USER MOD reduce.3.24.130724 H: found=0, std=0, add=1228, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1226 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 128 SER OG : rot -93:sc= 0.659 USER MOD Set 1.2: A 130 ASN : amide:sc= 0.228 K(o=0.89,f=-2.6!) USER MOD Set 2.1: A 82 ASN : amide:sc= 0.0306 K(o=-0.81,f=-4.3!) USER MOD Set 2.2: A 83 ASN :FLIP amide:sc= -0.84 F(o=-2.5,f=-0.81) USER MOD Single : A 1 MET CE :methyl -178:sc= 0 (180deg=-0.00294) USER MOD Single : A 1 MET N :NH3+ -116:sc= 0.0659 (180deg=-0.0551) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00446) USER MOD Single : A 11 ASN : amide:sc= -3.18! C(o=-3.2!,f=-6.6!) USER MOD Single : A 13 GLN : amide:sc= -2.41! C(o=-2.4!,f=-5.4!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot -28:sc= 1.17 USER MOD Single : A 22 THR OG1 : rot 162:sc= -0.571! USER MOD Single : A 29 SER OG : rot 180:sc= -0.0342 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 32 GLN : amide:sc= 1.01 K(o=1,f=-6.7!) USER MOD Single : A 36 MET CE :methyl -169:sc= -0.544 (180deg=-0.871) USER MOD Single : A 37 ASN : amide:sc= -1.08! C(o=-1.1!,f=-8.4!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc= -2.21 K(o=-2.2,f=-3.6!) USER MOD Single : A 55 THR OG1 : rot 29:sc= 0.26 USER MOD Single : A 58 SER OG : rot -130:sc= -0.0798 USER MOD Single : A 68 THR OG1 : rot 119:sc= 0.516 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= 0.123 X(o=0.12,f=-0.35) USER MOD Single : A 79 ASN : amide:sc= -0.287 K(o=-0.29,f=-3.1!) USER MOD Single : A 81 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0569) USER MOD Single : A 84 ASN :FLIP amide:sc= -1.79 F(o=-2.8,f=-1.8) USER MOD Single : A 94 GLN : amide:sc= 1.37 K(o=1.4,f=-6.8!) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.0209 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 119 HIS : no HE2:sc= 0.289 K(o=0.29,f=-1.2) USER MOD Single : A 122 MET CE :methyl -172:sc= -0.873 (180deg=-1.01) USER MOD Single : A 125 HIS : no HD1:sc= -1.51 K(o=-1.5,f=-2.2!) USER MOD Single : A 131 TYR OH : rot 120:sc= 0.738 USER MOD Single : A 136 SER OG : rot 180:sc= 0.888 USER MOD Single : A 143 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 144 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 149 SER OG : rot 150:sc= -0.59 USER MOD Single : A 152 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 153 HIS : no HD1:sc= -0.117 X(o=-0.12,f=-0.011) USER MOD Single : A 154 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 155 HIS : no HD1:sc= 0.149 K(o=0.15,f=-2.6!) USER MOD Single : A 156 HIS : no HD1:sc= 0.078 K(o=0.078,f=-0.77) USER MOD Single : A 157 HIS : no HE2:sc= 0.4 K(o=0.4,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.428 0.870 22.355 1.00 14.53 N ATOM 2 CA MET A 1 5.729 0.128 21.268 1.00 2.12 C ATOM 3 C MET A 1 6.111 -1.361 21.260 1.00 33.51 C ATOM 4 O MET A 1 7.031 -1.780 21.960 1.00 32.22 O ATOM 5 CB MET A 1 6.058 0.757 19.908 1.00 11.33 C ATOM 6 CG MET A 1 5.464 2.148 19.709 1.00 2.12 C ATOM 7 SD MET A 1 3.658 2.137 19.723 1.00 34.21 S ATOM 8 CE MET A 1 3.299 3.876 19.473 1.00 30.22 C ATOM 0 H1 MET A 1 5.728 1.231 23.034 1.00 14.53 H new ATOM 0 H2 MET A 1 7.087 0.231 22.844 1.00 14.53 H new ATOM 0 H3 MET A 1 6.958 1.666 21.947 1.00 14.53 H new ATOM 0 HA MET A 1 4.657 0.198 21.455 1.00 2.12 H new ATOM 0 HB2 MET A 1 7.141 0.816 19.799 1.00 11.33 H new ATOM 0 HB3 MET A 1 5.693 0.101 19.118 1.00 11.33 H new ATOM 0 HG2 MET A 1 5.826 2.810 20.495 1.00 2.12 H new ATOM 0 HG3 MET A 1 5.814 2.557 18.761 1.00 2.12 H new ATOM 0 HE1 MET A 1 2.220 4.032 19.494 1.00 30.22 H new ATOM 0 HE2 MET A 1 3.766 4.461 20.265 1.00 30.22 H new ATOM 0 HE3 MET A 1 3.692 4.194 18.507 1.00 30.22 H new ATOM 20 N ARG A 2 5.394 -2.158 20.468 1.00 52.23 N ATOM 21 CA ARG A 2 5.677 -3.598 20.354 1.00 24.20 C ATOM 22 C ARG A 2 6.660 -3.904 19.212 1.00 44.25 C ATOM 23 O ARG A 2 7.373 -4.908 19.250 1.00 42.14 O ATOM 24 CB ARG A 2 4.364 -4.379 20.189 1.00 3.31 C ATOM 25 CG ARG A 2 3.475 -3.890 19.046 1.00 73.15 C ATOM 26 CD ARG A 2 2.023 -4.323 19.239 1.00 31.13 C ATOM 27 NE ARG A 2 1.508 -3.874 20.537 1.00 51.05 N ATOM 28 CZ ARG A 2 0.321 -3.372 20.741 1.00 55.13 C ATOM 29 NH1 ARG A 2 -0.540 -3.277 19.779 1.00 3.40 N ATOM 30 NH2 ARG A 2 -0.010 -2.978 21.928 1.00 25.53 N ATOM 0 H ARG A 2 4.614 -1.837 19.895 1.00 52.23 H new ATOM 0 HA ARG A 2 6.163 -3.921 21.275 1.00 24.20 H new ATOM 0 HB2 ARG A 2 4.600 -5.430 20.025 1.00 3.31 H new ATOM 0 HB3 ARG A 2 3.801 -4.320 21.121 1.00 3.31 H new ATOM 0 HG2 ARG A 2 3.526 -2.803 18.984 1.00 73.15 H new ATOM 0 HG3 ARG A 2 3.849 -4.281 18.100 1.00 73.15 H new ATOM 0 HD2 ARG A 2 1.408 -3.913 18.438 1.00 31.13 H new ATOM 0 HD3 ARG A 2 1.952 -5.409 19.171 1.00 31.13 H new ATOM 0 HE ARG A 2 2.126 -3.961 21.344 1.00 51.05 H new ATOM 0 HH11 ARG A 2 -0.295 -3.597 18.842 1.00 3.40 H new ATOM 0 HH12 ARG A 2 -1.463 -2.882 19.958 1.00 3.40 H new ATOM 0 HH21 ARG A 2 0.655 -3.061 22.697 1.00 25.53 H new ATOM 0 HH22 ARG A 2 -0.936 -2.585 22.095 1.00 25.53 H new ATOM 44 N VAL A 3 6.694 -3.019 18.218 1.00 74.10 N ATOM 45 CA VAL A 3 7.653 -3.091 17.101 1.00 42.40 C ATOM 46 C VAL A 3 7.494 -4.358 16.229 1.00 62.15 C ATOM 47 O VAL A 3 7.720 -5.484 16.679 1.00 13.33 O ATOM 48 CB VAL A 3 9.113 -2.994 17.617 1.00 10.12 C ATOM 49 CG1 VAL A 3 10.120 -3.219 16.488 1.00 14.24 C ATOM 50 CG2 VAL A 3 9.356 -1.645 18.297 1.00 61.32 C ATOM 0 H VAL A 3 6.057 -2.225 18.158 1.00 74.10 H new ATOM 0 HA VAL A 3 7.426 -2.235 16.465 1.00 42.40 H new ATOM 0 HB VAL A 3 9.259 -3.784 18.354 1.00 10.12 H new ATOM 0 HG11 VAL A 3 11.133 -3.144 16.884 1.00 14.24 H new ATOM 0 HG12 VAL A 3 9.970 -4.210 16.059 1.00 14.24 H new ATOM 0 HG13 VAL A 3 9.976 -2.464 15.716 1.00 14.24 H new ATOM 0 HG21 VAL A 3 10.385 -1.597 18.652 1.00 61.32 H new ATOM 0 HG22 VAL A 3 9.180 -0.841 17.583 1.00 61.32 H new ATOM 0 HG23 VAL A 3 8.676 -1.535 19.141 1.00 61.32 H new ATOM 60 N TYR A 4 7.109 -4.155 14.972 1.00 71.13 N ATOM 61 CA TYR A 4 7.030 -5.238 13.983 1.00 62.11 C ATOM 62 C TYR A 4 8.165 -5.129 12.958 1.00 12.33 C ATOM 63 O TYR A 4 8.392 -4.066 12.379 1.00 1.14 O ATOM 64 CB TYR A 4 5.684 -5.204 13.249 1.00 51.05 C ATOM 65 CG TYR A 4 4.518 -5.723 14.066 1.00 60.51 C ATOM 66 CD1 TYR A 4 3.869 -4.913 14.989 1.00 53.44 C ATOM 67 CD2 TYR A 4 4.063 -7.029 13.907 1.00 65.33 C ATOM 68 CE1 TYR A 4 2.804 -5.389 15.728 1.00 73.20 C ATOM 69 CE2 TYR A 4 2.999 -7.508 14.644 1.00 20.40 C ATOM 70 CZ TYR A 4 2.374 -6.685 15.552 1.00 20.05 C ATOM 71 OH TYR A 4 1.313 -7.161 16.290 1.00 44.04 O ATOM 0 H TYR A 4 6.843 -3.241 14.606 1.00 71.13 H new ATOM 0 HA TYR A 4 7.125 -6.181 14.521 1.00 62.11 H new ATOM 0 HB2 TYR A 4 5.473 -4.178 12.947 1.00 51.05 H new ATOM 0 HB3 TYR A 4 5.765 -5.795 12.337 1.00 51.05 H new ATOM 0 HD1 TYR A 4 4.202 -3.896 15.131 1.00 53.44 H new ATOM 0 HD2 TYR A 4 4.551 -7.678 13.195 1.00 65.33 H new ATOM 0 HE1 TYR A 4 2.310 -4.747 16.442 1.00 73.20 H new ATOM 0 HE2 TYR A 4 2.659 -8.524 14.509 1.00 20.40 H new ATOM 0 HH TYR A 4 1.136 -8.093 16.045 1.00 44.04 H new ATOM 81 N LYS A 5 8.869 -6.230 12.735 1.00 5.22 N ATOM 82 CA LYS A 5 9.948 -6.276 11.747 1.00 3.40 C ATOM 83 C LYS A 5 9.500 -7.043 10.485 1.00 45.32 C ATOM 84 O LYS A 5 8.441 -7.677 10.489 1.00 12.14 O ATOM 85 CB LYS A 5 11.183 -6.940 12.384 1.00 52.12 C ATOM 86 CG LYS A 5 11.725 -6.200 13.608 1.00 41.21 C ATOM 87 CD LYS A 5 12.690 -7.066 14.418 1.00 51.34 C ATOM 88 CE LYS A 5 13.900 -7.508 13.602 1.00 11.52 C ATOM 89 NZ LYS A 5 14.794 -6.373 13.248 1.00 51.33 N ATOM 0 H LYS A 5 8.714 -7.110 13.226 1.00 5.22 H new ATOM 0 HA LYS A 5 10.203 -5.262 11.441 1.00 3.40 H new ATOM 0 HB2 LYS A 5 10.927 -7.959 12.673 1.00 52.12 H new ATOM 0 HB3 LYS A 5 11.972 -7.010 11.635 1.00 52.12 H new ATOM 0 HG2 LYS A 5 12.235 -5.292 13.287 1.00 41.21 H new ATOM 0 HG3 LYS A 5 10.894 -5.891 14.243 1.00 41.21 H new ATOM 0 HD2 LYS A 5 13.028 -6.509 15.291 1.00 51.34 H new ATOM 0 HD3 LYS A 5 12.162 -7.946 14.786 1.00 51.34 H new ATOM 0 HE2 LYS A 5 14.465 -8.248 14.168 1.00 11.52 H new ATOM 0 HE3 LYS A 5 13.560 -7.997 12.689 1.00 11.52 H new ATOM 0 HZ1 LYS A 5 15.618 -6.730 12.723 1.00 51.33 H new ATOM 0 HZ2 LYS A 5 14.275 -5.694 12.656 1.00 51.33 H new ATOM 0 HZ3 LYS A 5 15.115 -5.900 14.117 1.00 51.33 H new ATOM 103 N PRO A 6 10.282 -6.987 9.377 1.00 61.01 N ATOM 104 CA PRO A 6 9.963 -7.729 8.134 1.00 4.42 C ATOM 105 C PRO A 6 10.130 -9.253 8.293 1.00 44.22 C ATOM 106 O PRO A 6 10.880 -9.897 7.555 1.00 21.34 O ATOM 107 CB PRO A 6 10.976 -7.164 7.126 1.00 51.54 C ATOM 108 CG PRO A 6 12.128 -6.724 7.964 1.00 1.04 C ATOM 109 CD PRO A 6 11.522 -6.189 9.233 1.00 71.05 C ATOM 0 HA PRO A 6 8.924 -7.602 7.832 1.00 4.42 H new ATOM 0 HB2 PRO A 6 11.278 -7.919 6.401 1.00 51.54 H new ATOM 0 HB3 PRO A 6 10.554 -6.332 6.563 1.00 51.54 H new ATOM 0 HG2 PRO A 6 12.802 -7.555 8.171 1.00 1.04 H new ATOM 0 HG3 PRO A 6 12.713 -5.958 7.455 1.00 1.04 H new ATOM 0 HD2 PRO A 6 12.188 -6.323 10.085 1.00 71.05 H new ATOM 0 HD3 PRO A 6 11.309 -5.123 9.159 1.00 71.05 H new ATOM 117 N GLU A 7 9.396 -9.813 9.248 1.00 72.22 N ATOM 118 CA GLU A 7 9.481 -11.232 9.609 1.00 52.53 C ATOM 119 C GLU A 7 8.442 -11.561 10.695 1.00 40.04 C ATOM 120 O GLU A 7 7.987 -12.701 10.818 1.00 2.12 O ATOM 121 CB GLU A 7 10.906 -11.580 10.073 1.00 24.44 C ATOM 122 CG GLU A 7 11.430 -10.703 11.209 1.00 22.32 C ATOM 123 CD GLU A 7 12.944 -10.780 11.353 1.00 72.15 C ATOM 124 OE1 GLU A 7 13.468 -11.882 11.627 1.00 44.21 O ATOM 125 OE2 GLU A 7 13.619 -9.742 11.182 1.00 45.24 O ATOM 0 H GLU A 7 8.716 -9.293 9.802 1.00 72.22 H new ATOM 0 HA GLU A 7 9.259 -11.840 8.732 1.00 52.53 H new ATOM 0 HB2 GLU A 7 10.926 -12.621 10.395 1.00 24.44 H new ATOM 0 HB3 GLU A 7 11.583 -11.496 9.223 1.00 24.44 H new ATOM 0 HG2 GLU A 7 11.137 -9.668 11.030 1.00 22.32 H new ATOM 0 HG3 GLU A 7 10.963 -11.009 12.145 1.00 22.32 H new ATOM 132 N ASP A 8 8.073 -10.546 11.487 1.00 13.24 N ATOM 133 CA ASP A 8 6.935 -10.643 12.408 1.00 3.04 C ATOM 134 C ASP A 8 5.612 -10.612 11.626 1.00 63.32 C ATOM 135 O ASP A 8 4.631 -11.253 12.004 1.00 42.30 O ATOM 136 CB ASP A 8 6.962 -9.477 13.405 1.00 33.44 C ATOM 137 CG ASP A 8 8.242 -9.436 14.216 1.00 33.11 C ATOM 138 OD1 ASP A 8 9.311 -9.221 13.617 1.00 73.43 O ATOM 139 OD2 ASP A 8 8.187 -9.606 15.451 1.00 41.33 O ATOM 0 H ASP A 8 8.549 -9.644 11.508 1.00 13.24 H new ATOM 0 HA ASP A 8 7.010 -11.586 12.950 1.00 3.04 H new ATOM 0 HB2 ASP A 8 6.848 -8.538 12.864 1.00 33.44 H new ATOM 0 HB3 ASP A 8 6.110 -9.561 14.080 1.00 33.44 H new ATOM 144 N VAL A 9 5.600 -9.836 10.542 1.00 31.43 N ATOM 145 CA VAL A 9 4.425 -9.715 9.672 1.00 30.33 C ATOM 146 C VAL A 9 4.085 -11.053 8.991 1.00 43.41 C ATOM 147 O VAL A 9 4.895 -11.585 8.229 1.00 53.23 O ATOM 148 CB VAL A 9 4.661 -8.646 8.573 1.00 31.25 C ATOM 149 CG1 VAL A 9 3.419 -8.467 7.699 1.00 64.32 C ATOM 150 CG2 VAL A 9 5.089 -7.320 9.196 1.00 25.54 C ATOM 0 H VAL A 9 6.398 -9.276 10.242 1.00 31.43 H new ATOM 0 HA VAL A 9 3.591 -9.416 10.307 1.00 30.33 H new ATOM 0 HB VAL A 9 5.468 -8.996 7.930 1.00 31.25 H new ATOM 0 HG11 VAL A 9 3.615 -7.711 6.938 1.00 64.32 H new ATOM 0 HG12 VAL A 9 3.174 -9.413 7.216 1.00 64.32 H new ATOM 0 HG13 VAL A 9 2.581 -8.149 8.319 1.00 64.32 H new ATOM 0 HG21 VAL A 9 5.250 -6.583 8.409 1.00 25.54 H new ATOM 0 HG22 VAL A 9 4.309 -6.966 9.870 1.00 25.54 H new ATOM 0 HG23 VAL A 9 6.014 -7.462 9.754 1.00 25.54 H new ATOM 160 N PRO A 10 2.884 -11.614 9.252 1.00 55.43 N ATOM 161 CA PRO A 10 2.448 -12.873 8.627 1.00 20.10 C ATOM 162 C PRO A 10 2.480 -12.812 7.088 1.00 33.03 C ATOM 163 O PRO A 10 1.835 -11.959 6.466 1.00 25.15 O ATOM 164 CB PRO A 10 1.007 -13.066 9.142 1.00 21.20 C ATOM 165 CG PRO A 10 0.603 -11.741 9.700 1.00 35.24 C ATOM 166 CD PRO A 10 1.870 -11.083 10.176 1.00 53.34 C ATOM 0 HA PRO A 10 3.110 -13.699 8.885 1.00 20.10 H new ATOM 0 HB2 PRO A 10 0.340 -13.373 8.336 1.00 21.20 H new ATOM 0 HB3 PRO A 10 0.964 -13.843 9.905 1.00 21.20 H new ATOM 0 HG2 PRO A 10 0.110 -11.133 8.942 1.00 35.24 H new ATOM 0 HG3 PRO A 10 -0.104 -11.863 10.520 1.00 35.24 H new ATOM 0 HD2 PRO A 10 1.805 -9.996 10.123 1.00 53.34 H new ATOM 0 HD3 PRO A 10 2.094 -11.339 11.212 1.00 53.34 H new ATOM 174 N ASN A 11 3.243 -13.721 6.484 1.00 62.32 N ATOM 175 CA ASN A 11 3.400 -13.776 5.025 1.00 74.34 C ATOM 176 C ASN A 11 2.130 -14.305 4.330 1.00 15.41 C ATOM 177 O ASN A 11 2.110 -15.412 3.785 1.00 31.23 O ATOM 178 CB ASN A 11 4.630 -14.627 4.658 1.00 40.54 C ATOM 179 CG ASN A 11 4.611 -16.013 5.291 1.00 63.21 C ATOM 180 OD1 ASN A 11 4.011 -16.229 6.337 1.00 61.45 O ATOM 181 ND2 ASN A 11 5.290 -16.959 4.675 1.00 63.40 N ATOM 0 H ASN A 11 3.768 -14.438 6.985 1.00 62.32 H new ATOM 0 HA ASN A 11 3.557 -12.759 4.664 1.00 74.34 H new ATOM 0 HB2 ASN A 11 4.682 -14.730 3.574 1.00 40.54 H new ATOM 0 HB3 ASN A 11 5.533 -14.103 4.972 1.00 40.54 H new ATOM 0 HD21 ASN A 11 5.325 -17.900 5.068 1.00 63.40 H new ATOM 0 HD22 ASN A 11 5.780 -16.751 3.805 1.00 63.40 H new ATOM 188 N VAL A 12 1.079 -13.485 4.340 1.00 32.22 N ATOM 189 CA VAL A 12 -0.237 -13.890 3.820 1.00 50.12 C ATOM 190 C VAL A 12 -0.183 -14.324 2.344 1.00 65.41 C ATOM 191 O VAL A 12 -0.762 -15.342 1.977 1.00 62.33 O ATOM 192 CB VAL A 12 -1.294 -12.764 3.992 1.00 14.22 C ATOM 193 CG1 VAL A 12 -1.502 -12.435 5.470 1.00 2.25 C ATOM 194 CG2 VAL A 12 -0.903 -11.509 3.211 1.00 75.05 C ATOM 0 H VAL A 12 1.109 -12.532 4.703 1.00 32.22 H new ATOM 0 HA VAL A 12 -0.536 -14.753 4.415 1.00 50.12 H new ATOM 0 HB VAL A 12 -2.236 -13.131 3.585 1.00 14.22 H new ATOM 0 HG11 VAL A 12 -2.246 -11.644 5.566 1.00 2.25 H new ATOM 0 HG12 VAL A 12 -1.849 -13.325 5.996 1.00 2.25 H new ATOM 0 HG13 VAL A 12 -0.560 -12.101 5.904 1.00 2.25 H new ATOM 0 HG21 VAL A 12 -1.663 -10.741 3.353 1.00 75.05 H new ATOM 0 HG22 VAL A 12 0.057 -11.140 3.572 1.00 75.05 H new ATOM 0 HG23 VAL A 12 -0.824 -11.750 2.151 1.00 75.05 H new ATOM 204 N GLN A 13 0.537 -13.572 1.511 1.00 34.33 N ATOM 205 CA GLN A 13 0.592 -13.850 0.066 1.00 31.22 C ATOM 206 C GLN A 13 1.405 -15.121 -0.253 1.00 15.01 C ATOM 207 O GLN A 13 1.345 -15.648 -1.364 1.00 33.43 O ATOM 208 CB GLN A 13 1.179 -12.636 -0.675 1.00 74.10 C ATOM 209 CG GLN A 13 1.165 -12.751 -2.201 1.00 61.01 C ATOM 210 CD GLN A 13 -0.226 -12.970 -2.788 1.00 33.34 C ATOM 211 OE1 GLN A 13 -0.383 -13.593 -3.832 1.00 24.30 O ATOM 212 NE2 GLN A 13 -1.246 -12.454 -2.130 1.00 21.35 N ATOM 0 H GLN A 13 1.090 -12.767 1.806 1.00 34.33 H new ATOM 0 HA GLN A 13 -0.427 -14.030 -0.277 1.00 31.22 H new ATOM 0 HB2 GLN A 13 0.620 -11.746 -0.386 1.00 74.10 H new ATOM 0 HB3 GLN A 13 2.207 -12.488 -0.345 1.00 74.10 H new ATOM 0 HG2 GLN A 13 1.591 -11.843 -2.629 1.00 61.01 H new ATOM 0 HG3 GLN A 13 1.810 -13.577 -2.500 1.00 61.01 H new ATOM 0 HE21 GLN A 13 -1.087 -11.940 -1.263 1.00 21.35 H new ATOM 0 HE22 GLN A 13 -2.194 -12.569 -2.488 1.00 21.35 H new ATOM 221 N LEU A 14 2.165 -15.612 0.724 1.00 15.14 N ATOM 222 CA LEU A 14 2.970 -16.828 0.543 1.00 45.02 C ATOM 223 C LEU A 14 2.147 -18.083 0.894 1.00 73.51 C ATOM 224 O LEU A 14 2.358 -19.160 0.334 1.00 15.21 O ATOM 225 CB LEU A 14 4.252 -16.730 1.401 1.00 71.41 C ATOM 226 CG LEU A 14 5.310 -17.838 1.191 1.00 34.41 C ATOM 227 CD1 LEU A 14 6.703 -17.321 1.542 1.00 24.33 C ATOM 228 CD2 LEU A 14 4.991 -19.077 2.028 1.00 11.01 C ATOM 0 H LEU A 14 2.243 -15.190 1.649 1.00 15.14 H new ATOM 0 HA LEU A 14 3.262 -16.917 -0.504 1.00 45.02 H new ATOM 0 HB2 LEU A 14 4.723 -15.767 1.202 1.00 71.41 H new ATOM 0 HB3 LEU A 14 3.960 -16.732 2.451 1.00 71.41 H new ATOM 0 HG LEU A 14 5.287 -18.120 0.138 1.00 34.41 H new ATOM 0 HD11 LEU A 14 7.435 -18.114 1.388 1.00 24.33 H new ATOM 0 HD12 LEU A 14 6.948 -16.472 0.903 1.00 24.33 H new ATOM 0 HD13 LEU A 14 6.722 -17.007 2.586 1.00 24.33 H new ATOM 0 HD21 LEU A 14 5.753 -19.837 1.858 1.00 11.01 H new ATOM 0 HD22 LEU A 14 4.976 -18.808 3.084 1.00 11.01 H new ATOM 0 HD23 LEU A 14 4.016 -19.470 1.739 1.00 11.01 H new ATOM 240 N ALA A 15 1.203 -17.929 1.819 1.00 63.13 N ATOM 241 CA ALA A 15 0.323 -19.031 2.226 1.00 51.22 C ATOM 242 C ALA A 15 -0.982 -19.050 1.410 1.00 45.34 C ATOM 243 O ALA A 15 -1.520 -20.111 1.095 1.00 63.41 O ATOM 244 CB ALA A 15 0.016 -18.927 3.717 1.00 73.53 C ATOM 0 H ALA A 15 1.024 -17.050 2.305 1.00 63.13 H new ATOM 0 HA ALA A 15 0.845 -19.967 2.029 1.00 51.22 H new ATOM 0 HB1 ALA A 15 -0.638 -19.748 4.012 1.00 73.53 H new ATOM 0 HB2 ALA A 15 0.945 -18.981 4.284 1.00 73.53 H new ATOM 0 HB3 ALA A 15 -0.479 -17.978 3.921 1.00 73.53 H new ATOM 250 N ASP A 16 -1.481 -17.867 1.069 1.00 43.30 N ATOM 251 CA ASP A 16 -2.727 -17.730 0.312 1.00 52.23 C ATOM 252 C ASP A 16 -2.575 -16.714 -0.832 1.00 14.25 C ATOM 253 O ASP A 16 -1.908 -15.691 -0.685 1.00 62.45 O ATOM 254 CB ASP A 16 -3.856 -17.306 1.258 1.00 3.10 C ATOM 255 CG ASP A 16 -5.137 -16.983 0.518 1.00 3.31 C ATOM 256 OD1 ASP A 16 -5.858 -17.917 0.115 1.00 13.05 O ATOM 257 OD2 ASP A 16 -5.428 -15.789 0.321 1.00 33.41 O ATOM 0 H ASP A 16 -1.039 -16.979 1.306 1.00 43.30 H new ATOM 0 HA ASP A 16 -2.971 -18.694 -0.134 1.00 52.23 H new ATOM 0 HB2 ASP A 16 -4.045 -18.105 1.975 1.00 3.10 H new ATOM 0 HB3 ASP A 16 -3.539 -16.433 1.829 1.00 3.10 H new ATOM 262 N SER A 17 -3.200 -17.001 -1.973 1.00 60.42 N ATOM 263 CA SER A 17 -3.112 -16.117 -3.144 1.00 42.54 C ATOM 264 C SER A 17 -4.423 -15.357 -3.404 1.00 22.34 C ATOM 265 O SER A 17 -4.471 -14.480 -4.270 1.00 43.32 O ATOM 266 CB SER A 17 -2.744 -16.928 -4.393 1.00 53.41 C ATOM 267 OG SER A 17 -3.765 -17.859 -4.724 1.00 51.33 O ATOM 0 H SER A 17 -3.771 -17.834 -2.116 1.00 60.42 H new ATOM 0 HA SER A 17 -2.335 -15.383 -2.929 1.00 42.54 H new ATOM 0 HB2 SER A 17 -2.579 -16.252 -5.232 1.00 53.41 H new ATOM 0 HB3 SER A 17 -1.807 -17.458 -4.222 1.00 53.41 H new ATOM 0 HG SER A 17 -3.504 -18.360 -5.525 1.00 