USER MOD reduce.3.24.130724 H: found=0, std=0, add=1125, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1125 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 126 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 99 TYR OH : rot -39:sc= 0.37 USER MOD Set 2.2: A 103 MET CE :methyl 172:sc= 0 (180deg=-0.053) USER MOD Set 2.3: A 110 TYR OH : rot -72:sc= 0.221 USER MOD Set 3.1: A 86 THR OG1 : rot -42:sc= 0.972 USER MOD Set 3.2: A 104 ASN : amide:sc= 1.09 K(o=2.1,f=-5.7!) USER MOD Set 4.1: A 15 TYR OH : rot -125:sc= 1.2 USER MOD Set 4.2: A 114 LYS NZ :NH3+ 176:sc= 1.19 (180deg=1.1) USER MOD Set 5.1: A 11 THR OG1 : rot 38:sc= 1.26 USER MOD Set 5.2: A 76 HIS : no HD1:sc= -1.61! C(o=-0.35!,f=-4.3!) USER MOD Set 6.1: A 10 TYR OH : rot 151:sc= 0.00121 USER MOD Set 6.2: A 121 ASN : amide:sc= 0.00324 X(o=0.0045,f=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -161:sc= 1.36 (180deg=0.337) USER MOD Single : A 5 THR OG1 : rot -151:sc= 0.29 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0.00337 USER MOD Single : A 17 ASN : amide:sc= -1.09 K(o=-1.1,f=-0.011) USER MOD Single : A 19 GLN : amide:sc= -0.662 X(o=-0.66,f=-0.48) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -167:sc= 1.28 (180deg=1.15) USER MOD Single : A 31 LYS NZ :NH3+ -147:sc= 1.6 (180deg=1.17) USER MOD Single : A 33 HIS : no HD1:sc= -0.0416 X(o=-0.042,f=-0.2) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc=-0.00231 K(o=-0.0023,f=-0.94) USER MOD Single : A 47 THR OG1 : rot 77:sc= 1.27 USER MOD Single : A 48 MET CE :methyl 160:sc= -0.171 (180deg=-0.818) USER MOD Single : A 50 ASN : amide:sc= -0.354 X(o=-0.35,f=-0.28) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.705 K(o=-0.71,f=-5.2!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 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 Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot -73:sc= 0.183 USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= -2.06! K(o=-2.1!,f=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot -170:sc= 0.0729 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 119 SER OG : rot -44:sc= 0.585 USER MOD Single : A 124 ASN : amide:sc= 0.899 K(o=0.9,f=-4.5!) USER MOD Single : A 129 MET CE :methyl -129:sc= -1.21 (180deg=-3.04!) USER MOD Single : A 132 LYS NZ :NH3+ 170:sc= -0.232 (180deg=-0.512) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 142 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 143 HIS : no HD1:sc= -0.146 X(o=-0.15,f=-0.019) USER MOD Single : A 144 HIS : no HD1:sc= 0 X(o=0,f=-0.006) USER MOD Single : A 145 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 146 HIS : no HD1:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 147 HIS : no HD1:sc= -0.0928 X(o=-0.093,f=-0.0043) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.261 15.827 3.277 1.00 62.33 N ATOM 2 CA MET A 1 -18.008 15.514 2.562 1.00 52.01 C ATOM 3 C MET A 1 -18.048 16.112 1.163 1.00 34.13 C ATOM 4 O MET A 1 -19.110 16.196 0.541 1.00 33.32 O ATOM 5 CB MET A 1 -17.778 13.997 2.492 1.00 43.21 C ATOM 6 CG MET A 1 -18.755 13.248 1.595 1.00 25.22 C ATOM 7 SD MET A 1 -20.439 13.236 2.240 1.00 62.54 S ATOM 8 CE MET A 1 -21.293 12.355 0.934 1.00 55.53 C ATOM 0 H1 MET A 1 -19.115 15.712 4.300 1.00 62.33 H new ATOM 0 H2 MET A 1 -19.540 16.808 3.076 1.00 62.33 H new ATOM 0 H3 MET A 1 -20.012 15.182 2.960 1.00 62.33 H new ATOM 0 HA MET A 1 -17.176 15.953 3.113 1.00 52.01 H new ATOM 0 HB2 MET A 1 -16.764 13.813 2.137 1.00 43.21 H new ATOM 0 HB3 MET A 1 -17.842 13.586 3.500 1.00 43.21 H new ATOM 0 HG2 MET A 1 -18.754 13.705 0.605 1.00 25.22 H new ATOM 0 HG3 MET A 1 -18.412 12.221 1.472 1.00 25.22 H new ATOM 0 HE1 MET A 1 -22.350 12.266 1.186 1.00 55.53 H new ATOM 0 HE2 MET A 1 -21.188 12.902 -0.003 1.00 55.53 H new ATOM 0 HE3 MET A 1 -20.861 11.360 0.823 1.00 55.53 H new ATOM 20 N ASP A 2 -16.896 16.543 0.681 1.00 34.22 N ATOM 21 CA ASP A 2 -16.797 17.174 -0.629 1.00 14.05 C ATOM 22 C ASP A 2 -15.733 16.488 -1.463 1.00 30.01 C ATOM 23 O ASP A 2 -15.358 16.972 -2.534 1.00 40.41 O ATOM 24 CB ASP A 2 -16.454 18.661 -0.497 1.00 74.24 C ATOM 25 CG ASP A 2 -17.531 19.452 0.210 1.00 64.42 C ATOM 26 OD1 ASP A 2 -18.509 19.854 -0.451 1.00 61.24 O ATOM 27 OD2 ASP A 2 -17.403 19.671 1.432 1.00 71.03 O ATOM 0 H ASP A 2 -16.009 16.468 1.179 1.00 34.22 H new ATOM 0 HA ASP A 2 -17.765 17.078 -1.120 1.00 14.05 H new ATOM 0 HB2 ASP A 2 -15.516 18.765 0.048 1.00 74.24 H new ATOM 0 HB3 ASP A 2 -16.294 19.081 -1.490 1.00 74.24 H new ATOM 32 N ASP A 3 -15.248 15.358 -0.970 1.00 32.15 N ATOM 33 CA ASP A 3 -14.187 14.632 -1.644 1.00 42.33 C ATOM 34 C ASP A 3 -14.729 13.832 -2.823 1.00 1.34 C ATOM 35 O ASP A 3 -15.038 12.646 -2.717 1.00 41.32 O ATOM 36 CB ASP A 3 -13.412 13.733 -0.662 1.00 44.30 C ATOM 37 CG ASP A 3 -14.288 12.750 0.091 1.00 74.14 C ATOM 38 OD1 ASP A 3 -15.178 13.194 0.846 1.00 21.11 O ATOM 39 OD2 ASP A 3 -14.065 11.528 -0.035 1.00 33.14 O ATOM 0 H ASP A 3 -15.574 14.926 -0.105 1.00 32.15 H new ATOM 0 HA ASP A 3 -13.484 15.365 -2.040 1.00 42.33 H new ATOM 0 HB2 ASP A 3 -12.652 13.179 -1.213 1.00 44.30 H new ATOM 0 HB3 ASP A 3 -12.888 14.363 0.057 1.00 44.30 H new ATOM 44 N ARG A 4 -14.910 14.525 -3.934 1.00 34.15 N ATOM 45 CA ARG A 4 -15.166 13.871 -5.207 1.00 13.33 C ATOM 46 C ARG A 4 -13.869 13.840 -5.991 1.00 73.12 C ATOM 47 O ARG A 4 -13.821 13.415 -7.147 1.00 64.44 O ATOM 48 CB ARG A 4 -16.255 14.590 -6.011 1.00 24.40 C ATOM 49 CG ARG A 4 -15.959 16.051 -6.298 1.00 25.54 C ATOM 50 CD ARG A 4 -16.927 16.613 -7.324 1.00 3.33 C ATOM 51 NE ARG A 4 -16.844 18.068 -7.417 1.00 33.32 N ATOM 52 CZ ARG A 4 -16.624 18.738 -8.550 1.00 72.40 C ATOM 53 NH1 ARG A 4 -16.369 18.090 -9.678 1.00 33.13 N ATOM 54 NH2 ARG A 4 -16.654 20.063 -8.556 1.00 51.32 N ATOM 0 H ARG A 4 -14.884 15.544 -3.981 1.00 34.15 H new ATOM 0 HA ARG A 4 -15.527 12.860 -5.020 1.00 13.33 H new ATOM 0 HB2 ARG A 4 -16.396 14.068 -6.957 1.00 24.40 H new ATOM 0 HB3 ARG A 4 -17.197 14.523 -5.466 1.00 24.40 H new ATOM 0 HG2 ARG A 4 -16.027 16.627 -5.375 1.00 25.54 H new ATOM 0 HG3 ARG A 4 -14.937 16.153 -6.663 1.00 25.54 H new ATOM 0 HD2 ARG A 4 -16.716 16.175 -8.299 1.00 3.33 H new ATOM 0 HD3 ARG A 4 -17.944 16.324 -7.059 1.00 3.33 H new ATOM 0 HE ARG A 4 -16.962 18.608 -6.560 1.00 33.32 H new ATOM 0 HH11 ARG A 4 -16.340 17.070 -9.685 1.00 33.13 H new ATOM 0 HH12 ARG A 4 -16.202 18.611 -10.539 1.00 33.13 H new ATOM 0 HH21 ARG A 4 -16.846 20.573 -7.693 1.00 51.32 H new ATOM 0 HH22 ARG A 4 -16.486 20.573 -9.423 1.00 51.32 H new ATOM 68 N THR A 5 -12.824 14.324 -5.334 1.00 63.54 N ATOM 69 CA THR A 5 -11.488 14.331 -5.876 1.00 70.41 C ATOM 70 C THR A 5 -10.976 12.904 -6.019 1.00 33.34 C ATOM 71 O THR A 5 -11.094 12.103 -5.089 1.00 34.52 O ATOM 72 CB THR A 5 -10.553 15.133 -4.951 1.00 70.15 C ATOM 73 OG1 THR A 5 -11.290 15.577 -3.796 1.00 61.22 O ATOM 74 CG2 THR A 5 -9.973 16.336 -5.674 1.00 53.13 C ATOM 0 H THR A 5 -12.889 14.726 -4.399 1.00 63.54 H new ATOM 0 HA THR A 5 -11.506 14.801 -6.860 1.00 70.41 H new ATOM 0 HB THR A 5 -9.731 14.486 -4.645 1.00 70.15 H new ATOM 0 HG1 THR A 5 -10.899 16.410 -3.459 1.00 61.22 H new ATOM 0 HG21 THR A 5 -9.317 16.885 -4.999 1.00 53.13 H new ATOM 0 HG22 THR A 5 -9.403 16.000 -6.540 1.00 53.13 H new ATOM 0 HG23 THR A 5 -10.782 16.988 -6.003 1.00 53.13 H new ATOM 82 N GLU A 6 -10.432 12.585 -7.187 1.00 33.32 N ATOM 83 CA GLU A 6 -9.935 11.244 -7.453 1.00 73.42 C ATOM 84 C GLU A 6 -8.862 10.852 -6.437 1.00 22.43 C ATOM 85 O GLU A 6 -8.064 11.689 -6.005 1.00 11.13 O ATOM 86 CB GLU A 6 -9.422 11.143 -8.890 1.00 65.13 C ATOM 87 CG GLU A 6 -8.459 12.248 -9.291 1.00 44.12 C ATOM 88 CD GLU A 6 -8.281 12.334 -10.791 1.00 74.25 C ATOM 89 OE1 GLU A 6 -7.838 11.339 -11.399 1.00 34.55 O ATOM 90 OE2 GLU A 6 -8.600 13.389 -11.373 1.00 31.23 O ATOM 0 H GLU A 6 -10.325 13.237 -7.964 1.00 33.32 H new ATOM 0 HA GLU A 6 -10.757 10.536 -7.344 1.00 73.42 H new ATOM 0 HB2 GLU A 6 -8.926 10.181 -9.019 1.00 65.13 H new ATOM 0 HB3 GLU A 6 -10.274 11.156 -9.569 1.00 65.13 H new ATOM 0 HG2 GLU A 6 -8.827 13.203 -8.915 1.00 44.12 H new ATOM 0 HG3 GLU A 6 -7.491 12.072 -8.821 1.00 44.12 H new ATOM 97 N TYR A 7 -8.858 9.580 -6.063 1.00 4.21 N ATOM 98 CA TYR A 7 -8.086 9.112 -4.920 1.00 14.05 C ATOM 99 C TYR A 7 -6.590 9.078 -5.196 1.00 50.30 C ATOM 100 O TYR A 7 -6.137 8.546 -6.213 1.00 21.42 O ATOM 101 CB TYR A 7 -8.564 7.723 -4.500 1.00 3.33 C ATOM 102 CG TYR A 7 -9.888 7.718 -3.765 1.00 75.00 C ATOM 103 CD1 TYR A 7 -11.055 8.176 -4.369 1.00 63.05 C ATOM 104 CD2 TYR A 7 -9.967 7.251 -2.459 1.00 64.22 C ATOM 105 CE1 TYR A 7 -12.259 8.170 -3.688 1.00 1.41 C ATOM 106 CE2 TYR A 7 -11.165 7.242 -1.776 1.00 31.54 C ATOM 107 CZ TYR A 7 -12.307 7.701 -2.393 1.00 31.05 C ATOM 108 OH TYR A 7 -13.497 7.700 -1.704 1.00 13.45 O ATOM 0 H TYR A 7 -9.385 8.848 -6.539 1.00 4.21 H new ATOM 0 HA TYR A 7 -8.250 9.825 -4.112 1.00 14.05 H new ATOM 0 HB2 TYR A 7 -8.652 7.097 -5.388 1.00 3.33 H new ATOM 0 HB3 TYR A 7 -7.806 7.267 -3.863 1.00 3.33 H new ATOM 0 HD1 TYR A 7 -11.020 8.542 -5.385 1.00 63.05 H new ATOM 0 HD2 TYR A 7 -9.075 6.889 -1.970 1.00 64.22 H new ATOM 0 HE1 TYR A 7 -13.156 8.531 -4.168 1.00 1.41 H new ATOM 0 HE2 TYR A 7 -11.207 6.876 -0.761 1.00 31.54 H new ATOM 0 HH TYR A 7 -13.354 7.336 -0.805 1.00 13.45 H new ATOM 118 N ASP A 8 -5.834 9.639 -4.265 1.00 13.54 N ATOM 119 CA ASP A 8 -4.383 9.619 -4.330 1.00 52.33 C ATOM 120 C ASP A 8 -3.835 8.773 -3.195 1.00 63.22 C ATOM 121 O ASP A 8 -4.234 8.937 -2.044 1.00 43.25 O ATOM 122 CB ASP A 8 -3.804 11.035 -4.227 1.00 11.21 C ATOM 123 CG ASP A 8 -4.236 11.938 -5.362 1.00 4.34 C ATOM 124 OD1 ASP A 8 -3.747 11.750 -6.495 1.00 22.03 O ATOM 125 OD2 ASP A 8 -5.062 12.847 -5.124 1.00 62.34 O ATOM 0 H ASP A 8 -6.208 10.119 -3.446 1.00 13.54 H new ATOM 0 HA ASP A 8 -4.092 9.194 -5.291 1.00 52.33 H new ATOM 0 HB2 ASP A 8 -4.112 11.479 -3.280 1.00 11.21 H new ATOM 0 HB3 ASP A 8 -2.716 10.976 -4.212 1.00 11.21 H new ATOM 130 N VAL A 9 -2.940 7.857 -3.513 1.00 22.41 N ATOM 131 CA VAL A 9 -2.306 7.049 -2.488 1.00 73.54 C ATOM 132 C VAL A 9 -0.801 7.244 -2.547 1.00 75.33 C ATOM 133 O VAL A 9 -0.144 6.839 -3.508 1.00 24.41 O ATOM 134 CB VAL A 9 -2.634 5.545 -2.641 1.00 50.25 C ATOM 135 CG1 VAL A 9 -1.991 4.736 -1.522 1.00 33.40 C ATOM 136 CG2 VAL A 9 -4.142 5.318 -2.673 1.00 42.44 C ATOM 0 H VAL A 9 -2.637 7.654 -4.466 1.00 22.41 H new ATOM 0 HA VAL A 9 -2.696 7.377 -1.524 1.00 73.54 H new ATOM 0 HB VAL A 9 -2.220 5.204 -3.590 1.00 50.25 H new ATOM 0 HG11 VAL A 9 -2.235 3.681 -1.649 1.00 33.40 H new ATOM 0 HG12 VAL A 9 -0.909 4.865 -1.555 1.00 33.40 H new ATOM 0 HG13 VAL A 9 -2.368 5.082 -0.560 1.00 33.40 H new ATOM 0 HG21 VAL A 9 -4.347 4.253 -2.781 1.00 42.44 H new ATOM 0 HG22 VAL A 9 -4.584 5.680 -1.745 1.00 42.44 H new ATOM 0 HG23 VAL A 9 -4.573 5.858 -3.516 1.00 42.44 H new ATOM 146 N TYR A 10 -0.257 7.876 -1.526 1.00 4.23 N ATOM 147 CA TYR A 10 1.170 8.097 -1.466 1.00 64.21 C ATOM 148 C TYR A 10 1.812 7.087 -0.538 1.00 32.42 C ATOM 149 O TYR A 10 1.565 7.071 0.668 1.00 45.33 O ATOM 150 CB TYR A 10 1.484 9.531 -1.037 1.00 53.01 C ATOM 151 CG TYR A 10 1.200 10.544 -2.124 1.00 54.33 C ATOM 152 CD1 TYR A 10 -0.052 11.128 -2.247 1.00 53.33 C ATOM 153 CD2 TYR A 10 2.183 10.900 -3.037 1.00 1.31 C ATOM 154 CE1 TYR A 10 -0.318 12.042 -3.246 1.00 21.35 C ATOM 155 CE2 TYR A 10 1.925 11.813 -4.041 1.00 34.23 C ATOM 156 CZ TYR A 10 0.672 12.381 -4.141 1.00 72.33 C ATOM 157 OH TYR A 10 0.410 13.288 -5.141 1.00 3.13 O ATOM 0 H TYR A 10 -0.780 8.243 -0.731 1.00 4.23 H new ATOM 0 HA TYR A 10 1.589 7.959 -2.463 1.00 64.21 H new ATOM 0 HB2 TYR A 10 0.895 9.778 -0.154 1.00 53.01 H new ATOM 0 HB3 TYR A 10 2.533 9.598 -0.750 1.00 53.01 H new ATOM 0 HD1 TYR A 10 -0.832 10.863 -1.549 1.00 53.33 H new ATOM 0 HD2 TYR A 10 3.165 10.456 -2.961 1.00 1.31 H new ATOM 0 HE1 TYR A 10 -1.298 12.489 -3.326 1.00 21.35 H new ATOM 0 HE2 TYR A 10 2.700 12.081 -4.744 1.00 34.23 H new ATOM 0 HH TYR A 10 1.233 13.767 -5.372 1.00 3.13 H new ATOM 167 N THR A 11 2.623 6.232 -1.126 1.00 32.25 N ATOM 168 CA THR A 11 3.258 5.157 -0.403 1.00 3.44 C ATOM 169 C THR A 11 4.686 4.960 -0.906 1.00 70.23 C ATOM 170 O THR A 11 4.926 4.289 -1.910 1.00 71.54 O ATOM 171 CB THR A 11 2.430 3.849 -0.522 1.00 62.12 C ATOM 172 OG1 THR A 11 3.178 2.724 -0.046 1.00 52.21 O ATOM 173 CG2 THR A 11 1.985 3.602 -1.957 1.00 10.05 C ATOM 0 H THR A 11 2.858 6.265 -2.118 1.00 32.25 H new ATOM 0 HA THR A 11 3.302 5.421 0.654 1.00 3.44 H new ATOM 0 HB THR A 11 1.542 3.971 0.099 1.00 62.12 H new ATOM 0 HG1 THR A 11 3.705 2.989 0.736 1.00 52.21 H new ATOM 0 HG21 THR A 11 1.408 2.679 -2.005 1.00 10.05 H new ATOM 0 HG22 THR A 11 1.367 4.434 -2.295 1.00 10.05 H new ATOM 0 HG23 THR A 11 2.861 3.516 -2.600 1.00 10.05 H new ATOM 181 N ASP A 12 5.626 5.594 -0.224 1.00 63.12 N ATOM 182 CA ASP A 12 7.031 5.505 -0.594 1.00 33.43 C ATOM 183 C ASP A 12 7.705 4.465 0.293 1.00 4.14 C ATOM 184 O ASP A 12 7.021 3.695 0.972 1.00 1.21 O ATOM 185 CB ASP A 12 7.710 6.874 -0.434 1.00 54.23 C ATOM 186 CG ASP A 12 8.857 7.091 -1.408 1.00 1.30 C ATOM 187 OD1 ASP A 12 9.804 6.276 -1.429 1.00 63.44 O ATOM 188 OD2 ASP A 12 8.822 8.094 -2.154 1.00 1.33 O ATOM 0 H ASP A 12 5.442 6.178 0.592 1.00 63.12 H new ATOM 0 HA ASP A 12 7.121 5.205 -1.638 1.00 33.43 H new ATOM 0 HB2 ASP A 12 6.968 7.659 -0.576 1.00 54.23 H new ATOM 0 HB3 ASP A 12 8.084 6.970 0.585 1.00 54.23 H new ATOM 193 N GLY A 13 9.027 4.441 0.290 1.00 2.13 N ATOM 194 CA GLY A 13 9.751 3.478 1.090 1.00 61.50 C ATOM 195 C GLY A 13 9.539 2.064 0.595 1.00 33.11 C ATOM 196 O GLY A 13 8.897 1.251 1.262 1.00 21.34 O ATOM 0 H GLY A 13 9.614 5.073 -0.254 1.00 2.13 H new ATOM 0 HA2 GLY A 13 10.815 3.715 1.069 1.00 61.50 H new ATOM 0 HA3 GLY A 13 9.428 3.552 2.128 1.00 61.50 H new ATOM 200 N SER A 14 10.047 1.775 -0.594 1.00 1.11 N ATOM 201 CA SER A 14 9.943 0.437 -1.149 1.00 64.41 C ATOM 202 C SER A 14 10.972 -0.484 -0.495 1.00 13.44 C ATOM 203 O SER A 14 10.652 -1.224 0.437 1.00 42.22 O ATOM 204 CB SER A 14 10.121 0.472 -2.670 1.00 44.35 C ATOM 205 OG SER A 14 9.160 1.325 -3.276 1.00 24.44 O ATOM 0 H SER A 14 10.533 2.446 -1.189 1.00 1.11 H new ATOM 0 HA SER A 14 8.949 0.043 -0.938 1.00 64.41 H new ATOM 0 HB2 SER A 14 11.125 0.818 -2.914 1.00 44.35 H new ATOM 0 HB3 SER A 14 10.024 -0.536 -3.074 1.00 44.35 H new ATOM 0 HG SER A 14 9.295 1.332 -4.247 1.00 24.44 H new ATOM 211 N TYR A 15 12.203 -0.438 -0.985 1.00 3.04 N ATOM 212 CA TYR A 15 13.297 -1.168 -0.369 1.00 61.03 C ATOM 213 C TYR A 15 14.601 -0.399 -0.525 1.00 62.20 C ATOM 214 O TYR A 15 14.953 0.029 -1.625 1.00 74.31 O ATOM 215 CB TYR A 15 13.415 -2.596 -0.932 1.00 55.05 C ATOM 216 CG TYR A 15 13.260 -2.713 -2.433 1.00 64.23 C ATOM 217 CD1 TYR A 15 14.350 -2.592 -3.286 1.00 22.11 C ATOM 218 CD2 TYR A 15 12.015 -2.966 -2.995 1.00 75.40 C ATOM 219 CE1 TYR A 15 14.201 -2.716 -4.655 1.00 44.52 C ATOM 220 CE2 TYR A 15 11.859 -3.090 -4.359 1.00 23.52 C ATOM 221 CZ TYR A 15 12.954 -2.964 -5.184 1.00 33.11 C ATOM 222 OH TYR A 15 12.796 -3.090 -6.544 1.00 20.13 O ATOM 0 H TYR A 15 12.467 0.100 -1.810 1.00 3.04 H new ATOM 0 HA TYR A 15 13.082 -1.264 0.695 1.00 61.03 H new ATOM 0 HB2 TYR A 15 14.387 -3.001 -0.651 1.00 55.05 H new ATOM 0 HB3 TYR A 15 12.660 -3.221 -0.455 1.00 55.05 H new ATOM 0 HD1 TYR A 15 15.329 -2.398 -2.873 1.00 22.11 H new ATOM 0 HD2 TYR A 15 11.154 -3.067 -2.352 1.00 75.40 H new ATOM 0 HE1 TYR A 15 15.058 -2.619 -5.306 1.00 44.52 H new ATOM 0 HE2 TYR A 15 10.883 -3.285 -4.778 1.00 23.52 H new ATOM 0 HH TYR A 15 12.109 -2.463 -6.853 1.00 20.13 H new ATOM 232 N VAL A 16 15.300 -0.213 0.584 1.00 45.53 N ATOM 233 CA VAL A 16 16.566 0.500 0.589 1.00 22.51 C ATOM 234 C VAL A 16 17.697 -0.449 0.968 1.00 51.31 C ATOM 235 O VAL A 16 17.634 -1.131 1.991 1.00 13.33 O ATOM 236 CB VAL A 16 16.536 1.715 1.552 1.00 35.42 C ATOM 237 CG1 VAL A 16 16.152 1.296 2.965 1.00 45.35 C ATOM 238 CG2 VAL A 16 17.878 2.439 1.553 1.00 51.12 C ATOM 0 H VAL A 16 15.007 -0.550 1.501 1.00 45.53 H new ATOM 0 HA VAL A 16 16.739 0.883 -0.417 1.00 22.51 H new ATOM 0 HB VAL A 16 15.773 2.404 1.190 1.00 35.42 H new ATOM 0 HG11 VAL A 16 16.141 2.172 3.614 1.00 45.35 H new ATOM 0 HG12 VAL A 16 15.162 0.840 2.953 1.00 45.35 H new ATOM 0 HG13 VAL A 16 16.878 0.575 3.341 1.00 45.35 H new ATOM 0 HG21 VAL A 16 17.833 3.288 2.236 1.00 51.12 H new ATOM 0 HG22 VAL A 16 18.661 1.754 1.877 1.00 51.12 H new ATOM 0 HG23 VAL A 16 18.101 2.794 0.547 1.00 51.12 H new ATOM 248 N ASN A 17 18.710 -0.514 0.106 1.00 14.31 N ATOM 249 CA ASN A 17 19.854 -1.410 0.294 1.00 74.03 C ATOM 250 C ASN A 17 19.401 -2.867 0.403 1.00 1.02 C ATOM 251 