USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 721 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 25 GLN :FLIP amide:sc= -7.48! C(o=-14!,f=-11!) USER MOD Set 1.2: A 27 ASN : amide:sc= -3.64! C(o=-11!,f=-16!) USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 23 CYS SG : rot 180:sc= -1.43 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00638 USER MOD Single : A 3 SER OG : rot 8:sc= 0.125 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 130:sc= -1.23 USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 11 CYS SG : rot 120:sc= -1.55 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 45:sc= -0.0312 USER MOD Single : A 20 SER OG : rot -13:sc= 0.914 USER MOD Single : A 33 SER OG : rot 170:sc= -0.168 USER MOD Single : A 34 ASN :FLIP amide:sc= -0.63 F(o=-1.5,f=-0.63) USER MOD Single : A 36 THR OG1 : rot -90:sc= -0.213 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0344 USER MOD Single : A 41 TYR OH : rot 66:sc= -2.93! USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 166:sc= -2.43 (180deg=-3.02!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 CYS SG : rot 103:sc= -1.03 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 8:sc= 0.998 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 63:sc= 0.71 USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.0319 USER MOD Single : A 74 TYR OH : rot 30:sc= 0.126 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot -1:sc= -0.179 USER MOD Single : A 79 GLN :FLIP amide:sc= -3.62! C(o=-4.4!,f=-3.6!) USER MOD Single : A 82 SER OG : rot -65:sc= 1.09 USER MOD Single : A 90 SER OG : rot 110:sc=0.000696 USER MOD Single : A 95 CYS SG : rot 180:sc= -0.013 USER MOD Single : A 97 THR OG1 : rot 172:sc= 1.1 USER MOD Single : A 100 SER OG : rot -63:sc= 0.833 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0.0273 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.368 -19.573 8.678 1.00 0.00 N ATOM 2 CA GLY A 1 -17.450 -19.941 9.740 1.00 0.00 C ATOM 3 C GLY A 1 -17.580 -21.398 10.138 1.00 0.00 C ATOM 4 O GLY A 1 -16.722 -22.218 9.809 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.241 -18.568 8.442 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.176 -20.154 7.837 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.346 -19.733 8.994 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.428 -19.745 9.417 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.635 -19.312 10.611 1.00 0.00 H new ATOM 8 N SER A 2 -18.655 -21.722 10.850 1.00 0.00 N ATOM 9 CA SER A 2 -18.891 -23.089 11.300 1.00 0.00 C ATOM 10 C SER A 2 -18.700 -24.078 10.153 1.00 0.00 C ATOM 11 O SER A 2 -18.069 -25.122 10.318 1.00 0.00 O ATOM 12 CB SER A 2 -20.302 -23.223 11.874 1.00 0.00 C ATOM 13 OG SER A 2 -21.280 -22.870 10.912 1.00 0.00 O ATOM 0 H SER A 2 -19.376 -21.056 11.128 1.00 0.00 H new ATOM 0 HA SER A 2 -18.166 -23.319 12.081 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.467 -24.248 12.206 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.403 -22.584 12.751 1.00 0.00 H new ATOM 0 HG SER A 2 -22.173 -22.966 11.303 1.00 0.00 H new ATOM 19 N SER A 3 -19.251 -23.740 8.992 1.00 0.00 N ATOM 20 CA SER A 3 -19.145 -24.599 7.818 1.00 0.00 C ATOM 21 C SER A 3 -19.044 -23.766 6.543 1.00 0.00 C ATOM 22 O SER A 3 -20.020 -23.161 6.105 1.00 0.00 O ATOM 23 CB SER A 3 -20.352 -25.534 7.735 1.00 0.00 C ATOM 24 OG SER A 3 -20.246 -26.590 8.675 1.00 0.00 O ATOM 0 H SER A 3 -19.775 -22.878 8.839 1.00 0.00 H new ATOM 0 HA SER A 3 -18.238 -25.195 7.915 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.266 -24.970 7.919 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.429 -25.945 6.729 1.00 0.00 H new ATOM 0 HG SER A 3 -19.479 -26.428 9.264 1.00 0.00 H new ATOM 30 N GLY A 4 -17.852 -23.743 5.952 1.00 0.00 N ATOM 31 CA GLY A 4 -17.644 -22.983 4.735 1.00 0.00 C ATOM 32 C GLY A 4 -16.738 -21.785 4.946 1.00 0.00 C ATOM 33 O GLY A 4 -17.042 -20.904 5.749 1.00 0.00 O ATOM 0 H GLY A 4 -17.028 -24.237 6.295 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.211 -23.633 3.974 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.607 -22.644 4.353 1.00 0.00 H new ATOM 37 N SER A 5 -15.623 -21.755 4.224 1.00 0.00 N ATOM 38 CA SER A 5 -14.666 -20.660 4.341 1.00 0.00 C ATOM 39 C SER A 5 -15.181 -19.412 3.630 1.00 0.00 C ATOM 40 O SER A 5 -15.859 -19.502 2.606 1.00 0.00 O ATOM 41 CB SER A 5 -13.313 -21.072 3.758 1.00 0.00 C ATOM 42 OG SER A 5 -12.927 -22.354 4.221 1.00 0.00 O ATOM 0 H SER A 5 -15.360 -22.476 3.552 1.00 0.00 H new ATOM 0 HA SER A 5 -14.542 -20.430 5.399 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.369 -21.077 2.669 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.556 -20.339 4.035 1.00 0.00 H new ATOM 0 HG SER A 5 -12.060 -22.595 3.833 1.00 0.00 H new ATOM 48 N SER A 6 -14.854 -18.247 4.181 1.00 0.00 N ATOM 49 CA SER A 6 -15.285 -16.980 3.602 1.00 0.00 C ATOM 50 C SER A 6 -14.158 -15.953 3.641 1.00 0.00 C ATOM 51 O SER A 6 -13.376 -15.908 4.591 1.00 0.00 O ATOM 52 CB SER A 6 -16.506 -16.442 4.351 1.00 0.00 C ATOM 53 OG SER A 6 -17.325 -15.663 3.498 1.00 0.00 O ATOM 0 H SER A 6 -14.292 -18.155 5.027 1.00 0.00 H new ATOM 0 HA SER A 6 -15.555 -17.158 2.561 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.084 -17.273 4.755 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.180 -15.838 5.198 1.00 0.00 H new ATOM 0 HG SER A 6 -18.254 -15.966 3.571 1.00 0.00 H new ATOM 59 N GLY A 7 -14.079 -15.129 2.601 1.00 0.00 N ATOM 60 CA GLY A 7 -13.045 -14.113 2.535 1.00 0.00 C ATOM 61 C GLY A 7 -11.920 -14.492 1.593 1.00 0.00 C ATOM 62 O GLY A 7 -11.572 -15.664 1.446 1.00 0.00 O ATOM 0 H GLY A 7 -14.713 -15.147 1.802 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.486 -13.171 2.209 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.639 -13.947 3.533 1.00 0.00 H new ATOM 66 N PRO A 8 -11.331 -13.484 0.932 1.00 0.00 N ATOM 67 CA PRO A 8 -10.230 -13.692 -0.014 1.00 0.00 C ATOM 68 C PRO A 8 -8.942 -14.120 0.681 1.00 0.00 C ATOM 69 O PRO A 8 -8.860 -14.123 1.910 1.00 0.00 O ATOM 70 CB PRO A 8 -10.057 -12.318 -0.665 1.00 0.00 C ATOM 71 CG PRO A 8 -10.577 -11.353 0.344 1.00 0.00 C ATOM 72 CD PRO A 8 -11.693 -12.063 1.059 1.00 0.00 C ATOM 0 HA PRO A 8 -10.448 -14.490 -0.724 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.011 -12.120 -0.900 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.612 -12.250 -1.601 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.793 -11.057 1.041 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -10.937 -10.443 -0.136 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.760 -11.757 2.103 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -12.660 -11.853 0.603 1.00 0.00 H new ATOM 80 N ASP A 9 -7.940 -14.480 -0.112 1.00 0.00 N ATOM 81 CA ASP A 9 -6.654 -14.908 0.426 1.00 0.00 C ATOM 82 C ASP A 9 -5.765 -13.706 0.730 1.00 0.00 C ATOM 83 O ASP A 9 -5.994 -12.609 0.221 1.00 0.00 O ATOM 84 CB ASP A 9 -5.950 -15.843 -0.558 1.00 0.00 C ATOM 85 CG ASP A 9 -6.383 -17.287 -0.396 1.00 0.00 C ATOM 86 OD1 ASP A 9 -6.400 -17.776 0.753 1.00 0.00 O ATOM 87 OD2 ASP A 9 -6.707 -17.926 -1.418 1.00 0.00 O ATOM 0 H ASP A 9 -7.993 -14.484 -1.131 1.00 0.00 H new ATOM 0 HA ASP A 9 -6.838 -15.445 1.356 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.158 -15.517 -1.577 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -4.872 -15.772 -0.414 1.00 0.00 H new ATOM 92 N GLN A 10 -4.752 -13.921 1.563 1.00 0.00 N ATOM 93 CA GLN A 10 -3.829 -12.855 1.935 1.00 0.00 C ATOM 94 C GLN A 10 -3.438 -12.024 0.718 1.00 0.00 C ATOM 95 O GLN A 10 -3.374 -12.535 -0.401 1.00 0.00 O ATOM 96 CB GLN A 10 -2.578 -13.439 2.591 1.00 0.00 C ATOM 97 CG GLN A 10 -1.670 -12.390 3.212 1.00 0.00 C ATOM 98 CD GLN A 10 -0.255 -12.894 3.421 1.00 0.00 C ATOM 99 OE1 GLN A 10 0.001 -14.098 3.376 1.00 0.00 O ATOM 100 NE2 GLN A 10 0.674 -11.973 3.650 1.00 0.00 N ATOM 0 H GLN A 10 -4.550 -14.823 1.993 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.335 -12.205 2.649 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -2.880 -14.148 3.362 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.015 -13.999 1.845 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -1.647 -11.509 2.571 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.085 -12.076 4.170 1.00 0.00 H new ATOM 0 HE21 GLN A 10 0.418 -10.986 3.679 1.00 0.00 H new ATOM 0 HE22 GLN A 10 1.644 -12.252 3.797 1.00 0.00 H new ATOM 109 N CYS A 11 -3.179 -10.740 0.942 1.00 0.00 N ATOM 110 CA CYS A 11 -2.795 -9.837 -0.137 1.00 0.00 C ATOM 111 C CYS A 11 -1.283 -9.644 -0.172 1.00 0.00 C ATOM 112 O CYS A 11 -0.655 -9.391 0.856 1.00 0.00 O ATOM 113 CB CYS A 11 -3.491 -8.486 0.029 1.00 0.00 C ATOM 114 SG CYS A 11 -5.267 -8.523 -0.312 1.00 0.00 S ATOM 0 H CYS A 11 -3.228 -10.301 1.861 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.107 -10.284 -1.081 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -3.335 -8.132 1.048 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.019 -7.762 -0.636 1.00 0.00 H new ATOM 0 HG CYS A 11 -5.921 -8.159 0.751 1.00 0.00 H new ATOM 120 N LYS A 12 -0.704 -9.766 -1.361 1.00 0.00 N ATOM 121 CA LYS A 12 0.736 -9.605 -1.532 1.00 0.00 C ATOM 122 C LYS A 12 1.139 -8.140 -1.397 1.00 0.00 C ATOM 123 O LYS A 12 0.353 -7.228 -1.657 1.00 0.00 O ATOM 124 CB LYS A 12 1.171 -10.141 -2.897 1.00 0.00 C ATOM 125 CG LYS A 12 1.185 -11.658 -2.978 1.00 0.00 C ATOM 126 CD LYS A 12 1.981 -12.146 -4.177 1.00 0.00 C ATOM 127 CE LYS A 12 1.194 -11.990 -5.470 1.00 0.00 C ATOM 128 NZ LYS A 12 1.932 -12.544 -6.638 1.00 0.00 N ATOM 0 H LYS A 12 -1.210 -9.976 -2.222 1.00 0.00 H new ATOM 0 HA LYS A 12 1.236 -10.175 -0.749 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.500 -9.751 -3.662 1.00 0.00 H new ATOM 0 HB3 LYS A 12 2.168 -9.764 -3.125 1.00 0.00 H new ATOM 0 HG2 LYS A 12 1.615 -12.068 -2.064 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.162 -12.029 -3.044 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.914 -11.587 -4.248 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.247 -13.193 -4.036 1.00 0.00 H new ATOM 0 HE2 LYS A 12 0.233 -12.496 -5.374 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.982 -10.935 -5.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 1.363 -12.419 -7.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 2.838 -12.044 -6.