51.33 H new ATOM 273 N THR A 18 -5.485 -15.680 -2.661 1.00 22.21 N ATOM 274 CA THR A 18 -6.797 -15.047 -2.887 1.00 2.03 C ATOM 275 C THR A 18 -6.837 -13.614 -2.339 1.00 40.31 C ATOM 276 O THR A 18 -7.540 -12.756 -2.876 1.00 1.15 O ATOM 277 CB THR A 18 -7.971 -15.858 -2.270 1.00 35.51 C ATOM 278 OG1 THR A 18 -7.932 -15.809 -0.835 1.00 61.31 O ATOM 279 CG2 THR A 18 -7.932 -17.314 -2.723 1.00 71.44 C ATOM 0 H THR A 18 -5.469 -16.366 -1.906 1.00 22.21 H new ATOM 0 HA THR A 18 -6.927 -15.026 -3.969 1.00 2.03 H new ATOM 0 HB THR A 18 -8.897 -15.401 -2.620 1.00 35.51 H new ATOM 0 HG1 THR A 18 -7.006 -15.695 -0.537 1.00 61.31 H new ATOM 0 HG21 THR A 18 -8.765 -17.857 -2.276 1.00 71.44 H new ATOM 0 HG22 THR A 18 -8.011 -17.359 -3.809 1.00 71.44 H new ATOM 0 HG23 THR A 18 -6.992 -17.768 -2.408 1.00 71.44 H new ATOM 287 N ARG A 19 -6.079 -13.360 -1.275 1.00 32.51 N ATOM 288 CA ARG A 19 -5.984 -12.016 -0.683 1.00 63.01 C ATOM 289 C ARG A 19 -4.539 -11.501 -0.714 1.00 55.40 C ATOM 290 O ARG A 19 -3.593 -12.281 -0.829 1.00 72.04 O ATOM 291 CB ARG A 19 -6.491 -12.033 0.764 1.00 30.32 C ATOM 292 CG ARG A 19 -5.660 -12.911 1.691 1.00 34.12 C ATOM 293 CD ARG A 19 -6.235 -12.950 3.103 1.00 63.32 C ATOM 294 NE ARG A 19 -7.667 -13.246 3.109 1.00 21.14 N ATOM 295 CZ ARG A 19 -8.205 -14.372 2.701 1.00 63.03 C ATOM 296 NH1 ARG A 19 -7.482 -15.317 2.182 1.00 74.32 N ATOM 297 NH2 ARG A 19 -9.482 -14.542 2.788 1.00 60.20 N ATOM 0 H ARG A 19 -5.517 -14.066 -0.799 1.00 32.51 H new ATOM 0 HA ARG A 19 -6.606 -11.346 -1.276 1.00 63.01 H new ATOM 0 HB2 ARG A 19 -6.496 -11.014 1.150 1.00 30.32 H new ATOM 0 HB3 ARG A 19 -7.523 -12.383 0.774 1.00 30.32 H new ATOM 0 HG2 ARG A 19 -5.615 -13.923 1.289 1.00 34.12 H new ATOM 0 HG3 ARG A 19 -4.637 -12.536 1.726 1.00 34.12 H new ATOM 0 HD2 ARG A 19 -5.708 -13.704 3.687 1.00 63.32 H new ATOM 0 HD3 ARG A 19 -6.062 -11.990 3.590 1.00 63.32 H new ATOM 0 HE ARG A 19 -8.296 -12.522 3.457 1.00 21.14 H new ATOM 0 HH11 ARG A 19 -6.474 -15.193 2.084 1.00 74.32 H new ATOM 0 HH12 ARG A 19 -7.922 -16.184 1.872 1.00 74.32 H new ATOM 0 HH21 ARG A 19 -10.070 -13.803 3.173 1.00 60.20 H new ATOM 0 HH22 ARG A 19 -9.903 -15.416 2.472 1.00 60.20 H new ATOM 311 N LEU A 20 -4.372 -10.183 -0.607 1.00 33.44 N ATOM 312 CA LEU A 20 -3.036 -9.567 -0.628 1.00 54.31 C ATOM 313 C LEU A 20 -2.862 -8.541 0.512 1.00 43.22 C ATOM 314 O LEU A 20 -1.918 -7.753 0.509 1.00 0.14 O ATOM 315 CB LEU A 20 -2.768 -8.893 -1.991 1.00 13.54 C ATOM 316 CG LEU A 20 -2.886 -9.814 -3.228 1.00 4.24 C ATOM 317 CD1 LEU A 20 -4.335 -9.926 -3.701 1.00 71.42 C ATOM 318 CD2 LEU A 20 -1.980 -9.330 -4.357 1.00 41.21 C ATOM 0 H LEU A 20 -5.140 -9.519 -0.505 1.00 33.44 H new ATOM 0 HA LEU A 20 -2.309 -10.365 -0.476 1.00 54.31 H new ATOM 0 HB2 LEU A 20 -3.466 -8.064 -2.110 1.00 13.54 H new ATOM 0 HB3 LEU A 20 -1.766 -8.465 -1.973 1.00 13.54 H new ATOM 0 HG LEU A 20 -2.556 -10.810 -2.932 1.00 4.24 H new ATOM 0 HD11 LEU A 20 -4.384 -10.580 -4.572 1.00 71.42 H new ATOM 0 HD12 LEU A 20 -4.948 -10.341 -2.901 1.00 71.42 H new ATOM 0 HD13 LEU A 20 -4.708 -8.937 -3.968 1.00 71.42 H new ATOM 0 HD21 LEU A 20 -2.081 -9.994 -5.215 1.00 41.21 H new ATOM 0 HD22 LEU A 20 -2.267 -8.319 -4.645 1.00 41.21 H new ATOM 0 HD23 LEU A 20 -0.944 -9.331 -4.018 1.00 41.21 H new ATOM 330 N VAL A 21 -3.767 -8.570 1.492 1.00 40.52 N ATOM 331 CA VAL A 21 -3.723 -7.635 2.633 1.00 24.44 C ATOM 332 C VAL A 21 -3.392 -8.347 3.960 1.00 13.00 C ATOM 333 O VAL A 21 -4.025 -9.341 4.321 1.00 63.31 O ATOM 334 CB VAL A 21 -5.076 -6.886 2.790 1.00 54.34 C ATOM 335 CG1 VAL A 21 -5.126 -6.073 4.086 1.00 22.44 C ATOM 336 CG2 VAL A 21 -5.337 -5.990 1.582 1.00 15.41 C ATOM 0 H VAL A 21 -4.544 -9.230 1.524 1.00 40.52 H new ATOM 0 HA VAL A 21 -2.927 -6.923 2.414 1.00 24.44 H new ATOM 0 HB VAL A 21 -5.864 -7.638 2.844 1.00 54.34 H new ATOM 0 HG11 VAL A 21 -6.087 -5.564 4.159 1.00 22.44 H new ATOM 0 HG12 VAL A 21 -5.003 -6.740 4.939 1.00 22.44 H new ATOM 0 HG13 VAL A 21 -4.324 -5.335 4.084 1.00 22.44 H new ATOM 0 HG21 VAL A 21 -6.289 -5.474 1.710 1.00 15.41 H new ATOM 0 HG22 VAL A 21 -4.536 -5.256 1.493 1.00 15.41 H new ATOM 0 HG23 VAL A 21 -5.373 -6.599 0.679 1.00 15.41 H new ATOM 346 N THR A 22 -2.396 -7.828 4.681 1.00 54.41 N ATOM 347 CA THR A 22 -2.063 -8.323 6.027 1.00 63.14 C ATOM 348 C THR A 22 -2.639 -7.399 7.111 1.00 51.35 C ATOM 349 O THR A 22 -2.173 -6.268 7.298 1.00 61.10 O ATOM 350 CB THR A 22 -0.533 -8.445 6.242 1.00 55.31 C ATOM 351 OG1 THR A 22 0.027 -9.395 5.326 1.00 52.43 O ATOM 352 CG2 THR A 22 -0.209 -8.872 7.670 1.00 15.24 C ATOM 0 H THR A 22 -1.803 -7.064 4.358 1.00 54.41 H new ATOM 0 HA THR A 22 -2.509 -9.314 6.108 1.00 63.14 H new ATOM 0 HB THR A 22 -0.096 -7.463 6.062 1.00 55.31 H new ATOM 0 HG1 THR A 22 0.995 -9.255 5.261 1.00 52.43 H new ATOM 0 HG21 THR A 22 0.872 -8.949 7.790 1.00 15.24 H new ATOM 0 HG22 THR A 22 -0.600 -8.132 8.369 1.00 15.24 H new ATOM 0 HG23 THR A 22 -0.667 -9.840 7.873 1.00 15.24 H new ATOM 360 N ASP A 23 -3.649 -7.883 7.826 1.00 34.21 N ATOM 361 CA ASP A 23 -4.315 -7.092 8.863 1.00 62.11 C ATOM 362 C ASP A 23 -3.694 -7.313 10.260 1.00 40.14 C ATOM 363 O ASP A 23 -4.055 -8.246 10.981 1.00 61.11 O ATOM 364 CB ASP A 23 -5.819 -7.406 8.870 1.00 14.11 C ATOM 365 CG ASP A 23 -6.122 -8.888 9.043 1.00 10.04 C ATOM 366 OD1 ASP A 23 -5.810 -9.679 8.129 1.00 72.40 O ATOM 367 OD2 ASP A 23 -6.681 -9.267 10.095 1.00 73.43 O ATOM 0 H ASP A 23 -4.028 -8.823 7.708 1.00 34.21 H new ATOM 0 HA ASP A 23 -4.170 -6.038 8.625 1.00 62.11 H new ATOM 0 HB2 ASP A 23 -6.296 -6.848 9.675 1.00 14.11 H new ATOM 0 HB3 ASP A 23 -6.260 -7.058 7.936 1.00 14.11 H new ATOM 372 N GLU A 24 -2.738 -6.457 10.625 1.00 74.33 N ATOM 373 CA GLU A 24 -2.151 -6.472 11.975 1.00 34.45 C ATOM 374 C GLU A 24 -2.651 -5.273 12.793 1.00 23.34 C ATOM 375 O GLU A 24 -3.267 -5.438 13.848 1.00 72.22 O ATOM 376 CB GLU A 24 -0.616 -6.464 11.902 1.00 41.44 C ATOM 377 CG GLU A 24 -0.013 -7.739 11.318 1.00 54.55 C ATOM 378 CD GLU A 24 -0.210 -8.948 12.222 1.00 22.34 C ATOM 379 OE1 GLU A 24 -1.291 -9.575 12.171 1.00 34.41 O ATOM 380 OE2 GLU A 24 0.715 -9.278 12.993 1.00 25.42 O ATOM 0 H GLU A 24 -2.351 -5.743 10.008 1.00 74.33 H new ATOM 0 HA GLU A 24 -2.467 -7.389 12.472 1.00 34.45 H new ATOM 0 HB2 GLU A 24 -0.296 -5.614 11.299 1.00 41.44 H new ATOM 0 HB3 GLU A 24 -0.216 -6.312 12.905 1.00 41.44 H new ATOM 0 HG2 GLU A 24 -0.466 -7.939 10.347 1.00 54.55 H new ATOM 0 HG3 GLU A 24 1.053 -7.587 11.148 1.00 54.55 H new ATOM 387 N ALA A 25 -2.380 -4.061 12.300 1.00 1.25 N ATOM 388 CA ALA A 25 -2.900 -2.837 12.923 1.00 22.24 C ATOM 389 C ALA A 25 -4.436 -2.794 12.905 1.00 51.32 C ATOM 390 O ALA A 25 -5.058 -2.261 13.823 1.00 62.41 O ATOM 391 CB ALA A 25 -2.340 -1.604 12.222 1.00 73.51 C ATOM 0 H ALA A 25 -1.805 -3.900 11.473 1.00 1.25 H new ATOM 0 HA ALA A 25 -2.577 -2.841 13.964 1.00 22.24 H new ATOM 0 HB1 ALA A 25 -2.735 -0.705 12.696 1.00 73.51 H new ATOM 0 HB2 ALA A 25 -1.253 -1.605 12.297 1.00 73.51 H new ATOM 0 HB3 ALA A 25 -2.632 -1.619 11.172 1.00 73.51 H new ATOM 397 N GLY A 26 -5.037 -3.356 11.852 1.00 24.22 N ATOM 398 CA GLY A 26 -6.493 -3.353 11.717 1.00 44.31 C ATOM 399 C GLY A 26 -7.085 -1.943 11.678 1.00 34.03 C ATOM 400 O GLY A 26 -8.025 -1.631 12.406 1.00 43.45 O ATOM 0 H GLY A 26 -4.541 -3.815 11.088 1.00 24.22 H new ATOM 0 HA2 GLY A 26 -6.769 -3.883 10.805 1.00 44.31 H new ATOM 0 HA3 GLY A 26 -6.931 -3.902 12.550 1.00 44.31 H new ATOM 404 N LEU A 27 -6.528 -1.092 10.820 1.00 45.44 N ATOM 405 CA LEU A 27 -6.946 0.315 10.727 1.00 21.43 C ATOM 406 C LEU A 27 -8.071 0.520 9.700 1.00 0.02 C ATOM 407 O LEU A 27 -8.387 1.654 9.339 1.00 3.34 O ATOM 408 CB LEU A 27 -5.734 1.190 10.370 1.00 2.13 C ATOM 409 CG LEU A 27 -4.642 1.259 11.453 1.00 1.22 C ATOM 410 CD1 LEU A 27 -3.415 2.005 10.940 1.00 5.41 C ATOM 411 CD2 LEU A 27 -5.185 1.925 12.717 1.00 52.04 C ATOM 0 H LEU A 27 -5.782 -1.349 10.174 1.00 45.44 H new ATOM 0 HA LEU A 27 -7.342 0.610 11.699 1.00 21.43 H new ATOM 0 HB2 LEU A 27 -5.289 0.811 9.450 1.00 2.13 H new ATOM 0 HB3 LEU A 27 -6.083 2.201 10.162 1.00 2.13 H new ATOM 0 HG LEU A 27 -4.341 0.241 11.699 1.00 1.22 H new ATOM 0 HD11 LEU A 27 -2.657 2.041 11.723 1.00 5.41 H new ATOM 0 HD12 LEU A 27 -3.013 1.488 10.069 1.00 5.41 H new ATOM 0 HD13 LEU A 27 -3.697 3.020 10.661 1.00 5.41 H new ATOM 0 HD21 LEU A 27 -4.400 1.966 13.473 1.00 52.04 H new ATOM 0 HD22 LEU A 27 -5.515 2.937 12.482 1.00 52.04 H new ATOM 0 HD23 LEU A 27 -6.027 1.348 13.099 1.00 52.04 H new ATOM 423 N LEU A 28 -8.679 -0.573 9.239 1.00 50.13 N ATOM 424 CA LEU A 28 -9.774 -0.493 8.268 1.00 75.15 C ATOM 425 C LEU A 28 -11.035 -1.206 8.778 1.00 51.34 C ATOM 426 O LEU A 28 -10.986 -1.995 9.725 1.00 20.12 O ATOM 427 CB LEU A 28 -9.364 -1.096 6.911 1.00 74.42 C ATOM 428 CG LEU A 28 -8.110 -0.486 6.249 1.00 15.24 C ATOM 429 CD1 LEU A 28 -6.834 -1.139 6.772 1.00 11.34 C ATOM 430 CD2 LEU A 28 -8.190 -0.597 4.727 1.00 31.31 C ATOM 0 H LEU A 28 -8.434 -1.522 9.520 1.00 50.13 H new ATOM 0 HA LEU A 28 -9.997 0.566 8.136 1.00 75.15 H new ATOM 0 HB2 LEU A 28 -9.195 -2.164 7.047 1.00 74.42 H new ATOM 0 HB3 LEU A 28 -10.202 -0.991 6.222 1.00 74.42 H new ATOM 0 HG LEU A 28 -8.076 0.571 6.514 1.00 15.24 H new ATOM 0 HD11 LEU A 28 -5.969 -0.688 6.286 1.00 11.34 H new ATOM 0 HD12 LEU A 28 -6.764 -0.990 7.850 1.00 11.34 H new ATOM 0 HD13 LEU A 28 -6.856 -2.207 6.554 1.00 11.34 H new ATOM 0 HD21 LEU A 28 -7.295 -0.161 4.283 1.00 31.31 H new ATOM 0 HD22 LEU A 28 -8.262 -1.647 4.442 1.00 31.31 H new ATOM 0 HD23 LEU A 28 -9.070 -0.063 4.369 1.00 31.31 H new ATOM 442 N SER A 29 -12.164 -0.906 8.145 1.00 12.43 N ATOM 443 CA SER A 29 -13.435 -1.585 8.433 1.00 21.52 C ATOM 444 C SER A 29 -13.532 -2.912 7.670 1.00 24.12 C ATOM 445 O SER A 29 -12.901 -3.078 6.626 1.00 70.14 O ATOM 446 CB SER A 29 -14.621 -0.686 8.049 1.00 53.12 C ATOM 447 OG SER A 29 -15.848 -1.396 8.113 1.00 32.54 O ATOM 0 H SER A 29 -12.231 -0.191 7.421 1.00 12.43 H new ATOM 0 HA SER A 29 -13.469 -1.791 9.503 1.00 21.52 H new ATOM 0 HB2 SER A 29 -14.660 0.173 8.718 1.00 53.12 H new ATOM 0 HB3 SER A 29 -14.475 -0.298 7.041 1.00 53.12 H new ATOM 0 HG SER A 29 -16.585 -0.799 7.865 1.00 32.54 H new ATOM 453 N ASN A 30 -14.344 -3.843 8.181 1.00 12.32 N ATOM 454 CA ASN A 30 -14.501 -5.173 7.566 1.00 2.11 C ATOM 455 C ASN A 30 -14.861 -5.076 6.073 1.00 52.31 C ATOM 456 O ASN A 30 -14.346 -5.834 5.247 1.00 5.32 O ATOM 457 CB ASN A 30 -15.569 -5.980 8.315 1.00 1.15 C ATOM 458 CG ASN A 30 -15.152 -6.295 9.739 1.00 4.23 C ATOM 459 OD1 ASN A 30 -15.395 -5.521 10.660 1.00 75.53 O ATOM 460 ND2 ASN A 30 -14.514 -7.431 9.933 1.00 63.23 N ATOM 0 H ASN A 30 -14.906 -3.703 9.021 1.00 12.32 H new ATOM 0 HA ASN A 30 -13.542 -5.685 7.641 1.00 2.11 H new ATOM 0 HB2 ASN A 30 -16.504 -5.420 8.327 1.00 1.15 H new ATOM 0 HB3 ASN A 30 -15.762 -6.910 7.780 1.00 1.15 H new ATOM 0 HD21 ASN A 30 -14.206 -7.689 10.871 1.00 63.23 H new ATOM 0 HD22 ASN A 30 -14.328 -8.052 9.146 1.00 63.23 H new ATOM 467 N ALA A 31 -15.739 -4.135 5.734 1.00 24.12 N ATOM 468 CA ALA A 31 -16.107 -3.897 4.335 1.00 51.42 C ATOM 469 C ALA A 31 -14.905 -3.391 3.521 1.00 11.53 C ATOM 470 O ALA A 31 -14.632 -3.881 2.428 1.00 31.52 O ATOM 471 CB ALA A 31 -17.263 -2.908 4.252 1.00 75.51 C ATOM 0 H ALA A 31 -16.209 -3.526 6.404 1.00 24.12 H new ATOM 0 HA ALA A 31 -16.426 -4.846 3.904 1.00 51.42 H new ATOM 0 HB1 ALA A 31 -17.525 -2.741 3.207 1.00 75.51 H new ATOM 0 HB2 ALA A 31 -18.126 -3.311 4.782 1.00 75.51 H new ATOM 0 HB3 ALA A 31 -16.967 -1.963 4.707 1.00 75.51 H new ATOM 477 N GLN A 32 -14.178 -2.417 4.075 1.00 42.33 N ATOM 478 CA GLN A 32 -12.992 -1.851 3.411 1.00 10.11 C ATOM 479 C GLN A 32 -11.925 -2.926 3.144 1.00 71.10 C ATOM 480 O GLN A 32 -11.301 -2.945 2.077 1.00 71.14 O ATOM 481 CB GLN A 32 -12.411 -0.709 4.257 1.00 62.00 C ATOM 482 CG GLN A 32 -13.278 0.550 4.265 1.00 71.12 C ATOM 483 CD GLN A 32 -12.816 1.579 5.283 1.00 4.54 C ATOM 484 OE1 GLN A 32 -12.303 1.237 6.339 1.00 61.12 O ATOM 485 NE2 GLN A 32 -12.970 2.848 4.967 1.00 4.43 N ATOM 0 H GLN A 32 -14.387 -2.001 4.983 1.00 42.33 H new ATOM 0 HA GLN A 32 -13.303 -1.455 2.444 1.00 10.11 H new ATOM 0 HB2 GLN A 32 -12.281 -1.057 5.282 1.00 62.00 H new ATOM 0 HB3 GLN A 32 -11.421 -0.455 3.879 1.00 62.00 H new ATOM 0 HG2 GLN A 32 -13.267 0.999 3.272 1.00 71.12 H new ATOM 0 HG3 GLN A 32 -14.310 0.273 4.479 1.00 71.12 H new ATOM 0 HE21 GLN A 32 -13.401 3.104 4.079 1.00 4.43 H new ATOM 0 HE22 GLN A 32 -12.658 3.575 5.610 1.00 4.43 H new ATOM 494 N GLU A 33 -11.723 -3.816 4.114 1.00 3.40 N ATOM 495 CA GLU A 33 -10.841 -4.979 3.944 1.00 32.30 C ATOM 496 C GLU A 33 -11.269 -5.820 2.728 1.00 3.10 C ATOM 497 O GLU A 33 -10.473 -6.090 1.821 1.00 11.51 O ATOM 498 CB GLU A 33 -10.882 -5.852 5.208 1.00 35.33 C ATOM 499 CG GLU A 33 -10.329 -5.176 6.460 1.00 55.12 C ATOM 500 CD GLU A 33 -8.810 -5.109 6.474 1.00 33.11 C ATOM 501 OE1 GLU A 33 -8.183 -6.068 6.976 1.00 31.43 O ATOM 502 OE2 GLU A 33 -8.246 -4.113 5.985 1.00 2.05 O ATOM 0 H GLU A 33 -12.160 -3.756 5.034 1.00 3.40 H new ATOM 0 HA GLU A 33 -9.826 -4.617 3.778 1.00 32.30 H new ATOM 0 HB2 GLU A 33 -11.914 -6.149 5.396 1.00 35.33 H new ATOM 0 HB3 GLU A 33 -10.316 -6.765 5.023 1.00 35.33 H new ATOM 0 HG2 GLU A 33 -10.733 -4.166 6.530 1.00 55.12 H new ATOM 0 HG3 GLU A 33 -10.672 -5.718 7.341 1.00 55.12 H new ATOM 509 N GLU A 34 -12.542 -6.221 2.720 1.00 10.30 N ATOM 510 CA GLU A 34 -13.123 -6.997 1.616 1.00 41.02 C ATOM 511 C GLU A 34 -12.922 -6.299 0.258 1.00 22.14 C ATOM 512 O GLU A 34 -12.483 -6.918 -0.716 1.00 44.53 O ATOM 513 CB GLU A 34 -14.622 -7.211 1.877 1.00 24.21 C ATOM 514 CG GLU A 34 -15.366 -7.899 0.737 1.00 35.01 C ATOM 515 CD GLU A 34 -16.842 -8.094 1.038 1.00 55.01 C ATOM 516 OE1 GLU A 34 -17.199 -9.121 1.652 1.00 31.03 O ATOM 517 OE2 GLU A 34 -17.654 -7.210 0.683 1.00 51.31 O ATOM 0 H GLU A 34 -13.199 -6.019 3.474 1.00 10.30 H new ATOM 0 HA GLU A 34 -12.610 -7.958 1.571 1.00 41.02 H new ATOM 0 HB2 GLU A 34 -14.740 -7.805 2.783 1.00 24.21 H new ATOM 0 HB3 GLU A 34 -15.087 -6.244 2.067 1.00 24.21 H new ATOM 0 HG2 GLU A 34 -15.259 -7.307 -0.172 1.00 35.01 H new ATOM 0 HG3 GLU A 34 -14.908 -8.868 0.541 1.00 35.01 H new ATOM 524 N VAL A 35 -13.251 -5.012 0.206 1.00 33.32 N ATOM 525 CA VAL A 35 -13.133 -4.225 -1.027 1.00 41.23 C ATOM 526 C VAL A 35 -11.673 -4.091 -1.490 1.00 0.34 C ATOM 527 O VAL A 35 -11.379 -4.211 -2.682 1.00 51.34 O ATOM 528 CB VAL A 35 -13.735 -2.812 -0.848 1.00 53.20 C ATOM 529 CG1 VAL A 35 -13.577 -1.979 -2.122 1.00 55.21 C ATOM 530 CG2 VAL A 35 -15.206 -2.897 -0.442 1.00 64.34 C ATOM 0 H VAL A 35 -13.604 -4.486 1.005 1.00 33.32 H new ATOM 0 HA VAL A 35 -13.692 -4.766 -1.790 1.00 41.23 H new ATOM 0 HB VAL A 35 -13.185 -2.315 -0.049 1.00 53.20 H new ATOM 0 HG11 VAL A 35 -14.009 -0.991 -1.966 1.00 55.21 H new ATOM 0 HG12 VAL A 35 -12.519 -1.878 -2.362 1.00 55.21 H new ATOM 0 HG13 VAL A 35 -14.090 -2.474 -2.946 1.00 55.21 H new ATOM 0 HG21 VAL A 35 -15.609 -1.891 -0.322 1.00 64.34 H new ATOM 0 HG22 VAL A 35 -15.767 -3.423 -1.215 1.00 64.34 H new ATOM 0 HG23 VAL A 35 -15.293 -3.438 0.500 1.00 64.34 H new ATOM 540 N MET A 36 -10.756 -3.840 -0.553 1.00 22.15 N ATOM 541 CA MET A 36 -9.342 -3.676 -0.902 1.00 11.53 C ATOM 542 C MET A 36 -8.778 -4.959 -1.516 1.00 74.44 C ATOM 543 O MET A 36 -8.198 -4.928 -2.599 1.00 21.14 O ATOM 544 CB MET A 36 -8.514 -3.257 0.322 1.00 30.23 C ATOM 545 CG MET A 36 -7.034 -3.051 0.015 1.00 32.31 C ATOM 546 SD MET A 36 -6.136 -2.277 1.373 1.00 62.33 S ATOM 547 CE MET A 36 -6.914 -0.664 1.418 1.00 43.52 C ATOM 0 H MET A 36 -10.963 -3.747 0.441 1.00 22.15 H new ATOM 0 HA MET A 36 -9.275 -2.881 -1.645 1.00 11.53 H new ATOM 0 HB2 MET A 36 -8.924 -2.333 0.729 1.00 30.23 H new ATOM 0 HB3 MET A 36 -8.614 -4.018 1.096 1.00 30.23 H new ATOM 0 HG2 MET A 36 -6.578 -4.014 -0.213 1.00 32.31 H new ATOM 0 HG3 MET A 36 -6.936 -2.433 -0.877 1.00 32.31 H new ATOM 0 HE1 MET A 36 -6.343 -0.002 2.069 1.00 43.52 H new ATOM 0 HE2 MET A 36 -6.943 -0.246 0.412 1.00 43.52 H new ATOM 0 HE3 MET A 36 -7.930 -0.761 1.801 1.00 43.52 H new ATOM 557 N ASN A 37 -8.978 -6.092 -0.842 1.00 4.42 N ATOM 558 CA ASN A 37 -8.509 -7.382 -1.367 1.00 53.15 C ATOM 559 C ASN A 37 -9.172 -7.703 -2.718 1.00 55.12 C ATOM 560 O ASN A 37 -8.526 -8.231 -3.625 1.00 40.14 O ATOM 561 CB ASN A 37 -8.761 -8.519 -0.367 1.00 60.32 C ATOM 562 CG ASN A 37 -7.836 -8.450 0.838 1.00 65.14 C ATOM 563 OD1 ASN A 37 -6.703 -8.920 0.790 1.00 31.15 O ATOM 564 ND2 ASN A 37 -8.312 -7.884 1.931 1.00 3.00 N ATOM 0 H ASN A 37 -9.455 -6.147 0.058 1.00 4.42 H new ATOM 0 HA ASN A 37 -7.433 -7.298 -1.521 1.00 53.15 H new ATOM 0 HB2 ASN A 37 -9.796 -8.478 -0.029 1.00 60.32 H new ATOM 0 HB3 ASN A 37 -8.627 -9.477 -0.870 1.00 60.32 H new ATOM 0 HD21 ASN A 37 -7.734 -7.827 2.769 1.00 3.00 H new ATOM 0 HD22 ASN A 37 -9.258 -7.503 1.937 1.00 3.00 H new ATOM 571 N GLY A 38 -10.457 -7.367 -2.846 1.00 13.13 N ATOM 572 CA GLY A 38 -11.164 -7.560 -4.110 1.00 62.15 C ATOM 573 C GLY A 38 -10.545 -6.772 -5.264 1.00 65.24 C ATOM 574 O GLY A 38 -10.308 -7.322 -6.344 1.00 75.02 O ATOM 0 H GLY A 38 -11.022 -6.965 -2.099 1.00 13.13 H new ATOM 0 HA2 GLY A 38 -11.166 -8.621 -4.361 1.00 62.15 H new ATOM 0 HA3 GLY A 38 -12.205 -7.259 -3.988 1.00 62.15 H new ATOM 578 N ARG A 39 -10.278 -5.483 -5.036 1.00 41.24 N ATOM 579 CA ARG A 39 -9.631 -4.629 -6.044 1.00 54.01 C ATOM 580 C ARG A 39 -8.201 -5.096 -6.356 1.00 52.22 C ATOM 581 O ARG A 39 -7.821 -5.190 -7.520 1.00 32.24 O ATOM 582 CB ARG A 39 -9.617 -3.161 -5.587 1.00 44.33 C ATOM 583 CG ARG A 39 -10.983 -2.482 -5.662 1.00 71.23 C ATOM 584 CD ARG A 39 -10.906 -1.003 -5.293 1.00 64.12 C ATOM 585 NE ARG A 39 -10.614 -0.797 -3.874 1.00 70.41 N ATOM 586 CZ ARG A 39 -10.382 0.373 -3.339 1.00 13.41 C ATOM 587 NH1 ARG A 39 -10.357 1.441 -4.071 1.00 11.31 N ATOM 588 NH2 ARG A 39 -10.185 0.475 -2.066 1.00 2.04 N ATOM 0 H ARG A 39 -10.499 -5.005 -4.163 1.00 41.24 H new ATOM 0 HA ARG A 39 -10.218 -4.711 -6.959 1.00 54.01 H new ATOM 0 HB2 ARG A 39 -9.253 -3.113 -4.561 1.00 44.33 H new ATOM 0 HB3 ARG A 39 -8.910 -2.605 -6.203 1.00 44.33 H new ATOM 0 HG2 ARG A 39 -11.384 -2.584 -6.670 1.00 71.23 H new ATOM 0 HG3 ARG A 39 -11.677 -2.988 -4.991 1.00 71.23 H new ATOM 0 HD2 ARG A 39 -10.135 -0.521 -5.894 1.00 64.12 H new ATOM 0 HD3 ARG A 39 -11.851 -0.520 -5.541 1.00 64.12 H new ATOM 0 HE ARG A 39 -10.590 -1.615 -3.266 1.00 70.41 H new ATOM 0 HH11 ARG A 39 -10.519 1.375 -5.076 1.00 11.31 H new ATOM 0 HH12 ARG A 39 -10.175 2.349 -3.643 1.00 11.31 H new ATOM 0 HH21 ARG A 39 -10.210 -0.358 -1.478 1.00 2.04 H new ATOM 0 HH22 ARG A 39 -10.004 1.388 -1.650 1.00 2.04 H new ATOM 602 N LEU A 40 -7.414 -5.390 -5.319 1.00 33.02 N ATOM 603 CA LEU A 40 -6.042 -5.895 -5.505 1.00 64.25 C ATOM 604 C LEU A 40 -6.039 -7.166 -6.368 1.00 4.25 C ATOM 605 O LEU A 40 -5.189 -7.345 -7.244 1.00 32.20 O ATOM 606 CB LEU A 40 -5.382 -6.190 -4.147 1.00 75.51 C ATOM 607 CG LEU A 40 -5.260 -4.992 -3.188 1.00 10.31 C ATOM 608 CD1 LEU A 40 -4.560 -5.405 -1.896 1.00 14.44 C ATOM 609 CD2 LEU A 40 -4.526 -3.834 -3.855 1.00 60.51 C ATOM 0 H LEU A 40 -7.697 -5.290 -4.344 1.00 33.02 H new ATOM 0 HA LEU A 40 -5.470 -5.121 -6.017 1.00 64.25 H new ATOM 0 HB2 LEU A 40 -5.953 -6.973 -3.649 1.00 75.51 H new ATOM 0 HB3 LEU A 40 -4.384 -6.589 -4.328 1.00 75.51 H new ATOM 0 HG LEU A 40 -6.266 -4.654 -2.938 1.00 10.31 H new ATOM 0 HD11 LEU A 40 -4.484 -4.544 -1.232 1.00 14.44 H new ATOM 0 HD12 LEU A 40 -5.135 -6.191 -1.406 1.00 14.44 H new ATOM 0 HD13 LEU A 40 -3.561 -5.775 -2.126 1.00 14.44 H new ATOM 0 HD21 LEU A 40 -4.453 -3.000 -3.157 1.00 60.51 H new ATOM 0 HD22 LEU A 40 -3.525 -4.155 -4.143 1.00 60.51 H new ATOM 0 HD23 LEU A 40 -5.075 -3.518 -4.742 1.00 60.51 H new ATOM 621 N ARG A 41 -7.007 -8.042 -6.111 1.00 32.31 N ATOM 622 CA ARG A 41 -7.176 -9.271 -6.889 1.00 25.45 C ATOM 623 C ARG A 41 -7.614 -8.962 -8.334 1.00 14.11 C ATOM 624 O ARG A 41 -7.157 -9.603 -9.284 1.00 52.33 O ATOM 625 CB ARG A 41 -8.192 -10.182 -6.191 1.00 20.31 C ATOM 626 CG ARG A 41 -8.487 -11.486 -6.923 1.00 75.23 C ATOM 627 CD ARG A 41 -9.303 -12.438 -6.055 1.00 74.34 C ATOM 628 NE ARG A 41 -10.519 -11.807 -5.537 1.00 0.00 N ATOM 629 CZ ARG A 41 -10.855 -11.785 -4.274 1.00 65.24 C ATOM 630 NH1 ARG A 41 -10.055 -12.247 -3.370 1.00 2.35 N ATOM 631 NH2 ARG A 41 -11.982 -11.266 -3.909 1.00 55.32 N ATOM 0 H ARG A 41 -7.692 -7.924 -5.365 1.00 32.31 H new ATOM 0 HA ARG A 41 -6.216 -9.785 -6.946 1.00 25.45 H new ATOM 0 HB2 ARG A 41 -7.823 -10.417 -5.193 1.00 20.31 H new ATOM 0 HB3 ARG A 41 -9.125 -9.633 -6.065 1.00 20.31 H new ATOM 0 HG2 ARG A 41 -9.031 -11.274 -7.843 1.00 75.23 H new ATOM 0 HG3 ARG A 41 -7.550 -11.964 -7.209 1.00 75.23 H new ATOM 0 HD2 ARG A 41 -9.572 -13.319 -6.638 1.00 74.34 H new ATOM 0 HD3 ARG A 41 -8.691 -12.783 -5.222 1.00 74.34 H new ATOM 0 HE ARG A 41 -11.144 -11.356 -6.205 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -9.150 -12.634 -3.639 1.00 2.35 H new ATOM 0 HH12 ARG A 41 -10.328 -12.224 -2.388 1.00 2.35 H new ATOM 0 HH21 ARG A 41 -12.612 -10.872 -4.608 1.00 55.32 H new ATOM 0 HH22 ARG A 41 -12.241 -11.251 -2.922 1.00 55.32 H new ATOM 645 N ALA A 42 -8.491 -7.972 -8.496 1.00 74.11 N ATOM 646 CA ALA A 42 -8.898 -7.511 -9.828 1.00 71.42 C ATOM 647 C ALA A 42 -7.687 -6.998 -10.622 1.00 31.04 C ATOM 648 O ALA A 42 -7.493 -7.351 -11.785 1.00 45.42 O ATOM 649 CB ALA A 42 -9.961 -6.423 -9.712 1.00 71.41 C ATOM 0 H ALA A 42 -8.934 -7.473 -7.725 1.00 74.11 H new ATOM 0 HA ALA A 42 -9.324 -8.357 -10.367 1.00 71.42 H new ATOM 0 HB1 ALA A 42 -10.253 -6.091 -10.709 1.00 71.41 H new ATOM 0 HB2 ALA A 42 -10.833 -6.820 -9.192 1.00 71.41 H new ATOM 0 HB3 ALA A 42 -9.558 -5.579 -9.152 1.00 71.41 H new ATOM 655 N ILE A 43 -6.868 -6.172 -9.973 1.00 1.42 N ATOM 656 CA ILE A 43 -5.616 -5.684 -10.563 1.00 1.25 C ATOM 657 C ILE A 43 -4.679 -6.855 -10.892 1.00 21.31 C ATOM 658 O ILE A 43 -4.055 -6.887 -11.954 1.00 3.21 O ATOM 659 CB ILE A 43 -4.886 -4.709 -9.601 1.00 13.35 C ATOM 660 CG1 ILE A 43 -5.793 -3.513 -9.259 1.00 11.24 C ATOM 661 CG2 ILE A 43 -3.567 -4.230 -10.210 1.00 33.21 C ATOM 662 CD1 ILE A 43 -5.191 -2.549 -8.253 1.00 61.14 C ATOM 0 H ILE A 43 -7.048 -5.823 -9.032 1.00 1.42 H new ATOM 0 HA ILE A 43 -5.874 -5.154 -11.480 1.00 1.25 H new ATOM 0 HB ILE A 43 -4.658 -5.244 -8.679 1.00 13.35 H new ATOM 0 HG12 ILE A 43 -6.021 -2.969 -10.176 1.00 11.24 H new ATOM 0 HG13 ILE A 43 -6.738 -3.888 -8.867 1.00 11.24 H new ATOM 0 HG21 ILE A 43 -3.073 -3.548 -9.518 1.00 33.21 H new ATOM 0 HG22 ILE A 43 -2.920 -5.087 -10.398 1.00 33.21 H new ATOM 0 HG23 ILE A 43 -3.766 -3.713 -11.149 1.00 33.21 H new ATOM 0 HD11 ILE A 43 -5.891 -1.735 -8.065 1.00 61.14 H new ATOM 0 HD12 ILE A 43 -4.989 -3.076 -7.320 1.00 61.14 H new ATOM 0 HD13 ILE A 43 -4.260 -2.143 -8.650 1.00 61.14 H new ATOM 674 N ARG A 44 -4.610 -7.821 -9.972 1.00 32.25 N ATOM 675 CA ARG A 44 -3.781 -9.025 -10.136 1.00 60.15 C ATOM 676 C ARG A 44 -4.038 -9.713 -11.490 1.00 64.53 C ATOM 677 O ARG A 44 -3.133 -10.304 -12.082 1.00 63.05 O ATOM 678 CB ARG A 44 -4.075 -10.014 -8.994 1.00 32.35 C ATOM 679 CG ARG A 44 -3.132 -11.214 -8.941 1.00 4.40 C ATOM 680 CD ARG A 44 -1.756 -10.828 -8.410 1.00 32.32 C ATOM 681 NE ARG A 44 -0.828 -11.960 -8.397 1.00 74.23 N ATOM 682 CZ ARG A 44 -0.489 -12.628 -7.326 1.00 44.15 C ATOM 683 NH1 ARG A 44 -1.054 -12.391 -6.184 1.00 51.13 N ATOM 684 NH2 ARG A 44 0.401 -13.557 -7.410 1.00 45.43 N ATOM 0 H ARG A 44 -5.126 -7.793 -9.092 1.00 32.25 H new ATOM 0 HA ARG A 44 -2.736 -8.718 -10.107 1.00 60.15 H new ATOM 0 HB2 ARG A 44 -4.019 -9.481 -8.045 1.00 32.35 H new ATOM 0 HB3 ARG A 44 -5.098 -10.375 -9.097 1.00 32.35 H new ATOM 0 HG2 ARG A 44 -3.563 -11.988 -8.306 1.00 4.40 H new ATOM 0 HG3 ARG A 44 -3.030 -11.641 -9.939 1.00 4.40 H new ATOM 0 HD2 ARG A 44 -1.342 -10.029 -9.026 1.00 32.32 H new ATOM 0 HD3 ARG A 44 -1.857 -10.432 -7.399 1.00 32.32 H new ATOM 0 HE ARG A 44 -0.417 -12.247 -9.285 1.00 74.23 H new ATOM 0 HH11 ARG A 44 -1.775 -11.674 -6.111 1.00 51.13 H new ATOM 0 HH12 ARG A 44 -0.777 -12.922 -5.358 1.00 51.13 H new ATOM 0 HH21 ARG A 44 0.836 -13.767 -8.308 1.00 45.43 H new ATOM 0 HH22 ARG A 44 0.670 -14.082 -6.578 1.00 45.43 H new ATOM 698 N SER A 45 -5.278 -9.634 -11.966 1.00 35.33 N ATOM 699 CA SER A 45 -5.665 -10.247 -13.245 1.00 62.13 C ATOM 700 C SER A 45 -5.701 -9.215 -14.383 1.00 4.40 C ATOM 701 O SER A 45 -4.969 -9.332 -15.366 1.00 51.35 O ATOM 702 CB SER A 45 -7.041 -10.916 -13.112 1.00 73.21 C ATOM 703 OG SER A 45 -7.430 -11.540 -14.325 1.00 32.13 O ATOM 0 H SER A 45 -6.038 -9.151 -11.487 1.00 35.33 H new ATOM 0 HA SER A 45 -4.913 -10.996 -13.493 1.00 62.13 H new ATOM 0 HB2 SER A 45 -7.012 -11.656 -12.313 1.00 73.21 H new ATOM 0 HB3 SER A 45 -7.784 -10.171 -12.829 1.00 73.21 H new ATOM 0 HG SER A 45 -8.309 -11.959 -14.210 1.00 32.13 H new ATOM 709 N SER A 46 -6.549 -8.198 -14.231 1.00 13.33 N ATOM 710 CA SER A 46 -6.761 -7.179 -15.275 1.00 23.43 C ATOM 711 C SER A 46 -5.468 -6.432 -15.640 1.00 71.24 C ATOM 712 O SER A 46 -5.166 -6.234 -16.818 1.00 64.42 O ATOM 713 CB SER A 46 -7.822 -6.171 -14.813 1.00 22.21 C ATOM 714 OG SER A 46 -8.107 -5.209 -15.819 1.00 11.42 O ATOM 0 H SER A 46 -7.107 -8.052 -13.390 1.00 13.33 H new ATOM 0 HA SER A 46 -7.101 -7.702 -16.169 1.00 23.43 H new ATOM 0 HB2 SER A 46 -8.736 -6.701 -14.547 1.00 22.21 H new ATOM 0 HB3 SER A 46 -7.475 -5.664 -13.913 1.00 22.21 H new ATOM 0 HG SER A 46 -8.787 -4.585 -15.491 1.00 11.42 H new ATOM 720 N HIS A 47 -4.715 -6.011 -14.627 1.00 43.43 N ATOM 721 CA HIS A 47 -3.470 -5.258 -14.845 1.00 52.15 C ATOM 722 C HIS A 47 -2.232 -6.141 -14.614 1.00 4.21 C ATOM 723 O HIS A 47 -1.105 -5.727 -14.881 1.00 1.24 O ATOM 724 CB HIS A 47 -3.425 -4.041 -13.915 1.00 32.04 C ATOM 725 CG HIS A 47 -4.621 -3.146 -14.047 1.00 15.30 C ATOM 726 ND1 HIS A 47 -4.765 -2.308 -15.120 1.00 71.42 N ATOM 727 CD2 HIS A 47 -5.699 -3.012 -13.235 1.00 23.03 C ATOM 728 CE1 HIS A 47 -5.912 -1.686 -14.943 1.00 53.33 C ATOM 729 NE2 HIS A 47 -6.516 -2.077 -13.814 1.00 44.54 N ATOM 0 H HIS A 47 -4.940 -6.175 -13.646 1.00 43.43 H new ATOM 0 HA HIS A 47 -3.456 -4.924 -15.882 1.00 52.15 H new ATOM 0 HB2 HIS A 47 -3.349 -4.384 -12.883 1.00 32.04 H new ATOM 0 HB3 HIS A 47 -2.524 -3.465 -14.126 1.00 32.04 H new ATOM 0 HD2 HIS A 47 -5.879 -3.540 -12.310 1.00 23.03 H new ATOM 0 HE1 HIS A 47 -6.316 -0.951 -15.624 1.00 53.33 H new ATOM 0 HE2 HIS A 47 -7.411 -1.744 -13.455 1.00 44.54 H new ATOM 737 N ALA A 48 -2.463 -7.345 -14.081 1.00 24.55 N ATOM 738 CA ALA A 48 -1.404 -8.337 -13.825 1.00 4.42 C ATOM 739 C ALA A 48 -0.469 -7.942 -12.665 1.00 50.03 C ATOM 740 O ALA A 48 0.386 -8.728 -12.253 1.00 22.45 O ATOM 741 CB ALA A 48 -0.600 -8.616 -15.096 1.00 22.22 C ATOM 0 H ALA A 48 -3.394 -7.664 -13.812 1.00 24.55 H new ATOM 0 HA ALA A 48 -1.910 -9.252 -13.516 1.00 4.42 H new ATOM 0 HB1 ALA A 48 0.176 -9.351 -14.882 1.00 22.22 H new ATOM 0 HB2 ALA A 48 -1.264 -9.004 -15.869 1.00 22.22 H new ATOM 0 HB3 ALA A 48 -0.138 -7.692 -15.444 1.00 22.22 H new ATOM 747 N VAL A 49 -0.647 -6.737 -12.127 1.00 24.21 N ATOM 748 CA VAL A 49 0.219 -6.227 -11.058 1.00 12.24 C ATOM 749 C VAL A 49 -0.089 -6.886 -9.704 1.00 72.12 C ATOM 750 O VAL A 49 -1.225 -6.851 -9.223 1.00 72.41 O ATOM 751 CB VAL A 49 0.096 -4.686 -10.918 1.00 22.40 C ATOM 752 CG1 VAL A 49 1.003 -4.160 -9.803 1.00 44.34 C ATOM 753 CG2 VAL A 49 0.414 -4.004 -12.249 1.00 14.14 C ATOM 0 H VAL A 49 -1.384 -6.092 -12.412 1.00 24.21 H new ATOM 0 HA VAL A 49 1.240 -6.481 -11.343 1.00 12.24 H new ATOM 0 HB VAL A 49 -0.933 -4.449 -10.647 1.00 22.40 H new ATOM 0 HG11 VAL A 49 0.896 -3.078 -9.727 1.00 44.34 H new ATOM 0 HG12 VAL A 49 0.720 -4.620 -8.856 1.00 44.34 H new ATOM 0 HG13 VAL A 49 2.040 -4.407 -10.030 1.00 44.34 H new ATOM 0 HG21 VAL A 49 0.324 -2.924 -12.135 1.00 14.14 H new ATOM 0 HG22 VAL A 49 1.431 -4.253 -12.552 1.00 14.14 H new ATOM 0 HG23 VAL A 49 -0.286 -4.348 -13.011 1.00 14.14 H new ATOM 763 N GLU A 50 0.928 -7.495 -9.097 1.00 23.03 N ATOM 764 CA GLU A 50 0.796 -8.069 -7.758 1.00 44.04 C ATOM 765 C GLU A 50 0.810 -6.949 -6.707 1.00 21.45 C ATOM 766 O GLU A 50 1.869 -6.479 -6.297 1.00 30.44 O ATOM 767 CB GLU A 50 1.933 -9.068 -7.493 1.00 70.41 C ATOM 768 CG GLU A 50 1.999 -10.212 -8.502 1.00 52.14 C ATOM 769 CD GLU A 50 3.171 -11.157 -8.259 1.00 51.41 C ATOM 770 OE1 GLU A 50 3.053 -12.056 -7.398 1.00 54.05 O ATOM 771 OE2 GLU A 50 4.213 -11.013 -8.937 1.00 31.31 O ATOM 0 H GLU A 50 1.854 -7.604 -9.511 1.00 23.03 H new ATOM 0 HA GLU A 50 -0.153 -8.602 -7.692 1.00 44.04 H new ATOM 0 HB2 GLU A 50 2.883 -8.533 -7.502 1.00 70.41 H new ATOM 0 HB3 GLU A 50 1.812 -9.485 -6.493 1.00 70.41 H new ATOM 0 HG2 GLU A 50 1.069 -10.779 -8.461 1.00 52.14 H new ATOM 0 HG3 GLU A 50 2.076 -9.798 -9.507 1.00 52.14 H new ATOM 778 N PHE A 51 -0.376 -6.520 -6.289 1.00 5.24 N ATOM 779 CA PHE A 51 -0.526 -5.363 -5.394 1.00 22.15 C ATOM 780 C PHE A 51 -0.884 -5.816 -3.965 1.00 53.11 C ATOM 781 O PHE A 51 -2.003 -6.256 -3.706 1.00 23.12 O ATOM 782 CB PHE A 51 -1.626 -4.446 -5.962 1.00 13.01 C ATOM 783 CG PHE A 51 -1.610 -3.008 -5.480 1.00 50.21 C ATOM 784 CD1 PHE A 51 -1.051 -2.644 -4.260 1.00 43.11 C ATOM 785 CD2 PHE A 51 -2.178 -2.015 -6.267 1.00 65.43 C ATOM 786 CE1 PHE A 51 -1.062 -1.323 -3.843 1.00 34.31 C ATOM 787 CE2 PHE A 51 -2.192 -0.700 -5.854 1.00 41.42 C ATOM 788 CZ PHE A 51 -1.636 -0.352 -4.643 1.00 22.13 C ATOM 0 H PHE A 51 -1.259 -6.956 -6.555 1.00 5.24 H new ATOM 0 HA PHE A 51 0.418 -4.820 -5.338 1.00 22.15 H new ATOM 0 HB2 PHE A 51 -1.544 -4.445 -7.049 1.00 13.01 H new ATOM 0 HB3 PHE A 51 -2.595 -4.880 -5.716 1.00 13.01 H new ATOM 0 HD1 PHE A 51 -0.603 -3.399 -3.631 1.00 43.11 H new ATOM 0 HD2 PHE A 51 -2.616 -2.277 -7.219 1.00 65.43 H new ATOM 0 HE1 PHE A 51 -0.623 -1.052 -2.894 1.00 34.31 H new ATOM 0 HE2 PHE A 51 -2.639 0.058 -6.480 1.00 41.42 H new ATOM 0 HZ PHE A 51 -1.648 0.678 -4.319 1.00 22.13 H new ATOM 798 N ALA A 52 0.072 -5.702 -3.045 1.00 34.23 N ATOM 799 CA ALA A 52 -0.125 -6.136 -1.653 1.00 63.14 C ATOM 800 C ALA A 52 -0.121 -4.951 -0.673 1.00 32.31 C ATOM 801 O ALA A 52 0.584 -3.962 -0.880 1.00 71.11 O ATOM 802 CB ALA A 52 0.950 -7.149 -1.265 1.00 32.53 C ATOM 0 H ALA A 52 0.995 -5.312 -3.234 1.00 34.23 H new ATOM 0 HA ALA A 52 -1.106 -6.606 -1.589 1.00 63.14 H new ATOM 0 HB1 ALA A 52 0.797 -7.465 -0.233 1.00 32.53 H new ATOM 0 HB2 ALA A 52 0.888 -8.016 -1.923 1.00 32.53 H new ATOM 0 HB3 ALA A 52 1.934 -6.690 -1.362 1.00 32.53 H new ATOM 808 N VAL A 53 -0.906 -5.062 0.401 1.00 51.01 N ATOM 809 CA VAL A 53 -0.995 -4.005 1.423 1.00 41.44 C ATOM 810 C VAL A 53 -0.774 -4.575 2.837 1.00 41.45 C ATOM 811 O VAL A 53 -1.315 -5.624 3.188 1.00 62.34 O ATOM 812 CB VAL A 53 -2.369 -3.278 1.375 1.00 3.45 C ATOM 813 CG1 VAL A 53 -2.444 -2.177 2.435 1.00 20.43 C ATOM 814 CG2 VAL A 53 -2.633 -2.706 -0.018 1.00 50.44 C ATOM 0 H VAL A 53 -1.493 -5.875 0.590 1.00 51.01 H new ATOM 0 HA VAL A 53 -0.207 -3.286 1.199 1.00 41.44 H new ATOM 0 HB VAL A 53 -3.144 -4.012 1.595 1.00 3.45 H new ATOM 0 HG11 VAL A 53 -3.415 -1.684 2.380 1.00 20.43 H new ATOM 0 HG12 VAL A 53 -2.315 -2.615 3.425 1.00 20.43 H new ATOM 0 HG13 VAL A 53 -1.656 -1.446 2.257 1.00 20.43 H new ATOM 0 HG21 VAL A 53 -3.600 -2.202 -0.027 1.00 50.44 H new ATOM 0 HG22 VAL A 53 -1.849 -1.992 -0.273 1.00 50.44 H new ATOM 0 HG23 VAL A 53 -2.638 -3.515 -0.748 1.00 50.44 H new ATOM 824 N VAL A 54 0.025 -3.876 3.644 1.00 13.41 N ATOM 825 CA VAL A 54 0.327 -4.305 5.017 1.00 72.22 C ATOM 826 C VAL A 54 0.075 -3.171 6.023 1.00 22.34 C ATOM 827 O VAL A 54 0.475 -2.028 5.796 1.00 65.10 O ATOM 828 CB VAL A 54 1.800 -4.773 5.150 1.00 14.13 C ATOM 829 CG1 VAL A 54 2.108 -5.223 6.579 1.00 4.34 C ATOM 830 CG2 VAL A 54 2.102 -5.890 4.153 1.00 41.10 C ATOM 0 H VAL A 54 0.479 -3.004 3.371 1.00 13.41 H new ATOM 0 HA VAL A 54 -0.338 -5.140 5.239 1.00 72.22 H new ATOM 0 HB VAL A 54 2.445 -3.925 4.921 1.00 14.13 H new ATOM 0 HG11 VAL A 54 3.147 -5.546 6.643 1.00 4.34 H new ATOM 0 HG12 VAL A 54 1.943 -4.393 7.265 1.00 4.34 H new ATOM 0 HG13 VAL A 54 1.454 -6.052 6.848 1.00 4.34 H new ATOM 0 HG21 VAL A 54 3.140 -6.204 4.262 1.00 41.10 H new ATOM 0 HG22 VAL A 54 1.444 -6.737 4.346 1.00 41.10 H new ATOM 0 HG23 VAL A 54 1.938 -5.526 3.139 1.00 41.10 H new ATOM 840 N THR A 55 -0.588 -3.487 7.134 1.00 2.32 N ATOM 841 CA THR A 55 -0.856 -2.493 8.186 1.00 50.13 C ATOM 842 C THR A 55 -0.211 -2.899 9.516 1.00 42.23 C ATOM 843 O THR A 55 -0.493 -3.971 10.050 1.00 35.11 O ATOM 844 CB THR A 55 -2.377 -2.297 8.411 1.00 14.11 C ATOM 845 OG1 THR A 55 -2.986 -3.529 8.839 1.00 50.21 O ATOM 846 CG2 THR A 55 -3.056 -1.814 7.136 1.00 45.20 C ATOM 0 H THR A 55 -0.951 -4.419 7.334 1.00 2.32 H new ATOM 0 HA THR A 55 -0.420 -1.555 7.842 1.00 50.13 H new ATOM 0 HB THR A 55 -2.504 -1.543 9.188 1.00 14.11 H new ATOM 0 HG1 THR A 55 -2.328 -4.067 9.326 1.00 50.21 H new ATOM 0 HG21 THR A 55 -4.123 -1.684 7.319 1.00 45.20 H new ATOM 0 HG22 THR A 55 -2.621 -0.862 6.830 1.00 45.20 H new ATOM 0 HG23 THR A 55 -2.911 -2.550 6.345 1.00 45.20 H new ATOM 854 N LEU A 56 0.646 -2.031 10.057 1.00 33.30 N ATOM 855 CA LEU A 56 1.325 -2.295 11.336 1.00 32.21 C ATOM 856 C LEU A 56 1.108 -1.151 12.337 1.00 13.32 C ATOM 857 O LEU A 56 1.143 0.026 11.967 1.00 4.42 O ATOM 858 CB LEU A 56 2.831 -2.475 11.121 1.00 71.41 C ATOM 859 CG LEU A 56 3.250 -3.626 10.195 1.00 13.13 C ATOM 860 CD1 LEU A 56 4.760 -3.621 9.999 1.00 12.01 C ATOM 861 CD2 LEU A 56 2.792 -4.969 10.752 1.00 14.12 C ATOM 0 H LEU A 56 0.889 -1.136 9.632 1.00 33.30 H new ATOM 0 HA LEU A 56 0.893 -3.210 11.741 1.00 32.21 H new ATOM 0 HB2 LEU A 56 3.233 -1.546 10.717 1.00 71.41 H new ATOM 0 HB3 LEU A 56 3.300 -2.629 12.093 1.00 71.41 H new ATOM 0 HG LEU A 56 2.768 -3.478 9.228 1.00 13.13 H new ATOM 0 HD11 LEU A 56 5.044 -4.442 9.341 1.00 12.01 H new ATOM 0 HD12 LEU A 56 5.066 -2.675 9.552 1.00 12.01 H new ATOM 0 HD13 LEU A 56 5.253 -3.743 10.964 1.00 12.01 H new ATOM 0 HD21 LEU A 56 3.101 -5.767 10.077 1.00 14.12 H new ATOM 0 HD22 LEU A 56 3.241 -5.128 11.733 1.00 14.12 H new ATOM 0 HD23 LEU A 56 1.706 -4.973 10.845 1.00 14.12 H new ATOM 873 N PRO A 57 0.894 -1.475 13.629 1.00 53.13 N ATOM 874 CA PRO A 57 0.758 -0.455 14.678 1.00 74.25 C ATOM 875 C PRO A 57 2.083 0.276 14.962 1.00 70.25 C ATOM 876 O PRO A 57 2.092 1.475 15.236 1.00 65.13 O ATOM 877 CB PRO A 57 0.300 -1.262 15.903 1.00 45.20 C ATOM 878 CG PRO A 57 0.805 -2.643 15.659 1.00 75.14 C ATOM 879 CD PRO A 57 0.755 -2.847 14.167 1.00 1.41 C ATOM 0 HA PRO A 57 0.063 0.335 14.394 1.00 74.25 H new ATOM 0 HB2 PRO A 57 0.709 -0.848 16.825 1.00 45.20 H new ATOM 0 HB3 PRO A 57 -0.785 -1.249 16.002 1.00 45.20 H new ATOM 0 HG2 PRO A 57 1.822 -2.758 16.035 1.00 75.14 H new ATOM 0 HG3 PRO A 57 0.189 -3.380 16.174 1.00 75.14 H new ATOM 0 HD2 PRO A 57 1.560 -3.497 13.823 1.00 1.41 H new ATOM 0 HD3 PRO A 57 -0.182 -3.308 13.856 1.00 1.41 H new ATOM 887 N SER A 58 3.203 -0.446 14.872 1.00 75.42 N ATOM 888 CA SER A 58 4.523 0.136 15.163 1.00 65.44 C ATOM 889 C SER A 58 5.670 -0.695 14.573 1.00 54.14 C ATOM 890 O SER A 58 5.593 -1.919 14.514 1.00 32.34 O ATOM 891 CB SER A 58 4.724 0.280 16.679 1.00 32.50 C ATOM 892 OG SER A 58 4.602 -0.968 17.349 1.00 14.41 O ATOM 0 H SER A 58 3.226 -1.429 14.602 1.00 75.42 H new ATOM 0 HA SER A 58 4.545 1.119 14.692 1.00 65.44 H new ATOM 0 HB2 SER A 58 5.709 0.704 16.876 1.00 32.50 H new ATOM 0 HB3 SER A 58 3.990 0.980 17.078 1.00 32.50 H new ATOM 0 HG SER A 58 3.985 -0.875 18.105 1.00 