET A 79 3.753 -8.028 8.124 1.00 0.00 O ATOM 1186 CB MET A 79 4.505 -5.369 6.202 1.00 0.00 C ATOM 1187 CG MET A 79 4.112 -5.841 4.800 1.00 0.00 C ATOM 1188 SD MET A 79 2.558 -5.106 4.322 1.00 0.00 S ATOM 1189 CE MET A 79 1.518 -6.557 4.318 1.00 0.00 C ATOM 0 H MET A 79 3.401 -3.767 7.685 1.00 0.00 H new ATOM 0 HA MET A 79 2.618 -6.273 6.741 1.00 0.00 H new ATOM 0 HB2 MET A 79 4.592 -4.283 6.213 1.00 0.00 H new ATOM 0 HB3 MET A 79 5.484 -5.770 6.464 1.00 0.00 H new ATOM 0 HG2 MET A 79 4.888 -5.568 4.085 1.00 0.00 H new ATOM 0 HG3 MET A 79 4.030 -6.928 4.783 1.00 0.00 H new ATOM 0 HE1 MET A 79 0.849 -6.523 3.458 1.00 0.00 H new ATOM 0 HE2 MET A 79 2.140 -7.450 4.259 1.00 0.00 H new ATOM 0 HE3 MET A 79 0.929 -6.585 5.235 1.00 0.00 H new ATOM 1199 N GLY A 80 5.015 -6.371 9.005 1.00 0.00 N ATOM 1200 CA GLY A 80 5.695 -7.241 9.950 1.00 0.00 C ATOM 1201 C GLY A 80 4.690 -8.037 10.785 1.00 0.00 C ATOM 1202 O GLY A 80 4.902 -9.217 11.059 1.00 0.00 O ATOM 0 H GLY A 80 5.301 -5.393 9.044 1.00 0.00 H new ATOM 0 HA2 GLY A 80 6.350 -7.927 9.412 1.00 0.00 H new ATOM 0 HA3 GLY A 80 6.328 -6.645 10.607 1.00 0.00 H new ATOM 1206 N TYR A 81 3.617 -7.358 11.165 1.00 0.00 N ATOM 1207 CA TYR A 81 2.578 -7.987 11.963 1.00 0.00 C ATOM 1208 C TYR A 81 1.805 -9.020 11.141 1.00 0.00 C ATOM 1209 O TYR A 81 1.316 -10.010 11.683 1.00 0.00 O ATOM 1210 CB TYR A 81 1.625 -6.864 12.375 1.00 0.00 C ATOM 1211 CG TYR A 81 1.964 -6.223 13.723 1.00 0.00 C ATOM 1212 CD1 TYR A 81 3.229 -5.720 13.949 1.00 0.00 C ATOM 1213 CD2 TYR A 81 1.005 -6.149 14.712 1.00 0.00 C ATOM 1214 CE1 TYR A 81 3.548 -5.118 15.217 1.00 0.00 C ATOM 1215 CE2 TYR A 81 1.324 -5.546 15.981 1.00 0.00 C ATOM 1216 CZ TYR A 81 2.579 -5.060 16.171 1.00 0.00 C ATOM 1217 OH TYR A 81 2.881 -4.491 17.369 1.00 0.00 O ATOM 0 H TYR A 81 3.445 -6.379 10.935 1.00 0.00 H new ATOM 0 HA TYR A 81 3.012 -8.503 12.820 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.634 -6.093 11.605 1.00 0.00 H new ATOM 0 HB3 TYR A 81 0.610 -7.260 12.417 1.00 0.00 H new ATOM 0 HD1 TYR A 81 3.980 -5.778 13.175 1.00 0.00 H new ATOM 0 HD2 TYR A 81 0.015 -6.543 14.535 1.00 0.00 H new ATOM 0 HE1 TYR A 81 4.534 -4.721 15.407 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.583 -5.482 16.764 1.00 0.00 H new ATOM 0 HH TYR A 81 2.094 -4.518 17.952 1.00 0.00 H new ATOM 1227 N SER A 82 1.718 -8.754 9.846 1.00 0.00 N ATOM 1228 CA SER A 82 1.012 -9.647 8.944 