USER MOD reduce.3.24.130724 H: found=0, std=0, add=976, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 971 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 65 CYS SG : rot -98:sc= 1.03 USER MOD Set 1.2: A 70 THR OG1 : rot -176:sc= -0.475 USER MOD Set 2.1: A 61 THR OG1 : rot 75:sc= 0.821 USER MOD Set 2.2: A 62 HIS : no HD1:sc= -12.7! C(o=-12!,f=-21!) USER MOD Set 3.1: A 57 THR OG1 : rot 150:sc= 0.128 USER MOD Set 3.2: A 60 SER OG : rot 61:sc= -0.877 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 34:sc= 0.401 USER MOD Single : A 5 SER OG : rot 19:sc= 0.985 USER MOD Single : A 6 SER OG : rot 180:sc=0.000477 USER MOD Single : A 21 LYS NZ :NH3+ -130:sc= 0.941 (180deg=0.297!) USER MOD Single : A 24 GLN : amide:sc= -3.18! C(o=-3.2!,f=-3.8!) USER MOD Single : A 31 SER OG : rot -130:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 35 ASN : amide:sc= -0.54 K(o=-0.54,f=-2.7!) USER MOD Single : A 39 SER OG : rot -72:sc= 1 USER MOD Single : A 44 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.287) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.0492 X(o=-0.049,f=-0.49) USER MOD Single : A 72 LYS NZ :NH3+ -164:sc= -0.379 (180deg=-0.689) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.372 X(o=-0.37,f=-0.0066) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 CYS SG : rot 100:sc= 0.0171 USER MOD Single : A 93 HIS : no HD1:sc= -2.7 K(o=-2.7,f=-1.9) USER MOD Single : A 95 MET CE :methyl -177:sc= 0 (180deg=-0.0198) USER MOD Single : A 101 SER OG : rot -160:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 MET CE :methyl 179:sc= 0 (180deg=-0.000154) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 HIS : no HD1:sc= -0.202 X(o=-0.2,f=0) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= -0.0128 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.703 29.211 -14.931 1.00 0.00 N ATOM 2 CA GLY A 1 -9.655 30.301 -15.034 1.00 0.00 C ATOM 3 C GLY A 1 -9.843 31.033 -13.720 1.00 0.00 C ATOM 4 O GLY A 1 -9.178 32.035 -13.460 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.610 28.743 -15.855 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.778 29.585 -14.638 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.038 28.523 -14.227 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.315 31.005 -15.793 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.616 29.910 -15.369 1.00 0.00 H new ATOM 8 N SER A 2 -10.753 30.532 -12.891 1.00 0.00 N ATOM 9 CA SER A 2 -11.031 31.148 -11.599 1.00 0.00 C ATOM 10 C SER A 2 -9.798 31.108 -10.701 1.00 0.00 C ATOM 11 O SER A 2 -8.969 30.204 -10.808 1.00 0.00 O ATOM 12 CB SER A 2 -12.199 30.439 -10.912 1.00 0.00 C ATOM 13 OG SER A 2 -12.865 31.307 -10.011 1.00 0.00 O ATOM 0 H SER A 2 -11.310 29.701 -13.091 1.00 0.00 H new ATOM 0 HA SER A 2 -11.299 32.190 -11.772 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.903 30.080 -11.663 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.832 29.564 -10.375 1.00 0.00 H new ATOM 0 HG SER A 2 -13.608 30.830 -9.586 1.00 0.00 H new ATOM 19 N SER A 3 -9.685 32.094 -9.817 1.00 0.00 N ATOM 20 CA SER A 3 -8.551 32.174 -8.903 1.00 0.00 C ATOM 21 C SER A 3 -8.910 32.990 -7.664 1.00 0.00 C ATOM 22 O SER A 3 -9.359 34.130 -7.766 1.00 0.00 O ATOM 23 CB SER A 3 -7.345 32.798 -9.606 1.00 0.00 C ATOM 24 OG SER A 3 -6.552 31.806 -10.235 1.00 0.00 O ATOM 0 H SER A 3 -10.364 32.848 -9.714 1.00 0.00 H new ATOM 0 HA SER A 3 -8.296 31.162 -8.590 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.686 33.520 -10.348 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.741 33.346 -8.882 1.00 0.00 H new ATOM 0 HG SER A 3 -7.130 31.088 -10.569 1.00 0.00 H new ATOM 30 N GLY A 4 -8.707 32.395 -6.492 1.00 0.00 N ATOM 31 CA GLY A 4 -9.014 33.079 -5.250 1.00 0.00 C ATOM 32 C GLY A 4 -8.968 32.152 -4.051 1.00 0.00 C ATOM 33 O GLY A 4 -9.664 31.137 -4.016 1.00 0.00 O ATOM 0 H GLY A 4 -8.335 31.452 -6.381 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.305 33.894 -5.103 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.005 33.527 -5.321 1.00 0.00 H new ATOM 37 N SER A 5 -8.146 32.501 -3.067 1.00 0.00 N ATOM 38 CA SER A 5 -8.008 31.690 -1.863 1.00 0.00 C ATOM 39 C SER A 5 -8.606 32.404 -0.655 1.00 0.00 C ATOM 40 O SER A 5 -8.117 33.453 -0.235 1.00 0.00 O ATOM 41 CB SER A 5 -6.535 31.371 -1.603 1.00 0.00 C ATOM 42 OG SER A 5 -5.830 32.526 -1.181 1.00 0.00 O ATOM 0 H SER A 5 -7.566 33.340 -3.080 1.00 0.00 H new ATOM 0 HA SER A 5 -8.552 30.758 -2.019 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.457 30.595 -0.842 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.080 30.975 -2.511 1.00 0.00 H new ATOM 0 HG SER A 5 -6.466 33.199 -0.860 1.00 0.00 H new ATOM 48 N SER A 6 -9.669 31.829 -0.101 1.00 0.00 N ATOM 49 CA SER A 6 -10.337 32.411 1.057 1.00 0.00 C ATOM 50 C SER A 6 -9.333 32.733 2.159 1.00 0.00 C ATOM 51 O SER A 6 -9.331 33.833 2.711 1.00 0.00 O ATOM 52 CB SER A 6 -11.407 31.456 1.589 1.00 0.00 C ATOM 53 OG SER A 6 -12.264 31.019 0.548 1.00 0.00 O ATOM 0 H SER A 6 -10.086 30.960 -0.436 1.00 0.00 H new ATOM 0 HA SER A 6 -10.813 33.339 0.741 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.930 30.595 2.057 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.993 31.955 2.361 1.00 0.00 H new ATOM 0 HG SER A 6 -12.938 30.409 0.914 1.00 0.00 H new ATOM 59 N GLY A 7 -8.479 31.764 2.475 1.00 0.00 N ATOM 60 CA GLY A 7 -7.482 31.962 3.510 1.00 0.00 C ATOM 61 C GLY A 7 -7.205 30.697 4.299 1.00 0.00 C ATOM 62 O GLY A 7 -7.539 30.610 5.480 1.00 0.00 O ATOM 0 H GLY A 7 -8.460 30.845 2.032 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.556 32.313 3.055 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.819 32.744 4.190 1.00 0.00 H new ATOM 66 N GLU A 8 -6.595 29.715 3.644 1.00 0.00 N ATOM 67 CA GLU A 8 -6.277 28.448 4.293 1.00 0.00 C ATOM 68 C GLU A 8 -5.458 28.676 5.560 1.00 0.00 C ATOM 69 O GLU A 8 -4.677 29.622 5.663 1.00 0.00 O ATOM 70 CB GLU A 8 -5.508 27.537 3.333 1.00 0.00 C ATOM 71 CG GLU A 8 -6.393 26.848 2.308 1.00 0.00 C ATOM 72 CD GLU A 8 -6.731 27.744 1.132 1.00 0.00 C ATOM 73 OE1 GLU A 8 -5.798 28.154 0.412 1.00 0.00 O ATOM 74 OE2 GLU A 8 -7.929 28.035 0.934 1.00 0.00 O ATOM 0 H GLU A 8 -6.311 29.772 2.666 1.00 0.00 H new ATOM 0 HA GLU A 8 -7.214 27.965 4.569 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.754 28.127 2.812 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.978 26.780 3.910 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -5.891 25.951 1.944 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -7.315 26.524 2.790 1.00 0.00 H new ATOM 81 N PRO A 9 -5.641 27.789 6.549 1.00 0.00 N ATOM 82 CA PRO A 9 -4.929 27.871 7.828 1.00 0.00 C ATOM 83 C PRO A 9 -3.444 27.555 7.686 1.00 0.00 C ATOM 84 O PRO A 9 -2.993 27.111 6.631 1.00 0.00 O ATOM 85 CB PRO A 9 -5.622 26.812 8.689 1.00 0.00 C ATOM 86 CG PRO A 9 -6.180 25.836 7.711 1.00 0.00 C ATOM 87 CD PRO A 9 -6.556 26.636 6.495 1.00 0.00 C ATOM 0 HA PRO A 9 -4.966 28.875 8.252 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.918 26.332 9.370 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -6.409 27.252 9.302 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -5.446 25.070 7.462 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -7.048 25.323 8.124 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -6.424 26.061 5.579 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -7.600 26.949 6.527 1.00 0.00 H new ATOM 95 N ARG A 10 -2.690 27.787 8.756 1.00 0.00 N ATOM 96 CA ARG A 10 -1.255 27.527 8.750 1.00 0.00 C ATOM 97 C ARG A 10 -0.932 26.242 9.505 1.00 0.00 C ATOM 98 O ARG A 10 -1.020 26.192 10.732 1.00 0.00 O ATOM 99 CB ARG A 10 -0.500 28.702 9.375 1.00 0.00 C ATOM 100 CG ARG A 10 -1.152 29.242 10.638 1.00 0.00 C ATOM 101 CD ARG A 10 -2.153 30.341 10.321 1.00 0.00 C ATOM 102 NE ARG A 10 -1.532 31.663 10.316 1.00 0.00 N ATOM 103 CZ ARG A 10 -1.161 32.305 11.418 1.00 0.00 C ATOM 104 NH1 ARG A 10 -1.347 31.749 12.607 1.00 0.00 N ATOM 105 NH2 ARG A 10 -0.602 33.505 11.332 1.00 0.00 N ATOM 0 H ARG A 10 -3.049 28.154 9.637 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.937 27.409 7.714 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.517 28.387 9.608 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -0.425 29.506 8.643 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.655 28.431 11.165 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.385 29.629 11.308 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.605 30.149 9.348 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.958 30.321 11.056 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.375 32.118 9.417 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.776 30.826 12.677 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.061 32.244 13.452 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -0.457 33.936 10.419 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.318 33.997 12.179 1.00 0.00 H new ATOM 119 N ARG A 11 -0.559 25.204 8.763 1.00 0.00 N ATOM 120 CA ARG A 11 -0.225 23.917 9.363 1.00 0.00 C ATOM 121 C ARG A 11 1.282 23.787 9.565 1.00 0.00 C ATOM 122 O ARG A 11 2.081 24.099 8.682 1.00 0.00 O ATOM 123 CB ARG A 11 -0.732 22.774 8.482 1.00 0.00 C ATOM 124 CG ARG A 11 -0.911 21.463 9.231 1.00 0.00 C ATOM 125 CD ARG A 11 -2.080 21.530 10.201 1.00 0.00 C ATOM 126 NE ARG A 11 -2.277 20.268 10.909 1.00 0.00 N ATOM 127 CZ ARG A 11 -3.119 20.119 11.925 1.00 0.00 C ATOM 128 NH1 ARG A 11 -3.840 21.148 12.349 1.00 0.00 N ATOM 129 NH2 ARG A 11 -3.243 18.939 12.519 1.00 0.00 N ATOM 0 H ARG A 11 -0.480 25.229 7.746 1.00 0.00 H new ATOM 0 HA ARG A 11 -0.711 23.860 10.337 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -1.685 23.063 8.039 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -0.032 22.621 7.661 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.074 20.655 8.518 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.003 21.227 9.777 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.906 22.328 10.923 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -2.989 21.786 9.656 1.00 0.00 H new ATOM 0 HE ARG A 11 -1.738 19.456 10.606 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -3.749 22.057 11.895 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -4.486 21.031 13.130 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -2.691 18.145 12.195 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -3.890 18.826 13.299 1.00 0.00 H new ATOM 143 N PRO A 12 1.680 23.316 10.757 1.00 0.00 N ATOM 144 CA PRO A 12 3.093 23.134 11.104 1.00 0.00 C ATOM 145 C PRO A 12 3.738 21.992 10.326 1.00 0.00 C ATOM 146 O PRO A 12 4.962 21.911 10.226 1.00 0.00 O ATOM 147 CB PRO A 12 3.052 22.808 12.599 1.00 0.00 C ATOM 148 CG PRO A 12 1.699 22.226 12.822 1.00 0.00 C ATOM 149 CD PRO A 12 0.782 22.925 11.856 1.00 0.00 C ATOM 0 HA PRO A 12 3.689 24.014 10.863 1.00 0.00 H new ATOM 0 HB2 PRO A 12 3.837 22.102 12.872 1.00 0.00 H new ATOM 0 HB3 PRO A 12 3.203 23.702 13.204 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.703 21.150 12.647 1.00 0.00 H new ATOM 0 HG3 PRO A 12 1.373 22.380 13.851 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.014 22.266 11.509 1.00 0.00 H new ATOM 0 HD3 PRO A 12 0.303 23.792 12.312 1.00 0.00 H new ATOM 157 N ARG A 13 2.907 21.112 9.778 1.00 0.00 N ATOM 158 CA ARG A 13 3.397 19.974 9.010 1.00 0.00 C ATOM 159 C ARG A 13 4.458 20.412 8.005 1.00 0.00 C ATOM 160 O ARG A 13 4.712 21.604 7.836 1.00 0.00 O ATOM 161 CB ARG A 13 2.241 19.287 8.281 1.00 0.00 C ATOM 162 CG ARG A 13 1.306 18.523 9.204 1.00 0.00 C ATOM 163 CD ARG A 13 1.776 17.092 9.413 1.00 0.00 C ATOM 164 NE ARG A 13 2.750 16.989 10.496 1.00 0.00 N ATOM 165 CZ ARG A 13 2.456 17.206 11.773 1.00 0.00 C ATOM 166 NH1 ARG A 13 1.221 17.535 12.125 1.00 0.00 N ATOM 167 NH2 ARG A 13 3.398 17.092 12.701 1.00 0.00 N ATOM 0 H ARG A 13 1.891 21.165 9.852 1.00 0.00 H new ATOM 0 HA ARG A 13 3.850 19.267 9.705 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.668 20.038 7.738 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.648 18.599 7.540 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.247 19.032 10.166 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.301 18.519 8.783 1.00 0.00 H new ATOM 0 HD2 ARG A 13 0.918 16.457 9.635 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.219 16.717 8.490 1.00 0.00 H new ATOM 0 HE ARG A 13 3.709 16.736 10.259 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.494 17.622 11.415 1.00 0.00 H new ATOM 0 HH12 ARG A 13 0.998 17.701 13.106 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.349 16.838 12.434 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.171 17.259 13.681 1.00 0.00 H new ATOM 181 N ALA A 14 5.075 19.440 7.341 1.00 0.00 N ATOM 182 CA ALA A 14 6.107 19.725 6.352 1.00 0.00 C ATOM 183 C ALA A 14 5.493 20.017 4.987 1.00 0.00 C ATOM 184 O ALA A 14 6.075 19.694 3.952 1.00 0.00 O ATOM 185 CB ALA A 14 7.083 18.562 6.257 1.00 0.00 C ATOM 0 H ALA A 14 4.878 18.448 7.470 1.00 0.00 H new ATOM 0 HA ALA A 14 6.649 20.614 6.675 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.848 18.789 5.515 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.554 18.402 7.227 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.547 17.660 5.961 1.00 0.00 H new ATOM 191 N GLY A 15 4.313 20.629 4.992 1.00 0.00 N ATOM 192 CA GLY A 15 3.639 20.953 3.748 1.00 0.00 C ATOM 193 C GLY A 15 3.259 19.717 2.956 1.00 0.00 C ATOM 194 O GLY A 15 3.961 18.705 2.969 1.00 0.00 O ATOM 0 H GLY A 15 3.811 20.906 5.836 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.741 21.532 3.965 1.00 0.00 H new ATOM 0 HA3 GLY A 15 4.287 21.585 3.141 1.00 0.00 H new ATOM 198 N PRO A 16 2.123 19.790 2.248 1.00 0.00 N ATOM 199 CA PRO A 16 1.624 18.677 1.434 1.00 0.00 C ATOM 200 C PRO A 16 2.489 18.425 0.204 1.00 0.00 C ATOM 201 O PRO A 16 2.228 17.507 -0.572 1.00 0.00 O ATOM 202 CB PRO A 16 0.226 19.140 1.019 1.00 0.00 C ATOM 203 CG PRO A 16 0.289 20.628 1.069 1.00 0.00 C ATOM 204 CD PRO A 16 1.237 20.964 2.187 1.00 0.00 C ATOM 0 HA PRO A 16 1.630 17.736 1.983 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.027 18.788 0.019 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.536 18.753 1.695 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.642 21.036 0.122 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.697 21.055 1.252 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.794 21.878 1.980 1.00 0.00 H new ATOM 0 HD3 PRO A 16 0.709 21.119 3.128 1.00 0.00 H new ATOM 212 N GLU A 17 3.521 19.247 0.034 1.00 0.00 N ATOM 213 CA GLU A 17 4.424 19.112 -1.103 1.00 0.00 C ATOM 214 C GLU A 17 5.318 17.885 -0.945 1.00 0.00 C ATOM 215 O GLU A 17 5.212 16.926 -1.708 1.00 0.00 O ATOM 216 CB GLU A 17 5.284 20.368 -1.252 1.00 0.00 C ATOM 217 CG GLU A 17 6.428 