14.41 H new ATOM 898 N ILE A 59 6.733 -0.013 14.125 1.00 72.03 N ATOM 899 CA ILE A 59 7.956 -0.684 13.641 1.00 52.34 C ATOM 900 C ILE A 59 9.207 -0.206 14.407 1.00 33.31 C ATOM 901 O ILE A 59 10.286 -0.789 14.287 1.00 62.42 O ATOM 902 CB ILE A 59 8.178 -0.465 12.121 1.00 31.10 C ATOM 903 CG1 ILE A 59 8.404 1.024 11.802 1.00 53.32 C ATOM 904 CG2 ILE A 59 6.995 -1.017 11.324 1.00 62.01 C ATOM 905 CD1 ILE A 59 8.659 1.306 10.331 1.00 14.42 C ATOM 0 H ILE A 59 6.774 1.005 14.086 1.00 72.03 H new ATOM 0 HA ILE A 59 7.808 -1.748 13.824 1.00 52.34 H new ATOM 0 HB ILE A 59 9.076 -1.008 11.828 1.00 31.10 H new ATOM 0 HG12 ILE A 59 7.531 1.591 12.125 1.00 53.32 H new ATOM 0 HG13 ILE A 59 9.252 1.386 12.384 1.00 53.32 H new ATOM 0 HG21 ILE A 59 7.166 -0.856 10.260 1.00 62.01 H new ATOM 0 HG22 ILE A 59 6.893 -2.085 11.517 1.00 62.01 H new ATOM 0 HG23 ILE A 59 6.082 -0.505 11.626 1.00 62.01 H new ATOM 0 HD11 ILE A 59 8.809 2.376 10.186 1.00 14.42 H new ATOM 0 HD12 ILE A 59 9.550 0.768 10.006 1.00 14.42 H new ATOM 0 HD13 ILE A 59 7.802 0.977 9.744 1.00 14.42 H new ATOM 917 N GLY A 60 9.050 0.867 15.186 1.00 31.54 N ATOM 918 CA GLY A 60 10.135 1.372 16.026 1.00 23.34 C ATOM 919 C GLY A 60 11.372 1.830 15.252 1.00 3.33 C ATOM 920 O GLY A 60 11.326 2.807 14.502 1.00 74.31 O ATOM 0 H GLY A 60 8.183 1.401 15.252 1.00 31.54 H new ATOM 0 HA2 GLY A 60 9.761 2.208 16.618 1.00 23.34 H new ATOM 0 HA3 GLY A 60 10.429 0.591 16.727 1.00 23.34 H new ATOM 924 N ASP A 61 12.479 1.111 15.432 1.00 11.32 N ATOM 925 CA ASP A 61 13.774 1.494 14.854 1.00 62.33 C ATOM 926 C ASP A 61 13.984 0.887 13.447 1.00 53.01 C ATOM 927 O ASP A 61 15.083 0.933 12.893 1.00 33.21 O ATOM 928 CB ASP A 61 14.891 1.053 15.818 1.00 14.11 C ATOM 929 CG ASP A 61 16.267 1.577 15.434 1.00 62.34 C ATOM 930 OD1 ASP A 61 16.514 2.788 15.611 1.00 1.43 O ATOM 931 OD2 ASP A 61 17.110 0.775 14.967 1.00 23.52 O ATOM 0 H ASP A 61 12.508 0.251 15.979 1.00 11.32 H new ATOM 0 HA ASP A 61 13.798 2.576 14.728 1.00 62.33 H new ATOM 0 HB2 ASP A 61 14.648 1.396 16.824 1.00 14.11 H new ATOM 0 HB3 ASP A 61 14.922 -0.036 15.851 1.00 14.11 H new ATOM 936 N ALA A 62 12.924 0.329 12.864 1.00 62.31 N ATOM 937 CA ALA A 62 13.003 -0.271 11.524 1.00 21.14 C ATOM 938 C ALA A 62 12.809 0.780 10.411 1.00 30.50 C ATOM 939 O ALA A 62 11.762 1.421 10.334 1.00 63.41 O ATOM 940 CB ALA A 62 11.965 -1.381 11.387 1.00 1.03 C ATOM 0 H ALA A 62 12.000 0.278 13.294 1.00 62.31 H new ATOM 0 HA ALA A 62 14.002 -0.691 11.407 1.00 21.14 H new ATOM 0 HB1 ALA A 62 12.031 -1.820 10.391 1.00 1.03 H new ATOM 0 HB2 ALA A 62 12.154 -2.150 12.136 1.00 1.03 H new ATOM 0 HB3 ALA A 62 10.968 -0.967 11.536 1.00 1.03 H new ATOM 946 N PRO A 63 13.821 0.976 9.536 1.00 24.52 N ATOM 947 CA PRO A 63 13.716 1.907 8.394 1.00 71.34 C ATOM 948 C PRO A 63 12.626 1.481 7.388 1.00 3.01 C ATOM 949 O PRO A 63 12.627 0.350 6.897 1.00 20.11 O ATOM 950 CB PRO A 63 15.115 1.855 7.754 1.00 3.12 C ATOM 951 CG PRO A 63 15.712 0.571 8.223 1.00 23.51 C ATOM 952 CD PRO A 63 15.145 0.325 9.595 1.00 24.23 C ATOM 0 HA PRO A 63 13.424 2.909 8.708 1.00 71.34 H new ATOM 0 HB2 PRO A 63 15.052 1.886 6.666 1.00 3.12 H new ATOM 0 HB3 PRO A 63 15.721 2.707 8.062 1.00 3.12 H new ATOM 0 HG2 PRO A 63 15.462 -0.246 7.546 1.00 23.51 H new ATOM 0 HG3 PRO A 63 16.800 0.636 8.256 1.00 23.51 H new ATOM 0 HD2 PRO A 63 15.060 -0.740 9.810 1.00 24.23 H new ATOM 0 HD3 PRO A 63 15.772 0.759 10.374 1.00 24.23 H new ATOM 960 N LEU A 64 11.713 2.403 7.076 1.00 41.43 N ATOM 961 CA LEU A 64 10.517 2.097 6.269 1.00 22.35 C ATOM 962 C LEU A 64 10.859 1.480 4.897 1.00 11.31 C ATOM 963 O LEU A 64 10.250 0.491 4.484 1.00 63.22 O ATOM 964 CB LEU A 64 9.678 3.374 6.086 1.00 70.30 C ATOM 965 CG LEU A 64 8.340 3.204 5.340 1.00 23.40 C ATOM 966 CD1 LEU A 64 7.464 2.154 6.020 1.00 25.54 C ATOM 967 CD2 LEU A 64 7.608 4.546 5.250 1.00 51.10 C ATOM 0 H LEU A 64 11.775 3.378 7.370 1.00 41.43 H new ATOM 0 HA LEU A 64 9.943 1.346 6.812 1.00 22.35 H new ATOM 0 HB2 LEU A 64 9.471 3.793 7.071 1.00 70.30 H new ATOM 0 HB3 LEU A 64 10.280 4.106 5.548 1.00 70.30 H new ATOM 0 HG LEU A 64 8.553 2.857 4.329 1.00 23.40 H new ATOM 0 HD11 LEU A 64 6.526 2.054 5.474 1.00 25.54 H new ATOM 0 HD12 LEU A 64 7.984 1.196 6.028 1.00 25.54 H new ATOM 0 HD13 LEU A 64 7.256 2.462 7.045 1.00 25.54 H new ATOM 0 HD21 LEU A 64 6.665 4.411 4.721 1.00 51.10 H new ATOM 0 HD22 LEU A 64 7.410 4.921 6.254 1.00 51.10 H new ATOM 0 HD23 LEU A 64 8.227 5.263 4.711 1.00 51.10 H new ATOM 979 N GLU A 65 11.834 2.058 4.200 1.00 33.43 N ATOM 980 CA GLU A 65 12.213 1.581 2.856 1.00 10.11 C ATOM 981 C GLU A 65 12.912 0.212 2.897 1.00 12.50 C ATOM 982 O GLU A 65 12.732 -0.613 1.999 1.00 73.52 O ATOM 983 CB GLU A 65 13.092 2.606 2.109 1.00 51.12 C ATOM 984 CG GLU A 65 14.303 3.126 2.881 1.00 65.33 C ATOM 985 CD GLU A 65 13.924 4.109 3.978 1.00 24.22 C ATOM 986 OE1 GLU A 65 13.406 5.197 3.654 1.00 64.25 O ATOM 987 OE2 GLU A 65 14.104 3.781 5.168 1.00 62.25 O ATOM 0 H GLU A 65 12.378 2.853 4.534 1.00 33.43 H new ATOM 0 HA GLU A 65 11.280 1.463 2.305 1.00 10.11 H new ATOM 0 HB2 GLU A 65 13.443 2.150 1.183 1.00 51.12 H new ATOM 0 HB3 GLU A 65 12.469 3.456 1.830 1.00 51.12 H new ATOM 0 HG2 GLU A 65 14.836 2.284 3.322 1.00 65.33 H new ATOM 0 HG3 GLU A 65 14.990 3.610 2.187 1.00 65.33 H new ATOM 994 N ASP A 66 13.718 -0.031 3.925 1.00 12.33 N ATOM 995 CA ASP A 66 14.344 -1.344 4.098 1.00 11.54 C ATOM 996 C ASP A 66 13.310 -2.393 4.535 1.00 62.21 C ATOM 997 O ASP A 66 13.378 -3.555 4.124 1.00 12.21 O ATOM 998 CB ASP A 66 15.493 -1.265 5.103 1.00 70.04 C ATOM 999 CG ASP A 66 16.707 -0.556 4.526 1.00 75.33 C ATOM 1000 OD1 ASP A 66 17.507 -1.218 3.829 1.00 2.45 O ATOM 1001 OD2 ASP A 66 16.873 0.657 4.767 1.00 4.03 O ATOM 0 H ASP A 66 13.953 0.652 4.645 1.00 12.33 H new ATOM 0 HA ASP A 66 14.751 -1.654 3.136 1.00 11.54 H new ATOM 0 HB2 ASP A 66 15.157 -0.739 5.997 1.00 70.04 H new ATOM 0 HB3 ASP A 66 15.774 -2.272 5.412 1.00 70.04 H new ATOM 1006 N PHE A 67 12.348 -1.977 5.357 1.00 25.42 N ATOM 1007 CA PHE A 67 11.258 -2.857 5.782 1.00 1.42 C ATOM 1008 C PHE A 67 10.459 -3.373 4.576 1.00 14.02 C ATOM 1009 O PHE A 67 10.318 -4.585 4.382 1.00 23.43 O ATOM 1010 CB PHE A 67 10.320 -2.120 6.751 1.00 34.11 C ATOM 1011 CG PHE A 67 9.109 -2.936 7.132 1.00 52.10 C ATOM 1012 CD1 PHE A 67 7.943 -2.867 6.380 1.00 54.12 C ATOM 1013 CD2 PHE A 67 9.146 -3.790 8.222 1.00 23.13 C ATOM 1014 CE1 PHE A 67 6.845 -3.633 6.708 1.00 42.12 C ATOM 1015 CE2 PHE A 67 8.047 -4.554 8.555 1.00 0.04 C ATOM 1016 CZ PHE A 67 6.898 -4.478 7.794 1.00 53.22 C ATOM 0 H PHE A 67 12.300 -1.034 5.743 1.00 25.42 H new ATOM 0 HA PHE A 67 11.701 -3.712 6.293 1.00 1.42 H new ATOM 0 HB2 PHE A 67 10.872 -1.856 7.653 1.00 34.11 H new ATOM 0 HB3 PHE A 67 9.993 -1.187 6.293 1.00 34.11 H new ATOM 0 HD1 PHE A 67 7.896 -2.205 5.528 1.00 54.12 H new ATOM 0 HD2 PHE A 67 10.045 -3.858 8.817 1.00 23.13 H new ATOM 0 HE1 PHE A 67 5.945 -3.571 6.114 1.00 42.12 H new ATOM 0 HE2 PHE A 67 8.085 -5.211 9.411 1.00 0.04 H new ATOM 0 HZ PHE A 67 6.040 -5.082 8.050 1.00 53.22 H new ATOM 1026 N THR A 68 9.936 -2.441 3.775 1.00 53.22 N ATOM 1027 CA THR A 68 9.139 -2.786 2.587 1.00 12.21 C ATOM 1028 C THR A 68 9.881 -3.768 1.674 1.00 62.35 C ATOM 1029 O THR A 68 9.304 -4.747 1.197 1.00 54.04 O ATOM 1030 CB THR A 68 8.767 -1.527 1.764 1.00 53.34 C ATOM 1031 OG1 THR A 68 9.952 -0.797 1.412 1.00 61.21 O ATOM 1032 CG2 THR A 68 7.827 -0.616 2.546 1.00 25.35 C ATOM 0 H THR A 68 10.049 -1.438 3.925 1.00 53.22 H new ATOM 0 HA THR A 68 8.228 -3.257 2.957 1.00 12.21 H new ATOM 0 HB THR A 68 8.258 -1.859 0.859 1.00 53.34 H new ATOM 0 HG1 THR A 68 10.033 -0.756 0.436 1.00 61.21 H new ATOM 0 HG21 THR A 68 7.583 0.259 1.943 1.00 25.35 H new ATOM 0 HG22 THR A 68 6.912 -1.157 2.786 1.00 25.35 H new ATOM 0 HG23 THR A 68 8.313 -0.297 3.468 1.00 25.35 H new ATOM 1040 N LEU A 69 11.164 -3.506 1.445 1.00 10.41 N ATOM 1041 CA LEU A 69 11.991 -4.376 0.607 1.00 4.44 C ATOM 1042 C LEU A 69 12.098 -5.797 1.195 1.00 34.24 C ATOM 1043 O LEU A 69 11.709 -6.771 0.552 1.00 51.23 O ATOM 1044 CB LEU A 69 13.396 -3.771 0.451 1.00 10.41 C ATOM 1045 CG LEU A 69 14.373 -4.577 -0.426 1.00 3.43 C ATOM 1046 CD1 LEU A 69 13.886 -4.638 -1.875 1.00 51.41 C ATOM 1047 CD2 LEU A 69 15.779 -3.985 -0.353 1.00 13.13 C ATOM 0 H LEU A 69 11.656 -2.698 1.827 1.00 10.41 H new ATOM 0 HA LEU A 69 11.512 -4.452 -0.369 1.00 4.44 H new ATOM 0 HB2 LEU A 69 13.297 -2.771 0.029 1.00 10.41 H new ATOM 0 HB3 LEU A 69 13.835 -3.656 1.442 1.00 10.41 H new ATOM 0 HG LEU A 69 14.410 -5.596 -0.040 1.00 3.43 H new ATOM 0 HD11 LEU A 69 14.594 -5.213 -2.473 1.00 51.41 H new ATOM 0 HD12 LEU A 69 12.908 -5.118 -1.910 1.00 51.41 H new ATOM 0 HD13 LEU A 69 13.809 -3.627 -2.276 1.00 51.41 H new ATOM 0 HD21 LEU A 69 16.453 -4.569 -0.980 1.00 13.13 H new ATOM 0 HD22 LEU A 69 15.758 -2.954 -0.706 1.00 13.13 H new ATOM 0 HD23 LEU A 69 16.131 -4.009 0.678 1.00 13.13 H new ATOM 1059 N LYS A 70 12.575 -5.903 2.437 1.00 42.43 N ATOM 1060 CA LYS A 70 12.816 -7.212 3.068 1.00 65.41 C ATOM 1061 C LYS A 70 11.524 -8.040 3.199 1.00 24.41 C ATOM 1062 O LYS A 70 11.544 -9.268 3.076 1.00 60.55 O ATOM 1063 CB LYS A 70 13.470 -7.032 4.447 1.00 2.31 C ATOM 1064 CG LYS A 70 14.865 -6.408 4.392 1.00 12.52 C ATOM 1065 CD LYS A 70 15.491 -6.269 5.780 1.00 63.44 C ATOM 1066 CE LYS A 70 15.640 -7.617 6.477 1.00 23.43 C ATOM 1067 NZ LYS A 70 16.316 -7.492 7.794 1.00 11.01 N ATOM 0 H LYS A 70 12.803 -5.104 3.028 1.00 42.43 H new ATOM 0 HA LYS A 70 13.495 -7.763 2.416 1.00 65.41 H new ATOM 0 HB2 LYS A 70 12.826 -6.406 5.065 1.00 2.31 H new ATOM 0 HB3 LYS A 70 13.536 -8.003 4.937 1.00 2.31 H new ATOM 0 HG2 LYS A 70 15.511 -7.021 3.764 1.00 12.52 H new ATOM 0 HG3 LYS A 70 14.804 -5.426 3.923 1.00 12.52 H new ATOM 0 HD2 LYS A 70 16.469 -5.797 5.691 1.00 63.44 H new ATOM 0 HD3 LYS A 70 14.874 -5.611 6.392 1.00 63.44 H new ATOM 0 HE2 LYS A 70 14.656 -8.064 6.616 1.00 23.43 H new ATOM 0 HE3 LYS A 70 16.210 -8.293 5.840 1.00 23.43 H new ATOM 0 HZ1 LYS A 70 16.397 -8.431 8.233 1.00 11.01 H new ATOM 0 HZ2 LYS A 70 17.266 -7.090 7.660 1.00 11.01 H new ATOM 0 HZ3 LYS A 70 15.760 -6.867 8.412 1.00 11.01 H new ATOM 1081 N LEU A 71 10.403 -7.367 3.445 1.00 51.14 N ATOM 1082 CA LEU A 71 9.104 -8.040 3.544 1.00 35.54 C ATOM 1083 C LEU A 71 8.644 -8.561 2.171 1.00 4.13 C ATOM 1084 O LEU A 71 8.253 -9.720 2.027 1.00 72.20 O ATOM 1085 CB LEU A 71 8.052 -7.083 4.126 1.00 31.02 C ATOM 1086 CG LEU A 71 6.649 -7.684 4.332 1.00 23.35 C ATOM 1087 CD1 LEU A 71 6.694 -8.844 5.329 1.00 22.33 C ATOM 1088 CD2 LEU A 71 5.667 -6.608 4.794 1.00 43.13 C ATOM 0 H LEU A 71 10.364 -6.357 3.580 1.00 51.14 H new ATOM 0 HA LEU A 71 9.216 -8.894 4.212 1.00 35.54 H new ATOM 0 HB2 LEU A 71 8.414 -6.713 5.085 1.00 31.02 H new ATOM 0 HB3 LEU A 71 7.965 -6.221 3.465 1.00 31.02 H new ATOM 0 HG LEU A 71 6.302 -8.076 3.376 1.00 23.35 H new ATOM 0 HD11 LEU A 71 5.692 -9.252 5.458 1.00 22.33 H new ATOM 0 HD12 LEU A 71 7.357 -9.623 4.952 1.00 22.33 H new ATOM 0 HD13 LEU A 71 7.066 -8.485 6.289 1.00 22.33 H new ATOM 0 HD21 LEU A 71 4.681 -7.051 4.934 1.00 43.13 H new ATOM 0 HD22 LEU A 71 6.011 -6.182 5.737 1.00 43.13 H new ATOM 0 HD23 LEU A 71 5.608 -5.822 4.041 1.00 43.13 H new ATOM 1100 N ALA A 72 8.714 -7.700 1.156 1.00 4.11 N ATOM 1101 CA ALA A 72 8.298 -8.068 -0.202 1.00 5.23 C ATOM 1102 C ALA A 72 9.197 -9.163 -0.806 1.00 54.52 C ATOM 1103 O ALA A 72 8.736 -9.984 -1.605 1.00 11.02 O ATOM 1104 CB ALA A 72 8.290 -6.834 -1.097 1.00 11.11 C ATOM 0 H ALA A 72 9.054 -6.743 1.246 1.00 4.11 H new ATOM 0 HA ALA A 72 7.289 -8.477 -0.139 1.00 5.23 H new ATOM 0 HB1 ALA A 72 7.980 -7.116 -2.103 1.00 11.11 H new ATOM 0 HB2 ALA A 72 7.593 -6.098 -0.696 1.00 11.11 H new ATOM 0 HB3 ALA A 72 9.291 -6.404 -1.133 1.00 11.11 H new ATOM 1110 N ARG A 73 10.478 -9.171 -0.428 1.00 61.53 N ATOM 1111 CA ARG A 73 11.428 -10.172 -0.934 1.00 50.22 C ATOM 1112 C ARG A 73 11.032 -11.597 -0.529 1.00 74.54 C ATOM 1113 O ARG A 73 10.985 -12.500 -1.369 1.00 63.55 O ATOM 1114 CB ARG A 73 12.847 -9.872 -0.442 1.00 63.10 C ATOM 1115 CG ARG A 73 13.427 -8.578 -0.996 1.00 34.41 C ATOM 1116 CD ARG A 73 14.859 -8.357 -0.534 1.00 12.40 C ATOM 1117 NE ARG A 73 15.751 -9.397 -1.043 1.00 52.35 N ATOM 1118 CZ ARG A 73 16.995 -9.199 -1.369 1.00 22.34 C ATOM 1119 NH1 ARG A 73 17.546 -8.046 -1.183 1.00 34.31 N ATOM 1120 NH2 ARG A 73 17.688 -10.171 -1.858 1.00 75.43 N ATOM 0 H ARG A 73 10.883 -8.499 0.224 1.00 61.53 H new ATOM 0 HA ARG A 73 11.402 -10.111 -2.022 1.00 50.22 H new ATOM 0 HB2 ARG A 73 12.841 -9.820 0.647 1.00 63.10 H new ATOM 0 HB3 ARG A 73 13.500 -10.700 -0.718 1.00 63.10 H new ATOM 0 HG2 ARG A 73 13.396 -8.603 -2.085 1.00 34.41 H new ATOM 0 HG3 ARG A 73 12.809 -7.738 -0.679 1.00 34.41 H new ATOM 0 HD2 ARG A 73 15.206 -7.381 -0.873 1.00 12.40 H new ATOM 0 HD3 ARG A 73 14.894 -8.347 0.555 1.00 12.40 H new ATOM 0 HE ARG A 73 15.374 -10.339 -1.150 1.00 52.35 H new ATOM 0 HH11 ARG A 73 17.005 -7.282 -0.778 1.00 34.31 H new ATOM 0 HH12 ARG A 73 18.522 -7.899 -1.441 1.00 34.31 H new ATOM 0 HH21 ARG A 73 17.260 -11.088 -1.987 1.00 75.43 H new ATOM 0 HH22 ARG A 73 18.664 -10.023 -2.116 1.00 75.43 H new ATOM 1134 N GLN A 74 10.757 -11.799 0.756 1.00 71.13 N ATOM 1135 CA GLN A 74 10.348 -13.117 1.252 1.00 43.05 C ATOM 1136 C GLN A 74 8.959 -13.504 0.715 1.00 24.12 C ATOM 1137 O GLN A 74 8.678 -14.679 0.474 1.00 35.45 O ATOM 1138 CB GLN A 74 10.354 -13.138 2.786 1.00 20.13 C ATOM 1139 CG GLN A 74 9.323 -12.213 3.417 1.00 33.01 C ATOM 1140 CD GLN A 74 9.349 -12.252 4.933 1.00 44.35 C ATOM 1141 OE1 GLN A 74 8.679 -13.067 5.555 1.00 72.22 O ATOM 1142 NE2 GLN A 74 10.109 -11.368 5.539 1.00 31.35 N ATOM 0 H GLN A 74 10.808 -11.074 1.472 1.00 71.13 H new ATOM 0 HA GLN A 74 11.067 -13.852 0.889 1.00 43.05 H new ATOM 0 HB2 GLN A 74 10.171 -14.157 3.127 1.00 20.13 H new ATOM 0 HB3 GLN A 74 11.346 -12.857 3.140 1.00 20.13 H new ATOM 0 HG2 GLN A 74 9.504 -11.192 3.081 1.00 33.01 H new ATOM 0 HG3 GLN A 74 8.329 -12.492 3.068 1.00 33.01 H new ATOM 0 HE21 GLN A 74 10.655 -10.703 4.991 1.00 31.35 H new ATOM 0 HE22 GLN A 74 10.153 -11.347 6.558 1.00 31.35 H new ATOM 1151 N TRP A 75 8.093 -12.504 0.524 1.00 22.42 N ATOM 1152 CA TRP A 75 6.769 -12.730 -0.077 1.00 12.30 C ATOM 1153 C TRP A 75 6.873 -13.044 -1.580 1.00 64.52 C ATOM 1154 O TRP A 75 5.923 -13.537 -2.184 1.00 44.53 O ATOM 1155 CB TRP A 75 5.867 -11.500 0.121 1.00 31.40 C ATOM 1156 CG TRP A 75 5.395 -11.295 1.531 1.00 54.24 C ATOM 1157 CD1 TRP A 75 5.961 -11.779 2.676 1.00 64.52 C ATOM 1158 CD2 TRP A 75 4.251 -10.538 1.940 1.00 2.14 C ATOM 1159 NE1 TRP A 75 5.240 -11.369 3.768 1.00 41.33 N ATOM 1160 CE2 TRP A 75 4.185 -10.607 3.343 1.00 55.22 C ATOM 1161 CE3 TRP A 75 3.274 -9.809 1.252 1.00 2.44 C ATOM 1162 CZ2 TRP A 75 3.183 -9.972 4.070 1.00 74.31 C ATOM 1163 CZ3 TRP A 75 2.282 -9.180 1.978 1.00 1.21 C ATOM 1164 CH2 TRP A 75 2.242 -9.266 3.372 1.00 25.11 C ATOM 0 H TRP A 75 8.281 -11.533 0.775 1.00 22.42 H new ATOM 0 HA TRP A 75 6.331 -13.591 0.428 1.00 12.30 H new ATOM 0 HB2 TRP A 75 6.410 -10.611 -0.200 1.00 31.40 H new ATOM 0 HB3 TRP A 75 4.998 -11.594 -0.530 1.00 31.40 H new ATOM 0 HD1 TRP A 75 6.847 -12.395 2.716 1.00 64.52 H new ATOM 0 HE1 TRP A 75 5.455 -11.595 4.739 1.00 41.33 H new ATOM 0 HE3 TRP A 75 3.296 -9.740 0.174 1.00 2.44 H new ATOM 0 HZ2 TRP A 75 3.149 -10.034 5.148 1.00 74.31 H new ATOM 0 HZ3 TRP A 75 1.524 -8.612 1.459 1.00 1.21 H new ATOM 0 HH2 TRP A 75 1.451 -8.764 3.910 1.00 25.11 H new ATOM 1175 N GLY A 76 8.029 -12.753 -2.178 1.00 3.23 N ATOM 1176 CA GLY A 76 8.218 -12.970 -3.614 1.00 42.11 C ATOM 1177 C GLY A 76 7.754 -11.783 -4.457 1.00 23.44 C ATOM 1178 O GLY A 76 8.406 -11.416 -5.438 1.00 72.21 O ATOM 0 H GLY A 76 8.842 -12.370 -1.696 1.00 3.23 H new ATOM 0 HA2 GLY A 76 9.273 -13.161 -3.813 1.00 42.11 H new ATOM 0 HA3 GLY A 76 7.670 -13.862 -3.918 1.00 42.11 H new ATOM 1182 N VAL A 77 6.633 -11.172 -4.057 1.00 5.55 N ATOM 1183 CA VAL A 77 6.055 -10.015 -4.766 1.00 34.41 C ATOM 1184 C VAL A 77 7.088 -8.892 -4.985 1.00 45.42 C ATOM 1185 O VAL A 77 6.947 -8.072 -5.895 1.00 2.10 O ATOM 1186 CB VAL A 77 4.846 -9.429 -3.996 1.00 53.53 C ATOM 1187 CG1 VAL A 77 4.122 -8.381 -4.839 1.00 30.23 C ATOM 1188 CG2 VAL A 77 3.894 -10.539 -3.551 1.00 23.13 C ATOM 0 H VAL A 77 6.100 -11.461 -3.237 1.00 5.55 H new ATOM 0 HA VAL A 77 5.729 -10.389 -5.736 1.00 34.41 H new ATOM 0 HB VAL A 77 5.220 -8.934 -3.100 1.00 53.53 H new ATOM 0 HG11 VAL A 77 3.276 -7.983 -4.278 1.00 30.23 H new ATOM 0 HG12 VAL A 77 4.810 -7.571 -5.082 1.00 30.23 H new ATOM 0 HG13 VAL A 77 3.763 -8.840 -5.760 1.00 30.23 H new ATOM 0 HG21 VAL A 77 3.053 -10.103 -3.012 1.00 23.13 H new ATOM 0 HG22 VAL A 77 3.526 -11.075 -4.426 1.00 23.13 H new ATOM 0 HG23 VAL A 77 4.423 -11.232 -2.897 1.00 23.13 H new ATOM 1198 N GLY A 78 8.120 -8.859 -4.149 1.00 32.30 N ATOM 1199 CA GLY A 78 9.191 -7.885 -4.313 1.00 70.31 C ATOM 1200 C GLY A 78 10.572 -8.495 -4.112 1.00 42.41 C ATOM 1201 O GLY A 78 11.441 -7.882 -3.492 1.00 41.44 O ATOM 0 H GLY A 78 8.237 -9.491 -3.357 1.00 32.30 H new ATOM 0 HA2 GLY A 78 9.132 -7.450 -5.310 1.00 70.31 H new ATOM 0 HA3 GLY A 78 9.050 -7.072 -3.601 1.00 70.31 H new ATOM 1205 N ASN A 79 10.775 -9.713 -4.631 1.00 54.12 N ATOM 1206 CA ASN A 79 12.074 -10.397 -4.526 1.00 42.20 C ATOM 1207 C ASN A 79 13.174 -9.579 -5.225 1.00 1.00 C ATOM 1208 O ASN A 79 13.463 -9.789 -6.403 1.00 13.33 O ATOM 1209 CB ASN A 79 11.980 -11.812 -5.125 1.00 24.21 C ATOM 1210 CG ASN A 79 13.187 -12.677 -4.796 1.00 4.10 C ATOM 1211 OD1 ASN A 79 14.297 -12.191 -4.627 1.00 14.42 O ATOM 1212 ND2 ASN A 79 12.978 -13.972 -4.696 1.00 52.31 N ATOM 0 H ASN A 79 10.060 -10.245 -5.127 1.00 54.12 H new ATOM 0 HA ASN A 