1.00 0.00 C ATOM 1229 C SER A 82 1.966 -10.158 7.861 1.00 0.00 C ATOM 1230 O SER A 82 1.810 -9.829 6.686 1.00 0.00 O ATOM 1231 CB SER A 82 -0.190 -8.949 8.305 1.00 0.00 C ATOM 1232 OG SER A 82 -1.396 -9.200 9.022 1.00 0.00 O ATOM 0 H SER A 82 2.125 -7.932 9.400 1.00 0.00 H new ATOM 0 HA SER A 82 0.641 -10.493 9.522 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.008 -7.875 8.267 1.00 0.00 H new ATOM 0 HB3 SER A 82 -0.302 -9.290 7.276 1.00 0.00 H new ATOM 0 HG SER A 82 -2.140 -8.736 8.584 1.00 0.00 H new ATOM 1238 N MET A 83 2.931 -10.954 8.296 1.00 0.00 N ATOM 1239 CA MET A 83 3.910 -11.514 7.379 1.00 0.00 C ATOM 1240 C MET A 83 4.275 -12.946 7.774 1.00 0.00 C ATOM 1241 O MET A 83 4.178 -13.862 6.959 1.00 0.00 O ATOM 1242 CB MET A 83 5.170 -10.646 7.385 1.00 0.00 C ATOM 1243 CG MET A 83 5.312 -9.878 6.069 1.00 0.00 C ATOM 1244 SD MET A 83 7.005 -9.358 5.846 1.00 0.00 S ATOM 1245 CE MET A 83 7.696 -10.846 5.142 1.00 0.00 C ATOM 0 H MET A 83 3.056 -11.225 9.271 1.00 0.00 H new ATOM 0 HA MET A 83 3.475 -11.532 6.380 1.00 0.00 H new ATOM 0 HB2 MET A 83 5.128 -9.944 8.218 1.00 0.00 H new ATOM 0 HB3 MET A 83 6.048 -11.273 7.541 1.00 0.00 H new ATOM 0 HG2 MET A 83 5.004 -10.509 5.235 1.00 0.00 H new ATOM 0 HG3 MET A 83 4.653 -9.009 6.072 1.00 0.00 H new ATOM 0 HE1 MET A 83 8.760 -10.898 5.374 1.00 0.00 H new ATOM 0 HE2 MET A 83 7.190 -11.716 5.561 1.00 0.00 H new ATOM 0 HE3 MET A 83 7.561 -10.834 4.061 1.00 0.00 H new ATOM 1255 N TYR A 84 4.687 -13.095 9.024 1.00 0.00 N ATOM 1256 CA TYR A 84 5.067 -14.400 9.537 1.00 0.00 C ATOM 1257 C TYR A 84 5.397 -14.328 11.029 1.00 0.00 C ATOM 1258 O TYR A 84 4.904 -15.134 11.817 1.00 0.00 O ATOM 1259 CB TYR A 84 6.325 -14.806 8.767 1.00 0.00 C ATOM 1260 CG TYR A 84 6.811 -16.225 9.071 1.00 0.00 C ATOM 1261 CD1 TYR A 84 6.121 -17.311 8.573 1.00 0.00 C ATOM 1262 CD2 TYR A 84 7.938 -16.417 9.844 1.00 0.00 C ATOM 1263 CE1 TYR A 84 6.578 -18.646 8.859 1.00 0.00 C ATOM 1264 CE2 TYR A 84 8.395 -17.753 10.130 1.00 0.00 C ATOM 1265 CZ TYR A 84 7.692 -18.801 9.624 1.00 0.00 C ATOM 1266 OH TYR A 84 8.124 -20.063 9.894 1.00 0.00 O ATOM 0 H TYR A 84 4.766 -12.333 9.697 1.00 0.00 H new ATOM 0 HA TYR A 84 4.252 -15.113 9.412 1.00 0.00 H new ATOM 0 HB2 TYR A 84 6.127 -14.722 7.698 1.00 0.00 H new ATOM 0 HB3 TYR A 84 7.124 -14.102 9.000 1.00 0.00 H new ATOM 0 HD1 TYR A 84 5.239 -17.160 7.969 1.00 0.00 H new ATOM 0 HD2 TYR A 84 8.477 -15.566 10.234 1.00 0.00 H new ATOM 0 HE1 TYR A 84 6.048 -19.505 8.475 1.00 0.00 H new ATOM 0 HE2 TYR A 84 9.276 -17.918 10.733 1.00 0.00 H new ATOM 0 HH TYR A 84 8.930 -20.021 10.450 1.00 0.00 H new ATOM 1276 N ARG A 85 6.229 -13.356 11.372 1.00 0.00 N ATOM 1277 CA ARG A 85 6.631 -13.168 12.756 1.00 0.00 C ATOM 1278 C ARG A 85 7.561 -11.959 12.879 1.00 0.00 C ATOM 1279 O ARG A 85 8.559 -11.864 12.167 1.00 0.00 O ATOM 1280 CB ARG A 85 7.345 -14.409 13.295 1.00 0.00 C ATOM 1281 CG ARG A 85 7.265 -14.467 14.822 1.00 0.00 C ATOM 1282 CD ARG A 85 7.603 -15.868 15.336 1.00 0.00 C ATOM 1283 NE ARG A 85 6.574 -16.315 16.301 1.00 0.00 N ATOM 1284 CZ ARG A 85 6.645 -17.465 17.005 1.00 0.00 C ATOM 1285 NH1 ARG A 85 7.699 -18.295 16.857 1.00 0.00 N ATOM 1286 NH2 ARG A 85 5.668 -17.766 17.840 1.00 0.00 N ATOM 0 H ARG A 85 6.636 -12.690 10.715 1.00 0.00 H new ATOM 0 HA ARG A 85 5.729 -12.998 13.343 1.00 0.00 H new ATOM 0 HB2 ARG A 85 6.895 -15.306 12.869 1.00 0.00 H new ATOM 0 HB3 ARG A 85 8.389 -14.397 12.982 1.00 0.00 H new ATOM 0 HG2 ARG A 85 7.954 -13.741 15.254 1.00 0.00 H new ATOM 0 HG3 ARG A 85 6.263 -14.188 15.148 1.00 0.00 H new ATOM 0 HD2 ARG A 85 7.659 -16.567 14.501 1.00 0.00 H new ATOM 0 HD3 ARG A 85 8.583 -15.863 15.813 1.00 0.00 H new ATOM 0 HE ARG A 85 5.760 -15.717 16.443 1.00 0.00 H new ATOM 0 HH11 ARG A 85 8.450 -18.055 16.209 1.00 0.00 H new ATOM 0 HH12 ARG A 85 7.745 -19.162 17.393 1.00 0.00 H new ATOM 0 HH21 ARG A 85 4.875 -17.134 17.946 1.00 0.00 H new ATOM 0 HH22 ARG A 85 5.706 -18.631 18.379 1.00 0.00 H new ATOM 1300 N GLU A 86 7.200 -11.066 13.789 1.00 0.00 N ATOM 1301 CA GLU A 86 7.990 -9.867 14.015 1.00 0.00 C ATOM 1302 C GLU A 86 9.483 -10.192 13.935 1.00 0.00 C ATOM 1303 O GLU A 86 10.023 -10.865 14.812 1.00 0.00 O ATOM 1304 CB GLU A 86 7.640 -9.225 15.358 1.00 0.00 C ATOM 1305 CG GLU A 86 6.438 -8.288 15.221 1.00 0.00 C ATOM 1306 CD GLU A 86 5.187 -8.906 15.850 1.00 0.00 C ATOM 1307 OE1 GLU A 86 5.058 -10.139 15.890 1.00 0.00 O ATOM 1308 OE2 GLU A 86 4.331 -8.057 16.308 1.00 0.00 O ATOM 0 H GLU A 86 6.371 -11.149 14.378 1.00 0.00 H new ATOM 0 HA GLU A 86 7.753 -9.146 13.232 1.00 0.00 H new ATOM 0 HB2 GLU A 86 7.419 -10.002 16.090 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.499 -8.668 15.734 1.00 0.00 H new ATOM 0 HG2 GLU A 86 6.658 -7.335 15.702 1.00 0.00 H new ATOM 0 HG3 GLU A 86 6.254 -8.078 14.167 1.00 0.00 H new ATOM 