20.210 -2.239 1.00 0.00 C ATOM 218 CD GLU A 17 5.987 20.396 -3.678 1.00 0.00 C ATOM 219 OE1 GLU A 17 6.001 21.549 -4.157 1.00 0.00 O ATOM 220 OE2 GLU A 17 5.628 19.390 -4.324 1.00 0.00 O ATOM 0 H GLU A 17 3.752 20.012 0.668 1.00 0.00 H new ATOM 0 HA GLU A 17 3.820 18.986 -2.001 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.651 21.195 -1.572 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.691 20.637 -0.277 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.207 20.935 -2.005 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.869 19.220 -2.123 1.00 0.00 H new ATOM 227 N GLU A 18 6.199 17.927 0.050 1.00 0.00 N ATOM 228 CA GLU A 18 7.112 16.820 0.307 1.00 0.00 C ATOM 229 C GLU A 18 6.425 15.479 0.065 1.00 0.00 C ATOM 230 O GLU A 18 6.849 14.695 -0.785 1.00 0.00 O ATOM 231 CB GLU A 18 7.636 16.884 1.744 1.00 0.00 C ATOM 232 CG GLU A 18 8.729 17.919 1.947 1.00 0.00 C ATOM 233 CD GLU A 18 9.901 17.722 1.005 1.00 0.00 C ATOM 234 OE1 GLU A 18 9.816 18.182 -0.153 1.00 0.00 O ATOM 235 OE2 GLU A 18 10.903 17.108 1.426 1.00 0.00 O ATOM 0 H GLU A 18 6.299 18.715 0.690 1.00 0.00 H new ATOM 0 HA GLU A 18 7.951 16.909 -0.383 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.806 17.108 2.415 1.00 0.00 H new ATOM 0 HB3 GLU A 18 8.019 15.903 2.026 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.313 18.915 1.799 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.083 17.871 2.977 1.00 0.00 H new ATOM 242 N LEU A 19 5.361 15.222 0.817 1.00 0.00 N ATOM 243 CA LEU A 19 4.613 13.976 0.686 1.00 0.00 C ATOM 244 C LEU A 19 4.016 13.845 -0.711 1.00 0.00 C ATOM 245 O LEU A 19 4.128 12.800 -1.350 1.00 0.00 O ATOM 246 CB LEU A 19 3.503 13.911 1.736 1.00 0.00 C ATOM 247 CG LEU A 19 3.961 13.811 3.191 1.00 0.00 C ATOM 248 CD1 LEU A 19 4.139 15.197 3.791 1.00 0.00 C ATOM 249 CD2 LEU A 19 2.967 12.998 4.008 1.00 0.00 C ATOM 0 H LEU A 19 4.996 15.860 1.524 1.00 0.00 H new ATOM 0 HA LEU A 19 5.303 13.148 0.846 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.880 14.799 1.632 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.871 13.051 1.515 1.00 0.00 H new ATOM 0 HG LEU A 19 4.924 13.301 3.215 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.465 15.106 4.827 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.889 15.746 3.222 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.191 15.734 3.755 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.309 12.937 5.041 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.990 13.480 3.977 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.889 11.994 3.592 1.00 0.00 H new ATOM 261 N GLY A 20 3.381 14.915 -1.181 1.00 0.00 N ATOM 262 CA GLY A 20 2.777 14.899 -2.501 1.00 0.00 C ATOM 263 C GLY A 20 3.749 14.460 -3.578 1.00 0.00 C ATOM 264 O GLY A 20 3.344 14.128 -4.692 1.00 0.00 O ATOM 0 H GLY A 20 3.274 15.792 -0.671 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.918 14.228 -2.496 1.00 0.00 H new ATOM 0 HA3 GLY A 20 2.402 15.895 -2.738 1.00 0.00 H new ATOM 268 N LYS A 21 5.035 14.461 -3.247 1.00 0.00 N ATOM 269 CA LYS A 21 6.069 14.061 -4.195 1.00 0.00 C ATOM 270 C LYS A 21 6.519 12.627 -3.936 1.00 0.00 C ATOM 271 O LYS A 21 7.102 11.983 -4.808 1.00 0.00 O ATOM 272 CB LYS A 21 7.269 15.007 -4.101 1.00 0.00 C ATOM 273 CG LYS A 21 6.908 16.469 -4.303 1.00 0.00 C ATOM 274 CD LYS A 21 6.651 16.783 -5.767 1.00 0.00 C ATOM 275 CE LYS A 21 5.180 16.628 -6.121 1.00 0.00 C ATOM 276 NZ LYS A 21 4.429 17.901 -5.943 1.00 0.00 N ATOM 0 H LYS A 21 5.387 14.734 -2.329 1.00 0.00 H new ATOM 0 HA LYS A 21 5.647 14.116 -5.199 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.739 14.889 -3.124 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.009 14.718 -4.847 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.021 16.710 -3.717 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.716 17.099 -3.931 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.973 17.802 -5.984 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.249 16.120 -6.393 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.089 16.294 -7.155 1.00 0.00 H new ATOM 0 HE3 LYS A 21 4.736 15.854 -5.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.574 17.723 -5.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.030 18.593 -5.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.158 18.277 -6.874 1.00 0.00 H new ATOM 290 N ILE A 22 6.242 12.133 -2.734 1.00 0.00 N ATOM 291 CA ILE A 22 6.616 10.774 -2.363 1.00 0.00 C ATOM 292 C ILE A 22 5.897 9.748 -3.234 1.00 0.00 C ATOM 293 O ILE A 22 6.532 8.941 -3.913 1.00 0.00 O ATOM 294 CB ILE A 22 6.298 10.486 -0.883 1.00 0.00 C ATOM 295 CG1 ILE A 22 7.047 11.467 0.021 1.00 0.00 C ATOM 296 CG2 ILE A 22 6.660 9.051 -0.533 1.00 0.00 C ATOM 297 CD1 ILE A 22 6.706 11.318 1.487 1.00 0.00 C ATOM 0 H ILE A 22 5.760 12.653 -2.001 1.00 0.00 H new ATOM 0 HA ILE A 22 7.692 10.690 -2.519 1.00 0.00 H new ATOM 0 HB ILE A 22 5.228 10.618 -0.723 1.00 0.00 H new ATOM 0 HG12 ILE A 22 8.119 11.324 -0.111 1.00 0.00 H new ATOM 0 HG13 ILE A 22 6.820 12.485 -0.295 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.430 8.863 0.516 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.086 8.368 -1.159 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.725 8.892 -0.705 1.00 0.00 H new ATOM 0 HD11 ILE A 22 7.273 12.045 2.068 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.640 11.491 1.632 1.00 0.00 H new ATOM 0 HD13 ILE A 22 6.959 10.311 1.819 1.00 0.00 H new ATOM 309 N LEU A 23 4.569 9.788 -3.210 1.00 0.00 N ATOM 310 CA LEU A 23 3.763 8.863 -4.000 1.00 0.00 C ATOM 311 C LEU A 23 3.057 9.592 -5.139 1.00 0.00 C ATOM 312 O LEU A 23 1.853 9.433 -5.338 1.00 0.00 O ATOM 313 CB LEU A 23 2.732 8.166 -3.109 1.00 0.00 C ATOM 314 CG LEU A 23 3.292 7.207 -2.059 1.00 0.00 C ATOM 315 CD1 LEU A 23 2.164 6.485 -1.340 1.00 0.00 C ATOM 316 CD2 LEU A 23 4.242 6.207 -2.703 1.00 0.00 C ATOM 0 H LEU A 23 4.028 10.450 -2.653 1.00 0.00 H new ATOM 0 HA LEU A 23 4.429 8.115 -4.430 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.147 8.931 -2.598 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.044 7.612 -3.748 1.00 0.00 H new ATOM 0 HG LEU A 23 3.850 7.788 -1.325 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.582 5.807 -0.596 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.522 7.214 -0.846 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.578 5.916 -2.062 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.631 5.532 -1.941 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.707 5.631 -3.458 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.069 6.741 -3.172 1.00 0.00 H new ATOM 328 N GLN A 24 3.816 10.389 -5.884 1.00 0.00 N ATOM 329 CA GLN A 24 3.263 11.141 -7.005 1.00 0.00 C ATOM 330 C GLN A 24 2.933 10.215 -8.171 1.00 0.00 C ATOM 331 O GLN A 24 3.819 9.582 -8.744 1.00 0.00 O ATOM 332 CB GLN A 24 4.248 12.220 -7.458 1.00 0.00 C ATOM 333 CG GLN A 24 3.796 12.974 -8.697 1.00 0.00 C ATOM 334 CD GLN A 24 3.971 12.167 -9.968 1.00 0.00 C ATOM 335 OE1 GLN A 24 2.995 11.745 -10.589 1.00 0.00 O ATOM 336 NE2 GLN A 24 5.220 11.947 -10.363 1.00 0.00 N ATOM 0 H GLN A 24 4.815 10.531 -5.732 1.00 0.00 H new ATOM 0 HA GLN A 24 2.341 11.618 -6.671 1.00 0.00 H new ATOM 0 HB2 GLN A 24 4.396 12.930 -6.644 1.00 0.00 H new ATOM 0 HB3 GLN A 24 5.215 11.757 -7.657 1.00 0.00 H new ATOM 0 HG2 GLN A 24 2.747 13.249 -8.588 1.00 0.00 H new ATOM 0 HG3 GLN A 24 4.362 13.902 -8.780 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.000 12.315 -9.818 1.00 0.00 H new ATOM 0 HE22 GLN A 24 5.399 11.410 -11.211 1.00 0.00 H new ATOM 345 N GLY A 25 1.651 10.141 -8.517 1.00 0.00 N ATOM 346 CA GLY A 25 1.227 9.290 -9.613 1.00 0.00 C ATOM 347 C GLY A 25 1.079 7.840 -9.198 1.00 0.00 C ATOM 348 O GLY A 25 1.306 6.931 -9.996 1.00 0.00 O ATOM 0 H GLY A 25 0.899 10.655 -8.058 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.276 9.652 -10.003 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.951 9.360 -10.425 1.00 0.00 H new ATOM 352 N VAL A 26 0.698 7.622 -7.943 1.00 0.00 N ATOM 353 CA VAL A 26 0.520 6.272 -7.422 1.00 0.00 C ATOM 354 C VAL A 26 -0.928 6.026 -7.013 1.00 0.00 C ATOM 355 O VAL A 26 -1.619 6.938 -6.557 1.00 0.00 O ATOM 356 CB VAL A 26 1.435 6.013 -6.210 1.00 0.00 C ATOM 357 CG1 VAL A 26 1.251 4.593 -5.695 1.00 0.00 C ATOM 358 CG2 VAL A 26 2.888 6.273 -6.575 1.00 0.00 C ATOM 0 H VAL A 26 0.507 8.363 -7.269 1.00 0.00 H new ATOM 0 HA VAL A 26 0.789 5.586 -8.225 1.00 0.00 H new ATOM 0 HB VAL A 26 1.156 6.701 -5.412 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.905 4.429 -4.839 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.214 4.447 -5.392 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.501 3.884 -6.484 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.520 6.085 -5.707 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.183 5.611 -7.389 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.004 7.310 -6.891 1.00 0.00 H new ATOM 368 N VAL A 27 -1.383 4.789 -7.180 1.00 0.00 N ATOM 369 CA VAL A 27 -2.749 4.422 -6.827 1.00 0.00 C ATOM 370 C VAL A 27 -2.768 3.339 -5.754 1.00 0.00 C ATOM 371 O VAL A 27 -2.252 2.240 -5.957 1.00 0.00 O ATOM 372 CB VAL A 27 -3.532 3.925 -8.056 1.00 0.00 C ATOM 373 CG1 VAL A 27 -4.958 3.561 -7.671 1.00 0.00 C ATOM 374 CG2 VAL A 27 -3.520 4.976 -9.156 1.00 0.00 C ATOM 0 H VAL A 27 -0.825 4.023 -7.558 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.228 5.321 -6.440 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.044 3.028 -8.436 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.495 3.212 -8.553 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.942 2.771 -6.920 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.460 4.439 -7.264 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.078 4.608 -10.017 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.982 5.892 -8.789 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.491 5.182 -9.451 1.00 0.00 H new ATOM 384 N VAL A 28 -3.367 3.657 -4.610 1.00 0.00 N ATOM 385 CA VAL A 28 -3.455 2.711 -3.505 1.00 0.00 C ATOM 386 C VAL A 28 -4.906 2.349 -3.205 1.00 0.00 C ATOM 387 O VAL A 28 -5.806 3.177 -3.349 1.00 0.00 O ATOM 388 CB VAL A 28 -2.804 3.277 -2.229 1.00 0.00 C ATOM 389 CG1 VAL A 28 -1.308 3.461 -2.429 1.00 0.00 C ATOM 390 CG2 VAL A 28 -3.463 4.589 -1.832 1.00 0.00 C ATOM 0 H VAL A 28 -3.798 4.563 -4.425 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.916 1.815 -3.812 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.952 2.563 -1.419 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.866 3.862 -1.517 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.851 2.499 -2.662 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.133 4.154 -3.252 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.991 4.975 -0.929 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.348 5.313 -2.639 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.523 4.421 -1.644 1.00 0.00 H new ATOM 400 N VAL A 29 -5.126 1.107 -2.786 1.00 0.00 N ATOM 401 CA VAL A 29 -6.467 0.635 -2.464 1.00 0.00 C ATOM 402 C VAL A 29 -6.554 0.174 -1.014 1.00 0.00 C ATOM 403 O VAL A 29 -5.771 -0.668 -0.571 1.00 0.00 O ATOM 404 CB VAL A 29 -6.891 -0.523 -3.386 1.00 0.00 C ATOM 405 CG1 VAL A 29 -8.207 -1.125 -2.917 1.00 0.00 C ATOM 406 CG2 VAL A 29 -6.998 -0.045 -4.827 1.00 0.00 C ATOM 0 H VAL A 29 -4.392 0.409 -2.662 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.143 1.476 -2.616 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.127 -1.299 -3.340 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.491 -1.942 -3.581 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.092 -1.506 -1.902 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -8.983 -0.360 -2.932 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.299 -0.876 -5.465 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.741 0.750 -4.892 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -6.031 0.334 -5.157 1.00 0.00 H new ATOM 416 N LEU A 30 -7.511 0.729 -0.278 1.00 0.00 N ATOM 417 CA LEU A 30 -7.701 0.374 1.124 1.00 0.00 C ATOM 418 C LEU A 30 -8.534 -0.897 1.255 1.00 0.00 C ATOM 419 O LEU A 30 -9.695 -0.936 0.849 1.00 0.00 O ATOM 420 CB LEU A 30 -8.380 1.521 1.873 1.00 0.00 C ATOM 421 CG LEU A 30 -7.601 2.836 1.936 1.00 0.00 C ATOM 422 CD1 LEU A 30 -8.450 3.930 2.565 1.00 0.00 C ATOM 423 CD2 LEU A 30 -6.305 2.651 2.713 1.00 0.00 C ATOM 0 H LEU A 30 -8.167 1.427 -0.629 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.720 0.191 1.563 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.344 1.715 1.403 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.583 1.193 2.892 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.352 3.138 0.919 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.879 4.858 2.601 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.350 4.081 1.968 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.730 3.637 3.577 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.764 3.596 2.748 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.533 2.326 3.728 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.690 1.898 2.220 1.00 0.00 H new ATOM 435 N SER A 31 -7.933 -1.936 1.828 1.00 0.00 N ATOM 436 CA SER A 31 -8.618 -3.210 2.012 1.00 0.00 C ATOM 437 C SER A 31 -8.602 -3.628 3.479 1.00 0.00 C ATOM 438 O SER A 31 -7.714 -3.241 4.237 1.00 0.00 O ATOM 439 CB SER A 31 -7.964 -4.294 1.153 1.00 0.00 C ATOM 440 OG SER A 31 -8.808 -5.425 1.030 1.00 0.00 O ATOM 0 H SER A 31 -6.973 -1.920 2.173 1.00 0.00 H new ATOM 0 HA SER A 31 -9.655 -3.086 1.699 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.741 -3.893 0.164 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.014 -4.592 1.598 1.00 0.00 H new ATOM 0 HG SER A 31 -8.301 -6.236 1.241 1.00 0.00 H new ATOM 446 N GLY A 32 -9.593 -4.423 3.872 1.00 0.00 N ATOM 447 CA GLY A 32 -9.675 -4.881 5.247 1.00 0.00 C ATOM 448 C GLY A 32 -9.295 -3.803 6.241 1.00 0.00 C ATOM 449 O GLY A 32 -8.432 -4.011 7.095 1.00 0.00 O ATOM 0 H GLY A 32 -10.340 -4.758 3.263 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.690 -5.220 5.454 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.019 -5.741 5.380 1.00 0.00 H new ATOM 453 N PHE A 33 -9.940 -2.646 6.132 1.00 0.00 N ATOM 454 CA PHE A 33 -9.662 -1.529 7.028 1.00 0.00 C ATOM 455 C PHE A 33 -10.938 -1.056 7.719 1.00 0.00 C ATOM 456 O PHE A 33 -12.033 -1.170 7.167 1.00 0.00 O ATOM 457 CB PHE A 33 -9.030 -0.371 6.253 1.00 0.00 C ATOM 458 CG PHE A 33 -7.603 -0.622 5.858 1.00 0.00 C ATOM 459 CD1 PHE A 33 -6.626 -0.811 6.822 1.00 0.00 C ATOM 460 CD2 PHE A 33 -7.238 -0.669 4.522 1.00 0.00 C ATOM 461 CE1 PHE A 33 -5.312 -1.043 6.462 1.00 0.00 C ATOM 462 CE2 PHE A 33 -5.925 -0.902 4.156 1.00 0.00 C ATOM 463 CZ PHE A 33 -4.961 -1.087 5.127 