O ASN A 17 20.087 -3.699 0.997 1.00 45.12 O ATOM 252 CB ASN A 17 20.653 -1.020 1.547 1.00 12.20 C ATOM 253 CG ASN A 17 21.385 0.306 1.410 1.00 0.33 C ATOM 254 OD1 ASN A 17 21.525 1.053 2.377 1.00 61.43 O ATOM 255 ND2 ASN A 17 21.876 0.602 0.217 1.00 22.05 N ATOM 0 H ASN A 17 18.763 0.051 -0.742 1.00 14.31 H new ATOM 0 HA ASN A 17 20.496 -1.309 -0.581 1.00 74.03 H new ATOM 0 HB2 ASN A 17 19.975 -0.966 2.399 1.00 12.20 H new ATOM 0 HB3 ASN A 17 21.377 -1.805 1.766 1.00 12.20 H new ATOM 0 HD21 ASN A 17 22.389 1.473 0.078 1.00 22.05 H new ATOM 0 HD22 ASN A 17 21.741 -0.041 -0.564 1.00 22.05 H new ATOM 262 N GLY A 18 18.261 -3.175 -0.206 1.00 53.53 N ATOM 263 CA GLY A 18 17.731 -4.526 -0.169 1.00 53.30 C ATOM 264 C GLY A 18 16.666 -4.707 0.898 1.00 70.24 C ATOM 265 O GLY A 18 15.793 -5.567 0.773 1.00 31.04 O ATOM 0 H GLY A 18 17.691 -2.509 -0.728 1.00 53.53 H new ATOM 0 HA2 GLY A 18 17.310 -4.774 -1.143 1.00 53.30 H new ATOM 0 HA3 GLY A 18 18.546 -5.227 0.013 1.00 53.30 H new ATOM 269 N GLN A 19 16.720 -3.885 1.940 1.00 72.43 N ATOM 270 CA GLN A 19 15.757 -3.973 3.032 1.00 33.33 C ATOM 271 C GLN A 19 14.433 -3.354 2.609 1.00 3.43 C ATOM 272 O GLN A 19 14.392 -2.198 2.198 1.00 11.44 O ATOM 273 CB GLN A 19 16.272 -3.248 4.284 1.00 3.25 C ATOM 274 CG GLN A 19 17.444 -3.921 4.991 1.00 24.24 C ATOM 275 CD GLN A 19 18.733 -3.892 4.191 1.00 1.44 C ATOM 276 OE1 GLN A 19 19.501 -2.932 4.265 1.00 23.34 O ATOM 277 NE2 GLN A 19 18.995 -4.950 3.444 1.00 4.22 N ATOM 0 H GLN A 19 17.419 -3.151 2.052 1.00 72.43 H new ATOM 0 HA GLN A 19 15.616 -5.027 3.269 1.00 33.33 H new ATOM 0 HB2 GLN A 19 16.570 -2.238 4.002 1.00 3.25 H new ATOM 0 HB3 GLN A 19 15.449 -3.151 4.992 1.00 3.25 H new ATOM 0 HG2 GLN A 19 17.610 -3.430 5.950 1.00 24.24 H new ATOM 0 HG3 GLN A 19 17.182 -4.957 5.205 1.00 24.24 H new ATOM 0 HE21 GLN A 19 18.334 -5.726 3.409 1.00 4.22 H new ATOM 0 HE22 GLN A 19 19.859 -4.991 2.903 1.00 4.22 H new ATOM 286 N TYR A 20 13.352 -4.108 2.727 1.00 23.03 N ATOM 287 CA TYR A 20 12.047 -3.621 2.296 1.00 15.32 C ATOM 288 C TYR A 20 11.165 -3.307 3.497 1.00 41.42 C ATOM 289 O TYR A 20 11.278 -3.942 4.548 1.00 75.33 O ATOM 290 CB TYR A 20 11.354 -4.637 1.378 1.00 52.20 C ATOM 291 CG TYR A 20 10.710 -5.799 2.105 1.00 44.52 C ATOM 292 CD1 TYR A 20 11.474 -6.839 2.618 1.00 24.22 C ATOM 293 CD2 TYR A 20 9.331 -5.848 2.280 1.00 70.23 C ATOM 294 CE1 TYR A 20 10.883 -7.896 3.281 1.00 41.02 C ATOM 295 CE2 TYR A 20 8.732 -6.900 2.943 1.00 32.12 C ATOM 296 CZ TYR A 20 9.511 -7.920 3.445 1.00 21.44 C ATOM 297 OH TYR A 20 8.915 -8.970 4.106 1.00 1.23 O ATOM 0 H TYR A 20 13.349 -5.052 3.114 1.00 23.03 H new ATOM 0 HA TYR A 20 12.205 -2.703 1.731 1.00 15.32 H new ATOM 0 HB2 TYR A 20 10.591 -4.121 0.795 1.00 52.20 H new ATOM 0 HB3 TYR A 20 12.086 -5.027 0.670 1.00 52.20 H new ATOM 0 HD1 TYR A 20 12.547 -6.821 2.496 1.00 24.22 H new ATOM 0 HD2 TYR A 20 8.718 -5.049 1.890 1.00 70.23 H new ATOM 0 HE1 TYR A 20 11.490 -8.700 3.670 1.00 41.02 H new ATOM 0 HE2 TYR A 20 7.659 -6.924 3.068 1.00 32.12 H new ATOM 0 HH TYR A 20 7.945 -8.831 4.134 1.00 1.23 H new ATOM 307 N ALA A 21 10.288 -2.332 3.330 1.00 60.52 N ATOM 308 CA ALA A 21 9.378 -1.929 4.388 1.00 73.31 C ATOM 309 C ALA A 21 8.049 -1.500 3.790 1.00 42.31 C ATOM 310 O ALA A 21 7.929 -1.358 2.571 1.00 21.42 O ATOM 311 CB ALA A 21 9.981 -0.800 5.216 1.00 23.41 C ATOM 0 H ALA A 21 10.187 -1.801 2.465 1.00 60.52 H new ATOM 0 HA ALA A 21 9.210 -2.780 5.048 1.00 73.31 H new ATOM 0 HB1 ALA A 21 9.283 -0.513 6.003 1.00 23.41 H new ATOM 0 HB2 ALA A 21 10.915 -1.137 5.665 1.00 23.41 H new ATOM 0 HB3 ALA A 21 10.176 0.059 4.573 1.00 23.41 H new ATOM 317 N TRP A 22 7.050 -1.312 4.634 1.00 63.24 N ATOM 318 CA TRP A 22 5.767 -0.834 4.165 1.00 23.13 C ATOM 319 C TRP A 22 5.394 0.458 4.877 1.00 14.23 C ATOM 320 O TRP A 22 5.461 0.554 6.103 1.00 54.33 O ATOM 321 CB TRP A 22 4.673 -1.902 4.327 1.00 72.34 C ATOM 322 CG TRP A 22 4.509 -2.437 5.721 1.00 55.44 C ATOM 323 CD1 TRP A 22 5.249 -3.418 6.319 1.00 41.43 C ATOM 324 CD2 TRP A 22 3.519 -2.041 6.679 1.00 54.34 C ATOM 325 NE1 TRP A 22 4.783 -3.649 7.591 1.00 25.22 N ATOM 326 CE2 TRP A 22 3.724 -2.815 7.835 1.00 72.21 C ATOM 327 CE3 TRP A 22 2.484 -1.103 6.673 1.00 72.43 C ATOM 328 CZ2 TRP A 22 2.931 -2.682 8.970 1.00 4.25 C ATOM 329 CZ3 TRP A 22 1.700 -0.970 7.802 1.00 44.23 C ATOM 330 CH2 TRP A 22 1.928 -1.756 8.937 1.00 42.04 C ATOM 0 H TRP A 22 7.103 -1.482 5.638 1.00 63.24 H new ATOM 0 HA TRP A 22 5.850 -0.625 3.098 1.00 23.13 H new ATOM 0 HB2 TRP A 22 3.722 -1.479 4.002 1.00 72.34 H new ATOM 0 HB3 TRP A 22 4.897 -2.734 3.659 1.00 72.34 H new ATOM 0 HD1 TRP A 22 6.078 -3.936 5.860 1.00 41.43 H new ATOM 0 HE1 TRP A 22 5.164 -4.331 8.247 1.00 25.22 H new ATOM 0 HE3 TRP A 22 2.300 -0.493 5.801 1.00 72.43 H new ATOM 0 HZ2 TRP A 22 3.102 -3.290 9.846 1.00 4.25 H new ATOM 0 HZ3 TRP A 22 0.897 -0.247 7.809 1.00 44.23 H new ATOM 0 HH2 TRP A 22 1.298 -1.628 9.805 1.00 42.04 H new ATOM 341 N ALA A 23 5.027 1.452 4.087 1.00 72.21 N ATOM 342 CA ALA A 23 4.650 2.754 4.598 1.00 2.01 C ATOM 343 C ALA A 23 3.675 3.402 3.634 1.00 54.25 C ATOM 344 O ALA A 23 3.874 3.344 2.421 1.00 33.12 O ATOM 345 CB ALA A 23 5.880 3.624 4.767 1.00 13.11 C ATOM 0 H ALA A 23 4.983 1.377 3.071 1.00 72.21 H new ATOM 0 HA ALA A 23 4.174 2.640 5.572 1.00 2.01 H new ATOM 0 HB1 ALA A 23 5.585 4.600 5.152 1.00 13.11 H new ATOM 0 HB2 ALA A 23 6.567 3.150 5.468 1.00 13.11 H new ATOM 0 HB3 ALA A 23 6.373 3.748 3.803 1.00 13.11 H new ATOM 351 N TYR A 24 2.629 4.013 4.160 1.00 21.21 N ATOM 352 CA TYR A 24 1.596 4.593 3.317 1.00 43.43 C ATOM 353 C TYR A 24 0.860 5.709 4.038 1.00 71.15 C ATOM 354 O TYR A 24 0.799 5.736 5.270 1.00 64.22 O ATOM 355 CB TYR A 24 0.600 3.514 2.872 1.00 53.45 C ATOM 356 CG TYR A 24 -0.054 2.769 4.018 1.00 70.25 C ATOM 357 CD1 TYR A 24 0.528 1.625 4.550 1.00 11.53 C ATOM 358 CD2 TYR A 24 -1.250 3.211 4.571 1.00 75.44 C ATOM 359 CE1 TYR A 24 -0.062 0.945 5.597 1.00 43.43 C ATOM 360 CE2 TYR A 24 -1.845 2.536 5.618 1.00 52.11 C ATOM 361 CZ TYR A 24 -1.246 1.405 6.128 1.00 22.02 C ATOM 362 OH TYR A 24 -1.836 0.729 7.171 1.00 60.21 O ATOM 0 H TYR A 24 2.471 4.121 5.162 1.00 21.21 H new ATOM 0 HA TYR A 24 2.083 5.015 2.438 1.00 43.43 H new ATOM 0 HB2 TYR A 24 -0.176 3.979 2.264 1.00 53.45 H new ATOM 0 HB3 TYR A 24 1.117 2.797 2.234 1.00 53.45 H new ATOM 0 HD1 TYR A 24 1.458 1.261 4.138 1.00 11.53 H new ATOM 0 HD2 TYR A 24 -1.722 4.098 4.175 1.00 75.44 H new ATOM 0 HE1 TYR A 24 0.403 0.056 5.997 1.00 43.43 H new ATOM 0 HE2 TYR A 24 -2.775 2.893 6.035 1.00 52.11 H new ATOM 0 HH TYR A 24 -2.664 1.185 7.429 1.00 60.21 H new ATOM 372 N ALA A 25 0.311 6.625 3.259 1.00 54.53 N ATOM 373 CA ALA A 25 -0.521 7.685 3.792 1.00 24.53 C ATOM 374 C ALA A 25 -1.783 7.826 2.950 1.00 64.45 C ATOM 375 O ALA A 25 -1.709 8.029 1.736 1.00 70.02 O ATOM 376 CB ALA A 25 0.247 9.001 3.833 1.00 12.14 C ATOM 0 H ALA A 25 0.429 6.654 2.246 1.00 54.53 H new ATOM 0 HA ALA A 25 -0.806 7.429 4.812 1.00 24.53 H new ATOM 0 HB1 ALA A 25 -0.395 9.784 4.236 1.00 12.14 H new ATOM 0 HB2 ALA A 25 1.126 8.890 4.468 1.00 12.14 H new ATOM 0 HB3 ALA A 25 0.560 9.271 2.824 1.00 12.14 H new ATOM 382 N PHE A 26 -2.939 7.696 3.589 1.00 12.04 N ATOM 383 CA PHE A 26 -4.212 7.839 2.896 1.00 52.24 C ATOM 384 C PHE A 26 -4.598 9.305 2.810 1.00 10.44 C ATOM 385 O PHE A 26 -5.032 9.909 3.799 1.00 11.32 O ATOM 386 CB PHE A 26 -5.321 7.051 3.600 1.00 33.32 C ATOM 387 CG PHE A 26 -5.341 5.587 3.257 1.00 21.21 C ATOM 388 CD1 PHE A 26 -6.048 5.133 2.154 1.00 5.31 C ATOM 389 CD2 PHE A 26 -4.662 4.665 4.037 1.00 14.03 C ATOM 390 CE1 PHE A 26 -6.078 3.786 1.839 1.00 61.41 C ATOM 391 CE2 PHE A 26 -4.688 3.319 3.723 1.00 72.52 C ATOM 392 CZ PHE A 26 -5.396 2.879 2.624 1.00 14.10 C ATOM 0 H PHE A 26 -3.021 7.492 4.585 1.00 12.04 H new ATOM 0 HA PHE A 26 -4.093 7.435 1.891 1.00 52.24 H new ATOM 0 HB2 PHE A 26 -5.202 7.160 4.678 1.00 33.32 H new ATOM 0 HB3 PHE A 26 -6.285 7.488 3.340 1.00 33.32 H new ATOM 0 HD1 PHE A 26 -6.581 5.838 1.534 1.00 5.31 H new ATOM 0 HD2 PHE A 26 -4.106 5.002 4.900 1.00 14.03 H new ATOM 0 HE1 PHE A 26 -6.635 3.445 0.979 1.00 61.41 H new ATOM 0 HE2 PHE A 26 -4.153 2.611 4.339 1.00 72.52 H new ATOM 0 HZ PHE A 26 -5.416 1.827 2.379 1.00 14.10 H new ATOM 402 N VAL A 27 -4.430 9.870 1.628 1.00 3.41 N ATOM 403 CA VAL A 27 -4.684 11.279 1.410 1.00 42.44 C ATOM 404 C VAL A 27 -5.801 11.486 0.391 1.00 74.03 C ATOM 405 O VAL A 27 -5.786 10.916 -0.698 1.00 72.13 O ATOM 406 CB VAL A 27 -3.394 12.008 0.952 1.00 24.32 C ATOM 407 CG1 VAL A 27 -2.766 11.311 -0.245 1.00 30.12 C ATOM 408 CG2 VAL A 27 -3.675 13.468 0.630 1.00 14.03 C ATOM 0 H VAL A 27 -4.116 9.367 0.798 1.00 3.41 H new ATOM 0 HA VAL A 27 -5.005 11.708 2.359 1.00 42.44 H new ATOM 0 HB VAL A 27 -2.685 11.971 1.779 1.00 24.32 H new ATOM 0 HG11 VAL A 27 -1.864 11.844 -0.544 1.00 30.12 H new ATOM 0 HG12 VAL A 27 -2.510 10.286 0.024 1.00 30.12 H new ATOM 0 HG13 VAL A 27 -3.474 11.303 -1.074 1.00 30.12 H new ATOM 0 HG21 VAL A 27 -2.753 13.954 0.312 1.00 14.03 H new ATOM 0 HG22 VAL A 27 -4.412 13.529 -0.171 1.00 14.03 H new ATOM 0 HG23 VAL A 27 -4.061 13.969 1.518 1.00 14.03 H new ATOM 418 N LYS A 28 -6.788 12.282 0.768 1.00 51.21 N ATOM 419 CA LYS A 28 -7.863 12.648 -0.140 1.00 73.13 C ATOM 420 C LYS A 28 -8.023 14.153 -0.135 1.00 2.33 C ATOM 421 O LYS A 28 -8.040 14.766 0.933 1.00 34.30 O ATOM 422 CB LYS A 28 -9.193 12.004 0.260 1.00 23.10 C ATOM 423 CG LYS A 28 -9.213 10.486 0.184 1.00 60.24 C ATOM 424 CD LYS A 28 -10.631 9.957 0.326 1.00 11.11 C ATOM 425 CE LYS A 28 -11.257 10.380 1.645 1.00 71.21 C ATOM 426 NZ LYS A 28 -12.707 10.064 1.694 1.00 50.24 N ATOM 0 H LYS A 28 -6.867 12.689 1.700 1.00 51.21 H new ATOM 0 HA LYS A 28 -7.600 12.288 -1.135 1.00 73.13 H new ATOM 0 HB2 LYS A 28 -9.435 12.306 1.279 1.00 23.10 H new ATOM 0 HB3 LYS A 28 -9.979 12.397 -0.385 1.00 23.10 H new ATOM 0 HG2 LYS A 28 -8.792 10.159 -0.767 1.00 60.24 H new ATOM 0 HG3 LYS A 28 -8.584 10.070 0.971 1.00 60.24 H new ATOM 0 HD2 LYS A 28 -11.241 10.322 -0.500 1.00 11.11 H new ATOM 0 HD3 LYS A 28 -10.622 8.869 0.259 1.00 11.11 H new ATOM 0 HE2 LYS A 28 -10.747 9.877 2.467 1.00 71.21 H new ATOM 0 HE3 LYS A 28 -11.113 11.451 1.789 1.00 71.21 H new ATOM 0 HZ1 LYS A 28 -13.142 10.556 2.500 1.00 50.24 H new ATOM 0 HZ2 LYS A 28 -13.160 10.377 0.812 1.00 50.24 H new ATOM 0 HZ3 LYS A 28 -12.835 9.038 1.804 1.00 50.24 H new ATOM 440 N ASP A 29 -8.089 14.746 -1.325 1.00 62.32 N ATOM 441 CA ASP A 29 -8.352 16.180 -1.464 1.00 2.34 C ATOM 442 C ASP A 29 -7.191 17.002 -0.892 1.00 74.22 C ATOM 443 O ASP A 29 -7.291 18.212 -0.704 1.00 73.25 O ATOM 444 CB ASP A 29 -9.674 16.528 -0.761 1.00 72.01 C ATOM 445 CG ASP A 29 -10.159 17.932 -1.049 1.00 3.25 C ATOM 446 OD1 ASP A 29 -10.623 18.176 -2.179 1.00 0.15 O ATOM 447 OD2 ASP A 29 -10.112 18.782 -0.133 1.00 43.44 O ATOM 0 H ASP A 29 -7.964 14.255 -2.211 1.00 62.32 H new ATOM 0 HA ASP A 29 -8.440 16.428 -2.522 1.00 2.34 H new ATOM 0 HB2 ASP A 29 -10.440 15.817 -1.071 1.00 72.01 H new ATOM 0 HB3 ASP A 29 -9.546 16.410 0.315 1.00 72.01 H new ATOM 452 N GLY A 30 -6.077 16.325 -0.637 1.00 15.10 N ATOM 453 CA GLY A 30 -4.909 16.983 -0.086 1.00 63.20 C ATOM 454 C GLY A 30 -4.806 16.823 1.419 1.00 51.43 C ATOM 455 O GLY A 30 -3.882 17.347 2.041 1.00 41.50 O ATOM 0 H GLY A 30 -5.963 15.325 -0.804 1.00 15.10 H new ATOM 0 HA2 GLY A 30 -4.013 16.576 -0.553 1.00 63.20 H new ATOM 0 HA3 GLY A 30 -4.943 18.044 -0.334 1.00 63.20 H new ATOM 459 N LYS A 31 -5.753 16.101 2.008 1.00 43.23 N ATOM 460 CA LYS A 31 -5.769 15.894 3.453 1.00 43.33 C ATOM 461 C LYS A 31 -5.420 14.451 3.791 1.00 74.52 C ATOM 462 O LYS A 31 -5.818 13.520 3.091 1.00 23.35 O ATOM 463 CB LYS A 31 -7.134 16.251 4.058 1.00 21.30 C ATOM 464 CG LYS A 31 -7.477 17.738 4.036 1.00 33.33 C ATOM 465 CD LYS A 31 -7.630 18.260 2.619 1.00 41.53 C ATOM 466 CE LYS A 31 -8.197 19.668 2.583 1.00 74.14 C ATOM 467 NZ LYS A 31 -8.279 20.194 1.191 1.00 73.43 N ATOM 0 H LYS A 31 -6.519 15.649 1.508 1.00 43.23 H new ATOM 0 HA LYS A 31 -5.019 16.557 3.885 1.00 43.33 H new ATOM 0 HB2 LYS A 31 -7.908 15.706 3.518 1.00 21.30 H new ATOM 0 HB3 LYS A 31 -7.160 15.902 5.090 1.00 21.30 H new ATOM 0 HG2 LYS A 31 -8.402 17.906 4.587 1.00 33.33 H new ATOM 0 HG3 LYS A 31 -6.695 18.299 4.548 1.00 33.33 H new ATOM 0 HD2 LYS A 31 -6.659 18.248 2.123 1.00 41.53 H new ATOM 0 HD3 LYS A 31 -8.283 17.593 2.057 1.00 41.53 H new ATOM 0 HE2 LYS A 31 -9.190 19.672 3.033 1.00 74.14 H new ATOM 0 HE3 LYS A 31 -7.572 20.328 3.185 1.00 74.14 H new ATOM 0 HZ1 LYS A 31 -8.117 21.221 1.198 1.00 73.43 H new ATOM 0 HZ2 LYS A 31 -7.555 19.734 0.603 1.00 73.43 H new ATOM 0 HZ3 LYS A 31 -9.222 19.994 0.799 1.00 73.43 H new ATOM 481 N VAL A 32 -4.691 14.276 4.875 1.00 4.23 N ATOM 482 CA VAL A 32 -4.207 12.958 5.278 1.00 41.25 C ATOM 483 C VAL A 32 -4.948 12.468 6.517 1.00 62.13 C ATOM 484 O VAL A 32 -4.976 13.150 7.545 1.00 24.44 O ATOM 485 CB VAL A 32 -2.689 12.979 5.566 1.00 52.44 C ATOM 486 CG1 VAL A 32 -2.188 11.591 5.939 1.00 62.21 C ATOM 487 CG2 VAL A 32 -1.923 13.526 4.372 1.00 55.23 C ATOM 0 H VAL A 32 -4.416 15.033 5.501 1.00 4.23 H new ATOM 0 HA VAL A 32 -4.396 12.276 4.449 1.00 41.25 H new ATOM 0 HB VAL A 32 -2.514 13.640 6.415 1.00 52.44 H new ATOM 0 HG11 VAL A 32 -1.117 11.632 6.137 1.00 62.21 H new ATOM 0 HG12 VAL A 32 -2.709 11.244 6.831 1.00 62.21 H new ATOM 0 HG13 VAL A 32 -2.379 10.902 5.116 1.00 62.21 H new ATOM 0 HG21 VAL A 32 -0.856 13.532 4.596 1.00 55.23 H new ATOM 0 HG22 VAL A 32 -2.108 12.896 3.502 1.00 55.23 H new ATOM 0 HG23 VAL A 32 -2.255 14.542 4.161 1.00 55.23 H new ATOM 497 N HIS A 33 -5.549 11.290 6.416 1.00 43.30 N ATOM 498 CA HIS A 33 -6.329 10.739 7.516 1.00 3.12 C ATOM 499 C HIS A 33 -5.651 9.504 8.119 1.00 2.21 C ATOM 500 O HIS A 33 -5.834 9.204 9.297 1.00 22.41 O ATOM 501 CB HIS A 33 -7.745 10.405 7.033 1.00 74.24 C ATOM 502 CG HIS A 33 -8.694 9.988 8.121 1.00 1.23 C ATOM 503 ND1 HIS A 33 -9.813 9.223 7.883 1.00 21.31 N ATOM 504 CD2 HIS A 33 -8.690 10.235 9.453 1.00 35.11 C ATOM 505 CE1 HIS A 33 -10.451 9.013 9.016 1.00 21.32 C ATOM 506 NE2 HIS A 33 -9.791 9.615 9.986 1.00 34.32 N ATOM 0 H HIS A 33 -5.512 10.699 5.586 1.00 43.30 H new ATOM 0 HA HIS A 33 -6.392 11.490 8.303 1.00 3.12 H new ATOM 0 HB2 HIS A 33 -8.156 11.277 6.524 1.00 74.24 H new ATOM 0 HB3 HIS A 33 -7.684 9.605 6.295 1.00 74.24 H new ATOM 0 HD2 HIS A 33 -7.956 10.813 9.995 1.00 35.11 H new ATOM 0 HE1 HIS A 33 -11.361 8.444 9.131 1.00 21.32 H new ATOM 0 HE2 HIS A 33 -10.056 9.619 10.971 1.00 34.32 H new ATOM 515 N TYR A 34 -4.865 8.792 7.320 1.00 53.31 N ATOM 516 CA TYR A 34 -4.176 7.599 7.806 1.00 45.40 C ATOM 517 C TYR A 34 -2.696 7.652 7.469 1.00 75.13 C ATOM 518 O TYR A 34 -2.317 8.085 6.379 1.00 74.11 O ATOM 519 CB TYR A 34 -4.800 6.329 7.220 1.00 52.31 C ATOM 520 CG TYR A 34 -6.204 6.058 7.710 1.00 34.34 C ATOM 521 CD1 TYR A 34 -6.425 5.457 8.943 1.00 42.12 C ATOM 522 CD2 TYR A 34 -7.308 6.408 6.944 1.00 10.31 C ATOM 523 CE1 TYR A 34 -7.706 5.214 9.400 1.00 42.24 C ATOM 524 CE2 TYR A 34 -8.592 6.170 7.395 1.00 63.54 C ATOM 525 CZ TYR A 34 -8.786 5.573 8.623 1.00 52.33 C ATOM 526 OH TYR A 34 -10.063 5.341 9.075 1.00 43.00 O ATOM 0 H TYR A 34 -4.689 9.016 6.341 1.00 53.31 H new ATOM 0 HA TYR A 34 -4.286 7.573 8.890 1.00 45.40 H new ATOM 0 HB2 TYR A 34 -4.814 6.410 6.133 1.00 52.31 H new ATOM 0 HB3 TYR A 34 -4.168 5.477 7.468 1.00 52.31 H new ATOM 0 HD1 TYR A 34 -5.581 5.175 9.555 1.00 42.12 H new ATOM 0 HD2 TYR A 34 -7.161 6.874 5.981 1.00 10.31 H new ATOM 0 HE1 TYR A 34 -7.860 4.745 10.361 1.00 42.24 H new ATOM 0 HE2 TYR A 34 -9.440 6.450 6.788 1.00 63.54 H new ATOM 0 HH TYR A 34 -10.708 5.654 8.407 1.00 43.00 H new ATOM 536 N GLU A 35 -1.874 7.203 8.410 1.00 64.21 N ATOM 537 CA GLU A 35 -0.423 7.218 8.260 1.00 54.21 C ATOM 538 C GLU A 35 0.210 6.187 9.192 1.00 55.44 C ATOM 539 O GLU A 35 -0.025 6.220 10.401 1.00 2.24 O ATOM 540 CB GLU A 35 0.122 8.606 8.599 1.00 53.34 C ATOM 541 CG GLU A 35 1.634 8.720 8.482 1.00 20.01 C ATOM 542 CD GLU A 35 2.187 9.873 9.295 1.00 5.32 C ATOM 543 OE1 GLU A 35 1.880 11.040 8.971 1.00 45.30 O ATOM 544 OE2 GLU A 35 2.927 9.615 10.267 1.00 51.45 O ATOM 0 H GLU A 35 -2.194 6.818 9.299 1.00 64.21 H new ATOM 0 HA GLU A 35 -0.176 6.972 7.227 1.00 54.21 H new ATOM 0 HB2 GLU A 35 -0.340 9.339 7.937 1.00 53.34 H new ATOM 0 HB3 GLU A 35 -0.174 8.864 9.616 1.00 53.34 H new ATOM 0 HG2 GLU A 35 2.093 7.790 8.816 1.00 20.01 H new ATOM 0 HG3 GLU A 35 1.906 8.853 7.435 1.00 20.01 H new ATOM 551 N ASP A 36 0.998 5.273 8.635 1.00 31.11 N ATOM 552 CA ASP A 36 1.717 4.289 9.445 1.00 12.45 C ATOM 