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 2.112 -13.557 -6.486 1.00 0.00 H new ATOM 142 N PRO A 13 2.393 -7.906 -0.984 1.00 0.00 N ATOM 143 CA PRO A 13 2.930 -6.553 -0.807 1.00 0.00 C ATOM 144 C PRO A 13 3.129 -5.831 -2.135 1.00 0.00 C ATOM 145 O PRO A 13 3.567 -6.415 -3.128 1.00 0.00 O ATOM 146 CB PRO A 13 4.277 -6.792 -0.121 1.00 0.00 C ATOM 147 CG PRO A 13 4.668 -8.171 -0.525 1.00 0.00 C ATOM 148 CD PRO A 13 3.385 -8.945 -0.656 1.00 0.00 C ATOM 0 HA PRO A 13 2.253 -5.917 -0.236 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.019 -6.060 -0.440 1.00 0.00 H new ATOM 0 HB3 PRO A 13 4.190 -6.706 0.962 1.00 0.00 H new ATOM 0 HG2 PRO A 13 5.215 -8.161 -1.468 1.00 0.00 H new ATOM 0 HG3 PRO A 13 5.323 -8.625 0.219 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.450 -9.701 -1.439 1.00 0.00 H new ATOM 0 HD3 PRO A 13 3.133 -9.464 0.268 1.00 0.00 H new ATOM 156 N PRO A 14 2.801 -4.531 -2.159 1.00 0.00 N ATOM 157 CA PRO A 14 2.936 -3.701 -3.360 1.00 0.00 C ATOM 158 C PRO A 14 4.394 -3.440 -3.722 1.00 0.00 C ATOM 159 O PRO A 14 5.305 -3.889 -3.027 1.00 0.00 O ATOM 160 CB PRO A 14 2.240 -2.395 -2.969 1.00 0.00 C ATOM 161 CG PRO A 14 2.338 -2.344 -1.483 1.00 0.00 C ATOM 162 CD PRO A 14 2.272 -3.770 -1.014 1.00 0.00 C ATOM 0 HA PRO A 14 2.506 -4.182 -4.239 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.727 -1.534 -3.428 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.201 -2.386 -3.298 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.270 -1.873 -1.169 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.525 -1.756 -1.058 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.871 -3.926 -0.117 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.251 -4.066 -0.772 1.00 0.00 H new ATOM 170 N GLN A 15 4.606 -2.712 -4.814 1.00 0.00 N ATOM 171 CA GLN A 15 5.955 -2.393 -5.268 1.00 0.00 C ATOM 172 C GLN A 15 6.222 -0.895 -5.167 1.00 0.00 C ATOM 173 O GLN A 15 5.570 -0.091 -5.833 1.00 0.00 O ATOM 174 CB GLN A 15 6.155 -2.863 -6.710 1.00 0.00 C ATOM 175 CG GLN A 15 7.542 -2.570 -7.258 1.00 0.00 C ATOM 176 CD GLN A 15 8.546 -3.652 -6.911 1.00 0.00 C ATOM 177 OE1 GLN A 15 8.571 -4.714 -7.534 1.00 0.00 O ATOM 178 NE2 GLN A 15 9.382 -3.387 -5.913 1.00 0.00 N ATOM 0 H GLN A 15 3.862 -2.332 -5.400 1.00 0.00 H new ATOM 0 HA GLN A 15 6.662 -2.914 -4.623 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.972 -3.936 -6.762 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.413 -2.382 -7.347 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.486 -2.465 -8.342 1.00 0.00 H new ATOM 0 HG3 GLN A 15 7.891 -1.616 -6.863 1.00 0.00 H new ATOM 0 HE21 GLN A 15 9.326 -2.494 -5.424 1.00 0.00 H new ATOM 0 HE22 GLN A 15 10.080 -4.077 -5.636 1.00 0.00 H new ATOM 187 N VAL A 16 7.185 -0.525 -4.329 1.00 0.00 N ATOM 188 CA VAL A 16 7.540 0.876 -4.141 1.00 0.00 C ATOM 189 C VAL A 16 8.662 1.291 -5.085 1.00 0.00 C ATOM 190 O VAL A 16 9.649 0.572 -5.248 1.00 0.00 O ATOM 191 CB VAL A 16 7.974 1.156 -2.691 1.00 0.00 C ATOM 192 CG1 VAL A 16 6.806 0.960 -1.736 1.00 0.00 C ATOM 193 CG2 VAL A 16 9.145 0.264 -2.304 1.00 0.00 C ATOM 0 H VAL A 16 7.734 -1.177 -3.769 1.00 0.00 H new ATOM 0 HA VAL A 16 6.647 1.460 -4.364 1.00 0.00 H new ATOM 0 HB VAL A 16 8.299 2.194 -2.621 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.132 1.162 -0.716 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.000 1.644 -2.002 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.448 -0.067 -1.805 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.439 0.475 -1.276 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.850 -0.782 -2.389 1.00 0.00 H new ATOM 0 HG23 VAL A 16 9.986 0.459 -2.969 1.00 0.00 H new ATOM 203 N THR A 17 8.507 2.456 -5.707 1.00 0.00 N ATOM 204 CA THR A 17 9.507 2.966 -6.636 1.00 0.00 C ATOM 205 C THR A 17 9.860 4.416 -6.321 1.00 0.00 C ATOM 206 O THR A 17 9.215 5.342 -6.813 1.00 0.00 O ATOM 207 CB THR A 17 9.019 2.873 -8.094 1.00 0.00 C ATOM 208 OG1 THR A 17 8.835 1.502 -8.462 1.00 0.00 O ATOM 209 CG2 THR A 17 10.014 3.527 -9.040 1.00 0.00 C ATOM 0 H THR A 17 7.697 3.064 -5.584 1.00 0.00 H new ATOM 0 HA THR A 17 10.395 2.345 -6.518 1.00 0.00 H new ATOM 0 HB THR A 17 8.068 3.400 -8.170 1.00 0.00 H new ATOM 0 HG1 THR A 17 8.523 1.451 -9.390 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.648 3.449 -10.064 1.00 0.00 H new ATOM 0 HG22 THR A 17 10.131 4.578 -8.775 1.00 0.00 H new ATOM 0 HG23 THR A 17 10.977 3.023 -8.960 1.00 0.00 H new ATOM 217 N CYS A 18 10.887 4.604 -5.501 1.00 0.00 N ATOM 218 CA CYS A 18 11.326 5.943 -5.121 1.00 0.00 C ATOM 219 C CYS A 18 11.504 6.827 -6.351 1.00 0.00 C ATOM 220 O CYS A 18 12.574 6.855 -6.958 1.00 0.00 O ATOM 221 CB CYS A 18 12.637 5.869 -4.338 1.00 0.00 C ATOM 222 SG CYS A 18 13.993 5.086 -5.241 1.00 0.00 S ATOM 0 H CYS A 18 11.431 3.848 -5.086 1.00 0.00 H new ATOM 0 HA CYS A 18 10.557 6.384 -4.487 1.00 0.00 H new ATOM 0 HB2 CYS A 18 12.937 6.878 -4.057 1.00 0.00 H new ATOM 0 HB3 CYS A 18 12.465 5.318 -3.413 1.00 0.00 H new ATOM 0 HG CYS A 18 14.027 5.546 -6.457 1.00 0.00 H new ATOM 228 N ARG A 19 10.446 7.546 -6.714 1.00 0.00 N ATOM 229 CA ARG A 19 10.484 8.428 -7.874 1.00 0.00 C ATOM 230 C ARG A 19 11.451 9.586 -7.645 1.00 0.00 C ATOM 231 O ARG A 19 12.076 10.082 -8.583 1.00 0.00 O ATOM 232 CB ARG A 19 9.086 8.970 -8.176 1.00 0.00 C ATOM 233 CG ARG A 19 8.185 7.970 -8.883 1.00 0.00 C ATOM 234 CD ARG A 19 8.600 7.773 -10.332 1.00 0.00 C ATOM 235 NE ARG A 19 8.012 8.781 -11.211 1.00 0.00 N ATOM 236 CZ ARG A 19 6.714 8.855 -11.479 1.00 0.00 C ATOM 237 NH1 ARG A 19 5.872 7.986 -10.939 1.00 0.00 N ATOM 238 NH2 ARG A 19 6.255 9.801 -12.289 1.00 0.00 N ATOM 0 H ARG A 19 9.553 7.535 -6.222 1.00 0.00 H new ATOM 0 HA ARG A 19 10.834 7.848 -8.728 1.00 0.00 H new ATOM 0 HB2 ARG A 19 8.614 9.275 -7.242 1.00 0.00 H new ATOM 0 HB3 ARG A 19 9.177 9.864 -8.793 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.220 7.014 -8.360 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.153 8.317 -8.843 1.00 0.00 H new ATOM 0 HD2 ARG A 19 9.687 7.816 -10.407 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.296 6.780 -10.664 1.00 0.00 H new ATOM 0 HE ARG A 19 8.633 9.466 -11.642 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.221 7.258 -10.316 1.00 0.00 H new ATOM 0 HH12 ARG A 19 4.875 8.045 -11.147 1.00 0.00 H new ATOM 0 HH21 ARG A 19 6.900 10.472 -12.706 1.00 0.00 H new ATOM 0 HH22 ARG A 19 5.257 9.857 -12.494 1.00 0.00 H new ATOM 252 N SER A 20 11.569 10.013 -6.391 1.00 0.00 N ATOM 253 CA SER A 20 12.457 11.115 -6.039 1.00 0.00 C ATOM 254 C SER A 20 12.656 11.191 -4.529 1.00 0.00 C ATOM 255 O SER A 20 12.040 10.440 -3.771 1.00 0.00 O ATOM 256 CB SER A 20 11.891 12.439 -6.557 1.00 0.00 C ATOM 257 OG SER A 20 11.817 12.442 -7.973 1.00 0.00 O ATOM 0 H SER A 20 11.061 9.612 -5.602 1.00 0.00 H new ATOM 0 HA SER A 20 13.424 10.933 -6.507 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.899 12.603 -6.137 1.00 0.00 H new ATOM 0 HB3 SER A 20 12.520 13.263 -6.221 1.00 0.00 H new ATOM 0 HG SER A 20 12.330 11.687 -8.329 1.00 0.00 H new ATOM 263 N ALA A 21 13.521 12.102 -4.097 1.00 0.00 N ATOM 264 CA ALA A 21 13.801 12.278 -2.678 1.00 0.00 C ATOM 265 C ALA A 21 12.512 12.462 -1.883 1.00 0.00 C ATOM 266 O ALA A 21 12.402 12.003 -0.746 1.00 0.00 O ATOM 267 CB ALA A 21 14.728 13.466 -2.466 1.00 0.00 C ATOM 0 H ALA A 21 14.040 12.730 -4.710 1.00 0.00 H new ATOM 0 HA ALA A 21 14.295 11.376 -2.316 1.00 0.00 H new ATOM 0 HB1 ALA A 21 14.929 13.586 -1.401 1.00 0.00 H new ATOM 0 HB2 ALA A 21 15.666 13.295 -2.995 1.00 0.00 H new ATOM 0 HB3 ALA A 21 14.255 14.370 -2.850 1.00 0.00 H new ATOM 273 N THR A 22 11.540 13.136 -2.487 1.00 0.00 N ATOM 274 CA THR A 22 10.260 13.382 -1.836 1.00 0.00 C ATOM 275 C THR A 22 9.110 12.787 -2.640 1.00 0.00 C ATOM 276 O THR A 22 7.983 13.280 -2.588 1.00 0.00 O ATOM 277 CB THR A 22 10.009 14.889 -1.640 1.00 0.00 C ATOM 278 OG1 THR A 22 9.920 15.540 -2.912 1.00 0.00 O ATOM 279 CG2 THR A 22 11.123 15.521 -0.818 1.00 0.00 C ATOM 0 H THR A 22 11.615 13.522 -3.428 1.00 0.00 H new ATOM 0 HA THR A 22 10.305 12.899 -0.860 1.00 0.00 H new ATOM 0 HB THR A 22 9.068 15.011 -1.103 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.759 16.497 -2.779 1.00 0.00 H new ATOM 0 HG21 THR A 22 10.924 16.585 -0.693 1.00 0.00 H new ATOM 0 HG22 THR A 22 11.169 15.043 0.160 1.00 0.00 H new ATOM 0 HG23 THR A 22 12.075 15.388 -1.332 1.00 0.00 H new ATOM 287 N CYS A 23 9.402 11.725 -3.383 1.00 0.00 N ATOM 288 CA CYS A 23 8.390 11.062 -4.200 1.00 0.00 C ATOM 289 C CYS A 23 8.503 9.546 -4.081 1.00 0.00 C ATOM 290 O CYS A 23 9.602 9.002 -3.979 1.00 0.00 O ATOM 291 CB CYS A 23 8.531 11.484 -5.664 1.00 0.00 C ATOM 292 SG CYS A 23 8.405 13.267 -5.934 1.00 0.00 S ATOM 0 H CYS A 23 10.330 11.305 -3.437 1.00 0.00 H new ATOM 0 HA CYS A 23 7.408 11.364 -3.835 1.00 0.00 H new ATOM 0 HB2 CYS A 23 9.494 11.138 -6.040 1.00 0.00 H new ATOM 0 HB3 CYS A 23 7.761 10.983 -6.251 1.00 0.00 H new ATOM 0 HG CYS A 23 8.539 13.525 -7.201 1.00 0.00 H new ATOM 298 N ALA A 24 7.359 8.870 -4.093 1.00 0.00 N ATOM 299 CA ALA A 24 7.330 7.417 -3.987 1.00 0.00 C ATOM 300 C ALA A 24 6.047 6.848 -4.585 1.00 0.00 C ATOM 301 O ALA A 24 4.946 7.214 -4.174 1.00 0.00 O ATOM 302 CB ALA A 24 7.471 6.991 -2.533 1.00 0.00 C ATOM 0 H ALA A 24 6.440 9.306 -4.175 1.00 0.00 H new ATOM 0 HA ALA A 24 8.172 7.019 -4.554 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.448 5.903 -2.469 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.418 7.358 -2.137 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.649 7.407 -1.951 1.00 0.00 H new ATOM 308 N GLN A 25 6.197 5.955 -5.557 1.00 0.00 N ATOM 309 CA GLN A 25 5.049 5.338 -6.211 1.00 0.00 C ATOM 310 C GLN A 25 4.809 3.931 -5.675 1.00 0.00 C ATOM 311 O GLN A 25 5.750 3.220 -5.323 1.00 0.00 O ATOM 312 CB GLN A 25 5.264 5.291 -7.725 1.00 0.00 C ATOM 313 CG GLN A 25 3.973 5.360 -8.525 1.00 0.00 C ATOM 314 CD GLN A 25 3.140 4.100 -8.399 1.00 0.00 C ATOM 315 OE1 GLN A 25 3.763 2.951 -8.634 1.00 0.00 O flip ATOM 316 NE2 GLN A 25 1.948 4.158 -8.095 1.00 0.00 N flip ATOM 0 H GLN A 25 7.102 5.642 -5.909 1.00 0.00 H new ATOM 0 HA GLN A 25 4.169 5.944 -5.995 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.908 6.120 -8.018 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.791 4.372 -7.980 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.386 6.214 -8.187 1.00 0.00 H new ATOM 0 HG3 GLN A 25 4.210 5.531 -9.575 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.509 5.062 -7.923 1.00 0.00 H new ATOM 0 HE22 GLN A 25 1.400 3.302 -8.015 1.00 0.00 H new ATOM 325 N VAL A 26 3.542 3.535 -5.616 1.00 0.00 N ATOM 326 CA VAL A 26 3.177 2.211 -5.123 1.00 0.00 C ATOM 327 C VAL A 26 2.266 1.489 -6.111 1.00 0.00 C ATOM 328 O VAL A 26 1.552 2.121 -6.887 