1.00 0.00 C ATOM 0 H PHE A 33 -10.658 -2.457 5.433 1.00 0.00 H new ATOM 0 HA PHE A 33 -8.962 -1.872 7.790 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -9.619 -0.181 5.356 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -9.077 0.532 6.862 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -6.895 -0.777 7.868 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.987 -0.522 3.758 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.561 -1.190 7.224 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -5.654 -0.939 3.111 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.934 -1.266 4.843 1.00 0.00 H new ATOM 473 N GLN A 34 -10.788 -0.527 8.929 1.00 0.00 N ATOM 474 CA GLN A 34 -11.927 -0.039 9.696 1.00 0.00 C ATOM 475 C GLN A 34 -11.575 1.247 10.436 1.00 0.00 C ATOM 476 O GLN A 34 -10.504 1.358 11.031 1.00 0.00 O ATOM 477 CB GLN A 34 -12.393 -1.103 10.691 1.00 0.00 C ATOM 478 CG GLN A 34 -13.615 -0.691 11.496 1.00 0.00 C ATOM 479 CD GLN A 34 -14.177 -1.827 12.328 1.00 0.00 C ATOM 480 OE1 GLN A 34 -13.430 -2.628 12.890 1.00 0.00 O ATOM 481 NE2 GLN A 34 -15.500 -1.903 12.410 1.00 0.00 N ATOM 0 H GLN A 34 -9.888 -0.426 9.399 1.00 0.00 H new ATOM 0 HA GLN A 34 -12.737 0.175 8.999 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -12.618 -2.021 10.149 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -11.576 -1.330 11.376 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -13.350 0.138 12.152 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -14.386 -0.327 10.817 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -16.081 -1.217 11.928 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -15.935 -2.647 12.955 1.00 0.00 H new ATOM 490 N ASN A 35 -12.483 2.216 10.395 1.00 0.00 N ATOM 491 CA ASN A 35 -12.268 3.495 11.061 1.00 0.00 C ATOM 492 C ASN A 35 -12.217 3.318 12.576 1.00 0.00 C ATOM 493 O ASN A 35 -12.685 2.320 13.125 1.00 0.00 O ATOM 494 CB ASN A 35 -13.376 4.481 10.689 1.00 0.00 C ATOM 495 CG ASN A 35 -14.686 3.786 10.371 1.00 0.00 C ATOM 496 OD1 ASN A 35 -14.990 2.728 10.924 1.00 0.00 O ATOM 497 ND2 ASN A 35 -15.469 4.379 9.477 1.00 0.00 N ATOM 0 H ASN A 35 -13.376 2.140 9.907 1.00 0.00 H new ATOM 0 HA ASN A 35 -11.310 3.893 10.727 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -13.529 5.179 11.512 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -13.061 5.069 9.827 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -16.363 3.958 9.223 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -15.176 5.255 9.044 1.00 0.00 H new ATOM 504 N PRO A 36 -11.635 4.308 13.268 1.00 0.00 N ATOM 505 CA PRO A 36 -11.073 5.500 12.625 1.00 0.00 C ATOM 506 C PRO A 36 -9.813 5.187 11.825 1.00 0.00 C ATOM 507 O PRO A 36 -9.495 5.876 10.855 1.00 0.00 O ATOM 508 CB PRO A 36 -10.743 6.417 13.805 1.00 0.00 C ATOM 509 CG PRO A 36 -10.543 5.495 14.958 1.00 0.00 C ATOM 510 CD PRO A 36 -11.480 4.341 14.732 1.00 0.00 C ATOM 0 HA PRO A 36 -11.764 5.940 11.906 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -9.847 7.006 13.610 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -11.552 7.121 13.997 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -9.509 5.154 15.010 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -10.761 5.996 15.901 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -11.067 3.407 15.113 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -12.435 4.495 15.234 1.00 0.00 H new ATOM 518 N PHE A 37 -9.100 4.144 12.236 1.00 0.00 N ATOM 519 CA PHE A 37 -7.874 3.741 11.558 1.00 0.00 C ATOM 520 C PHE A 37 -7.985 3.971 10.053 1.00 0.00 C ATOM 521 O PHE A 37 -7.102 4.571 9.440 1.00 0.00 O ATOM 522 CB PHE A 37 -7.572 2.268 11.839 1.00 0.00 C ATOM 523 CG PHE A 37 -6.232 1.822 11.325 1.00 0.00 C ATOM 524 CD1 PHE A 37 -5.064 2.350 11.849 1.00 0.00 C ATOM 525 CD2 PHE A 37 -6.142 0.875 10.318 1.00 0.00 C ATOM 526 CE1 PHE A 37 -3.830 1.942 11.378 1.00 0.00 C ATOM 527 CE2 PHE A 37 -4.911 0.463 9.843 1.00 0.00 C ATOM 528 CZ PHE A 37 -3.754 0.997 10.374 1.00 0.00 C ATOM 0 H PHE A 37 -9.350 3.562 13.036 1.00 0.00 H new ATOM 0 HA PHE A 37 -7.057 4.352 11.942 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -7.616 2.095 12.914 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -8.349 1.653 11.385 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.118 3.089 12.635 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -7.044 0.454 9.899 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.926 2.362 11.795 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.854 -0.276 9.057 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.791 0.676 10.005 1.00 0.00 H new ATOM 538 N ARG A 38 -9.075 3.488 9.465 1.00 0.00 N ATOM 539 CA ARG A 38 -9.300 3.639 8.033 1.00 0.00 C ATOM 540 C ARG A 38 -9.181 5.102 7.615 1.00 0.00 C ATOM 541 O ARG A 38 -8.424 5.437 6.704 1.00 0.00 O ATOM 542 CB ARG A 38 -10.681 3.100 7.653 1.00 0.00 C ATOM 543 CG ARG A 38 -10.886 2.952 6.154 1.00 0.00 C ATOM 544 CD ARG A 38 -12.150 2.168 5.839 1.00 0.00 C ATOM 545 NE ARG A 38 -12.298 1.921 4.408 1.00 0.00 N ATOM 546 CZ ARG A 38 -13.430 1.511 3.846 1.00 0.00 C ATOM 547 NH1 ARG A 38 -14.507 1.303 4.592 1.00 0.00 N ATOM 548 NH2 ARG A 38 -13.487 1.308 2.536 1.00 0.00 N ATOM 0 H ARG A 38 -9.815 2.989 9.958 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.536 3.066 7.508 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -10.827 2.130 8.129 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -11.445 3.768 8.051 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.945 3.939 5.695 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.025 2.447 5.716 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -12.129 1.217 6.371 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -13.018 2.718 6.204 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.488 2.071 3.807 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -14.467 1.458 5.599 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -15.375 0.988 4.158 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -12.661 1.467 1.959 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -14.357 0.993 2.106 1.00 0.00 H new ATOM 562 N SER A 39 -9.934 5.967 8.286 1.00 0.00 N ATOM 563 CA SER A 39 -9.915 7.393 7.982 1.00 0.00 C ATOM 564 C SER A 39 -8.505 7.959 8.113 1.00 0.00 C ATOM 565 O SER A 39 -8.027 8.674 7.232 1.00 0.00 O ATOM 566 CB SER A 39 -10.868 8.147 8.912 1.00 0.00 C ATOM 567 OG SER A 39 -10.330 8.248 10.219 1.00 0.00 O ATOM 0 H SER A 39 -10.565 5.706 9.044 1.00 0.00 H new ATOM 0 HA SER A 39 -10.245 7.523 6.951 1.00 0.00 H new ATOM 0 HB2 SER A 39 -11.056 9.144 8.514 1.00 0.00 H new ATOM 0 HB3 SER A 39 -11.828 7.632 8.949 1.00 0.00 H new ATOM 0 HG SER A 39 -10.356 7.369 10.652 1.00 0.00 H new ATOM 573 N GLU A 40 -7.843 7.632 9.219 1.00 0.00 N ATOM 574 CA GLU A 40 -6.487 8.108 9.466 1.00 0.00 C ATOM 575 C GLU A 40 -5.551 7.696 8.334 1.00 0.00 C ATOM 576 O GLU A 40 -4.859 8.531 7.750 1.00 0.00 O ATOM 577 CB GLU A 40 -5.966 7.563 10.797 1.00 0.00 C ATOM 578 CG GLU A 40 -4.566 8.040 11.144 1.00 0.00 C ATOM 579 CD GLU A 40 -4.553 9.446 11.714 1.00 0.00 C ATOM 580 OE1 GLU A 40 -5.544 9.830 12.369 1.00 0.00 O ATOM 581 OE2 GLU A 40 -3.551 10.161 11.503 1.00 0.00 O ATOM 0 H GLU A 40 -8.224 7.040 9.957 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.515 9.197 9.513 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.649 7.859 11.593 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.971 6.474 10.761 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.121 7.355 11.866 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.943 8.009 10.250 1.00 0.00 H new ATOM 588 N LEU A 41 -5.534 6.403 8.029 1.00 0.00 N ATOM 589 CA LEU A 41 -4.683 5.878 6.967 1.00 0.00 C ATOM 590 C LEU A 41 -5.040 6.506 5.623 1.00 0.00 C ATOM 591 O LEU A 41 -4.160 6.898 4.857 1.00 0.00 O ATOM 592 CB LEU A 41 -4.817 4.357 6.884 1.00 0.00 C ATOM 593 CG LEU A 41 -4.180 3.692 5.663 1.00 0.00 C ATOM 594 CD1 LEU A 41 -2.672 3.889 5.674 1.00 0.00 C ATOM 595 CD2 LEU A 41 -4.526 2.211 5.620 1.00 0.00 C ATOM 0 H LEU A 41 -6.100 5.699 8.502 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.650 6.133 7.203 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.374 3.924 7.781 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.877 4.105 6.898 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.581 4.164 4.766 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.236 3.409 4.798 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.444 4.955 5.655 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.254 3.444 6.577 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.064 1.755 4.744 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.154 1.724 6.522 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.608 2.092 5.563 1.00 0.00 H new ATOM 607 N ARG A 42 -6.336 6.598 5.344 1.00 0.00 N ATOM 608 CA ARG A 42 -6.810 7.178 4.093 1.00 0.00 C ATOM 609 C ARG A 42 -6.186 8.551 3.861 1.00 0.00 C ATOM 610 O ARG A 42 -5.745 8.864 2.755 1.00 0.00 O ATOM 611 CB ARG A 42 -8.335 7.295 4.106 1.00 0.00 C ATOM 612 CG ARG A 42 -8.951 7.369 2.718 1.00 0.00 C ATOM 613 CD ARG A 42 -8.984 8.798 2.199 1.00 0.00 C ATOM 614 NE ARG A 42 -9.797 9.669 3.045 1.00 0.00 N ATOM 615 CZ ARG A 42 -10.364 10.790 2.614 1.00 0.00 C ATOM 616 NH1 ARG A 42 -10.208 11.175 1.355 1.00 0.00 N ATOM 617 NH2 ARG A 42 -11.089 11.529 3.444 1.00 0.00 N ATOM 0 H ARG A 42 -7.077 6.278 5.968 1.00 0.00 H new ATOM 0 HA ARG A 42 -6.510 6.519 3.279 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.752 6.438 4.635 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.618 8.185 4.668 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -8.380 6.744 2.031 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -9.964 6.967 2.746 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -7.968 9.189 2.147 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.380 8.806 1.184 1.00 0.00 H new ATOM 0 HE ARG A 42 -9.937 9.402 4.019 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -9.651 10.610 0.714 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -10.645 12.036 1.027 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.211 11.236 4.413 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -11.524 12.390 3.113 1.00 0.00 H new ATOM 631 N ASP A 43 -6.153 9.366 4.910 1.00 0.00 N ATOM 632 CA ASP A 43 -5.583 10.705 4.820 1.00 0.00 C ATOM 633 C ASP A 43 -4.114 10.644 4.413 1.00 0.00 C ATOM 634 O ASP A 43 -3.707 11.252 3.423 1.00 0.00 O ATOM 635 CB ASP A 43 -5.725 11.433 6.158 1.00 0.00 C ATOM 636 CG ASP A 43 -5.624 12.939 6.011 1.00 0.00 C ATOM 637 OD1 ASP A 43 -4.508 13.436 5.749 1.00 0.00 O ATOM 638 OD2 ASP A 43 -6.660 13.619 6.157 1.00 0.00 O ATOM 0 H ASP A 43 -6.514 9.123 5.832 1.00 0.00 H new ATOM 0 HA ASP A 43 -6.130 11.256 4.055 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.685 11.178 6.607 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -4.951 11.085 6.842 1.00 0.00 H new ATOM 643 N LYS A 44 -3.322 9.907 5.184 1.00 0.00 N ATOM 644 CA LYS A 44 -1.898 9.766 4.905 1.00 0.00 C ATOM 645 C LYS A 44 -1.662 9.430 3.436 1.00 0.00 C ATOM 646 O LYS A 44 -0.868 10.084 2.761 1.00 0.00 O ATOM 647 CB LYS A 44 -1.289 8.678 5.792 1.00 0.00 C ATOM 648 CG LYS A 44 -1.162 9.082 7.251 1.00 0.00 C ATOM 649 CD LYS A 44 -1.177 7.871 8.169 1.00 0.00 C ATOM 650 CE LYS A 44 -1.121 8.281 9.633 1.00 0.00 C ATOM 651 NZ LYS A 44 -1.144 7.100 10.540 1.00 0.00 N ATOM 0 H LYS A 44 -3.642 9.398 6.008 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.414 10.718 5.124 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.903 7.780 5.725 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.302 8.419 5.408 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.236 9.638 7.396 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.980 9.751 7.517 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.079 7.287 7.988 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.329 7.227 7.938 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.216 8.860 9.814 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.966 8.931 9.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.343 7.412 11.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.885 6.439 10.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.220 6.623 10.512 1.00 0.00 H new ATOM 665 N ALA A 45 -2.358 8.409 2.948 1.00 0.00 N ATOM 666 CA ALA A 45 -2.226 7.989 1.559 1.00 0.00 C ATOM 667 C ALA A 45 -2.396 9.171 0.610 1.00 0.00 C ATOM 668 O ALA A 45 -1.735 9.248 -0.426 1.00 0.00 O ATOM 669 CB ALA A 45 -3.241 6.902 1.237 1.00 0.00 C ATOM 0 H ALA A 45 -3.019 7.857 3.494 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.223 7.586 1.421 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.131 6.598 0.196 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.072 6.043 1.886 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.248 7.286 1.398 1.00 0.00 H new ATOM 675 N LEU A 46 -3.285 10.090 0.970 1.00 0.00 N ATOM 676 CA LEU A 46 -3.542 11.268 0.150 1.00 0.00 C ATOM 677 C LEU A 46 -2.352 12.222 0.180 1.00 0.00 C ATOM 678 O LEU A 46 -1.913 12.714 -0.859 1.00 0.00 O ATOM 679 CB LEU A 46 -4.800 11.989 0.638 1.00 0.00 C ATOM 680 CG LEU A 46 -6.097 11.179 0.595 1.00 0.00 C ATOM 681 CD1 LEU A 46 -7.172 11.848 1.437 1.00 0.00 C ATOM 682 CD2 LEU A 46 -6.571 11.007 -0.841 1.00 0.00 C ATOM 0 H LEU A 46 -3.840 10.042 1.824 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.695 10.939 -0.878 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.633 12.315 1.665 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.936 12.888 0.036 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.900 10.191 1.012 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.087 11.258 1.394 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.833 11.918 2.471 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.367 12.848 1.050 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.495 10.428 -0.852 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.751 11.986 -1.285 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.807 10.483 -1.416 1.00 0.00 H new ATOM 694 N GLU A 47 -1.835 12.477 1.377 1.00 0.00 N ATOM 695 CA GLU A 47 -0.694 13.371 1.541 1.00 0.00 C ATOM 696 C GLU A 47 0.444 12.978 0.604 1.00 0.00 C ATOM 697 O GLU A 47 1.052 13.831 -0.044 1.00 0.00 O ATOM 698 CB GLU A 47 -0.206 13.351 2.991 1.00 0.00 C ATOM 699 CG GLU A 47 -0.878 14.390 3.874 1.00 0.00 C ATOM 700 CD GLU A 47 -0.989 15.744 3.200 1.00 0.00 C ATOM 701 OE1 GLU A 47 0.064 16.344 2.899 1.00 0.00 O ATOM 702 OE2 GLU A 47 -2.128 16.203 2.975 1.00 0.00 O ATOM 0 H GLU A 47 -2.187 12.078 2.247 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.017 14.381 1.288 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.382 