79 12.338 -10.486 -3.472 1.00 42.20 H new ATOM 0 HB2 ASN A 79 11.079 -12.299 -4.753 1.00 24.21 H new ATOM 0 HB3 ASN A 79 11.878 -11.736 -6.208 1.00 24.21 H new ATOM 0 HD21 ASN A 79 13.752 -14.598 -4.472 1.00 52.31 H new ATOM 0 HD22 ASN A 79 12.042 -14.350 -4.842 1.00 52.31 H new ATOM 1219 N GLU A 80 13.753 -8.631 -4.478 1.00 2.52 N ATOM 1220 CA GLU A 80 14.709 -7.652 -5.015 1.00 33.31 C ATOM 1221 C GLU A 80 14.227 -7.105 -6.368 1.00 72.35 C ATOM 1222 O GLU A 80 14.780 -7.415 -7.424 1.00 64.04 O ATOM 1223 CB GLU A 80 16.116 -8.248 -5.136 1.00 22.25 C ATOM 1224 CG GLU A 80 17.209 -7.210 -5.389 1.00 42.44 C ATOM 1225 CD GLU A 80 17.401 -6.246 -4.221 1.00 73.20 C ATOM 1226 OE1 GLU A 80 16.729 -5.191 -4.194 1.00 42.34 O ATOM 1227 OE2 GLU A 80 18.232 -6.534 -3.330 1.00 42.50 O ATOM 0 H GLU A 80 13.572 -8.520 -3.480 1.00 2.52 H new ATOM 0 HA GLU A 80 14.764 -6.822 -4.310 1.00 33.31 H new ATOM 0 HB2 GLU A 80 16.350 -8.791 -4.220 1.00 22.25 H new ATOM 0 HB3 GLU A 80 16.124 -8.974 -5.949 1.00 22.25 H new ATOM 0 HG2 GLU A 80 18.150 -7.723 -5.587 1.00 42.44 H new ATOM 0 HG3 GLU A 80 16.961 -6.641 -6.285 1.00 42.44 H new ATOM 1234 N LYS A 81 13.164 -6.312 -6.310 1.00 13.43 N ATOM 1235 CA LYS A 81 12.521 -5.751 -7.503 1.00 31.52 C ATOM 1236 C LYS A 81 11.934 -6.845 -8.421 1.00 41.13 C ATOM 1237 O LYS A 81 12.538 -7.260 -9.408 1.00 10.13 O ATOM 1238 CB LYS A 81 13.480 -4.817 -8.268 1.00 24.53 C ATOM 1239 CG LYS A 81 13.681 -3.463 -7.584 1.00 63.34 C ATOM 1240 CD LYS A 81 14.382 -3.590 -6.227 1.00 2.43 C ATOM 1241 CE LYS A 81 13.871 -2.555 -5.225 1.00 12.12 C ATOM 1242 NZ LYS A 81 13.987 -1.162 -5.734 1.00 53.13 N ATOM 0 H LYS A 81 12.719 -6.036 -5.435 1.00 13.43 H new ATOM 0 HA LYS A 81 11.679 -5.150 -7.160 1.00 31.52 H new ATOM 0 HB2 LYS A 81 14.447 -5.309 -8.375 1.00 24.53 H new ATOM 0 HB3 LYS A 81 13.092 -4.654 -9.274 1.00 24.53 H new ATOM 0 HG2 LYS A 81 14.269 -2.815 -8.234 1.00 63.34 H new ATOM 0 HG3 LYS A 81 12.713 -2.982 -7.446 1.00 63.34 H new ATOM 0 HD2 LYS A 81 14.223 -4.592 -5.828 1.00 2.43 H new ATOM 0 HD3 LYS A 81 15.457 -3.467 -6.360 1.00 2.43 H new ATOM 0 HE2 LYS A 81 12.828 -2.766 -4.990 1.00 12.12 H new ATOM 0 HE3 LYS A 81 14.433 -2.646 -4.295 1.00 12.12 H new ATOM 0 HZ1 LYS A 81 13.756 -0.493 -4.972 1.00 53.13 H new ATOM 0 HZ2 LYS A 81 14.959 -0.992 -6.061 1.00 53.13 H new ATOM 0 HZ3 LYS A 81 13.327 -1.026 -6.526 1.00 53.13 H new ATOM 1256 N ASN A 82 10.731 -7.291 -8.065 1.00 42.11 N ATOM 1257 CA ASN A 82 9.982 -8.310 -8.818 1.00 21.45 C ATOM 1258 C ASN A 82 9.256 -7.687 -10.027 1.00 3.24 C ATOM 1259 O ASN A 82 9.027 -6.478 -10.072 1.00 3.24 O ATOM 1260 CB ASN A 82 8.965 -8.946 -7.862 1.00 71.24 C ATOM 1261 CG ASN A 82 8.003 -9.927 -8.514 1.00 0.01 C ATOM 1262 OD1 ASN A 82 8.358 -10.669 -9.421 1.00 33.44 O ATOM 1263 ND2 ASN A 82 6.763 -9.913 -8.060 1.00 44.30 N ATOM 0 H ASN A 82 10.239 -6.955 -7.237 1.00 42.11 H new ATOM 0 HA ASN A 82 10.671 -9.061 -9.204 1.00 21.45 H new ATOM 0 HB2 ASN A 82 9.506 -9.462 -7.069 1.00 71.24 H new ATOM 0 HB3 ASN A 82 8.387 -8.152 -7.389 1.00 71.24 H new ATOM 0 HD21 ASN A 82 6.064 -10.535 -8.467 1.00 44.30 H new ATOM 0 HD22 ASN A 82 6.504 -9.281 -7.303 1.00 44.30 H new ATOM 1270 N ASN A 83 8.884 -8.503 -11.004 1.00 31.35 N ATOM 1271 CA ASN A 83 8.139 -8.002 -12.161 1.00 25.13 C ATOM 1272 C ASN A 83 6.680 -7.645 -11.786 1.00 1.32 C ATOM 1273 O ASN A 83 5.941 -8.462 -11.244 1.00 74.51 O ATOM 1274 CB ASN A 83 8.193 -9.007 -13.328 1.00 74.52 C ATOM 1275 CG ASN A 83 7.970 -10.456 -12.913 1.00 33.12 C ATOM 1276 OD1 ASN A 83 7.271 -10.672 -11.822 1.00 13.33 O flip ATOM 1277 ND2 ASN A 83 8.443 -11.379 -13.567 1.00 10.23 N flip ATOM 0 H ASN A 83 9.081 -9.504 -11.024 1.00 31.35 H new ATOM 0 HA ASN A 83 8.620 -7.082 -12.492 1.00 25.13 H new ATOM 0 HB2 ASN A 83 7.439 -8.732 -14.066 1.00 74.52 H new ATOM 0 HB3 ASN A 83 9.163 -8.926 -13.818 1.00 74.52 H new ATOM 0 HD21 ASN A 83 8.982 -11.183 -14.410 1.00 10.23 H new ATOM 0 HD22 ASN A 83 8.298 -12.343 -13.268 1.00 10.23 H new ATOM 1284 N ASN A 84 6.306 -6.395 -12.060 1.00 12.50 N ATOM 1285 CA ASN A 84 4.955 -5.857 -11.801 1.00 1.01 C ATOM 1286 C ASN A 84 4.429 -6.217 -10.398 1.00 33.32 C ATOM 1287 O ASN A 84 3.255 -6.533 -10.219 1.00 74.25 O ATOM 1288 CB ASN A 84 3.962 -6.269 -12.912 1.00 51.52 C ATOM 1289 CG ASN A 84 3.873 -7.765 -13.134 1.00 61.31 C ATOM 1290 OD1 ASN A 84 2.946 -8.412 -12.471 1.00 65.34 O flip ATOM 1291 ND2 ASN A 84 4.633 -8.336 -13.908 1.00 11.11 N flip ATOM 0 H ASN A 84 6.938 -5.710 -12.475 1.00 12.50 H new ATOM 0 HA ASN A 84 5.042 -4.771 -11.822 1.00 1.01 H new ATOM 0 HB2 ASN A 84 2.972 -5.890 -12.659 1.00 51.52 H new ATOM 0 HB3 ASN A 84 4.258 -5.790 -13.846 1.00 51.52 H new ATOM 0 HD21 ASN A 84 5.344 -7.804 -14.409 1.00 11.11 H new ATOM 0 HD22 ASN A 84 4.554 -9.343 -14.051 1.00 11.11 H new ATOM 1298 N GLY A 85 5.317 -6.134 -9.404 1.00 31.51 N ATOM 1299 CA GLY A 85 4.921 -6.298 -8.007 1.00 24.03 C ATOM 1300 C GLY A 85 4.982 -4.977 -7.239 1.00 10.12 C ATOM 1301 O GLY A 85 5.852 -4.141 -7.506 1.00 41.12 O ATOM 0 H GLY A 85 6.312 -5.955 -9.542 1.00 31.51 H new ATOM 0 HA2 GLY A 85 3.908 -6.698 -7.961 1.00 24.03 H new ATOM 0 HA3 GLY A 85 5.574 -7.027 -7.528 1.00 24.03 H new ATOM 1305 N LEU A 86 4.063 -4.785 -6.294 1.00 34.34 N ATOM 1306 CA LEU A 86 3.976 -3.531 -5.528 1.00 34.05 C ATOM 1307 C LEU A 86 3.547 -3.795 -4.075 1.00 21.24 C ATOM 1308 O LEU A 86 2.574 -4.505 -3.824 1.00 1.40 O ATOM 1309 CB LEU A 86 2.973 -2.580 -6.207 1.00 70.10 C ATOM 1310 CG LEU A 86 2.799 -1.199 -5.548 1.00 33.12 C ATOM 1311 CD1 LEU A 86 4.117 -0.431 -5.525 1.00 31.30 C ATOM 1312 CD2 LEU A 86 1.720 -0.393 -6.270 1.00 2.03 C ATOM 0 H LEU A 86 3.364 -5.481 -6.036 1.00 34.34 H new ATOM 0 HA LEU A 86 4.964 -3.071 -5.509 1.00 34.05 H new ATOM 0 HB2 LEU A 86 3.287 -2.430 -7.240 1.00 70.10 H new ATOM 0 HB3 LEU A 86 2.000 -3.071 -6.237 1.00 70.10 H new ATOM 0 HG LEU A 86 2.483 -1.355 -4.516 1.00 33.12 H new ATOM 0 HD11 LEU A 86 3.964 0.540 -5.054 1.00 31.30 H new ATOM 0 HD12 LEU A 86 4.858 -0.996 -4.959 1.00 31.30 H new ATOM 0 HD13 LEU A 86 4.472 -0.288 -6.545 1.00 31.30 H new ATOM 0 HD21 LEU A 86 1.611 0.580 -5.791 1.00 2.03 H new ATOM 0 HD22 LEU A 86 2.006 -0.254 -7.312 1.00 2.03 H new ATOM 0 HD23 LEU A 86 0.772 -0.929 -6.223 1.00 2.03 H new ATOM 1324 N LEU A 87 4.277 -3.218 -3.120 1.00 3.12 N ATOM 1325 CA LEU A 87 3.942 -3.370 -1.698 1.00 75.12 C ATOM 1326 C LEU A 87 3.639 -2.011 -1.042 1.00 10.33 C ATOM 1327 O LEU A 87 4.461 -1.095 -1.079 1.00 12.41 O ATOM 1328 CB LEU A 87 5.088 -4.071 -0.950 1.00 5.14 C ATOM 1329 CG LEU A 87 4.828 -4.343 0.542 1.00 22.21 C ATOM 1330 CD1 LEU A 87 3.614 -5.252 0.727 1.00 13.11 C ATOM 1331 CD2 LEU A 87 6.063 -4.949 1.204 1.00 14.25 C ATOM 0 H LEU A 87 5.100 -2.644 -3.301 1.00 3.12 H new ATOM 0 HA LEU A 87 3.044 -3.984 -1.634 1.00 75.12 H new ATOM 0 HB2 LEU A 87 5.296 -5.020 -1.445 1.00 5.14 H new ATOM 0 HB3 LEU A 87 5.986 -3.460 -1.040 1.00 5.14 H new ATOM 0 HG LEU A 87 4.614 -3.391 1.027 1.00 22.21 H new ATOM 0 HD11 LEU A 87 3.451 -5.429 1.790 1.00 13.11 H new ATOM 0 HD12 LEU A 87 2.733 -4.774 0.300 1.00 13.11 H new ATOM 0 HD13 LEU A 87 3.791 -6.202 0.224 1.00 13.11 H new ATOM 0 HD21 LEU A 87 5.857 -5.133 2.258 1.00 14.25 H new ATOM 0 HD22 LEU A 87 6.314 -5.889 0.714 1.00 14.25 H new ATOM 0 HD23 LEU A 87 6.901 -4.258 1.113 1.00 14.25 H new ATOM 1343 N LEU A 88 2.453 -1.890 -0.450 1.00 20.44 N ATOM 1344 CA LEU A 88 2.052 -0.677 0.274 1.00 61.35 C ATOM 1345 C LEU A 88 1.954 -0.945 1.785 1.00 61.34 C ATOM 1346 O LEU A 88 1.060 -1.655 2.244 1.00 31.44 O ATOM 1347 CB LEU A 88 0.703 -0.166 -0.260 1.00 53.10 C ATOM 1348 CG LEU A 88 0.123 1.059 0.473 1.00 53.05 C ATOM 1349 CD1 LEU A 88 1.090 2.240 0.418 1.00 24.53 C ATOM 1350 CD2 LEU A 88 -1.236 1.443 -0.113 1.00 14.31 C ATOM 0 H LEU A 88 1.744 -2.623 -0.456 1.00 20.44 H new ATOM 0 HA LEU A 88 2.814 0.085 0.111 1.00 61.35 H new ATOM 0 HB2 LEU A 88 0.820 0.085 -1.314 1.00 53.10 H new ATOM 0 HB3 LEU A 88 -0.022 -0.978 -0.204 1.00 53.10 H new ATOM 0 HG LEU A 88 -0.018 0.791 1.520 1.00 53.05 H new ATOM 0 HD11 LEU A 88 0.655 3.091 0.943 1.00 24.53 H new ATOM 0 HD12 LEU A 88 2.031 1.962 0.893 1.00 24.53 H new ATOM 0 HD13 LEU A 88 1.275 2.511 -0.622 1.00 24.53 H new ATOM 0 HD21 LEU A 88 -1.629 2.310 0.418 1.00 14.31 H new ATOM 0 HD22 LEU A 88 -1.121 1.686 -1.169 1.00 14.31 H new ATOM 0 HD23 LEU A 88 -1.928 0.607 -0.006 1.00 14.31 H new ATOM 1362 N VAL A 89 2.879 -0.380 2.559 1.00 32.41 N ATOM 1363 CA VAL A 89 2.896 -0.580 4.015 1.00 12.34 C ATOM 1364 C VAL A 89 2.523 0.704 4.772 1.00 72.22 C ATOM 1365 O VAL A 89 3.088 1.769 4.521 1.00 52.15 O ATOM 1366 CB VAL A 89 4.286 -1.067 4.502 1.00 71.12 C ATOM 1367 CG1 VAL A 89 4.304 -1.242 6.021 1.00 1.21 C ATOM 1368 CG2 VAL A 89 4.679 -2.368 3.803 1.00 71.33 C ATOM 0 H VAL A 89 3.626 0.219 2.208 1.00 32.41 H new ATOM 0 HA VAL A 89 2.150 -1.345 4.229 1.00 12.34 H new ATOM 0 HB VAL A 89 5.020 -0.304 4.242 1.00 71.12 H new ATOM 0 HG11 VAL A 89 5.290 -1.584 6.336 1.00 1.21 H new ATOM 0 HG12 VAL A 89 4.080 -0.289 6.500 1.00 1.21 H new ATOM 0 HG13 VAL A 89 3.555 -1.978 6.311 1.00 1.21 H new ATOM 0 HG21 VAL A 89 5.657 -2.691 4.159 1.00 71.33 H new ATOM 0 HG22 VAL A 89 3.939 -3.138 4.024 1.00 71.33 H new ATOM 0 HG23 VAL A 89 4.721 -2.204 2.726 1.00 71.33 H new ATOM 1378 N LEU A 90 1.568 0.592 5.698 1.00 43.42 N ATOM 1379 CA LEU A 90 1.170 1.712 6.559 1.00 1.13 C ATOM 1380 C LEU A 90 1.673 1.508 7.998 1.00 5.11 C ATOM 1381 O LEU A 90 1.313 0.533 8.665 1.00 40.44 O ATOM 1382 CB LEU A 90 -0.361 1.871 6.563 1.00 72.54 C ATOM 1383 CG LEU A 90 -0.918 2.875 7.593 1.00 33.21 C ATOM 1384 CD1 LEU A 90 -0.500 4.308 7.271 1.00 31.13 C ATOM 1385 CD2 LEU A 90 -2.439 2.764 7.691 1.00 12.43 C ATOM 0 H LEU A 90 1.051 -0.270 5.873 1.00 43.42 H new ATOM 0 HA LEU A 90 1.623 2.618 6.157 1.00 1.13 H new ATOM 0 HB2 LEU A 90 -0.680 2.182 5.568 1.00 72.54 H new ATOM 0 HB3 LEU A 90 -0.810 0.896 6.751 1.00 72.54 H new ATOM 0 HG LEU A 90 -0.489 2.619 8.562 1.00 33.21 H new ATOM 0 HD11 LEU A 90 -0.912 4.984 8.020 1.00 31.13 H new ATOM 0 HD12 LEU A 90 0.588 4.380 7.277 1.00 31.13 H new ATOM 0 HD13 LEU A 90 -0.876 4.584 6.286 1.00 31.13 H new ATOM 0 HD21 LEU A 90 -2.810 3.481 8.423 1.00 12.43 H new ATOM 0 HD22 LEU A 90 -2.883 2.976 6.718 1.00 12.43 H new ATOM 0 HD23 LEU A 90 -2.711 1.755 8.001 1.00 12.43 H new ATOM 1397 N VAL A 91 2.503 2.434 8.469 1.00 75.40 N ATOM 1398 CA VAL A 91 3.031 2.391 9.837 1.00 3.42 C ATOM 1399 C VAL A 91 2.304 3.397 10.746 1.00 74.21 C ATOM 1400 O VAL A 91 2.599 4.590 10.718 1.00 70.50 O ATOM 1401 CB VAL A 91 4.551 2.694 9.850 1.00 54.42 C ATOM 1402 CG1 VAL A 91 5.107 2.698 11.276 1.00 12.40 C ATOM 1403 CG2 VAL A 91 5.300 1.692 8.975 1.00 42.02 C ATOM 0 H VAL A 91 2.829 3.231 7.922 1.00 75.40 H new ATOM 0 HA VAL A 91 2.861 1.384 10.219 1.00 3.42 H new ATOM 0 HB VAL A 91 4.700 3.692 9.438 1.00 54.42 H new ATOM 0 HG11 VAL A 91 6.175 2.914 11.249 1.00 12.40 H new ATOM 0 HG12 VAL A 91 4.597 3.462 11.863 1.00 12.40 H new ATOM 0 HG13 VAL A 91 4.945 1.721 11.732 1.00 12.40 H new ATOM 0 HG21 VAL A 91 6.366 1.918 8.994 1.00 42.02 H new ATOM 0 HG22 VAL A 91 5.136 0.683 9.354 1.00 42.02 H new ATOM 0 HG23 VAL A 91 4.934 1.758 7.951 1.00 42.02 H new ATOM 1413 N LEU A 92 1.361 2.907 11.551 1.00 42.32 N ATOM 1414 CA LEU A 92 0.556 3.764 12.439 1.00 11.32 C ATOM 1415 C LEU A 92 1.430 4.552 13.437 1.00 15.34 C ATOM 1416 O LEU A 92 1.156 5.717 13.732 1.00 70.45 O ATOM 1417 CB LEU A 92 -0.464 2.905 13.196 1.00 41.21 C ATOM 1418 CG LEU A 92 -1.379 3.662 14.174 1.00 3.23 C ATOM 1419 CD1 LEU A 92 -2.225 4.701 13.440 1.00 20.33 C ATOM 1420 CD2 LEU A 92 -2.264 2.682 14.942 1.00 13.41 C ATOM 0 H LEU A 92 1.131 1.915 11.610 1.00 42.32 H new ATOM 0 HA LEU A 92 0.038 4.494 11.817 1.00 11.32 H new ATOM 0 HB2 LEU A 92 -1.089 2.390 12.467 1.00 41.21 H new ATOM 0 HB3 LEU A 92 0.076 2.138 13.752 1.00 41.21 H new ATOM 0 HG LEU A 92 -0.751 4.191 14.890 1.00 3.23 H new ATOM 0 HD11 LEU A 92 -2.863 5.222 14.155 1.00 20.33 H new ATOM 0 HD12 LEU A 92 -1.571 5.420 12.946 1.00 20.33 H new ATOM 0 HD13 LEU A 92 -2.846 4.204 12.695 1.00 20.33 H new ATOM 0 HD21 LEU A 92 -2.905 3.233 15.630 1.00 13.41 H new ATOM 0 HD22 LEU A 92 -2.881 2.122 14.240 1.00 13.41 H new ATOM 0 HD23 LEU A 92 -1.637 1.991 15.505 1.00 13.41 H new ATOM 1432 N ASP A 93 2.469 3.898 13.955 1.00 12.35 N ATOM 1433 CA ASP A 93 3.447 4.527 14.863 1.00 11.42 C ATOM 1434 C ASP A 93 3.941 5.888 14.334 1.00 34.01 C ATOM 1435 O ASP A 93 3.984 6.878 15.067 1.00 22.42 O ATOM 1436 CB ASP A 93 4.630 3.567 15.053 1.00 45.15 C ATOM 1437 CG ASP A 93 5.821 4.194 15.755 1.00 13.04 C ATOM 1438 OD1 ASP A 93 5.733 4.468 16.968 1.00 50.34 O ATOM 1439 OD2 ASP A 93 6.864 4.385 15.094 1.00 44.21 O ATOM 0 H ASP A 93 2.663 2.916 13.761 1.00 12.35 H new ATOM 0 HA ASP A 93 2.958 4.720 15.818 1.00 11.42 H new ATOM 0 HB2 ASP A 93 4.296 2.702 15.627 1.00 45.15 H new ATOM 0 HB3 ASP A 93 4.948 3.199 14.077 1.00 45.15 H new ATOM 1444 N GLN A 94 4.305 5.922 13.057 1.00 53.41 N ATOM 1445 CA GLN A 94 4.785 7.149 12.407 1.00 3.30 C ATOM 1446 C GLN A 94 3.743 7.695 11.417 1.00 52.11 C ATOM 1447 O GLN A 94 4.018 8.632 10.669 1.00 52.43 O ATOM 1448 CB GLN A 94 6.110 6.853 11.691 1.00 52.31 C ATOM 1449 CG GLN A 94 7.303 6.712 12.639 1.00 43.52 C ATOM 1450 CD GLN A 94 8.382 5.789 12.094 1.00 12.32 C ATOM 1451 OE1 GLN A 94 9.247 6.202 11.328 1.00 23.02 O ATOM 1452 NE2 GLN A 94 8.357 4.540 12.512 1.00 45.22 N ATOM 0 H GLN A 94 4.278 5.109 12.442 1.00 53.41 H new ATOM 0 HA GLN A 94 4.946 7.914 13.167 1.00 3.30 H new ATOM 0 HB2 GLN A 94 6.004 5.934 11.115 1.00 52.31 H new ATOM 0 HB3 GLN A 94 6.315 7.653 10.980 1.00 52.31 H new ATOM 0 HG2 GLN A 94 7.733 7.696 12.824 1.00 43.52 H new ATOM 0 HG3 GLN A 94 6.955 6.330 13.599 1.00 43.52 H new ATOM 0 HE21 GLN A 94 7.623 4.230 13.149 1.00 45.22 H new ATOM 0 HE22 GLN A 94 9.072 3.883 12.199 1.00 45.22 H new ATOM 1461 N ARG A 95 2.547 7.095 11.451 1.00 42.55 N ATOM 1462 CA ARG A 95 1.418 7.428 10.561 1.00 3.34 C ATOM 1463 C ARG A 95 1.850 7.881 9.151 1.00 15.11 C ATOM 1464 O ARG A 95 1.514 8.973 8.690 1.00 4.41 O ATOM 1465 CB ARG A 95 0.473 8.440 11.235 1.00 22.24 C ATOM 1466 CG ARG A 95 1.147 9.697 11.774 1.00 44.20 C ATOM 1467 CD ARG A 95 0.185 10.519 12.631 1.00 71.42 C ATOM 1468 NE ARG A 95 -1.016 10.910 11.898 1.00 64.31 N ATOM 1469 CZ ARG A 95 -1.138 12.024 11.232 1.00 53.53 C ATOM 1470 NH1 ARG A 95 -0.173 12.887 11.207 1.00 44.51 N ATOM 1471 NH2 ARG A 95 -2.235 12.291 10.605 1.00 71.42 N ATOM 0 H ARG A 95 2.328 6.348 12.110 1.00 42.55 H new ATOM 0 HA ARG A 95 0.867 6.502 10.399 1.00 3.34 H new ATOM 0 HB2 ARG A 95 -0.290 8.736 10.515 1.00 22.24 H new ATOM 0 HB3 ARG A 95 -0.041 7.942 12.057 1.00 22.24 H new ATOM 0 HG2 ARG A 95 2.019 9.419 12.367 1.00 44.20 H new ATOM 0 HG3 ARG A 95 1.507 10.304 10.943 1.00 44.20 H new ATOM 0 HD2 ARG A 95 -0.101 9.940 13.509 1.00 71.42 H new ATOM 0 HD3 ARG A 95 0.695 11.413 12.990 1.00 71.42 H new ATOM 0 HE ARG A 95 -1.810 10.270 11.908 1.00 64.31 H new ATOM 0 HH11 ARG A 95 0.693 12.698 11.712 1.00 44.51 H new ATOM 0 HH12 ARG A 95 -0.279 13.755 10.683 1.00 44.51 H new ATOM 0 HH21 ARG A 95 -3.011 11.629 10.630 1.00 71.42 H new ATOM 0 HH22 ARG A 95 -2.326 13.164 10.085 1.00 71.42 H new ATOM 1485 N ARG A 96 2.590 7.006 8.469 1.00 55.11 N ATOM 1486 CA ARG A 96 3.006 7.236 7.079 1.00 55.04 C ATOM 1487 C ARG A 96 3.163 5.912 6.323 1.00 20.33 C ATOM 1488 O ARG A 96 3.299 4.847 6.931 1.00 2.52 O ATOM 1489 CB ARG A 96 4.310 8.050 7.016 1.00 74.43 C ATOM 1490 CG ARG A 96 5.435 7.525 7.903 1.00 4.22 C ATOM 1491 CD ARG A 96 6.645 8.454 7.868 1.00 33.01 C ATOM 1492 NE ARG A 96 7.627 8.151 8.910 1.00 1.21 N ATOM 1493 CZ ARG A 96 8.482 9.024 9.381 1.00 14.41 C ATOM 1494 NH1 ARG A 96 8.537 10.220 8.891 1.00 35.43 N ATOM 1495 NH2 ARG A 96 9.294 8.691 10.330 1.00 10.20 N ATOM 0 H ARG A 96 2.918 6.122 8.859 1.00 55.11 H new ATOM 0 HA ARG A 96 2.220 7.815 6.594 1.00 55.04 H new ATOM 0 HB2 ARG A 96 4.660 8.071 5.984 1.00 74.43 H new ATOM 0 HB3 ARG A 96 4.093 9.080 7.300 1.00 74.43 H new ATOM 0 HG2 ARG A 96 5.078 7.427 8.928 1.00 4.22 H new ATOM 0 HG3 ARG A 96 5.728 6.529 7.571 1.00 4.22 H new ATOM 0 HD2 ARG A 96 7.124 8.381 6.892 1.00 33.01 H new ATOM 0 HD3 ARG A 96 6.309 9.485 7.982 1.00 33.01 H new ATOM 0 HE ARG A 96 7.647 7.205 9.291 1.00 1.21 H new ATOM 0 HH11 ARG A 96 7.911 10.489 8.132 1.00 35.43 H new ATOM 0 HH12 ARG A 96 9.206 10.894 9.264 1.00 35.43 H new ATOM 0 HH21 ARG A 96 9.270 7.746 10.714 1.00 10.20 H new ATOM 0 HH22 ARG A 96 9.959 9.373 10.695 1.00 10.20 H new ATOM 1509 N VAL A 97 3.148 5.987 4.993 1.00 21.31 N ATOM 1510 CA VAL A 97 3.179 4.788 4.142 1.00 45.13 C ATOM 1511 C VAL A 97 4.318 4.842 3.111 1.00 1.32 C ATOM 1512 O VAL A 97 4.988 5.866 2.956 1.00 14.20 O ATOM 1513 CB VAL A 97 1.841 4.595 3.375 1.00 14.42 C ATOM 1514 CG1 VAL A 97 0.648 4.737 4.301 1.00 42.42 C ATOM 1515 CG2 VAL A 97 1.725 5.567 2.201 1.00 42.12 C ATOM 0 H VAL A 97 3.115 6.866 4.476 1.00 21.31 H new ATOM 0 HA VAL A 97 3.342 3.949 4.818 1.00 45.13 H new ATOM 0 HB VAL A 97 1.843 3.581 2.976 1.00 14.42 H new ATOM 0 HG11 VAL A 97 -0.272 4.596 3.733 1.00 42.42 H new ATOM 0 HG12 VAL A 97 0.707 3.985 5.088 1.00 42.42 H new ATOM 0 HG13 VAL A 97 0.650 5.731 4.748 1.00 42.42 H new ATOM 0 HG21 VAL A 97 0.778 5.405 1.687 1.00 42.12 H new ATOM 0 HG22 VAL A 97 1.766 6.591 2.571 1.00 42.12 H new ATOM 0 HG23 VAL A 97 2.548 5.399 1.507 1.00 42.12 H new ATOM 1525 N ARG A 98 4.531 3.730 2.410 1.00 22.53 N ATOM 1526 CA ARG A 98 5.476 3.684 1.288 1.00 32.30 C ATOM 1527 C ARG A 98 5.056 2.652 0.229 1.00 1.24 C ATOM 1528 O ARG A 98 4.660 1.532 0.559 1.00 54.21 O ATOM 1529 CB ARG A 98 6.902 3.373 1.776 1.00 64.22 C ATOM 1530 CG ARG A 98 7.880 