1.00 0.00 O ATOM 329 CB VAL A 26 2.469 2.297 -3.758 1.00 0.00 C ATOM 330 CG1 VAL A 26 2.519 0.953 -3.045 1.00 0.00 C ATOM 331 CG2 VAL A 26 3.096 3.387 -2.900 1.00 0.00 C ATOM 0 H VAL A 26 2.751 4.111 -5.903 1.00 0.00 H new ATOM 0 HA VAL A 26 4.104 1.648 -5.009 1.00 0.00 H new ATOM 0 HB VAL A 26 1.423 2.555 -3.926 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.014 1.033 -2.082 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.021 0.199 -3.655 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.558 0.664 -2.887 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.583 3.434 -1.939 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.150 3.162 -2.738 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.004 4.347 -3.407 1.00 0.00 H new ATOM 341 N ASN A 27 2.298 0.161 -6.073 1.00 0.00 N ATOM 342 CA ASN A 27 1.475 -0.648 -6.965 1.00 0.00 C ATOM 343 C ASN A 27 1.128 -1.987 -6.320 1.00 0.00 C ATOM 344 O ASN A 27 1.998 -2.673 -5.785 1.00 0.00 O ATOM 345 CB ASN A 27 2.202 -0.882 -8.291 1.00 0.00 C ATOM 346 CG ASN A 27 1.926 0.214 -9.302 1.00 0.00 C ATOM 347 OD1 ASN A 27 0.790 0.666 -9.451 1.00 0.00 O ATOM 348 ND2 ASN A 27 2.967 0.647 -10.004 1.00 0.00 N ATOM 0 H ASN A 27 2.884 -0.377 -5.435 1.00 0.00 H new ATOM 0 HA ASN A 27 0.549 -0.106 -7.156 1.00 0.00 H new ATOM 0 HB2 ASN A 27 3.275 -0.943 -8.108 1.00 0.00 H new ATOM 0 HB3 ASN A 27 1.895 -1.842 -8.706 1.00 0.00 H new ATOM 0 HD21 ASN A 27 2.843 1.383 -10.699 1.00 0.00 H new ATOM 0 HD22 ASN A 27 3.891 0.244 -9.848 1.00 0.00 H new ATOM 355 N TRP A 28 -0.148 -2.350 -6.376 1.00 0.00 N ATOM 356 CA TRP A 28 -0.610 -3.607 -5.797 1.00 0.00 C ATOM 357 C TRP A 28 -1.471 -4.379 -6.791 1.00 0.00 C ATOM 358 O TRP A 28 -1.671 -3.941 -7.923 1.00 0.00 O ATOM 359 CB TRP A 28 -1.403 -3.341 -4.517 1.00 0.00 C ATOM 360 CG TRP A 28 -2.573 -2.426 -4.721 1.00 0.00 C ATOM 361 CD1 TRP A 28 -3.857 -2.790 -5.012 1.00 0.00 C ATOM 362 CD2 TRP A 28 -2.565 -0.996 -4.650 1.00 0.00 C ATOM 363 NE1 TRP A 28 -4.648 -1.672 -5.128 1.00 0.00 N ATOM 364 CE2 TRP A 28 -3.879 -0.559 -4.909 1.00 0.00 C ATOM 365 CE3 TRP A 28 -1.576 -0.043 -4.393 1.00 0.00 C ATOM 366 CZ2 TRP A 28 -4.226 0.789 -4.919 1.00 0.00 C ATOM 367 CZ3 TRP A 28 -1.923 1.294 -4.403 1.00 0.00 C ATOM 368 CH2 TRP A 28 -3.238 1.700 -4.663 1.00 0.00 C ATOM 0 H TRP A 28 -0.881 -1.793 -6.816 1.00 0.00 H new ATOM 0 HA TRP A 28 0.265 -4.211 -5.556 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.759 -4.290 -4.115 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.738 -2.908 -3.770 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -4.200 -3.807 -5.133 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.645 -1.671 -5.342 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.559 -0.346 -4.190 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -5.239 1.104 -5.122 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -1.167 2.040 -4.207 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -3.477 2.753 -4.661 1.00 0.00 H new ATOM 379 N GLU A 29 -1.975 -5.531 -6.360 1.00 0.00 N ATOM 380 CA GLU A 29 -2.813 -6.364 -7.215 1.00 0.00 C ATOM 381 C GLU A 29 -3.825 -7.150 -6.385 1.00 0.00 C ATOM 382 O GLU A 29 -3.765 -7.156 -5.155 1.00 0.00 O ATOM 383 CB GLU A 29 -1.949 -7.327 -8.032 1.00 0.00 C ATOM 384 CG GLU A 29 -1.308 -6.685 -9.250 1.00 0.00 C ATOM 385 CD GLU A 29 -2.284 -6.501 -10.395 1.00 0.00 C ATOM 386 OE1 GLU A 29 -2.739 -7.521 -10.955 1.00 0.00 O ATOM 387 OE2 GLU A 29 -2.593 -5.340 -10.732 1.00 0.00 O ATOM 0 H GLU A 29 -1.818 -5.908 -5.425 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.357 -5.709 -7.896 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.166 -7.732 -7.391 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.563 -8.167 -8.356 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -0.895 -5.716 -8.970 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -0.474 -7.302 -9.584 1.00 0.00 H new ATOM 394 N VAL A 30 -4.754 -7.813 -7.067 1.00 0.00 N ATOM 395 CA VAL A 30 -5.778 -8.602 -6.395 1.00 0.00 C ATOM 396 C VAL A 30 -5.353 -10.061 -6.268 1.00 0.00 C ATOM 397 O VAL A 30 -4.853 -10.671 -7.214 1.00 0.00 O ATOM 398 CB VAL A 30 -7.122 -8.534 -7.144 1.00 0.00 C ATOM 399 CG1 VAL A 30 -8.158 -9.416 -6.465 1.00 0.00 C ATOM 400 CG2 VAL A 30 -7.609 -7.095 -7.232 1.00 0.00 C ATOM 0 H VAL A 30 -4.818 -7.819 -8.085 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.903 -8.175 -5.400 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.973 -8.906 -8.158 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.101 -9.355 -7.009 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.809 -10.449 -6.459 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.308 -9.078 -5.440 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.560 -7.065 -7.764 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.743 -6.694 -6.227 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.874 -6.494 -7.768 1.00 0.00 H new ATOM 410 N PRO A 31 -5.557 -10.636 -5.074 1.00 0.00 N ATOM 411 CA PRO A 31 -5.202 -12.031 -4.796 1.00 0.00 C ATOM 412 C PRO A 31 -6.104 -13.015 -5.533 1.00 0.00 C ATOM 413 O PRO A 31 -7.042 -12.616 -6.226 1.00 0.00 O ATOM 414 CB PRO A 31 -5.401 -12.152 -3.284 1.00 0.00 C ATOM 415 CG PRO A 31 -6.402 -11.101 -2.947 1.00 0.00 C ATOM 416 CD PRO A 31 -6.149 -9.968 -3.903 1.00 0.00 C ATOM 0 HA PRO A 31 -4.191 -12.269 -5.127 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.761 -13.144 -3.010 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.465 -11.994 -2.748 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -7.418 -11.481 -3.052 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -6.290 -10.772 -1.914 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -7.071 -9.447 -4.161 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.472 -9.227 -3.478 1.00 0.00 H new ATOM 424 N LEU A 32 -5.815 -14.303 -5.380 1.00 0.00 N ATOM 425 CA LEU A 32 -6.601 -15.346 -6.031 1.00 0.00 C ATOM 426 C LEU A 32 -7.993 -15.444 -5.415 1.00 0.00 C ATOM 427 O LEU A 32 -8.268 -16.342 -4.618 1.00 0.00 O ATOM 428 CB LEU A 32 -5.886 -16.694 -5.921 1.00 0.00 C ATOM 429 CG LEU A 32 -6.207 -17.715 -7.012 1.00 0.00 C ATOM 430 CD1 LEU A 32 -5.106 -18.759 -7.108 1.00 0.00 C ATOM 431 CD2 LEU A 32 -7.550 -18.378 -6.745 1.00 0.00 C ATOM 0 H LEU A 32 -5.043 -14.650 -4.811 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.708 -15.083 -7.083 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.811 -16.514 -5.925 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.132 -17.135 -4.955 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.266 -17.190 -7.966 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.353 -19.477 -7.890 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.162 -18.271 -7.348 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.013 -19.279 -6.154 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.761 -19.102 -7.532 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.519 -18.888 -5.782 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.333 -17.620 -6.729 1.00 0.00 H new ATOM 443 N SER A 33 -8.867 -14.516 -5.790 1.00 0.00 N ATOM 444 CA SER A 33 -10.231 -14.497 -5.273 1.00 0.00 C ATOM 445 C SER A 33 -11.229 -14.878 -6.361 1.00 0.00 C ATOM 446 O SER A 33 -11.450 -14.125 -7.309 1.00 0.00 O ATOM 447 CB SER A 33 -10.568 -13.112 -4.718 1.00 0.00 C ATOM 448 OG SER A 33 -9.602 -12.694 -3.770 1.00 0.00 O ATOM 0 H SER A 33 -8.656 -13.767 -6.450 1.00 0.00 H new ATOM 0 HA SER A 33 -10.300 -15.230 -4.469 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.616 -12.391 -5.534 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.553 -13.133 -4.253 1.00 0.00 H new ATOM 0 HG SER A 33 -9.746 -11.750 -3.551 1.00 0.00 H new ATOM 454 N ASN A 34 -11.831 -16.055 -6.217 1.00 0.00 N ATOM 455 CA ASN A 34 -12.807 -16.538 -7.187 1.00 0.00 C ATOM 456 C ASN A 34 -14.230 -16.291 -6.697 1.00 0.00 C ATOM 457 O ASN A 34 -15.056 -15.729 -7.415 1.00 0.00 O ATOM 458 CB ASN A 34 -12.598 -18.031 -7.450 1.00 0.00 C ATOM 459 CG ASN A 34 -12.392 -18.820 -6.172 1.00 0.00 C ATOM 460 OD1 ASN A 34 -11.168 -18.803 -5.658 1.00 0.00 O flip ATOM 461 ND2 ASN A 34 -13.322 -19.438 -5.654 1.00 0.00 N flip ATOM 0 H ASN A 34 -11.660 -16.691 -5.438 1.00 0.00 H new ATOM 0 HA ASN A 34 -12.662 -15.987 -8.116 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -13.462 -18.428 -7.983 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -11.733 -18.165 -8.100 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -14.247 -19.423 -6.084 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -13.168 -19.965 -4.794 1.00 0.00 H new ATOM 468 N GLY A 35 -14.510 -16.714 -5.468 1.00 0.00 N ATOM 469 CA GLY A 35 -15.832 -16.528 -4.902 1.00 0.00 C ATOM 470 C GLY A 35 -16.242 -15.070 -4.849 1.00 0.00 C ATOM 471 O GLY A 35 -16.788 -14.534 -5.814 1.00 0.00 O ATOM 0 H GLY A 35 -13.844 -17.183 -4.854 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -16.558 -17.085 -5.494 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -15.854 -16.945 -3.895 1.00 0.00 H new ATOM 475 N THR A 36 -15.978 -14.423 -3.718 1.00 0.00 N ATOM 476 CA THR A 36 -16.325 -13.019 -3.541 1.00 0.00 C ATOM 477 C THR A 36 -15.272 -12.110 -4.165 1.00 0.00 C ATOM 478 O THR A 36 -14.076 -12.393 -4.099 1.00 0.00 O ATOM 479 CB THR A 36 -16.479 -12.661 -2.051 1.00 0.00 C ATOM 480 OG1 THR A 36 -16.863 -11.288 -1.914 1.00 0.00 O ATOM 481 CG2 THR A 36 -15.180 -12.906 -1.299 1.00 0.00 C ATOM 0 H THR A 36 -15.524 -14.850 -2.910 1.00 0.00 H new ATOM 0 HA THR A 36 -17.279 -12.864 -4.044 1.00 0.00 H new ATOM 0 HB THR A 36 -17.253 -13.299 -1.625 1.00 0.00 H new ATOM 0 HG1 THR A 36 -16.061 -10.729 -1.848 1.00 0.00 H new ATOM 0 HG21 THR A 36 -15.313 -12.646 -0.249 1.00 0.00 H new ATOM 0 HG22 THR A 36 -14.905 -13.958 -1.381 1.00 0.00 H new ATOM 0 HG23 THR A 36 -14.390 -12.290 -1.728 1.00 0.00 H new ATOM 489 N ASP A 37 -15.724 -11.016 -4.769 1.00 0.00 N ATOM 490 CA ASP A 37 -14.820 -10.065 -5.403 1.00 0.00 C ATOM 491 C ASP A 37 -14.512 -8.900 -4.466 1.00 0.00 C ATOM 492 O ASP A 37 -15.284 -8.604 -3.555 1.00 0.00 O ATOM 493 CB ASP A 37 -15.428 -9.540 -6.705 1.00 0.00 C ATOM 494 CG ASP A 37 -15.412 -10.579 -7.810 1.00 0.00 C ATOM 495 OD1 ASP A 37 -16.242 -11.512 -7.758 1.00 0.00 O ATOM 496 OD2 ASP A 37 -14.574 -10.458 -8.727 1.00 0.00 O ATOM 0 H ASP A 37 -16.711 -10.767 -4.832 1.00 0.00 H new ATOM 0 HA ASP A 37 -13.888 -10.583 -5.629 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -16.455 -9.224 -6.522 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -14.876 -8.658 -7.031 