1315 N PHE A 87 10.107 -9.700 12.875 1.00 0.00 N ATOM 1316 CA PHE A 87 11.527 -9.930 12.669 1.00 0.00 C ATOM 1317 C PHE A 87 12.288 -9.883 13.996 1.00 0.00 C ATOM 1318 O PHE A 87 11.849 -9.235 14.945 1.00 0.00 O ATOM 1319 CB PHE A 87 12.036 -8.807 11.763 1.00 0.00 C ATOM 1320 CG PHE A 87 12.010 -7.422 12.414 1.00 0.00 C ATOM 1321 CD1 PHE A 87 13.018 -7.042 13.244 1.00 0.00 C ATOM 1322 CD2 PHE A 87 10.979 -6.572 12.162 1.00 0.00 C ATOM 1323 CE1 PHE A 87 12.993 -5.757 13.848 1.00 0.00 C ATOM 1324 CE2 PHE A 87 10.955 -5.287 12.766 1.00 0.00 C ATOM 1325 CZ PHE A 87 11.963 -4.907 13.597 1.00 0.00 C ATOM 0 H PHE A 87 9.655 -9.143 12.150 1.00 0.00 H new ATOM 0 HA PHE A 87 11.684 -10.913 12.225 1.00 0.00 H new ATOM 0 HB2 PHE A 87 13.057 -9.035 11.458 1.00 0.00 H new ATOM 0 HB3 PHE A 87 11.431 -8.783 10.857 1.00 0.00 H new ATOM 0 HD1 PHE A 87 13.837 -7.717 13.444 1.00 0.00 H new ATOM 0 HD2 PHE A 87 10.179 -6.874 11.503 1.00 0.00 H new ATOM 0 HE1 PHE A 87 13.793 -5.455 14.507 1.00 0.00 H new ATOM 0 HE2 PHE A 87 10.137 -4.611 12.566 1.00 0.00 H new ATOM 0 HZ PHE A 87 11.945 -3.930 14.057 1.00 0.00 H new ATOM 1335 N TRP A 88 13.416 -10.577 14.019 1.00 0.00 N ATOM 1336 CA TRP A 88 14.243 -10.622 15.214 1.00 0.00 C ATOM 1337 C TRP A 88 15.583 -9.962 14.886 1.00 0.00 C ATOM 1338 O TRP A 88 15.941 -8.947 15.481 1.00 0.00 O ATOM 1339 CB TRP A 88 14.391 -12.057 15.723 1.00 0.00 C ATOM 1340 CG TRP A 88 14.780 -13.065 14.640 1.00 0.00 C ATOM 1341 CD1 TRP A 88 15.974 -13.637 14.436 1.00 0.00 C ATOM 1342 CD2 TRP A 88 13.917 -13.601 13.615 1.00 0.00 C ATOM 1343 NE1 TRP A 88 15.945 -14.499 13.358 1.00 0.00 N ATOM 1344 CE2 TRP A 88 14.654 -14.476 12.843 1.00 0.00 C ATOM 1345 CE3 TRP A 88 12.558 -13.355 13.349 1.00 0.00 C ATOM 1346 CZ2 TRP A 88 14.119 -15.175 11.754 1.00 0.00 C ATOM 1347 CZ3 TRP A 88 12.039 -14.061 12.257 1.00 0.00 C ATOM 1348 CH2 TRP A 88 12.767 -14.945 11.470 1.00 0.00 C ATOM 0 H TRP A 88 13.777 -11.113 13.230 1.00 0.00 H new ATOM 0 HA TRP A 88 13.775 -10.071 16.029 1.00 0.00 H new ATOM 0 HB2 TRP A 88 15.145 -12.076 16.510 1.00 0.00 H new ATOM 0 HB3 TRP A 88 13.450 -12.370 16.175 1.00 0.00 H new ATOM 0 HD1 TRP A 88 16.850 -13.448 15.039 1.00 0.00 H new ATOM 0 HE1 TRP A 88 16.727 -15.051 13.005 1.00 0.00 H new ATOM 0 HE3 TRP A 88 11.962 -12.675 13.940 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 14.717 -15.855 11.