12.361 3.411 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.871 13.516 3.005 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.874 14.041 4.146 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.313 14.495 4.800 1.00 0.00 H new ATOM 709 N LEU A 48 0.728 11.682 0.539 1.00 0.00 N ATOM 710 CA LEU A 48 1.794 11.175 -0.318 1.00 0.00 C ATOM 711 C LEU A 48 1.465 11.404 -1.789 1.00 0.00 C ATOM 712 O LEU A 48 2.343 11.344 -2.649 1.00 0.00 O ATOM 713 CB LEU A 48 2.017 9.684 -0.059 1.00 0.00 C ATOM 714 CG LEU A 48 2.183 9.274 1.405 1.00 0.00 C ATOM 715 CD1 LEU A 48 1.811 7.811 1.595 1.00 0.00 C ATOM 716 CD2 LEU A 48 3.609 9.529 1.871 1.00 0.00 C ATOM 0 H LEU A 48 0.235 10.963 1.069 1.00 0.00 H new ATOM 0 HA LEU A 48 2.708 11.719 -0.081 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.174 9.133 -0.476 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.906 9.370 -0.606 1.00 0.00 H new ATOM 0 HG LEU A 48 1.510 9.880 2.011 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.935 7.537 2.643 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.773 7.658 1.301 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.458 7.188 0.978 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.709 9.232 2.915 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.301 8.949 1.260 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.840 10.590 1.772 1.00 0.00 H new ATOM 728 N GLY A 49 0.193 11.669 -2.072 1.00 0.00 N ATOM 729 CA GLY A 49 -0.229 11.905 -3.441 1.00 0.00 C ATOM 730 C GLY A 49 -0.703 10.640 -4.128 1.00 0.00 C ATOM 731 O GLY A 49 -0.566 10.497 -5.343 1.00 0.00 O ATOM 0 H GLY A 49 -0.553 11.724 -1.378 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.032 12.642 -3.448 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.600 12.332 -4.005 1.00 0.00 H new ATOM 735 N ALA A 50 -1.260 9.718 -3.349 1.00 0.00 N ATOM 736 CA ALA A 50 -1.755 8.459 -3.890 1.00 0.00 C ATOM 737 C ALA A 50 -3.272 8.488 -4.047 1.00 0.00 C ATOM 738 O ALA A 50 -3.969 9.197 -3.321 1.00 0.00 O ATOM 739 CB ALA A 50 -1.338 7.300 -2.997 1.00 0.00 C ATOM 0 H ALA A 50 -1.379 9.820 -2.341 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.315 8.319 -4.878 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.715 6.366 -3.414 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.250 7.259 -2.939 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.750 7.444 -1.998 1.00 0.00 H new ATOM 745 N LYS A 51 -3.778 7.713 -5.001 1.00 0.00 N ATOM 746 CA LYS A 51 -5.213 7.649 -5.254 1.00 0.00 C ATOM 747 C LYS A 51 -5.856 6.520 -4.455 1.00 0.00 C ATOM 748 O LYS A 51 -5.470 5.358 -4.583 1.00 0.00 O ATOM 749 CB LYS A 51 -5.479 7.448 -6.747 1.00 0.00 C ATOM 750 CG LYS A 51 -5.310 8.713 -7.571 1.00 0.00 C ATOM 751 CD LYS A 51 -6.177 8.687 -8.818 1.00 0.00 C ATOM 752 CE LYS A 51 -5.618 9.592 -9.905 1.00 0.00 C ATOM 753 NZ LYS A 51 -6.200 9.280 -11.240 1.00 0.00 N ATOM 0 H LYS A 51 -3.215 7.120 -5.612 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.656 8.593 -4.936 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.802 6.683 -7.128 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.493 7.071 -6.879 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.570 9.581 -6.964 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.264 8.825 -7.856 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.246 7.666 -9.193 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.189 9.003 -8.565 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.824 10.632 -9.653 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.534 9.483 -9.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.794 9.918 -11.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.982 8.295 -11.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.232 9.409 -11.208 1.00 0.00 H new ATOM 767 N TYR A 52 -6.840 6.869 -3.634 1.00 0.00 N ATOM 768 CA TYR A 52 -7.536 5.885 -2.814 1.00 0.00 C ATOM 769 C TYR A 52 -8.838 5.446 -3.477 1.00 0.00 C ATOM 770 O TYR A 52 -9.803 6.208 -3.540 1.00 0.00 O ATOM 771 CB TYR A 52 -7.826 6.459 -1.426 1.00 0.00 C ATOM 772 CG TYR A 52 -9.052 5.866 -0.769 1.00 0.00 C ATOM 773 CD1 TYR A 52 -9.187 4.491 -0.617 1.00 0.00 C ATOM 774 CD2 TYR A 52 -10.076 6.680 -0.301 1.00 0.00 C ATOM 775 CE1 TYR A 52 -10.305 3.945 -0.018 1.00 0.00 C ATOM 776 CE2 TYR A 52 -11.197 6.143 0.301 1.00 0.00 C ATOM 777 CZ TYR A 52 -11.308 4.775 0.439 1.00 0.00 C ATOM 778 OH TYR A 52 -12.423 4.235 1.038 1.00 0.00 O ATOM 0 H TYR A 52 -7.174 7.826 -3.519 1.00 0.00 H new ATOM 0 HA TYR A 52 -6.890 5.013 -2.711 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -6.962 6.289 -0.784 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -7.954 7.538 -1.508 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -8.404 3.838 -0.974 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -9.994 7.751 -0.410 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -10.394 2.874 0.092 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -11.982 6.791 0.662 1.00 0.00 H new ATOM 0 HH TYR A 52 -13.033 4.955 1.304 1.00 0.00 H new ATOM 788 N ARG A 53 -8.857 4.213 -3.971 1.00 0.00 N ATOM 789 CA ARG A 53 -10.039 3.672 -4.631 1.00 0.00 C ATOM 790 C ARG A 53 -10.757 2.674 -3.727 1.00 0.00 C ATOM 791 O ARG A 53 -10.136 1.911 -2.986 1.00 0.00 O ATOM 792 CB ARG A 53 -9.651 2.996 -5.947 1.00 0.00 C ATOM 793 CG ARG A 53 -8.942 3.922 -6.921 1.00 0.00 C ATOM 794 CD ARG A 53 -9.932 4.770 -7.705 1.00 0.00 C ATOM 795 NE ARG A 53 -9.408 5.153 -9.013 1.00 0.00 N ATOM 796 CZ ARG A 53 -10.172 5.565 -10.019 1.00 0.00 C ATOM 797 NH1 ARG A 53 -11.487 5.647 -9.867 1.00 0.00 N ATOM 798 NH2 ARG A 53 -9.621 5.897 -11.180 1.00 0.00 N ATOM 0 H ARG A 53 -8.067 3.569 -3.927 1.00 0.00 H new ATOM 0 HA ARG A 53 -10.717 4.499 -4.842 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -9.005 2.145 -5.732 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -10.549 2.602 -6.422 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.258 4.571 -6.375 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -8.339 3.333 -7.612 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.861 4.215 -7.835 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -10.173 5.667 -7.134 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.400 5.101 -9.163 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -11.914 5.393 -8.976 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -12.071 5.964 -10.641 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -8.610 5.836 -11.301 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -10.209 6.213 -11.952 1.00 0.00 H new ATOM 812 N PRO A 54 -12.097 2.678 -3.787 1.00 0.00 N ATOM 813 CA PRO A 54 -12.929 1.780 -2.981 1.00 0.00 C ATOM 814 C PRO A 54 -12.816 0.327 -3.430 1.00 0.00 C ATOM 815 O PRO A 54 -13.123 -0.593 -2.671 1.00 0.00 O ATOM 816 CB PRO A 54 -14.348 2.303 -3.216 1.00 0.00 C ATOM 817 CG PRO A 54 -14.287 2.980 -4.542 1.00 0.00 C ATOM 818 CD PRO A 54 -12.904 3.560 -4.647 1.00 0.00 C ATOM 0 HA PRO A 54 -12.629 1.778 -1.933 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -15.074 1.490 -3.220 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -14.650 2.996 -2.431 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -14.476 2.273 -5.350 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -15.044 3.760 -4.617 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.544 3.557 -5.676 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -12.875 4.594 -4.302 1.00 0.00 H new ATOM 826 N ASP A 55 -12.373 0.127 -4.666 1.00 0.00 N ATOM 827 CA ASP A 55 -12.217 -1.215 -5.215 1.00 0.00 C ATOM 828 C ASP A 55 -10.996 -1.292 -6.126 1.00 0.00 C ATOM 829 O ASP A 55 -10.517 -0.273 -6.624 1.00 0.00 O ATOM 830 CB ASP A 55 -13.473 -1.621 -5.989 1.00 0.00 C ATOM 831 CG ASP A 55 -14.001 -0.500 -6.864 1.00 0.00 C ATOM 832 OD1 ASP A 55 -13.447 -0.297 -7.965 1.00 0.00 O ATOM 833 OD2 ASP A 55 -14.966 0.173 -6.448 1.00 0.00 O ATOM 0 H ASP A 55 -12.115 0.877 -5.307 1.00 0.00 H new ATOM 0 HA ASP A 55 -12.071 -1.906 -4.385 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -13.249 -2.488 -6.610 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -14.248 -1.925 -5.285 1.00 0.00 H new ATOM 838 N TRP A 56 -10.498 -2.504 -6.337 1.00 0.00 N ATOM 839 CA TRP A 56 -9.331 -2.713 -7.187 1.00 0.00 C ATOM 840 C TRP A 56 -9.572 -2.162 -8.588 1.00 0.00 C ATOM 841 O TRP A 56 -10.304 -2.754 -9.382 1.00 0.00 O ATOM 842 CB TRP A 56 -8.990 -4.202 -7.263 1.00 0.00 C ATOM 843 CG TRP A 56 -7.679 -4.478 -7.935 1.00 0.00 C ATOM 844 CD1 TRP A 56 -7.485 -5.145 -9.111 1.00 0.00 C ATOM 845 CD2 TRP A 56 -6.380 -4.095 -7.469 1.00 0.00 C ATOM 846 NE1 TRP A 56 -6.143 -5.200 -9.404 1.00 0.00 N ATOM 847 CE2 TRP A 56 -5.445 -4.563 -8.413 1.00 0.00 C ATOM 848 CE3 TRP A 56 -5.916 -3.402 -6.348 1.00 0.00 C ATOM 849 CZ2 TRP A 56 -4.075 -4.359 -8.267 1.00 0.00 C ATOM 850 CZ3 TRP A 56 -4.557 -3.201 -6.205 1.00 0.00 C ATOM 851 CH2 TRP A 56 -3.649 -3.677 -7.160 1.00 0.00 C ATOM 0 H TRP A 56 -10.883 -3.357 -5.932 1.00 0.00 H new ATOM 0 HA TRP A 56 -8.491 -2.177 -6.746 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -8.967 -4.614 -6.254 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -9.783 -4.722 -7.801 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -8.270 -5.567 -9.721 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.734 -5.643 -10.226 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -6.608 -3.030 -5.607 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -3.374 -4.726 -9.002 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -4.188 -2.667 -5.342 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -2.593 -3.502 -7.020 1.00 0.00 H new ATOM 862 N THR A 57 -8.952 -1.025 -8.887 1.00 0.00 N ATOM 863 CA THR A 57 -9.101 -0.394 -10.192 1.00 0.00 C ATOM 864 C THR A 57 -8.003 -0.844 -11.149 1.00 0.00 C ATOM 865 O THR A 57 -7.043 -1.500 -10.743 1.00 0.00 O ATOM 866 CB THR A 57 -9.070 1.142 -10.080 1.00 0.00 C ATOM 867 OG1 THR A 57 -7.945 1.554 -9.295 1.00 0.00 O ATOM 868 CG2 THR A 57 -10.352 1.665 -9.451 1.00 0.00 C ATOM 0 H THR A 57 -8.342 -0.522 -8.243 1.00 0.00 H new ATOM 0 HA THR A 57 -10.070 -0.703 -10.584 1.00 0.00 H new ATOM 0 HB THR A 57 -8.982 1.555 -11.085 1.00 0.00 H new ATOM 0 HG1 THR A 57 -7.641 2.435 -9.597 1.00 0.00 H new ATOM 0 HG21 THR A 57 -10.307 2.752 -9.382 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.204 1.375 -10.067 1.00 0.00 H new ATOM 0 HG23 THR A 57 -10.466 1.243 -8.452 1.00 0.00 H new ATOM 876 N ARG A 58 -8.150 -0.488 -12.421 1.00 0.00 N ATOM 877 CA ARG A 58 -7.170 -0.857 -13.436 1.00 0.00 C ATOM 878 C ARG A 58 -5.942 0.046 -13.359 1.00 0.00 C ATOM 879 O ARG A 58 -4.987 -0.124 -14.116 1.00 0.00 O ATOM 880 CB ARG A 58 -7.793 -0.772 -14.831 1.00 0.00 C ATOM 881 CG ARG A 58 -8.100 0.649 -15.275 1.00 0.00 C ATOM 882 CD ARG A 58 -9.092 0.670 -16.428 1.00 0.00 C ATOM 883 NE ARG A 58 -9.296 2.018 -16.950 1.00 0.00 N ATOM 884 CZ ARG A 58 -10.120 2.903 -16.400 1.00 0.00 C ATOM 885 NH1 ARG A 58 -10.815 2.583 -15.317 1.00 0.00 N ATOM 886 NH2 ARG A 58 -10.252 4.110 -16.934 1.00 0.00 N ATOM 0 H ARG A 58 -8.938 0.055 -12.773 1.00 0.00 H new ATOM 0 HA ARG A 58 -6.857 -1.884 -13.248 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -7.115 -1.230 -15.551 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -8.714 -1.355 -14.845 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -8.504 1.214 -14.435 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.177 1.144 -15.578 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -8.732 0.022 -17.227 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -10.046 0.263 -16.093 1.00 0.00 H new ATOM 0 HE ARG A 58 -8.777 2.296 -17.783 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -10.718 1.655 -14.904 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -11.447 3.264 -14.897 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -9.720 4.360 -17.768 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -10.885 4.789 -16.511 1.00 0.00 H new ATOM 900 N ASP A 59 -5.976 1.005 -12.441 1.00 0.00 N ATOM 901 CA ASP A 59 -4.866 1.934 -12.265 1.00 0.00 C ATOM 902 C ASP A 59 -4.116 1.645 -10.968 1.00 0.00 C ATOM 903 O ASP A 59 -3.067 2.231 -10.702 1.00 0.00 O ATOM 904 CB ASP A 59 -5.375 3.376 -12.263 1.00 0.00 C ATOM 905 CG ASP A 59 -4.255 4.386 -12.417 1.00 0.00 C ATOM 906 OD1 ASP A 59 -3.257 4.065 -13.095 1.00 0.00 O ATOM 907 OD2 ASP A 59 -4.376 5.497 -11.859 1.00 0.00 O ATOM 0 H ASP A 59 -6.760 1.160 -11.807 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.178 1.801 -13.100 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.092 3.506 -13.074 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.908 3.569 -11.332 1.00 0.00 H new ATOM 912 N SER A 60 -4.662 0.738 -10.164 1.00 0.00 N ATOM 913 CA SER A 60 -4.047 0.375 -8.893 1.00 0.00 C ATOM 914 C SER A 60 -2.642 -0.179 -9.108 1.00 0.00 C ATOM 915 O SER A 60 -2.444 -1.125 -9.872 1.00 0.00 O ATOM 916 CB SER A 60 -4.908 -0.657 -8.162 1.00 0.00 C ATOM 917 OG SER A 60 -5.973 -0.032 -7.466 1.00 0.00 O ATOM 0 H SER A 60 -5.529 0.241 -10.370 1.00 0.00 H new ATOM 0 HA SER A 60 -3.974 1.275 -8.283 1.00 0.00 H new ATOM 0 HB2 SER A 60 -5.309 -1.374 -8.879 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.291 -1.219 -7.461 1.00 0.00 H new ATOM 0 HG SER A 60 -6.545 0.445 -8.103 1.00 0.00 H new ATOM 923 N THR A 61 -1.667 0.417 -8.427 1.00 0.00 N ATOM 924 CA THR A 61 -0.280 -0.015 -8.544 1.00 0.00 C ATOM 925 C THR A 61 0.182 -0.727 -7.277 1.00 0.00 C ATOM 926 O THR A 61 1.028 -1.616 -7.361 1.00 0.00 O ATOM 927 CB THR A 61 0.658 1.175 -8.821 1.00 0.00 C ATOM 928 OG1 THR A 61 0.392 2.234 -7.894 1.00 0.00 O ATOM 929 CG2 THR A 61 0.481 1.683 -10.244 1.00 0.00 C ATOM 0 H THR A 61 -1.813 1.200 -7.789 1.00 0.00 H new ATOM 0 HA THR A 61 -0.234 -0.707 -9.385 1.00 0.00 H new ATOM 0 HB THR A 61 1.687 0.835 -8.699 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.764 2.003 -7.017 1.00 0.00 H new ATOM 0 HG21 THR A 61 1.153 2.523 -10.417 1.00 0.00 H new ATOM 0 HG22 THR A 61 0.712 0.883 -10.947 1.00 0.00 H new ATOM 0 HG23 THR A 61 -0.549 2.007 -10.389 1.00 0.00 H new ATOM 937 N HIS A 62 -0.376 -0.327 -6.144 1.00 0.00 N ATOM 938 CA HIS A 62 -0.012 -0.935 -4.875 1.00 0.00 C ATOM 939 C HIS A 62 -1.277 -1.223 -4.064 1.00 0.00 C ATOM 940 O HIS A 62 -2.114 -0.352 -3.827 1.00 0.00 O ATOM 941 CB HIS A 62 0.990 -0.059 -4.120 1.00 0.00 C ATOM 942 CG HIS A 62 2.112 0.471 -4.980 1.00 0.00 C ATOM 943 ND1 HIS A 62 1.899 1.037 -6.226 1.00 0.00 N ATOM 944 CD2 HIS A 62 3.457 0.517 -4.762 1.00 0.00 C ATOM 945 CE1 HIS A 62 3.071 1.402 -6.725 1.00 0.00 C ATOM 946 NE2 HIS A 62 4.035 1.078 -5.816 1.00 0.00 N ATOM 0 H HIS A 62 -1.077 0.411 -6.078 1.00 0.00 H new ATOM 0 HA HIS A 62 0.489 -1.887 -5.053 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.459 