1.00 0.00 H new ATOM 501 N VAL A 38 -13.378 -8.245 -4.696 1.00 0.00 N ATOM 502 CA VAL A 38 -12.968 -7.115 -3.873 1.00 0.00 C ATOM 503 C VAL A 38 -13.767 -5.863 -4.222 1.00 0.00 C ATOM 504 O VAL A 38 -13.970 -5.549 -5.395 1.00 0.00 O ATOM 505 CB VAL A 38 -11.467 -6.815 -4.039 1.00 0.00 C ATOM 506 CG1 VAL A 38 -11.000 -5.825 -2.982 1.00 0.00 C ATOM 507 CG2 VAL A 38 -10.656 -8.101 -3.973 1.00 0.00 C ATOM 0 H VAL A 38 -12.727 -8.478 -5.446 1.00 0.00 H new ATOM 0 HA VAL A 38 -13.163 -7.391 -2.837 1.00 0.00 H new ATOM 0 HB VAL A 38 -11.311 -6.364 -5.019 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.937 -5.625 -3.115 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.559 -4.895 -3.082 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -11.169 -6.245 -1.990 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.597 -7.870 -4.092 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.816 -8.583 -3.008 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.973 -8.772 -4.771 1.00 0.00 H new ATOM 517 N THR A 39 -14.218 -5.151 -3.194 1.00 0.00 N ATOM 518 CA THR A 39 -14.995 -3.934 -3.391 1.00 0.00 C ATOM 519 C THR A 39 -14.086 -2.722 -3.563 1.00 0.00 C ATOM 520 O THR A 39 -14.233 -1.955 -4.514 1.00 0.00 O ATOM 521 CB THR A 39 -15.951 -3.679 -2.209 1.00 0.00 C ATOM 522 OG1 THR A 39 -15.289 -3.973 -0.973 1.00 0.00 O ATOM 523 CG2 THR A 39 -17.204 -4.532 -2.335 1.00 0.00 C ATOM 0 H THR A 39 -14.058 -5.396 -2.217 1.00 0.00 H new ATOM 0 HA THR A 39 -15.581 -4.078 -4.299 1.00 0.00 H new ATOM 0 HB THR A 39 -16.242 -2.629 -2.224 1.00 0.00 H new ATOM 0 HG1 THR A 39 -15.902 -3.807 -0.226 1.00 0.00 H new ATOM 0 HG21 THR A 39 -17.864 -4.336 -1.490 1.00 0.00 H new ATOM 0 HG22 THR A 39 -17.720 -4.286 -3.263 1.00 0.00 H new ATOM 0 HG23 THR A 39 -16.927 -5.586 -2.342 1.00 0.00 H new ATOM 531 N GLU A 40 -13.145 -2.558 -2.638 1.00 0.00 N ATOM 532 CA GLU A 40 -12.212 -1.439 -2.689 1.00 0.00 C ATOM 533 C GLU A 40 -10.853 -1.837 -2.119 1.00 0.00 C ATOM 534 O GLU A 40 -10.632 -2.994 -1.764 1.00 0.00 O ATOM 535 CB GLU A 40 -12.772 -0.243 -1.916 1.00 0.00 C ATOM 536 CG GLU A 40 -12.611 -0.362 -0.411 1.00 0.00 C ATOM 537 CD GLU A 40 -13.644 0.444 0.352 1.00 0.00 C ATOM 538 OE1 GLU A 40 -14.728 0.706 -0.211 1.00 0.00 O ATOM 539 OE2 GLU A 40 -13.368 0.814 1.513 1.00 0.00 O ATOM 0 H GLU A 40 -13.009 -3.185 -1.845 1.00 0.00 H new ATOM 0 HA GLU A 40 -12.080 -1.157 -3.734 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.273 0.664 -2.256 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.830 -0.132 -2.152 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -12.689 -1.410 -0.123 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.613 -0.027 -0.129 1.00 0.00 H new ATOM 546 N TYR A 41 -9.948 -0.868 -2.034 1.00 0.00 N ATOM 547 CA TYR A 41 -8.610 -1.116 -1.509 1.00 0.00 C ATOM 548 C TYR A 41 -8.162 0.022 -0.599 1.00 0.00 C ATOM 549 O TYR A 41 -8.074 1.174 -1.025 1.00 0.00 O ATOM 550 CB TYR A 41 -7.614 -1.290 -2.657 1.00 0.00 C ATOM 551 CG TYR A 41 -8.043 -2.314 -3.682 1.00 0.00 C ATOM 552 CD1 TYR A 41 -8.950 -1.987 -4.683 1.00 0.00 C ATOM 553 CD2 TYR A 41 -7.543 -3.610 -3.651 1.00 0.00 C ATOM 554 CE1 TYR A 41 -9.346 -2.920 -5.622 1.00 0.00 C ATOM 555 CE2 TYR A 41 -7.932 -4.549 -4.585 1.00 0.00 C ATOM 556 CZ TYR A 41 -8.834 -4.200 -5.569 1.00 0.00 C ATOM 557 OH TYR A 41 -9.225 -5.132 -6.502 1.00 0.00 O ATOM 0 H TYR A 41 -10.116 0.096 -2.322 1.00 0.00 H new ATOM 0 HA TYR A 41 -8.642 -2.034 -0.922 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -7.473 -0.330 -3.153 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -6.647 -1.582 -2.247 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -9.352 -0.986 -4.728 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -6.837 -3.888 -2.882 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -10.052 -2.649 -6.393 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -7.532 -5.552 -4.546 1.00 0.00 H new ATOM 0 HH TYR A 41 -8.903 -4.863 -7.388 1.00 0.00 H new ATOM 567 N ARG A 42 -7.879 -0.309 0.656 1.00 0.00 N ATOM 568 CA ARG A 42 -7.440 0.686 1.628 1.00 0.00 C ATOM 569 C ARG A 42 -5.928 0.620 1.829 1.00 0.00 C ATOM 570 O ARG A 42 -5.412 -0.320 2.434 1.00 0.00 O ATOM 571 CB ARG A 42 -8.151 0.472 2.966 1.00 0.00 C ATOM 572 CG ARG A 42 -9.481 1.200 3.071 1.00 0.00 C ATOM 573 CD ARG A 42 -9.821 1.533 4.515 1.00 0.00 C ATOM 574 NE ARG A 42 -10.099 0.336 5.302 1.00 0.00 N ATOM 575 CZ ARG A 42 -10.177 0.330 6.629 1.00 0.00 C ATOM 576 NH1 ARG A 42 -9.999 1.453 7.312 1.00 0.00 N ATOM 577 NH2 ARG A 42 -10.434 -0.801 7.274 1.00 0.00 N ATOM 0 H ARG A 42 -7.946 -1.258 1.024 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.696 1.672 1.241 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.318 -0.595 3.113 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.498 0.807 3.772 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.442 2.118 2.484 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.270 0.582 2.643 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.992 2.079 4.966 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.688 2.193 4.540 1.00 0.00 H new ATOM 0 HE ARG A 42 -10.241 -0.544 4.807 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -9.802 2.324 6.819 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -10.059 1.446 8.330 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -10.572 -1.666 6.751 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.494 -0.805 8.292 1.00 0.00 H new ATOM 591 N LEU A 43 -5.224 1.623 1.315 1.00 0.00 N ATOM 592 CA LEU A 43 -3.773 1.680 1.437 1.00 0.00 C ATOM 593 C LEU A 43 -3.356 2.637 2.548 1.00 0.00 C ATOM 594 O LEU A 43 -3.795 3.785 2.588 1.00 0.00 O ATOM 595 CB LEU A 43 -3.146 2.117 0.111 1.00 0.00 C ATOM 596 CG LEU A 43 -1.622 2.229 0.092 1.00 0.00 C ATOM 597 CD1 LEU A 43 -0.986 0.849 0.014 1.00 0.00 C ATOM 598 CD2 LEU A 43 -1.164 3.095 -1.072 1.00 0.00 C ATOM 0 H LEU A 43 -5.636 2.408 0.810 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.416 0.682 1.690 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.448 1.409 -0.661 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.565 3.085 -0.164 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.301 2.703 1.019 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.099 0.949 0.001 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.286 0.260 0.881 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.315 0.348 -0.896 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.076 3.163 -1.069 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.497 2.650 -2.010 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.590 4.093 -0.973 1.00 0.00 H new ATOM 610 N GLU A 44 -2.504 2.156 3.448 1.00 0.00 N ATOM 611 CA GLU A 44 -2.027 2.970 4.560 1.00 0.00 C ATOM 612 C GLU A 44 -0.548 3.309 4.392 1.00 0.00 C ATOM 613 O GLU A 44 0.256 2.453 4.022 1.00 0.00 O ATOM 614 CB GLU A 44 -2.247 2.240 5.887 1.00 0.00 C ATOM 615 CG GLU A 44 -3.702 2.187 6.318 1.00 0.00 C ATOM 616 CD GLU A 44 -3.864 2.151 7.826 1.00 0.00 C ATOM 617 OE1 GLU A 44 -2.940 2.608 8.531 1.00 0.00 O ATOM 618 OE2 GLU A 44 -4.911 1.667 8.300 1.00 0.00 O ATOM 0 H GLU A 44 -2.130 1.207 3.429 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.596 3.900 4.566 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.865 1.223 5.800 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.664 2.734 6.665 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.226 3.056 5.921 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.173 1.305 5.885 1.00 0.00 H new ATOM 625 N TRP A 45 -0.199 4.560 4.665 1.00 0.00 N ATOM 626 CA TRP A 45 1.182 5.012 4.544 1.00 0.00 C ATOM 627 C TRP A 45 1.509 6.053 5.609 1.00 0.00 C ATOM 628 O TRP A 45 0.834 7.074 5.722 1.00 0.00 O ATOM 629 CB TRP A 45 1.429 5.595 3.151 1.00 0.00 C ATOM 630 CG TRP A 45 2.827 6.099 2.958 1.00 0.00 C ATOM 631 CD1 TRP A 45 3.425 7.130 3.622 1.00 0.00 C ATOM 632 CD2 TRP A 45 3.800 5.594 2.037 1.00 0.00 C ATOM 633 NE1 TRP A 45 4.713 7.297 3.169 1.00 0.00 N ATOM 634 CE2 TRP A 45 4.966 6.367 2.197 1.00 0.00 C ATOM 635 CE3 TRP A 45 3.799 4.563 1.093 1.00 0.00 C ATOM 636 CZ2 TRP A 45 6.118 6.140 1.448 1.00 0.00 C ATOM 637 CZ3 TRP A 45 4.942 4.340 0.351 1.00 0.00 C ATOM 638 CH2 TRP A 45 6.090 5.124 0.532 1.00 0.00 C ATOM 0 H TRP A 45 -0.853 5.280 4.972 1.00 0.00 H new ATOM 0 HA TRP A 45 1.834 4.151 4.691 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.219 4.831 2.403 1.00 0.00 H new ATOM 0 HB3 TRP A 45 0.729 6.412 2.977 1.00 0.00 H new ATOM 0 HD1 TRP A 45 2.956 7.727 4.390 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.372 8.000 3.503 1.00 0.00 H new ATOM 0 HE3 TRP A 45 2.920 3.952 0.947 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 7.002 6.745 1.585 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 4.952 3.547 -0.382 1.00 0.00 H new ATOM 0 HH2 TRP A 45 6.969 4.922 -0.063 1.00 0.00 H new ATOM 649 N GLY A 46 2.552 5.786 6.390 1.00 0.00 N ATOM 650 CA GLY A 46 2.951 6.709 7.437 1.00 0.00 C ATOM 651 C GLY A 46 4.454 6.752 7.629 1.00 0.00 C ATOM 652 O GLY A 46 5.176 5.887 7.134 1.00 0.00 O ATOM 0 H GLY A 46 3.128 4.947 6.316 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.590 7.708 7.193 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.476 6.418 8.374 1.00 0.00 H new ATOM 656 N GLY A 47 4.928 7.764 8.351 1.00 0.00 N ATOM 657 CA GLY A 47 6.351 7.898 8.594 1.00 0.00 C ATOM 658 C GLY A 47 6.993 6.594 9.026 1.00 0.00 C ATOM 659 O GLY A 47 7.847 6.052 8.325 1.00 0.00 O ATOM 0 H GLY A 47 4.351 8.493 8.771 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.839 8.256 7.687 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.515 8.652 9.364 1.00 0.00 H new ATOM 663 N VAL A 48 6.580 6.090 10.184 1.00 0.00 N ATOM 664 CA VAL A 48 7.120 4.841 10.710 1.00 0.00 C ATOM 665 C VAL A 48 6.044 3.762 10.777 1.00 0.00 C ATOM 666 O VAL A 48 4.851 4.061 10.762 1.00 0.00 O ATOM 667 CB VAL A 48 7.723 5.036 12.113 1.00 0.00 C ATOM 668 CG1 VAL A 48 6.625 5.079 13.165 1.00 0.00 C ATOM 669 CG2 VAL A 48 8.724 3.933 12.421 1.00 0.00 C ATOM 0 H VAL A 48 5.874 6.527 10.776 1.00 0.00 H new ATOM 0 HA VAL A 48 7.907 4.524 10.026 1.00 0.00 H new ATOM 0 HB VAL A 48 8.250 5.990 12.133 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.070 5.217 14.150 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.950 5.908 12.952 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.067 4.143 13.147 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.140 4.087 13.417 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.223 2.966 12.383 