553 C ASP A 36 2.846 3.661 8.635 1.00 63.31 C ATOM 554 O ASP A 36 2.736 3.520 7.413 1.00 23.03 O ATOM 555 CB ASP A 36 0.767 3.198 9.950 1.00 13.20 C ATOM 556 CG ASP A 36 1.372 2.384 11.080 1.00 52.54 C ATOM 557 OD1 ASP A 36 1.595 2.955 12.174 1.00 31.45 O ATOM 558 OD2 ASP A 36 1.632 1.183 10.886 1.00 33.04 O ATOM 0 H ASP A 36 1.156 5.191 7.631 1.00 31.11 H new ATOM 0 HA ASP A 36 2.140 4.804 10.307 1.00 12.45 H new ATOM 0 HB2 ASP A 36 -0.160 3.657 10.292 1.00 13.20 H new ATOM 0 HB3 ASP A 36 0.509 2.534 9.125 1.00 13.20 H new ATOM 563 N ALA A 37 3.931 3.301 9.313 1.00 73.21 N ATOM 564 CA ALA A 37 5.088 2.704 8.662 1.00 75.02 C ATOM 565 C ALA A 37 5.709 1.633 9.552 1.00 61.04 C ATOM 566 O ALA A 37 5.863 1.836 10.758 1.00 54.21 O ATOM 567 CB ALA A 37 6.117 3.774 8.333 1.00 12.23 C ATOM 0 H ALA A 37 4.031 3.414 10.322 1.00 73.21 H new ATOM 0 HA ALA A 37 4.759 2.236 7.735 1.00 75.02 H new ATOM 0 HB1 ALA A 37 6.977 3.314 7.847 1.00 12.23 H new ATOM 0 HB2 ALA A 37 5.674 4.512 7.664 1.00 12.23 H new ATOM 0 HB3 ALA A 37 6.439 4.264 9.252 1.00 12.23 H new ATOM 573 N ASP A 38 6.062 0.502 8.957 1.00 10.13 N ATOM 574 CA ASP A 38 6.662 -0.608 9.691 1.00 42.01 C ATOM 575 C ASP A 38 7.403 -1.523 8.715 1.00 71.35 C ATOM 576 O ASP A 38 7.266 -1.372 7.498 1.00 24.12 O ATOM 577 CB ASP A 38 5.579 -1.380 10.459 1.00 24.24 C ATOM 578 CG ASP A 38 6.135 -2.484 11.338 1.00 41.43 C ATOM 579 OD1 ASP A 38 6.739 -2.170 12.387 1.00 60.11 O ATOM 580 OD2 ASP A 38 5.966 -3.670 10.991 1.00 15.44 O ATOM 0 H ASP A 38 5.943 0.327 7.959 1.00 10.13 H new ATOM 0 HA ASP A 38 7.378 -0.222 10.417 1.00 42.01 H new ATOM 0 HB2 ASP A 38 5.016 -0.682 11.078 1.00 24.24 H new ATOM 0 HB3 ASP A 38 4.877 -1.812 9.746 1.00 24.24 H new ATOM 585 N VAL A 39 8.195 -2.455 9.227 1.00 53.12 N ATOM 586 CA VAL A 39 9.001 -3.313 8.368 1.00 2.42 C ATOM 587 C VAL A 39 8.448 -4.731 8.324 1.00 31.20 C ATOM 588 O VAL A 39 8.151 -5.328 9.357 1.00 63.31 O ATOM 589 CB VAL A 39 10.460 -3.398 8.839 1.00 51.24 C ATOM 590 CG1 VAL A 39 11.363 -3.906 7.728 1.00 43.23 C ATOM 591 CG2 VAL A 39 10.949 -2.064 9.373 1.00 74.22 C ATOM 0 H VAL A 39 8.297 -2.636 10.226 1.00 53.12 H new ATOM 0 HA VAL A 39 8.962 -2.859 7.378 1.00 2.42 H new ATOM 0 HB VAL A 39 10.500 -4.115 9.659 1.00 51.24 H new ATOM 0 HG11 VAL A 39 12.390 -3.956 8.089 1.00 43.23 H new ATOM 0 HG12 VAL A 39 11.037 -4.900 7.420 1.00 43.23 H new ATOM 0 HG13 VAL A 39 11.310 -3.227 6.877 1.00 43.23 H new ATOM 0 HG21 VAL A 39 11.985 -2.160 9.698 1.00 74.22 H new ATOM 0 HG22 VAL A 39 10.883 -1.311 8.587 1.00 74.22 H new ATOM 0 HG23 VAL A 39 10.330 -1.762 10.218 1.00 74.22 H new ATOM 601 N GLY A 40 8.368 -5.268 7.121 1.00 52.02 N ATOM 602 CA GLY A 40 7.898 -6.631 6.919 1.00 24.53 C ATOM 603 C GLY A 40 6.434 -6.842 7.280 1.00 73.12 C ATOM 604 O GLY A 40 6.070 -6.844 8.458 1.00 21.11 O ATOM 0 H GLY A 40 8.623 -4.780 6.263 1.00 52.02 H new ATOM 0 HA2 GLY A 40 8.047 -6.905 5.874 1.00 24.53 H new ATOM 0 HA3 GLY A 40 8.510 -7.307 7.516 1.00 24.53 H new ATOM 608 N LYS A 41 5.591 -7.031 6.273 1.00 1.51 N ATOM 609 CA LYS A 41 4.196 -7.379 6.513 1.00 51.13 C ATOM 610 C LYS A 41 3.941 -8.832 6.127 1.00 54.10 C ATOM 611 O LYS A 41 3.455 -9.136 5.035 1.00 34.22 O ATOM 612 CB LYS A 41 3.232 -6.440 5.769 1.00 65.20 C ATOM 613 CG LYS A 41 3.568 -6.221 4.302 1.00 42.15 C ATOM 614 CD LYS A 41 2.362 -5.709 3.524 1.00 14.51 C ATOM 615 CE LYS A 41 1.801 -4.421 4.110 1.00 22.41 C ATOM 616 NZ LYS A 41 0.573 -3.978 3.392 1.00 45.13 N ATOM 0 H LYS A 41 5.846 -6.950 5.289 1.00 1.51 H new ATOM 0 HA LYS A 41 4.003 -7.257 7.579 1.00 51.13 H new ATOM 0 HB2 LYS A 41 2.223 -6.846 5.840 1.00 65.20 H new ATOM 0 HB3 LYS A 41 3.224 -5.474 6.274 1.00 65.20 H new ATOM 0 HG2 LYS A 41 4.387 -5.506 4.218 1.00 42.15 H new ATOM 0 HG3 LYS A 41 3.915 -7.157 3.863 1.00 42.15 H new ATOM 0 HD2 LYS A 41 2.648 -5.539 2.486 1.00 14.51 H new ATOM 0 HD3 LYS A 41 1.584 -6.473 3.520 1.00 14.51 H new ATOM 0 HE2 LYS A 41 1.572 -4.571 5.165 1.00 22.41 H new ATOM 0 HE3 LYS A 41 2.557 -3.637 4.056 1.00 22.41 H new ATOM 0 HZ1 LYS A 41 0.220 -3.098 3.819 1.00 45.13 H new ATOM 0 HZ2 LYS A 41 0.798 -3.811 2.390 1.00 45.13 H new ATOM 0 HZ3 LYS A 41 -0.157 -4.715 3.465 1.00 45.13 H new ATOM 630 N ASN A 42 4.310 -9.730 7.026 1.00 4.43 N ATOM 631 CA ASN A 42 4.121 -11.156 6.807 1.00 33.13 C ATOM 632 C ASN A 42 2.684 -11.549 7.125 1.00 44.15 C ATOM 633 O ASN A 42 2.029 -10.891 7.936 1.00 10.32 O ATOM 634 CB ASN A 42 5.099 -11.965 7.663 1.00 43.43 C ATOM 635 CG ASN A 42 6.538 -11.794 7.220 1.00 50.35 C ATOM 636 OD1 ASN A 42 6.817 -11.595 6.036 1.00 23.24 O ATOM 637 ND2 ASN A 42 7.460 -11.864 8.164 1.00 73.30 N ATOM 0 H ASN A 42 4.744 -9.496 7.919 1.00 4.43 H new ATOM 0 HA ASN A 42 4.320 -11.377 5.758 1.00 33.13 H new ATOM 0 HB2 ASN A 42 5.004 -11.658 8.705 1.00 43.43 H new ATOM 0 HB3 ASN A 42 4.831 -13.020 7.616 1.00 43.43 H new ATOM 0 HD21 ASN A 42 8.445 -11.752 7.924 1.00 73.30 H new ATOM 0 HD22 ASN A 42 7.187 -12.030 9.133 1.00 73.30 H new ATOM 644 N PRO A 43 2.179 -12.624 6.489 1.00 35.23 N ATOM 645 CA PRO A 43 0.779 -13.055 6.616 1.00 2.51 C ATOM 646 C PRO A 43 0.276 -13.087 8.058 1.00 44.43 C ATOM 647 O PRO A 43 -0.764 -12.504 8.371 1.00 23.12 O ATOM 648 CB PRO A 43 0.794 -14.465 6.027 1.00 1.13 C ATOM 649 CG PRO A 43 1.900 -14.443 5.034 1.00 53.02 C ATOM 650 CD PRO A 43 2.942 -13.512 5.589 1.00 64.23 C ATOM 0 HA PRO A 43 0.105 -12.362 6.113 1.00 2.51 H new ATOM 0 HB2 PRO A 43 0.968 -15.215 6.798 1.00 1.13 H new ATOM 0 HB3 PRO A 43 -0.158 -14.708 5.555 1.00 1.13 H new ATOM 0 HG2 PRO A 43 2.310 -15.442 4.885 1.00 53.02 H new ATOM 0 HG3 PRO A 43 1.545 -14.096 4.063 1.00 53.02 H new ATOM 0 HD2 PRO A 43 3.718 -14.056 6.128 1.00 64.23 H new ATOM 0 HD3 PRO A 43 3.438 -12.949 4.798 1.00 64.23 H new ATOM 658 N ALA A 44 1.015 -13.759 8.933 1.00 2.04 N ATOM 659 CA ALA A 44 0.610 -13.896 10.325 1.00 31.34 C ATOM 660 C ALA A 44 0.645 -12.551 11.043 1.00 73.24 C ATOM 661 O ALA A 44 -0.351 -12.129 11.631 1.00 65.41 O ATOM 662 CB ALA A 44 1.495 -14.906 11.038 1.00 14.04 C ATOM 0 H ALA A 44 1.897 -14.217 8.703 1.00 2.04 H new ATOM 0 HA ALA A 44 -0.418 -14.259 10.344 1.00 31.34 H new ATOM 0 HB1 ALA A 44 1.179 -14.997 12.077 1.00 14.04 H new ATOM 0 HB2 ALA A 44 1.410 -15.875 10.547 1.00 14.04 H new ATOM 0 HB3 ALA A 44 2.532 -14.571 11.002 1.00 14.04 H new ATOM 668 N ALA A 45 1.789 -11.880 10.975 1.00 12.20 N ATOM 669 CA ALA A 45 1.983 -10.600 11.650 1.00 43.43 C ATOM 670 C ALA A 45 0.943 -9.563 11.231 1.00 4.12 C ATOM 671 O ALA A 45 0.303 -8.943 12.081 1.00 55.01 O ATOM 672 CB ALA A 45 3.385 -10.073 11.386 1.00 42.40 C ATOM 0 H ALA A 45 2.604 -12.204 10.454 1.00 12.20 H new ATOM 0 HA ALA A 45 1.856 -10.775 12.718 1.00 43.43 H new ATOM 0 HB1 ALA A 45 3.517 -9.118 11.895 1.00 42.40 H new ATOM 0 HB2 ALA A 45 4.119 -10.787 11.760 1.00 42.40 H new ATOM 0 HB3 ALA A 45 3.526 -9.935 10.314 1.00 42.40 H new ATOM 678 N ALA A 46 0.761 -9.392 9.926 1.00 60.14 N ATOM 679 CA ALA A 46 -0.149 -8.376 9.403 1.00 53.13 C ATOM 680 C ALA A 46 -1.588 -8.634 9.840 1.00 34.40 C ATOM 681 O ALA A 46 -2.343 -7.696 10.116 1.00 51.41 O ATOM 682 CB ALA A 46 -0.058 -8.315 7.886 1.00 72.42 C ATOM 0 H ALA A 46 1.232 -9.944 9.209 1.00 60.14 H new ATOM 0 HA ALA A 46 0.155 -7.414 9.815 1.00 53.13 H new ATOM 0 HB1 ALA A 46 -0.742 -7.554 7.511 1.00 72.42 H new ATOM 0 HB2 ALA A 46 0.961 -8.064 7.592 1.00 72.42 H new ATOM 0 HB3 ALA A 46 -0.328 -9.284 7.466 1.00 72.42 H new ATOM 688 N THR A 47 -1.963 -9.902 9.915 1.00 33.11 N ATOM 689 CA THR A 47 -3.305 -10.270 10.332 1.00 33.43 C ATOM 690 C THR A 47 -3.450 -10.140 11.846 1.00 64.41 C ATOM 691 O THR A 47 -4.461 -9.643 12.345 1.00 45.45 O ATOM 692 CB THR A 47 -3.642 -11.707 9.894 1.00 33.51 C ATOM 693 OG1 THR A 47 -3.371 -11.860 8.496 1.00 24.33 O ATOM 694 CG2 THR A 47 -5.102 -12.033 10.166 1.00 64.35 C ATOM 0 H THR A 47 -1.357 -10.692 9.693 1.00 33.11 H new ATOM 0 HA THR A 47 -4.005 -9.587 9.850 1.00 33.43 H new ATOM 0 HB THR A 47 -3.022 -12.394 10.470 1.00 33.51 H new ATOM 0 HG1 THR A 47 -2.405 -11.953 8.358 1.00 24.33 H new ATOM 0 HG21 THR A 47 -5.312 -13.054 9.847 1.00 64.35 H new ATOM 0 HG22 THR A 47 -5.303 -11.937 11.233 1.00 64.35 H new ATOM 0 HG23 THR A 47 -5.738 -11.342 9.613 1.00 64.35 H new ATOM 702 N MET A 48 -2.420 -10.569 12.570 1.00 62.40 N ATOM 703 CA MET A 48 -2.412 -10.498 14.030 1.00 63.24 C ATOM 704 C MET A 48 -2.494 -9.051 14.495 1.00 13.23 C ATOM 705 O MET A 48 -3.262 -8.721 15.400 1.00 64.02 O ATOM 706 CB MET A 48 -1.142 -11.153 14.589 1.00 42.43 C ATOM 707 CG MET A 48 -1.051 -11.132 16.108 1.00 33.51 C ATOM 708 SD MET A 48 -2.358 -12.087 16.903 1.00 31.14 S ATOM 709 CE MET A 48 -2.023 -13.720 16.250 1.00 74.15 C ATOM 0 H MET A 48 -1.574 -10.972 12.167 1.00 62.40 H new ATOM 0 HA MET A 48 -3.283 -11.037 14.403 1.00 63.24 H new ATOM 0 HB2 MET A 48 -1.098 -12.187 14.247 1.00 42.43 H new ATOM 0 HB3 MET A 48 -0.271 -10.644 14.176 1.00 42.43 H new ATOM 0 HG2 MET A 48 -0.082 -11.526 16.414 1.00 33.51 H new ATOM 0 HG3 MET A 48 -1.099 -10.100 16.456 1.00 33.51 H new ATOM 0 HE1 MET A 48 -2.489 -14.470 16.889 1.00 74.15 H new ATOM 0 HE2 MET A 48 -2.430 -13.799 15.242 1.00 74.15 H new ATOM 0 HE3 MET A 48 -0.946 -13.886 16.221 1.00 74.15 H new ATOM 719 N ARG A 49 -1.718 -8.192 13.848 1.00 13.33 N ATOM 720 CA ARG A 49 -1.663 -6.778 14.199 1.00 34.12 C ATOM 721 C ARG A 49 -2.895 -6.030 13.701 1.00 62.43 C ATOM 722 O ARG A 49 -3.040 -4.834 13.949 1.00 34.34 O ATOM 723 CB ARG A 49 -0.398 -6.144 13.625 1.00 40.11 C ATOM 724 CG ARG A 49 0.876 -6.622 14.298 1.00 75.44 C ATOM 725 CD ARG A 49 2.118 -6.154 13.552 1.00 3.20 C ATOM 726 NE ARG A 49 2.183 -4.698 13.420 1.00 2.33 N ATOM 727 CZ ARG A 49 3.222 -3.960 13.816 1.00 54.12 C ATOM 728 NH1 ARG A 49 4.243 -4.528 14.448 1.00 55.24 N ATOM 729 NH2 ARG A 49 3.231 -2.652 13.595 1.00 44.13 N ATOM 0 H ARG A 49 -1.112 -8.453 13.070 1.00 13.33 H new ATOM 0 HA ARG A 49 -1.643 -6.704 15.286 1.00 34.12 H new ATOM 0 HB2 ARG A 49 -0.342 -6.365 12.559 1.00 40.11 H new ATOM 0 HB3 ARG A 49 -0.467 -5.061 13.723 1.00 40.11 H new ATOM 0 HG2 ARG A 49 0.907 -6.252 15.323 1.00 75.44 H new ATOM 0 HG3 ARG A 49 0.873 -7.711 14.352 1.00 75.44 H new ATOM 0 HD2 ARG A 49 3.006 -6.507 14.076 1.00 3.20 H new ATOM 0 HD3 ARG A 49 2.133 -6.606 12.560 1.00 3.20 H new ATOM 0 HE ARG A 49 1.387 -4.219 13.000 1.00 2.33 H new ATOM 0 HH11 ARG A 49 4.234 -5.531 14.632 1.00 55.24 H new ATOM 0 HH12 ARG A 49 5.036 -3.961 14.749 1.00 55.24 H new ATOM 0 HH21 ARG A 49 2.443 -2.209 13.122 1.00 44.13 H new ATOM 0 HH22 ARG A 49 4.026 -2.089 13.898 1.00 44.13 H new ATOM 743 N ASN A 50 -3.762 -6.740 12.970 1.00 71.34 N ATOM 744 CA ASN A 50 -5.055 -6.203 12.529 1.00 0.25 C ATOM 745 C ASN A 50 -4.892 -5.116 11.457 1.00 71.44 C ATOM 746 O ASN A 50 -5.873 -4.582 10.945 1.00 43.14 O ATOM 747 CB ASN A 50 -5.837 -5.674 13.748 1.00 11.02 C ATOM 748 CG ASN A 50 -7.206 -5.111 13.405 1.00 4.22 C ATOM 749 OD1 ASN A 50 -8.181 -5.853 13.282 1.00 42.13 O ATOM 750 ND2 ASN A 50 -7.297 -3.795 13.297 1.00 61.31 N ATOM 0 H ASN A 50 -3.589 -7.699 12.668 1.00 71.34 H new ATOM 0 HA ASN A 50 -5.621 -7.011 12.066 1.00 0.25 H new ATOM 0 HB2 ASN A 50 -5.958 -6.483 14.469 1.00 11.02 H new ATOM 0 HB3 ASN A 50 -5.248 -4.898 14.236 1.00 11.02 H new ATOM 0 HD21 ASN A 50 -8.200 -3.360 13.105 1.00 61.31 H new ATOM 0 HD22 ASN A 50 -6.465 -3.216 13.406 1.00 61.31 H new ATOM 757 N VAL A 51 -3.647 -4.835 11.083 1.00 5.41 N ATOM 758 CA VAL A 51 -3.345 -3.780 10.120 1.00 15.31 C ATOM 759 C VAL A 51 -4.094 -3.994 8.807 1.00 41.23 C ATOM 760 O VAL A 51 -4.689 -3.065 8.262 1.00 44.44 O ATOM 761 CB VAL A 51 -1.832 -3.700 9.832 1.00 2.44 C ATOM 762 CG1 VAL A 51 -1.530 -2.594 8.835 1.00 14.44 C ATOM 763 CG2 VAL A 51 -1.052 -3.486 11.118 1.00 53.24 C ATOM 0 H VAL A 51 -2.826 -5.327 11.435 1.00 5.41 H new ATOM 0 HA VAL A 51 -3.673 -2.842 10.568 1.00 15.31 H new ATOM 0 HB VAL A 51 -1.520 -4.648 9.394 1.00 2.44 H new ATOM 0 HG11 VAL A 51 -0.457 -2.556 8.647 1.00 14.44 H new ATOM 0 HG12 VAL A 51 -2.055 -2.793 7.901 1.00 14.44 H new ATOM 0 HG13 VAL A 51 -1.861 -1.638 9.241 1.00 14.44 H new ATOM 0 HG21 VAL A 51 0.013 -3.432 10.893 1.00 53.24 H new ATOM 0 HG22 VAL A 51 -1.371 -2.555 11.586 1.00 53.24 H new ATOM 0 HG23 VAL A 51 -1.238 -4.317 11.799 1.00 53.24 H new ATOM 773 N ALA A 52 -4.089 -5.236 8.330 1.00 65.43 N ATOM 774 CA ALA A 52 -4.725 -5.587 7.060 1.00 50.55 C ATOM 775 C ALA A 52 -6.236 -5.342 7.085 1.00 61.15 C ATOM 776 O ALA A 52 -6.873 -5.268 6.033 1.00 73.14 O ATOM 777 CB ALA A 52 -4.430 -7.039 6.713 1.00 30.43 C ATOM 0 H ALA A 52 -3.648 -6.023 8.807 1.00 65.43 H new ATOM 0 HA ALA A 52 -4.305 -4.938 6.291 1.00 50.55 H new ATOM 0 HB1 ALA A 52 -4.908 -7.291 5.766 1.00 30.43 H new ATOM 0 HB2 ALA A 52 -3.353 -7.180 6.625 1.00 30.43 H new ATOM 0 HB3 ALA A 52 -4.818 -7.687 7.499 1.00 30.43 H new ATOM 783 N GLY A 53 -6.797 -5.197 8.281 1.00 54.04 N ATOM 784 CA GLY A 53 -8.228 -4.996 8.417 1.00 15.44 C ATOM 785 C GLY A 53 -8.696 -3.684 7.815 1.00 2.11 C ATOM 786 O GLY A 53 -9.747 -3.631 7.178 1.00 11.11 O ATOM 0 H GLY A 53 -6.284 -5.215 9.162 1.00 54.04 H new ATOM 0 HA2 GLY A 53 -8.754 -5.820 7.935 1.00 15.44 H new ATOM 0 HA3 GLY A 53 -8.495 -5.022 9.473 1.00 15.44 H new ATOM 790 N GLU A 54 -7.903 -2.631 7.991 1.00 14.41 N ATOM 791 CA GLU A 54 -8.269 -1.305 7.492 1.00 51.33 C ATOM 792 C GLU A 54 -8.368 -1.309 5.972 1.00 22.14 C ATOM 793 O GLU A 54 -9.356 -0.847 5.400 1.00 4.11 O ATOM 794 CB GLU A 54 -7.254 -0.257 7.955 1.00 44.04 C ATOM 795 CG GLU A 54 -7.159 -0.135 9.467 1.00 23.42 C ATOM 796 CD GLU A 54 -8.474 0.266 10.112 1.00 73.41 C ATOM 797 OE1 GLU A 54 -9.356 -0.601 10.274 1.00 13.51 O ATOM 798 OE2 GLU A 54 -8.629 1.451 10.482 1.00 15.14 O ATOM 0 H GLU A 54 -7.005 -2.668 8.474 1.00 14.41 H new ATOM 0 HA GLU A 54 -9.246 -1.047 7.900 1.00 51.33 H new ATOM 0 HB2 GLU A 54 -6.272 -0.512 7.556 1.00 44.04 H new ATOM 0 HB3 GLU A 54 -7.526 0.712 7.536 1.00 44.04 H new ATOM 0 HG2 GLU A 54 -6.832 -1.088 9.883 1.00 23.42 H new ATOM 0 HG3 GLU A 54 -6.397 0.602 9.720 1.00 23.42 H new ATOM 805 N ILE A 55 -7.350 -1.857 5.320 1.00 73.41 N ATOM 806 CA ILE A 55 -7.345 -1.963 3.868 1.00 23.32 C ATOM 807 C ILE A 55 -8.380 -2.978 3.383 1.00 42.01 C ATOM 808 O ILE A 55 -8.899 -2.858 2.276 1.00 60.44 O ATOM 809 CB ILE A 55 -5.953 -2.305 3.278 1.00 72.30 C ATOM 810 CG1 ILE A 55 -5.149 -3.247 4.188 1.00 21.24 C ATOM 811 CG2 ILE A 55 -5.175 -1.027 2.992 1.00 3.14 C ATOM 812 CD1 ILE A 55 -4.372 -2.542 5.281 1.00 42.20 C ATOM 0 H ILE A 55 -6.518 -2.234 5.774 1.00 73.41 H new ATOM 0 HA ILE A 55 -7.611 -0.971 3.502 1.00 23.32 H new ATOM 0 HB ILE A 55 -6.115 -2.838 2.341 1.00 72.30 H new ATOM 0 HG12 ILE A 55 -5.832 -3.962 4.647 1.00 21.24 H new ATOM 0 HG13 ILE A 55 -4.453 -3.820 3.575 1.00 21.24 H new ATOM 0 HG21 ILE A 55 -4.199 -1.280 2.578 1.00 3.14 H new ATOM 0 HG22 ILE A 55 -5.726 -0.418 2.275 1.00 3.14 H new ATOM 0 HG23 ILE A 55 -5.042 -0.467 3.918 1.00 3.14 H new ATOM 0 HD11 ILE A 55 -3.833 -3.278 5.877 1.00 42.20 H new ATOM 0 HD12 ILE A 55 -3.661 -1.848 4.832 1.00 42.20 H new ATOM 0 HD13 ILE A 55 -5.062 -1.992 5.921 1.00 42.20 H new ATOM 824 N ALA A 56 -8.675 -3.980 4.208 1.00 41.13 N ATOM 825 CA ALA A 56 -9.714 -4.954 3.883 1.00 33.42 C ATOM 826 C ALA A 56 -11.078 -4.271 3.811 1.00 21.41 C ATOM 827 O ALA A 56 -11.879 -4.548 2.919 1.00 23.23 O ATOM 828 CB ALA A 56 -9.735 -6.084 4.904 1.00 42.14 C ATOM 0 H ALA A 56 -8.212 -4.138 5.103 1.00 41.13 H new ATOM 0 HA ALA A 56 -9.488 -5.383 2.907 1.00 33.42 H new ATOM 0 HB1 ALA A 56 -10.516 -6.797 4.642 1.00 42.14 H new ATOM 0 HB2 ALA A 56 -8.769 -6.589 4.908 1.00 42.14 H new ATOM 0 HB3 ALA A 56 -9.934 -5.676 5.895 1.00 42.14 H new ATOM 834 N ALA A 57 -11.329 -3.366 4.749 1.00 74.11 N ATOM 835 CA ALA A 57 -12.555 -2.580 4.739 1.00 10.22 C ATOM 836 C ALA A 57 -12.553 -1.610 3.563 1.00 35.01 C ATOM 837 O ALA A 57 -13.589 -1.347 2.949 1.00 53.01 O ATOM 838 CB ALA A 57 -12.712 -1.826 6.051 1.00 44.40 C ATOM 0 H ALA A 57 -10.700 -3.159 5.525 1.00 74.11 H new ATOM 0 HA ALA A 57 -13.402 -3.258 4.627 1.00 10.22 H new ATOM 0 HB1 ALA A 57 -13.633 -1.243 6.028 1.00 44.40 H new ATOM 0 HB2 ALA A 57 -12.753 -2.537 6.876 1.00 44.40 H new ATOM 0 HB3 ALA A 57 -11.863 -1.157 6.190 1.00 44.40 H new ATOM 844 N ALA A 58 -11.370 -1.095 3.248 1.00 54.30 N ATOM 845 CA ALA A 58 -11.192 -0.177 2.129 1.00 5.42 C ATOM 846 C ALA A 58 -11.450 -0.872 0.791 1.00 41.21 C ATOM 847 O ALA A 58 -11.747 -0.217 -0.204 1.00 22.44 O ATOM 848 CB ALA A 58 -9.797 0.430 2.152 1.00 1.11 C ATOM 0 H ALA A 58 -10.511 -1.301 3.758 1.00 54.30 H new ATOM 0 HA ALA A 58 -11.924 0.624 2.237 1.00 5.42 H new