0.782 -3.675 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.416 -0.637 -3.300 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.966 0.157 -3.880 1.00 0.00 H new ATOM 0 HE1 HIS A 62 3.234 1.873 -7.683 1.00 0.00 H new ATOM 0 HE2 HIS A 62 5.036 1.240 -5.928 1.00 0.00 H new ATOM 954 N LEU A 63 -1.397 -2.476 -3.639 1.00 0.00 N ATOM 955 CA LEU A 63 -2.547 -2.910 -2.853 1.00 0.00 C ATOM 956 C LEU A 63 -2.235 -2.861 -1.361 1.00 0.00 C ATOM 957 O LEU A 63 -1.316 -3.528 -0.886 1.00 0.00 O ATOM 958 CB LEU A 63 -2.957 -4.329 -3.253 1.00 0.00 C ATOM 959 CG LEU A 63 -3.886 -5.058 -2.282 1.00 0.00 C ATOM 960 CD1 LEU A 63 -5.244 -4.375 -2.227 1.00 0.00 C ATOM 961 CD2 LEU A 63 -4.038 -6.518 -2.683 1.00 0.00 C ATOM 0 H LEU A 63 -0.713 -3.209 -3.825 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.373 -2.229 -3.056 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.445 -4.284 -4.227 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.053 -4.926 -3.377 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.442 -5.019 -1.287 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.891 -4.908 -1.531 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.120 -3.345 -1.891 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.695 -4.381 -3.219 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.703 -7.021 -1.981 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.459 -6.578 -3.687 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.062 -7.003 -2.669 1.00 0.00 H new ATOM 973 N ILE A 64 -3.009 -2.068 -0.626 1.00 0.00 N ATOM 974 CA ILE A 64 -2.818 -1.935 0.813 1.00 0.00 C ATOM 975 C ILE A 64 -3.707 -2.909 1.578 1.00 0.00 C ATOM 976 O ILE A 64 -4.850 -2.591 1.911 1.00 0.00 O ATOM 977 CB ILE A 64 -3.115 -0.501 1.290 1.00 0.00 C ATOM 978 CG1 ILE A 64 -2.402 0.515 0.396 1.00 0.00 C ATOM 979 CG2 ILE A 64 -2.692 -0.327 2.741 1.00 0.00 C ATOM 980 CD1 ILE A 64 -0.901 0.535 0.580 1.00 0.00 C ATOM 0 H ILE A 64 -3.774 -1.508 -1.004 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.772 -2.167 1.016 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.189 -0.326 1.222 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.629 0.291 -0.646 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.798 1.509 0.602 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.908 0.692 3.063 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.241 -1.030 3.367 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.623 -0.518 2.834 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.463 1.279 -0.086 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.664 0.789 1.613 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.493 -0.448 0.345 1.00 0.00 H new ATOM 992 N CYS A 65 -3.175 -4.094 1.857 1.00 0.00 N ATOM 993 CA CYS A 65 -3.921 -5.114 2.585 1.00 0.00 C ATOM 994 C CYS A 65 -3.615 -5.050 4.077 1.00 0.00 C ATOM 995 O CYS A 65 -2.492 -4.744 4.478 1.00 0.00 O ATOM 996 CB CYS A 65 -3.586 -6.504 2.042 1.00 0.00 C ATOM 997 SG CYS A 65 -4.814 -7.769 2.445 1.00 0.00 S ATOM 0 H CYS A 65 -2.231 -4.372 1.590 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.985 -4.923 2.443 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.484 -6.444 0.958 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -2.618 -6.813 2.437 1.00 0.00 H new ATOM 0 HG CYS A 65 -4.416 -8.445 3.482 1.00 0.00 H new ATOM 1003 N ALA A 66 -4.621 -5.339 4.896 1.00 0.00 N ATOM 1004 CA ALA A 66 -4.459 -5.315 6.344 1.00 0.00 C ATOM 1005 C ALA A 66 -3.764 -6.578 6.840 1.00 0.00 C ATOM 1006 O ALA A 66 -2.882 -6.517 7.697 1.00 0.00 O ATOM 1007 CB ALA A 66 -5.811 -5.152 7.023 1.00 0.00 C ATOM 0 H ALA A 66 -5.557 -5.593 4.581 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.830 -4.462 6.601 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -5.675 -5.136 8.104 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -6.270 -4.217 6.701 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -6.458 -5.986 6.751 1.00 0.00 H new ATOM 1013 N PHE A 67 -4.168 -7.722 6.297 1.00 0.00 N ATOM 1014 CA PHE A 67 -3.584 -9.001 6.687 1.00 0.00 C ATOM 1015 C PHE A 67 -3.860 -10.068 5.632 1.00 0.00 C ATOM 1016 O PHE A 67 -4.761 -9.922 4.807 1.00 0.00 O ATOM 1017 CB PHE A 67 -4.141 -9.448 8.039 1.00 0.00 C ATOM 1018 CG PHE A 67 -5.573 -9.052 8.260 1.00 0.00 C ATOM 1019 CD1 PHE A 67 -6.606 -9.873 7.838 1.00 0.00 C ATOM 1020 CD2 PHE A 67 -5.886 -7.858 8.888 1.00 0.00 C ATOM 1021 CE1 PHE A 67 -7.924 -9.510 8.038 1.00 0.00 C ATOM 1022 CE2 PHE A 67 -7.203 -7.489 9.092 1.00 0.00 C ATOM 1023 CZ PHE A 67 -8.223 -8.317 8.667 1.00 0.00 C ATOM 0 H PHE A 67 -4.897 -7.790 5.586 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.505 -8.870 6.772 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -4.056 -10.532 8.117 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -3.528 -9.022 8.834 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -6.378 -10.808 7.347 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -5.092 -7.207 9.223 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -8.720 -10.158 7.703 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -7.433 -6.555 9.583 1.00 0.00 H new ATOM 0 HZ PHE A 67 -9.253 -8.032 8.826 1.00 0.00 H new ATOM 1033 N ALA A 68 -3.077 -11.141 5.665 1.00 0.00 N ATOM 1034 CA ALA A 68 -3.237 -12.233 4.714 1.00 0.00 C ATOM 1035 C ALA A 68 -4.564 -12.954 4.924 1.00 0.00 C ATOM 1036 O ALA A 68 -5.359 -12.574 5.782 1.00 0.00 O ATOM 1037 CB ALA A 68 -2.078 -13.212 4.834 1.00 0.00 C ATOM 0 H ALA A 68 -2.325 -11.277 6.341 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.238 -11.809 3.710 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.211 -14.023 4.118 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.141 -12.694 4.627 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -2.050 -13.621 5.844 1.00 0.00 H new ATOM 1043 N ASN A 69 -4.797 -13.997 4.133 1.00 0.00 N ATOM 1044 CA ASN A 69 -6.030 -14.770 4.232 1.00 0.00 C ATOM 1045 C ASN A 69 -7.250 -13.876 4.034 1.00 0.00 C ATOM 1046 O ASN A 69 -8.173 -13.876 4.850 1.00 0.00 O ATOM 1047 CB ASN A 69 -6.110 -15.469 5.591 1.00 0.00 C ATOM 1048 CG ASN A 69 -5.361 -16.787 5.608 1.00 0.00 C ATOM 1049 OD1 ASN A 69 -5.467 -17.587 4.678 1.00 0.00 O ATOM 1050 ND2 ASN A 69 -4.597 -17.020 6.670 1.00 0.00 N ATOM 0 H ASN A 69 -4.149 -14.326 3.417 1.00 0.00 H new ATOM 0 HA ASN A 69 -6.022 -15.523 3.444 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -5.701 -14.812 6.359 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -7.155 -15.645 5.845 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -4.069 -17.890 6.737 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -4.539 -16.329 7.418 1.00 0.00 H new ATOM 1057 N THR A 70 -7.250 -13.116 2.944 1.00 0.00 N ATOM 1058 CA THR A 70 -8.355 -12.217 2.639 1.00 0.00 C ATOM 1059 C THR A 70 -8.873 -12.444 1.223 1.00 0.00 C ATOM 1060 O THR A 70 -8.170 -12.959 0.354 1.00 0.00 O ATOM 1061 CB THR A 70 -7.939 -10.742 2.790 1.00 0.00 C ATOM 1062 OG1 THR A 70 -6.608 -10.555 2.296 1.00 0.00 O ATOM 1063 CG2 THR A 70 -8.010 -10.306 4.246 1.00 0.00 C ATOM 0 H THR A 70 -6.496 -13.105 2.257 1.00 0.00 H new ATOM 0 HA THR A 70 -9.148 -12.438 3.354 1.00 0.00 H new ATOM 0 HB THR A 70 -8.631 -10.131 2.210 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.326 -9.630 2.456 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.712 -9.261 4.328 1.00 0.00 H new ATOM 0 HG22 THR A 70 -9.030 -10.422 4.611 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.339 -10.923 4.844 1.00 0.00 H new ATOM 1071 N PRO A 71 -10.133 -12.050 0.983 1.00 0.00 N ATOM 1072 CA PRO A 71 -10.773 -12.199 -0.328 1.00 0.00 C ATOM 1073 C PRO A 71 -10.176 -11.264 -1.374 1.00 0.00 C ATOM 1074 O PRO A 71 -10.335 -11.478 -2.576 1.00 0.00 O ATOM 1075 CB PRO A 71 -12.233 -11.833 -0.053 1.00 0.00 C ATOM 1076 CG PRO A 71 -12.182 -10.941 1.139 1.00 0.00 C ATOM 1077 CD PRO A 71 -11.029 -11.428 1.971 1.00 0.00 C ATOM 0 HA PRO A 71 -10.640 -13.201 -0.735 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.682 -11.327 -0.907 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -12.834 -12.721 0.143 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -12.038 -9.902 0.843 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -13.115 -10.986 1.701 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -10.539 -10.609 2.498 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -11.353 -12.144 2.726 1.00 0.00 H new ATOM 1085 N LYS A 72 -9.489 -10.226 -0.910 1.00 0.00 N ATOM 1086 CA LYS A 72 -8.867 -9.257 -1.805 1.00 0.00 C ATOM 1087 C LYS A 72 -7.411 -9.623 -2.075 1.00 0.00 C ATOM 1088 O LYS A 72 -6.885 -9.360 -3.157 1.00 0.00 O ATOM 1089 CB LYS A 72 -8.948 -7.852 -1.205 1.00 0.00 C ATOM 1090 CG LYS A 72 -10.234 -7.118 -1.546 1.00 0.00 C ATOM 1091 CD LYS A 72 -10.130 -6.405 -2.884 1.00 0.00 C ATOM 1092 CE LYS A 72 -11.088 -5.225 -2.962 1.00 0.00 C ATOM 1093 NZ LYS A 72 -11.536 -4.967 -4.359 1.00 0.00 N ATOM 0 H LYS A 72 -9.349 -10.034 0.082 1.00 0.00 H new ATOM 0 HA LYS A 72 -9.409 -9.273 -2.751 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.857 -7.923 -0.121 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.100 -7.266 -1.559 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -11.062 -7.826 -1.573 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.459 -6.394 -0.763 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.108 -6.056 -3.033 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.348 -7.106 -3.689 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.956 -5.419 -2.332 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.600 -4.334 -2.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.957 -4.018 -4.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.720 -5.025 -5.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.244 -5.678 -4.633 1.00 0.00 H new ATOM 1107 N TYR A 73 -6.766 -10.231 -1.086 1.00 0.00 N ATOM 1108 CA TYR A 73 -5.370 -10.632 -1.217 1.00 0.00 C ATOM 1109 C TYR A 73 -5.179 -11.557 -2.415 1.00 0.00 C ATOM 1110 O TYR A 73 -4.408 -11.258 -3.327 1.00 0.00 O ATOM 1111 CB TYR A 73 -4.896 -11.329 0.060 1.00 0.00 C ATOM 1112 CG TYR A 73 -3.530 -11.964 -0.069 1.00 0.00 C ATOM 1113 CD1 TYR A 73 -2.374 -11.201 0.039 1.00 0.00 C ATOM 1114 CD2 TYR A 73 -3.396 -13.328 -0.298 1.00 0.00 C ATOM 1115 CE1 TYR A 73 -1.124 -11.778 -0.078 1.00 0.00 C ATOM 1116 CE2 TYR A 73 -2.150 -13.914 -0.415 1.00 0.00 C ATOM 1117 CZ TYR A 73 -1.017 -13.134 -0.305 1.00 0.00 C ATOM 1118 OH TYR A 73 0.226 -13.712 -0.422 1.00 0.00 O ATOM 0 H TYR A 73 -7.187 -10.457 -0.185 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.774 -9.734 -1.376 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.875 -10.604 0.874 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.620 -12.096 0.335 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -2.454 -10.139 0.217 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.281 -13.941 -0.386 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.235 -11.170 0.008 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -2.063 -14.976 -0.591 1.00 0.00 H new ATOM 0 HH TYR A 73 0.126 -14.674 -0.579 1.00 0.00 H new ATOM 1128 N SER A 74 -5.888 -12.681 -2.406 1.00 0.00 N ATOM 1129 CA SER A 74 -5.795 -13.653 -3.489 1.00 0.00 C ATOM 1130 C SER A 74 -6.250 -13.038 -4.810 1.00 0.00 C ATOM 1131 O SER A 74 -5.563 -13.148 -5.825 1.00 0.00 O ATOM 1132 CB SER A 74 -6.641 -14.887 -3.170 1.00 0.00 C ATOM 1133 OG SER A 74 -6.491 -15.881 -4.169 1.00 0.00 O ATOM 0 H SER A 74 -6.534 -12.941 -1.660 1.00 0.00 H new ATOM 0 HA SER A 74 -4.752 -13.953 -3.587 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.347 -15.293 -2.202 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.690 -14.602 -3.091 1.00 0.00 H new ATOM 0 HG SER A 74 -7.041 -16.660 -3.941 1.00 0.00 H new ATOM 1139 N GLN A 75 -7.411 -12.392 -4.786 1.00 0.00 N ATOM 1140 CA GLN A 75 -7.958 -11.761 -5.981 1.00 0.00 C ATOM 1141 C GLN A 75 -6.872 -11.011 -6.746 1.00 0.00 C ATOM 1142 O GLN A 75 -6.621 -11.288 -7.919 1.00 0.00 O ATOM 1143 CB GLN A 75 -9.088 -10.802 -5.604 1.00 0.00 C ATOM 1144 CG GLN A 75 -9.973 -10.413 -6.778 1.00 0.00 C ATOM 1145 CD GLN A 75 -10.973 -11.495 -7.138 1.00 0.00 C ATOM 1146 OE1 GLN A 75 -12.125 -11.460 -6.703 1.00 0.00 O ATOM 1147 NE2 GLN A 75 -10.537 -12.462 -7.936 1.00 0.00 N ATOM 0 H GLN A 75 -7.991 -12.292 -3.953 1.00 0.00 H new ATOM 0 HA GLN A 75 -8.356 -12.544 -6.626 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -9.704 -11.265 -4.833 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -8.658 -9.900 -5.169 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.508 -9.495 -6.536 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -9.347 -10.199 -7.645 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -9.574 -12.450 -8.272 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -11.165 -13.217 -8.213 1.00 0.00 H new ATOM 1156 N VAL A 76 -6.232 -10.059 -6.074 1.00 0.00 N ATOM 1157 CA VAL A 76 -5.172 -9.270 -6.690 1.00 0.00 C ATOM 1158 C VAL A 76 -3.917 -10.107 -6.905 1.00 0.00 C ATOM 1159 O VAL A 76 -3.016 -9.716 -7.649 1.00 0.00 O ATOM 1160 CB VAL A 76 -4.816 -8.041 -5.832 1.00 0.00 C ATOM 1161 CG1 VAL A 76 -3.801 -7.164 -6.549 1.00 0.00 C ATOM 1162 CG2 VAL A 76 -6.069 -7.250 -5.489 1.00 0.00 C ATOM 0 H VAL A 76 -6.429 -9.816 -5.103 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.549 -8.933 -7.655 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.367 -8.388 -4.901 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.562 -6.301 -5.927 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.894 -7.738 -6.738 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.219 -6.824 -7.497 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.799 -6.385 -4.883 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.549 -6.913 -6.408 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -6.758 -7.884 -4.931 1.00 0.00 H new ATOM 1172 N LEU A 77 -3.863 -11.261 -6.250 1.00 0.00 N ATOM 1173 CA LEU A 77 -2.717 -12.156 -6.370 1.00 0.00 C ATOM 1174 C LEU A 77 -2.693 -12.830 -7.738 1.00 0.00 C ATOM 1175 O LEU A 77 -1.684 -12.796 -8.441 1.00 0.00 O ATOM 1176 CB LEU A 77 -2.756 -13.216 -5.267 1.00 0.00 C ATOM 1177 CG LEU A 77 -1.400 -13.749 -4.801 1.00 0.00 C ATOM 1178 CD1 LEU A 77 -1.573 -14.675 -3.607 1.00 0.00 C ATOM 1179 CD2 LEU A 77 -0.690 -14.468 -5.938 1.00 0.00 C ATOM 0 H LEU A 77 -4.599 -11.599 -5.630 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.810 -11.561 -6.263 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.275 -12.796 -4.405 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.353 -14.057 -5.620 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.785 -12.904 -4.493 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.598 -15.045 -3.289 