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.527 3.955 11.685 1.00 0.00 H new ATOM 679 N GLU A 49 6.476 2.507 10.849 1.00 0.00 N ATOM 680 CA GLU A 49 5.549 1.384 10.918 1.00 0.00 C ATOM 681 C GLU A 49 4.534 1.583 12.040 1.00 0.00 C ATOM 682 O GLU A 49 3.342 1.338 11.864 1.00 0.00 O ATOM 683 CB GLU A 49 6.313 0.076 11.133 1.00 0.00 C ATOM 684 CG GLU A 49 5.483 -1.012 11.795 1.00 0.00 C ATOM 685 CD GLU A 49 6.050 -2.400 11.564 1.00 0.00 C ATOM 686 OE1 GLU A 49 6.037 -2.860 10.403 1.00 0.00 O ATOM 687 OE2 GLU A 49 6.506 -3.026 12.543 1.00 0.00 O ATOM 0 H GLU A 49 7.461 2.243 10.861 1.00 0.00 H new ATOM 0 HA GLU A 49 5.012 1.332 9.971 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.672 -0.288 10.170 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.192 0.275 11.746 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.427 -0.820 12.867 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.464 -0.971 11.410 1.00 0.00 H new ATOM 694 N GLY A 50 5.018 2.030 13.195 1.00 0.00 N ATOM 695 CA GLY A 50 4.141 2.254 14.329 1.00 0.00 C ATOM 696 C GLY A 50 3.040 3.249 14.023 1.00 0.00 C ATOM 697 O GLY A 50 1.919 3.116 14.514 1.00 0.00 O ATOM 0 H GLY A 50 6.001 2.241 13.365 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.696 1.307 14.633 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.729 2.615 15.173 1.00 0.00 H new ATOM 701 N SER A 51 3.359 4.251 13.209 1.00 0.00 N ATOM 702 CA SER A 51 2.388 5.276 12.842 1.00 0.00 C ATOM 703 C SER A 51 1.965 5.126 11.384 1.00 0.00 C ATOM 704 O SER A 51 2.772 5.300 10.471 1.00 0.00 O ATOM 705 CB SER A 51 2.976 6.670 13.074 1.00 0.00 C ATOM 706 OG SER A 51 2.219 7.661 12.399 1.00 0.00 O ATOM 0 H SER A 51 4.281 4.375 12.792 1.00 0.00 H new ATOM 0 HA SER A 51 1.507 5.151 13.472 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.995 6.887 14.142 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.008 6.696 12.725 1.00 0.00 H new ATOM 0 HG SER A 51 2.614 8.543 12.564 1.00 0.00 H new ATOM 712 N MET A 52 0.694 4.801 11.175 1.00 0.00 N ATOM 713 CA MET A 52 0.161 4.629 9.828 1.00 0.00 C ATOM 714 C MET A 52 -1.353 4.811 9.814 1.00 0.00 C ATOM 715 O MET A 52 -2.039 4.449 10.770 1.00 0.00 O ATOM 716 CB MET A 52 0.524 3.244 9.287 1.00 0.00 C ATOM 717 CG MET A 52 2.018 2.962 9.292 1.00 0.00 C ATOM 718 SD MET A 52 2.423 1.354 8.585 1.00 0.00 S ATOM 719 CE MET A 52 2.306 1.715 6.834 1.00 0.00 C ATOM 0 H MET A 52 0.014 4.651 11.920 1.00 0.00 H new ATOM 0 HA MET A 52 0.606 5.391 9.188 1.00 0.00 H new ATOM 0 HB2 MET A 52 0.017 2.486 9.884 1.00 0.00 H new ATOM 0 HB3 MET A 52 0.148 3.151 8.268 1.00 0.00 H new ATOM 0 HG2 MET A 52 2.533 3.742 8.731 1.00 0.00 H new ATOM 0 HG3 MET A 52 2.389 3.008 10.316 1.00 0.00 H new ATOM 0 HE1 MET A 52 2.764 0.906 6.264 1.00 0.00 H new ATOM 0 HE2 MET A 52 1.258 1.810 6.551 1.00 0.00 H new ATOM 0 HE3 MET A 52 2.826 2.649 6.620 1.00 0.00 H new ATOM 729 N GLN A 53 -1.867 5.375 8.726 1.00 0.00 N ATOM 730 CA GLN A 53 -3.300 5.606 8.589 1.00 0.00 C ATOM 731 C GLN A 53 -3.731 5.510 7.130 1.00 0.00 C ATOM 732 O GLN A 53 -2.905 5.298 6.242 1.00 0.00 O ATOM 733 CB GLN A 53 -3.673 6.978 9.155 1.00 0.00 C ATOM 734 CG GLN A 53 -3.506 7.080 10.662 1.00 0.00 C ATOM 735 CD GLN A 53 -4.299 8.225 11.261 1.00 0.00 C ATOM 736 OE1 GLN A 53 -4.097 9.387 10.907 1.00 0.00 O ATOM 737 NE2 GLN A 53 -5.208 7.902 12.174 1.00 0.00 N ATOM 0 H GLN A 53 -1.312 5.680 7.926 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.822 4.833 9.153 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -3.056 7.739 8.677 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -4.709 7.199 8.897 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.822 6.144 11.123 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.450 7.211 10.899 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.342 6.926 12.437 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -5.772 8.630 12.612 1.00 0.00 H new ATOM 746 N ILE A 54 -5.028 5.667 6.890 1.00 0.00 N ATOM 747 CA ILE A 54 -5.568 5.600 5.538 1.00 0.00 C ATOM 748 C ILE A 54 -5.120 6.797 4.706 1.00 0.00 C ATOM 749 O ILE A 54 -5.469 7.940 5.006 1.00 0.00 O ATOM 750 CB ILE A 54 -7.107 5.543 5.548 1.00 0.00 C ATOM 751 CG1 ILE A 54 -7.594 4.490 6.545 1.00 0.00 C ATOM 752 CG2 ILE A 54 -7.635 5.245 4.153 1.00 0.00 C ATOM 753 CD1 ILE A 54 -7.001 3.117 6.311 1.00 0.00 C ATOM 0 H ILE A 54 -5.725 5.842 7.614 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.182 4.685 5.090 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.490 6.515 5.860 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.347 4.816 7.555 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.680 4.422 6.488 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.724 5.208 4.176 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.313 6.029 3.467 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.246 4.285 3.814 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -7.390 2.421 7.054 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.269 2.770 5.313 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.916 3.170 6.397 1.00 0.00 H new ATOM 765 N CYS A 55 -4.347 6.527 3.660 1.00 0.00 N ATOM 766 CA CYS A 55 -3.851 7.582 2.784 1.00 0.00 C ATOM 767 C CYS A 55 -4.701 7.685 1.521 1.00 0.00 C ATOM 768 O CYS A 55 -5.045 8.781 1.079 1.00 0.00 O ATOM 769 CB CYS A 55 -2.391 7.321 2.410 1.00 0.00 C ATOM 770 SG CYS A 55 -1.195 8.057 3.548 1.00 0.00 S ATOM 0 H CYS A 55 -4.050 5.587 3.398 1.00 0.00 H new ATOM 0 HA CYS A 55 -3.917 8.527 3.323 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -2.224 6.245 2.371 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -2.209 7.709 1.408 1.00 0.00 H new ATOM 0 HG CYS A 55 -0.713 7.135 4.327 1.00 0.00 H new ATOM 776 N TYR A 56 -5.035 6.535 0.945 1.00 0.00 N ATOM 777 CA TYR A 56 -5.842 6.495 -0.269 1.00 0.00 C ATOM 778 C TYR A 56 -6.810 5.316 -0.241 1.00 0.00 C ATOM 779 O TYR A 56 -6.464 4.225 0.215 1.00 0.00 O ATOM 780 CB TYR A 56 -4.940 6.400 -1.502 1.00 0.00 C ATOM 781 CG TYR A 56 -5.677 6.002 -2.760 1.00 0.00 C ATOM 782 CD1 TYR A 56 -5.903 4.665 -3.063 1.00 0.00 C ATOM 783 CD2 TYR A 56 -6.148 6.963 -3.648 1.00 0.00 C ATOM 784 CE1 TYR A 56 -6.575 4.296 -4.213 1.00 0.00 C ATOM 785 CE2 TYR A 56 -6.822 6.603 -4.798 1.00 0.00 C ATOM 786 CZ TYR A 56 -7.032 5.269 -5.077 1.00 0.00 C ATOM 787 OH TYR A 56 -7.703 4.906 -6.223 1.00 0.00 O ATOM 0 H TYR A 56 -4.760 5.619 1.299 1.00 0.00 H new ATOM 0 HA TYR A 56 -6.422 7.416 -0.321 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -4.456 7.363 -1.663 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -4.150 5.675 -1.309 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -5.547 3.901 -2.388 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -5.984 8.009 -3.434 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -6.741 3.252 -4.434 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -7.183 7.362 -5.476 1.00 0.00 H new ATOM 0 HH TYR A 56 -7.958 5.710 -6.721 1.00 0.00 H new ATOM 797 N CYS A 57 -8.023 5.545 -0.732 1.00 0.00 N ATOM 798 CA CYS A 57 -9.043 4.503 -0.765 1.00 0.00 C ATOM 799 C CYS A 57 -9.785 4.508 -2.098 1.00 0.00 C ATOM 800 O CYS A 57 -10.242 5.551 -2.561 1.00 0.00 O ATOM 801 CB CYS A 57 -10.033 4.694 0.384 1.00 0.00 C ATOM 802 SG CYS A 57 -11.438 5.759 -0.022 1.00 0.00 S ATOM 0 H CYS A 57 -8.324 6.442 -1.112 1.00 0.00 H new ATOM 0 HA CYS A 57 -8.546 3.540 -0.651 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -10.408 3.718 0.693 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -9.505 5.117 1.238 1.00 0.00 H new ATOM 0 HG CYS A 57 -11.422 6.032 -1.293 1.00 0.00 H new ATOM 808 N GLY A 58 -9.897 3.334 -2.712 1.00 0.00 N ATOM 809 CA GLY A 58 -10.582 3.226 -3.987 1.00 0.00 C ATOM 810 C GLY A 58 -10.284 1.920 -4.697 1.00 0.00 C ATOM 811 O GLY A 58 -9.377 1.177 -4.319 1.00 0.00 O ATOM 0 H GLY A 58 -9.526 2.456 -2.349 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -11.657 3.312 -3.827 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.287 4.059 -4.626 1.00 0.00 H new ATOM 815 N PRO A 59 -11.059 1.623 -5.749 1.00 0.00 N ATOM 816 CA PRO A 59 -10.893 0.397 -6.535 1.00 0.00 C ATOM 817 C PRO A 59 -9.610 0.405 -7.358 1.00 0.00 C ATOM 818 O PRO A 59 -9.279 -0.578 -8.019 1.00 0.00 O ATOM 819 CB PRO A 59 -12.118 0.395 -7.452 1.00 0.00 C ATOM 820 CG PRO A 59 -12.504 1.829 -7.574 1.00 0.00 C ATOM 821 CD PRO A 59 -12.158 2.463 -6.254 1.00 0.00 C ATOM 0 HA PRO A 59 -10.817 -0.486 -5.901 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -11.883 -0.036 -8.425 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -12.928 -0.198 -7.028 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -11.966 2.310 -8.391 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -13.568 1.930 -7.789 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.847 3.501 -6.376 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -13.009 2.463 -5.573 1.00 0.00 H new ATOM 829 N GLY A 60 -8.891 1.523 -7.315 1.00 0.00 N ATOM 830 CA GLY A 60 -7.652 1.638 -8.061 1.00 0.00 C ATOM 831 C GLY A 60 -6.633 0.590 -7.657 1.00 0.00 C ATOM 832 O GLY A 60 -6.737 -0.007 -6.586 1.00 0.00 O ATOM 0 H GLY A 60 -9.145 2.351 -6.776 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.863 1.544 -9.126 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.229 2.631 -7.906 1.00 0.00 H new ATOM 836 N LEU A 61 -5.645 0.367 -8.517 1.00 0.00 N ATOM 837 CA LEU A 61 -4.603 -0.618 -8.246 1.00 0.00 C ATOM 838 C LEU A 61 -3.237 0.052 -8.139 1.00 0.00 C ATOM 839 O LEU A 61 -2.308 -0.499 -7.548 1.00 0.00 O ATOM 840 CB LEU A 61 -4.579 -1.681 -9.345 1.00 0.00 C ATOM 841 CG LEU A 61 -5.846 -2.524 -9.491 1.00 0.00 C ATOM 842 CD1 LEU A 61 -5.790 -3.355 -10.764 1.00 0.00 C ATOM 843 CD2 LEU A 61 -6.034 -3.419 -8.274 1.00 0.00 C ATOM 0 H LEU A 61 -5.543 0.854 -9.407 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.828 -1.097 -7.293 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.384 -1.187 -10.297 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.740 -2.351 -9.156 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.702 -1.852 -9.558 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.700 -3.949 -10.851 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.704 -2.694 -11.626 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.926 -4.019 -10.728 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.941 -4.012 -8.395 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.176 -4.084 -8.175 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.120 -2.803 -7.379 1.00 0.00 H new