ATOM 0 HB1 ALA A 58 -9.683 1.112 1.309 1.00 1.11 H new ATOM 0 HB2 ALA A 58 -9.654 0.977 3.084 1.00 1.11 H new ATOM 0 HB3 ALA A 58 -9.054 -0.364 2.079 1.00 1.11 H new ATOM 854 N LEU A 59 -11.334 -2.199 0.773 1.00 12.41 N ATOM 855 CA LEU A 59 -11.579 -2.981 -0.440 1.00 60.33 C ATOM 856 C LEU A 59 -13.007 -2.774 -0.934 1.00 55.44 C ATOM 857 O LEU A 59 -13.266 -2.747 -2.137 1.00 5.25 O ATOM 858 CB LEU A 59 -11.329 -4.467 -0.174 1.00 14.21 C ATOM 859 CG LEU A 59 -11.406 -5.377 -1.404 1.00 2.42 C ATOM 860 CD1 LEU A 59 -10.338 -4.996 -2.418 1.00 22.14 C ATOM 861 CD2 LEU A 59 -11.258 -6.836 -0.999 1.00 24.02 C ATOM 0 H LEU A 59 -11.071 -2.757 1.586 1.00 12.41 H new ATOM 0 HA LEU A 59 -10.890 -2.638 -1.212 1.00 60.33 H new ATOM 0 HB2 LEU A 59 -10.343 -4.577 0.277 1.00 14.21 H new ATOM 0 HB3 LEU A 59 -12.056 -4.815 0.560 1.00 14.21 H new ATOM 0 HG LEU A 59 -12.384 -5.245 -1.867 1.00 2.42 H new ATOM 0 HD11 LEU A 59 -10.408 -5.653 -3.285 1.00 22.14 H new ATOM 0 HD12 LEU A 59 -10.487 -3.963 -2.733 1.00 22.14 H new ATOM 0 HD13 LEU A 59 -9.352 -5.098 -1.964 1.00 22.14 H new ATOM 0 HD21 LEU A 59 -11.315 -7.467 -1.886 1.00 24.02 H new ATOM 0 HD22 LEU A 59 -10.294 -6.982 -0.511 1.00 24.02 H new ATOM 0 HD23 LEU A 59 -12.058 -7.105 -0.310 1.00 24.02 H new ATOM 873 N TYR A 60 -13.933 -2.624 0.005 1.00 11.32 N ATOM 874 CA TYR A 60 -15.325 -2.346 -0.334 1.00 24.03 C ATOM 875 C TYR A 60 -15.467 -0.949 -0.928 1.00 32.20 C ATOM 876 O TYR A 60 -16.321 -0.715 -1.780 1.00 34.34 O ATOM 877 CB TYR A 60 -16.224 -2.502 0.893 1.00 40.15 C ATOM 878 CG TYR A 60 -16.624 -3.935 1.167 1.00 45.22 C ATOM 879 CD1 TYR A 60 -15.777 -4.807 1.840 1.00 54.00 C ATOM 880 CD2 TYR A 60 -17.854 -4.415 0.740 1.00 72.20 C ATOM 881 CE1 TYR A 60 -16.146 -6.120 2.074 1.00 22.15 C ATOM 882 CE2 TYR A 60 -18.231 -5.722 0.975 1.00 14.44 C ATOM 883 CZ TYR A 60 -17.376 -6.571 1.639 1.00 33.53 C ATOM 884 OH TYR A 60 -17.750 -7.877 1.859 1.00 30.13 O ATOM 0 H TYR A 60 -13.747 -2.690 1.006 1.00 11.32 H new ATOM 0 HA TYR A 60 -15.642 -3.071 -1.084 1.00 24.03 H new ATOM 0 HB2 TYR A 60 -15.707 -2.104 1.766 1.00 40.15 H new ATOM 0 HB3 TYR A 60 -17.123 -1.902 0.754 1.00 40.15 H new ATOM 0 HD1 TYR A 60 -14.816 -4.455 2.186 1.00 54.00 H new ATOM 0 HD2 TYR A 60 -18.528 -3.755 0.215 1.00 72.20 H new ATOM 0 HE1 TYR A 60 -15.475 -6.788 2.594 1.00 22.15 H new ATOM 0 HE2 TYR A 60 -19.194 -6.077 0.639 1.00 14.44 H new ATOM 0 HH TYR A 60 -18.645 -8.027 1.490 1.00 30.13 H new ATOM 894 N ALA A 61 -14.617 -0.031 -0.493 1.00 24.32 N ATOM 895 CA ALA A 61 -14.598 1.308 -1.065 1.00 50.43 C ATOM 896 C ALA A 61 -14.055 1.255 -2.488 1.00 74.30 C ATOM 897 O ALA A 61 -14.498 1.997 -3.362 1.00 72.23 O ATOM 898 CB ALA A 61 -13.770 2.250 -0.205 1.00 3.32 C ATOM 0 H ALA A 61 -13.935 -0.186 0.249 1.00 24.32 H new ATOM 0 HA ALA A 61 -15.618 1.693 -1.093 1.00 50.43 H new ATOM 0 HB1 ALA A 61 -13.770 3.244 -0.651 1.00 3.32 H new ATOM 0 HB2 ALA A 61 -14.199 2.301 0.796 1.00 3.32 H new ATOM 0 HB3 ALA A 61 -12.747 1.880 -0.142 1.00 3.32 H new ATOM 904 N VAL A 62 -13.099 0.356 -2.713 1.00 33.33 N ATOM 905 CA VAL A 62 -12.570 0.105 -4.049 1.00 2.41 C ATOM 906 C VAL A 62 -13.665 -0.462 -4.951 1.00 24.35 C ATOM 907 O VAL A 62 -13.769 -0.103 -6.125 1.00 13.13 O ATOM 908 CB VAL A 62 -11.371 -0.873 -4.011 1.00 12.35 C ATOM 909 CG1 VAL A 62 -10.847 -1.146 -5.412 1.00 51.41 C ATOM 910 CG2 VAL A 62 -10.263 -0.322 -3.128 1.00 51.01 C ATOM 0 H VAL A 62 -12.674 -0.213 -1.981 1.00 33.33 H new ATOM 0 HA VAL A 62 -12.221 1.057 -4.450 1.00 2.41 H new ATOM 0 HB VAL A 62 -11.717 -1.816 -3.588 1.00 12.35 H new ATOM 0 HG11 VAL A 62 -10.005 -1.836 -5.357 1.00 51.41 H new ATOM 0 HG12 VAL A 62 -11.639 -1.587 -6.017 1.00 51.41 H new ATOM 0 HG13 VAL A 62 -10.521 -0.211 -5.867 1.00 51.41 H new ATOM 0 HG21 VAL A 62 -9.428 -1.022 -3.113 1.00 51.01 H new ATOM 0 HG22 VAL A 62 -9.926 0.636 -3.523 1.00 51.01 H new ATOM 0 HG23 VAL A 62 -10.640 -0.184 -2.115 1.00 51.01 H new ATOM 920 N LYS A 63 -14.486 -1.342 -4.388 1.00 2.21 N ATOM 921 CA LYS A 63 -15.637 -1.881 -5.102 1.00 21.43 C ATOM 922 C LYS A 63 -16.607 -0.765 -5.478 1.00 60.21 C ATOM 923 O LYS A 63 -17.121 -0.726 -6.596 1.00 43.34 O ATOM 924 CB LYS A 63 -16.344 -2.948 -4.263 1.00 43.33 C ATOM 925 CG LYS A 63 -15.617 -4.281 -4.258 1.00 73.44 C ATOM 926 CD LYS A 63 -16.407 -5.351 -3.526 1.00 72.24 C ATOM 927 CE LYS A 63 -15.768 -6.722 -3.700 1.00 44.32 C ATOM 928 NZ LYS A 63 -16.527 -7.799 -3.008 1.00 33.15 N ATOM 0 H LYS A 63 -14.375 -1.697 -3.438 1.00 2.21 H new ATOM 0 HA LYS A 63 -15.280 -2.349 -6.019 1.00 21.43 H new ATOM 0 HB2 LYS A 63 -16.441 -2.590 -3.238 1.00 43.33 H new ATOM 0 HB3 LYS A 63 -17.354 -3.093 -4.647 1.00 43.33 H new ATOM 0 HG2 LYS A 63 -15.437 -4.601 -5.284 1.00 73.44 H new ATOM 0 HG3 LYS A 63 -14.642 -4.162 -3.785 1.00 73.44 H new ATOM 0 HD2 LYS A 63 -16.463 -5.105 -2.466 1.00 72.24 H new ATOM 0 HD3 LYS A 63 -17.430 -5.373 -3.902 1.00 72.24 H new ATOM 0 HE2 LYS A 63 -15.701 -6.955 -4.763 1.00 44.32 H new ATOM 0 HE3 LYS A 63 -14.749 -6.695 -3.314 1.00 44.32 H new ATOM 0 HZ1 LYS A 63 -16.050 -8.711 -3.158 1.00 33.15 H new ATOM 0 HZ2 LYS A 63 -16.570 -7.594 -1.989 1.00 33.15 H new ATOM 0 HZ3 LYS A 63 -17.492 -7.846 -3.393 1.00 33.15 H new ATOM 942 N LYS A 64 -16.838 0.152 -4.547 1.00 5.54 N ATOM 943 CA LYS A 64 -17.675 1.314 -4.814 1.00 12.34 C ATOM 944 C LYS A 64 -17.049 2.195 -5.888 1.00 42.15 C ATOM 945 O LYS A 64 -17.748 2.753 -6.731 1.00 71.41 O ATOM 946 CB LYS A 64 -17.893 2.134 -3.545 1.00 24.21 C ATOM 947 CG LYS A 64 -18.695 1.413 -2.478 1.00 70.22 C ATOM 948 CD LYS A 64 -18.999 2.336 -1.310 1.00 45.03 C ATOM 949 CE LYS A 64 -19.771 3.562 -1.767 1.00 21.14 C ATOM 950 NZ LYS A 64 -20.074 4.481 -0.642 1.00 72.32 N ATOM 0 H LYS A 64 -16.458 0.113 -3.601 1.00 5.54 H new ATOM 0 HA LYS A 64 -18.639 0.950 -5.168 1.00 12.34 H new ATOM 0 HB2 LYS A 64 -16.923 2.411 -3.132 1.00 24.21 H new ATOM 0 HB3 LYS A 64 -18.404 3.061 -3.806 1.00 24.21 H new ATOM 0 HG2 LYS A 64 -19.627 1.043 -2.906 1.00 70.22 H new ATOM 0 HG3 LYS A 64 -18.139 0.544 -2.125 1.00 70.22 H new ATOM 0 HD2 LYS A 64 -19.577 1.798 -0.558 1.00 45.03 H new ATOM 0 HD3 LYS A 64 -18.068 2.645 -0.835 1.00 45.03 H new ATOM 0 HE2 LYS A 64 -19.193 4.093 -2.523 1.00 21.14 H new ATOM 0 HE3 LYS A 64 -20.702 3.249 -2.240 1.00 21.14 H new ATOM 0 HZ1 LYS A 64 -20.601 5.304 -0.998 1.00 72.32 H new ATOM 0 HZ2 LYS A 64 -20.648 3.983 0.068 1.00 72.32 H new ATOM 0 HZ3 LYS A 64 -19.186 4.801 -0.207 1.00 72.32 H new ATOM 964 N ALA A 65 -15.727 2.309 -5.849 1.00 52.12 N ATOM 965 CA ALA A 65 -14.987 3.082 -6.836 1.00 23.21 C ATOM 966 C ALA A 65 -15.115 2.455 -8.220 1.00 13.50 C ATOM 967 O ALA A 65 -15.086 3.154 -9.234 1.00 30.34 O ATOM 968 CB ALA A 65 -13.525 3.191 -6.429 1.00 13.11 C ATOM 0 H ALA A 65 -15.142 1.871 -5.137 1.00 52.12 H new ATOM 0 HA ALA A 65 -15.412 4.085 -6.880 1.00 23.21 H new ATOM 0 HB1 ALA A 65 -12.982 3.771 -7.175 1.00 13.11 H new ATOM 0 HB2 ALA A 65 -13.453 3.686 -5.461 1.00 13.11 H new ATOM 0 HB3 ALA A 65 -13.091 2.193 -6.359 1.00 13.11 H new ATOM 974 N SER A 66 -15.263 1.137 -8.255 1.00 62.01 N ATOM 975 CA SER A 66 -15.482 0.419 -9.501 1.00 35.13 C ATOM 976 C SER A 66 -16.840 0.800 -10.086 1.00 34.35 C ATOM 977 O SER A 66 -16.971 1.026 -11.291 1.00 13.52 O ATOM 978 CB SER A 66 -15.409 -1.093 -9.259 1.00 15.04 C ATOM 979 OG SER A 66 -15.508 -1.822 -10.470 1.00 32.52 O ATOM 0 H SER A 66 -15.235 0.541 -7.428 1.00 62.01 H new ATOM 0 HA SER A 66 -14.703 0.693 -10.212 1.00 35.13 H new ATOM 0 HB2 SER A 66 -14.470 -1.337 -8.763 1.00 15.04 H new ATOM 0 HB3 SER A 66 -16.213 -1.393 -8.586 1.00 15.04 H new ATOM 0 HG SER A 66 -15.456 -2.782 -10.279 1.00 32.52 H new ATOM 985 N GLN A 67 -17.840 0.894 -9.214 1.00 51.54 N ATOM 986 CA GLN A 67 -19.183 1.276 -9.609 1.00 44.52 C ATOM 987 C GLN A 67 -19.234 2.758 -9.968 1.00 1.51 C ATOM 988 O GLN A 67 -20.056 3.188 -10.773 1.00 43.43 O ATOM 989 CB GLN A 67 -20.158 0.995 -8.466 1.00 13.04 C ATOM 990 CG GLN A 67 -20.117 -0.433 -7.934 1.00 70.11 C ATOM 991 CD GLN A 67 -20.631 -1.470 -8.919 1.00 64.44 C ATOM 992 OE1 GLN A 67 -20.494 -1.331 -10.136 1.00 42.43 O ATOM 993 NE2 GLN A 67 -21.249 -2.513 -8.394 1.00 13.51 N ATOM 0 H GLN A 67 -17.738 0.707 -8.217 1.00 51.54 H new ATOM 0 HA GLN A 67 -19.466 0.691 -10.484 1.00 44.52 H new ATOM 0 HB2 GLN A 67 -19.944 1.681 -7.646 1.00 13.04 H new ATOM 0 HB3 GLN A 67 -21.170 1.213 -8.807 1.00 13.04 H new ATOM 0 HG2 GLN A 67 -19.091 -0.680 -7.663 1.00 70.11 H new ATOM 0 HG3 GLN A 67 -20.710 -0.488 -7.021 1.00 70.11 H new ATOM 0 HE21 GLN A 67 -21.343 -2.594 -7.382 1.00 13.51 H new ATOM 0 HE22 GLN A 67 -21.632 -3.238 -9.001 1.00 13.51 H new ATOM 1002 N LEU A 68 -18.349 3.530 -9.351 1.00 13.35 N ATOM 1003 CA LEU A 68 -18.301 4.966 -9.561 1.00 20.23 C ATOM 1004 C LEU A 68 -17.534 5.298 -10.840 1.00 14.31 C ATOM 1005 O LEU A 68 -17.758 6.339 -11.463 1.00 34.12 O ATOM 1006 CB LEU A 68 -17.632 5.634 -8.356 1.00 50.04 C ATOM 1007 CG LEU A 68 -17.751 7.155 -8.297 1.00 51.12 C ATOM 1008 CD1 LEU A 68 -19.207 7.566 -8.161 1.00 32.11 C ATOM 1009 CD2 LEU A 68 -16.933 7.712 -7.142 1.00 12.21 C ATOM 0 H LEU A 68 -17.650 3.179 -8.696 1.00 13.35 H new ATOM 0 HA LEU A 68 -19.318 5.343 -9.667 1.00 20.23 H new ATOM 0 HB2 LEU A 68 -18.064 5.218 -7.446 1.00 50.04 H new ATOM 0 HB3 LEU A 68 -16.575 5.370 -8.357 1.00 50.04 H new ATOM 0 HG LEU A 68 -17.358 7.567 -9.226 1.00 51.12 H new ATOM 0 HD11 LEU A 68 -19.276 8.653 -8.120 1.00 32.11 H new ATOM 0 HD12 LEU A 68 -19.770 7.199 -9.019 1.00 32.11 H new ATOM 0 HD13 LEU A 68 -19.621 7.142 -7.246 1.00 32.11 H new ATOM 0 HD21 LEU A 68 -17.031 8.797 -7.117 1.00 12.21 H new ATOM 0 HD22 LEU A 68 -17.296 7.293 -6.204 1.00 12.21 H new ATOM 0 HD23 LEU A 68 -15.885 7.445 -7.277 1.00 12.21 H new ATOM 1021 N GLY A 69 -16.637 4.406 -11.232 1.00 63.04 N ATOM 1022 CA GLY A 69 -15.853 4.619 -12.430 1.00 3.14 C ATOM 1023 C GLY A 69 -14.611 5.448 -12.169 1.00 33.35 C ATOM 1024 O GLY A 69 -14.201 6.251 -13.008 1.00 53.00 O ATOM 0 H GLY A 69 -16.438 3.535 -10.740 1.00 63.04 H new ATOM 0 HA2 GLY A 69 -15.562 3.655 -12.846 1.00 3.14 H new ATOM 0 HA3 GLY A 69 -16.468 5.117 -13.179 1.00 3.14 H new ATOM 1028 N VAL A 70 -14.021 5.267 -10.997 1.00 21.14 N ATOM 1029 CA VAL A 70 -12.780 5.949 -10.645 1.00 14.40 C ATOM 1030 C VAL A 70 -11.705 4.929 -10.288 1.00 72.24 C ATOM 1031 O VAL A 70 -11.941 3.722 -10.373 1.00 73.44 O ATOM 1032 CB VAL A 70 -12.965 6.936 -9.470 1.00 14.01 C ATOM 1033 CG1 VAL A 70 -13.852 8.100 -9.878 1.00 24.14 C ATOM 1034 CG2 VAL A 70 -13.544 6.233 -8.257 1.00 54.21 C ATOM 0 H VAL A 70 -14.382 4.651 -10.269 1.00 21.14 H new ATOM 0 HA VAL A 70 -12.473 6.526 -11.517 1.00 14.40 H new ATOM 0 HB VAL A 70 -11.983 7.326 -9.204 1.00 14.01 H new ATOM 0 HG11 VAL A 70 -13.968 8.782 -9.035 1.00 24.14 H new ATOM 0 HG12 VAL A 70 -13.395 8.630 -10.713 1.00 24.14 H new ATOM 0 HG13 VAL A 70 -14.830 7.724 -10.178 1.00 24.14 H new ATOM 0 HG21 VAL A 70 -13.664 6.949 -7.444 1.00 54.21 H new ATOM 0 HG22 VAL A 70 -14.514 5.807 -8.512 1.00 54.21 H new ATOM 0 HG23 VAL A 70 -12.870 5.437 -7.942 1.00 54.21 H new ATOM 1044 N LYS A 71 -10.533 5.404 -9.893 1.00 64.22 N ATOM 1045 CA LYS A 71 -9.415 4.518 -9.599 1.00 72.34 C ATOM 1046 C LYS A 71 -8.473 5.154 -8.582 1.00 31.52 C ATOM 1047 O LYS A 71 -8.640 6.318 -8.212 1.00 4.13 O ATOM 1048 CB LYS A 71 -8.664 4.197 -10.890 1.00 63.44 C ATOM 1049 CG LYS A 71 -8.004 5.408 -11.523 1.00 10.21 C ATOM 1050 CD LYS A 71 -7.575 5.127 -12.949 1.00 62.22 C ATOM 1051 CE LYS A 71 -8.775 4.983 -13.869 1.00 40.12 C ATOM 1052 NZ LYS A 71 -8.373 4.668 -15.263 1.00 40.44 N ATOM 0 H LYS A 71 -10.331 6.396 -9.769 1.00 64.22 H new ATOM 0 HA LYS A 71 -9.802 3.594 -9.168 1.00 72.34 H new ATOM 0 HB2 LYS A 71 -7.902 3.446 -10.681 1.00 63.44 H new ATOM 0 HB3 LYS A 71 -9.359 3.756 -11.605 1.00 63.44 H new ATOM 0 HG2 LYS A 71 -8.697 6.249 -11.510 1.00 10.21 H new ATOM 0 HG3 LYS A 71 -7.136 5.701 -10.932 1.00 10.21 H new ATOM 0 HD2 LYS A 71 -6.936 5.936 -13.305 1.00 62.22 H new ATOM 0 HD3 LYS A 71 -6.980 4.214 -12.979 1.00 62.22 H new ATOM 0 HE2 LYS A 71 -9.427 4.195 -13.493 1.00 40.12 H new ATOM 0 HE3 LYS A 71 -9.353 5.907 -13.858 1.00 40.12 H new ATOM 0 HZ1 LYS A 71 -9.222 4.578 -15.857 1.00 40.44 H new ATOM 0 HZ2 LYS A 71 -7.771 5.432 -15.632 1.00 40.44 H new ATOM 0 HZ3 LYS A 71 -7.844 3.773 -15.278 1.00 40.44 H new ATOM 1066 N ILE A 72 -7.495 4.382 -8.128 1.00 51.53 N ATOM 1067 CA ILE A 72 -6.494 4.884 -7.197 1.00 44.03 C ATOM 1068 C ILE A 72 -5.093 4.664 -7.760 1.00 4.41 C ATOM 1069 O ILE A 72 -4.868 3.729 -8.529 1.00 61.42 O ATOM 1070 CB ILE A 72 -6.595 4.203 -5.811 1.00 13.23 C ATOM 1071 CG1 ILE A 72 -6.288 2.706 -5.912 1.00 22.35 C ATOM 1072 CG2 ILE A 72 -7.976 4.416 -5.213 1.00 33.23 C ATOM 1073 CD1 ILE A 72 -6.273 1.998 -4.571 1.00 5.33 C ATOM 0 H ILE A 72 -7.374 3.404 -8.390 1.00 51.53 H new ATOM 0 HA ILE A 72 -6.684 5.950 -7.068 1.00 44.03 H new ATOM 0 HB ILE A 72 -5.854 4.661 -5.156 1.00 13.23 H new ATOM 0 HG12 ILE A 72 -7.031 2.234 -6.555 1.00 22.35 H new ATOM 0 HG13 ILE A 72 -5.319 2.574 -6.394 1.00 22.35 H new ATOM 0 HG21 ILE A 72 -8.029 3.930 -4.239 1.00 33.23 H new ATOM 0 HG22 ILE A 72 -8.162 5.484 -5.097 1.00 33.23 H new ATOM 0 HG23 ILE A 72 -8.729 3.987 -5.874 1.00 33.23 H new ATOM 0 HD11 ILE A 72 -6.049 0.942 -4.720 1.00 5.33 H new ATOM 0 HD12 ILE A 72 -5.510 2.444 -3.933 1.00 5.33 H new ATOM 0 HD13 ILE A 72 -7.249 2.099 -4.095 1.00 5.33 H new ATOM 1085 N ARG A 73 -4.159 5.526 -7.382 1.00 51.32 N ATOM 1086 CA ARG A 73 -2.785 5.413 -7.856 1.00 63.43 C ATOM 1087 C ARG A 73 -1.871 4.893 -6.755 1.00 22.11 C ATOM 1088 O ARG A 73 -1.732 5.523 -5.709 1.00 23.42 O ATOM 1089 CB ARG A 73 -2.254 6.761 -8.366 1.00 51.11 C ATOM 1090 CG ARG A 73 -2.788 7.169 -9.729 1.00 73.44 C ATOM 1091 CD ARG A 73 -4.221 7.673 -9.660 1.00 63.53 C ATOM 1092 NE ARG A 73 -4.326 8.950 -8.948 1.00 2.22 N ATOM 1093 CZ ARG A 73 -5.198 9.904 -9.269 1.00 71.13 C ATOM 1094 NH1 ARG A 73 -6.003 9.736 -10.312 1.00 72.53 N ATOM 1095 NH2 ARG A 73 -5.252 11.028 -8.563 1.00 71.02 N ATOM 0 H ARG A 73 -4.326 6.309 -6.750 1.00 51.32 H new ATOM 0 HA ARG A 73 -2.789 4.704 -8.684 1.00 63.43 H new ATOM 0 HB2 ARG A 73 -2.508 7.536 -7.643 1.00 51.11 H new ATOM 0 HB3 ARG A 73 -1.166 6.715 -8.414 1.00 51.11 H new ATOM 0 HG2 ARG A 73 -2.151 7.948 -10.148 1.00 73.44 H new ATOM 0 HG3 ARG A 73 -2.737 6.317 -10.407 1.00 73.44 H new ATOM 0 HD2 ARG A 73 -4.612 7.789 -10.671 1.00 63.53 H new ATOM 0 HD3 ARG A 73 -4.842 6.929 -9.161 1.00 63.53 H new ATOM 0 HE ARG A 73 -3.696 9.117 -8.163 1.00 2.22 H new ATOM 0 HH11 ARG A 73 -5.952 8.879 -10.863 1.00 72.53 H new ATOM 0 HH12 ARG A 73 -6.673 10.464 -10.562 1.00 72.53 H new ATOM 0 HH21 ARG A 73 -4.624 11.163 -7.771 1.00 71.02 H new ATOM 0 HH22 ARG A 73 -5.922 11.756 -8.813 1.00 71.02 H new ATOM 1109 N ILE A 74 -1.261 3.739 -6.997 1.00 1.53 N ATOM 1110 CA ILE A 74 -0.291 3.165 -6.071 1.00 22.31 C ATOM 1111 C ILE A 74 1.091 3.150 -6.720 1.00 11.30 C ATOM 1112 O ILE A 74 1.291 2.511 -7.756 1.00 22.44 O ATOM 1113 CB ILE A 74 -0.678 1.728 -5.657 1.00 44.44 C ATOM 1114 CG1 ILE A 74 -2.075 1.717 -5.027 1.00 64.54 C ATOM 1115 CG2 ILE A 74 0.354 1.151 -4.692 1.00 63.21 C ATOM 1116 CD1 ILE A 74 -2.573 0.333 -4.671 1.00 33.55 C ATOM 0 H ILE A 74 -1.422 3.178 -7.834 1.00 1.53 H new ATOM 0 HA ILE A 74 -0.279 3.784 -5.174 1.00 22.31 H new ATOM 0 HB ILE A 74 -0.695 1.101 -6.549 1.00 44.44 H new ATOM 0 HG12 ILE A 74 -2.062 2.331 -4.127 1.00 64.54 H new ATOM 0 HG13 ILE A 74 -2.779 2.180 -5.719 1.00 64.54 H new ATOM 0 HG21 ILE A 74 0.064 0.138 -4.412 1.00 63.21 H new ATOM 0 HG22 ILE A 74 1.331 1.128 -5.175 1.00 63.21 H new ATOM 0 HG23 ILE A 74 0.405 1.774 -3.799 1.00 63.21 H new ATOM 0 HD11 ILE A 74 -3.567 0.406 -4.230 1.00 33.55 H new ATOM 0 HD12 ILE A 74 -2.619 -0.280 -5.571 1.00 33.55 H new ATOM 0 HD13 ILE A 74 -1.892 -0.126 -3.955 1.00 33.55 H new ATOM 1128 N LEU A 75 2.039 3.857 -6.117 1.00 72.25 N ATOM 1129 CA LEU A 75 3.362 4.021 -6.717 1.00 63.12 C ATOM 1130 C LEU A 75 4.444 3.290 -5.922 1.00 52.42 C ATOM 1131 O LEU A 75 5.636 3.512 -6.131 1.00 40.02 O ATOM 1132 CB LEU A 75 3.711 5.509 -6.826 1.00 70.35 C ATOM 1133 CG LEU A 75 2.714 6.356 -7.625 1.00 2.20 C ATOM 1134 CD1 LEU A 75 3.145 7.814 -7.650 1.00 64.02 C ATOM 1135 CD2 LEU A 75 2.563 5.819 -9.042 1.00 31.31 C ATOM 0 H LEU A 75 1.920 4.324 -5.218 1.00 72.25 H new ATOM 0 HA LEU A 75 3.327 3.580 -7.713 1.00 63.12 H new ATOM 0 HB2 LEU A 75 3.790 5.922 -5.820 1.00 70.35 H new ATOM 0 HB3 LEU A 75 4.694 5.602 -7.287 1.00 70.35 H new ATOM 0 HG LEU A 75 1.745 6.294 -7.131 1.00 2.20 H new ATOM 0 HD11 LEU A 75 2.423 8.397 -8.222 