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.039 -14.128 -2.787 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.206 -15.517 -3.888 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.273 -14.840 -5.588 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.301 -15.304 -6.277 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.532 -13.775 -6.765 1.00 0.00 H new ATOM 1191 N GLY A 78 -3.813 -13.442 -8.111 1.00 0.00 N ATOM 1192 CA GLY A 78 -3.900 -14.113 -9.395 1.00 0.00 C ATOM 1193 C GLY A 78 -3.833 -13.146 -10.560 1.00 0.00 C ATOM 1194 O GLY A 78 -3.199 -13.432 -11.577 1.00 0.00 O ATOM 0 H GLY A 78 -4.662 -13.485 -7.547 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -3.088 -14.836 -9.480 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.833 -14.674 -9.446 1.00 0.00 H new ATOM 1198 N LEU A 79 -4.488 -12.000 -10.414 1.00 0.00 N ATOM 1199 CA LEU A 79 -4.501 -10.987 -11.465 1.00 0.00 C ATOM 1200 C LEU A 79 -3.082 -10.620 -11.885 1.00 0.00 C ATOM 1201 O LEU A 79 -2.787 -10.497 -13.073 1.00 0.00 O ATOM 1202 CB LEU A 79 -5.243 -9.738 -10.986 1.00 0.00 C ATOM 1203 CG LEU A 79 -6.769 -9.832 -10.960 1.00 0.00 C ATOM 1204 CD1 LEU A 79 -7.360 -8.686 -10.154 1.00 0.00 C ATOM 1205 CD2 LEU A 79 -7.327 -9.835 -12.375 1.00 0.00 C ATOM 0 H LEU A 79 -5.017 -11.748 -9.579 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.020 -11.401 -12.329 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.897 -9.497 -9.981 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.961 -8.904 -11.629 1.00 0.00 H new ATOM 0 HG LEU A 79 -7.048 -10.769 -10.479 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.447 -8.769 -10.146 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.986 -8.729 -9.131 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.072 -7.737 -10.606 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -8.414 -9.902 -12.337 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.038 -8.914 -12.882 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.929 -10.690 -12.921 1.00 0.00 H new ATOM 1217 N GLY A 80 -2.204 -10.449 -10.901 1.00 0.00 N ATOM 1218 CA GLY A 80 -0.825 -10.100 -11.190 1.00 0.00 C ATOM 1219 C GLY A 80 -0.456 -8.722 -10.676 1.00 0.00 C ATOM 1220 O GLY A 80 0.399 -8.047 -11.248 1.00 0.00 O ATOM 0 H GLY A 80 -2.423 -10.546 -9.909 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -0.164 -10.841 -10.741 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -0.662 -10.139 -12.267 1.00 0.00 H new ATOM 1224 N GLY A 81 -1.105 -8.302 -9.594 1.00 0.00 N ATOM 1225 CA GLY A 81 -0.828 -6.996 -9.024 1.00 0.00 C ATOM 1226 C GLY A 81 0.220 -7.053 -7.930 1.00 0.00 C ATOM 1227 O GLY A 81 0.667 -8.133 -7.544 1.00 0.00 O ATOM 0 H GLY A 81 -1.817 -8.842 -9.102 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.490 -6.323 -9.812 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.749 -6.576 -8.619 1.00 0.00 H new ATOM 1231 N ARG A 82 0.614 -5.886 -7.430 1.00 0.00 N ATOM 1232 CA ARG A 82 1.618 -5.807 -6.376 1.00 0.00 C ATOM 1233 C ARG A 82 0.960 -5.659 -5.007 1.00 0.00 C ATOM 1234 O ARG A 82 0.459 -4.589 -4.661 1.00 0.00 O ATOM 1235 CB ARG A 82 2.563 -4.630 -6.629 1.00 0.00 C ATOM 1236 CG ARG A 82 3.481 -4.323 -5.457 1.00 0.00 C ATOM 1237 CD ARG A 82 4.547 -3.307 -5.837 1.00 0.00 C ATOM 1238 NE ARG A 82 3.999 -2.207 -6.625 1.00 0.00 N ATOM 1239 CZ ARG A 82 3.928 -2.217 -7.952 1.00 0.00 C ATOM 1240 NH1 ARG A 82 4.368 -3.266 -8.634 1.00 0.00 N ATOM 1241 NH2 ARG A 82 3.416 -1.178 -8.598 1.00 0.00 N ATOM 0 H ARG A 82 0.253 -4.983 -7.738 1.00 0.00 H new ATOM 0 HA ARG A 82 2.192 -6.734 -6.386 1.00 0.00 H new ATOM 0 HB2 ARG A 82 3.170 -4.845 -7.508 1.00 0.00 H new ATOM 0 HB3 ARG A 82 1.972 -3.743 -6.859 1.00 0.00 H new ATOM 0 HG2 ARG A 82 2.893 -3.940 -4.623 1.00 0.00 H new ATOM 0 HG3 ARG A 82 3.958 -5.242 -5.116 1.00 0.00 H new ATOM 0 HD2 ARG A 82 5.008 -2.910 -4.933 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.334 -3.803 -6.405 1.00 0.00 H new ATOM 0 HE ARG A 82 3.652 -1.386 -6.130 1.00 0.00 H new ATOM 0 HH11 ARG A 82 4.762 -4.067 -8.140 1.00 0.00 H new ATOM 0 HH12 ARG A 82 4.313 -3.272 -9.652 1.00 0.00 H new ATOM 0 HH21 ARG A 82 3.076 -0.370 -8.076 1.00 0.00 H new ATOM 0 HH22 ARG A 82 3.362 -1.187 -9.617 1.00 0.00 H new ATOM 1255 N ILE A 83 0.964 -6.740 -4.235 1.00 0.00 N ATOM 1256 CA ILE A 83 0.368 -6.730 -2.905 1.00 0.00 C ATOM 1257 C ILE A 83 1.401 -6.372 -1.842 1.00 0.00 C ATOM 1258 O ILE A 83 2.340 -7.129 -1.594 1.00 0.00 O ATOM 1259 CB ILE A 83 -0.258 -8.094 -2.558 1.00 0.00 C ATOM 1260 CG1 ILE A 83 -1.145 -8.579 -3.706 1.00 0.00 C ATOM 1261 CG2 ILE A 83 -1.058 -7.997 -1.268 1.00 0.00 C ATOM 1262 CD1 ILE A 83 -1.488 -10.050 -3.625 1.00 0.00 C ATOM 0 H ILE A 83 1.373 -7.634 -4.507 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.415 -5.972 -2.916 1.00 0.00 H new ATOM 0 HB ILE A 83 0.543 -8.818 -2.412 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.068 -7.999 -3.711 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.640 -8.384 -4.652 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.494 -8.969 -1.036 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.401 -7.691 -0.454 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.854 -7.262 -1.388 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -2.119 -10.324 -4.471 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.571 -10.639 -3.650 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.021 -10.249 -2.695 1.00 0.00 H new ATOM 1274 N VAL A 84 1.220 -5.214 -1.214 1.00 0.00 N ATOM 1275 CA VAL A 84 2.135 -4.757 -0.175 1.00 0.00 C ATOM 1276 C VAL A 84 1.378 -4.366 1.090 1.00 0.00 C ATOM 1277 O VAL A 84 0.223 -3.944 1.029 1.00 0.00 O ATOM 1278 CB VAL A 84 2.971 -3.555 -0.652 1.00 0.00 C ATOM 1279 CG1 VAL A 84 3.959 -3.984 -1.726 1.00 0.00 C ATOM 1280 CG2 VAL A 84 2.064 -2.445 -1.163 1.00 0.00 C ATOM 0 H VAL A 84 0.448 -4.576 -1.407 1.00 0.00 H new ATOM 0 HA VAL A 84 2.803 -5.589 0.047 1.00 0.00 H new ATOM 0 HB VAL A 84 3.538 -3.169 0.196 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.541 -3.121 -2.051 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.629 -4.742 -1.322 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.416 -4.396 -2.576 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.671 -1.603 -1.496 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.469 -2.816 -1.998 1.00 0.00 H new ATOM 0 HG23 VAL A 84 1.401 -2.119 -0.362 1.00 0.00 H new ATOM 1290 N ARG A 85 2.038 -4.508 2.235 1.00 0.00 N ATOM 1291 CA ARG A 85 1.427 -4.170 3.515 1.00 0.00 C ATOM 1292 C ARG A 85 1.129 -2.676 3.597 1.00 0.00 C ATOM 1293 O ARG A 85 1.542 -1.901 2.735 1.00 0.00 O ATOM 1294 CB ARG A 85 2.346 -4.582 4.667 1.00 0.00 C ATOM 1295 CG ARG A 85 2.440 -6.086 4.863 1.00 0.00 C ATOM 1296 CD ARG A 85 3.521 -6.450 5.870 1.00 0.00 C ATOM 1297 NE ARG A 85 3.034 -6.375 7.245 1.00 0.00 N ATOM 1298 CZ ARG A 85 3.577 -7.049 8.253 1.00 0.00 C ATOM 1299 NH1 ARG A 85 4.618 -7.842 8.041 1.00 0.00 N ATOM 1300 NH2 ARG A 85 3.078 -6.929 9.477 1.00 0.00 N ATOM 0 H ARG A 85 2.995 -4.854 2.302 1.00 0.00 H new ATOM 0 HA ARG A 85 0.487 -4.715 3.596 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.344 -4.185 4.484 1.00 0.00 H new ATOM 0 HB3 ARG A 85 1.986 -4.126 5.589 1.00 0.00 H new ATOM 0 HG2 ARG A 85 1.479 -6.470 5.204 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.654 -6.566 3.908 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.881 -7.459 5.667 1.00 0.00 H new ATOM 0 HD3 ARG A 85 4.371 -5.778 5.749 1.00 0.00 H new ATOM 0 HE ARG A 85 2.234 -5.773 7.442 1.00 0.00 H new ATOM 0 HH11 ARG A 85 5.005 -7.936 7.102 1.00 0.00 H new ATOM 0 HH12 ARG A 85 5.032 -8.358 8.817 1.00 0.00 H new ATOM 0 HH21 ARG A 85 2.278 -6.319 9.644 1.00 0.00 H new ATOM 0 HH22 ARG A 85 3.495 -7.447 10.251 1.00 0.00 H new ATOM 1314 N LYS A 86 0.408 -2.279 4.640 1.00 0.00 N ATOM 1315 CA LYS A 86 0.053 -0.878 4.837 1.00 0.00 C ATOM 1316 C LYS A 86 1.246 -0.083 5.359 1.00 0.00 C ATOM 1317 O LYS A 86 1.313 1.134 5.191 1.00 0.00 O ATOM 1318 CB LYS A 86 -1.119 -0.760 5.814 1.00 0.00 C ATOM 1319 CG LYS A 86 -0.852 -1.401 7.165 1.00 0.00 C ATOM 1320 CD LYS A 86 -1.708 -0.779 8.256 1.00 0.00 C ATOM 1321 CE LYS A 86 -1.893 -1.729 9.429 1.00 0.00 C ATOM 1322 NZ LYS A 86 -0.646 -1.870 10.231 1.00 0.00 N ATOM 0 H LYS A 86 0.058 -2.908 5.363 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.243 -0.465 3.873 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -1.353 0.294 5.961 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.000 -1.223 5.369 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.054 -2.471 7.108 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.202 -1.289 7.420 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -1.243 0.143 8.603 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.682 -0.510 7.847 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.697 -1.364 10.069 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.199 -2.707 9.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -0.813 -2.526 11.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 0.115 -2.242 9.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -0.367 -0.941 10.606 1.00 0.00 H new ATOM 1336 N GLU A 87 2.185 -0.780 5.991 1.00 0.00 N ATOM 1337 CA GLU A 87 3.375 -0.138 6.537 1.00 0.00 C ATOM 1338 C GLU A 87 4.044 0.747 5.489 1.00 0.00 C ATOM 1339 O GLU A 87 4.539 1.830 5.801 1.00 0.00 O ATOM 1340 CB GLU A 87 4.366 -1.191 7.038 1.00 0.00 C ATOM 1341 CG GLU A 87 3.912 -1.898 8.305 1.00 0.00 C ATOM 1342 CD GLU A 87 4.297 -1.145 9.563 1.00 0.00 C ATOM 1343 OE1 GLU A 87 4.546 0.076 9.470 1.00 0.00 O ATOM 1344 OE2 GLU A 87 4.349 -1.775 10.640 1.00 0.00 O ATOM 0 H GLU A 87 2.145 -1.789 6.137 1.00 0.00 H new ATOM 0 HA GLU A 87 3.067 0.488 7.374 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.523 -1.932 6.254 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.328 -0.714 7.223 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.830 -2.024 8.278 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.348 -2.896 8.336 1.00 0.00 H new ATOM 1351 N TRP A 88 4.056 0.277 4.247 1.00 0.00 N ATOM 1352 CA TRP A 88 4.665 1.025 3.152 1.00 0.00 C ATOM 1353 C TRP A 88 4.228 2.485 3.182 1.00 0.00 C ATOM 1354 O TRP A 88 5.041 3.390 2.991 1.00 0.00 O ATOM 1355 CB TRP A 88 4.293 0.396 1.809 1.00 0.00 C ATOM 1356 CG TRP A 88 4.909 1.095 0.635 1.00 0.00 C ATOM 1357 CD1 TRP A 88 6.233 1.372 0.448 1.00 0.00 C ATOM 1358 CD2 TRP A 88 4.224 1.608 -0.513 1.00 0.00 C ATOM 1359 NE1 TRP A 88 6.412 2.026 -0.747 1.00 0.00 N ATOM 1360 CE2 TRP A 88 5.196 2.182 -1.356 1.00 0.00 C ATOM 1361 CE3 TRP A 88 2.885 1.635 -0.913 1.00 0.00 C ATOM 1362 CZ2 TRP A 88 4.868 2.777 -2.572 1.00 0.00 C ATOM 1363 CZ3 TRP A 88 2.562 2.227 -2.119 1.00 0.00 C ATOM 1364 CH2 TRP A 88 3.550 2.790 -2.938 1.00 0.00 C ATOM 0 H TRP A 88 3.651 -0.618 3.973 1.00 0.00 H new ATOM 0 HA TRP A 88 5.747 0.986 3.276 1.00 0.00 H new ATOM 0 HB2 TRP A 88 4.605 -0.648 1.806 1.00 0.00 H new ATOM 0 HB3 TRP A 88 3.209 0.405 1.700 1.00 0.00 H new ATOM 0 HD1 TRP A 88 7.023 1.115 1.138 1.00 0.00 H new ATOM 0 HE1 TRP A 88 7.306 2.344 -1.120 1.00 0.00 H new ATOM 0 HE3 TRP A 88 2.117 1.201 -0.291 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 5.628 3.213 -3.204 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 1.530 2.256 -2.436 1.00 0.00 H new ATOM 0 HH2 TRP A 88 3.265 3.243 -3.876 1.00 0.00 H new ATOM 1375 N VAL A 89 2.941 2.709 3.424 1.00 0.00 N ATOM 1376 CA VAL A 89 2.397 4.061 3.481 1.00 0.00 C ATOM 1377 C VAL A 89 2.830 4.775 4.756 1.00 0.00 C ATOM 1378 O VAL A 89 3.464 5.830 4.706 1.00 0.00 O ATOM 1379 CB VAL A 89 0.858 4.051 3.409 1.00 0.00 C ATOM 1380 CG1 VAL A 89 0.310 5.466 3.502 1.00 0.00 C ATOM 1381 CG2 VAL A 89 0.390 3.371 2.131 1.00 0.00 C ATOM 0 H VAL A 89 2.255 1.971 3.584 1.00 0.00 H new ATOM 0 HA VAL A 89 2.790 4.596 2.617 1.00 0.00 H new ATOM 0 HB VAL A 89 0.475 3.483 4.257 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.778 5.439 3.449 1.00 0.00 H new ATOM 0 HG12 VAL A 89 0.617 5.913 4.447 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.698 6.062 2.676 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.699 3.372 2.096 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.782 3.909 1.268 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.752 2.343 2.112 1.00 0.00 H new ATOM 1391 N LEU A 90 2.486 4.193 5.899 1.00 0.00 N ATOM 1392 CA LEU A 90 2.840 4.773 7.190 1.00 0.00 C ATOM 1393 C LEU A 90 4.274 5.292 7.179 1.00 0.00 C ATOM 1394 O LEU A 90 4.508 6.500 7.182 1.00 0.00 O ATOM 1395 CB LEU A 90 2.669 3.736 8.302 1.00 0.00 C ATOM 1396 CG LEU A 90 1.241 3.249 8.553 1.00 0.00 C ATOM 1397 CD1 LEU A 90 1.250 1.844 9.134 1.00 0.00 C ATOM 1398 CD2 LEU A 90 0.507 4.207 9.479 1.00 0.00 C ATOM 0 H LEU A 90 1.962 3.320 5.959 1.00 0.00 H new ATOM 0 HA LEU A 90 2.171 5.612 7.379 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.289 2.872 8.064 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.055 4.160 9.229 1.00 0.00 H new ATOM 0 HG LEU A 90 0.714 3.221 7.599 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.225 1.515 9.306 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.737 1.164 8.435 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.794 1.844 10.078 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.507 3.845 9.647 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.033 4.267 10.432 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.469 5.196 9.023 1.00 0.00 H new ATOM 1410 N ASP A 91 5.231 4.370 7.165 1.00 0.00 N ATOM 1411 CA ASP A 91 6.643 4.734 7.150 1.00 0.00 C ATOM 1412 C ASP A 91 6.904 5.858 6.151 1.00 0.00 C ATOM 1413 O ASP A 91 7.574 6.841 6.469 1.00 0.00 O ATOM 1414 CB ASP A 91 7.502 3.517 6.803 1.00 0.00 C ATOM 1415 CG ASP A 91 7.497 2.473 7.902 1.00 0.00 C ATOM 1416 OD1 ASP A 91 6.556 1.653 7.936 1.00 0.00 O ATOM 1417 OD2 ASP A 91 8.433 2.476 8.729 1.00 0.00 O ATOM 0 H ASP A 91 5.054 3.365 7.164 1.00 0.00 H new ATOM 0 HA ASP A 91 6.912 5.087 8.145 1.00 0.00 H new ATOM 0 HB2 ASP A 91 7.136 3.069 5.879 1.00 0.00 H new ATOM 0 HB3 ASP A 91 8.526 3.840 6.617 1.00 0.00 H new ATOM 1422 N CYS A 92 6.372 5.704 4.944 1.00 0.00 N ATOM 1423 CA CYS A 92 6.549 6.705 3.898 1.00 0.00 C ATOM 1424 C CYS A 92 6.079 8.076 4.372 1.00 0.00 C ATOM 1425 O CYS A 92 6.766 9.067 4.125 1.00 0.00 O ATOM 1426 CB CYS A 92 5.782 6.297 2.638 1.00 0.00 C ATOM 1427 SG CYS A 92 6.739 5.283 1.488 1.00 0.00 S ATOM 0 H CYS A 92 5.815 4.896 4.665 1.00 0.00 H new ATOM 0 HA CYS A 92 7.612 6.766 3.664 1.00 0.00 H new ATOM 0 HB2 CYS A 92 4.887 5.748 2.932 1.00 0.00 H new ATOM 0 HB3 CYS A 92 5.448 7.197 2.121 1.00 0.00 H new ATOM 0 HG CYS A 92 6.420 4.032 1.643 1.00 0.00 H new ATOM 1433 N HIS A 93 4.931 8.105 5.033 1.00 0.00 N ATOM 1434 CA HIS