ATOM 855 N SER A 62 -3.121 1.245 -8.715 1.00 0.00 N ATOM 856 CA SER A 62 -1.868 1.990 -8.686 1.00 0.00 C ATOM 857 C SER A 62 -2.074 3.379 -8.091 1.00 0.00 C ATOM 858 O SER A 62 -3.045 4.066 -8.411 1.00 0.00 O ATOM 859 CB SER A 62 -1.288 2.108 -10.097 1.00 0.00 C ATOM 860 OG SER A 62 -2.188 2.777 -10.964 1.00 0.00 O ATOM 0 H SER A 62 -3.880 1.716 -9.207 1.00 0.00 H new ATOM 0 HA SER A 62 -1.165 1.445 -8.056 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.343 2.649 -10.061 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.071 1.114 -10.489 1.00 0.00 H new ATOM 0 HG SER A 62 -1.794 2.841 -11.859 1.00 0.00 H new ATOM 866 N TYR A 63 -1.156 3.786 -7.223 1.00 0.00 N ATOM 867 CA TYR A 63 -1.237 5.093 -6.579 1.00 0.00 C ATOM 868 C TYR A 63 0.153 5.685 -6.371 1.00 0.00 C ATOM 869 O TYR A 63 1.093 4.978 -6.008 1.00 0.00 O ATOM 870 CB TYR A 63 -1.961 4.979 -5.237 1.00 0.00 C ATOM 871 CG TYR A 63 -2.155 6.306 -4.540 1.00 0.00 C ATOM 872 CD1 TYR A 63 -3.216 7.140 -4.874 1.00 0.00 C ATOM 873 CD2 TYR A 63 -1.279 6.728 -3.548 1.00 0.00 C ATOM 874 CE1 TYR A 63 -3.397 8.355 -4.240 1.00 0.00 C ATOM 875 CE2 TYR A 63 -1.453 7.939 -2.908 1.00 0.00 C ATOM 876 CZ TYR A 63 -2.513 8.749 -3.257 1.00 0.00 C ATOM 877 OH TYR A 63 -2.689 9.957 -2.623 1.00 0.00 O ATOM 0 H TYR A 63 -0.346 3.230 -6.948 1.00 0.00 H new ATOM 0 HA TYR A 63 -1.801 5.758 -7.233 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -2.935 4.516 -5.397 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -1.396 4.314 -4.584 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -3.911 6.833 -5.642 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -0.447 6.097 -3.272 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -4.225 8.992 -4.513 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -0.763 8.250 -2.138 1.00 0.00 H new ATOM 0 HH TYR A 63 -1.981 10.083 -1.957 1.00 0.00 H new ATOM 887 N GLU A 64 0.276 6.987 -6.605 1.00 0.00 N ATOM 888 CA GLU A 64 1.550 7.676 -6.443 1.00 0.00 C ATOM 889 C GLU A 64 1.520 8.600 -5.229 1.00 0.00 C ATOM 890 O GLU A 64 0.579 9.374 -5.049 1.00 0.00 O ATOM 891 CB GLU A 64 1.884 8.480 -7.702 1.00 0.00 C ATOM 892 CG GLU A 64 2.946 9.544 -7.480 1.00 0.00 C ATOM 893 CD GLU A 64 3.461 10.134 -8.779 1.00 0.00 C ATOM 894 OE1 GLU A 64 3.418 9.428 -9.808 1.00 0.00 O ATOM 895 OE2 GLU A 64 3.907 11.300 -8.765 1.00 0.00 O ATOM 0 H GLU A 64 -0.492 7.586 -6.908 1.00 0.00 H new ATOM 0 HA GLU A 64 2.323 6.924 -6.285 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.223 7.796 -8.480 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.976 8.956 -8.070 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.533 10.341 -6.862 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.779 9.111 -6.927 1.00 0.00 H new ATOM 902 N ILE A 65 2.555 8.513 -4.401 1.00 0.00 N ATOM 903 CA ILE A 65 2.648 9.341 -3.205 1.00 0.00 C ATOM 904 C ILE A 65 3.689 10.442 -3.378 1.00 0.00 C ATOM 905 O ILE A 65 4.727 10.237 -4.006 1.00 0.00 O ATOM 906 CB ILE A 65 3.006 8.501 -1.964 1.00 0.00 C ATOM 907 CG1 ILE A 65 1.796 7.682 -1.510 1.00 0.00 C ATOM 908 CG2 ILE A 65 3.497 9.400 -0.840 1.00 0.00 C ATOM 909 CD1 ILE A 65 2.157 6.520 -0.612 1.00 0.00 C ATOM 0 H ILE A 65 3.341 7.877 -4.536 1.00 0.00 H new ATOM 0 HA ILE A 65 1.667 9.792 -3.057 1.00 0.00 H new ATOM 0 HB ILE A 65 3.809 7.812 -2.228 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.101 8.336 -0.983 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.273 7.303 -2.388 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.746 8.792 0.030 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.383 9.943 -1.169 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.714 10.110 -0.574 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.251 5.984 -0.329 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.827 5.844 -1.143 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.653 6.893 0.284 1.00 0.00 H new ATOM 921 N LYS A 66 3.405 11.610 -2.813 1.00 0.00 N ATOM 922 CA LYS A 66 4.317 12.745 -2.901 1.00 0.00 C ATOM 923 C LYS A 66 4.343 13.525 -1.590 1.00 0.00 C ATOM 924 O LYS A 66 3.565 13.250 -0.677 1.00 0.00 O ATOM 925 CB LYS A 66 3.905 13.669 -4.048 1.00 0.00 C ATOM 926 CG LYS A 66 4.188 13.093 -5.425 1.00 0.00 C ATOM 927 CD LYS A 66 4.177 14.173 -6.494 1.00 0.00 C ATOM 928 CE LYS A 66 2.787 14.364 -7.080 1.00 0.00 C ATOM 929 NZ LYS A 66 2.739 15.511 -8.029 1.00 0.00 N ATOM 0 H LYS A 66 2.550 11.796 -2.289 1.00 0.00 H new ATOM 0 HA LYS A 66 5.318 12.360 -3.095 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.840 13.884 -3.965 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.431 14.618 -3.945 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.157 12.595 -5.420 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.442 12.336 -5.664 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.525 15.113 -6.066 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.874 13.907 -7.288 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.482 13.453 -7.595 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.072 14.529 -6.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.775 15.609 -8.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 3.006 16.384 -7.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.402 15.342 -8.812 1.00 0.00 H new ATOM 943 N GLY A 67 5.243 14.500 -1.504 1.00 0.00 N ATOM 944 CA GLY A 67 5.353 15.304 -0.301 1.00 0.00 C ATOM 945 C GLY A 67 6.052 14.571 0.826 1.00 0.00 C ATOM 946 O GLY A 67 5.683 14.712 1.993 1.00 0.00 O ATOM 0 H GLY A 67 5.898 14.747 -2.246 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.899 16.219 -0.529 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.356 15.601 0.026 1.00 0.00 H new ATOM 950 N LEU A 68 7.065 13.785 0.478 1.00 0.00 N ATOM 951 CA LEU A 68 7.818 13.025 1.470 1.00 0.00 C ATOM 952 C LEU A 68 9.138 13.715 1.798 1.00 0.00 C ATOM 953 O LEU A 68 9.429 14.796 1.286 1.00 0.00 O ATOM 954 CB LEU A 68 8.085 11.607 0.960 1.00 0.00 C ATOM 955 CG LEU A 68 6.869 10.846 0.428 1.00 0.00 C ATOM 956 CD1 LEU A 68 7.303 9.555 -0.249 1.00 0.00 C ATOM 957 CD2 LEU A 68 5.887 10.556 1.553 1.00 0.00 C ATOM 0 H LEU A 68 7.384 13.657 -0.482 1.00 0.00 H new ATOM 0 HA LEU A 68 7.221 12.972 2.380 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.830 11.662 0.166 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.525 11.027 1.771 1.00 0.00 H new ATOM 0 HG LEU A 68 6.368 11.471 -0.312 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.425 9.027 -0.621 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.968 9.786 -1.081 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.827 8.926 0.470 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.029 10.014 1.156 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.376 9.951 2.316 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.551 11.495 1.994 1.00 0.00 H new ATOM 969 N SER A 69 9.933 13.083 2.655 1.00 0.00 N ATOM 970 CA SER A 69 11.222 13.637 3.053 1.00 0.00 C ATOM 971 C SER A 69 12.352 12.660 2.745 1.00 0.00 C ATOM 972 O SER A 69 12.199 11.442 2.843 1.00 0.00 O ATOM 973 CB SER A 69 11.216 13.974 4.546 1.00 0.00 C ATOM 974 OG SER A 69 10.284 15.002 4.834 1.00 0.00 O ATOM 0 H SER A 69 9.707 12.187 3.087 1.00 0.00 H new ATOM 0 HA SER A 69 11.390 14.550 2.482 1.00 0.00 H new ATOM 0 HB2 SER A 69 10.968 13.082 5.122 1.00 0.00 H new ATOM 0 HB3 SER A 69 12.213 14.286 4.855 1.00 0.00 H new ATOM 0 HG SER A 69 10.299 15.197 5.794 1.00 0.00 H new ATOM 980 N PRO A 70 13.517 13.206 2.364 1.00 0.00 N ATOM 981 CA PRO A 70 14.698 12.401 2.033 1.00 0.00 C ATOM 982 C PRO A 70 15.302 11.729 3.261 1.00 0.00 C ATOM 983 O PRO A 70 15.079 12.161 4.391 1.00 0.00 O ATOM 984 CB PRO A 70 15.673 13.427 1.450 1.00 0.00 C ATOM 985 CG PRO A 70 15.263 14.725 2.053 1.00 0.00 C ATOM 986 CD PRO A 70 13.771 14.649 2.226 1.00 0.00 C ATOM 0 HA PRO A 70 14.459 11.585 1.351 1.00 0.00 H new ATOM 0 HB2 PRO A 70 16.704 13.181 1.703 1.00 0.00 H new ATOM 0 HB3 PRO A 70 15.611 13.459 0.362 1.00 0.00 H new ATOM 0 HG2 PRO A 70 15.759 14.884 3.010 1.00 0.00 H new ATOM 0 HG3 PRO A 70 15.539 15.559 1.408 1.00 0.00 H new ATOM 0 HD2 PRO A 70 13.440 15.201 3.105 1.00 0.00 H new ATOM 0 HD3 PRO A 70 13.245 15.069 1.369 1.00 0.00 H new ATOM 994 N ALA A 71 16.070 10.669 3.030 1.00 0.00 N ATOM 995 CA ALA A 71 16.709 9.937 4.118 1.00 0.00 C ATOM 996 C ALA A 71 15.725 9.670 5.251 1.00 0.00 C ATOM 997 O ALA A 71 16.025 9.918 6.420 1.00 0.00 O ATOM 998 CB ALA A 71 17.915 10.707 4.634 1.00 0.00 C ATOM 0 H ALA A 71 16.265 10.298 2.100 1.00 0.00 H new ATOM 0 HA ALA A 71 17.045 8.976 3.729 1.00 0.00 H new ATOM 0 HB1 ALA A 71 18.383 10.150 5.446 1.00 0.00 H new ATOM 0 HB2 ALA A 71 18.634 10.842 3.826 1.00 0.00 H new ATOM 0 HB3 ALA A 71 17.594 11.682 5.001 1.00 0.00 H new ATOM 1004 N THR A 72 14.548 9.162 4.901 1.00 0.00 N ATOM 1005 CA THR A 72 13.519 8.861 5.888 1.00 0.00 C ATOM 1006 C THR A 72 12.827 7.539 5.577 1.00 0.00 C ATOM 1007 O THR A 72 12.383 7.308 4.452 1.00 0.00 O ATOM 1008 CB THR A 72 12.461 9.978 5.955 1.00 0.00 C ATOM 1009 OG1 THR A 72 13.085 11.224 6.286 1.00 0.00 O ATOM 1010 CG2 THR A 72 11.392 9.651 6.985 1.00 0.00 C ATOM 0 H THR A 72 14.283 8.950 3.939 1.00 0.00 H new ATOM 0 HA THR A 72 14.020 8.787 6.853 1.00 0.00 H new ATOM 0 HB THR A 72 11.987 10.058 4.977 1.00 0.00 H new ATOM 0 HG1 THR A 72 13.716 11.472 5.578 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.656 10.455 7.014 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.899 8.717 6.714 1.00 0.00 H new ATOM 0 HG23 THR A 72 11.853 9.546 7.967 1.00 0.00 H new ATOM 1018 N THR A 73 12.737 6.673 6.582 1.00 0.00 N ATOM 1019 CA THR A 73 12.099 5.373 6.416 1.00 0.00 C ATOM 1020 C THR A 73 10.583 5.510 6.346 1.00 0.00 C ATOM 1021 O THR A 73 10.000 6.393 6.976 1.00 0.00 O ATOM 1022 CB THR A 73 12.465 4.416 7.566 1.00 0.00 C ATOM 1023 OG1 THR A 73 13.878 4.444 7.796 1.00 0.00 O ATOM 1024 CG2 THR A 73 12.025 2.995 7.250 1.00 0.00 C ATOM 0 H THR A 73 13.098 6.849 7.520 1.00 0.00 H new ATOM 0 HA THR A 73 12.467 4.958 5.478 1.00 0.00 H new ATOM 0 HB THR A 73 11.945 4.748 8.464 1.00 0.00 H new ATOM 0 HG1 THR A 73 14.102 3.834 8.530 1.00 0.00 H new ATOM 0 HG21 THR A 73 12.295 2.338 8.077 1.00 0.00 H new ATOM 0 HG22 THR A 73 10.945 2.972 7.106 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.520 2.655 6.340 1.00 0.00 H new ATOM 1032 N TYR A 74 9.949 4.632 5.577 1.00 0.00 N ATOM 1033 CA TYR A 74 8.500 4.656 5.424 1.00 0.00 C ATOM 1034 C TYR A 74 7.943 3.243 5.280 1.00 0.00 C ATOM 1035 O TYR A 74 8.675 2.305 4.961 1.00 0.00 O ATOM 