1.00 64.02 H new ATOM 0 HD12 LEU A 75 3.194 8.197 -6.630 1.00 64.02 H new ATOM 0 HD13 LEU A 75 4.127 7.895 -8.115 1.00 64.02 H new ATOM 0 HD21 LEU A 75 1.851 6.435 -9.591 1.00 31.31 H new ATOM 0 HD22 LEU A 75 3.529 5.845 -9.546 1.00 31.31 H new ATOM 0 HD23 LEU A 75 2.201 4.792 -9.005 1.00 31.31 H new ATOM 1147 N HIS A 76 4.029 2.411 -5.021 1.00 3.41 N ATOM 1148 CA HIS A 76 4.977 1.632 -4.233 1.00 32.33 C ATOM 1149 C HIS A 76 5.391 0.398 -5.021 1.00 3.04 C ATOM 1150 O HIS A 76 4.535 -0.361 -5.471 1.00 52.33 O ATOM 1151 CB HIS A 76 4.358 1.207 -2.896 1.00 73.03 C ATOM 1152 CG HIS A 76 5.349 0.678 -1.897 1.00 62.51 C ATOM 1153 ND1 HIS A 76 5.850 -0.611 -1.925 1.00 41.41 N ATOM 1154 CD2 HIS A 76 5.920 1.274 -0.825 1.00 51.12 C ATOM 1155 CE1 HIS A 76 6.683 -0.777 -0.912 1.00 54.12 C ATOM 1156 NE2 HIS A 76 6.743 0.350 -0.231 1.00 50.24 N ATOM 0 H HIS A 76 3.048 2.219 -4.817 1.00 3.41 H new ATOM 0 HA HIS A 76 5.850 2.251 -4.025 1.00 32.33 H new ATOM 0 HB2 HIS A 76 3.841 2.062 -2.460 1.00 73.03 H new ATOM 0 HB3 HIS A 76 3.605 0.441 -3.084 1.00 73.03 H new ATOM 0 HD2 HIS A 76 5.758 2.290 -0.497 1.00 51.12 H new ATOM 0 HE1 HIS A 76 7.223 -1.683 -0.681 1.00 54.12 H new ATOM 0 HE2 HIS A 76 7.309 0.510 0.602 1.00 50.24 H new ATOM 1165 N ASP A 77 6.695 0.198 -5.187 1.00 21.21 N ATOM 1166 CA ASP A 77 7.191 -0.934 -5.963 1.00 55.03 C ATOM 1167 C ASP A 77 6.817 -2.253 -5.301 1.00 12.33 C ATOM 1168 O ASP A 77 7.115 -2.486 -4.126 1.00 61.33 O ATOM 1169 CB ASP A 77 8.708 -0.856 -6.152 1.00 4.42 C ATOM 1170 CG ASP A 77 9.243 -1.951 -7.064 1.00 31.31 C ATOM 1171 OD1 ASP A 77 8.439 -2.659 -7.706 1.00 71.23 O ATOM 1172 OD2 ASP A 77 10.481 -2.098 -7.156 1.00 62.13 O ATOM 0 H ASP A 77 7.422 0.799 -4.798 1.00 21.21 H new ATOM 0 HA ASP A 77 6.719 -0.888 -6.944 1.00 55.03 H new ATOM 0 HB2 ASP A 77 8.969 0.117 -6.568 1.00 4.42 H new ATOM 0 HB3 ASP A 77 9.195 -0.928 -5.180 1.00 4.42 H new ATOM 1177 N TYR A 78 6.129 -3.084 -6.064 1.00 33.42 N ATOM 1178 CA TYR A 78 5.725 -4.407 -5.628 1.00 11.03 C ATOM 1179 C TYR A 78 5.456 -5.251 -6.875 1.00 64.42 C ATOM 1180 O TYR A 78 4.801 -6.294 -6.826 1.00 72.50 O ATOM 1181 CB TYR A 78 4.469 -4.302 -4.752 1.00 34.21 C ATOM 1182 CG TYR A 78 4.215 -5.509 -3.876 1.00 5.23 C ATOM 1183 CD1 TYR A 78 5.013 -5.761 -2.766 1.00 62.45 C ATOM 1184 CD2 TYR A 78 3.178 -6.390 -4.152 1.00 15.40 C ATOM 1185 CE1 TYR A 78 4.785 -6.857 -1.959 1.00 53.23 C ATOM 1186 CE2 TYR A 78 2.943 -7.489 -3.347 1.00 54.44 C ATOM 1187 CZ TYR A 78 3.750 -7.717 -2.254 1.00 33.32 C ATOM 1188 OH TYR A 78 3.521 -8.809 -1.451 1.00 61.11 O ATOM 0 H TYR A 78 5.833 -2.856 -7.013 1.00 33.42 H new ATOM 0 HA TYR A 78 6.508 -4.876 -5.032 1.00 11.03 H new ATOM 0 HB2 TYR A 78 4.556 -3.420 -4.118 1.00 34.21 H new ATOM 0 HB3 TYR A 78 3.603 -4.147 -5.396 1.00 34.21 H new ATOM 0 HD1 TYR A 78 5.825 -5.088 -2.531 1.00 62.45 H new ATOM 0 HD2 TYR A 78 2.545 -6.214 -5.009 1.00 15.40 H new ATOM 0 HE1 TYR A 78 5.415 -7.040 -1.101 1.00 53.23 H new ATOM 0 HE2 TYR A 78 2.132 -8.165 -3.574 1.00 54.44 H new ATOM 0 HH TYR A 78 2.754 -9.313 -1.795 1.00 61.11 H new ATOM 1198 N ALA A 79 6.013 -4.786 -7.992 1.00 52.55 N ATOM 1199 CA ALA A 79 5.719 -5.339 -9.310 1.00 73.25 C ATOM 1200 C ALA A 79 6.239 -6.762 -9.466 1.00 33.41 C ATOM 1201 O ALA A 79 5.605 -7.595 -10.116 1.00 64.14 O ATOM 1202 CB ALA A 79 6.311 -4.439 -10.389 1.00 21.45 C ATOM 0 H ALA A 79 6.681 -4.015 -8.007 1.00 52.55 H new ATOM 0 HA ALA A 79 4.635 -5.380 -9.418 1.00 73.25 H new ATOM 0 HB1 ALA A 79 6.089 -4.855 -11.372 1.00 21.45 H new ATOM 0 HB2 ALA A 79 5.876 -3.443 -10.310 1.00 21.45 H new ATOM 0 HB3 ALA A 79 7.391 -4.375 -10.257 1.00 21.45 H new ATOM 1208 N GLY A 80 7.388 -7.038 -8.866 1.00 35.34 N ATOM 1209 CA GLY A 80 7.997 -8.347 -8.992 1.00 14.42 C ATOM 1210 C GLY A 80 7.133 -9.455 -8.420 1.00 14.03 C ATOM 1211 O GLY A 80 6.990 -10.515 -9.022 1.00 14.11 O ATOM 0 H GLY A 80 7.911 -6.377 -8.292 1.00 35.34 H new ATOM 0 HA2 GLY A 80 8.193 -8.552 -10.045 1.00 14.42 H new ATOM 0 HA3 GLY A 80 8.961 -8.345 -8.483 1.00 14.42 H new ATOM 1215 N ILE A 81 6.550 -9.199 -7.259 1.00 33.22 N ATOM 1216 CA ILE A 81 5.741 -10.194 -6.557 1.00 14.03 C ATOM 1217 C ILE A 81 4.359 -10.344 -7.205 1.00 72.01 C ATOM 1218 O ILE A 81 3.680 -11.359 -7.037 1.00 72.31 O ATOM 1219 CB ILE A 81 5.567 -9.807 -5.068 1.00 31.41 C ATOM 1220 CG1 ILE A 81 6.927 -9.501 -4.426 1.00 54.21 C ATOM 1221 CG2 ILE A 81 4.852 -10.910 -4.297 1.00 3.43 C ATOM 1222 CD1 ILE A 81 7.900 -10.660 -4.474 1.00 30.14 C ATOM 0 H ILE A 81 6.621 -8.303 -6.776 1.00 33.22 H new ATOM 0 HA ILE A 81 6.267 -11.146 -6.625 1.00 14.03 H new ATOM 0 HB ILE A 81 4.952 -8.908 -5.025 1.00 31.41 H new ATOM 0 HG12 ILE A 81 7.372 -8.644 -4.931 1.00 54.21 H new ATOM 0 HG13 ILE A 81 6.771 -9.213 -3.387 1.00 54.21 H new ATOM 0 HG21 ILE A 81 4.743 -10.613 -3.254 1.00 3.43 H new ATOM 0 HG22 ILE A 81 3.867 -11.078 -4.732 1.00 3.43 H new ATOM 0 HG23 ILE A 81 5.435 -11.830 -4.353 1.00 3.43 H new ATOM 0 HD11 ILE A 81 8.838 -10.368 -4.001 1.00 30.14 H new ATOM 0 HD12 ILE A 81 7.477 -11.513 -3.943 1.00 30.14 H new ATOM 0 HD13 ILE A 81 8.087 -10.935 -5.512 1.00 30.14 H new ATOM 1234 N ALA A 82 3.959 -9.333 -7.960 1.00 55.11 N ATOM 1235 CA ALA A 82 2.592 -9.242 -8.465 1.00 50.42 C ATOM 1236 C ALA A 82 2.281 -10.265 -9.559 1.00 30.45 C ATOM 1237 O ALA A 82 1.116 -10.450 -9.915 1.00 72.20 O ATOM 1238 CB ALA A 82 2.321 -7.834 -8.968 1.00 71.41 C ATOM 0 H ALA A 82 4.562 -8.559 -8.239 1.00 55.11 H new ATOM 0 HA ALA A 82 1.931 -9.475 -7.630 1.00 50.42 H new ATOM 0 HB1 ALA A 82 1.300 -7.772 -9.344 1.00 71.41 H new ATOM 0 HB2 ALA A 82 2.451 -7.124 -8.151 1.00 71.41 H new ATOM 0 HB3 ALA A 82 3.018 -7.594 -9.771 1.00 71.41 H new ATOM 1244 N PHE A 83 3.297 -10.949 -10.081 1.00 1.03 N ATOM 1245 CA PHE A 83 3.070 -11.899 -11.170 1.00 63.11 C ATOM 1246 C PHE A 83 2.293 -13.119 -10.671 1.00 41.22 C ATOM 1247 O PHE A 83 1.702 -13.858 -11.457 1.00 34.31 O ATOM 1248 CB PHE A 83 4.391 -12.326 -11.836 1.00 2.04 C ATOM 1249 CG PHE A 83 5.159 -13.405 -11.116 1.00 32.32 C ATOM 1250 CD1 PHE A 83 6.050 -13.090 -10.107 1.00 51.44 C ATOM 1251 CD2 PHE A 83 5.005 -14.737 -11.475 1.00 65.53 C ATOM 1252 CE1 PHE A 83 6.771 -14.079 -9.466 1.00 44.13 C ATOM 1253 CE2 PHE A 83 5.720 -15.730 -10.834 1.00 20.13 C ATOM 1254 CZ PHE A 83 6.607 -15.400 -9.829 1.00 23.33 C ATOM 0 H PHE A 83 4.267 -10.867 -9.776 1.00 1.03 H new ATOM 0 HA PHE A 83 2.470 -11.394 -11.927 1.00 63.11 H new ATOM 0 HB2 PHE A 83 4.174 -12.671 -12.847 1.00 2.04 H new ATOM 0 HB3 PHE A 83 5.031 -11.449 -11.930 1.00 2.04 H new ATOM 0 HD1 PHE A 83 6.184 -12.059 -9.816 1.00 51.44 H new ATOM 0 HD2 PHE A 83 4.318 -15.000 -12.265 1.00 65.53 H new ATOM 0 HE1 PHE A 83 7.464 -13.818 -8.680 1.00 44.13 H new ATOM 0 HE2 PHE A 83 5.585 -16.763 -11.119 1.00 20.13 H new ATOM 0 HZ PHE A 83 7.171 -16.173 -9.328 1.00 23.33 H new ATOM 1264 N TRP A 84 2.279 -13.303 -9.356 1.00 64.33 N ATOM 1265 CA TRP A 84 1.544 -14.399 -8.738 1.00 30.11 C ATOM 1266 C TRP A 84 0.034 -14.217 -8.903 1.00 53.44 C ATOM 1267 O TRP A 84 -0.733 -15.167 -8.772 1.00 32.34 O ATOM 1268 CB TRP A 84 1.887 -14.490 -7.250 1.00 51.14 C ATOM 1269 CG TRP A 84 3.263 -15.007 -6.963 1.00 25.11 C ATOM 1270 CD1 TRP A 84 4.426 -14.292 -6.930 1.00 34.44 C ATOM 1271 CD2 TRP A 84 3.616 -16.356 -6.645 1.00 62.45 C ATOM 1272 NE1 TRP A 84 5.478 -15.117 -6.622 1.00 12.43 N ATOM 1273 CE2 TRP A 84 5.006 -16.388 -6.444 1.00 65.32 C ATOM 1274 CE3 TRP A 84 2.890 -17.543 -6.514 1.00 63.45 C ATOM 1275 CZ2 TRP A 84 5.683 -17.557 -6.122 1.00 33.05 C ATOM 1276 CZ3 TRP A 84 3.564 -18.704 -6.193 1.00 62.22 C ATOM 1277 CH2 TRP A 84 4.948 -18.704 -5.999 1.00 42.44 C ATOM 0 H TRP A 84 2.772 -12.703 -8.694 1.00 64.33 H new ATOM 0 HA TRP A 84 1.838 -15.321 -9.239 1.00 30.11 H new ATOM 0 HB2 TRP A 84 1.784 -13.501 -6.805 1.00 51.14 H new ATOM 0 HB3 TRP A 84 1.159 -15.138 -6.761 1.00 51.14 H new ATOM 0 HD1 TRP A 84 4.506 -13.232 -7.119 1.00 34.44 H new ATOM 0 HE1 TRP A 84 6.453 -14.829 -6.539 1.00 12.43 H new ATOM 0 HE3 TRP A 84 1.820 -17.552 -6.661 1.00 63.45 H new ATOM 0 HZ2 TRP A 84 6.753 -17.560 -5.974 1.00 33.05 H new ATOM 0 HZ3 TRP A 84 3.013 -19.627 -6.090 1.00 62.22 H new ATOM 0 HH2 TRP A 84 5.447 -19.628 -5.747 1.00 42.44 H new ATOM 1288 N ALA A 85 -0.381 -12.991 -9.204 1.00 22.34 N ATOM 1289 CA ALA A 85 -1.798 -12.660 -9.312 1.00 10.45 C ATOM 1290 C ALA A 85 -2.319 -12.854 -10.735 1.00 11.43 C ATOM 1291 O ALA A 85 -3.499 -12.620 -11.005 1.00 70.13 O ATOM 1292 CB ALA A 85 -2.026 -11.227 -8.859 1.00 61.50 C ATOM 0 H ALA A 85 0.247 -12.206 -9.378 1.00 22.34 H new ATOM 0 HA ALA A 85 -2.353 -13.340 -8.666 1.00 10.45 H new ATOM 0 HB1 ALA A 85 -3.085 -10.984 -8.941 1.00 61.50 H new ATOM 0 HB2 ALA A 85 -1.708 -11.118 -7.822 1.00 61.50 H new ATOM 0 HB3 ALA A 85 -1.448 -10.550 -9.489 1.00 61.50 H new ATOM 1298 N THR A 86 -1.443 -13.267 -11.644 1.00 62.21 N ATOM 1299 CA THR A 86 -1.841 -13.480 -13.030 1.00 15.10 C ATOM 1300 C THR A 86 -1.160 -14.709 -13.630 1.00 14.41 C ATOM 1301 O THR A 86 -1.372 -15.037 -14.799 1.00 4.12 O ATOM 1302 CB THR A 86 -1.529 -12.239 -13.896 1.00 64.50 C ATOM 1303 OG1 THR A 86 -2.045 -12.414 -15.222 1.00 72.51 O ATOM 1304 CG2 THR A 86 -0.030 -11.973 -13.956 1.00 23.14 C ATOM 0 H THR A 86 -0.461 -13.460 -11.449 1.00 62.21 H new ATOM 0 HA THR A 86 -2.918 -13.649 -13.027 1.00 15.10 H new ATOM 0 HB THR A 86 -2.013 -11.379 -13.433 1.00 64.50 H new ATOM 0 HG1 THR A 86 -1.870 -13.330 -15.523 1.00 72.51 H new ATOM 0 HG21 THR A 86 0.159 -11.094 -14.572 1.00 23.14 H new ATOM 0 HG22 THR A 86 0.349 -11.799 -12.949 1.00 23.14 H new ATOM 0 HG23 THR A 86 0.476 -12.836 -14.390 1.00 23.14 H new ATOM 1312 N GLY A 87 -0.345 -15.386 -12.835 1.00 62.34 N ATOM 1313 CA GLY A 87 0.341 -16.565 -13.320 1.00 3.12 C ATOM 1314 C GLY A 87 -0.487 -17.818 -13.129 1.00 44.10 C ATOM 1315 O GLY A 87 -1.425 -18.080 -13.885 1.00 11.21 O ATOM 0 H GLY A 87 -0.147 -15.141 -11.865 1.00 62.34 H new ATOM 0 HA2 GLY A 87 0.573 -16.441 -14.378 1.00 3.12 H new ATOM 0 HA3 GLY A 87 1.291 -16.674 -12.796 1.00 3.12 H new ATOM 1319 N GLU A 88 -0.131 -18.604 -12.129 1.00 74.10 N ATOM 1320 CA GLU A 88 -0.900 -19.783 -11.780 1.00 1.12 C ATOM 1321 C GLU A 88 -1.831 -19.464 -10.620 1.00 13.32 C ATOM 1322 O GLU A 88 -3.053 -19.562 -10.740 1.00 23.22 O ATOM 1323 CB GLU A 88 0.042 -20.920 -11.400 1.00 41.32 C ATOM 1324 CG GLU A 88 1.067 -21.231 -12.476 1.00 73.34 C ATOM 1325 CD GLU A 88 2.060 -22.282 -12.043 1.00 21.31 C ATOM 1326 OE1 GLU A 88 2.966 -21.956 -11.249 1.00 12.41 O ATOM 1327 OE2 GLU A 88 1.948 -23.436 -12.505 1.00 64.14 O ATOM 0 H GLU A 88 0.689 -18.446 -11.543 1.00 74.10 H new ATOM 0 HA GLU A 88 -1.497 -20.091 -12.638 1.00 1.12 H new ATOM 0 HB2 GLU A 88 0.561 -20.661 -10.477 1.00 41.32 H new ATOM 0 HB3 GLU A 88 -0.544 -21.816 -11.195 1.00 41.32 H new ATOM 0 HG2 GLU A 88 0.553 -21.570 -13.375 1.00 73.34 H new ATOM 0 HG3 GLU A 88 1.601 -20.318 -12.739 1.00 73.34 H new ATOM 1334 N TRP A 89 -1.226 -19.067 -9.507 1.00 54.34 N ATOM 1335 CA TRP A 89 -1.944 -18.668 -8.305 1.00 63.31 C ATOM 1336 C TRP A 89 -0.944 -18.163 -7.279 1.00 35.10 C ATOM 1337 O TRP A 89 0.222 -18.549 -7.315 1.00 20.14 O ATOM 1338 CB TRP A 89 -2.749 -19.841 -7.718 1.00 23.44 C ATOM 1339 CG TRP A 89 -1.922 -21.060 -7.408 1.00 43.40 C ATOM 1340 CD1 TRP A 89 -1.083 -21.240 -6.343 1.00 33.35 C ATOM 1341 CD2 TRP A 89 -1.869 -22.273 -8.168 1.00 34.30 C ATOM 1342 NE1 TRP A 89 -0.500 -22.480 -6.407 1.00 63.23 N ATOM 1343 CE2 TRP A 89 -0.970 -23.136 -7.514 1.00 31.10 C ATOM 1344 CE3 TRP A 89 -2.494 -22.713 -9.338 1.00 32.04 C ATOM 1345 CZ2 TRP A 89 -0.680 -24.411 -7.995 1.00 72.12 C ATOM 1346 CZ3 TRP A 89 -2.207 -23.977 -9.814 1.00 42.12 C ATOM 1347 CH2 TRP A 89 -1.308 -24.815 -9.143 1.00 52.42 C ATOM 0 H TRP A 89 -0.212 -19.013 -9.414 1.00 54.34 H new ATOM 0 HA TRP A 89 -2.649 -17.878 -8.564 1.00 63.31 H new ATOM 0 HB2 TRP A 89 -3.242 -19.508 -6.805 1.00 23.44 H new ATOM 0 HB3 TRP A 89 -3.534 -20.117 -8.422 1.00 23.44 H new ATOM 0 HD1 TRP A 89 -0.905 -20.512 -5.565 1.00 33.35 H new ATOM 0 HE1 TRP A 89 0.174 -22.853 -5.739 1.00 63.23 H new ATOM 0 HE3 TRP A 89 -3.190 -22.075 -9.861 1.00 32.04 H new ATOM 0 HZ2 TRP A 89 0.015 -25.058 -7.481 1.00 72.12 H new ATOM 0 HZ3 TRP A 89 -2.684 -24.325 -10.719 1.00 42.12 H new ATOM 0 HH2 TRP A 89 -1.106 -25.799 -9.539 1.00 52.42 H new ATOM 1358 N LYS A 90 -1.381 -17.293 -6.384 1.00 3.51 N ATOM 1359 CA LYS A 90 -0.518 -16.835 -5.309 1.00 65.34 C ATOM 1360 C LYS A 90 -0.889 -17.521 -4.011 1.00 14.41 C ATOM 1361 O LYS A 90 -1.961 -17.276 -3.456 1.00 64.25 O ATOM 1362 CB LYS A 90 -0.621 -15.321 -5.114 1.00 73.51 C ATOM 1363 CG LYS A 90 0.290 -14.793 -4.015 1.00 32.42 C ATOM 1364 CD LYS A 90 -0.108 -13.396 -3.569 1.00 14.33 C ATOM 1365 CE LYS A 90 -0.138 -12.414 -4.727 1.00 22.32 C ATOM 1366 NZ LYS A 90 -0.348 -11.021 -4.254 1.00 73.33 N ATOM 0 H LYS A 90 -2.319 -16.893 -6.380 1.00 3.51 H new ATOM 0 HA LYS A 90 0.506 -17.085 -5.585 1.00 65.34 H new ATOM 0 HB2 LYS A 90 -0.374 -14.823 -6.052 1.00 73.51 H new ATOM 0 HB3 LYS A 90 -1.653 -15.061 -4.877 1.00 73.51 H new ATOM 0 HG2 LYS A 90 0.258 -15.469 -3.161 1.00 32.42 H new ATOM 0 HG3 LYS A 90 1.320 -14.780 -4.372 1.00 32.42 H new ATOM 0 HD2 LYS A 90 -1.091 -13.432 -3.099 1.00 14.33 H new ATOM 0 HD3 LYS A 90 0.594 -13.043 -2.813 1.00 14.33 H new ATOM 0 HE2 LYS A 90 0.799 -12.474 -5.281 1.00 22.32 H new ATOM 0 HE3 LYS A 90 -0.935 -12.689 -5.418 1.00 22.32 H new ATOM 0 HZ1 LYS A 90 -0.363 -10.376 -5.070 1.00 73.33 H new ATOM 0 HZ2 LYS A 90 -1.254 -10.959 -3.747 1.00 73.33 H new ATOM 0 HZ3 LYS A 90 0.426 -10.751 -3.614 1.00 73.33 H new ATOM 1380 N ALA A 91 -0.011 -18.371 -3.523 1.00 71.11 N ATOM 1381 CA ALA A 91 -0.208 -18.973 -2.223 1.00 72.44 C ATOM 1382 C ALA A 91 0.758 -18.364 -1.223 1.00 32.12 C ATOM 1383 O ALA A 91 1.873 -18.849 -1.037 1.00 3.14 O ATOM 1384 CB ALA A 91 -0.055 -20.484 -2.282 1.00 30.03 C ATOM 0 H ALA A 91 0.841 -18.659 -4.004 1.00 71.11 H new ATOM 0 HA ALA A 91 -1.228 -18.767 -1.897 1.00 72.44 H new ATOM 0 HB1 ALA A 91 -0.209 -20.904 -1.288 1.00 30.03 H new ATOM 0 HB2 ALA A 91 -0.793 -20.898 -2.970 1.00 30.03 H new ATOM 0 HB3 ALA A 91 0.947 -20.735 -2.631 1.00 30.03 H new ATOM 1390 N LYS A 92 0.332 -17.268 -0.612 1.00 3.12 N ATOM 1391 CA LYS A 92 1.135 -16.590 0.394 1.00 63.03 C ATOM 1392 C LYS A 92 0.865 -17.215 1.755 1.00 43.32 C ATOM 1393 O LYS A 92 1.689 -17.162 2.666 1.00 64.14 O ATOM 1394 CB LYS A 92 0.802 -15.093 0.417 1.00 40.11 C ATOM 1395 CG LYS A 92 1.712 -14.271 1.319 1.00 44.24 C ATOM 1396 CD LYS A 92 3.143 -14.248 0.803 1.00 74.43 C ATOM 1397 CE LYS A 92 4.069 -13.537 1.777 1.00 22.11 C ATOM 1398 NZ LYS A 92 5.460 -13.427 1.256 1.00 70.02 N ATOM 0 H LYS A 92 -0.569 -16.828 -0.797 1.00 3.12 H new ATOM 0 HA LYS A 92 2.192 -16.701 0.151 1.00 63.03 H new ATOM 0 HB2 LYS A 92 0.864 -14.702 -0.598 1.00 40.11 H new ATOM 0 HB3 LYS A 92 -0.230 -14.966 0.745 1.00 40.11 H new ATOM 0 HG2 LYS A 92 1.333 -13.251 1.386 1.00 44.24 H new ATOM 0 HG3 LYS A 92 1.695 -14.685 2.327 1.00 44.24 H new ATOM 0 HD2 LYS A 92 3.492 -15.269 0.645 1.00 74.43 H new ATOM 0 HD3 LYS A 92 3.175 -13.747 -0.165 1.00 74.43 H new ATOM 0 HE2 LYS A 92 3.680 -12.540 1.982 1.00 22.11 H new ATOM 0 HE3 LYS A 92 4.080 -14.076 2.724 1.00 22.11 H new ATOM 0 HZ1 LYS A 92 6.054 -12.936 1.954 1.00 70.02 H new ATOM 0 HZ2 LYS A 92 5.843 -14.379 1.084 1.00 70.02 H new ATOM 0 HZ3 LYS A 92 5.456 -12.890 0.365 1.00 70.02 H new ATOM 1412 N ASN A 93 -0.310 -17.810 1.874 1.00 52.44 N ATOM 1413 CA ASN A 93 -0.711 -18.493 3.090 1.00 5.33 C ATOM 1414 C ASN A 93 -1.613 -19.673 2.751 1.00 22.55 C ATOM 1415 O ASN A 93 -1.180 -20.824 2.799 1.00 33.30 O ATOM 1416 CB ASN A 93 -1.417 -17.517 4.037 1.00 11.41 C ATOM 1417 CG ASN A 93 -1.934 -18.184 5.297 1.00 61.44 C ATOM 1418 OD1 ASN A 93 -3.098 -18.574 5.368 1.00 63.30 O ATOM 1419 ND2 ASN A 93 -1.071 -18.330 6.292 1.00 54.32 N ATOM 0 H ASN A 93 -1.010 -17.833 1.132 1.00 52.44 H new ATOM 0 HA ASN A 93 0.176 -18.874 3.596 1.00 5.33 H new ATOM 0 HB2 ASN A 93 -0.725 -16.721 4.312 1.00 11.41 H new ATOM 0 HB3 ASN A 93 -2.250 -17.049 3.512 1.00 11.41 H new ATOM 0 HD21 ASN A 93 -1.364 -18.781 7.159 1.00 54.32 H new ATOM 0 HD22 ASN A 93 -0.114 -17.992 6.191 1.00 54.32 H new ATOM 1426 N GLU A 94 -2.848 -19.379 2.364 1.00 1.41 N ATOM 1427 CA GLU A 94 -3.815 -20.414 2.010 1.00 55.54 C ATOM 1428 C GLU A 94 -5.000 -19.796 1.280 1.00 60.04 C ATOM 1429 O GLU A 94 -5.296 -20.149 0.139 1.00 3.05 O ATOM 1430 CB GLU A 94 -4.298 -21.145 3.269 1.00 3.13 C ATOM 1431 CG GLU A 94 -5.390 -22.170 3.007 1.00 73.41 C ATOM 1432 CD GLU A 94 -5.848 -22.871 4.268 1.00 