A 93 4.385 9.356 5.531 1.00 0.00 C ATOM 1435 C HIS A 93 5.214 9.839 6.723 1.00 0.00 C ATOM 1436 O HIS A 93 5.851 10.892 6.692 1.00 0.00 O ATOM 1437 CB HIS A 93 2.900 9.207 5.863 1.00 0.00 C ATOM 1438 CG HIS A 93 2.313 10.388 6.598 1.00 0.00 C ATOM 1439 ND1 HIS A 93 2.480 10.584 7.958 1.00 0.00 N ATOM 1440 CD2 HIS A 93 1.559 11.432 6.148 1.00 0.00 C ATOM 1441 CE1 HIS A 93 1.852 11.699 8.300 1.00 0.00 C ATOM 1442 NE2 HIS A 93 1.281 12.223 7.178 1.00 0.00 N ATOM 0 H HIS A 93 4.364 7.282 5.235 1.00 0.00 H new ATOM 0 HA HIS A 93 4.449 10.119 4.755 1.00 0.00 H new ATOM 0 HB2 HIS A 93 2.345 9.056 4.937 1.00 0.00 H new ATOM 0 HB3 HIS A 93 2.762 8.311 6.468 1.00 0.00 H new ATOM 0 HD2 HIS A 93 1.242 11.589 5.128 1.00 0.00 H new ATOM 0 HE1 HIS A 93 1.801 12.119 9.293 1.00 0.00 H new ATOM 0 HE2 HIS A 93 0.731 13.081 7.137 1.00 0.00 H new ATOM 1450 N ARG A 94 5.191 9.039 7.784 1.00 0.00 N ATOM 1451 CA ARG A 94 5.928 9.360 9.000 1.00 0.00 C ATOM 1452 C ARG A 94 7.318 9.894 8.668 1.00 0.00 C ATOM 1453 O ARG A 94 7.769 10.883 9.245 1.00 0.00 O ATOM 1454 CB ARG A 94 6.045 8.124 9.893 1.00 0.00 C ATOM 1455 CG ARG A 94 6.757 8.389 11.210 1.00 0.00 C ATOM 1456 CD ARG A 94 5.816 8.993 12.240 1.00 0.00 C ATOM 1457 NE ARG A 94 5.131 7.968 13.024 1.00 0.00 N ATOM 1458 CZ ARG A 94 5.741 7.196 13.916 1.00 0.00 C ATOM 1459 NH1 ARG A 94 7.041 7.332 14.138 1.00 0.00 N ATOM 1460 NH2 ARG A 94 5.050 6.285 14.590 1.00 0.00 N ATOM 0 H ARG A 94 4.670 8.163 7.826 1.00 0.00 H new ATOM 0 HA ARG A 94 5.378 10.135 9.534 1.00 0.00 H new ATOM 0 HB2 ARG A 94 5.046 7.740 10.101 1.00 0.00 H new ATOM 0 HB3 ARG A 94 6.580 7.344 9.351 1.00 0.00 H new ATOM 0 HG2 ARG A 94 7.170 7.457 11.595 1.00 0.00 H new ATOM 0 HG3 ARG A 94 7.596 9.064 11.042 1.00 0.00 H new ATOM 0 HD2 ARG A 94 6.380 9.644 12.908 1.00 0.00 H new ATOM 0 HD3 ARG A 94 5.078 9.617 11.735 1.00 0.00 H new ATOM 0 HE ARG A 94 4.130 7.838 12.878 1.00 0.00 H new ATOM 0 HH11 ARG A 94 7.576 8.031 13.623 1.00 0.00 H new ATOM 0 HH12 ARG A 94 7.506 6.737 14.824 1.00 0.00 H new ATOM 0 HH21 ARG A 94 4.050 6.177 14.423 1.00 0.00 H new ATOM 0 HH22 ARG A 94 5.519 5.693 15.275 1.00 0.00 H new ATOM 1474 N MET A 95 7.993 9.231 7.734 1.00 0.00 N ATOM 1475 CA MET A 95 9.332 9.640 7.324 1.00 0.00 C ATOM 1476 C MET A 95 9.269 10.609 6.148 1.00 0.00 C ATOM 1477 O MET A 95 10.269 11.230 5.789 1.00 0.00 O ATOM 1478 CB MET A 95 10.169 8.416 6.947 1.00 0.00 C ATOM 1479 CG MET A 95 10.322 7.413 8.079 1.00 0.00 C ATOM 1480 SD MET A 95 11.853 6.467 7.966 1.00 0.00 S ATOM 1481 CE MET A 95 11.211 4.811 7.729 1.00 0.00 C ATOM 0 H MET A 95 7.635 8.409 7.247 1.00 0.00 H new ATOM 0 HA MET A 95 9.803 10.148 8.165 1.00 0.00 H new ATOM 0 HB2 MET A 95 9.708 7.920 6.093 1.00 0.00 H new ATOM 0 HB3 MET A 95 11.158 8.746 6.629 1.00 0.00 H new ATOM 0 HG2 MET A 95 10.295 7.940 9.033 1.00 0.00 H new ATOM 0 HG3 MET A 95 9.474 6.728 8.069 1.00 0.00 H new ATOM 0 HE1 MET A 95 12.038 4.102 7.695 1.00 0.00 H new ATOM 0 HE2 MET A 95 10.548 4.556 8.556 1.00 0.00 H new ATOM 0 HE3 MET A 95 10.656 4.767 6.792 1.00 0.00 H new ATOM 1491 N ARG A 96 8.087 10.732 5.551 1.00 0.00 N ATOM 1492 CA ARG A 96 7.895 11.624 4.415 1.00 0.00 C ATOM 1493 C ARG A 96 8.951 11.374 3.342 1.00 0.00 C ATOM 1494 O ARG A 96 9.497 12.314 2.764 1.00 0.00 O ATOM 1495 CB ARG A 96 7.950 13.084 4.869 1.00 0.00 C ATOM 1496 CG ARG A 96 7.010 13.398 6.022 1.00 0.00 C ATOM 1497 CD ARG A 96 7.154 14.841 6.480 1.00 0.00 C ATOM 1498 NE ARG A 96 8.184 14.991 7.504 1.00 0.00 N ATOM 1499 CZ ARG A 96 8.050 14.554 8.751 1.00 0.00 C ATOM 1500 NH1 ARG A 96 6.935 13.943 9.127 1.00 0.00 N ATOM 1501 NH2 ARG A 96 9.033 14.728 9.625 1.00 0.00 N ATOM 0 H ARG A 96 7.249 10.225 5.836 1.00 0.00 H new ATOM 0 HA ARG A 96 6.913 11.420 3.989 1.00 0.00 H new ATOM 0 HB2 ARG A 96 8.970 13.325 5.167 1.00 0.00 H new ATOM 0 HB3 ARG A 96 7.704 13.728 4.025 1.00 0.00 H new ATOM 0 HG2 ARG A 96 5.981 13.214 5.714 1.00 0.00 H new ATOM 0 HG3 ARG A 96 7.218 12.728 6.856 1.00 0.00 H new ATOM 0 HD2 ARG A 96 7.400 15.470 5.624 1.00 0.00 H new ATOM 0 HD3 ARG A 96 6.200 15.194 6.871 1.00 0.00 H new ATOM 0 HE ARG A 96 9.054 15.457 7.248 1.00 0.00 H new ATOM 0 HH11 ARG A 96 6.177 13.807 8.458 1.00 0.00 H new ATOM 0 HH12 ARG A 96 6.835 13.608 10.085 1.00 0.00 H new ATOM 0 HH21 ARG A 96 9.892 15.198 9.339 1.00 0.00 H new ATOM 0 HH22 ARG A 96 8.929 14.392 10.583 1.00 0.00 H new ATOM 1515 N ARG A 97 9.235 10.102 3.083 1.00 0.00 N ATOM 1516 CA ARG A 97 10.227 9.729 2.082 1.00 0.00 C ATOM 1517 C ARG A 97 9.729 8.564 1.231 1.00 0.00 C ATOM 1518 O ARG A 97 8.839 7.819 1.641 1.00 0.00 O ATOM 1519 CB ARG A 97 11.547 9.353 2.758 1.00 0.00 C ATOM 1520 CG ARG A 97 11.411 8.240 3.784 1.00 0.00 C ATOM 1521 CD ARG A 97 12.770 7.770 4.279 1.00 0.00 C ATOM 1522 NE ARG A 97 13.558 8.865 4.839 1.00 0.00 N ATOM 1523 CZ ARG A 97 14.547 8.689 5.708 1.00 0.00 C ATOM 1524 NH1 ARG A 97 14.868 7.468 6.114 1.00 0.00 N ATOM 1525 NH2 ARG A 97 15.218 9.736 6.172 1.00 0.00 N ATOM 0 H ARG A 97 8.792 9.312 3.553 1.00 0.00 H new ATOM 0 HA ARG A 97 10.391 10.588 1.431 1.00 0.00 H new ATOM 0 HB2 ARG A 97 12.262 9.046 1.994 1.00 0.00 H new ATOM 0 HB3 ARG A 97 11.960 10.236 3.245 1.00 0.00 H new ATOM 0 HG2 ARG A 97 10.817 8.592 4.628 1.00 0.00 H new ATOM 0 HG3 ARG A 97 10.873 7.401 3.343 1.00 0.00 H new ATOM 0 HD2 ARG A 97 12.633 6.998 5.036 1.00 0.00 H new ATOM 0 HD3 ARG A 97 13.318 7.314 3.455 1.00 0.00 H new ATOM 0 HE ARG A 97 13.337 9.817 4.547 1.00 0.00 H new ATOM 0 HH11 ARG A 97 14.355 6.661 5.759 1.00 0.00 H new ATOM 0 HH12 ARG A 97 15.628 7.336 6.781 1.00 0.00 H new ATOM 0 HH21 ARG A 97 14.974 10.676 5.861 1.00 0.00 H new ATOM 0 HH22 ARG A 97 15.977 9.600 6.839 1.00 0.00 H new ATOM 1539 N ARG A 98 10.309 8.415 0.045 1.00 0.00 N ATOM 1540 CA ARG A 98 9.923 7.342 -0.864 1.00 0.00 C ATOM 1541 C ARG A 98 10.679 6.057 -0.541 1.00 0.00 C ATOM 1542 O ARG A 98 11.876 5.943 -0.811 1.00 0.00 O ATOM 1543 CB ARG A 98 10.190 7.753 -2.314 1.00 0.00 C ATOM 1544 CG ARG A 98 9.888 6.657 -3.323 1.00 0.00 C ATOM 1545 CD ARG A 98 9.574 7.234 -4.694 1.00 0.00 C ATOM 1546 NE ARG A 98 9.893 6.297 -5.768 1.00 0.00 N ATOM 1547 CZ ARG A 98 11.132 6.022 -6.159 1.00 0.00 C ATOM 1548 NH1 ARG A 98 12.163 6.608 -5.568 1.00 0.00 N ATOM 1549 NH2 ARG A 98 11.341 5.157 -7.144 1.00 0.00 N ATOM 0 H ARG A 98 11.047 9.023 -0.309 1.00 0.00 H new ATOM 0 HA ARG A 98 8.856 7.157 -0.736 1.00 0.00 H new ATOM 0 HB2 ARG A 98 9.587 8.630 -2.551 1.00 0.00 H new ATOM 0 HB3 ARG A 98 11.235 8.048 -2.413 1.00 0.00 H new ATOM 0 HG2 ARG A 98 10.742 5.984 -3.397 1.00 0.00 H new ATOM 0 HG3 ARG A 98 9.043 6.063 -2.975 1.00 0.00 H new ATOM 0 HD2 ARG A 98 8.517 7.496 -4.744 1.00 0.00 H new ATOM 0 HD3 ARG A 98 10.138 8.156 -4.837 1.00 0.00 H new ATOM 0 HE ARG A 98 9.122 5.828 -6.244 1.00 0.00 H new ATOM 0 HH11 ARG A 98 12.006 7.273 -4.810 1.00 0.00 H new ATOM 0 HH12 ARG A 98 13.113 6.394 -5.871 1.00 0.00 H new ATOM 0 HH21 ARG A 98 10.550 4.703 -7.601 1.00 0.00 H new ATOM 0 HH22 ARG A 98 12.293 4.946 -7.444 1.00 0.00 H new ATOM 1563 N LEU A 99 9.974 5.092 0.039 1.00 0.00 N ATOM 1564 CA LEU A 99 10.578 3.814 0.400 1.00 0.00 C ATOM 1565 C LEU A 99 10.205 2.731 -0.607 1.00 0.00 C ATOM 1566 O LEU A 99 9.126 2.747 -1.201 1.00 0.00 O ATOM 1567 CB LEU A 99 10.135 3.396 1.803 1.00 0.00 C ATOM 1568 CG LEU A 99 10.277 4.456 2.896 1.00 0.00 C ATOM 1569 CD1 LEU A 99 9.289 4.198 4.022 1.00 0.00 C ATOM 1570 CD2 LEU A 99 11.702 4.484 3.430 1.00 0.00 C ATOM 0 H LEU A 99 8.983 5.170 0.269 1.00 0.00 H new ATOM 0 HA LEU A 99 11.661 3.937 0.389 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.090 3.089 1.756 1.00 0.00 H new ATOM 0 HB3 LEU A 99 10.712 2.519 2.098 1.00 0.00 H new ATOM 0 HG LEU A 99 10.054 5.430 2.461 1.00 0.00 H new ATOM 0 HD11 LEU A 99 9.405 4.962 4.790 1.00 0.00 H new ATOM 0 HD12 LEU A 99 8.273 4.230 3.629 1.00 0.00 H new ATOM 0 HD13 LEU A 99 9.480 3.216 4.455 1.00 0.00 H new ATOM 0 HD21 LEU A 99 11.785 5.244 4.207 1.00 0.00 H new ATOM 0 HD22 LEU A 99 11.953 3.509 3.848 1.00 0.00 H new ATOM 0 HD23 LEU A 99 12.390 4.719 2.618 1.00 0.00 H new ATOM 1582 N PRO A 100 11.115 1.766 -0.804 1.00 0.00 N ATOM 1583 CA PRO A 100 10.903 0.656 -1.738 1.00 0.00 C ATOM 1584 C PRO A 100 9.835 -0.316 -1.248 1.00 0.00 C ATOM 1585 O PRO A 100 9.881 -0.781 -0.109 1.00 0.00 O ATOM 1586 CB PRO A 100 12.269 -0.032 -1.788 1.00 0.00 C ATOM 1587 CG PRO A 100 12.913 0.309 -0.488 1.00 0.00 C ATOM 1588 CD PRO A 100 12.422 1.685 -0.131 1.00 0.00 C ATOM 0 HA PRO A 100 10.550 1.002 -2.709 1.00 0.00 H new ATOM 0 HB2 PRO A 100 12.165 -1.110 -1.907 1.00 0.00 H new ATOM 0 HB3 PRO A 100 12.862 0.326 -2.630 1.00 0.00 H new ATOM 0 HG2 PRO A 100 12.644 -0.414 0.282 1.00 0.00 H new ATOM 0 HG3 PRO A 100 13.999 0.293 -0.574 1.00 0.00 H new ATOM 0 HD2 PRO A 100 12.327 1.810 0.948 1.00 0.00 H new ATOM 0 HD3 PRO A 100 13.104 2.459 -0.483 1.00 0.00 H new ATOM 1596 N SER A 101 8.875 -0.619 -2.116 1.00 0.00 N ATOM 1597 CA SER A 101 7.793 -1.534 -1.770 1.00 0.00 C ATOM 1598 C SER A 101 8.305 -2.968 -1.669 1.00 0.00 C ATOM 1599 O SER A 101 7.597 -3.859 -1.203 1.00 0.00 O ATOM 1600 CB SER A 101 6.675 -1.452 -2.811 1.00 0.00 C ATOM 1601 OG SER A 101 7.168 -1.727 -4.111 1.00 0.00 O ATOM 0 H SER A 101 8.824 -0.245 -3.063 1.00 0.00 H new ATOM 0 HA SER A 101 7.398 -1.239 -0.798 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.887 -2.162 -2.560 1.00 0.00 H new ATOM 0 HB3 SER A 101 6.227 -0.458 -2.791 1.00 0.00 H new ATOM 0 HG SER A 101 6.546 -1.370 -4.779 1.00 0.00 H new ATOM 1607 N GLN A 102 9.541 -3.180 -2.110 1.00 0.00 N ATOM 1608 CA GLN A 102 10.149 -4.505 -2.070 1.00 0.00 C ATOM 1609 C GLN A 102 10.110 -5.080 -0.657 1.00 0.00 C ATOM 1610 O GLN A 102 9.624 -6.190 -0.442 1.00 0.00 O ATOM 1611 CB GLN A 102 11.594 -4.442 -2.568 1.00 0.00 C ATOM 1612 CG GLN A 102 11.713 -4.384 -4.082 1.00 0.00 C ATOM 1613 CD GLN A 102 13.008 -3.743 -4.541 1.00 0.00 C ATOM 1614 OE1 GLN A 102 13.971 -4.433 -4.878 1.00 0.00 O ATOM 1615 NE2 GLN A 102 13.040 -2.416 -4.556 1.00 0.00 N ATOM 0 H GLN A 102 10.140 -2.452 -2.499 1.00 0.00 H new ATOM 0 HA GLN A 102 9.575 -5.160 -2.725 1.00 0.00 H new ATOM 0 HB2 GLN A 102 12.079 -3.565 -2.140 1.00 0.00 H new ATOM 0 HB3 GLN A 102 12.134 -5.315 -2.203 1.00 0.00 H new ATOM 0 HG2 GLN A 102 11.648 -5.394 -4.487 1.00 0.00 H new ATOM 0 HG3 GLN A 102 10.871 -3.824 -4.488 1.00 0.00 H new ATOM 0 HE21 GLN A 102 12.219 -1.883 -4.269 1.00 0.00 H new ATOM 0 HE22 GLN A 102 13.885 -1.930 -4.855 1.00 0.00 H new ATOM 1624 N ARG A 103 10.625 -4.316 0.301 1.00 0.00 N ATOM 1625 CA ARG A 103 10.650 -4.750 1.692 1.00 0.00 C ATOM 1626 C ARG A 103 9.234 -4.929 2.232 1.00 0.00 C ATOM 1627 O ARG A 103 9.035 -5.501 3.304 1.00 0.00 O ATOM 1628 CB ARG A 103 11.410 -3.738 2.551 1.00 0.00 C ATOM 1629 CG ARG A 103 10.651 -2.441 2.779 1.00 0.00 C ATOM 1630 CD ARG A 103 11.404 -1.512 3.719 1.00 0.00 C ATOM 1631 NE ARG A 103 12.473 -0.791 3.034 1.00 0.00 N ATOM 1632 CZ ARG A 103 13.694 -1.284 2.854 1.00 0.00 C ATOM 1633 NH1 ARG A 103 13.997 -2.494 3.304 1.00 0.00 N ATOM 1634 NH2 ARG A 103 14.613 -0.567 2.221 1.00 0.00 N ATOM 0 H ARG A 103 11.030 -3.394 0.139 1.00 0.00 H new ATOM 0 HA ARG A 103 11.162 -5.711 1.737 1.00 0.00 H new ATOM 0 HB2 ARG A 103 11.637 -4.191 3.516 1.00 0.00 H new ATOM 0 HB3 ARG A 103 12.363 -3.512 2.073 1.00 0.00 H new ATOM 0 HG2 ARG A 103 10.489 -1.941 1.824 1.00 0.00 H new ATOM 0 HG3 ARG A 103 9.668 -2.662 3.194 1.00 0.00 H new ATOM 0 HD2 ARG A 103 10.708 -0.797 4.157 1.00 0.00 H new ATOM 0 HD3 ARG A 103 11.826 -2.091 4.541 1.00 0.00 H new ATOM 0 HE ARG A 103 12.272 0.142 2.674 1.00 0.00 H new ATOM 0 HH11 ARG A 103 13.292 -3.049 3.790 1.00 0.00 H new ATOM 0 HH12 ARG A 103 14.935 -2.870 3.164 1.00 0.00 H new ATOM 0 HH21 ARG A 103 14.383 0.363 1.872 1.00 0.00 H new ATOM 0 HH22 ARG A 103 15.550 -0.946 2.083 1.00 0.00 H new ATOM 1648 N TYR A 104 8.254 -4.437 1.482 1.00 0.00 N ATOM 1649 CA TYR A 104 6.857 -4.540 1.886 1.00 0.00 C ATOM 1650 C TYR A 104 6.085 -5.464 0.949 1.00 0.00 C ATOM 1651 O TYR A 104 4.876 -5.315 0.767 1.00 0.00 O ATOM 1652 CB TYR A 104 6.206 -3.156 1.905 1.00 0.00 C ATOM 1653 CG TYR A 104 6.903 -2.171 2.816 1.00 0.00 C ATOM 1654 CD1 TYR A 104 6.538 -2.052 4.152 1.00 0.00 C ATOM 1655 CD2 TYR A 104 7.928 -1.361 2.343 1.00 0.00 C ATOM 1656 CE1 TYR A 104 7.172 -1.153 4.988 1.00 0.00 C ATOM 1657 CE2 TYR A 104 8.568 -0.460 3.172 1.00 0.00 C ATOM 1658 CZ TYR A 104 8.186 -0.360 4.494 1.00 0.00 C ATOM 1659 OH TYR A 104 8.821 0.536 5.324 1.00 0.00 O ATOM 0 H TYR A 104 8.401 -3.963 0.591 1.00 0.00 H new ATOM 0 HA TYR A 104 6.827 -4.963 2.890 1.00 0.00 H new ATOM 0 HB2 TYR A 104 6.195 -2.755 0.891 1.00 0.00 H new ATOM 0 HB3 TYR A 104 5.167 -3.257 2.220 1.00 0.00 H new ATOM 0 HD1 TYR A 104 5.745 -2.673 4.543 1.00 0.00 H new ATOM 0 HD2 TYR A 104 8.230 -1.437 1.309 1.00 0.00 H new ATOM 0 HE1 TYR A 104 6.875 -1.072 6.023 1.00 0.00 H new ATOM 0 HE2 TYR A 104 9.363 0.162 2.788 1.00 0.00 H new ATOM 0 HH TYR A 104 9.511 1.016 4.820 1.00 0.00 H new ATOM 1669 N LEU A 105 6.793 -6.420 0.357 1.00 0.00 N ATOM 1670 CA LEU A 105 6.176 -7.371 -0.561 1.00 0.00 C ATOM 1671 C LEU A 105 5.459 -8.479 0.203 1.00 0.00 C ATOM 1672 O LEU A 105 6.053 -9.147 1.050 1.00 0.00 O ATOM 1673 CB LEU A 105 7.234 -7.975 -1.487 1.00 0.00 C ATOM 1674 CG LEU A 105 7.507 -7.211 -2.783 1.00 0.00 C ATOM 1675 CD1 LEU A 105 8.748 -7.757 -3.473 1.00 0.00 C ATOM 1676 CD2 LEU A 105 6.302 -7.287 -3.710 1.00 0.00 C ATOM 0 H LEU A 105 7.794 -6.557 0.496 1.00 0.00 H new ATOM 0 HA LEU A 105 5.440 -6.835 -1.161 1.00 0.00 H new ATOM 0 HB2 LEU A 105 8.169 -8.056 -0.933 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.927 -8.989 -1.744 1.00 0.00 H new ATOM 0 HG LEU A 105 7.685 -6.164 -2.535 1.00 0.00 H new ATOM 0 HD11 LEU A 105 8.927 -7.201 -4.393 1.00 0.00 H new ATOM 0 HD12 LEU A 105 9.608 -7.651 -2.812 1.00 0.00 H new ATOM 0 HD13 LEU A 105 8.599 -8.811 -3.709 1.00 0.00 H new ATOM 0 HD21 LEU A 105 6.514 -6.738 -4.628 1.00 0.00 H new ATOM 0 HD22 LEU A 105 6.093 -8.329 -3.951 1.00 0.00 H new ATOM 0 HD23 LEU A 105 5.435 -6.848 -3.216 1.00 0.00 H new ATOM 1688 N MET A 106 4.181 -8.671 -0.104 1.00 0.00 N ATOM 1689 CA MET A 106 3.384 -9.701 0.552 1.00 0.00 C ATOM 1690 C MET A 106 3.241 -10.929 -0.341 1.00 0.00 C ATOM 1691 O MET A 106 3.233 -12.062 0.141 1.00 0.00 O ATOM 1692 CB MET A 106 2.001 -9.155 0.912 1.00 0.00 C ATOM 1693 CG MET A 106 1.957 -8.454 2.260 1.00 0.00 C ATOM 1694 SD MET A 106 0.439 -7.511 2.503 1.00 0.00 S ATOM 1695 CE MET A 106 -0.417 -8.548 3.686 1.00 0.00 C ATOM 0 H MET A 106 3.675 -8.127 -0.803 1.00 0.00 H new ATOM 0 HA MET A 106 3.899 -9.996 1.466 1.00 0.00 H new ATOM 0 HB2 MET A 106 1.682 -8.457 0.138 1.00 0.00 H new ATOM 0 HB3 MET A 106 1.285 -9.976 0.915 1.00 0.00 H new ATOM 0 HG2 MET A 106 2.051 -9.195 