3.098 0.634 1.00 70.44 C ATOM 1531 CD ARG A 98 9.309 2.883 1.120 1.00 63.44 C ATOM 1532 NE ARG A 98 10.166 2.374 0.048 1.00 32.53 N ATOM 1533 CZ ARG A 98 11.120 3.054 -0.530 1.00 51.11 C ATOM 1534 NH1 ARG A 98 11.396 4.264 -0.157 1.00 34.22 N ATOM 1535 NH2 ARG A 98 11.811 2.503 -1.472 1.00 1.22 N ATOM 0 H ARG A 98 4.062 2.844 2.598 1.00 22.53 H new ATOM 0 HA ARG A 98 5.465 4.672 0.827 1.00 32.30 H new ATOM 0 HB2 ARG A 98 7.269 4.213 2.366 1.00 64.22 H new ATOM 0 HB3 ARG A 98 6.872 2.507 2.438 1.00 64.22 H new ATOM 0 HG2 ARG A 98 7.551 2.216 0.084 1.00 70.44 H new ATOM 0 HG3 ARG A 98 7.860 3.934 -0.065 1.00 70.44 H new ATOM 0 HD2 ARG A 98 9.713 3.823 1.495 1.00 63.44 H new ATOM 0 HD3 ARG A 98 9.310 2.180 1.953 1.00 63.44 H new ATOM 0 HE ARG A 98 10.007 1.418 -0.271 1.00 32.53 H new ATOM 0 HH11 ARG A 98 10.865 4.699 0.598 1.00 34.22 H new ATOM 0 HH12 ARG A 98 12.144 4.782 -0.618 1.00 34.22 H new ATOM 0 HH21 ARG A 98 11.610 1.545 -1.759 1.00 1.22 H new ATOM 0 HH22 ARG A 98 12.558 3.026 -1.929 1.00 1.22 H new ATOM 1549 N PHE A 99 5.136 3.049 -1.044 1.00 53.11 N ATOM 1550 CA PHE A 99 4.940 2.130 -2.173 1.00 31.04 C ATOM 1551 C PHE A 99 6.293 1.579 -2.648 1.00 74.11 C ATOM 1552 O PHE A 99 7.139 2.334 -3.124 1.00 23.21 O ATOM 1553 CB PHE A 99 4.266 2.853 -3.351 1.00 63.13 C ATOM 1554 CG PHE A 99 2.852 3.314 -3.092 1.00 54.33 C ATOM 1555 CD1 PHE A 99 2.599 4.556 -2.524 1.00 15.04 C ATOM 1556 CD2 PHE A 99 1.774 2.509 -3.436 1.00 4.02 C ATOM 1557 CE1 PHE A 99 1.303 4.982 -2.302 1.00 4.11 C ATOM 1558 CE2 PHE A 99 0.477 2.932 -3.219 1.00 62.43 C ATOM 1559 CZ PHE A 99 0.241 4.168 -2.651 1.00 63.21 C ATOM 0 H PHE A 99 5.337 4.010 -1.322 1.00 53.11 H new ATOM 0 HA PHE A 99 4.302 1.314 -1.833 1.00 31.04 H new ATOM 0 HB2 PHE A 99 4.871 3.719 -3.620 1.00 63.13 H new ATOM 0 HB3 PHE A 99 4.263 2.186 -4.213 1.00 63.13 H new ATOM 0 HD1 PHE A 99 3.425 5.197 -2.253 1.00 15.04 H new ATOM 0 HD2 PHE A 99 1.952 1.540 -3.879 1.00 4.02 H new ATOM 0 HE1 PHE A 99 1.120 5.949 -1.857 1.00 4.11 H new ATOM 0 HE2 PHE A 99 -0.352 2.296 -3.493 1.00 62.43 H new ATOM 0 HZ PHE A 99 -0.773 4.499 -2.479 1.00 63.21 H new ATOM 1569 N GLU A 100 6.507 0.275 -2.508 1.00 71.12 N ATOM 1570 CA GLU A 100 7.744 -0.350 -2.991 1.00 33.31 C ATOM 1571 C GLU A 100 7.510 -1.062 -4.331 1.00 64.21 C ATOM 1572 O GLU A 100 6.785 -2.058 -4.400 1.00 1.04 O ATOM 1573 CB GLU A 100 8.288 -1.341 -1.954 1.00 31.53 C ATOM 1574 CG GLU A 100 9.701 -1.838 -2.260 1.00 43.42 C ATOM 1575 CD GLU A 100 10.724 -0.709 -2.283 1.00 23.55 C ATOM 1576 OE1 GLU A 100 10.991 -0.128 -1.209 1.00 13.40 O ATOM 1577 OE2 GLU A 100 11.253 -0.384 -3.370 1.00 64.22 O ATOM 0 H GLU A 100 5.849 -0.369 -2.069 1.00 71.12 H new ATOM 0 HA GLU A 100 8.482 0.438 -3.143 1.00 33.31 H new ATOM 0 HB2 GLU A 100 8.284 -0.865 -0.973 1.00 31.53 H new ATOM 0 HB3 GLU A 100 7.616 -2.197 -1.896 1.00 31.53 H new ATOM 0 HG2 GLU A 100 9.994 -2.574 -1.511 1.00 43.42 H new ATOM 0 HG3 GLU A 100 9.703 -2.346 -3.224 1.00 43.42 H new ATOM 1584 N THR A 101 8.120 -0.537 -5.391 1.00 72.05 N ATOM 1585 CA THR A 101 7.970 -1.094 -6.742 1.00 1.32 C ATOM 1586 C THR A 101 8.995 -2.181 -7.054 1.00 50.54 C ATOM 1587 O THR A 101 10.128 -2.163 -6.565 1.00 42.05 O ATOM 1588 CB THR A 101 8.102 -0.003 -7.835 1.00 54.14 C ATOM 1589 OG1 THR A 101 9.143 0.922 -7.483 1.00 51.41 O ATOM 1590 CG2 THR A 101 6.788 0.734 -8.046 1.00 25.32 C ATOM 0 H THR A 101 8.729 0.280 -5.344 1.00 72.05 H new ATOM 0 HA THR A 101 6.969 -1.526 -6.754 1.00 1.32 H new ATOM 0 HB THR A 101 8.361 -0.494 -8.773 1.00 54.14 H new ATOM 0 HG1 THR A 101 9.221 1.607 -8.179 1.00 51.41 H new ATOM 0 HG21 THR A 101 6.916 1.492 -8.819 1.00 25.32 H new ATOM 0 HG22 THR A 101 6.019 0.026 -8.356 1.00 25.32 H new ATOM 0 HG23 THR A 101 6.486 1.213 -7.115 1.00 25.32 H new ATOM 1598 N GLY A 102 8.577 -3.132 -7.877 1.00 14.23 N ATOM 1599 CA GLY A 102 9.504 -4.088 -8.447 1.00 63.04 C ATOM 1600 C GLY A 102 10.075 -3.613 -9.781 1.00 55.11 C ATOM 1601 O GLY A 102 9.860 -2.473 -10.190 1.00 74.33 O ATOM 0 H GLY A 102 7.606 -3.259 -8.162 1.00 14.23 H new ATOM 0 HA2 GLY A 102 10.320 -4.262 -7.746 1.00 63.04 H new ATOM 0 HA3 GLY A 102 8.997 -5.042 -8.590 1.00 63.04 H new ATOM 1605 N TYR A 103 10.774 -4.502 -10.474 1.00 14.51 N ATOM 1606 CA TYR A 103 11.394 -4.175 -11.764 1.00 21.40 C ATOM 1607 C TYR A 103 10.336 -3.915 -12.853 1.00 13.54 C ATOM 1608 O TYR A 103 10.582 -3.191 -13.817 1.00 2.32 O ATOM 1609 CB TYR A 103 12.339 -5.326 -12.171 1.00 32.44 C ATOM 1610 CG TYR A 103 12.452 -5.560 -13.667 1.00 71.34 C ATOM 1611 CD1 TYR A 103 13.356 -4.844 -14.447 1.00 11.50 C ATOM 1612 CD2 TYR A 103 11.646 -6.503 -14.299 1.00 43.02 C ATOM 1613 CE1 TYR A 103 13.448 -5.061 -15.809 1.00 40.33 C ATOM 1614 CE2 TYR A 103 11.735 -6.723 -15.657 1.00 32.31 C ATOM 1615 CZ TYR A 103 12.636 -6.002 -16.409 1.00 2.04 C ATOM 1616 OH TYR A 103 12.726 -6.221 -17.767 1.00 61.53 O ATOM 0 H TYR A 103 10.930 -5.462 -10.167 1.00 14.51 H new ATOM 0 HA TYR A 103 11.967 -3.254 -11.658 1.00 21.40 H new ATOM 0 HB2 TYR A 103 13.333 -5.119 -11.774 1.00 32.44 H new ATOM 0 HB3 TYR A 103 11.993 -6.245 -11.699 1.00 32.44 H new ATOM 0 HD1 TYR A 103 13.995 -4.108 -13.981 1.00 11.50 H new ATOM 0 HD2 TYR A 103 10.938 -7.072 -13.715 1.00 43.02 H new ATOM 0 HE1 TYR A 103 14.153 -4.496 -16.401 1.00 40.33 H new ATOM 0 HE2 TYR A 103 11.100 -7.458 -16.130 1.00 32.31 H new ATOM 0 HH TYR A 103 12.087 -6.916 -18.029 1.00 61.53 H new ATOM 1626 N GLY A 104 9.150 -4.484 -12.668 1.00 24.43 N ATOM 1627 CA GLY A 104 8.119 -4.425 -13.699 1.00 42.12 C ATOM 1628 C GLY A 104 7.442 -3.061 -13.803 1.00 5.21 C ATOM 1629 O GLY A 104 7.007 -2.649 -14.878 1.00 61.40 O ATOM 0 H GLY A 104 8.880 -4.987 -11.823 1.00 24.43 H new ATOM 0 HA2 GLY A 104 8.564 -4.676 -14.662 1.00 42.12 H new ATOM 0 HA3 GLY A 104 7.363 -5.182 -13.490 1.00 42.12 H new ATOM 1633 N LEU A 105 7.359 -2.353 -12.676 1.00 62.30 N ATOM 1634 CA LEU A 105 6.575 -1.114 -12.594 1.00 72.21 C ATOM 1635 C LEU A 105 7.394 0.138 -12.942 1.00 24.00 C ATOM 1636 O LEU A 105 6.856 1.243 -12.948 1.00 74.35 O ATOM 1637 CB LEU A 105 5.965 -0.975 -11.194 1.00 4.00 C ATOM 1638 CG LEU A 105 4.948 -2.067 -10.817 1.00 53.10 C ATOM 1639 CD1 LEU A 105 4.430 -1.856 -9.400 1.00 70.21 C ATOM 1640 CD2 LEU A 105 3.792 -2.101 -11.815 1.00 55.14 C ATOM 0 H LEU A 105 7.824 -2.614 -11.806 1.00 62.30 H new ATOM 0 HA LEU A 105 5.783 -1.187 -13.340 1.00 72.21 H new ATOM 0 HB2 LEU A 105 6.771 -0.981 -10.460 1.00 4.00 H new ATOM 0 HB3 LEU A 105 5.476 -0.004 -11.122 1.00 4.00 H new ATOM 0 HG LEU A 105 5.457 -3.030 -10.854 1.00 53.10 H new ATOM 0 HD11 LEU A 105 3.713 -2.639 -9.154 1.00 70.21 H new ATOM 0 HD12 LEU A 105 5.263 -1.894 -8.698 1.00 70.21 H new ATOM 0 HD13 LEU A 105 3.943 -0.883 -9.332 1.00 70.21 H new ATOM 0 HD21 LEU A 105 3.086 -2.880 -11.528 1.00 55.14 H new ATOM 0 HD22 LEU A 105 3.285 -1.136 -11.818 1.00 55.14 H new ATOM 0 HD23 LEU A 105 4.178 -2.311 -12.812 1.00 55.14 H new ATOM 1652 N GLU A 106 8.678 -0.035 -13.248 1.00 74.23 N ATOM 1653 CA GLU A 106 9.535 1.089 -13.658 1.00 61.30 C ATOM 1654 C GLU A 106 8.923 1.881 -14.831 1.00 42.24 C ATOM 1655 O GLU A 106 9.107 3.096 -14.934 1.00 12.45 O ATOM 1656 CB GLU A 106 10.932 0.576 -14.043 1.00 43.41 C ATOM 1657 CG GLU A 106 11.883 0.382 -12.864 1.00 64.22 C ATOM 1658 CD GLU A 106 12.257 1.694 -12.185 1.00 11.23 C ATOM 1659 OE1 GLU A 106 13.031 2.477 -12.779 1.00 71.40 O ATOM 1660 OE2 GLU A 106 11.782 1.953 -11.059 1.00 43.52 O ATOM 0 H GLU A 106 9.152 -0.938 -13.222 1.00 74.23 H new ATOM 0 HA GLU A 106 9.617 1.766 -12.808 1.00 61.30 H new ATOM 0 HB2 GLU A 106 10.825 -0.374 -14.567 1.00 43.41 H new ATOM 0 HB3 GLU A 106 11.382 1.278 -14.745 1.00 43.41 H new ATOM 0 HG2 GLU A 106 11.418 -0.280 -12.134 1.00 64.22 H new ATOM 0 HG3 GLU A 106 12.790 -0.113 -13.212 1.00 64.22 H new ATOM 1667 N GLY A 107 8.189 1.187 -15.702 1.00 43.42 N ATOM 1668 CA GLY A 107 7.562 1.833 -16.858 1.00 23.25 C ATOM 1669 C GLY A 107 6.111 2.259 -16.617 1.00 13.24 C ATOM 1670 O GLY A 107 5.443 2.745 -17.530 1.00 54.15 O ATOM 0 H GLY A 107 8.014 0.185 -15.631 1.00 43.42 H new ATOM 0 HA2 GLY A 107 8.147 2.710 -17.134 1.00 23.25 H new ATOM 0 HA3 GLY A 107 7.594 1.149 -17.706 1.00 23.25 H new ATOM 1674 N TYR A 108 5.623 2.085 -15.388 1.00 55.34 N ATOM 1675 CA TYR A 108 4.234 2.437 -15.038 1.00 20.10 C ATOM 1676 C TYR A 108 4.183 3.402 -13.843 1.00 10.33 C ATOM 1677 O TYR A 108 3.673 4.520 -13.942 1.00 21.10 O ATOM 1678 CB TYR A 108 3.431 1.170 -14.694 1.00 13.01 C ATOM 1679 CG TYR A 108 3.422 0.123 -15.789 1.00 75.42 C ATOM 1680 CD1 TYR A 108 2.705 0.323 -16.962 1.00 35.11 C ATOM 1681 CD2 TYR A 108 4.132 -1.066 -15.650 1.00 3.23 C ATOM 1682 CE1 TYR A 108 2.694 -0.627 -17.964 1.00 42.20 C ATOM 1683 CE2 TYR A 108 4.126 -2.021 -16.648 1.00 22.55 C ATOM 1684 CZ TYR A 108 3.404 -1.798 -17.802 1.00 61.23 C ATOM 1685 OH TYR A 108 3.396 -2.744 -18.803 1.00 21.43 O ATOM 0 H TYR A 108 6.165 1.702 -14.613 1.00 55.34 H new ATOM 0 HA TYR A 108 3.795 2.930 -15.905 1.00 20.10 H new ATOM 0 HB2 TYR A 108 3.843 0.727 -13.787 1.00 13.01 H new ATOM 0 HB3 TYR A 108 2.403 1.455 -14.471 1.00 13.01 H new ATOM 0 HD1 TYR A 108 2.146 1.238 -17.093 1.00 35.11 H new ATOM 0 HD2 TYR A 108 4.697 -1.245 -14.747 1.00 3.23 H new ATOM 0 HE1 TYR A 108 2.132 -0.454 -18.870 1.00 42.20 H new ATOM 0 HE2 TYR A 108 4.684 -2.938 -16.525 1.00 22.55 H new ATOM 0 HH TYR A 108 3.945 -3.510 -18.534 1.00 21.43 H new ATOM 1695 N LEU A 109 4.719 2.950 -12.714 1.00 14.00 N ATOM 1696 CA LEU A 109 4.657 3.694 -11.452 1.00 20.01 C ATOM 1697 C LEU A 109 6.067 4.058 -10.954 1.00 62.14 C ATOM 1698 O LEU A 109 6.676 3.310 -10.190 1.00 63.33 O ATOM 1699 CB LEU A 109 3.934 2.837 -10.406 1.00 21.02 C ATOM 1700 CG LEU A 109 2.501 2.412 -10.784 1.00 21.12 C ATOM 1701 CD1 LEU A 109 2.115 1.118 -10.073 1.00 45.00 C ATOM 1702 CD2 LEU A 109 1.503 3.522 -10.459 1.00 43.31 C ATOM 0 H LEU A 109 5.209 2.058 -12.644 1.00 14.00 H new ATOM 0 HA LEU A 109 4.111 4.624 -11.615 1.00 20.01 H new ATOM 0 HB2 LEU A 109 4.526 1.940 -10.222 1.00 21.02 H new ATOM 0 HB3 LEU A 109 3.896 3.391 -9.468 1.00 21.02 H new ATOM 0 HG LEU A 109 2.474 2.232 -11.859 1.00 21.12 H new ATOM 0 HD11 LEU A 109 1.100 0.837 -10.354 1.00 45.00 H new ATOM 0 HD12 LEU A 109 2.804 0.325 -10.362 1.00 45.00 H new ATOM 0 HD13 LEU A 109 2.164 1.267 -8.994 1.00 45.00 H new ATOM 0 HD21 LEU A 109 0.499 3.200 -10.734 1.00 43.31 H new ATOM 0 HD22 LEU A 109 1.535 3.739 -9.391 1.00 43.31 H new ATOM 0 HD23 LEU A 109 1.762 4.420 -11.020 1.00 43.31 H new ATOM 1714 N PRO A 110 6.616 5.200 -11.402 1.00 75.02 N ATOM 1715 CA PRO A 110 7.963 5.639 -11.006 1.00 45.13 C ATOM 1716 C PRO A 110 8.003 6.345 -9.637 1.00 15.23 C ATOM 1717 O PRO A 110 6.964 6.720 -9.082 1.00 71.24 O ATOM 1718 CB PRO A 110 8.335 6.606 -12.132 1.00 31.04 C ATOM 1719 CG PRO A 110 7.034 7.210 -12.550 1.00 43.51 C ATOM 1720 CD PRO A 110 5.983 6.144 -12.345 1.00 75.21 C ATOM 0 HA PRO A 110 8.648 4.800 -10.882 1.00 45.13 H new ATOM 0 HB2 PRO A 110 9.034 7.368 -11.786 1.00 31.04 H new ATOM 0 HB3 PRO A 110 8.815 6.085 -12.960 1.00 31.04 H new ATOM 0 HG2 PRO A 110 6.809 8.096 -11.957 1.00 43.51 H new ATOM 0 HG3 PRO A 110 7.069 7.525 -13.593 1.00 43.51 H new ATOM 0 HD2 PRO A 110 5.064 6.562 -11.935 1.00 75.21 H new ATOM 0 HD3 PRO A 110 5.720 5.656 -13.283 1.00 75.21 H new ATOM 1728 N ASP A 111 9.219 6.540 -9.114 1.00 22.11 N ATOM 1729 CA ASP A 111 9.433 7.167 -7.799 1.00 14.32 C ATOM 1730 C ASP A 111 8.625 8.468 -7.625 1.00 44.42 C ATOM 1731 O ASP A 111 7.942 8.656 -6.614 1.00 21.33 O ATOM 1732 CB ASP A 111 10.925 7.456 -7.597 1.00 62.23 C ATOM 1733 CG ASP A 111 11.764 6.188 -7.523 1.00 54.53 C ATOM 1734 OD1 ASP A 111 12.010 5.565 -8.581 1.00 70.42 O ATOM 1735 OD2 ASP A 111 12.192 5.814 -6.409 1.00 2.14 O ATOM 0 H ASP A 111 10.082 6.270 -9.586 1.00 22.11 H new ATOM 0 HA ASP A 111 9.080 6.462 -7.046 1.00 14.32 H new ATOM 0 HB2 ASP A 111 11.285 8.078 -8.417 1.00 62.23 H new ATOM 0 HB3 ASP A 111 11.059 8.029 -6.680 1.00 62.23 H new ATOM 1740 N GLY A 112 8.704 9.355 -8.617 1.00 62.30 N ATOM 1741 CA GLY A 112 8.003 10.636 -8.547 1.00 62.51 C ATOM 1742 C GLY A 112 6.493 10.493 -8.350 1.00 2.45 C ATOM 1743 O GLY A 112 5.901 11.169 -7.502 1.00 72.11 O ATOM 0 H GLY A 112 9.242 9.212 -9.472 1.00 62.30 H new ATOM 0 HA2 GLY A 112 8.415 11.223 -7.726 1.00 62.51 H new ATOM 0 HA3 GLY A 112 8.191 11.195 -9.464 1.00 62.51 H new ATOM 1747 N LEU A 113 5.876 9.608 -9.131 1.00 42.51 N ATOM 1748 CA LEU A 113 4.431 9.361 -9.044 1.00 55.24 C ATOM 1749 C LEU A 113 4.032 8.816 -7.661 1.00 71.52 C ATOM 1750 O LEU A 113 3.096 9.316 -7.028 1.00 1.02 O ATOM 1751 CB LEU A 113 4.004 8.375 -10.142 1.00 23.11 C ATOM 1752 CG LEU A 113 2.512 8.002 -10.158 1.00 12.12 C ATOM 1753 CD1 LEU A 113 1.644 9.249 -10.305 1.00 34.12 C ATOM 1754 CD2 LEU A 113 2.218 7.003 -11.277 1.00 35.41 C ATOM 0 H LEU A 113 6.354 9.046 -9.835 1.00 42.51 H new ATOM 0 HA LEU A 113 3.918 10.312 -9.187 1.00 55.24 H new ATOM 0 HB2 LEU A 113 4.263 8.803 -11.110 1.00 23.11 H new ATOM 0 HB3 LEU A 113 4.587 7.461 -10.031 1.00 23.11 H new ATOM 0 HG LEU A 113 2.269 7.530 -9.206 1.00 12.12 H new ATOM 0 HD11 LEU A 113 0.593 8.961 -10.314 1.00 34.12 H new ATOM 0 HD12 LEU A 113 1.829 9.922 -9.468 1.00 34.12 H new ATOM 0 HD13 LEU A 113 1.890 9.755 -11.238 1.00 34.12 H new ATOM 0 HD21 LEU A 113 1.157 6.752 -11.271 1.00 35.41 H new ATOM 0 HD22 LEU A 113 2.481 7.445 -12.238 1.00 35.41 H new ATOM 0 HD23 LEU A 113 2.806 6.098 -11.121 1.00 35.41 H new ATOM 1766 N LEU A 114 4.754 7.799 -7.198 1.00 23.13 N ATOM 1767 CA LEU A 114 4.490 7.187 -5.890 1.00 62.34 C ATOM 1768 C LEU A 114 4.619 8.216 -4.757 1.00 44.01 C ATOM 1769 O LEU A 114 3.791 8.262 -3.844 1.00 25.01 O ATOM 1770 CB LEU A 114 5.457 6.022 -5.647 1.00 54.31 C ATOM 1771 CG LEU A 114 5.402 4.897 -6.692 1.00 32.31 C ATOM 1772 CD1 LEU A 114 6.426 3.816 -6.367 1.00 41.11 C ATOM 1773 CD2 LEU A 114 3.994 4.306 -6.780 1.00 13.13 C ATOM 0 H LEU A 114 5.530 7.377 -7.708 1.00 23.13 H new ATOM 0 HA LEU A 114 3.466 6.813 -5.896 1.00 62.34 H new ATOM 0 HB2 LEU A 114 6.473 6.415 -5.613 1.00 54.31 H new ATOM 0 HB3 LEU A 114 5.247 5.595 -4.666 1.00 54.31 H new ATOM 0 HG LEU A 114 5.650 5.320 -7.665 1.00 32.31 H new ATOM 0 HD11 LEU A 114 6.373 3.027 -7.117 1.00 41.11 H new ATOM 0 HD12 LEU A 114 7.426 4.250 -6.367 1.00 41.11 H new ATOM 0 HD13 LEU A 114 6.213 3.396 -5.384 1.00 41.11 H new ATOM 0 HD21 LEU A 114 3.979 3.511 -7.526 1.00 13.13 H new ATOM 0 HD22 LEU A 114 3.709 3.898 -5.810 1.00 13.13 H new ATOM 0 HD23 LEU A 114 3.289 5.086 -7.067 1.00 13.13 H new ATOM 1785 N SER A 115 5.658 9.046 -4.835 1.00 32.12 N ATOM 1786 CA SER A 115 5.888 10.099 -3.835 1.00 5.33 C ATOM 1787 C SER A 115 4.748 11.122 -3.839 1.00 5.30 C ATOM 1788 O SER A 115 4.340 11.621 -2.784 1.00 30.34 O ATOM 1789 CB SER A 115 7.222 10.815 -4.090 1.00 43.03 C ATOM 1790 OG SER A 115 7.423 11.875 -3.164 1.00 1.53 O ATOM 0 H SER A 115 6.356 9.013 -5.578 1.00 32.12 H new ATOM 0 HA SER A 115 5.925 9.618 -2.858 1.00 5.33 H new ATOM 0 HB2 SER A 115 8.042 10.101 -4.012 1.00 43.03 H new ATOM 0 HB3 SER A 115 7.238 11.209 -5.106 1.00 43.03 H new ATOM 0 HG SER A 115 8.280 12.312 -3.348 1.00 1.53 H new ATOM 1796 N ARG A 116 4.231 11.430 -5.031 1.00 34.25 N ATOM 1797 CA ARG A 116 3.098 12.348 -5.159 1.00 4.21 C ATOM 1798 C ARG A 116 1.870 11.822 -4.407 1.00 34.30 C ATOM 1799 O ARG A 116 1.342 12.500 -3.534 1.00 53.41 O ATOM 1800 CB ARG A 116 2.727 12.585 -6.633 1.00 42.34 C ATOM 1801 CG ARG A 116 1.476 13.449 -6.792 1.00 15.41 C ATOM 1802 CD ARG A 116 1.059 13.638 -8.245 1.00 62.02 C ATOM 1803 NE ARG A 116 -0.216 14.348 -8.344 1.00 0.12 N ATOM 1804 CZ ARG A 116 -0.713 14.828 -9.450 1.00 4.10 C ATOM 1805 NH1 ARG A 116 -0.068 14.720 -10.566 1.00 73.45 N ATOM 1806 NH2 ARG A 116 -1.858 15.426 -9.434 1.00 12.52 N ATOM 0 H ARG A 116 4.577 11.059 -5.916 1.00 34.25 H new ATOM 0 HA ARG A 116 3.409 13.295 -4.718 1.00 4.21 H new ATOM 0 HB2 ARG A 116 3.563 13.065 -7.142 1.00 42.34 H new ATOM 0 HB3 ARG A 116 2.565 11.624 -7.122 1.00 42.34 H new ATOM 0 HG2 ARG A 116 0.654 12.992 -6.241 1.00 15.41 H new ATOM 0 HG3 ARG A 116 1.657 14.425 -6.343 1.00 15.41 H new ATOM 0 HD2 ARG A 116 1.830 14.195 -8.777 1.00 62.02 H new ATOM 0 HD3 ARG A 116 0.975 12.666 -8.731 1.00 62.02 H new ATOM 0 HE ARG A 116 -0.754 14.477 -7.487 1.00 0.12 H new ATOM 0 HH11 ARG A 116 0.840 14.255 -10.587 1.00 73.45 H new ATOM 0 HH12 ARG A 116 -0.467 15.099 -11.425 1.00 73.45 H new ATOM 0 HH21 ARG A 116 -2.371 15.522 -8.558 1.00 12.52 H new ATOM 0 HH22 ARG A 116 -2.249 15.802 -10.298 1.00 12.52 H new ATOM 1820 N ILE A 117 1.444 10.597 -4.723 1.00 74.24 N ATOM 1821 CA ILE A 117 0.205 10.030 -4.164 1.00 61.51 C ATOM 1822 C ILE A 117 0.147 10.189 -2.633 1.00 53.30 C ATOM 1823 O ILE A 117 -0.864 10.630 -2.076 1.00 15.03 O ATOM 1824 CB ILE A 117 0.061 8.528 -4.530 1.00 74.24 C ATOM 1825 CG1 ILE A 117 0.057 8.347 -6.062 1.00 2.42 C ATOM 1826 CG2 ILE A 117 -1.207 7.934 -3.910 1.00 44.11 C ATOM 1827 CD1 ILE A 117 -0.026 6.902 -6.514 1.00 60.35 C ATOM 0 H ILE A 117 1.936 9.974 -5.364 1.00 74.24 H new ATOM 0 HA ILE A 117 -0.622 10.587 -4.604 1.00 61.51 H new ATOM 0 HB ILE A 117 0.917 7.992 -4.121 1.00 74.24 H new ATOM 0 HG12 ILE A 117 -0.787 8.896 -6.480 1.00 2.42 H new ATOM 0 HG13 ILE A 117 0.963 8.793 -6.472 1.00 2.42 H new ATOM 0 HG21 ILE A 117 -1.286 6.881 -4.181 1.00 44.11 H new ATOM 0 HG22 ILE A 117 -1.160 8.027 -2.825 1.00 44.11 H new ATOM 0 HG23 ILE A 117 -2.080 8.470 -4.282 1.00 44.11 H new ATOM 0 HD11 ILE A 117 -0.024 6.861 -7.603 1.00 60.35 H new ATOM 0 HD12 ILE A 117 0.831 6.350 -6.128 1.00 60.35 H new ATOM 0 HD13 ILE A 117 -0.945 6.455 -6.136 1.00 60.35 H new ATOM 1839 N ILE A 118 1.250 9.864 -1.967 1.00 41.12 N ATOM 1840 CA