72.32 C ATOM 1433 OE1 GLU A 94 -5.805 -22.250 5.350 1.00 14.30 O ATOM 1434 OE2 GLU A 94 -6.248 -24.050 4.184 1.00 61.44 O ATOM 0 H GLU A 94 -3.206 -18.427 2.287 1.00 1.41 H new ATOM 0 HA GLU A 94 -3.329 -21.134 1.351 1.00 55.54 H new ATOM 0 HB2 GLU A 94 -3.449 -21.645 3.735 1.00 3.13 H new ATOM 0 HB3 GLU A 94 -4.667 -20.410 3.984 1.00 3.13 H new ATOM 0 HG2 GLU A 94 -6.242 -21.676 2.541 1.00 73.41 H new ATOM 0 HG3 GLU A 94 -5.024 -22.911 2.297 1.00 73.41 H new ATOM 1441 N PHE A 95 -5.649 -18.850 1.943 1.00 35.11 N ATOM 1442 CA PHE A 95 -6.823 -18.175 1.400 1.00 11.35 C ATOM 1443 C PHE A 95 -6.486 -17.444 0.104 1.00 34.33 C ATOM 1444 O PHE A 95 -7.331 -17.292 -0.781 1.00 25.00 O ATOM 1445 CB PHE A 95 -7.368 -17.181 2.424 1.00 51.12 C ATOM 1446 CG PHE A 95 -7.541 -17.765 3.799 1.00 43.23 C ATOM 1447 CD1 PHE A 95 -8.589 -18.624 4.077 1.00 14.44 C ATOM 1448 CD2 PHE A 95 -6.652 -17.447 4.814 1.00 30.10 C ATOM 1449 CE1 PHE A 95 -8.749 -19.159 5.344 1.00 74.15 C ATOM 1450 CE2 PHE A 95 -6.806 -17.978 6.079 1.00 33.25 C ATOM 1451 CZ PHE A 95 -7.856 -18.834 6.346 1.00 3.52 C ATOM 0 H PHE A 95 -5.378 -18.528 2.872 1.00 35.11 H new ATOM 0 HA PHE A 95 -7.579 -18.929 1.182 1.00 11.35 H new ATOM 0 HB2 PHE A 95 -6.693 -16.327 2.484 1.00 51.12 H new ATOM 0 HB3 PHE A 95 -8.329 -16.804 2.075 1.00 51.12 H new ATOM 0 HD1 PHE A 95 -9.290 -18.880 3.297 1.00 14.44 H new ATOM 0 HD2 PHE A 95 -5.830 -16.776 4.613 1.00 30.10 H new ATOM 0 HE1 PHE A 95 -9.571 -19.829 5.548 1.00 74.15 H new ATOM 0 HE2 PHE A 95 -6.105 -17.724 6.860 1.00 33.25 H new ATOM 0 HZ PHE A 95 -7.979 -19.248 7.336 1.00 3.52 H new ATOM 1461 N THR A 96 -5.237 -17.007 0.008 1.00 13.34 N ATOM 1462 CA THR A 96 -4.752 -16.232 -1.126 1.00 23.24 C ATOM 1463 C THR A 96 -4.959 -16.968 -2.449 1.00 45.34 C ATOM 1464 O THR A 96 -5.163 -16.341 -3.489 1.00 70.32 O ATOM 1465 CB THR A 96 -3.258 -15.919 -0.949 1.00 33.11 C ATOM 1466 OG1 THR A 96 -2.799 -16.440 0.311 1.00 70.45 O ATOM 1467 CG2 THR A 96 -3.007 -14.422 -1.007 1.00 53.32 C ATOM 0 H THR A 96 -4.527 -17.182 0.720 1.00 13.34 H new ATOM 0 HA THR A 96 -5.327 -15.307 -1.158 1.00 23.24 H new ATOM 0 HB THR A 96 -2.708 -16.392 -1.763 1.00 33.11 H new ATOM 0 HG1 THR A 96 -3.148 -15.886 1.041 1.00 70.45 H new ATOM 0 HG21 THR A 96 -1.942 -14.226 -0.879 1.00 53.32 H new ATOM 0 HG22 THR A 96 -3.334 -14.035 -1.972 1.00 53.32 H new ATOM 0 HG23 THR A 96 -3.565 -13.928 -0.211 1.00 53.32 H new ATOM 1475 N GLN A 97 -4.919 -18.297 -2.390 1.00 33.55 N ATOM 1476 CA GLN A 97 -5.081 -19.144 -3.565 1.00 75.25 C ATOM 1477 C GLN A 97 -6.373 -18.825 -4.312 1.00 35.30 C ATOM 1478 O GLN A 97 -6.394 -18.747 -5.540 1.00 71.45 O ATOM 1479 CB GLN A 97 -5.078 -20.606 -3.117 1.00 11.53 C ATOM 1480 CG GLN A 97 -4.282 -21.537 -4.008 1.00 14.43 C ATOM 1481 CD GLN A 97 -5.092 -22.049 -5.182 1.00 15.21 C ATOM 1482 OE1 GLN A 97 -5.089 -21.465 -6.263 1.00 1.11 O ATOM 1483 NE2 GLN A 97 -5.811 -23.139 -4.966 1.00 53.20 N ATOM 0 H GLN A 97 -4.773 -18.816 -1.524 1.00 33.55 H new ATOM 0 HA GLN A 97 -4.255 -18.957 -4.251 1.00 75.25 H new ATOM 0 HB2 GLN A 97 -4.677 -20.661 -2.105 1.00 11.53 H new ATOM 0 HB3 GLN A 97 -6.108 -20.960 -3.071 1.00 11.53 H new ATOM 0 HG2 GLN A 97 -3.401 -21.014 -4.379 1.00 14.43 H new ATOM 0 HG3 GLN A 97 -3.927 -22.383 -3.419 1.00 14.43 H new ATOM 0 HE21 GLN A 97 -5.786 -23.594 -4.054 1.00 53.20 H new ATOM 0 HE22 GLN A 97 -6.390 -23.524 -5.712 1.00 53.20 H new ATOM 1492 N ALA A 98 -7.442 -18.616 -3.558 1.00 72.25 N ATOM 1493 CA ALA A 98 -8.749 -18.366 -4.143 1.00 42.12 C ATOM 1494 C ALA A 98 -8.846 -16.952 -4.702 1.00 30.52 C ATOM 1495 O ALA A 98 -9.461 -16.728 -5.741 1.00 33.12 O ATOM 1496 CB ALA A 98 -9.843 -18.600 -3.111 1.00 33.25 C ATOM 0 H ALA A 98 -7.429 -18.615 -2.538 1.00 72.25 H new ATOM 0 HA ALA A 98 -8.884 -19.064 -4.969 1.00 42.12 H new ATOM 0 HB1 ALA A 98 -10.816 -18.409 -3.563 1.00 33.25 H new ATOM 0 HB2 ALA A 98 -9.801 -19.632 -2.763 1.00 33.25 H new ATOM 0 HB3 ALA A 98 -9.697 -17.926 -2.267 1.00 33.25 H new ATOM 1502 N TYR A 99 -8.235 -16.003 -4.006 1.00 52.14 N ATOM 1503 CA TYR A 99 -8.338 -14.595 -4.373 1.00 34.14 C ATOM 1504 C TYR A 99 -7.392 -14.223 -5.516 1.00 73.04 C ATOM 1505 O TYR A 99 -7.806 -13.609 -6.499 1.00 4.33 O ATOM 1506 CB TYR A 99 -8.053 -13.709 -3.157 1.00 42.42 C ATOM 1507 CG TYR A 99 -8.144 -12.224 -3.448 1.00 62.11 C ATOM 1508 CD1 TYR A 99 -9.378 -11.605 -3.622 1.00 25.31 C ATOM 1509 CD2 TYR A 99 -6.999 -11.441 -3.549 1.00 5.10 C ATOM 1510 CE1 TYR A 99 -9.466 -10.250 -3.890 1.00 55.01 C ATOM 1511 CE2 TYR A 99 -7.079 -10.088 -3.816 1.00 72.34 C ATOM 1512 CZ TYR A 99 -8.313 -9.496 -3.986 1.00 11.34 C ATOM 1513 OH TYR A 99 -8.393 -8.147 -4.253 1.00 55.24 O ATOM 0 H TYR A 99 -7.661 -16.182 -3.182 1.00 52.14 H new ATOM 0 HA TYR A 99 -9.357 -14.428 -4.721 1.00 34.14 H new ATOM 0 HB2 TYR A 99 -8.758 -13.958 -2.364 1.00 42.42 H new ATOM 0 HB3 TYR A 99 -7.056 -13.936 -2.780 1.00 42.42 H new ATOM 0 HD1 TYR A 99 -10.282 -12.191 -3.547 1.00 25.31 H new ATOM 0 HD2 TYR A 99 -6.030 -11.899 -3.416 1.00 5.10 H new ATOM 0 HE1 TYR A 99 -10.431 -9.785 -4.023 1.00 55.01 H new ATOM 0 HE2 TYR A 99 -6.179 -9.496 -3.891 1.00 72.34 H new ATOM 0 HH TYR A 99 -9.102 -7.985 -4.909 1.00 55.24 H new ATOM 1523 N ALA A 100 -6.128 -14.610 -5.387 1.00 22.42 N ATOM 1524 CA ALA A 100 -5.078 -14.115 -6.272 1.00 40.00 C ATOM 1525 C ALA A 100 -5.087 -14.794 -7.634 1.00 14.53 C ATOM 1526 O ALA A 100 -4.511 -14.271 -8.585 1.00 44.12 O ATOM 1527 CB ALA A 100 -3.722 -14.279 -5.612 1.00 15.51 C ATOM 0 H ALA A 100 -5.804 -15.266 -4.677 1.00 22.42 H new ATOM 0 HA ALA A 100 -5.278 -13.058 -6.445 1.00 40.00 H new ATOM 0 HB1 ALA A 100 -2.945 -13.907 -6.280 1.00 15.51 H new ATOM 0 HB2 ALA A 100 -3.700 -13.714 -4.680 1.00 15.51 H new ATOM 0 HB3 ALA A 100 -3.545 -15.334 -5.401 1.00 15.51 H new ATOM 1533 N LYS A 101 -5.748 -15.939 -7.731 1.00 45.31 N ATOM 1534 CA LYS A 101 -5.785 -16.693 -8.982 1.00 40.01 C ATOM 1535 C LYS A 101 -6.425 -15.868 -10.098 1.00 1.50 C ATOM 1536 O LYS A 101 -6.045 -15.975 -11.263 1.00 55.31 O ATOM 1537 CB LYS A 101 -6.545 -18.008 -8.789 1.00 70.44 C ATOM 1538 CG LYS A 101 -6.359 -18.988 -9.937 1.00 2.31 C ATOM 1539 CD LYS A 101 -7.045 -20.317 -9.659 1.00 54.52 C ATOM 1540 CE LYS A 101 -8.561 -20.186 -9.649 1.00 62.42 C ATOM 1541 NZ LYS A 101 -9.228 -21.474 -9.324 1.00 21.00 N ATOM 0 H LYS A 101 -6.265 -16.367 -6.963 1.00 45.31 H new ATOM 0 HA LYS A 101 -4.759 -16.920 -9.273 1.00 40.01 H new ATOM 0 HB2 LYS A 101 -6.214 -18.478 -7.863 1.00 70.44 H new ATOM 0 HB3 LYS A 101 -7.607 -17.792 -8.674 1.00 70.44 H new ATOM 0 HG2 LYS A 101 -6.761 -18.556 -10.853 1.00 2.31 H new ATOM 0 HG3 LYS A 101 -5.295 -19.156 -10.104 1.00 2.31 H new ATOM 0 HD2 LYS A 101 -6.749 -21.043 -10.416 1.00 54.52 H new ATOM 0 HD3 LYS A 101 -6.708 -20.704 -8.697 1.00 54.52 H new ATOM 0 HE2 LYS A 101 -8.855 -19.431 -8.920 1.00 62.42 H new ATOM 0 HE3 LYS A 101 -8.901 -19.837 -10.624 1.00 62.42 H new ATOM 0 HZ1 LYS A 101 -10.260 -21.341 -9.328 1.00 21.00 H new ATOM 0 HZ2 LYS A 101 -8.968 -22.188 -10.034 1.00 21.00 H new ATOM 0 HZ3 LYS A 101 -8.923 -21.795 -8.383 1.00 21.00 H new ATOM 1555 N LEU A 102 -7.388 -15.030 -9.732 1.00 0.45 N ATOM 1556 CA LEU A 102 -8.055 -14.160 -10.691 1.00 74.34 C ATOM 1557 C LEU A 102 -7.904 -12.700 -10.274 1.00 15.13 C ATOM 1558 O LEU A 102 -8.690 -11.840 -10.679 1.00 21.02 O ATOM 1559 CB LEU A 102 -9.540 -14.523 -10.798 1.00 15.01 C ATOM 1560 CG LEU A 102 -9.838 -15.944 -11.284 1.00 51.21 C ATOM 1561 CD1 LEU A 102 -11.333 -16.221 -11.229 1.00 32.20 C ATOM 1562 CD2 LEU A 102 -9.315 -16.146 -12.699 1.00 4.32 C ATOM 0 H LEU A 102 -7.725 -14.935 -8.774 1.00 0.45 H new ATOM 0 HA LEU A 102 -7.589 -14.299 -11.666 1.00 74.34 H new ATOM 0 HB2 LEU A 102 -10.000 -14.389 -9.819 1.00 15.01 H new ATOM 0 HB3 LEU A 102 -10.021 -13.818 -11.476 1.00 15.01 H new ATOM 0 HG LEU A 102 -9.329 -16.647 -10.624 1.00 51.21 H new ATOM 0 HD11 LEU A 102 -11.528 -17.235 -11.578 1.00 32.20 H new ATOM 0 HD12 LEU A 102 -11.685 -16.116 -10.203 1.00 32.20 H new ATOM 0 HD13 LEU A 102 -11.858 -15.510 -11.867 1.00 32.20 H new ATOM 0 HD21 LEU A 102 -9.536 -17.162 -13.027 1.00 4.32 H new ATOM 0 HD22 LEU A 102 -9.797 -15.435 -13.370 1.00 4.32 H new ATOM 0 HD23 LEU A 102 -8.237 -15.986 -12.715 1.00 4.32 H new ATOM 1574 N MET A 103 -6.866 -12.418 -9.491 1.00 33.13 N ATOM 1575 CA MET A 103 -6.663 -11.085 -8.929 1.00 54.43 C ATOM 1576 C MET A 103 -6.370 -10.060 -10.020 1.00 41.24 C ATOM 1577 O MET A 103 -6.839 -8.923 -9.952 1.00 21.30 O ATOM 1578 CB MET A 103 -5.521 -11.102 -7.911 1.00 73.33 C ATOM 1579 CG MET A 103 -5.304 -9.768 -7.208 1.00 13.50 C ATOM 1580 SD MET A 103 -3.924 -9.807 -6.047 1.00 63.54 S ATOM 1581 CE MET A 103 -4.045 -8.168 -5.331 1.00 73.22 C ATOM 0 H MET A 103 -6.150 -13.097 -9.231 1.00 33.13 H new ATOM 0 HA MET A 103 -7.586 -10.794 -8.427 1.00 54.43 H new ATOM 0 HB2 MET A 103 -5.725 -11.868 -7.162 1.00 73.33 H new ATOM 0 HB3 MET A 103 -4.600 -11.389 -8.417 1.00 73.33 H new ATOM 0 HG2 MET A 103 -5.123 -8.994 -7.954 1.00 13.50 H new ATOM 0 HG3 MET A 103 -6.214 -9.491 -6.675 1.00 13.50 H new ATOM 0 HE1 MET A 103 -3.351 -8.084 -4.494 1.00 73.22 H new ATOM 0 HE2 MET A 103 -3.795 -7.422 -6.085 1.00 73.22 H new ATOM 0 HE3 MET A 103 -5.062 -8.000 -4.977 1.00 73.22 H new ATOM 1591 N ASN A 104 -5.604 -10.467 -11.027 1.00 2.43 N ATOM 1592 CA ASN A 104 -5.257 -9.576 -12.133 1.00 52.53 C ATOM 1593 C ASN A 104 -6.505 -9.159 -12.901 1.00 23.23 C ATOM 1594 O ASN A 104 -6.597 -8.041 -13.397 1.00 63.51 O ATOM 1595 CB ASN A 104 -4.272 -10.257 -13.084 1.00 14.24 C ATOM 1596 CG ASN A 104 -3.766 -9.322 -14.167 1.00 23.01 C ATOM 1597 OD1 ASN A 104 -3.684 -8.115 -13.967 1.00 73.33 O ATOM 1598 ND2 ASN A 104 -3.409 -9.872 -15.314 1.00 50.31 N ATOM 0 H ASN A 104 -5.212 -11.405 -11.102 1.00 2.43 H new ATOM 0 HA ASN A 104 -4.788 -8.687 -11.712 1.00 52.53 H new ATOM 0 HB2 ASN A 104 -3.425 -10.638 -12.513 1.00 14.24 H new ATOM 0 HB3 ASN A 104 -4.756 -11.117 -13.548 1.00 14.24 H new ATOM 0 HD21 ASN A 104 -3.051 -9.288 -16.070 1.00 50.31 H new ATOM 0 HD22 ASN A 104 -3.491 -10.880 -15.444 1.00 50.31 H new ATOM 1605 N GLN A 105 -7.464 -10.064 -12.992 1.00 73.14 N ATOM 1606 CA GLN A 105 -8.719 -9.777 -13.668 1.00 50.33 C ATOM 1607 C GLN A 105 -9.557 -8.805 -12.842 1.00 4.13 C ATOM 1608 O GLN A 105 -10.292 -7.985 -13.387 1.00 53.12 O ATOM 1609 CB GLN A 105 -9.484 -11.080 -13.896 1.00 63.52 C ATOM 1610 CG GLN A 105 -10.228 -11.140 -15.222 1.00 42.11 C ATOM 1611 CD GLN A 105 -11.724 -10.888 -15.104 1.00 1.35 C ATOM 1612 OE1 GLN A 105 -12.512 -11.451 -15.862 1.00 44.35 O ATOM 1613 NE2 GLN A 105 -12.129 -10.023 -14.187 1.00 75.13 N ATOM 0 H GLN A 105 -7.398 -11.006 -12.606 1.00 73.14 H new ATOM 0 HA GLN A 105 -8.509 -9.312 -14.631 1.00 50.33 H new ATOM 0 HB2 GLN A 105 -8.783 -11.913 -13.847 1.00 63.52 H new ATOM 0 HB3 GLN A 105 -10.199 -11.216 -13.084 1.00 63.52 H new ATOM 0 HG2 GLN A 105 -9.798 -10.404 -15.902 1.00 42.11 H new ATOM 0 HG3 GLN A 105 -10.069 -12.120 -15.672 1.00 42.11 H new ATOM 0 HE21 GLN A 105 -11.449 -9.574 -13.574 1.00 75.13 H new ATOM 0 HE22 GLN A 105 -13.121 -9.806 -14.093 1.00 75.13 H new ATOM 1622 N TYR A 106 -9.435 -8.906 -11.526 1.00 10.44 N ATOM 1623 CA TYR A 106 -10.211 -8.075 -10.609 1.00 41.23 C ATOM 1624 C TYR A 106 -9.618 -6.671 -10.499 1.00 2.51 C ATOM 1625 O TYR A 106 -10.346 -5.688 -10.345 1.00 45.55 O ATOM 1626 CB TYR A 106 -10.268 -8.738 -9.228 1.00 64.33 C ATOM 1627 CG TYR A 106 -11.002 -7.931 -8.178 1.00 33.34 C ATOM 1628 CD1 TYR A 106 -12.384 -7.797 -8.210 1.00 14.32 C ATOM 1629 CD2 TYR A 106 -10.308 -7.312 -7.150 1.00 32.35 C ATOM 1630 CE1 TYR A 106 -13.051 -7.065 -7.245 1.00 0.52 C ATOM 1631 CE2 TYR A 106 -10.966 -6.580 -6.185 1.00 42.43 C ATOM 1632 CZ TYR A 106 -12.336 -6.459 -6.237 1.00 33.12 C ATOM 1633 OH TYR A 106 -12.993 -5.731 -5.273 1.00 44.05 O ATOM 0 H TYR A 106 -8.802 -9.559 -11.064 1.00 10.44 H new ATOM 0 HA TYR A 106 -11.222 -7.980 -11.005 1.00 41.23 H new ATOM 0 HB2 TYR A 106 -10.751 -9.711 -9.325 1.00 64.33 H new ATOM 0 HB3 TYR A 106 -9.250 -8.920 -8.883 1.00 64.33 H new ATOM 0 HD1 TYR A 106 -12.946 -8.272 -9.001 1.00 14.32 H new ATOM 0 HD2 TYR A 106 -9.233 -7.405 -7.104 1.00 32.35 H new ATOM 0 HE1 TYR A 106 -14.126 -6.969 -7.282 1.00 0.52 H new ATOM 0 HE2 TYR A 106 -10.409 -6.104 -5.392 1.00 42.43 H new ATOM 0 HH TYR A 106 -12.342 -5.371 -4.635 1.00 44.05 H new ATOM 1643 N ARG A 107 -8.295 -6.576 -10.577 1.00 2.10 N ATOM 1644 CA ARG A 107 -7.621 -5.295 -10.451 1.00 14.14 C ATOM 1645 C ARG A 107 -7.937 -4.395 -11.645 1.00 31.43 C ATOM 1646 O ARG A 107 -8.340 -4.868 -12.708 1.00 15.00 O ATOM 1647 CB ARG A 107 -6.104 -5.493 -10.271 1.00 12.50 C ATOM 1648 CG ARG A 107 -5.368 -6.051 -11.480 1.00 21.20 C ATOM 1649 CD ARG A 107 -4.898 -4.955 -12.430 1.00 62.34 C ATOM 1650 NE ARG A 107 -4.210 -5.510 -13.590 1.00 32.03 N ATOM 1651 CZ ARG A 107 -3.354 -4.835 -14.354 1.00 42.25 C ATOM 1652 NH1 ARG A 107 -3.040 -3.579 -14.065 1.00 53.51 N ATOM 1653 NH2 ARG A 107 -2.796 -5.431 -15.400 1.00 34.05 N ATOM 0 H ARG A 107 -7.672 -7.370 -10.726 1.00 2.10 H new ATOM 0 HA ARG A 107 -7.995 -4.794 -9.558 1.00 14.14 H new ATOM 0 HB2 ARG A 107 -5.659 -4.534 -10.008 1.00 12.50 H new ATOM 0 HB3 ARG A 107 -5.940 -6.163 -9.427 1.00 12.50 H new ATOM 0 HG2 ARG A 107 -4.508 -6.630 -11.143 1.00 21.20 H new ATOM 0 HG3 ARG A 107 -6.024 -6.737 -12.017 1.00 21.20 H new ATOM 0 HD2 ARG A 107 -5.754 -4.367 -12.761 1.00 62.34 H new ATOM 0 HD3 ARG A 107 -4.230 -4.275 -11.901 1.00 62.34 H new ATOM 0 HE ARG A 107 -4.398 -6.483 -13.833 1.00 32.03 H new ATOM 0 HH11 ARG A 107 -3.455 -3.124 -13.252 1.00 53.51 H new ATOM 0 HH12 ARG A 107 -2.383 -3.069 -14.655 1.00 53.51 H new ATOM 0 HH21 ARG A 107 -3.024 -6.402 -15.615 1.00 34.05 H new ATOM 0 HH22 ARG A 107 -2.139 -4.918 -15.989 1.00 34.05 H new ATOM 1667 N GLY A 108 -7.748 -3.100 -11.457 1.00 74.11 N ATOM 1668 CA GLY A 108 -8.125 -2.132 -12.463 1.00 73.12 C ATOM 1669 C GLY A 108 -8.486 -0.814 -11.819 1.00 42.21 C ATOM 1670 O GLY A 108 -8.062 0.248 -12.273 1.00 22.41 O ATOM 0 H GLY A 108 -7.335 -2.698 -10.615 1.00 74.11 H new ATOM 0 HA2 GLY A 108 -7.303 -1.988 -13.164 1.00 73.12 H new ATOM 0 HA3 GLY A 108 -8.972 -2.507 -13.038 1.00 73.12 H new ATOM 1674 N ILE A 109 -9.272 -0.894 -10.749 1.00 73.11 N ATOM 1675 CA ILE A 109 -9.569 0.268 -9.925 1.00 42.13 C ATOM 1676 C ILE A 109 -8.347 0.583 -9.082 1.00 12.44 C ATOM 1677 O ILE A 109 -7.980 1.739 -8.884 1.00 20.44 O ATOM 1678 CB ILE A 109 -10.776 0.032 -8.987 1.00 73.21 C ATOM 1679 CG1 ILE A 109 -11.989 -0.502 -9.755 1.00 70.40 C ATOM 1680 CG2 ILE A 109 -11.139 1.318 -8.264 1.00 11.00 C ATOM 1681 CD1 ILE A 109 -11.974 -2.005 -9.960 1.00 35.51 C ATOM 0 H ILE A 109 -9.715 -1.757 -10.433 1.00 73.11 H new ATOM 0 HA ILE A 109 -9.824 1.095 -10.588 1.00 42.13 H new ATOM 0 HB ILE A 109 -10.486 -0.722 -8.255 1.00 73.21 H new ATOM 0 HG12 ILE A 109 -12.897 -0.228 -9.217 1.00 70.40 H new ATOM 0 HG13 ILE A 109 -12.035 -0.013 -10.728 1.00 70.40 H new ATOM 0 HG21 ILE A 109 -11.990 1.138 -7.607 1.00 11.00 H new ATOM 0 HG22 ILE A 109 -10.288 1.655 -7.672 1.00 11.00 H new ATOM 0 HG23 ILE A 109 -11.400 2.085 -8.994 1.00 11.00 H new ATOM 0 HD11 ILE A 109 -12.865 -2.306 -10.511 1.00 35.51 H new ATOM 0 HD12 ILE A 109 -11.085 -2.286 -10.525 1.00 35.51 H new ATOM 0 HD13 ILE A 109 -11.961 -2.504 -8.991 1.00 35.51 H new ATOM 1693 N TYR A 110 -7.714 -0.469 -8.593 1.00 44.14 N ATOM 1694 CA TYR A 110 -6.432 -0.340 -7.937 1.00 51.24 C ATOM 1695 C TYR A 110 -5.374 -0.967 -8.826 1.00 75.24 C ATOM 1696 O TYR A 110 -5.642 -1.968 -9.503 1.00 5.41 O ATOM 1697 CB TYR A 110 -6.446 -1.006 -6.550 1.00 50.10 C ATOM 1698 CG TYR A 110 -6.634 -2.513 -6.563 1.00 71.20 C ATOM 1699 CD1 TYR A 110 -7.896 -3.079 -6.687 1.00 30.31 C ATOM 1700 CD2 TYR A 110 -5.542 -3.367 -6.442 1.00 71.42 C ATOM 1701 CE1 TYR A 110 -8.067 -4.452 -6.690 1.00 73.21 C ATOM 1702 CE2 TYR A 110 -5.706 -4.740 -6.444 1.00 10.42 C ATOM 1703 CZ TYR A 110 -6.968 -5.278 -6.569 1.00 44.13 C ATOM 1704 OH TYR A 110 -7.131 -6.646 -6.572 1.00 40.12 O ATOM 0 H TYR A 110 -8.071 -1.423 -8.640 1.00 44.14 H new ATOM 0 HA TYR A 110 -6.208 0.715 -7.781 1.00 51.24 H new ATOM 0 HB2 TYR A 110 -5.508 -0.776 -6.044 1.00 50.10 H new ATOM 0 HB3 TYR A 110 -7.245 -0.560 -5.958 1.00 50.10 H new ATOM 0 HD1 TYR A 110 -8.759 -2.436 -6.783 1.00 30.31 H new ATOM 0 HD2 TYR A 110 -4.550 -2.951 -6.345 1.00 71.42 H new ATOM 0 HE1 TYR A 110 -9.056 -4.875 -6.787 1.00 73.21 H new ATOM 0 HE2 TYR A 110 -4.848 -5.388 -6.348 1.00 10.42 H new ATOM 0 HH TYR A 110 -7.540 -6.929 -5.728 1.00 40.12 H new ATOM 1714 N SER A 111 -4.186 -0.387 -8.829 