3.054 1.00 0.00 H new ATOM 0 HG3 MET A 106 2.813 -7.785 2.346 1.00 0.00 H new ATOM 0 HE1 MET A 106 -1.369 -8.089 3.950 1.00 0.00 H new ATOM 0 HE2 MET A 106 -0.597 -9.529 3.247 1.00 0.00 H new ATOM 0 HE3 MET A 106 0.194 -8.658 4.582 1.00 0.00 H new ATOM 1705 N ALA A 107 3.130 -10.697 -1.645 1.00 0.00 N ATOM 1706 CA ALA A 107 2.990 -11.785 -2.606 1.00 0.00 C ATOM 1707 C ALA A 107 4.199 -11.858 -3.532 1.00 0.00 C ATOM 1708 O ALA A 107 5.129 -11.061 -3.419 1.00 0.00 O ATOM 1709 CB ALA A 107 1.712 -11.613 -3.415 1.00 0.00 C ATOM 0 H ALA A 107 3.134 -9.765 -2.060 1.00 0.00 H new ATOM 0 HA ALA A 107 2.933 -12.722 -2.052 1.00 0.00 H new ATOM 0 HB1 ALA A 107 1.620 -12.432 -4.128 1.00 0.00 H new ATOM 0 HB2 ALA A 107 0.853 -11.618 -2.744 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.747 -10.666 -3.953 1.00 0.00 H new ATOM 1715 N GLY A 108 4.179 -12.822 -4.448 1.00 0.00 N ATOM 1716 CA GLY A 108 5.280 -12.983 -5.380 1.00 0.00 C ATOM 1717 C GLY A 108 6.527 -13.532 -4.715 1.00 0.00 C ATOM 1718 O GLY A 108 6.812 -13.248 -3.551 1.00 0.00 O ATOM 0 H GLY A 108 3.420 -13.494 -4.561 1.00 0.00 H new ATOM 0 HA2 GLY A 108 4.976 -13.653 -6.184 1.00 0.00 H new ATOM 0 HA3 GLY A 108 5.509 -12.020 -5.837 1.00 0.00 H new ATOM 1722 N PRO A 109 7.293 -14.340 -5.462 1.00 0.00 N ATOM 1723 CA PRO A 109 8.528 -14.948 -4.958 1.00 0.00 C ATOM 1724 C PRO A 109 9.638 -13.922 -4.754 1.00 0.00 C ATOM 1725 O PRO A 109 10.715 -14.249 -4.256 1.00 0.00 O ATOM 1726 CB PRO A 109 8.912 -15.938 -6.061 1.00 0.00 C ATOM 1727 CG PRO A 109 8.288 -15.388 -7.297 1.00 0.00 C ATOM 1728 CD PRO A 109 7.014 -14.722 -6.857 1.00 0.00 C ATOM 0 HA PRO A 109 8.385 -15.411 -3.981 1.00 0.00 H new ATOM 0 HB2 PRO A 109 9.994 -16.015 -6.165 1.00 0.00 H new ATOM 0 HB3 PRO A 109 8.541 -16.939 -5.842 1.00 0.00 H new ATOM 0 HG2 PRO A 109 8.952 -14.675 -7.785 1.00 0.00 H new ATOM 0 HG3 PRO A 109 8.085 -16.180 -8.018 1.00 0.00 H new ATOM 0 HD2 PRO A 109 6.781 -13.853 -7.473 1.00 0.00 H new ATOM 0 HD3 PRO A 109 6.162 -15.399 -6.926 1.00 0.00 H new ATOM 1736 N GLY A 110 9.368 -12.679 -5.141 1.00 0.00 N ATOM 1737 CA GLY A 110 10.354 -11.625 -4.991 1.00 0.00 C ATOM 1738 C GLY A 110 10.760 -11.018 -6.320 1.00 0.00 C ATOM 1739 O GLY A 110 9.954 -10.941 -7.247 1.00 0.00 O ATOM 0 H GLY A 110 8.484 -12.383 -5.556 1.00 0.00 H new ATOM 0 HA2 GLY A 110 9.951 -10.844 -4.346 1.00 0.00 H new ATOM 0 HA3 GLY A 110 11.237 -12.026 -4.493 1.00 0.00 H new ATOM 1743 N SER A 111 12.013 -10.585 -6.412 1.00 0.00 N ATOM 1744 CA SER A 111 12.524 -9.977 -7.635 1.00 0.00 C ATOM 1745 C SER A 111 12.987 -11.045 -8.621 1.00 0.00 C ATOM 1746 O SER A 111 14.173 -11.367 -8.693 1.00 0.00 O ATOM 1747 CB SER A 111 13.680 -9.028 -7.314 1.00 0.00 C ATOM 1748 OG SER A 111 13.199 -7.779 -6.847 1.00 0.00 O ATOM 0 H SER A 111 12.693 -10.644 -5.654 1.00 0.00 H new ATOM 0 HA SER A 111 11.714 -9.410 -8.094 1.00 0.00 H new ATOM 0 HB2 SER A 111 14.325 -9.478 -6.560 1.00 0.00 H new ATOM 0 HB3 SER A 111 14.289 -8.877 -8.205 1.00 0.00 H new ATOM 0 HG SER A 111 13.957 -7.191 -6.647 1.00 0.00 H new ATOM 1754 N SER A 112 12.042 -11.592 -9.379 1.00 0.00 N ATOM 1755 CA SER A 112 12.351 -12.627 -10.358 1.00 0.00 C ATOM 1756 C SER A 112 12.869 -12.012 -11.654 1.00 0.00 C ATOM 1757 O SER A 112 12.470 -12.413 -12.748 1.00 0.00 O ATOM 1758 CB SER A 112 11.110 -13.476 -10.643 1.00 0.00 C ATOM 1759 OG SER A 112 10.114 -12.717 -11.306 1.00 0.00 O ATOM 0 H SER A 112 11.056 -11.335 -9.334 1.00 0.00 H new ATOM 0 HA SER A 112 13.131 -13.265 -9.942 1.00 0.00 H new ATOM 0 HB2 SER A 112 11.386 -14.334 -11.256 1.00 0.00 H new ATOM 0 HB3 SER A 112 10.711 -13.867 -9.707 1.00 0.00 H new ATOM 0 HG SER A 112 9.332 -13.282 -11.478 1.00 0.00 H new ATOM 1765 N SER A 113 13.759 -11.034 -11.523 1.00 0.00 N ATOM 1766 CA SER A 113 14.330 -10.359 -12.683 1.00 0.00 C ATOM 1767 C SER A 113 13.233 -9.755 -13.554 1.00 0.00 C ATOM 1768 O SER A 113 13.267 -9.866 -14.779 1.00 0.00 O ATOM 1769 CB SER A 113 15.170 -11.337 -13.507 1.00 0.00 C ATOM 1770 OG SER A 113 16.209 -11.901 -12.725 1.00 0.00 O ATOM 0 H SER A 113 14.101 -10.691 -10.625 1.00 0.00 H new ATOM 0 HA SER A 113 14.971 -9.553 -12.324 1.00 0.00 H new ATOM 0 HB2 SER A 113 14.532 -12.130 -13.897 1.00 0.00 H new ATOM 0 HB3 SER A 113 15.597 -10.820 -14.366 1.00 0.00 H new ATOM 0 HG SER A 113 16.730 -12.524 -13.274 1.00 0.00 H new ATOM 1776 N GLU A 114 12.260 -9.116 -12.911 1.00 0.00 N ATOM 1777 CA GLU A 114 11.152 -8.495 -13.627 1.00 0.00 C ATOM 1778 C GLU A 114 11.506 -7.072 -14.049 1.00 0.00 C ATOM 1779 O GLU A 114 10.627 -6.230 -14.227 1.00 0.00 O ATOM 1780 CB GLU A 114 9.895 -8.482 -12.755 1.00 0.00 C ATOM 1781 CG GLU A 114 9.937 -7.447 -11.643 1.00 0.00 C ATOM 1782 CD GLU A 114 10.521 -7.996 -10.356 1.00 0.00 C ATOM 1783 OE1 GLU A 114 11.763 -8.001 -10.223 1.00 0.00 O ATOM 1784 OE2 GLU A 114 9.737 -8.422 -9.482 1.00 0.00 O ATOM 0 H GLU A 114 12.217 -9.015 -11.897 1.00 0.00 H new ATOM 0 HA GLU A 114 10.957 -9.084 -14.523 1.00 0.00 H new ATOM 0 HB2 GLU A 114 9.027 -8.290 -13.386 1.00 0.00 H new ATOM 0 HB3 GLU A 114 9.757 -9.470 -12.316 1.00 0.00 H new ATOM 0 HG2 GLU A 114 10.528 -6.592 -11.970 1.00 0.00 H new ATOM 0 HG3 GLU A 114 8.928 -7.082 -11.453 1.00 0.00 H new ATOM 1791 N GLU A 115 12.800 -6.812 -14.207 1.00 0.00 N ATOM 1792 CA GLU A 115 13.271 -5.491 -14.607 1.00 0.00 C ATOM 1793 C GLU A 115 13.852 -5.524 -16.017 1.00 0.00 C ATOM 1794 O GLU A 115 14.162 -6.591 -16.547 1.00 0.00 O ATOM 1795 CB GLU A 115 14.324 -4.981 -13.621 1.00 0.00 C ATOM 1796 CG GLU A 115 13.767 -4.667 -12.243 1.00 0.00 C ATOM 1797 CD GLU A 115 13.097 -3.308 -12.181 1.00 0.00 C ATOM 1798 OE1 GLU A 115 13.554 -2.388 -12.891 1.00 0.00 O ATOM 1799 OE2 GLU A 115 12.116 -3.164 -11.421 1.00 0.00 O ATOM 0 H GLU A 115 13.541 -7.498 -14.064 1.00 0.00 H new ATOM 0 HA GLU A 115 12.418 -4.812 -14.601 1.00 0.00 H new ATOM 0 HB2 GLU A 115 15.111 -5.729 -13.524 1.00 0.00 H new ATOM 0 HB3 GLU A 115 14.787 -4.083 -14.030 1.00 0.00 H new ATOM 0 HG2 GLU A 115 13.047 -5.436 -11.962 1.00 0.00 H new ATOM 0 HG3 GLU A 115 14.574 -4.704 -11.512 1.00 0.00 H new ATOM 1806 N ASP A 116 13.994 -4.349 -16.619 1.00 0.00 N ATOM 1807 CA ASP A 116 14.538 -4.241 -17.968 1.00 0.00 C ATOM 1808 C ASP A 116 15.937 -3.633 -17.944 1.00 0.00 C ATOM 1809 O ASP A 116 16.352 -3.050 -16.943 1.00 0.00 O ATOM 1810 CB ASP A 116 13.616 -3.395 -18.847 1.00 0.00 C ATOM 1811 CG ASP A 116 14.096 -3.317 -20.283 1.00 0.00 C ATOM 1812 OD1 ASP A 116 13.728 -4.204 -21.082 1.00 0.00 O ATOM 1813 OD2 ASP A 116 14.839 -2.368 -20.608 1.00 0.00 O ATOM 0 H ASP A 116 13.740 -3.457 -16.194 1.00 0.00 H new ATOM 0 HA ASP A 116 14.605 -5.245 -18.387 1.00 0.00 H new ATOM 0 HB2 ASP A 116 12.611 -3.816 -18.825 1.00 0.00 H new ATOM 0 HB3 ASP A 116 13.549 -2.388 -18.434 1.00 0.00 H new ATOM 1818 N GLU A 117 16.658 -3.774 -19.052 1.00 0.00 N ATOM 1819 CA GLU A 117 18.010 -3.239 -19.155 1.00 0.00 C ATOM 1820 C GLU A 117 18.005 -1.718 -19.029 1.00 0.00 C ATOM 1821 O GLU A 117 18.762 -1.148 -18.244 1.00 0.00 O ATOM 1822 CB GLU A 117 18.644 -3.649 -20.486 1.00 0.00 C ATOM 1823 CG GLU A 117 20.149 -3.443 -20.533 1.00 0.00 C ATOM 1824 CD GLU A 117 20.534 -1.982 -20.659 1.00 0.00 C ATOM 1825 OE1 GLU A 117 19.771 -1.219 -21.287 1.00 0.00 O ATOM 1826 OE2 GLU A 117 21.600 -1.603 -20.130 1.00 0.00 O ATOM 0 H GLU A 117 16.329 -4.254 -19.890 1.00 0.00 H new ATOM 0 HA GLU A 117 18.600 -3.652 -18.337 1.00 0.00 H new ATOM 0 HB2 GLU A 117 18.424 -4.700 -20.675 1.00 0.00 H new ATOM 0 HB3 GLU A 117 18.182 -3.076 -21.290 1.00 0.00 H new ATOM 0 HG2 GLU A 117 20.597 -3.856 -19.629 1.00 0.00 H new ATOM 0 HG3 GLU A 117 20.562 -3.998 -21.376 1.00 0.00 H new ATOM 1833 N ALA A 118 17.147 -1.068 -19.808 1.00 0.00 N ATOM 1834 CA ALA A 118 17.042 0.385 -19.783 1.00 0.00 C ATOM 1835 C ALA A 118 15.829 0.834 -18.976 1.00 0.00 C ATOM 1836 O ALA A 118 15.965 1.524 -17.965 1.00 0.00 O ATOM 1837 CB ALA A 118 16.967 0.934 -21.201 1.00 0.00 C ATOM 0 H ALA A 118 16.514 -1.525 -20.465 1.00 0.00 H new ATOM 0 HA ALA A 118 17.935 0.780 -19.299 1.00 0.00 H new ATOM 0 HB1 ALA A 118 16.889 2.021 -21.167 1.00 0.00 H new ATOM 0 HB2 ALA A 118 17.866 0.652 -21.748 1.00 0.00 H new ATOM 0 HB3 ALA A 118 16.092 0.523 -21.704 1.00 0.00 H new ATOM 1843 N SER A 119 14.643 0.439 -19.428 1.00 0.00 N ATOM 1844 CA SER A 119 13.405 0.805 -18.750 1.00 0.00 C ATOM 1845 C SER A 119 12.324 -0.244 -18.990 1.00 0.00 C ATOM 1846 O SER A 119 12.310 -0.863 -20.053 1.00 0.00 O ATOM 1847 CB SER A 119 12.921 2.174 -19.231 1.00 0.00 C ATOM 1848 OG SER A 119 11.880 2.666 -18.405 1.00 0.00 O ATOM 0 H SER A 119 14.513 -0.135 -20.261 1.00 0.00 H new ATOM 0 HA SER A 119 13.606 0.855 -17.680 1.00 0.00 H new ATOM 0 HB2 SER A 119 13.753 2.878 -19.231 1.00 0.00 H new ATOM 0 HB3 SER A 119 12.568 2.098 -20.259 1.00 0.00 H new ATOM 0 HG SER A 119 11.589 3.543 -18.732 1.00 0.00 H new ATOM 1854 N HIS A 120 11.451 -0.417 -18.009 1.00 0.00 N ATOM 1855 CA HIS A 120 10.377 -1.389 -18.126 1.00 0.00 C ATOM 1856 C HIS A 120 9.104 -0.691 -18.610 1.00 0.00 C ATOM 1857 O HIS A 120 8.458 -1.107 -19.572 1.00 0.00 O ATOM 1858 CB HIS A 120 10.177 -2.139 -16.807 1.00 0.00 C ATOM 1859 CG HIS A 120 9.098 -3.194 -16.859 1.00 0.00 C ATOM 1860 ND1 HIS A 120 9.375 -4.549 -16.899 1.00 0.00 N ATOM 1861 CD2 HIS A 120 7.739 -3.079 -16.875 1.00 0.00 C ATOM 1862 CE1 HIS A 120 8.228 -5.210 -16.938 1.00 0.00 C ATOM 1863 NE2 HIS A 120 7.215 -4.297 -16.924 1.00 0.00 N ATOM 0 H HIS A 120 11.465 0.099 -17.129 1.00 0.00 H new ATOM 0 HA HIS A 120 10.642 -2.142 -18.868 1.00 0.00 H new ATOM 0 HB2 HIS A 120 11.118 -2.610 -16.522 1.00 0.00 H new ATOM 0 HB3 HIS A 120 9.931 -1.420 -16.026 1.00 0.00 H new ATOM 0 HD2 HIS A 120 7.183 -2.153 -16.852 1.00 0.00 H new ATOM 0 HE1 HIS A 120 8.115 -6.283 -16.974 1.00 0.00 H new ATOM 0 HE2 HIS A 120 6.219 -4.515 -16.947 1.00 0.00 H new ATOM 1871 N SER A 121 8.756 0.387 -17.916 1.00 0.00 N ATOM 1872 CA SER A 121 7.566 1.160 -18.250 1.00 0.00 C ATOM 1873 C SER A 121 7.612 1.629 -19.701 1.00 0.00 C ATOM 1874 O SER A 121 6.667 1.423 -20.462 1.00 0.00 O ATOM 1875 CB SER A 121 7.436 2.366 -17.317 1.00 0.00 C ATOM 1876 OG SER A 121 6.104 2.848 -17.290 1.00 0.00 O ATOM 0 H SER A 121 9.281 0.745 -17.118 1.00 0.00 H new ATOM 0 HA SER A 121 6.697 0.515 -18.122 1.00 0.00 H new ATOM 0 HB2 SER A 121 7.745 2.086 -16.310 1.00 0.00 H new ATOM 0 HB3 SER A 121 8.107 3.159 -17.647 1.00 0.00 H new ATOM 0 HG SER A 121 6.047 3.617 -16.686 1.00 0.00 H new ATOM 1882 N GLY A 122 8.720 2.260 -20.078 1.00 0.00 N ATOM 1883 CA GLY A 122 8.870 2.749 -21.436 1.00 0.00 C ATOM 1884 C GLY A 122 9.081 4.249 -21.492 1.00 0.00 C ATOM 1885 O GLY A 122 10.004 4.777 -20.874 1.00 0.00 O ATOM 0 H GLY A 122 9.516 2.441 -19.467 1.00 0.00 H new ATOM 0 HA2 GLY A 122 9.716 2.248 -21.908 1.00 0.00 H new ATOM 0 HA3 GLY A 122 7.983 2.488 -22.013 1.00 0.00 H new ATOM 1889 N GLY A 123 8.223 4.938 -22.239 1.00 0.00 N ATOM 1890 CA GLY A 123 8.338 6.379 -22.362 1.00 0.00 C ATOM 1891 C GLY A 123 7.294 6.967 -23.290 1.00 0.00 C ATOM 1892 O GLY A 123 7.438 6.916 -24.511 1.00 0.00 O ATOM 0 H GLY A 123 7.451 4.524 -22.761 1.00 0.00 H new ATOM 0 HA2 GLY A 123 8.241 6.834 -21.376 1.00 0.00 H new ATOM 0 HA3 GLY A 123 9.332 6.631 -22.732 1.00 0.00 H new ATOM 1896 N SER A 124 6.237 7.526 -22.709 1.00 0.00 N ATOM 1897 CA SER A 124 5.160 8.122 -23.492 1.00 0.00 C ATOM 1898 C SER A 124 5.203 9.644 -23.404 1.00 0.00 C ATOM 1899 O SER A 124 5.292 10.213 -22.317 1.00 0.00 O ATOM 1900 CB SER A 124 3.803 7.609 -23.005 1.00 0.00 C ATOM 1901 OG SER A 124 3.391 8.291 -21.834 1.00 0.00 O ATOM 0 H SER A 124 6.103 7.579 -21.699 1.00 0.00 H new ATOM 0 HA SER A 124 5.297 7.832 -24.534 1.00 0.00 H new ATOM 0 HB2 SER A 124 3.057 7.743 -23.789 1.00 0.00 H new ATOM 0 HB3 SER A 124 3.866 6.540 -22.804 1.00 0.00 H new ATOM 0 HG SER A 124 2.521 7.946 -21.544 1.00 0.00 H new ATOM 1907 N GLY A 125 5.138 10.300 -24.560 1.00 0.00 N ATOM 1908 CA GLY A 125 5.171 11.750 -24.593 1.00 0.00 C ATOM 1909 C GLY A 125 3.785 12.359 -24.674 1.00 0.00 C ATOM 1910 O GLY A 125 2.776 11.656 -24.716 1.00 0.00 O ATOM 0 H GLY A 125 5.063 9.852 -25.473 1.00 0.00 H new ATOM 0 HA2 GLY A 125 5.675 12.119 -23.700 1.00 0.00 H new ATOM 0 HA3 GLY A 125 5.759 12.078 -25.450 1.00 0.00 H new ATOM 1914 N PRO A 126 3.724 13.699 -24.695 1.00 0.00 N ATOM 1915 CA PRO A 126 2.457 14.433 -24.771 1.00 0.00 C ATOM 1916 C PRO A 126 1.780 14.282 -26.129 1.00 0.00 C ATOM 1917 O PRO A 126 1.992 15.091 -27.032 1.00 0.00 O ATOM 1918 CB PRO A 126 2.875 15.887 -24.540 1.00 0.00 C ATOM 1919 CG PRO A 126 4.298 15.946 -24.975 1.00 0.00 C ATOM 1920 CD PRO A 126 4.887 14.601 -24.649 1.00 0.00 C ATOM 0 HA PRO A 126 1.729 14.065 -24.048 1.00 0.00 H new ATOM 0 HB2 PRO A 126 2.256 16.573 -25.118 1.00 0.00 H new ATOM 0 HB3 PRO A 126 2.770 16.167 -23.492 1.00 0.00 H new ATOM 0 HG2 PRO A 126 4.371 16.156 -26.042 1.00 0.00 H new ATOM 0 HG3 PRO A 126 4.832 16.742 -24.456 1.00 0.00 H new ATOM 0 HD2 PRO A 126 5.650 14.311 -25.372 1.00 0.00 H new ATOM 0 HD3 PRO A 126 5.360 14.597 -23.667 1.00 0.00 H new ATOM 1928 N SER A 127 0.964 13.242 -26.266 1.00 0.00 N ATOM 1929 CA SER A 127 0.258 12.983 -27.516 1.00 0.00 C ATOM 1930 C SER A 127 -1.214 13.366 -27.397 1.00 0.00 C ATOM 1931 O SER A 127 -1.852 13.112 -26.375 1.00 0.00 O ATOM 1932 CB SER A 127 0.384 11.508 -27.902 1.00 0.00 C ATOM 1933 OG SER A 127 -0.079 10.667 -26.860 1.00 0.00 O ATOM 0 H SER A 127 0.775 12.565 -25.527 1.00 0.00 H new ATOM 0 HA SER A 127 0.713 13.594 -28.295 1.00 0.00 H new ATOM 0 HB2 SER A 127 -0.188 11.316 -28.810 1.00 0.00 H new ATOM 0 HB3 SER A 127 1.425 11.275 -28.126 1.00 0.00 H new ATOM 0 HG SER A 127 0.010 9.730 -27.132 1.00 0.00 H new ATOM 1939 N SER A 128 -1.747 13.978 -28.449 1.00 0.00 N ATOM 1940 CA SER A 128 -3.143 14.399 -28.463 1.00 0.00 C ATOM 1941 C SER A 128 -4.053 13.251 -28.888 1.00 0.00 C ATOM 1942 O SER A 128 -3.643 12.363 -29.634 1.00 0.00 O ATOM 1943 CB SER A 128 -3.329 15.589 -29.407 1.00 0.00 C ATOM 1944 OG SER A 128 -4.625 16.146 -29.276 1.00 0.00 O ATOM 0 H SER A 128 -1.233 14.194 -29.303 1.00 0.00 H new ATOM 0 HA SER A 128 -3.416 14.700 -27.452 1.00 0.00 H new ATOM 0 HB2 SER A 128 -2.579 16.350 -29.190 1.00 0.00 H new ATOM 0 HB3 SER A 128 -3.170 15.269 -30.437 1.00 0.00 H new ATOM 0 HG SER A 128 -4.718 16.906 -29.888 1.00 0.00 H new ATOM 1950 N GLY A 129 -5.292 13.277 -28.407 1.00 0.00 N ATOM 1951 CA GLY A 129 -6.242 12.234 -28.747 1.00 0.00 C ATOM 1952 C GLY A 129 -7.412 12.179 -27.785 1.00 0.00 C ATOM 1953 O GLY A 129 -7.249 12.401 -26.586 1.00 0.00 O ATOM 0 H GLY A 129 -5.655 14.002 -27.788 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -6.614 12.401 -29.758 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -5.733 11.270 -28.750 1.00 0.00 H new TER 1957 GLY A 129