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 10.999 -13.908 12.009 1.00 0.00 H new ATOM 0 HH2 TRP A 88 12.292 -15.452 10.643 1.00 0.00 H new ATOM 1359 N ALA A 89 16.289 -10.567 13.942 1.00 0.00 N ATOM 1360 CA ALA A 89 17.583 -10.050 13.528 1.00 0.00 C ATOM 1361 C ALA A 89 18.012 -10.741 12.232 1.00 0.00 C ATOM 1362 O ALA A 89 18.972 -11.511 12.224 1.00 0.00 O ATOM 1363 CB ALA A 89 18.596 -10.247 14.658 1.00 0.00 C ATOM 0 H ALA A 89 15.990 -11.410 13.452 1.00 0.00 H new ATOM 0 HA ALA A 89 17.523 -8.980 13.327 1.00 0.00 H new ATOM 0 HB1 ALA A 89 19.567 -9.860 14.348 1.00 0.00 H new ATOM 0 HB2 ALA A 89 18.259 -9.713 15.546 1.00 0.00 H new ATOM 0 HB3 ALA A 89 18.685 -11.309 14.886 1.00 0.00 H new ATOM 1369 N LYS A 90 17.282 -10.441 11.169 1.00 0.00 N ATOM 1370 CA LYS A 90 17.575 -11.023 9.870 1.00 0.00 C ATOM 1371 C LYS A 90 19.092 -11.101 9.682 1.00 0.00 C ATOM 1372 O LYS A 90 19.729 -10.109 9.332 1.00 0.00 O ATOM 1373 CB LYS A 90 16.857 -10.251 8.762 1.00 0.00 C ATOM 1374 CG LYS A 90 15.886 -11.158 8.002 1.00 0.00 C ATOM 1375 CD LYS A 90 14.861 -10.333 7.223 1.00 0.00 C ATOM 1376 CE LYS A 90 13.873 -11.240 6.486 1.00 0.00 C ATOM 1377 NZ LYS A 90 13.537 -10.672 5.161 1.00 0.00 N ATOM 0 H LYS A 90 16.487 -9.802 11.180 1.00 0.00 H new ATOM 0 HA LYS A 90 17.193 -12.042 9.814 1.00 0.00 H new ATOM 0 HB2 LYS A 90 16.313 -9.410 9.193 1.00 0.00 H new ATOM 0 HB3 LYS A 90 17.589 -9.836 8.070 1.00 0.00 H new ATOM 0 HG2 LYS A 90 16.441 -11.797 7.315 1.00 0.00 H new ATOM 0 HG3 LYS A 90 15.372 -11.815 8.703 1.00 0.00 H new ATOM 0 HD2 LYS A 90 14.320 -9.679 7.907 1.00 0.00 H new ATOM 0 HD3 LYS A 90 15.374 -9.691 6.507 1.00 0.00 H new ATOM 0 HE2 LYS A 90 14.304 -12.234 6.364 1.00 0.00 H new ATOM 0 HE3 LYS A 90 12.966 -11.357 7.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 12.866 -11.300 4.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 13.106 -9.734 5.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 14.403 -10.583 4.592 1.00 0.00 H new ATOM 1391 N PRO A 91 19.639 -12.321 9.929 1.00 0.00 N ATOM 1392 CA PRO A 91 21.069 -12.542 9.791 1.00 0.00 C ATOM 1393 C PRO A 91 21.471 -12.621 8.317 1.00 0.00 C ATOM 1394 O PRO A 91 21.641 -13.712 7.773 1.00 0.00 O ATOM 1395 CB PRO A 91 21.344 -13.829 10.551 1.00 0.00 C ATOM 1396 CG PRO A 91 20.000 -14.525 10.692 1.00 0.00 C ATOM 1397 CD PRO A 91 18.915 -13.519 10.345 1.00 0.00 C ATOM 0 HA PRO A 91 21.662 -11.722 10.196 1.00 0.00 H new ATOM 0 HB2 