ILE A 118 1.341 10.005 -0.510 1.00 3.15 C ATOM 1841 C ILE A 118 1.132 11.468 -0.072 1.00 1.54 C ATOM 1842 O ILE A 118 0.257 11.771 0.743 1.00 63.30 O ATOM 1843 CB ILE A 118 2.716 9.508 0.014 1.00 4.34 C ATOM 1844 CG1 ILE A 118 2.979 8.063 -0.451 1.00 34.51 C ATOM 1845 CG2 ILE A 118 2.784 9.608 1.540 1.00 12.44 C ATOM 1846 CD1 ILE A 118 4.330 7.515 -0.037 1.00 72.43 C ATOM 0 H ILE A 118 2.095 9.501 -2.408 1.00 41.12 H new ATOM 0 HA ILE A 118 0.549 9.391 -0.082 1.00 3.15 H new ATOM 0 HB ILE A 118 3.494 10.149 -0.401 1.00 4.34 H new ATOM 0 HG12 ILE A 118 2.198 7.416 -0.050 1.00 34.51 H new ATOM 0 HG13 ILE A 118 2.900 8.022 -1.537 1.00 34.51 H new ATOM 0 HG21 ILE A 118 3.756 9.255 1.885 1.00 12.44 H new ATOM 0 HG22 ILE A 118 2.647 10.646 1.843 1.00 12.44 H new ATOM 0 HG23 ILE A 118 1.998 8.995 1.980 1.00 12.44 H new ATOM 0 HD11 ILE A 118 4.436 6.494 -0.403 1.00 72.43 H new ATOM 0 HD12 ILE A 118 5.120 8.136 -0.460 1.00 72.43 H new ATOM 0 HD13 ILE A 118 4.407 7.520 1.050 1.00 72.43 H new ATOM 1858 N HIS A 119 1.931 12.374 -0.636 1.00 20.24 N ATOM 1859 CA HIS A 119 1.940 13.781 -0.213 1.00 31.41 C ATOM 1860 C HIS A 119 0.830 14.626 -0.884 1.00 40.13 C ATOM 1861 O HIS A 119 0.615 15.779 -0.509 1.00 50.54 O ATOM 1862 CB HIS A 119 3.315 14.394 -0.517 1.00 12.02 C ATOM 1863 CG HIS A 119 3.741 15.444 0.463 1.00 22.33 C ATOM 1864 ND1 HIS A 119 3.070 16.636 0.648 1.00 14.21 N ATOM 1865 CD2 HIS A 119 4.774 15.461 1.335 1.00 53.12 C ATOM 1866 CE1 HIS A 119 3.671 17.337 1.588 1.00 3.25 C ATOM 1867 NE2 HIS A 119 4.707 16.648 2.022 1.00 23.35 N ATOM 0 H HIS A 119 2.584 12.161 -1.390 1.00 20.24 H new ATOM 0 HA HIS A 119 1.739 13.796 0.858 1.00 31.41 H new ATOM 0 HB2 HIS A 119 4.061 13.600 -0.531 1.00 12.02 H new ATOM 0 HB3 HIS A 119 3.295 14.830 -1.516 1.00 12.02 H new ATOM 0 HD1 HIS A 119 2.238 16.929 0.136 1.00 14.21 H new ATOM 0 HD2 HIS A 119 5.514 14.685 1.467 1.00 53.12 H new ATOM 0 HE1 HIS A 119 3.366 18.311 1.942 1.00 3.25 H new ATOM 1876 N ASP A 120 0.142 14.061 -1.872 1.00 14.51 N ATOM 1877 CA ASP A 120 -0.851 14.813 -2.663 1.00 73.43 C ATOM 1878 C ASP A 120 -2.297 14.517 -2.217 1.00 3.01 C ATOM 1879 O ASP A 120 -3.129 15.427 -2.132 1.00 35.31 O ATOM 1880 CB ASP A 120 -0.671 14.477 -4.153 1.00 32.54 C ATOM 1881 CG ASP A 120 -1.506 15.336 -5.090 1.00 61.03 C ATOM 1882 OD1 ASP A 120 -1.493 16.573 -4.943 1.00 61.23 O ATOM 1883 OD2 ASP A 120 -2.146 14.780 -6.007 1.00 32.33 O ATOM 0 H ASP A 120 0.248 13.086 -2.151 1.00 14.51 H new ATOM 0 HA ASP A 120 -0.680 15.877 -2.497 1.00 73.43 H new ATOM 0 HB2 ASP A 120 0.381 14.590 -4.415 1.00 32.54 H new ATOM 0 HB3 ASP A 120 -0.928 13.430 -4.312 1.00 32.54 H new ATOM 1888 N ARG A 121 -2.594 13.249 -1.923 1.00 21.52 N ATOM 1889 CA ARG A 121 -3.972 12.837 -1.597 1.00 33.21 C ATOM 1890 C ARG A 121 -4.079 12.026 -0.288 1.00 74.25 C ATOM 1891 O ARG A 121 -5.088 12.115 0.408 1.00 61.03 O ATOM 1892 CB ARG A 121 -4.578 12.063 -2.780 1.00 20.20 C ATOM 1893 CG ARG A 121 -3.616 11.081 -3.451 1.00 64.13 C ATOM 1894 CD ARG A 121 -4.231 10.438 -4.694 1.00 54.05 C ATOM 1895 NE ARG A 121 -4.795 11.440 -5.604 1.00 12.35 N ATOM 1896 CZ ARG A 121 -4.615 11.467 -6.896 1.00 25.33 C ATOM 1897 NH1 ARG A 121 -3.868 10.587 -7.487 1.00 50.13 N ATOM 1898 NH2 ARG A 121 -5.194 12.385 -7.599 1.00 30.02 N ATOM 0 H ARG A 121 -1.910 12.492 -1.902 1.00 21.52 H new ATOM 0 HA ARG A 121 -4.545 13.748 -1.424 1.00 33.21 H new ATOM 0 HB2 ARG A 121 -5.452 11.514 -2.430 1.00 20.20 H new ATOM 0 HB3 ARG A 121 -4.927 12.778 -3.525 1.00 20.20 H new ATOM 0 HG2 ARG A 121 -2.700 11.603 -3.728 1.00 64.13 H new ATOM 0 HG3 ARG A 121 -3.337 10.303 -2.740 1.00 64.13 H new ATOM 0 HD2 ARG A 121 -3.470 9.859 -5.218 1.00 54.05 H new ATOM 0 HD3 ARG A 121 -5.012 9.740 -4.393 1.00 54.05 H new ATOM 0 HE ARG A 121 -5.374 12.174 -5.195 1.00 12.35 H new ATOM 0 HH11 ARG A 121 -3.409 9.858 -6.941 1.00 50.13 H new ATOM 0 HH12 ARG A 121 -3.739 10.624 -8.498 1.00 50.13 H new ATOM 0 HH21 ARG A 121 -5.785 13.080 -7.143 1.00 30.02 H new ATOM 0 HH22 ARG A 121 -5.059 12.414 -8.610 1.00 30.02 H new ATOM 1912 N MET A 122 -3.048 11.259 0.061 1.00 14.04 N ATOM 1913 CA MET A 122 -3.068 10.467 1.305 1.00 1.50 C ATOM 1914 C MET A 122 -3.005 11.341 2.574 1.00 52.23 C ATOM 1915 O MET A 122 -3.691 11.057 3.562 1.00 53.03 O ATOM 1916 CB MET A 122 -1.913 9.456 1.328 1.00 2.52 C ATOM 1917 CG MET A 122 -2.178 8.182 0.537 1.00 53.11 C ATOM 1918 SD MET A 122 -0.829 6.996 0.706 1.00 52.42 S ATOM 1919 CE MET A 122 -1.595 5.505 0.081 1.00 73.42 C ATOM 0 H MET A 122 -2.194 11.164 -0.488 1.00 14.04 H new ATOM 0 HA MET A 122 -4.022 9.940 1.312 1.00 1.50 H new ATOM 0 HB2 MET A 122 -1.018 9.936 0.932 1.00 2.52 H new ATOM 0 HB3 MET A 122 -1.700 9.189 2.363 1.00 2.52 H new ATOM 0 HG2 MET A 122 -3.107 7.727 0.881 1.00 53.11 H new ATOM 0 HG3 MET A 122 -2.315 8.429 -0.516 1.00 53.11 H new ATOM 0 HE1 MET A 122 -0.933 4.656 0.254 1.00 73.42 H new ATOM 0 HE2 MET A 122 -2.541 5.338 0.596 1.00 73.42 H new ATOM 0 HE3 MET A 122 -1.778 5.611 -0.988 1.00 73.42 H new ATOM 1929 N ILE A 123 -2.178 12.393 2.550 1.00 72.22 N ATOM 1930 CA ILE A 123 -1.984 13.263 3.728 1.00 13.21 C ATOM 1931 C ILE A 123 -3.320 13.706 4.377 1.00 41.31 C ATOM 1932 O ILE A 123 -3.533 13.454 5.567 1.00 3.32 O ATOM 1933 CB ILE A 123 -1.120 14.513 3.395 1.00 41.10 C ATOM 1934 CG1 ILE A 123 0.289 14.102 2.939 1.00 1.10 C ATOM 1935 CG2 ILE A 123 -1.040 15.456 4.596 1.00 33.43 C ATOM 1936 CD1 ILE A 123 1.087 13.338 3.980 1.00 34.35 C ATOM 0 H ILE A 123 -1.632 12.666 1.733 1.00 72.22 H new ATOM 0 HA ILE A 123 -1.448 12.651 4.453 1.00 13.21 H new ATOM 0 HB ILE A 123 -1.603 15.043 2.574 1.00 41.10 H new ATOM 0 HG12 ILE A 123 0.203 13.488 2.042 1.00 1.10 H new ATOM 0 HG13 ILE A 123 0.843 14.998 2.660 1.00 1.10 H new ATOM 0 HG21 ILE A 123 -0.431 16.322 4.338 1.00 33.43 H new ATOM 0 HG22 ILE A 123 -2.043 15.786 4.867 1.00 33.43 H new ATOM 0 HG23 ILE A 123 -0.589 14.933 5.440 1.00 33.43 H new ATOM 0 HD11 ILE A 123 2.068 13.088 3.575 1.00 34.35 H new ATOM 0 HD12 ILE A 123 1.209 13.955 4.870 1.00 34.35 H new ATOM 0 HD13 ILE A 123 0.559 12.422 4.243 1.00 34.35 H new ATOM 1948 N PRO A 124 -4.244 14.364 3.626 1.00 12.21 N ATOM 1949 CA PRO A 124 -5.536 14.807 4.185 1.00 24.24 C ATOM 1950 C PRO A 124 -6.324 13.666 4.854 1.00 4.11 C ATOM 1951 O PRO A 124 -6.962 13.869 5.893 1.00 34.50 O ATOM 1952 CB PRO A 124 -6.300 15.367 2.968 1.00 62.13 C ATOM 1953 CG PRO A 124 -5.552 14.883 1.769 1.00 24.02 C ATOM 1954 CD PRO A 124 -4.121 14.733 2.202 1.00 13.15 C ATOM 0 HA PRO A 124 -5.393 15.541 4.978 1.00 24.24 H new ATOM 0 HB2 PRO A 124 -7.331 15.014 2.956 1.00 62.13 H new ATOM 0 HB3 PRO A 124 -6.336 16.456 2.995 1.00 62.13 H new ATOM 0 HG2 PRO A 124 -5.954 13.933 1.416 1.00 24.02 H new ATOM 0 HG3 PRO A 124 -5.637 15.591 0.945 1.00 24.02 H new ATOM 0 HD2 PRO A 124 -3.604 13.964 1.629 1.00 13.15 H new ATOM 0 HD3 PRO A 124 -3.560 15.659 2.072 1.00 13.15 H new ATOM 1962 N HIS A 125 -6.270 12.464 4.273 1.00 14.22 N ATOM 1963 CA HIS A 125 -6.939 11.298 4.868 1.00 61.42 C ATOM 1964 C HIS A 125 -6.334 10.954 6.235 1.00 62.15 C ATOM 1965 O HIS A 125 -7.049 10.854 7.235 1.00 25.01 O ATOM 1966 CB HIS A 125 -6.856 10.078 3.941 1.00 65.54 C ATOM 1967 CG HIS A 125 -7.689 10.204 2.707 1.00 50.12 C ATOM 1968 ND1 HIS A 125 -9.060 10.175 2.768 1.00 45.24 N ATOM 1969 CD2 HIS A 125 -7.306 10.347 1.420 1.00 74.44 C ATOM 1970 CE1 HIS A 125 -9.480 10.298 1.524 1.00 34.34 C ATOM 1971 NE2 HIS A 125 -8.453 10.406 0.671 1.00 31.30 N ATOM 0 H HIS A 125 -5.777 12.271 3.401 1.00 14.22 H new ATOM 0 HA HIS A 125 -7.988 11.561 5.005 1.00 61.42 H new ATOM 0 HB2 HIS A 125 -5.816 9.922 3.653 1.00 65.54 H new ATOM 0 HB3 HIS A 125 -7.171 9.192 4.492 1.00 65.54 H new ATOM 0 HD2 HIS A 125 -6.292 10.404 1.052 1.00 74.44 H new ATOM 0 HE1 HIS A 125 -10.519 10.310 1.231 1.00 34.34 H new ATOM 0 HE2 HIS A 125 -8.513 10.512 -0.342 1.00 31.30 H new ATOM 1979 N PHE A 126 -5.013 10.790 6.277 1.00 0.21 N ATOM 1980 CA PHE A 126 -4.316 10.466 7.530 1.00 61.32 C ATOM 1981 C PHE A 126 -4.539 11.554 8.596 1.00 40.14 C ATOM 1982 O PHE A 126 -4.589 11.261 9.793 1.00 51.24 O ATOM 1983 CB PHE A 126 -2.814 10.268 7.281 1.00 32.04 C ATOM 1984 CG PHE A 126 -2.494 9.155 6.308 1.00 3.14 C ATOM 1985 CD1 PHE A 126 -3.289 8.015 6.234 1.00 31.53 C ATOM 1986 CD2 PHE A 126 -1.395 9.249 5.466 1.00 51.21 C ATOM 1987 CE1 PHE A 126 -2.994 7.000 5.344 1.00 34.45 C ATOM 1988 CE2 PHE A 126 -1.096 8.236 4.575 1.00 33.34 C ATOM 1989 CZ PHE A 126 -1.898 7.110 4.514 1.00 74.04 C ATOM 0 H PHE A 126 -4.402 10.875 5.464 1.00 0.21 H new ATOM 0 HA PHE A 126 -4.736 9.533 7.906 1.00 61.32 H new ATOM 0 HB2 PHE A 126 -2.393 11.200 6.903 1.00 32.04 H new ATOM 0 HB3 PHE A 126 -2.323 10.059 8.231 1.00 32.04 H new ATOM 0 HD1 PHE A 126 -4.149 7.922 6.881 1.00 31.53 H new ATOM 0 HD2 PHE A 126 -0.765 10.125 5.508 1.00 51.21 H new ATOM 0 HE1 PHE A 126 -3.621 6.122 5.298 1.00 34.45 H new ATOM 0 HE2 PHE A 126 -0.237 8.323 3.927 1.00 33.34 H new ATOM 0 HZ PHE A 126 -1.666 6.318 3.817 1.00 74.04 H new ATOM 1999 N ARG A 127 -4.668 12.808 8.156 1.00 4.42 N ATOM 2000 CA ARG A 127 -4.986 13.922 9.063 1.00 72.10 C ATOM 2001 C ARG A 127 -6.402 13.776 9.640 1.00 64.42 C ATOM 2002 O ARG A 127 -6.630 13.981 10.833 1.00 32.12 O ATOM 2003 CB ARG A 127 -4.873 15.268 8.333 1.00 21.34 C ATOM 2004 CG ARG A 127 -3.476 15.589 7.824 1.00 63.12 C ATOM 2005 CD ARG A 127 -3.398 17.007 7.273 1.00 74.42 C ATOM 2006 NE ARG A 127 -3.837 17.988 8.264 1.00 63.40 N ATOM 2007 CZ ARG A 127 -3.030 18.726 8.975 1.00 32.10 C ATOM 2008 NH1 ARG A 127 -1.751 18.679 8.789 1.00 53.33 N ATOM 2009 NH2 ARG A 127 -3.508 19.525 9.869 1.00 74.41 N ATOM 0 H ARG A 127 -4.558 13.081 7.179 1.00 4.42 H new ATOM 0 HA ARG A 127 -4.265 13.894 9.880 1.00 72.10 H new ATOM 0 HB2 ARG A 127 -5.564 15.270 7.490 1.00 21.34 H new ATOM 0 HB3 ARG A 127 -5.192 16.062 9.008 1.00 21.34 H new ATOM 0 HG2 ARG A 127 -2.756 15.472 8.634 1.00 63.12 H new ATOM 0 HG3 ARG A 127 -3.199 14.879 7.045 1.00 63.12 H new ATOM 0 HD2 ARG A 127 -2.374 17.226 6.971 1.00 74.42 H new ATOM 0 HD3 ARG A 127 -4.018 17.087 6.380 1.00 74.42 H new ATOM 0 HE ARG A 127 -4.840 18.103 8.409 1.00 63.40 H new ATOM 0 HH11 ARG A 127 -1.361 18.059 8.079 1.00 53.33 H new ATOM 0 HH12 ARG A 127 -1.132 19.262 9.352 1.00 53.33 H new ATOM 0 HH21 ARG A 127 -4.516 19.579 10.019 1.00 74.41 H new ATOM 0 HH22 ARG A 127 -2.878 20.103 10.426 1.00 74.41 H new ATOM 2023 N SER A 128 -7.346 13.411 8.776 1.00 5.43 N ATOM 2024 CA SER A 128 -8.755 13.247 9.165 1.00 0.14 C ATOM 2025 C SER A 128 -8.991 11.945 9.954 1.00 44.05 C ATOM 2026 O SER A 128 -10.111 11.656 10.373 1.00 14.11 O ATOM 2027 CB SER A 128 -9.644 13.260 7.911 1.00 42.40 C ATOM 2028 OG SER A 128 -11.010 13.066 8.235 1.00 41.43 O ATOM 0 H SER A 128 -7.163 13.220 7.791 1.00 5.43 H new ATOM 0 HA SER A 128 -9.015 14.080 9.818 1.00 0.14 H new ATOM 0 HB2 SER A 128 -9.525 14.210 7.390 1.00 42.40 H new ATOM 0 HB3 SER A 128 -9.318 12.478 7.226 1.00 42.40 H new ATOM 0 HG SER A 128 -11.227 12.112 8.179 1.00 41.43 H new ATOM 2034 N GLY A 129 -7.928 11.163 10.155 1.00 32.31 N ATOM 2035 CA GLY A 129 -8.057 9.865 10.817 1.00 73.13 C ATOM 2036 C GLY A 129 -8.489 8.761 9.857 1.00 64.44 C ATOM 2037 O GLY A 129 -8.705 7.615 10.258 1.00 53.11 O ATOM 0 H GLY A 129 -6.978 11.403 9.872 1.00 32.31 H new ATOM 0 HA2 GLY A 129 -7.103 9.595 11.270 1.00 73.13 H new ATOM 0 HA3 GLY A 129 -8.783 9.944 11.626 1.00 73.13 H new ATOM 2041 N ASN A 130 -8.601 9.112 8.580 1.00 11.24 N ATOM 2042 CA ASN A 130 -9.031 8.180 7.535 1.00 61.14 C ATOM 2043 C ASN A 130 -7.851 7.344 7.010 1.00 13.21 C ATOM 2044 O ASN A 130 -7.588 7.318 5.807 1.00 62.25 O ATOM 2045 CB ASN A 130 -9.664 8.959 6.372 1.00 3.53 C ATOM 2046 CG ASN A 130 -10.894 9.753 6.775 1.00 33.24 C ATOM 2047 OD1 ASN A 130 -11.025 10.201 7.908 1.00 64.34 O ATOM 2048 ND2 ASN A 130 -11.802 9.943 5.842 1.00 43.25 N ATOM 0 H ASN A 130 -8.397 10.051 8.237 1.00 11.24 H new ATOM 0 HA ASN A 130 -9.765 7.501 7.970 1.00 61.14 H new ATOM 0 HB2 ASN A 130 -8.922 9.640 5.954 1.00 3.53 H new ATOM 0 HB3 ASN A 130 -9.935 8.260 5.581 1.00 3.53 H new ATOM 0 HD21 ASN A 130 -12.645 10.477 6.052 1.00 43.25 H new ATOM 0 HD22 ASN A 130 -11.663 9.557 4.908 1.00 43.25 H new ATOM 2055 N TYR A 131 -7.146 6.658 7.909 1.00 32.21 N ATOM 2056 CA TYR A 131 -6.024 5.795 7.514 1.00 64.21 C ATOM 2057 C TYR A 131 -6.475 4.745 6.486 1.00 51.12 C ATOM 2058 O TYR A 131 -5.775 4.465 5.511 1.00 71.31 O ATOM 2059 CB TYR A 131 -5.415 5.108 8.746 1.00 52.44 C ATOM 2060 CG TYR A 131 -4.723 6.070 9.700 1.00 10.12 C ATOM 2061 CD1 TYR A 131 -5.445 6.778 10.658 1.00 14.42 C ATOM 2062 CD2 TYR A 131 -3.348 6.276 9.638 1.00 33.12 C ATOM 2063 CE1 TYR A 131 -4.818 7.657 11.520 1.00 33.41 C ATOM 2064 CE2 TYR A 131 -2.718 7.153 10.495 1.00 53.34 C ATOM 2065 CZ TYR A 131 -3.455 7.839 11.433 1.00 52.43 C ATOM 2066 OH TYR A 131 -2.827 8.717 12.288 1.00 43.22 O ATOM 0 H TYR A 131 -7.328 6.680 8.912 1.00 32.21 H new ATOM 0 HA TYR A 131 -5.262 6.421 7.050 1.00 64.21 H new ATOM 0 HB2 TYR A 131 -6.203 4.580 9.284 1.00 52.44 H new ATOM 0 HB3 TYR A 131 -4.697 4.358 8.415 1.00 52.44 H new ATOM 0 HD1 TYR A 131 -6.514 6.637 10.728 1.00 14.42 H new ATOM 0 HD2 TYR A 131 -2.764 5.739 8.905 1.00 33.12 H new ATOM 0 HE1 TYR A 131 -5.393 8.198 12.257 1.00 33.41 H new ATOM 0 HE2 TYR A 131 -1.650 7.301 10.430 1.00 53.34 H new ATOM 0 HH TYR A 131 -2.160 8.235 12.820 1.00 43.22 H new ATOM 2076 N ALA A 132 -7.658 4.183 6.716 1.00 63.42 N ATOM 2077 CA ALA A 132 -8.275 3.241 5.781 1.00 73.41 C ATOM 2078 C ALA A 132 -8.509 3.877 4.400 1.00 11.21 C ATOM 2079 O ALA A 132 -8.129 3.315 3.373 1.00 51.32 O ATOM 2080 CB ALA A 132 -9.592 2.744 6.353 1.00 42.14 C ATOM 0 H ALA A 132 -8.215 4.365 7.551 1.00 63.42 H new ATOM 0 HA ALA A 132 -7.590 2.404 5.646 1.00 73.41 H new ATOM 0 HB1 ALA A 132 -10.050 2.043 5.656 1.00 42.14 H new ATOM 0 HB2 ALA A 132 -9.410 2.243 7.304 1.00 42.14 H new ATOM 0 HB3 ALA A 132 -10.262 3.589 6.511 1.00 42.14 H new ATOM 2086 N GLU A 133 -9.138 5.055 4.389 1.00 50.35 N ATOM 2087 CA GLU A 133 -9.416 5.772 3.137 1.00 41.23 C ATOM 2088 C GLU A 133 -8.126 6.130 2.389 1.00 3.20 C ATOM 2089 O GLU A 133 -8.069 6.019 1.169 1.00 60.41 O ATOM 2090 CB GLU A 133 -10.239 7.041 3.413 1.00 62.42 C ATOM 2091 CG GLU A 133 -11.680 6.765 3.833 1.00 73.12 C ATOM 2092 CD GLU A 133 -12.467 6.015 2.766 1.00 52.51 C ATOM 2093 OE1 GLU A 133 -12.859 6.644 1.757 1.00 40.42 O ATOM 2094 OE2 GLU A 133 -12.684 4.796 2.926 1.00 54.01 O ATOM 0 H GLU A 133 -9.464 5.533 5.229 1.00 50.35 H new ATOM 0 HA GLU A 133 -9.996 5.104 2.500 1.00 41.23 H new ATOM 0 HB2 GLU A 133 -9.747 7.618 4.196 1.00 62.42 H new ATOM 0 HB3 GLU A 133 -10.245 7.661 2.516 1.00 62.42 H new ATOM 0 HG2 GLU A 133 -11.681 6.184 4.755 1.00 73.12 H new ATOM 0 HG3 GLU A 133 -12.179 7.710 4.050 1.00 73.12 H new ATOM 2101 N GLY A 134 -7.092 6.544 3.124 1.00 72.02 N ATOM 2102 CA GLY A 134 -5.800 6.844 2.508 1.00 2.31 C ATOM 2103 C GLY A 134 -5.250 5.672 1.702 1.00 72.15 C ATOM 2104 O GLY A 134 -4.914 5.812 0.525 1.00 51.21 O ATOM 0 H GLY A 134 -7.123 6.678 4.135 1.00 72.02 H new ATOM 0 HA2 GLY A 134 -5.905 7.711 1.856 1.00 2.31 H new ATOM 0 HA3 GLY A 134 -5.085 7.114 3.285 1.00 2.31 H new ATOM 2108 N LEU A 135 -5.165 4.506 2.338 1.00 53.41 N ATOM 2109 CA LEU A 135 -4.748 3.279 1.647 1.00 12.11 C ATOM 2110 C LEU A 135 -5.720 2.925 0.506 1.00 61.34 C ATOM 2111 O LEU A 135 -5.303 2.560 -0.593 1.00 42.20 O ATOM 2112 CB LEU A 135 -4.668 2.106 2.636 1.00 40.42 C ATOM 2113 CG LEU A 135 -3.701 2.291 3.817 1.00 24.34 C ATOM 2114 CD1 LEU A 135 -3.710 1.058 4.718 1.00 20.41 C ATOM 2115 CD2 LEU A 135 -2.286 2.587 3.322 1.00 75.34 C ATOM 0 H LEU A 135 -5.378 4.381 3.328 1.00 53.41 H new ATOM 0 HA LEU A 135 -3.761 3.459 1.220 1.00 12.11 H new ATOM 0 HB2 LEU A 135 -5.666 1.922 3.034 1.00 40.42 H new ATOM 0 HB3 LEU A 135 -4.374 1.212 2.087 1.00 40.42 H new ATOM 0 HG LEU A 135 -4.040 3.146 4.402 1.00 24.34 H new ATOM 0 HD11 LEU A 135 -3.019 1.209 5.548 1.00 20.41 H new ATOM 0 HD12 LEU A 135 -4.716 0.899 5.107 1.00 20.41 H new ATOM 0 HD13 LEU A 135 -3.401 0.185 4.143 1.00 20.41 H new ATOM 0 HD21 LEU A 135 -1.621 2.714 4.176 1.00 75.34 H new ATOM 0 HD22 LEU A 135 -1.934 1.758 2.708 1.00 75.34 H new ATOM 0 HD23 LEU A 135 -2.292 3.501 2.728 1.00 75.34 H new ATOM 2127 N SER A 136 -7.018 3.048 0.781 1.00 4.21 N ATOM 2128 CA SER A 136 -8.067 2.688 -0.189 1.00 13.24 C ATOM 2129 C SER A 136 -7.981 3.507 -1.483 1.00 42.53 C ATOM 2130 O SER A 136 -7.957 2.946 -2.583 1.00 3.20 O ATOM 2131 CB SER A 136 -9.459 2.873 0.436 1.00 12.14 C ATOM 2132 OG SER A 136 -10.488 2.569 -0.497 1.00 12.35 O ATOM 0 H SER A 136 -7.376 3.396 1.671 1.00 4.21 H new ATOM 0 HA SER A 136 -7.907 1.641 -0.447 1.00 13.24 H new ATOM 0 HB2 SER A 136 -9.556 2.229 1.310 1.00 12.14 H new ATOM 0 HB3 SER A 136 -9.571 3.900 0.782 1.00 12.14 H new ATOM 0 HG SER A 136 -11.362 2.694 -0.072 1.00 12.35 H new ATOM 2138 N GLU A 137 -7.942 4.830 -1.354 1.00 54.32 N ATOM 2139 CA GLU A 137 -7.905 5.716 -2.521 1.00 23.44 C ATOM 2140 C GLU A 137 -6.512 5.717 -3.169 1.00 73.14 C ATOM 2141 O GLU A 137 -6.380 5.950 -4.370 1.00 34.44 O ATOM 2142 CB GLU A 137 -8.344 7.135 -2.127 1.00 62.40 C ATOM 2143 CG GLU A 137 -7.386 7.868 -1.185 1.00 14.35 C ATOM 2144 CD GLU A 137 -6.563 8.932 -1.896 1.00 52.01 C ATOM 2145 OE1 GLU A 137 -7.120 10.018 -2.180 1.00 54.23 O ATOM 2146 OE2 GLU A 137 -5.377 8.682 -2.188 1.00 52.21 O ATOM 0 H GLU A 137 -7.935 5.315 -0.457 1.00 54.32 H new ATOM 0 HA GLU A 137 -8.607 5.339 -3.265 1.00 23.44 H new ATOM 0 HB2 GLU A 137 -8.463 7.728 -3.034 1.00 62.40 H new ATOM 0 HB3 GLU A 137 -9.324 7.078 -1.653 1.00 62.40 H new ATOM 0 HG2 GLU A 137 -7.958 8.333 -0.382 1.00 14.35 H new ATOM 0 HG3 GLU A 