1.00 65.23 N ATOM 1715 CA SER A 111 -3.099 -0.885 -9.648 1.00 64.10 C ATOM 1716 C SER A 111 -1.811 -0.177 -9.261 1.00 1.15 C ATOM 1717 O SER A 111 -1.839 0.892 -8.644 1.00 62.21 O ATOM 1718 CB SER A 111 -3.405 -0.672 -11.139 1.00 1.32 C ATOM 1719 OG SER A 111 -2.589 -1.498 -11.957 1.00 72.45 O ATOM 0 H SER A 111 -3.951 0.433 -8.270 1.00 65.23 H new ATOM 0 HA SER A 111 -2.984 -1.956 -9.478 1.00 64.10 H new ATOM 0 HB2 SER A 111 -4.455 -0.890 -11.332 1.00 1.32 H new ATOM 0 HB3 SER A 111 -3.244 0.374 -11.400 1.00 1.32 H new ATOM 0 HG SER A 111 -2.690 -1.232 -12.895 1.00 72.45 H new ATOM 1725 N PHE A 112 -0.692 -0.780 -9.613 1.00 52.44 N ATOM 1726 CA PHE A 112 0.611 -0.239 -9.281 1.00 44.12 C ATOM 1727 C PHE A 112 1.315 0.230 -10.543 1.00 3.22 C ATOM 1728 O PHE A 112 1.181 -0.387 -11.602 1.00 72.13 O ATOM 1729 CB PHE A 112 1.458 -1.302 -8.568 1.00 63.50 C ATOM 1730 CG PHE A 112 1.615 -2.573 -9.360 1.00 14.21 C ATOM 1731 CD1 PHE A 112 0.659 -3.573 -9.285 1.00 64.03 C ATOM 1732 CD2 PHE A 112 2.712 -2.761 -10.188 1.00 54.22 C ATOM 1733 CE1 PHE A 112 0.791 -4.734 -10.020 1.00 14.44 C ATOM 1734 CE2 PHE A 112 2.848 -3.923 -10.924 1.00 71.22 C ATOM 1735 CZ PHE A 112 1.886 -4.909 -10.841 1.00 3.54 C ATOM 0 H PHE A 112 -0.661 -1.656 -10.135 1.00 52.44 H new ATOM 0 HA PHE A 112 0.480 0.612 -8.612 1.00 44.12 H new ATOM 0 HB2 PHE A 112 2.445 -0.889 -8.359 1.00 63.50 H new ATOM 0 HB3 PHE A 112 1.000 -1.536 -7.607 1.00 63.50 H new ATOM 0 HD1 PHE A 112 -0.200 -3.443 -8.644 1.00 64.03 H new ATOM 0 HD2 PHE A 112 3.467 -1.992 -10.258 1.00 54.22 H new ATOM 0 HE1 PHE A 112 0.038 -5.505 -9.952 1.00 14.44 H new ATOM 0 HE2 PHE A 112 3.707 -4.059 -11.564 1.00 71.22 H new ATOM 0 HZ PHE A 112 1.990 -5.816 -11.418 1.00 3.54 H new ATOM 1745 N GLU A 113 2.040 1.327 -10.439 1.00 65.51 N ATOM 1746 CA GLU A 113 2.842 1.808 -11.548 1.00 1.02 C ATOM 1747 C GLU A 113 4.207 2.240 -11.040 1.00 71.34 C ATOM 1748 O GLU A 113 4.318 3.166 -10.234 1.00 52.32 O ATOM 1749 CB GLU A 113 2.147 2.963 -12.271 1.00 43.23 C ATOM 1750 CG GLU A 113 2.847 3.374 -13.556 1.00 14.53 C ATOM 1751 CD GLU A 113 2.099 4.448 -14.314 1.00 13.21 C ATOM 1752 OE1 GLU A 113 1.087 4.128 -14.970 1.00 52.35 O ATOM 1753 OE2 GLU A 113 2.526 5.620 -14.273 1.00 73.05 O ATOM 0 H GLU A 113 2.090 1.902 -9.598 1.00 65.51 H new ATOM 0 HA GLU A 113 2.967 0.997 -12.265 1.00 1.02 H new ATOM 0 HB2 GLU A 113 1.121 2.675 -12.500 1.00 43.23 H new ATOM 0 HB3 GLU A 113 2.095 3.822 -11.603 1.00 43.23 H new ATOM 0 HG2 GLU A 113 3.849 3.733 -13.320 1.00 14.53 H new ATOM 0 HG3 GLU A 113 2.965 2.499 -14.196 1.00 14.53 H new ATOM 1760 N LYS A 114 5.243 1.557 -11.497 1.00 74.52 N ATOM 1761 CA LYS A 114 6.590 1.850 -11.057 1.00 30.10 C ATOM 1762 C LYS A 114 7.189 2.966 -11.902 1.00 1.41 C ATOM 1763 O LYS A 114 7.838 2.723 -12.926 1.00 64.21 O ATOM 1764 CB LYS A 114 7.460 0.593 -11.104 1.00 71.13 C ATOM 1765 CG LYS A 114 8.863 0.793 -10.547 1.00 12.13 C ATOM 1766 CD LYS A 114 9.577 -0.534 -10.366 1.00 31.13 C ATOM 1767 CE LYS A 114 11.003 -0.346 -9.881 1.00 31.42 C ATOM 1768 NZ LYS A 114 11.626 -1.641 -9.502 1.00 33.00 N ATOM 0 H LYS A 114 5.174 0.796 -12.173 1.00 74.52 H new ATOM 0 HA LYS A 114 6.554 2.189 -10.022 1.00 30.10 H new ATOM 0 HB2 LYS A 114 6.966 -0.200 -10.542 1.00 71.13 H new ATOM 0 HB3 LYS A 114 7.535 0.253 -12.137 1.00 71.13 H new ATOM 0 HG2 LYS A 114 9.437 1.429 -11.221 1.00 12.13 H new ATOM 0 HG3 LYS A 114 8.806 1.312 -9.590 1.00 12.13 H new ATOM 0 HD2 LYS A 114 9.028 -1.147 -9.652 1.00 31.13 H new ATOM 0 HD3 LYS A 114 9.583 -1.075 -11.312 1.00 31.13 H new ATOM 0 HE2 LYS A 114 11.595 0.128 -10.664 1.00 31.42 H new ATOM 0 HE3 LYS A 114 11.011 0.327 -9.024 1.00 31.42 H new ATOM 0 HZ1 LYS A 114 12.620 -1.484 -9.240 1.00 33.00 H new ATOM 0 HZ2 LYS A 114 11.115 -2.049 -8.693 1.00 33.00 H new ATOM 0 HZ3 LYS A 114 11.579 -2.297 -10.307 1.00 33.00 H new ATOM 1782 N VAL A 115 6.915 4.188 -11.489 1.00 73.24 N ATOM 1783 CA VAL A 115 7.440 5.365 -12.150 1.00 63.10 C ATOM 1784 C VAL A 115 8.395 6.094 -11.211 1.00 31.43 C ATOM 1785 O VAL A 115 8.108 6.251 -10.022 1.00 74.23 O ATOM 1786 CB VAL A 115 6.299 6.315 -12.606 1.00 70.54 C ATOM 1787 CG1 VAL A 115 5.371 6.654 -11.451 1.00 23.41 C ATOM 1788 CG2 VAL A 115 6.858 7.589 -13.226 1.00 24.34 C ATOM 0 H VAL A 115 6.322 4.392 -10.685 1.00 73.24 H new ATOM 0 HA VAL A 115 7.980 5.047 -13.042 1.00 63.10 H new ATOM 0 HB VAL A 115 5.722 5.789 -13.366 1.00 70.54 H new ATOM 0 HG11 VAL A 115 4.583 7.320 -11.801 1.00 23.41 H new ATOM 0 HG12 VAL A 115 4.926 5.739 -11.061 1.00 23.41 H new ATOM 0 HG13 VAL A 115 5.938 7.147 -10.661 1.00 23.41 H new ATOM 0 HG21 VAL A 115 6.036 8.234 -13.536 1.00 24.34 H new ATOM 0 HG22 VAL A 115 7.473 8.111 -12.493 1.00 24.34 H new ATOM 0 HG23 VAL A 115 7.466 7.335 -14.094 1.00 24.34 H new ATOM 1798 N LYS A 116 9.539 6.508 -11.729 1.00 53.12 N ATOM 1799 CA LYS A 116 10.506 7.222 -10.921 1.00 42.52 C ATOM 1800 C LYS A 116 10.908 8.524 -11.598 1.00 35.03 C ATOM 1801 O LYS A 116 11.808 8.560 -12.437 1.00 74.31 O ATOM 1802 CB LYS A 116 11.733 6.353 -10.629 1.00 33.04 C ATOM 1803 CG LYS A 116 12.715 6.990 -9.656 1.00 71.23 C ATOM 1804 CD LYS A 116 12.010 7.492 -8.404 1.00 61.13 C ATOM 1805 CE LYS A 116 12.990 8.099 -7.413 1.00 63.52 C ATOM 1806 NZ LYS A 116 13.798 7.063 -6.716 1.00 61.31 N ATOM 0 H LYS A 116 9.817 6.362 -12.699 1.00 53.12 H new ATOM 0 HA LYS A 116 10.039 7.463 -9.966 1.00 42.52 H new ATOM 0 HB2 LYS A 116 11.402 5.397 -10.224 1.00 33.04 H new ATOM 0 HB3 LYS A 116 12.249 6.141 -11.566 1.00 33.04 H new ATOM 0 HG2 LYS A 116 13.478 6.263 -9.379 1.00 71.23 H new ATOM 0 HG3 LYS A 116 13.227 7.819 -10.144 1.00 71.23 H new ATOM 0 HD2 LYS A 116 11.264 8.237 -8.680 1.00 61.13 H new ATOM 0 HD3 LYS A 116 11.477 6.667 -7.931 1.00 61.13 H new ATOM 0 HE2 LYS A 116 13.656 8.785 -7.937 1.00 63.52 H new ATOM 0 HE3 LYS A 116 12.442 8.687 -6.676 1.00 63.52 H new ATOM 0 HZ1 LYS A 116 14.452 7.522 -6.050 1.00 61.31 H new ATOM 0 HZ2 LYS A 116 13.166 6.423 -6.194 1.00 61.31 H new ATOM 0 HZ3 LYS A 116 14.342 6.518 -7.415 1.00 61.31 H new ATOM 1820 N ALA A 117 10.197 9.577 -11.248 1.00 75.23 N ATOM 1821 CA ALA A 117 10.507 10.912 -11.720 1.00 41.43 C ATOM 1822 C ALA A 117 10.766 11.805 -10.519 1.00 52.14 C ATOM 1823 O ALA A 117 10.652 11.355 -9.381 1.00 72.55 O ATOM 1824 CB ALA A 117 9.367 11.459 -12.568 1.00 21.32 C ATOM 0 H ALA A 117 9.388 9.532 -10.628 1.00 75.23 H new ATOM 0 HA ALA A 117 11.397 10.883 -12.349 1.00 41.43 H new ATOM 0 HB1 ALA A 117 9.619 12.462 -12.913 1.00 21.32 H new ATOM 0 HB2 ALA A 117 9.209 10.809 -13.428 1.00 21.32 H new ATOM 0 HB3 ALA A 117 8.456 11.499 -11.971 1.00 21.32 H new ATOM 1830 N HIS A 118 11.077 13.067 -10.756 1.00 3.42 N ATOM 1831 CA HIS A 118 11.380 13.985 -9.666 1.00 33.20 C ATOM 1832 C HIS A 118 10.095 14.617 -9.134 1.00 34.20 C ATOM 1833 O HIS A 118 10.103 15.709 -8.570 1.00 61.31 O ATOM 1834 CB HIS A 118 12.354 15.064 -10.141 1.00 25.11 C ATOM 1835 CG HIS A 118 13.278 15.544 -9.066 1.00 43.35 C ATOM 1836 ND1 HIS A 118 14.430 14.872 -8.724 1.00 65.21 N ATOM 1837 CD2 HIS A 118 13.222 16.626 -8.253 1.00 4.13 C ATOM 1838 CE1 HIS A 118 15.040 15.514 -7.749 1.00 43.11 C ATOM 1839 NE2 HIS A 118 14.331 16.582 -7.446 1.00 55.05 N ATOM 0 H HIS A 118 11.127 13.480 -11.687 1.00 3.42 H new ATOM 0 HA HIS A 118 11.850 13.427 -8.856 1.00 33.20 H new ATOM 0 HB2 HIS A 118 12.944 14.671 -10.969 1.00 25.11 H new ATOM 0 HB3 HIS A 118 11.787 15.911 -10.527 1.00 25.11 H new ATOM 0 HD2 HIS A 118 12.450 17.381 -8.242 1.00 4.13 H new ATOM 0 HE1 HIS A 118 15.965 15.215 -7.278 1.00 43.11 H new ATOM 0 HE2 HIS A 118 14.568 17.266 -6.727 1.00 55.05 H new ATOM 1848 N SER A 119 8.997 13.890 -9.286 1.00 63.22 N ATOM 1849 CA SER A 119 7.680 14.358 -8.883 1.00 41.13 C ATOM 1850 C SER A 119 7.381 13.936 -7.440 1.00 33.14 C ATOM 1851 O SER A 119 6.225 13.746 -7.064 1.00 34.42 O ATOM 1852 CB SER A 119 6.627 13.781 -9.843 1.00 54.13 C ATOM 1853 OG SER A 119 5.328 14.300 -9.591 1.00 72.11 O ATOM 0 H SER A 119 8.996 12.955 -9.694 1.00 63.22 H new ATOM 0 HA SER A 119 7.652 15.447 -8.928 1.00 41.13 H new ATOM 0 HB2 SER A 119 6.913 14.006 -10.871 1.00 54.13 H new ATOM 0 HB3 SER A 119 6.607 12.695 -9.748 1.00 54.13 H new ATOM 0 HG SER A 119 5.163 14.314 -8.625 1.00 72.11 H new ATOM 1859 N GLY A 120 8.433 13.809 -6.638 1.00 53.10 N ATOM 1860 CA GLY A 120 8.284 13.403 -5.259 1.00 10.31 C ATOM 1861 C GLY A 120 7.579 14.452 -4.430 1.00 54.14 C ATOM 1862 O GLY A 120 8.123 15.526 -4.173 1.00 54.13 O ATOM 0 H GLY A 120 9.396 13.983 -6.926 1.00 53.10 H new ATOM 0 HA2 GLY A 120 7.723 12.470 -5.215 1.00 10.31 H new ATOM 0 HA3 GLY A 120 9.267 13.204 -4.832 1.00 10.31 H new ATOM 1866 N ASN A 121 6.358 14.146 -4.037 1.00 35.15 N ATOM 1867 CA ASN A 121 5.559 15.050 -3.221 1.00 30.22 C ATOM 1868 C ASN A 121 5.989 14.995 -1.761 1.00 51.25 C ATOM 1869 O ASN A 121 6.897 14.250 -1.389 1.00 32.53 O ATOM 1870 CB ASN A 121 4.070 14.711 -3.335 1.00 63.00 C ATOM 1871 CG ASN A 121 3.434 15.266 -4.596 1.00 52.14 C ATOM 1872 OD1 ASN A 121 3.430 14.618 -5.643 1.00 11.13 O ATOM 1873 ND2 ASN A 121 2.887 16.468 -4.504 1.00 62.34 N ATOM 0 H ASN A 121 5.891 13.270 -4.271 1.00 35.15 H new ATOM 0 HA ASN A 121 5.722 16.061 -3.594 1.00 30.22 H new ATOM 0 HB2 ASN A 121 3.947 13.628 -3.318 1.00 63.00 H new ATOM 0 HB3 ASN A 121 3.545 15.105 -2.465 1.00 63.00 H new ATOM 0 HD21 ASN A 121 2.441 16.889 -5.319 1.00 62.34 H new ATOM 0 HD22 ASN A 121 2.911 16.973 -3.618 1.00 62.34 H new ATOM 1880 N GLU A 122 5.306 15.772 -0.938 1.00 2.55 N ATOM 1881 CA GLU A 122 5.652 15.904 0.468 1.00 73.22 C ATOM 1882 C GLU A 122 5.113 14.733 1.280 1.00 43.43 C ATOM 1883 O GLU A 122 5.718 14.323 2.272 1.00 13.12 O ATOM 1884 CB GLU A 122 5.122 17.234 1.034 1.00 63.20 C ATOM 1885 CG GLU A 122 3.611 17.427 0.910 1.00 51.05 C ATOM 1886 CD GLU A 122 3.158 17.714 -0.508 1.00 25.32 C ATOM 1887 OE1 GLU A 122 3.158 18.893 -0.911 1.00 42.24 O ATOM 1888 OE2 GLU A 122 2.811 16.757 -1.232 1.00 12.13 O ATOM 0 H GLU A 122 4.499 16.327 -1.223 1.00 2.55 H new ATOM 0 HA GLU A 122 6.739 15.899 0.545 1.00 73.22 H new ATOM 0 HB2 GLU A 122 5.397 17.300 2.087 1.00 63.20 H new ATOM 0 HB3 GLU A 122 5.622 18.056 0.522 1.00 63.20 H new ATOM 0 HG2 GLU A 122 3.106 16.531 1.271 1.00 51.05 H new ATOM 0 HG3 GLU A 122 3.302 18.249 1.556 1.00 51.05 H new ATOM 1895 N PHE A 123 3.986 14.186 0.841 1.00 22.22 N ATOM 1896 CA PHE A 123 3.330 13.100 1.560 1.00 11.20 C ATOM 1897 C PHE A 123 4.188 11.840 1.565 1.00 61.44 C ATOM 1898 O PHE A 123 4.376 11.209 2.605 1.00 53.02 O ATOM 1899 CB PHE A 123 1.962 12.790 0.943 1.00 33.41 C ATOM 1900 CG PHE A 123 1.019 13.958 0.933 1.00 43.42 C ATOM 1901 CD1 PHE A 123 0.701 14.620 2.107 1.00 2.44 C ATOM 1902 CD2 PHE A 123 0.452 14.393 -0.252 1.00 23.21 C ATOM 1903 CE1 PHE A 123 -0.171 15.691 2.099 1.00 42.25 C ATOM 1904 CE2 PHE A 123 -0.421 15.462 -0.266 1.00 44.30 C ATOM 1905 CZ PHE A 123 -0.728 16.115 0.910 1.00 5.41 C ATOM 0 H PHE A 123 3.506 14.477 -0.011 1.00 22.22 H new ATOM 0 HA PHE A 123 3.192 13.428 2.590 1.00 11.20 H new ATOM 0 HB2 PHE A 123 2.106 12.444 -0.080 1.00 33.41 H new ATOM 0 HB3 PHE A 123 1.503 11.970 1.495 1.00 33.41 H new ATOM 0 HD1 PHE A 123 1.140 14.295 3.039 1.00 2.44 H new ATOM 0 HD2 PHE A 123 0.695 13.890 -1.176 1.00 23.21 H new ATOM 0 HE1 PHE A 123 -0.416 16.196 3.022 1.00 42.25 H new ATOM 0 HE2 PHE A 123 -0.863 15.787 -1.196 1.00 44.30 H new ATOM 0 HZ PHE A 123 -1.404 16.957 0.900 1.00 5.41 H new ATOM 1915 N ASN A 124 4.723 11.483 0.405 1.00 22.53 N ATOM 1916 CA ASN A 124 5.504 10.260 0.281 1.00 52.40 C ATOM 1917 C ASN A 124 6.898 10.439 0.876 1.00 62.11 C ATOM 1918 O ASN A 124 7.456 9.499 1.429 1.00 52.21 O ATOM 1919 CB ASN A 124 5.586 9.805 -1.184 1.00 12.12 C ATOM 1920 CG ASN A 124 6.290 10.802 -2.086 1.00 22.20 C ATOM 1921 OD1 ASN A 124 5.675 11.748 -2.574 1.00 65.22 O ATOM 1922 ND2 ASN A 124 7.568 10.575 -2.342 1.00 3.41 N ATOM 0 H ASN A 124 4.631 12.019 -0.458 1.00 22.53 H new ATOM 0 HA ASN A 124 4.995 9.479 0.847 1.00 52.40 H new ATOM 0 HB2 ASN A 124 6.110 8.850 -1.231 1.00 12.12 H new ATOM 0 HB3 ASN A 124 4.578 9.634 -1.561 1.00 12.12 H new ATOM 0 HD21 ASN A 124 8.081 11.197 -2.966 1.00 3.41 H new ATOM 0 HD22 ASN A 124 8.040 9.778 -1.915 1.00 3.41 H new ATOM 1929 N ASP A 125 7.443 11.650 0.782 1.00 52.51 N ATOM 1930 CA ASP A 125 8.761 11.943 1.356 1.00 54.33 C ATOM 1931 C ASP A 125 8.738 11.776 2.874 1.00 73.21 C ATOM 1932 O ASP A 125 9.639 11.178 3.464 1.00 4.32 O ATOM 1933 CB ASP A 125 9.201 13.368 0.996 1.00 64.40 C ATOM 1934 CG ASP A 125 10.572 13.725 1.552 1.00 23.23 C ATOM 1935 OD1 ASP A 125 10.649 14.189 2.710 1.00 11.32 O ATOM 1936 OD2 ASP A 125 11.577 13.562 0.824 1.00 0.32 O ATOM 0 H ASP A 125 6.998 12.442 0.318 1.00 52.51 H new ATOM 0 HA ASP A 125 9.476 11.236 0.936 1.00 54.33 H new ATOM 0 HB2 ASP A 125 9.216 13.475 -0.089 1.00 64.40 H new ATOM 0 HB3 ASP A 125 8.465 14.077 1.376 1.00 64.40 H new ATOM 1941 N TYR A 126 7.680 12.285 3.491 1.00 70.53 N ATOM 1942 CA TYR A 126 7.530 12.240 4.938 1.00 64.04 C ATOM 1943 C TYR A 126 7.470 10.798 5.442 1.00 45.12 C ATOM 1944 O TYR A 126 8.151 10.436 6.405 1.00 31.15 O ATOM 1945 CB TYR A 126 6.265 13.003 5.346 1.00 63.14 C ATOM 1946 CG TYR A 126 6.050 13.091 6.841 1.00 21.24 C ATOM 1947 CD1 TYR A 126 6.792 13.971 7.619 1.00 51.25 C ATOM 1948 CD2 TYR A 126 5.105 12.293 7.472 1.00 72.33 C ATOM 1949 CE1 TYR A 126 6.597 14.054 8.984 1.00 5.24 C ATOM 1950 CE2 TYR A 126 4.904 12.371 8.835 1.00 63.45 C ATOM 1951 CZ TYR A 126 5.652 13.252 9.587 1.00 2.33 C ATOM 1952 OH TYR A 126 5.454 13.334 10.947 1.00 34.33 O ATOM 0 H TYR A 126 6.906 12.738 3.005 1.00 70.53 H new ATOM 0 HA TYR A 126 8.400 12.714 5.393 1.00 64.04 H new ATOM 0 HB2 TYR A 126 6.315 14.012 4.937 1.00 63.14 H new ATOM 0 HB3 TYR A 126 5.400 12.518 4.894 1.00 63.14 H new ATOM 0 HD1 TYR A 126 7.533 14.600 7.149 1.00 51.25 H new ATOM 0 HD2 TYR A 126 4.518 11.600 6.887 1.00 72.33 H new ATOM 0 HE1 TYR A 126 7.182 14.743 9.575 1.00 5.24 H new ATOM 0 HE2 TYR A 126 4.164 11.745 9.311 1.00 63.45 H new ATOM 0 HH TYR A 126 4.753 12.704 11.214 1.00 34.33 H new ATOM 1962 N VAL A 127 6.666 9.976 4.781 1.00 53.42 N ATOM 1963 CA VAL A 127 6.483 8.594 5.204 1.00 0.35 C ATOM 1964 C VAL A 127 7.683 7.732 4.792 1.00 52.13 C ATOM 1965 O VAL A 127 7.966 6.705 5.411 1.00 25.54 O ATOM 1966 CB VAL A 127 5.163 8.003 4.649 1.00 54.42 C ATOM 1967 CG1 VAL A 127 5.278 7.664 3.169 1.00 14.32 C ATOM 1968 CG2 VAL A 127 4.732 6.791 5.462 1.00 3.41 C ATOM 0 H VAL A 127 6.132 10.241 3.953 1.00 53.42 H new ATOM 0 HA VAL A 127 6.417 8.588 6.292 1.00 0.35 H new ATOM 0 HB VAL A 127 4.391 8.767 4.744 1.00 54.42 H new ATOM 0 HG11 VAL A 127 4.333 7.252 2.816 1.00 14.32 H new ATOM 0 HG12 VAL A 127 5.513 8.567 2.606 1.00 14.32 H new ATOM 0 HG13 VAL A 127 6.070 6.930 3.024 1.00 14.32 H new ATOM 0 HG21 VAL A 127 3.803 6.392 5.055 1.00 3.41 H new ATOM 0 HG22 VAL A 127 5.507 6.026 5.414 1.00 3.41 H new ATOM 0 HG23 VAL A 127 4.577 7.086 6.500 1.00 3.41 H new ATOM 1978 N ASP A 128 8.403 8.173 3.761 1.00 55.10 N ATOM 1979 CA ASP A 128 9.619 7.491 3.315 1.00 35.31 C ATOM 1980 C ASP A 128 10.695 7.570 4.393 1.00 33.20 C ATOM 1981 O ASP A 128 11.446 6.616 4.612 1.00 73.41 O ATOM 1982 CB ASP A 128 10.122 8.104 2.003 1.00 42.20 C ATOM 1983 CG ASP A 128 11.503 7.622 1.605 1.00 21.15 C ATOM 1984 OD1 ASP A 128 11.720 6.397 1.517 1.00 5.20 O ATOM 1985 OD2 ASP A 128 12.384 8.475 1.370 1.00 3.33 O ATOM 0 H ASP A 128 8.165 9.002 3.217 1.00 55.10 H new ATOM 0 HA ASP A 128 9.387 6.441 3.137 1.00 35.31 H new ATOM 0 HB2 ASP A 128 9.418 7.866 1.206 1.00 42.20 H new ATOM 0 HB3 ASP A 128 10.138 9.190 2.100 1.00 42.20 H new ATOM 1990 N MET A 129 10.757 8.706 5.077 1.00 43.42 N ATOM 1991 CA MET A 129 11.663 8.857 6.211 1.00 73.15 C ATOM 1992 C MET A 129 11.277 7.882 7.314 1.00 13.11 C ATOM 1993 O MET A 129 12.129 7.201 7.881 1.00 31.22 O ATOM 1994 CB MET A 129 11.635 10.283 6.768 1.00 12.24 C ATOM 1995 CG MET A 129 12.066 11.348 5.777 1.00 25.35 C ATOM 1996 SD MET A 129 12.202 12.979 6.536 1.00 11.40 S ATOM 1997 CE MET A 129 10.532 13.220 7.143 1.00 13.31 C ATOM 0 H MET A 129 10.195 9.532 4.869 1.00 43.42 H new ATOM 0 HA MET A 129 12.673 8.645 5.859 1.00 73.15 H new ATOM 0 HB2 MET A 129 10.624 10.508 7.109 1.00 12.24 H new ATOM 0 HB3 MET A 129 12.284 10.332 7.642 1.00 12.24 H new ATOM 0 HG2 MET A 129 13.027 11.070 5.344 1.00 25.35 H new ATOM 0 HG3 MET A 129 11.348 11.390 4.958 1.00 25.35 H new ATOM 0 HE1 MET A 129 10.159 14.187 6.807 1.00 13.31 H new ATOM 0 HE2 MET A 129 9.888 12.429 6.759 1.00 13.31 H new ATOM 0 HE3 MET A 129 10.533 13.191 8.233 1.00 13.31 H new ATOM 