PRO A 91 22.054 -14.456 10.012 1.00 0.00 H new ATOM 0 HB3 PRO A 91 21.780 -13.620 11.528 1.00 0.00 H new ATOM 0 HG2 PRO A 91 19.946 -15.388 10.029 1.00 0.00 H new ATOM 0 HG3 PRO A 91 19.867 -14.895 11.709 1.00 0.00 H new ATOM 0 HD2 PRO A 91 18.272 -13.890 9.547 1.00 0.00 H new ATOM 0 HD3 PRO A 91 18.274 -13.316 11.203 1.00 0.00 H new ATOM 1405 N LYS A 92 21.612 -11.451 7.711 1.00 0.00 N ATOM 1406 CA LYS A 92 21.991 -11.375 6.310 1.00 0.00 C ATOM 1407 C LYS A 92 21.098 -12.310 5.493 1.00 0.00 C ATOM 1408 O LYS A 92 21.434 -13.477 5.294 1.00 0.00 O ATOM 1409 CB LYS A 92 23.487 -11.651 6.144 1.00 0.00 C ATOM 1410 CG LYS A 92 23.981 -11.187 4.772 1.00 0.00 C ATOM 1411 CD LYS A 92 24.329 -9.697 4.790 1.00 0.00 C ATOM 1412 CE LYS A 92 23.317 -8.888 3.975 1.00 0.00 C ATOM 1413 NZ LYS A 92 22.942 -7.651 4.696 1.00 0.00 N ATOM 0 H LYS A 92 21.471 -10.548 8.164 1.00 0.00 H new ATOM 0 HA LYS A 92 21.832 -10.367 5.926 1.00 0.00 H new ATOM 0 HB2 LYS A 92 24.044 -11.138 6.928 1.00 0.00 H new ATOM 0 HB3 LYS A 92 23.679 -12.717 6.262 1.00 0.00 H new ATOM 0 HG2 LYS A 92 24.858 -11.766 4.483 1.00 0.00 H new ATOM 0 HG3 LYS A 92 23.213 -11.376 4.022 1.00 0.00 H new ATOM 0 HD2 LYS A 92 24.345 -9.336 5.818 1.00 0.00 H new ATOM 0 HD3 LYS A 92 25.330 -9.549 4.384 1.00 0.00 H new ATOM 0 HE2 LYS A 92 23.742 -8.635 3.004 1.00 0.00 H new ATOM 0 HE3 LYS A 92 22.428 -9.490 3.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 22.255 -7.114 4.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 22.517 -7.899 5.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 23.790 -7.070 4.853 1.00 0.00 H new ATOM 1427 N PRO A 93 19.949 -11.749 5.029 1.00 0.00 N ATOM 1428 CA PRO A 93 19.006 -12.521 4.238 1.00 0.00 C ATOM 1429 C PRO A 93 19.523 -12.723 2.812 1.00 0.00 C ATOM 1430 O PRO A 93 20.216 -11.863 2.271 1.00 0.00 O ATOM 1431 CB PRO A 93 17.709 -11.731 4.293 1.00 0.00 C ATOM 1432 CG PRO A 93 18.094 -10.324 4.719 1.00 0.00 C ATOM 1433 CD PRO A 93 19.520 -10.371 5.245 1.00 0.00 C ATOM 0 HA PRO A 93 18.860 -13.530 4.624 1.00 0.00 H new ATOM 0 HB2 PRO A 93 17.215 -11.723 3.321 1.00 0.00 H new ATOM 0 HB3 PRO A 93 17.011 -12.176 5.002 1.00 0.00 H new ATOM 0 HG2 PRO A 93 18.020 -9.636 3.877 1.00 0.00 H new ATOM 0 HG3 PRO A 93 17.415 -9.959 5.489 1.00 0.00 H new ATOM 0 HD2 PRO A 93 20.162 -9.668 4.713 1.00 0.00 H new ATOM 0 HD3 PRO A 93 19.562 -10.104 6.301 1.00 0.00 H new TER 1441 PRO A 93