137 -6.715 7.145 -0.721 1.00 14.35 H new ATOM 2153 N GLY A 138 -5.478 5.447 -2.368 1.00 31.22 N ATOM 2154 CA GLY A 138 -4.139 5.238 -2.912 1.00 14.23 C ATOM 2155 C GLY A 138 -4.083 4.043 -3.863 1.00 51.50 C ATOM 2156 O GLY A 138 -3.528 4.132 -4.963 1.00 4.23 O ATOM 0 H GLY A 138 -5.543 5.369 -1.353 1.00 31.22 H new ATOM 0 HA2 GLY A 138 -3.819 6.136 -3.440 1.00 14.23 H new ATOM 0 HA3 GLY A 138 -3.436 5.082 -2.093 1.00 14.23 H new ATOM 2160 N VAL A 139 -4.662 2.917 -3.430 1.00 61.44 N ATOM 2161 CA VAL A 139 -4.827 1.738 -4.293 1.00 24.15 C ATOM 2162 C VAL A 139 -5.606 2.098 -5.564 1.00 71.24 C ATOM 2163 O VAL A 139 -5.200 1.760 -6.678 1.00 31.43 O ATOM 2164 CB VAL A 139 -5.573 0.597 -3.548 1.00 14.33 C ATOM 2165 CG1 VAL A 139 -5.946 -0.538 -4.507 1.00 14.33 C ATOM 2166 CG2 VAL A 139 -4.733 0.069 -2.385 1.00 51.34 C ATOM 0 H VAL A 139 -5.026 2.796 -2.485 1.00 61.44 H new ATOM 0 HA VAL A 139 -3.829 1.394 -4.564 1.00 24.15 H new ATOM 0 HB VAL A 139 -6.497 1.010 -3.143 1.00 14.33 H new ATOM 0 HG11 VAL A 139 -6.467 -1.322 -3.958 1.00 14.33 H new ATOM 0 HG12 VAL A 139 -6.596 -0.152 -5.292 1.00 14.33 H new ATOM 0 HG13 VAL A 139 -5.041 -0.948 -4.955 1.00 14.33 H new ATOM 0 HG21 VAL A 139 -5.275 -0.729 -1.878 1.00 51.34 H new ATOM 0 HG22 VAL A 139 -3.788 -0.319 -2.765 1.00 51.34 H new ATOM 0 HG23 VAL A 139 -4.536 0.878 -1.682 1.00 51.34 H new ATOM 2176 N LEU A 140 -6.725 2.796 -5.379 1.00 20.44 N ATOM 2177 CA LEU A 140 -7.552 3.254 -6.499 1.00 13.23 C ATOM 2178 C LEU A 140 -6.746 4.150 -7.454 1.00 53.14 C ATOM 2179 O LEU A 140 -6.867 4.039 -8.671 1.00 60.11 O ATOM 2180 CB LEU A 140 -8.782 4.009 -5.972 1.00 2.05 C ATOM 2181 CG LEU A 140 -9.790 4.465 -7.044 1.00 51.44 C ATOM 2182 CD1 LEU A 140 -10.367 3.265 -7.795 1.00 23.12 C ATOM 2183 CD2 LEU A 140 -10.906 5.298 -6.414 1.00 4.34 C ATOM 0 H LEU A 140 -7.083 3.059 -4.461 1.00 20.44 H new ATOM 0 HA LEU A 140 -7.883 2.379 -7.058 1.00 13.23 H new ATOM 0 HB2 LEU A 140 -9.301 3.369 -5.259 1.00 2.05 H new ATOM 0 HB3 LEU A 140 -8.440 4.886 -5.423 1.00 2.05 H new ATOM 0 HG LEU A 140 -9.261 5.090 -7.763 1.00 51.44 H new ATOM 0 HD11 LEU A 140 -11.076 3.613 -8.546 1.00 23.12 H new ATOM 0 HD12 LEU A 140 -9.560 2.719 -8.283 1.00 23.12 H new ATOM 0 HD13 LEU A 140 -10.877 2.607 -7.092 1.00 23.12 H new ATOM 0 HD21 LEU A 140 -11.608 5.611 -7.187 1.00 4.34 H new ATOM 0 HD22 LEU A 140 -11.430 4.700 -5.669 1.00 4.34 H new ATOM 0 HD23 LEU A 140 -10.477 6.179 -5.936 1.00 4.34 H new ATOM 2195 N ALA A 141 -5.910 5.024 -6.890 1.00 73.32 N ATOM 2196 CA ALA A 141 -5.064 5.919 -7.693 1.00 74.35 C ATOM 2197 C ALA A 141 -4.145 5.119 -8.624 1.00 53.42 C ATOM 2198 O ALA A 141 -4.110 5.350 -9.834 1.00 22.44 O ATOM 2199 CB ALA A 141 -4.242 6.833 -6.786 1.00 12.41 C ATOM 0 H ALA A 141 -5.798 5.134 -5.882 1.00 73.32 H new ATOM 0 HA ALA A 141 -5.716 6.536 -8.311 1.00 74.35 H new ATOM 0 HB1 ALA A 141 -3.621 7.489 -7.397 1.00 12.41 H new ATOM 0 HB2 ALA A 141 -4.912 7.435 -6.173 1.00 12.41 H new ATOM 0 HB3 ALA A 141 -3.605 6.228 -6.141 1.00 12.41 H new ATOM 2205 N VAL A 142 -3.413 4.168 -8.050 1.00 13.23 N ATOM 2206 CA VAL A 142 -2.545 3.276 -8.826 1.00 63.14 C ATOM 2207 C VAL A 142 -3.345 2.519 -9.898 1.00 64.13 C ATOM 2208 O VAL A 142 -2.955 2.474 -11.070 1.00 62.44 O ATOM 2209 CB VAL A 142 -1.831 2.259 -7.901 1.00 54.12 C ATOM 2210 CG1 VAL A 142 -1.029 1.242 -8.712 1.00 53.50 C ATOM 2211 CG2 VAL A 142 -0.935 2.983 -6.896 1.00 5.30 C ATOM 0 H VAL A 142 -3.401 3.992 -7.045 1.00 13.23 H new ATOM 0 HA VAL A 142 -1.797 3.897 -9.318 1.00 63.14 H new ATOM 0 HB VAL A 142 -2.595 1.713 -7.348 1.00 54.12 H new ATOM 0 HG11 VAL A 142 -0.539 0.542 -8.035 1.00 53.50 H new ATOM 0 HG12 VAL A 142 -1.699 0.696 -9.376 1.00 53.50 H new ATOM 0 HG13 VAL A 142 -0.275 1.762 -9.304 1.00 53.50 H new ATOM 0 HG21 VAL A 142 -0.442 2.252 -6.255 1.00 5.30 H new ATOM 0 HG22 VAL A 142 -0.182 3.562 -7.431 1.00 5.30 H new ATOM 0 HG23 VAL A 142 -1.541 3.652 -6.284 1.00 5.30 H new ATOM 2221 N GLN A 143 -4.469 1.940 -9.484 1.00 14.03 N ATOM 2222 CA GLN A 143 -5.367 1.212 -10.392 1.00 21.44 C ATOM 2223 C GLN A 143 -5.774 2.079 -11.601 1.00 60.34 C ATOM 2224 O GLN A 143 -5.780 1.611 -12.743 1.00 74.05 O ATOM 2225 CB GLN A 143 -6.615 0.749 -9.619 1.00 42.22 C ATOM 2226 CG GLN A 143 -7.504 -0.230 -10.385 1.00 14.04 C ATOM 2227 CD GLN A 143 -8.688 -0.722 -9.561 1.00 2.32 C ATOM 2228 OE1 GLN A 143 -8.631 -0.792 -8.338 1.00 42.21 O ATOM 2229 NE2 GLN A 143 -9.767 -1.083 -10.226 1.00 4.21 N ATOM 0 H GLN A 143 -4.787 1.959 -8.515 1.00 14.03 H new ATOM 0 HA GLN A 143 -4.834 0.343 -10.778 1.00 21.44 H new ATOM 0 HB2 GLN A 143 -6.298 0.280 -8.688 1.00 42.22 H new ATOM 0 HB3 GLN A 143 -7.206 1.624 -9.350 1.00 42.22 H new ATOM 0 HG2 GLN A 143 -7.873 0.253 -11.290 1.00 14.04 H new ATOM 0 HG3 GLN A 143 -6.907 -1.085 -10.701 1.00 14.04 H new ATOM 0 HE21 GLN A 143 -9.786 -1.014 -11.243 1.00 4.21 H new ATOM 0 HE22 GLN A 143 -10.583 -1.431 -9.723 1.00 4.21 H new ATOM 2238 N GLN A 144 -6.097 3.349 -11.346 1.00 31.12 N ATOM 2239 CA GLN A 144 -6.493 4.277 -12.414 1.00 43.24 C ATOM 2240 C GLN A 144 -5.318 4.614 -13.350 1.00 53.53 C ATOM 2241 O GLN A 144 -5.516 4.833 -14.549 1.00 12.32 O ATOM 2242 CB GLN A 144 -7.078 5.567 -11.819 1.00 32.02 C ATOM 2243 CG GLN A 144 -8.348 5.348 -10.999 1.00 43.31 C ATOM 2244 CD GLN A 144 -8.922 6.638 -10.430 1.00 64.53 C ATOM 2245 OE1 GLN A 144 -8.203 7.599 -10.174 1.00 22.42 O ATOM 2246 NE2 GLN A 144 -10.220 6.662 -10.210 1.00 51.21 N ATOM 0 H GLN A 144 -6.093 3.760 -10.412 1.00 31.12 H new ATOM 0 HA GLN A 144 -7.258 3.776 -13.008 1.00 43.24 H new ATOM 0 HB2 GLN A 144 -6.325 6.038 -11.187 1.00 32.02 H new ATOM 0 HB3 GLN A 144 -7.295 6.263 -12.629 1.00 32.02 H new ATOM 0 HG2 GLN A 144 -9.100 4.868 -11.626 1.00 43.31 H new ATOM 0 HG3 GLN A 144 -8.131 4.662 -10.180 1.00 43.31 H new ATOM 0 HE21 GLN A 144 -10.790 5.846 -10.434 1.00 51.21 H new ATOM 0 HE22 GLN A 144 -10.655 7.496 -9.816 1.00 51.21 H new ATOM 2255 N VAL A 145 -4.102 4.665 -12.799 1.00 0.22 N ATOM 2256 CA VAL A 145 -2.895 4.882 -13.610 1.00 45.34 C ATOM 2257 C VAL A 145 -2.679 3.716 -14.586 1.00 3.23 C ATOM 2258 O VAL A 145 -2.589 3.911 -15.801 1.00 73.04 O ATOM 2259 CB VAL A 145 -1.629 5.039 -12.724 1.00 74.33 C ATOM 2260 CG1 VAL A 145 -0.373 5.191 -13.584 1.00 65.55 C ATOM 2261 CG2 VAL A 145 -1.771 6.225 -11.771 1.00 32.21 C ATOM 0 H VAL A 145 -3.925 4.560 -11.800 1.00 0.22 H new ATOM 0 HA VAL A 145 -3.050 5.806 -14.168 1.00 45.34 H new ATOM 0 HB VAL A 145 -1.527 4.132 -12.128 1.00 74.33 H new ATOM 0 HG11 VAL A 145 0.499 5.299 -12.939 1.00 65.55 H new ATOM 0 HG12 VAL A 145 -0.253 4.308 -14.212 1.00 65.55 H new ATOM 0 HG13 VAL A 145 -0.469 6.074 -14.215 1.00 65.55 H new ATOM 0 HG21 VAL A 145 -0.871 6.312 -11.162 1.00 32.21 H new ATOM 0 HG22 VAL A 145 -1.910 7.140 -12.347 1.00 32.21 H new ATOM 0 HG23 VAL A 145 -2.634 6.070 -11.123 1.00 32.21 H new ATOM 2271 N LEU A 146 -2.618 2.502 -14.039 1.00 13.22 N ATOM 2272 CA LEU A 146 -2.426 1.286 -14.839 1.00 43.12 C ATOM 2273 C LEU A 146 -3.462 1.185 -15.969 1.00 64.53 C ATOM 2274 O LEU A 146 -3.116 0.911 -17.119 1.00 53.41 O ATOM 2275 CB LEU A 146 -2.520 0.050 -13.933 1.00 60.33 C ATOM 2276 CG LEU A 146 -1.505 0.002 -12.777 1.00 30.23 C ATOM 2277 CD1 LEU A 146 -1.796 -1.177 -11.854 1.00 15.43 C ATOM 2278 CD2 LEU A 146 -0.076 -0.070 -13.314 1.00 4.01 C ATOM 0 H LEU A 146 -2.699 2.331 -13.037 1.00 13.22 H new ATOM 0 HA LEU A 146 -1.437 1.335 -15.295 1.00 43.12 H new ATOM 0 HB2 LEU A 146 -3.525 0.003 -13.514 1.00 60.33 H new ATOM 0 HB3 LEU A 146 -2.389 -0.841 -14.547 1.00 60.33 H new ATOM 0 HG LEU A 146 -1.604 0.920 -12.198 1.00 30.23 H new ATOM 0 HD11 LEU A 146 -1.067 -1.193 -11.044 1.00 15.43 H new ATOM 0 HD12 LEU A 146 -2.799 -1.075 -11.439 1.00 15.43 H new ATOM 0 HD13 LEU A 146 -1.730 -2.107 -12.419 1.00 15.43 H new ATOM 0 HD21 LEU A 146 0.625 -0.103 -12.480 1.00 4.01 H new ATOM 0 HD22 LEU A 146 0.040 -0.968 -13.921 1.00 4.01 H new ATOM 0 HD23 LEU A 146 0.128 0.810 -13.925 1.00 4.01 H new ATOM 2290 N ASP A 147 -4.724 1.455 -15.636 1.00 14.41 N ATOM 2291 CA ASP A 147 -5.831 1.368 -16.596 1.00 42.13 C ATOM 2292 C ASP A 147 -5.582 2.241 -17.841 1.00 35.22 C ATOM 2293 O ASP A 147 -5.919 1.853 -18.962 1.00 61.24 O ATOM 2294 CB ASP A 147 -7.134 1.780 -15.897 1.00 23.32 C ATOM 2295 CG ASP A 147 -8.360 1.645 -16.784 1.00 3.42 C ATOM 2296 OD1 ASP A 147 -8.585 0.548 -17.331 1.00 13.10 O ATOM 2297 OD2 ASP A 147 -9.112 2.635 -16.926 1.00 75.22 O ATOM 0 H ASP A 147 -5.010 1.739 -14.699 1.00 14.41 H new ATOM 0 HA ASP A 147 -5.908 0.338 -16.943 1.00 42.13 H new ATOM 0 HB2 ASP A 147 -7.270 1.167 -15.006 1.00 23.32 H new ATOM 0 HB3 ASP A 147 -7.048 2.814 -15.563 1.00 23.32 H new ATOM 2302 N GLY A 148 -4.977 3.408 -17.639 1.00 41.22 N ATOM 2303 CA GLY A 148 -4.659 4.291 -18.759 1.00 41.14 C ATOM 2304 C GLY A 148 -3.283 4.018 -19.366 1.00 62.14 C ATOM 2305 O GLY A 148 -3.020 4.371 -20.519 1.00 72.24 O ATOM 0 H GLY A 148 -4.700 3.762 -16.723 1.00 41.22 H new ATOM 0 HA2 GLY A 148 -5.419 4.176 -19.531 1.00 41.14 H new ATOM 0 HA3 GLY A 148 -4.701 5.326 -18.421 1.00 41.14 H new ATOM 2309 N SER A 149 -2.407 3.380 -18.591 1.00 2.40 N ATOM 2310 CA SER A 149 -1.025 3.116 -19.025 1.00 55.22 C ATOM 2311 C SER A 149 -0.920 1.863 -19.909 1.00 22.55 C ATOM 2312 O SER A 149 0.014 1.737 -20.701 1.00 0.30 O ATOM 2313 CB SER A 149 -0.100 2.965 -17.808 1.00 34.21 C ATOM 2314 OG SER A 149 1.259 2.825 -18.200 1.00 74.45 O ATOM 0 H SER A 149 -2.625 3.034 -17.657 1.00 2.40 H new ATOM 0 HA SER A 149 -0.712 3.973 -19.622 1.00 55.22 H new ATOM 0 HB2 SER A 149 -0.205 3.835 -17.160 1.00 34.21 H new ATOM 0 HB3 SER A 149 -0.403 2.095 -17.225 1.00 34.21 H new ATOM 0 HG SER A 149 1.840 3.199 -17.505 1.00 74.45 H new ATOM 2320 N LEU A 150 -1.869 0.936 -19.768 1.00 74.41 N ATOM 2321 CA LEU A 150 -1.875 -0.297 -20.569 1.00 11.31 C ATOM 2322 C LEU A 150 -2.161 -0.005 -22.053 1.00 14.11 C ATOM 2323 O LEU A 150 -3.297 -0.144 -22.519 1.00 1.53 O ATOM 2324 CB LEU A 150 -2.909 -1.299 -20.025 1.00 21.23 C ATOM 2325 CG LEU A 150 -2.686 -1.777 -18.580 1.00 41.51 C ATOM 2326 CD1 LEU A 150 -3.776 -2.764 -18.167 1.00 54.20 C ATOM 2327 CD2 LEU A 150 -1.299 -2.398 -18.413 1.00 34.11 C ATOM 0 H LEU A 150 -2.644 1.012 -19.109 1.00 74.41 H new ATOM 0 HA LEU A 150 -0.881 -0.737 -20.492 1.00 11.31 H new ATOM 0 HB2 LEU A 150 -3.897 -0.842 -20.088 1.00 21.23 H new ATOM 0 HB3 LEU A 150 -2.919 -2.171 -20.678 1.00 21.23 H new ATOM 0 HG LEU A 150 -2.743 -0.908 -17.924 1.00 41.51 H new ATOM 0 HD11 LEU A 150 -3.601 -3.091 -17.142 1.00 54.20 H new ATOM 0 HD12 LEU A 150 -4.750 -2.279 -18.232 1.00 54.20 H new ATOM 0 HD13 LEU A 150 -3.756 -3.628 -18.832 1.00 54.20 H new ATOM 0 HD21 LEU A 150 -1.169 -2.727 -17.382 1.00 34.11 H new ATOM 0 HD22 LEU A 150 -1.200 -3.253 -19.082 1.00 34.11 H new ATOM 0 HD23 LEU A 150 -0.537 -1.657 -18.656 1.00 34.11 H new ATOM 2339 N GLU A 151 -1.130 0.462 -22.762 1.00 74.53 N ATOM 2340 CA GLU A 151 -1.184 0.716 -24.220 1.00 72.32 C ATOM 2341 C GLU A 151 -2.012 1.963 -24.589 1.00 12.42 C ATOM 2342 O GLU A 151 -1.707 2.646 -25.567 1.00 54.11 O ATOM 2343 CB GLU A 151 -1.736 -0.511 -24.971 1.00 33.31 C ATOM 2344 CG GLU A 151 -1.985 -0.262 -26.458 1.00 30.31 C ATOM 2345 CD GLU A 151 -2.641 -1.438 -27.161 1.00 12.21 C ATOM 2346 OE1 GLU A 151 -3.807 -1.760 -26.834 1.00 23.13 O ATOM 2347 OE2 GLU A 151 -1.999 -2.039 -28.048 1.00 10.02 O ATOM 0 H GLU A 151 -0.224 0.679 -22.346 1.00 74.53 H new ATOM 0 HA GLU A 151 -0.156 0.906 -24.529 1.00 72.32 H new ATOM 0 HB2 GLU A 151 -1.034 -1.338 -24.863 1.00 33.31 H new ATOM 0 HB3 GLU A 151 -2.670 -0.822 -24.503 1.00 33.31 H new ATOM 0 HG2 GLU A 151 -2.617 0.619 -26.571 1.00 30.31 H new ATOM 0 HG3 GLU A 151 -1.036 -0.039 -26.946 1.00 30.31 H new ATOM 2354 N HIS A 152 -3.034 2.266 -23.793 1.00 21.13 N ATOM 2355 CA HIS A 152 -4.026 3.302 -24.123 1.00 50.23 C ATOM 2356 C HIS A 152 -3.389 4.658 -24.510 1.00 51.35 C ATOM 2357 O HIS A 152 -3.990 5.439 -25.246 1.00 41.31 O ATOM 2358 CB HIS A 152 -4.987 3.484 -22.939 1.00 10.42 C ATOM 2359 CG HIS A 152 -6.245 4.229 -23.284 1.00 2.14 C ATOM 2360 ND1 HIS A 152 -7.414 3.595 -23.643 1.00 15.03 N ATOM 2361 CD2 HIS A 152 -6.517 5.556 -23.320 1.00 12.32 C ATOM 2362 CE1 HIS A 152 -8.346 4.493 -23.886 1.00 75.53 C ATOM 2363 NE2 HIS A 152 -7.829 5.688 -23.697 1.00 41.33 N ATOM 0 H HIS A 152 -3.203 1.804 -22.900 1.00 21.13 H new ATOM 0 HA HIS A 152 -4.569 2.958 -25.003 1.00 50.23 H new ATOM 0 HB2 HIS A 152 -5.254 2.503 -22.546 1.00 10.42 H new ATOM 0 HB3 HIS A 152 -4.468 4.016 -22.142 1.00 10.42 H new ATOM 0 HD2 HIS A 152 -5.830 6.358 -23.094 1.00 12.32 H new ATOM 0 HE1 HIS A 152 -9.361 4.284 -24.189 1.00 75.53 H new ATOM 0 HE2 HIS A 152 -8.325 6.572 -23.812 1.00 41.33 H new ATOM 2372 N HIS A 153 -2.185 4.943 -24.009 1.00 32.35 N ATOM 2373 CA HIS A 153 -1.494 6.198 -24.347 1.00 51.53 C ATOM 2374 C HIS A 153 -1.049 6.208 -25.826 1.00 64.02 C ATOM 2375 O HIS A 153 -1.016 7.259 -26.469 1.00 52.13 O ATOM 2376 CB HIS A 153 -0.286 6.419 -23.422 1.00 15.14 C ATOM 2377 CG HIS A 153 0.282 7.809 -23.487 1.00 42.23 C ATOM 2378 ND1 HIS A 153 0.187 8.706 -22.446 1.00 0.03 N ATOM 2379 CD2 HIS A 153 0.959 8.453 -24.469 1.00 51.32 C ATOM 2380 CE1 HIS A 153 0.776 9.836 -22.782 1.00 51.51 C ATOM 2381 NE2 HIS A 153 1.251 9.710 -24.003 1.00 10.32 N ATOM 0 H HIS A 153 -1.670 4.332 -23.375 1.00 32.35 H new ATOM 0 HA HIS A 153 -2.198 7.017 -24.200 1.00 51.53 H new ATOM 0 HB2 HIS A 153 -0.583 6.206 -22.395 1.00 15.14 H new ATOM 0 HB3 HIS A 153 0.495 5.705 -23.683 1.00 15.14 H new ATOM 0 HD2 HIS A 153 1.220 8.052 -25.437 1.00 51.32 H new ATOM 0 HE1 HIS A 153 0.855 10.716 -22.161 1.00 51.51 H new ATOM 0 HE2 HIS A 153 1.755 10.431 -24.520 1.00 10.32 H new ATOM 2390 N HIS A 154 -0.706 5.034 -26.356 1.00 12.45 N ATOM 2391 CA HIS A 154 -0.319 4.896 -27.766 1.00 33.00 C ATOM 2392 C HIS A 154 -1.538 4.496 -28.617 1.00 35.24 C ATOM 2393 O HIS A 154 -1.819 3.313 -28.812 1.00 10.52 O ATOM 2394 CB HIS A 154 0.808 3.859 -27.911 1.00 23.23 C ATOM 2395 CG HIS A 154 1.407 3.803 -29.287 1.00 60.12 C ATOM 2396 ND1 HIS A 154 1.300 2.707 -30.116 1.00 12.43 N ATOM 2397 CD2 HIS A 154 2.135 4.717 -29.977 1.00 23.33 C ATOM 2398 CE1 HIS A 154 1.931 2.948 -31.249 1.00 4.50 C ATOM 2399 NE2 HIS A 154 2.444 4.157 -31.191 1.00 14.51 N ATOM 0 H HIS A 154 -0.687 4.160 -25.830 1.00 12.45 H new ATOM 0 HA HIS A 154 0.050 5.857 -28.124 1.00 33.00 H new ATOM 0 HB2 HIS A 154 1.594 4.088 -27.192 1.00 23.23 H new ATOM 0 HB3 HIS A 154 0.418 2.874 -27.654 1.00 23.23 H new ATOM 0 HD2 HIS A 154 2.418 5.701 -29.635 1.00 23.33 H new ATOM 0 HE1 HIS A 154 2.012 2.267 -32.083 1.00 4.50 H new ATOM 0 HE2 HIS A 154 2.985 4.607 -31.930 1.00 14.51 H new ATOM 2408 N HIS A 155 -2.256 5.499 -29.113 1.00 4.11 N ATOM 2409 CA HIS A 155 -3.536 5.288 -29.802 1.00 13.55 C ATOM 2410 C HIS A 155 -3.356 4.671 -31.205 1.00 51.53 C ATOM 2411 O HIS A 155 -2.700 5.249 -32.071 1.00 14.32 O ATOM 2412 CB HIS A 155 -4.279 6.629 -29.896 1.00 34.31 C ATOM 2413 CG HIS A 155 -5.632 6.538 -30.533 1.00 0.11 C ATOM 2414 ND1 HIS A 155 -6.787 6.274 -29.827 1.00 65.12 N ATOM 2415 CD2 HIS A 155 -6.015 6.690 -31.822 1.00 44.33 C ATOM 2416 CE1 HIS A 155 -7.814 6.266 -30.651 1.00 52.42 C ATOM 2417 NE2 HIS A 155 -7.375 6.516 -31.862 1.00 13.22 N ATOM 0 H HIS A 155 -1.974 6.477 -29.052 1.00 4.11 H new ATOM 0 HA HIS A 155 -4.120 4.574 -29.222 1.00 13.55 H new ATOM 0 HB2 HIS A 155 -4.389 7.042 -28.893 1.00 34.31 H new ATOM 0 HB3 HIS A 155 -3.669 7.331 -30.464 1.00 34.31 H new ATOM 0 HD2 HIS A 155 -5.371 6.907 -32.661 1.00 44.33 H new ATOM 0 HE1 HIS A 155 -8.843 6.085 -30.377 1.00 52.42 H new ATOM 0 HE2 HIS A 155 -7.953 6.572 -32.700 1.00 13.22 H new ATOM 2426 N HIS A 156 -3.962 3.502 -31.423 1.00 1.32 N ATOM 2427 CA HIS A 156 -3.909 2.825 -32.727 1.00 3.21 C ATOM 2428 C HIS A 156 -4.967 3.381 -33.700 1.00 63.10 C ATOM 2429 O HIS A 156 -6.109 2.917 -33.710 1.00 3.32 O ATOM 2430 CB HIS A 156 -4.115 1.311 -32.553 1.00 1.24 C ATOM 2431 CG HIS A 156 -3.039 0.626 -31.762 1.00 10.20 C ATOM 2432 ND1 HIS A 156 -2.109 -0.212 -32.335 1.00 14.21 N ATOM 2433 CD2 HIS A 156 -2.766 0.627 -30.434 1.00 31.55 C ATOM 2434 CE1 HIS A 156 -1.315 -0.694 -31.404 1.00 64.31 C ATOM 2435 NE2 HIS A 156 -1.688 -0.204 -30.239 1.00 54.35 N ATOM 0 H HIS A 156 -4.497 3.001 -30.714 1.00 1.32 H new ATOM 0 HA HIS A 156 -2.923 3.013 -33.152 1.00 3.21 H new ATOM 0 HB2 HIS A 156 -5.074 1.141 -32.063 1.00 1.24 H new ATOM 0 HB3 HIS A 156 -4.175 0.849 -33.538 1.00 1.24 H new ATOM 0 HD2 HIS A 156 -3.296 1.178 -29.671 1.00 31.55 H new ATOM 0 HE1 HIS A 156 -0.495 -1.377 -31.567 1.00 64.31 H new ATOM 0 HE2 HIS A 156 -1.249 -0.408 -29.341 1.00 54.35 H new ATOM 2444 N HIS A 157 -4.567 4.381 -34.504 1.00 54.45 N ATOM 2445 CA HIS A 157 -5.433 5.019 -35.530 1.00 34.11 C ATOM 2446 C HIS A 157 -6.933 5.119 -35.133 1.00 21.21 C ATOM 2447 O HIS A 157 -7.723 4.211 -35.474 1.00 36.74 O ATOM 2448 CB HIS A 157 -5.265 4.331 -36.906 1.00 3.01 C ATOM 2449 CG HIS A 157 -5.315 2.828 -36.889 1.00 14.21 C ATOM 2450 ND1 HIS A 157 -6.381 2.106 -36.400 1.00 72.54 N ATOM 2451 CD2 HIS A 157 -4.420 1.913 -37.325 1.00 2.43 C ATOM 2452 CE1 HIS A 157 -6.142 0.820 -36.535 1.00 24.30 C ATOM 2453 NE2 HIS A 157 -4.960 0.671 -37.095 1.00 70.21 N ATOM 2454 OXT HIS A 157 -7.319 6.126 -34.509 1.00 36.74 O ATOM 0 H HIS A 157 -3.628 4.778 -34.466 1.00 54.45 H new ATOM 0 HA HIS A 157 -5.085 6.049 -35.602 1.00 34.11 H new ATOM 0 HB2 HIS A 157 -6.046 4.696 -37.573 1.00 3.01 H new ATOM 0 HB3 HIS A 157 -4.311 4.641 -37.333 1.00 3.01 H new ATOM 0 HD1 HIS A 157 -7.227 2.507 -35.995 1.00 72.54 H new ATOM 0 HD2 HIS A 157 -3.459 2.120 -37.771 1.00 2.43 H new ATOM 0 HE1 HIS A 157 -6.804 0.021 -36.237 1.00 24.30 H new TER 2463 HIS A 157