2007 N LYS A 130 9.978 7.817 7.589 1.00 3.31 N ATOM 2008 CA LYS A 130 9.440 6.950 8.632 1.00 3.42 C ATOM 2009 C LYS A 130 9.853 5.498 8.414 1.00 52.21 C ATOM 2010 O LYS A 130 10.356 4.842 9.327 1.00 62.30 O ATOM 2011 CB LYS A 130 7.909 7.045 8.656 1.00 13.42 C ATOM 2012 CG LYS A 130 7.368 8.424 8.996 1.00 5.21 C ATOM 2013 CD LYS A 130 7.734 8.834 10.410 1.00 64.15 C ATOM 2014 CE LYS A 130 6.970 10.074 10.840 1.00 73.23 C ATOM 2015 NZ LYS A 130 7.289 10.475 12.235 1.00 14.04 N ATOM 0 H LYS A 130 9.270 8.362 7.097 1.00 3.31 H new ATOM 0 HA LYS A 130 9.846 7.285 9.586 1.00 3.42 H new ATOM 0 HB2 LYS A 130 7.524 6.748 7.681 1.00 13.42 H new ATOM 0 HB3 LYS A 130 7.525 6.329 9.382 1.00 13.42 H new ATOM 0 HG2 LYS A 130 7.764 9.155 8.291 1.00 5.21 H new ATOM 0 HG3 LYS A 130 6.284 8.428 8.884 1.00 5.21 H new ATOM 0 HD2 LYS A 130 7.518 8.015 11.096 1.00 64.15 H new ATOM 0 HD3 LYS A 130 8.805 9.025 10.470 1.00 64.15 H new ATOM 0 HE2 LYS A 130 7.206 10.896 10.165 1.00 73.23 H new ATOM 0 HE3 LYS A 130 5.900 9.887 10.753 1.00 73.23 H new ATOM 0 HZ1 LYS A 130 6.745 11.325 12.485 1.00 14.04 H new ATOM 0 HZ2 LYS A 130 7.040 9.701 12.884 1.00 14.04 H new ATOM 0 HZ3 LYS A 130 8.306 10.679 12.314 1.00 14.04 H new ATOM 2029 N ALA A 131 9.648 5.005 7.200 1.00 2.03 N ATOM 2030 CA ALA A 131 9.920 3.610 6.886 1.00 54.33 C ATOM 2031 C ALA A 131 11.408 3.291 6.954 1.00 74.14 C ATOM 2032 O ALA A 131 11.816 2.354 7.637 1.00 20.51 O ATOM 2033 CB ALA A 131 9.374 3.263 5.511 1.00 51.33 C ATOM 0 H ALA A 131 9.294 5.552 6.416 1.00 2.03 H new ATOM 0 HA ALA A 131 9.417 3.002 7.638 1.00 54.33 H new ATOM 0 HB1 ALA A 131 9.585 2.217 5.289 1.00 51.33 H new ATOM 0 HB2 ALA A 131 8.297 3.428 5.495 1.00 51.33 H new ATOM 0 HB3 ALA A 131 9.849 3.895 4.761 1.00 51.33 H new ATOM 2039 N LYS A 132 12.219 4.086 6.267 1.00 71.23 N ATOM 2040 CA LYS A 132 13.647 3.806 6.164 1.00 33.44 C ATOM 2041 C LYS A 132 14.352 3.951 7.509 1.00 42.14 C ATOM 2042 O LYS A 132 15.327 3.252 7.780 1.00 22.41 O ATOM 2043 CB LYS A 132 14.301 4.697 5.117 1.00 72.33 C ATOM 2044 CG LYS A 132 13.700 4.521 3.732 1.00 23.35 C ATOM 2045 CD LYS A 132 14.691 4.883 2.647 1.00 43.43 C ATOM 2046 CE LYS A 132 15.303 6.249 2.886 1.00 1.05 C ATOM 2047 NZ LYS A 132 14.298 7.341 2.824 1.00 72.54 N ATOM 0 H LYS A 132 11.915 4.926 5.775 1.00 71.23 H new ATOM 0 HA LYS A 132 13.751 2.768 5.849 1.00 33.44 H new ATOM 0 HB2 LYS A 132 14.202 5.739 5.421 1.00 72.33 H new ATOM 0 HB3 LYS A 132 15.368 4.477 5.075 1.00 72.33 H new ATOM 0 HG2 LYS A 132 13.379 3.488 3.602 1.00 23.35 H new ATOM 0 HG3 LYS A 132 12.812 5.145 3.638 1.00 23.35 H new ATOM 0 HD2 LYS A 132 15.480 4.132 2.608 1.00 43.43 H new ATOM 0 HD3 LYS A 132 14.192 4.871 1.678 1.00 43.43 H new ATOM 0 HE2 LYS A 132 15.788 6.261 3.862 1.00 1.05 H new ATOM 0 HE3 LYS A 132 16.079 6.431 2.143 1.00 1.05 H new ATOM 0 HZ1 LYS A 132 14.727 8.227 3.158 1.00 72.54 H new ATOM 0 HZ2 LYS A 132 13.976 7.461 1.843 1.00 72.54 H new ATOM 0 HZ3 LYS A 132 13.486 7.100 3.428 1.00 72.54 H new ATOM 2061 N SER A 133 13.850 4.840 8.360 1.00 44.52 N ATOM 2062 CA SER A 133 14.440 5.043 9.677 1.00 62.22 C ATOM 2063 C SER A 133 14.303 3.773 10.514 1.00 5.22 C ATOM 2064 O SER A 133 15.165 3.457 11.335 1.00 71.12 O ATOM 2065 CB SER A 133 13.781 6.232 10.383 1.00 15.21 C ATOM 2066 OG SER A 133 14.521 6.631 11.529 1.00 2.25 O ATOM 0 H SER A 133 13.040 5.428 8.162 1.00 44.52 H new ATOM 0 HA SER A 133 15.500 5.266 9.556 1.00 62.22 H new ATOM 0 HB2 SER A 133 13.701 7.070 9.690 1.00 15.21 H new ATOM 0 HB3 SER A 133 12.766 5.965 10.678 1.00 15.21 H new ATOM 0 HG SER A 133 14.076 7.392 11.957 1.00 2.25 H new ATOM 2072 N ALA A 134 13.233 3.023 10.264 1.00 11.24 N ATOM 2073 CA ALA A 134 12.972 1.791 10.996 1.00 61.42 C ATOM 2074 C ALA A 134 13.893 0.662 10.532 1.00 63.24 C ATOM 2075 O ALA A 134 13.918 -0.413 11.130 1.00 74.43 O ATOM 2076 CB ALA A 134 11.512 1.386 10.844 1.00 42.20 C ATOM 0 H ALA A 134 12.532 3.249 9.558 1.00 11.24 H new ATOM 0 HA ALA A 134 13.178 1.976 12.050 1.00 61.42 H new ATOM 0 HB1 ALA A 134 11.331 0.464 11.396 1.00 42.20 H new ATOM 0 HB2 ALA A 134 10.872 2.176 11.238 1.00 42.20 H new ATOM 0 HB3 ALA A 134 11.286 1.228 9.789 1.00 42.20 H new ATOM 2082 N LEU A 135 14.657 0.909 9.473 1.00 10.32 N ATOM 2083 CA LEU A 135 15.596 -0.083 8.967 1.00 62.03 C ATOM 2084 C LEU A 135 16.993 0.171 9.511 1.00 1.11 C ATOM 2085 O LEU A 135 17.929 -0.572 9.208 1.00 51.11 O ATOM 2086 CB LEU A 135 15.636 -0.094 7.436 1.00 11.51 C ATOM 2087 CG LEU A 135 14.613 -1.009 6.754 1.00 4.24 C ATOM 2088 CD1 LEU A 135 14.683 -2.415 7.332 1.00 3.42 C ATOM 2089 CD2 LEU A 135 13.208 -0.447 6.879 1.00 3.33 C ATOM 0 H LEU A 135 14.644 1.785 8.951 1.00 10.32 H new ATOM 0 HA LEU A 135 15.248 -1.058 9.308 1.00 62.03 H new ATOM 0 HB2 LEU A 135 15.481 0.924 7.079 1.00 11.51 H new ATOM 0 HB3 LEU A 135 16.634 -0.395 7.119 1.00 11.51 H new ATOM 0 HG LEU A 135 14.861 -1.060 5.694 1.00 4.24 H new ATOM 0 HD11 LEU A 135 13.949 -3.050 6.835 1.00 3.42 H new ATOM 0 HD12 LEU A 135 15.681 -2.823 7.175 1.00 3.42 H new ATOM 0 HD13 LEU A 135 14.469 -2.380 8.400 1.00 3.42 H new ATOM 0 HD21 LEU A 135 12.503 -1.117 6.386 1.00 3.33 H new ATOM 0 HD22 LEU A 135 12.945 -0.355 7.933 1.00 3.33 H new ATOM 0 HD23 LEU A 135 13.166 0.535 6.408 1.00 3.33 H new ATOM 2101 N GLY A 136 17.132 1.217 10.314 1.00 74.32 N ATOM 2102 CA GLY A 136 18.418 1.513 10.904 1.00 41.33 C ATOM 2103 C GLY A 136 19.284 2.380 10.013 1.00 41.24 C ATOM 2104 O GLY A 136 20.511 2.319 10.088 1.00 15.34 O ATOM 0 H GLY A 136 16.382 1.861 10.565 1.00 74.32 H new ATOM 0 HA2 GLY A 136 18.268 2.017 11.859 1.00 41.33 H new ATOM 0 HA3 GLY A 136 18.940 0.580 11.114 1.00 41.33 H new ATOM 2108 N ILE A 137 18.649 3.151 9.135 1.00 60.03 N ATOM 2109 CA ILE A 137 19.378 4.048 8.247 1.00 4.32 C ATOM 2110 C ILE A 137 20.178 5.065 9.059 1.00 22.22 C ATOM 2111 O ILE A 137 19.675 5.618 10.042 1.00 45.51 O ATOM 2112 CB ILE A 137 18.430 4.784 7.264 1.00 42.11 C ATOM 2113 CG1 ILE A 137 19.236 5.626 6.270 1.00 4.33 C ATOM 2114 CG2 ILE A 137 17.436 5.654 8.022 1.00 72.13 C ATOM 2115 CD1 ILE A 137 18.383 6.368 5.263 1.00 12.34 C ATOM 0 H ILE A 137 17.636 3.172 9.020 1.00 60.03 H new ATOM 0 HA ILE A 137 20.062 3.437 7.657 1.00 4.32 H new ATOM 0 HB ILE A 137 17.869 4.035 6.705 1.00 42.11 H new ATOM 0 HG12 ILE A 137 19.838 6.347 6.823 1.00 4.33 H new ATOM 0 HG13 ILE A 137 19.929 4.976 5.736 1.00 4.33 H new ATOM 0 HG21 ILE A 137 16.781 6.161 7.313 1.00 72.13 H new ATOM 0 HG22 ILE A 137 16.838 5.029 8.686 1.00 72.13 H new ATOM 0 HG23 ILE A 137 17.976 6.395 8.611 1.00 72.13 H new ATOM 0 HD11 ILE A 137 19.025 6.941 4.594 1.00 12.34 H new ATOM 0 HD12 ILE A 137 17.801 5.653 4.682 1.00 12.34 H new ATOM 0 HD13 ILE A 137 17.708 7.045 5.787 1.00 12.34 H new ATOM 2127 N ARG A 138 21.426 5.283 8.652 1.00 54.13 N ATOM 2128 CA ARG A 138 22.326 6.200 9.344 1.00 53.44 C ATOM 2129 C ARG A 138 22.584 5.688 10.762 1.00 1.02 C ATOM 2130 O ARG A 138 22.396 6.403 11.750 1.00 43.31 O ATOM 2131 CB ARG A 138 21.736 7.619 9.361 1.00 13.33 C ATOM 2132 CG ARG A 138 22.756 8.714 9.629 1.00 1.22 C ATOM 2133 CD ARG A 138 22.120 10.091 9.520 1.00 30.33 C ATOM 2134 NE ARG A 138 23.115 11.161 9.504 1.00 63.02 N ATOM 2135 CZ ARG A 138 23.020 12.253 8.746 1.00 13.14 C ATOM 2136 NH1 ARG A 138 21.960 12.442 7.969 1.00 54.41 N ATOM 2137 NH2 ARG A 138 23.984 13.161 8.763 1.00 52.35 N ATOM 0 H ARG A 138 21.840 4.831 7.837 1.00 54.13 H new ATOM 0 HA ARG A 138 23.277 6.245 8.814 1.00 53.44 H new ATOM 0 HB2 ARG A 138 21.255 7.812 8.402 1.00 13.33 H new ATOM 0 HB3 ARG A 138 20.958 7.668 10.123 1.00 13.33 H new ATOM 0 HG2 ARG A 138 23.181 8.584 10.624 1.00 1.22 H new ATOM 0 HG3 ARG A 138 23.578 8.632 8.918 1.00 1.22 H new ATOM 0 HD2 ARG A 138 21.521 10.141 8.611 1.00 30.33 H new ATOM 0 HD3 ARG A 138 21.440 10.242 10.358 1.00 30.33 H new ATOM 0 HE ARG A 138 23.931 11.067 10.109 1.00 63.02 H new ATOM 0 HH11 ARG A 138 21.212 11.749 7.950 1.00 54.41 H new ATOM 0 HH12 ARG A 138 21.894 13.280 7.391 1.00 54.41 H new ATOM 0 HH21 ARG A 138 24.802 13.025 9.357 1.00 52.35 H new ATOM 0 HH22 ARG A 138 23.909 13.996 8.182 1.00 52.35 H new ATOM 2151 N ASP A 139 23.032 4.437 10.836 1.00 72.12 N ATOM 2152 CA ASP A 139 23.248 3.747 12.110 1.00 63.51 C ATOM 2153 C ASP A 139 24.388 4.385 12.911 1.00 41.21 C ATOM 2154 O ASP A 139 25.290 5.012 12.348 1.00 13.23 O ATOM 2155 CB ASP A 139 23.535 2.263 11.850 1.00 34.44 C ATOM 2156 CG ASP A 139 23.784 1.483 13.125 1.00 74.25 C ATOM 2157 OD1 ASP A 139 22.809 1.133 13.821 1.00 43.41 O ATOM 2158 OD2 ASP A 139 24.960 1.240 13.445 1.00 42.10 O ATOM 0 H ASP A 139 23.256 3.872 10.017 1.00 72.12 H new ATOM 0 HA ASP A 139 22.341 3.840 12.708 1.00 63.51 H new ATOM 0 HB2 ASP A 139 22.692 1.822 11.318 1.00 34.44 H new ATOM 0 HB3 ASP A 139 24.405 2.174 11.199 1.00 34.44 H new ATOM 2163 N LEU A 140 24.340 4.217 14.231 1.00 0.21 N ATOM 2164 CA LEU A 140 25.277 4.879 15.133 1.00 53.35 C ATOM 2165 C LEU A 140 26.517 4.033 15.404 1.00 2.31 C ATOM 2166 O LEU A 140 27.487 4.518 15.984 1.00 23.53 O ATOM 2167 CB LEU A 140 24.597 5.207 16.468 1.00 10.44 C ATOM 2168 CG LEU A 140 23.584 6.358 16.450 1.00 15.44 C ATOM 2169 CD1 LEU A 140 24.215 7.617 15.880 1.00 23.14 C ATOM 2170 CD2 LEU A 140 22.323 5.985 15.679 1.00 1.51 C ATOM 0 H LEU A 140 23.657 3.623 14.701 1.00 0.21 H new ATOM 0 HA LEU A 140 25.592 5.797 14.636 1.00 53.35 H new ATOM 0 HB2 LEU A 140 24.089 4.310 16.823 1.00 10.44 H new ATOM 0 HB3 LEU A 140 25.372 5.444 17.197 1.00 10.44 H new ATOM 0 HG LEU A 140 23.289 6.556 17.481 1.00 15.44 H new ATOM 0 HD11 LEU A 140 23.480 8.422 15.876 1.00 23.14 H new ATOM 0 HD12 LEU A 140 25.067 7.907 16.494 1.00 23.14 H new ATOM 0 HD13 LEU A 140 24.550 7.426 14.861 1.00 23.14 H new ATOM 0 HD21 LEU A 140 21.629 6.825 15.688 1.00 1.51 H new ATOM 0 HD22 LEU A 140 22.585 5.742 14.649 1.00 1.51 H new ATOM 0 HD23 LEU A 140 21.852 5.121 16.148 1.00 1.51 H new ATOM 2182 N GLU A 141 26.486 2.770 15.013 1.00 74.23 N ATOM 2183 CA GLU A 141 27.625 1.889 15.244 1.00 52.21 C ATOM 2184 C GLU A 141 28.347 1.571 13.942 1.00 14.01 C ATOM 2185 O GLU A 141 29.575 1.507 13.900 1.00 14.34 O ATOM 2186 CB GLU A 141 27.167 0.593 15.915 1.00 43.10 C ATOM 2187 CG GLU A 141 28.317 -0.302 16.345 1.00 14.44 C ATOM 2188 CD GLU A 141 29.288 0.418 17.256 1.00 62.35 C ATOM 2189 OE1 GLU A 141 28.901 0.753 18.395 1.00 33.34 O ATOM 2190 OE2 GLU A 141 30.435 0.673 16.833 1.00 22.31 O ATOM 0 H GLU A 141 25.696 2.333 14.539 1.00 74.23 H new ATOM 0 HA GLU A 141 28.321 2.408 15.904 1.00 52.21 H new ATOM 0 HB2 GLU A 141 26.561 0.838 16.787 1.00 43.10 H new ATOM 0 HB3 GLU A 141 26.526 0.043 15.226 1.00 43.10 H new ATOM 0 HG2 GLU A 141 27.921 -1.179 16.858 1.00 14.44 H new ATOM 0 HG3 GLU A 141 28.846 -0.661 15.462 1.00 14.44 H new ATOM 2197 N HIS A 142 27.580 1.389 12.880 1.00 73.25 N ATOM 2198 CA HIS A 142 28.139 1.097 11.568 1.00 23.44 C ATOM 2199 C HIS A 142 28.883 2.317 11.034 1.00 30.44 C ATOM 2200 O HIS A 142 28.271 3.258 10.529 1.00 54.12 O ATOM 2201 CB HIS A 142 27.018 0.670 10.610 1.00 44.12 C ATOM 2202 CG HIS A 142 27.477 0.312 9.224 1.00 33.10 C ATOM 2203 ND1 HIS A 142 28.139 -0.858 8.923 1.00 72.43 N ATOM 2204 CD2 HIS A 142 27.335 0.970 8.048 1.00 44.31 C ATOM 2205 CE1 HIS A 142 28.381 -0.902 7.626 1.00 54.03 C ATOM 2206 NE2 HIS A 142 27.902 0.194 7.069 1.00 64.04 N ATOM 0 H HIS A 142 26.561 1.439 12.900 1.00 73.25 H new ATOM 0 HA HIS A 142 28.851 0.276 11.651 1.00 23.44 H new ATOM 0 HB2 HIS A 142 26.499 -0.187 11.039 1.00 44.12 H new ATOM 0 HB3 HIS A 142 26.291 1.479 10.539 1.00 44.12 H new ATOM 0 HD2 HIS A 142 26.862 1.930 7.907 1.00 44.31 H new ATOM 0 HE1 HIS A 142 28.887 -1.702 7.107 1.00 54.03 H new ATOM 0 HE2 HIS A 142 27.946 0.426 6.077 1.00 64.04 H new ATOM 2215 N HIS A 143 30.204 2.302 11.170 1.00 3.45 N ATOM 2216 CA HIS A 143 31.029 3.439 10.783 1.00 41.40 C ATOM 2217 C HIS A 143 31.977 3.077 9.654 1.00 21.21 C ATOM 2218 O HIS A 143 32.116 1.908 9.290 1.00 72.34 O ATOM 2219 CB HIS A 143 31.855 3.942 11.973 1.00 13.04 C ATOM 2220 CG HIS A 143 31.053 4.613 13.039 1.00 63.01 C ATOM 2221 ND1 HIS A 143 31.057 4.200 14.353 1.00 1.12 N ATOM 2222 CD2 HIS A 143 30.243 5.695 12.989 1.00 0.22 C ATOM 2223 CE1 HIS A 143 30.285 4.996 15.064 1.00 41.41 C ATOM 2224 NE2 HIS A 143 29.779 5.912 14.259 1.00 51.43 N ATOM 0 H HIS A 143 30.728 1.512 11.547 1.00 3.45 H new ATOM 0 HA HIS A 143 30.351 4.223 10.445 1.00 41.40 H new ATOM 0 HB2 HIS A 143 32.388 3.099 12.412 1.00 13.04 H new ATOM 0 HB3 HIS A 143 32.608 4.640 11.608 1.00 13.04 H new ATOM 0 HD2 HIS A 143 30.006 6.279 12.112 1.00 0.22 H new ATOM 0 HE1 HIS A 143 30.098 4.913 16.124 1.00 41.41 H new ATOM 0 HE2 HIS A 143 29.145 6.661 14.538 1.00 51.43 H new ATOM 2233 N HIS A 144 32.602 4.103 9.093 1.00 34.43 N ATOM 2234 CA HIS A 144 33.678 3.941 8.129 1.00 45.04 C ATOM 2235 C HIS A 144 34.327 5.293 7.868 1.00 53.14 C ATOM 2236 O HIS A 144 33.743 6.153 7.212 1.00 60.22 O ATOM 2237 CB HIS A 144 33.173 3.343 6.812 1.00 13.43 C ATOM 2238 CG HIS A 144 34.275 2.986 5.864 1.00 14.00 C ATOM 2239 ND1 HIS A 144 34.600 3.747 4.764 1.00 31.30 N ATOM 2240 CD2 HIS A 144 35.134 1.941 5.861 1.00 43.54 C ATOM 2241 CE1 HIS A 144 35.609 3.187 4.127 1.00 75.24 C ATOM 2242 NE2 HIS A 144 35.953 2.090 4.770 1.00 21.12 N ATOM 0 H HIS A 144 32.374 5.076 9.296 1.00 34.43 H new ATOM 0 HA HIS A 144 34.409 3.249 8.547 1.00 45.04 H new ATOM 0 HB2 HIS A 144 32.585 2.451 7.028 1.00 13.43 H new ATOM 0 HB3 HIS A 144 32.505 4.056 6.330 1.00 13.43 H new ATOM 0 HD2 HIS A 144 35.169 1.139 6.583 1.00 43.54 H new ATOM 0 HE1 HIS A 144 36.075 3.564 3.229 1.00 75.24 H new ATOM 0 HE2 HIS A 144 36.705 1.455 4.501 1.00 21.12 H new ATOM 2251 N HIS A 145 35.524 5.485 8.396 1.00 51.30 N ATOM 2252 CA HIS A 145 36.225 6.752 8.239 1.00 53.12 C ATOM 2253 C HIS A 145 37.541 6.541 7.506 1.00 21.14 C ATOM 2254 O HIS A 145 38.142 5.468 7.587 1.00 0.01 O ATOM 2255 CB HIS A 145 36.462 7.430 9.602 1.00 62.24 C ATOM 2256 CG HIS A 145 37.301 6.636 10.561 1.00 75.51 C ATOM 2257 ND1 HIS A 145 38.643 6.876 10.764 1.00 2.23 N ATOM 2258 CD2 HIS A 145 36.978 5.608 11.384 1.00 14.35 C ATOM 2259 CE1 HIS A 145 39.109 6.030 11.665 1.00 51.23 C ATOM 2260 NE2 HIS A 145 38.120 5.251 12.056 1.00 42.15 N ATOM 0 H HIS A 145 36.031 4.783 8.936 1.00 51.30 H new ATOM 0 HA HIS A 145 35.598 7.415 7.643 1.00 53.12 H new ATOM 0 HB2 HIS A 145 36.941 8.395 9.434 1.00 62.24 H new ATOM 0 HB3 HIS A 145 35.496 7.630 10.066 1.00 62.24 H new ATOM 0 HD2 HIS A 145 36.004 5.155 11.491 1.00 14.35 H new ATOM 0 HE1 HIS A 145 40.128 5.984 12.021 1.00 51.23 H new ATOM 0 HE2 HIS A 145 38.192 4.504 12.746 1.00 42.15 H new ATOM 2269 N HIS A 146 37.980 7.561 6.788 1.00 4.41 N ATOM 2270 CA HIS A 146 39.204 7.477 6.003 1.00 54.11 C ATOM 2271 C HIS A 146 40.120 8.655 6.304 1.00 34.30 C ATOM 2272 O HIS A 146 39.730 9.812 6.151 1.00 54.21 O ATOM 2273 CB HIS A 146 38.873 7.441 4.506 1.00 44.13 C ATOM 2274 CG HIS A 146 40.081 7.435 3.622 1.00 23.15 C ATOM 2275 ND1 HIS A 146 40.568 8.568 3.006 1.00 72.42 N ATOM 2276 CD2 HIS A 146 40.910 6.430 3.266 1.00 43.05 C ATOM 2277 CE1 HIS A 146 41.645 8.257 2.310 1.00 72.13 C ATOM 2278 NE2 HIS A 146 41.875 6.966 2.450 1.00 4.12 N ATOM 0 H HIS A 146 37.505 8.462 6.731 1.00 4.41 H new ATOM 0 HA HIS A 146 39.721 6.557 6.276 1.00 54.11 H new ATOM 0 HB2 HIS A 146 38.276 6.553 4.296 1.00 44.13 H new ATOM 0 HB3 HIS A 146 38.257 8.305 4.258 1.00 44.13 H new ATOM 0 HD2 HIS A 146 40.829 5.396 3.567 1.00 43.05 H new ATOM 0 HE1 HIS A 146 42.238 8.944 1.724 1.00 72.13 H new ATOM 0 HE2 HIS A 146 42.644 6.450 2.022 1.00 4.12 H new ATOM 2287 N HIS A 147 41.336 8.353 6.729 1.00 62.12 N ATOM 2288 CA HIS A 147 42.330 9.383 6.987 1.00 30.40 C ATOM 2289 C HIS A 147 43.582 9.098 6.167 1.00 71.21 C ATOM 2290 O HIS A 147 43.705 9.639 5.058 1.00 38.81 O ATOM 2291 CB HIS A 147 42.671 9.442 8.481 1.00 61.03 C ATOM 2292 CG HIS A 147 43.488 10.636 8.873 1.00 64.52 C ATOM 2293 ND1 HIS A 147 42.987 11.674 9.625 1.00 12.12 N ATOM 2294 CD2 HIS A 147 44.782 10.948 8.624 1.00 61.14 C ATOM 2295 CE1 HIS A 147 43.933 12.570 9.818 1.00 52.24 C ATOM 2296 NE2 HIS A 147 45.033 12.155 9.221 1.00 75.30 N ATOM 2297 OXT HIS A 147 44.426 8.302 6.626 1.00 38.81 O ATOM 0 H HIS A 147 41.659 7.401 6.903 1.00 62.12 H new ATOM 0 HA HIS A 147 41.922 10.351 6.695 1.00 30.40 H new ATOM 0 HB2 HIS A 147 41.744 9.444 9.055 1.00 61.03 H new ATOM 0 HB3 HIS A 147 43.214 8.537 8.755 1.00 61.03 H new ATOM 0 HD2 HIS A 147 45.486 10.355 8.059 1.00 61.14 H new ATOM 0 HE1 HIS A 147 43.826 13.491 10.372 1.00 52.24 H new ATOM 0 HE2 HIS A 147 45.924 12.651 9.206 1.00 75.30 H new TER 2306 HIS A 147