1036 CB TYR A 74 8.108 5.496 4.208 1.00 0.00 C ATOM 1037 CG TYR A 74 8.373 6.975 4.382 1.00 0.00 C ATOM 1038 CD1 TYR A 74 7.475 7.786 5.064 1.00 0.00 C ATOM 1039 CD2 TYR A 74 9.522 7.560 3.865 1.00 0.00 C ATOM 1040 CE1 TYR A 74 7.713 9.138 5.226 1.00 0.00 C ATOM 1041 CE2 TYR A 74 9.769 8.911 4.023 1.00 0.00 C ATOM 1042 CZ TYR A 74 8.862 9.694 4.704 1.00 0.00 C ATOM 1043 OH TYR A 74 9.104 11.040 4.863 1.00 0.00 O ATOM 0 H TYR A 74 10.416 3.895 5.050 1.00 0.00 H new ATOM 0 HA TYR A 74 8.074 5.106 6.321 1.00 0.00 H new ATOM 0 HB2 TYR A 74 8.657 5.137 3.337 1.00 0.00 H new ATOM 0 HB3 TYR A 74 7.048 5.347 4.001 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.575 7.353 5.475 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.234 6.949 3.331 1.00 0.00 H new ATOM 0 HE1 TYR A 74 7.004 9.755 5.758 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.667 9.350 3.615 1.00 0.00 H new ATOM 0 HH TYR A 74 8.695 11.350 5.698 1.00 0.00 H new ATOM 1053 N TYR A 75 6.644 3.099 5.516 1.00 0.00 N ATOM 1054 CA TYR A 75 5.988 1.801 5.416 1.00 0.00 C ATOM 1055 C TYR A 75 4.628 1.929 4.735 1.00 0.00 C ATOM 1056 O TYR A 75 3.993 2.983 4.786 1.00 0.00 O ATOM 1057 CB TYR A 75 5.819 1.181 6.803 1.00 0.00 C ATOM 1058 CG TYR A 75 7.113 1.072 7.579 1.00 0.00 C ATOM 1059 CD1 TYR A 75 7.577 2.133 8.346 1.00 0.00 C ATOM 1060 CD2 TYR A 75 7.872 -0.091 7.543 1.00 0.00 C ATOM 1061 CE1 TYR A 75 8.759 2.039 9.056 1.00 0.00 C ATOM 1062 CE2 TYR A 75 9.054 -0.195 8.251 1.00 0.00 C ATOM 1063 CZ TYR A 75 9.493 0.873 9.004 1.00 0.00 C ATOM 1064 OH TYR A 75 10.671 0.774 9.710 1.00 0.00 O ATOM 0 H TYR A 75 6.024 3.866 5.778 1.00 0.00 H new ATOM 0 HA TYR A 75 6.619 1.151 4.810 1.00 0.00 H new ATOM 0 HB2 TYR A 75 5.111 1.780 7.376 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.384 0.187 6.697 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.004 3.048 8.388 1.00 0.00 H new ATOM 0 HD2 TYR A 75 7.532 -0.928 6.951 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.105 2.873 9.648 1.00 0.00 H new ATOM 0 HE2 TYR A 75 9.630 -1.108 8.215 1.00 0.00 H new ATOM 0 HH TYR A 75 11.064 -0.112 9.567 1.00 0.00 H new ATOM 1074 N CYS A 76 4.188 0.849 4.099 1.00 0.00 N ATOM 1075 CA CYS A 76 2.904 0.838 3.408 1.00 0.00 C ATOM 1076 C CYS A 76 2.266 -0.546 3.465 1.00 0.00 C ATOM 1077 O CYS A 76 2.948 -1.560 3.314 1.00 0.00 O ATOM 1078 CB CYS A 76 3.081 1.273 1.953 1.00 0.00 C ATOM 1079 SG CYS A 76 3.504 -0.077 0.825 1.00 0.00 S ATOM 0 H CYS A 76 4.702 -0.031 4.048 1.00 0.00 H new ATOM 0 HA CYS A 76 2.242 1.542 3.912 1.00 0.00 H new ATOM 0 HB2 CYS A 76 2.159 1.743 1.611 1.00 0.00 H new ATOM 0 HB3 CYS A 76 3.862 2.031 1.904 1.00 0.00 H new ATOM 0 HG CYS A 76 3.595 -1.188 1.493 1.00 0.00 H new ATOM 1085 N ARG A 77 0.957 -0.580 3.683 1.00 0.00 N ATOM 1086 CA ARG A 77 0.227 -1.840 3.762 1.00 0.00 C ATOM 1087 C ARG A 77 -1.098 -1.751 3.012 1.00 0.00 C ATOM 1088 O ARG A 77 -1.876 -0.819 3.215 1.00 0.00 O ATOM 1089 CB ARG A 77 -0.026 -2.216 5.224 1.00 0.00 C ATOM 1090 CG ARG A 77 -0.684 -1.110 6.032 1.00 0.00 C ATOM 1091 CD ARG A 77 -0.812 -1.492 7.498 1.00 0.00 C ATOM 1092 NE ARG A 77 -1.755 -0.631 8.208 1.00 0.00 N ATOM 1093 CZ ARG A 77 -2.152 -0.849 9.456 1.00 0.00 C ATOM 1094 NH1 ARG A 77 -1.691 -1.894 10.130 1.00 0.00 N ATOM 1095 NH2 ARG A 77 -3.013 -0.021 10.034 1.00 0.00 N ATOM 0 H ARG A 77 0.379 0.251 3.808 1.00 0.00 H new ATOM 0 HA ARG A 77 0.837 -2.613 3.294 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.657 -3.104 5.258 1.00 0.00 H new ATOM 0 HB3 ARG A 77 0.922 -2.481 5.692 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -0.098 -0.195 5.943 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -1.672 -0.897 5.623 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -1.139 -2.529 7.575 1.00 0.00 H new ATOM 0 HD3 ARG A 77 0.166 -1.430 7.975 1.00 0.00 H new ATOM 0 HE ARG A 77 -2.129 0.182 7.718 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -1.029 -2.533 9.690 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -1.998 -2.058 11.089 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -3.370 0.784 9.519 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -3.317 -0.189 10.993 1.00 0.00 H new ATOM 1109 N VAL A 78 -1.347 -2.725 2.144 1.00 0.00 N ATOM 1110 CA VAL A 78 -2.578 -2.757 1.362 1.00 0.00 C ATOM 1111 C VAL A 78 -3.452 -3.941 1.762 1.00 0.00 C ATOM 1112 O VAL A 78 -2.968 -5.065 1.893 1.00 0.00 O ATOM 1113 CB VAL A 78 -2.283 -2.836 -0.147 1.00 0.00 C ATOM 1114 CG1 VAL A 78 -1.441 -4.063 -0.464 1.00 0.00 C ATOM 1115 CG2 VAL A 78 -3.580 -2.851 -0.943 1.00 0.00 C ATOM 0 H VAL A 78 -0.713 -3.503 1.964 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.110 -1.829 1.571 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.716 -1.951 -0.435 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.243 -4.102 -1.535 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.497 -4.006 0.078 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.979 -4.961 -0.162 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.353 -2.907 -2.008 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.175 -3.717 -0.653 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.142 -1.940 -0.739 1.00 0.00 H new ATOM 1125 N GLN A 79 -4.741 -3.681 1.953 1.00 0.00 N ATOM 1126 CA GLN A 79 -5.683 -4.725 2.337 1.00 0.00 C ATOM 1127 C GLN A 79 -6.854 -4.787 1.363 1.00 0.00 C ATOM 1128 O GLN A 79 -7.234 -3.779 0.769 1.00 0.00 O ATOM 1129 CB GLN A 79 -6.197 -4.481 3.757 1.00 0.00 C ATOM 1130 CG GLN A 79 -7.173 -3.319 3.859 1.00 0.00 C ATOM 1131 CD GLN A 79 -8.016 -3.375 5.117 1.00 0.00 C ATOM 1132 OE1 GLN A 79 -8.946 -4.322 5.165 1.00 0.00 O flip ATOM 1133 NE2 GLN A 79 -7.835 -2.576 6.035 1.00 0.00 N flip ATOM 0 H GLN A 79 -5.157 -2.756 1.848 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.159 -5.680 2.307 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.684 -5.387 4.119 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -5.348 -4.291 4.414 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.619 -2.381 3.839 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -7.827 -3.321 2.987 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -7.109 -1.864 5.956 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.411 -2.625 6.875 1.00 0.00 H new ATOM 1142 N ALA A 80 -7.422 -5.978 1.204 1.00 0.00 N ATOM 1143 CA ALA A 80 -8.552 -6.172 0.303 1.00 0.00 C ATOM 1144 C ALA A 80 -9.862 -6.268 1.078 1.00 0.00 C ATOM 1145 O ALA A 80 -10.015 -7.118 1.954 1.00 0.00 O ATOM 1146 CB ALA A 80 -8.344 -7.419 -0.543 1.00 0.00 C ATOM 0 H ALA A 80 -7.118 -6.823 1.687 1.00 0.00 H new ATOM 0 HA ALA A 80 -8.613 -5.306 -0.356 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -9.195 -7.552 -1.211 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.433 -7.311 -1.132 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.254 -8.289 0.107 1.00 0.00 H new ATOM 1152 N LEU A 81 -10.802 -5.390 0.749 1.00 0.00 N ATOM 1153 CA LEU A 81 -12.101 -5.375 1.414 1.00 0.00 C ATOM 1154 C LEU A 81 -13.145 -6.117 0.588 1.00 0.00 C ATOM 1155 O LEU A 81 -13.282 -5.884 -0.613 1.00 0.00 O ATOM 1156 CB LEU A 81 -12.555 -3.935 1.656 1.00 0.00 C ATOM 1157 CG LEU A 81 -11.870 -3.200 2.810 1.00 0.00 C ATOM 1158 CD1 LEU A 81 -10.605 -2.510 2.326 1.00 0.00 C ATOM 1159 CD2 LEU A 81 -12.822 -2.193 3.439 1.00 0.00 C ATOM 0 H LEU A 81 -10.690 -4.679 0.026 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.996 -5.883 2.373 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.392 -3.365 0.741 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -13.629 -3.940 1.841 1.00 0.00 H new ATOM 0 HG LEU A 81 -11.592 -3.931 3.569 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.131 -1.992 3.160 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.917 -3.253 1.922 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.858 -1.789 1.549 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -12.319 -1.679 4.258 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -13.130 -1.465 2.688 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -13.700 -2.713 3.822 1.00 0.00 H new ATOM 1171 N SER A 82 -13.882 -7.012 1.238 1.00 0.00 N ATOM 1172 CA SER A 82 -14.913 -7.791 0.564 1.00 0.00 C ATOM 1173 C SER A 82 -16.299 -7.431 1.092 1.00 0.00 C ATOM 1174 O SER A 82 -16.448 -6.521 1.908 1.00 0.00 O ATOM 1175 CB SER A 82 -14.657 -9.288 0.749 1.00 0.00 C ATOM 1176 OG SER A 82 -14.954 -9.695 2.073 1.00 0.00 O ATOM 0 H SER A 82 -13.784 -7.216 2.233 1.00 0.00 H new ATOM 0 HA SER A 82 -14.875 -7.553 -0.499 1.00 0.00 H new ATOM 0 HB2 SER A 82 -15.267 -9.854 0.045 1.00 0.00 H new ATOM 0 HB3 SER A 82 -13.615 -9.513 0.521 1.00 0.00 H new ATOM 0 HG SER A 82 -14.332 -9.263 2.695 1.00 0.00 H new ATOM 1182 N VAL A 83 -17.311 -8.154 0.623 1.00 0.00 N ATOM 1183 CA VAL A 83 -18.684 -7.913 1.047 1.00 0.00 C ATOM 1184 C VAL A 83 -19.040 -8.762 2.263 1.00 0.00 C ATOM 1185 O VAL A 83 -20.098 -8.587 2.869 1.00 0.00 O ATOM 1186 CB VAL A 83 -19.684 -8.213 -0.085 1.00 0.00 C ATOM 1187 CG1 VAL A 83 -19.583 -7.162 -1.179 1.00 0.00 C ATOM 1188 CG2 VAL A 83 -19.445 -9.606 -0.650 1.00 0.00 C ATOM 0 H VAL A 83 -17.205 -8.912 -0.051 1.00 0.00 H new ATOM 0 HA VAL A 83 -18.753 -6.858 1.310 1.00 0.00 H new ATOM 0 HB VAL A 83 -20.693 -8.179 0.326 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -20.297 -7.391 -1.970 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -19.806 -6.180 -0.762 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -18.574 -7.161 -1.590 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -20.160 -9.802 -1.449 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -18.432 -9.669 -1.046 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -19.572 -10.346 0.140 1.00 0.00 H new ATOM 1198 N VAL A 84 -18.151 -9.684 2.615 1.00 0.00 N ATOM 1199 CA VAL A 84 -18.369 -10.561 3.759 1.00 0.00 C ATOM 1200 C VAL A 84 -17.497 -10.150 4.941 1.00 0.00 C ATOM 1201 O VAL A 84 -17.746 -10.550 6.077 1.00 0.00 O ATOM 1202 CB VAL A 84 -18.075 -12.031 3.405 1.00 0.00 C ATOM 1203 CG1 VAL A 84 -16.587 -12.322 3.530 1.00 0.00 C ATOM 1204 CG2 VAL A 84 -18.885 -12.965 4.290 1.00 0.00 C ATOM 0 H VAL A 84 -17.271 -9.843 2.124 1.00 0.00 H new ATOM 0 HA VAL A 84 -19.419 -10.465 4.035 1.00 0.00 H new ATOM 0 HB VAL A 84 -18.370 -12.203 2.370 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -16.398 -13.365 3.276 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -16.032 -11.676 2.850 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -16.264 -12.133 4.554 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -18.664 -13.999 4.026 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -18.624 -12.794 5.334 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -19.948 -12.772 4.145 1.00 0.00 H new ATOM 1214 N GLY A 85 -16.476 -9.346 4.664 1.00 0.00 N ATOM 1215 CA GLY A 85 -15.583 -8.893 5.714 1.00 0.00 C ATOM 1216 C GLY A 85 -14.210 -8.523 5.189 1.00 0.00 C ATOM 1217 O GLY A 85 -13.718 -9.129 4.238 1.00 0.00 O ATOM 0 H GLY A 85 -16.251 -9.000 3.731 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -16.023 -8.029 6.213 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -15.482 -9.677 6.464 1.00 0.00 H new ATOM 1221 N ALA A 86 -13.591 -7.524 5.809 1.00 0.00 N ATOM 1222 CA ALA A 86 -12.266 -7.074 5.398 1.00 0.00 C ATOM 1223 C ALA A 86 -11.219 -8.156 5.641 1.00 0.00 C ATOM 1224 O ALA A 86 -11.168 -8.754 6.715 1.00 0.00 O ATOM 1225 CB ALA A 86 -11.889 -5.798 6.136 1.00 0.00 C ATOM 0 H ALA A 86 -13.985 -7.011 6.597 1.00 0.00 H new ATOM 0 HA ALA A 86 -12.296 -6.867 4.328 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -10.898 -5.474 5.819 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -12.616 -5.018 5.909 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -11.883 -5.987 7.210 1.00 0.00 H new ATOM 1231 N GLY A 87 -10.387 -8.404 4.634 1.00 0.00 N ATOM 1232 CA GLY A 87 -9.353 -9.415 4.759 1.00 0.00 C ATOM 1233 C GLY A 87 -8.120 -8.899 5.474 1.00 0.00 C ATOM 1234 O GLY A 87 -8.042 -7.733 5.859 1.00 0.00 O ATOM 0 H GLY A 87 -10.410 -7.923 3.735 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -9.751 -10.272 5.301 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -9.073 -9.768 3.767 1.00 0.00 H new ATOM 1238 N PRO A 88 -7.127 -9.781 5.662 1.00 0.00 N ATOM 1239 CA PRO A 88 -5.874 -9.431 6.338 1.00 0.00 C ATOM 1240 C PRO A 88 -5.011 -8.489 5.507 1.00 0.00 C ATOM 1241 O PRO A 88 -5.232 -8.325 4.306 1.00 0.00 O ATOM 1242 CB PRO A 88 -5.177 -10.782 6.513 1.00 0.00 C ATOM 1243 CG PRO A 88 -5.730 -11.638 5.427 1.00 0.00 C ATOM 1244 CD PRO A 88 -7.151 -11.188 5.229 1.00 0.00 C ATOM 0 HA PRO A 88 -6.050 -8.902 7.275 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -4.095 -10.683 6.427 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -5.381 -11.208 7.495 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -5.153 -11.525 4.509 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -5.689 -12.692 5.702 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -7.461 -11.283 4.188 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.846 -11.780 5.824 1.00 0.00 H new ATOM 1252 N PHE A 89 -4.026 -7.872 6.151 1.00 0.00 N ATOM 1253 CA PHE A 89 -3.129 -6.945 5.471 1.00 0.00 C ATOM 1254 C PHE A 89 -1.940 -7.684 4.866 1.00 0.00 C ATOM 1255 O PHE A 89 -1.691 -8.848 5.185 1.00 0.00 O ATOM 1256 CB PHE A 89 -2.637 -5.872 6.444 1.00 0.00 C ATOM 1257 CG PHE A 89 -3.555 -4.687 6.545 1.00 0.00 C ATOM 1258 CD1 PHE A 89 -3.418 -3.613 5.681 1.00 0.00 C ATOM 1259 CD2 PHE A 89 -4.555 -4.649 7.504 1.00 0.00 C ATOM 1260 CE1 PHE A 89 -4.261 -2.522 5.773 1.00 0.00 C ATOM 1261 CE2 PHE A 89 -5.400 -3.560 7.600 1.00 0.00 C ATOM 1262 CZ PHE A 89 -5.254 -2.495 6.733 1.00 0.00 C ATOM 0 H PHE A 89 -3.829 -7.997 7.144 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.685 -6.466 4.665 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.520 -6.316 7.433 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.651 -5.532 6.128 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.644 -3.628 4.928 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.675 -5.480 8.184 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.144 -1.690 5.094 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -6.174 -3.542 8.353 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.914 -1.643 6.805 1.00 0.00 H new ATOM 1272 N SER A 90 -1.208 -7.001 3.992 1.00 0.00 N ATOM 1273 CA SER A 90 -0.047 -7.594 3.338 1.00 0.00 C ATOM 1274 C SER A 90 1.225 -7.315 4.135 1.00 0.00 C ATOM 1275 O SER A 90 1.239 -6.465 5.023 1.00 0.00 O ATOM 1276 CB SER A 90 0.098 -7.049 1.917 1.00 0.00 C ATOM 1277 OG SER A 90 0.329 -5.650 1.928 1.00 0.00 O ATOM 0 H SER A 90 -1.398 -6.036 3.720 1.00 0.00 H new ATOM 0 HA SER A 90 -0.197 -8.673 3.291 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.923 -7.553 1.413 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.805 -7.267 1.347 1.00 0.00 H new ATOM 0 HG SER A 90 1.251 -5.468 1.649 1.00 0.00 H new ATOM 1283 N GLU A 91 2.290 -8.041 3.809 1.00 0.00 N ATOM 1284 CA GLU A 91 3.567 -7.873 4.493 1.00 0.00 C ATOM 1285 C GLU A 91 4.054 -6.431 4.390 1.00 0.00 C ATOM 1286 O GLU A 91 4.362 -5.944 3.302 1.00 0.00 O ATOM 1287 CB GLU A 91 4.614 -8.820 3.905 1.00 0.00 C ATOM 1288 CG GLU A 91 4.259 -10.290 4.056 1.00 0.00 C ATOM 1289 CD GLU A 91 5.117 -11.190 3.187 1.00 0.00 C ATOM 1290 OE1 GLU A 91 4.774 -11.368 1.999 1.00 0.00 O ATOM 1291 OE2 GLU A 91 6.129 -11.715 3.693 1.00 0.00 O ATOM 0 H GLU A 91 2.294 -8.750 3.076 1.00 0.00 H new ATOM 0 HA GLU A 91 3.420 -8.114 5.546 1.00 0.00 H new ATOM 0 HB2 GLU A 91 4.743 -8.593 2.847 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.572 -8.635 4.390 1.00 0.00 H new ATOM 0 HG2 GLU A 91 4.374 -10.582 5.100 1.00 0.00 H new ATOM 0 HG3 GLU A 91 3.210 -10.435 3.798 1.00 0.00 H new ATOM 1298 N VAL A 92 4.120 -5.752 5.531 1.00 0.00 N ATOM 1299 CA VAL A 92 4.569 -4.365 5.571 1.00 0.00 C ATOM 1300 C VAL A 92 5.852 -4.181 4.767 1.00 0.00 C ATOM 1301 O VAL A 92 6.898 -4.731 5.112 1.00 0.00 O ATOM 1302 CB VAL A 92 4.811 -3.895 7.017 1.00 0.00 C ATOM 1303 CG1 VAL A 92 5.368 -2.480 7.033 1.00 0.00 C ATOM 1304 CG2 VAL A 92 3.526 -3.980 7.826 1.00 0.00 C ATOM 0 H VAL A 92 3.868 -6.140 6.440 1.00 0.00 H new ATOM 0 HA VAL A 92 3.776 -3.762 5.129 1.00 0.00 H new ATOM 0 HB VAL A 92 5.547 -4.554 7.476 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.532 -2.165 8.064 1.00 0.00 H new ATOM 0 HG12 VAL A 92 6.313 -2.455 6.491 1.00 0.00 H new ATOM 0 HG13 VAL A 92 4.658 -1.804 6.556 1.00 0.00 H new ATOM 0 HG21 VAL A 92 3.715 -3.644 8.846 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.766 -3.345 7.370 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.174 -5.012 7.843 1.00 0.00 H new ATOM 1314 N VAL A 93 5.764 -3.403 3.694 1.00 0.00 N ATOM 1315 CA VAL A 93 6.917 -3.143 2.840 1.00 0.00 C ATOM 1316 C VAL A 93 7.652 -1.881 3.278 1.00 0.00 C ATOM 1317 O VAL A 93 7.158 -0.768 3.095 1.00 0.00 O ATOM 1318 CB VAL A 93 6.503 -2.997 1.364 1.00 0.00 C ATOM 1319 CG1 VAL A 93 7.718 -2.715 0.494 1.00 0.00 C ATOM 1320 CG2 VAL A 93 5.776 -4.247 0.889 1.00 0.00 C ATOM 0 H VAL A 93 4.905 -2.941 3.395 1.00 0.00 H new ATOM 0 HA VAL A 93 7.582 -4.001 2.939 1.00 0.00 H new ATOM 0 HB VAL A 93 5.820 -2.152 1.278 1.00 0.00 H new ATOM 0 HG11 VAL A 93 7.406 -2.615 -0.546 1.00 0.00 H new ATOM 0 HG12 VAL A 93 8.193 -1.790 0.821 1.00 0.00 H new ATOM 0 HG13 VAL A 93 8.427 -3.538 0.582 1.00 0.00 H new ATOM 0 HG21 VAL A 93 5.491 -4.127 -0.156 1.00 0.00 H new ATOM 0 HG22 VAL A 93 6.434 -5.110 0.989 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.882 -4.400 1.494 1.00 0.00 H new ATOM 1330 N ALA A 94 8.835 -2.061 3.856 1.00 0.00 N ATOM 1331 CA ALA A 94 9.639 -0.937 4.317 1.00 0.00 C ATOM 1332 C ALA A 94 10.462 -0.345 3.178 1.00 0.00 C ATOM 1333 O ALA A 94 10.896 -1.064 2.276 1.00 0.00 O ATOM 1334 CB ALA A 94 10.548 -1.370 5.458 1.00 0.00 C ATOM 0 H ALA A 94 9.258 -2.975 4.016 1.00 0.00 H new ATOM 0 HA ALA A 94 8.962 -0.164 4.680 1.00 0.00 H new ATOM 0 HB1 ALA A 94 11.143 -0.520 5.792 1.00 0.00 H new ATOM 0 HB2 ALA A 94 9.942 -1.737 6.286 1.00 0.00 H new ATOM 0 HB3 ALA A 94 11.211 -2.164 5.114 1.00 0.00 H new ATOM 1340 N CYS A 95 10.674 0.965 3.224 1.00 0.00 N ATOM 1341 CA CYS A 95 11.444 1.652 2.194 1.00 0.00 C ATOM 1342 C CYS A 95 12.004 2.969 2.722 1.00 0.00 C ATOM 1343 O CYS A 95 11.359 3.658 3.512 1.00 0.00 O ATOM 1344 CB CYS A 95 10.573 1.910 0.963 1.00 0.00 C ATOM 1345 SG CYS A 95 9.286 3.155 1.218 1.00 0.00 S ATOM 0 H CYS A 95 10.323 1.573 3.964 1.00 0.00 H new ATOM 0 HA CYS A 95 12.279 1.011 1.911 1.00 0.00 H new ATOM 0 HB2 CYS A 95 11.212 2.227 0.139 1.00 0.00 H new ATOM 0 HB3 CYS A 95 10.103 0.974 0.661 1.00 0.00 H new ATOM 0 HG CYS A 95 8.604 3.305 0.122 1.00 0.00 H new ATOM 1351 N VAL A 96 13.210 3.312 2.280 1.00 0.00 N ATOM 1352 CA VAL A 96 13.858 4.546 2.708 1.00 0.00 C ATOM 1353 C VAL A 96 14.204 5.428 1.513 1.00 0.00 C ATOM 1354 O VAL A 96 14.865 4.986 0.572 1.00 0.00 O ATOM 1355 CB VAL A 96 15.140 4.258 3.509 1.00 0.00 C ATOM 1356 CG1 VAL A 96 15.800 5.557 3.948 1.00 0.00 C ATOM 1357 CG2 VAL A 96 14.833 3.374 4.709 1.00 0.00 C ATOM 0 H VAL A 96 13.758 2.753 1.626 1.00 0.00 H new ATOM 0 HA VAL A 96 13.149 5.070 3.349 1.00 0.00 H new ATOM 0 HB VAL A 96 15.837 3.724 2.863 1.00 0.00 H new ATOM 0 HG11 VAL A 96 16.705 5.333 4.513 1.00 0.00 H new ATOM 0 HG12 VAL A 96 16.058 6.149 3.070 1.00 0.00 H new ATOM 0 HG13 VAL A 96 15.111 6.121 4.576 1.00 0.00 H new ATOM 0 HG21 VAL A 96 15.752 3.181 5.263 1.00 0.00 H new ATOM 0 HG22 VAL A 96 14.117 3.878 5.358 1.00 0.00 H new ATOM 0 HG23 VAL A 96 14.411 2.429 4.366 1.00 0.00 H new ATOM 1367 N THR A 97 13.756 6.678 1.557 1.00 0.00 N ATOM 1368 CA THR A 97 14.019 7.622 0.478 1.00 0.00 C ATOM 1369 C THR A 97 15.482 8.053 0.467 1.00 0.00 C ATOM 1370 O THR A 97 16.143 8.111 1.504 1.00 0.00 O ATOM 1371 CB THR A 97 13.129 8.873 0.598 1.00 0.00 C ATOM 1372 OG1 THR A 97 13.258 9.444 1.905 1.00 0.00 O ATOM 1373 CG2 THR A 97 11.671 8.528 0.332 1.00 0.00 C ATOM 0 H THR A 97 13.209 7.061 2.328 1.00 0.00 H new ATOM 0 HA THR A 97 13.788 7.108 -0.455 1.00 0.00 H new ATOM 0 HB THR A 97 13.457 9.597 -0.148 1.00 0.00 H new ATOM 0 HG1 THR A 97 12.793 10.306 1.933 1.00 0.00 H new ATOM 0 HG21 THR A 97 11.062 9.427 0.423 1.00 0.00 H new ATOM 0 HG22 THR A 97 11.571 8.122 -0.675 1.00 0.00 H new ATOM 0 HG23 THR A 97 11.334 7.787 1.057 1.00 0.00 H new ATOM 1381 N PRO A 98 15.999 8.362 -0.731 1.00 0.00 N ATOM 1382 CA PRO A 98 17.389 8.794 -0.905 1.00 0.00 C ATOM 1383 C PRO A 98 17.641 10.182 -0.328 1.00 0.00 C ATOM 1384 O PRO A 98 16.754 11.034 -0.287 1.00 0.00 O ATOM 1385 CB PRO A 98 17.569 8.805 -2.425 1.00 0.00 C ATOM 1386 CG PRO A 98 16.196 9.005 -2.968 1.00 0.00 C ATOM 1387 CD PRO A 98 15.267 8.315 -2.008 1.00 0.00 C ATOM 0 HA PRO A 98 18.088 8.139 -0.384 1.00 0.00 H new ATOM 0 HB2 PRO A 98 18.239 9.606 -2.738 1.00 0.00 H new ATOM 0 HB3 PRO A 98 18.002 7.870 -2.779 1.00 0.00 H new ATOM 0 HG2 PRO A 98 15.958 10.066 -3.047 1.00 0.00 H new ATOM 0 HG3 PRO A 98 16.107 8.583 -3.969 1.00 0.00 H new ATOM 0 HD2 PRO A 98 14.307 8.827 -1.940 1.00 0.00 H new ATOM 0 HD3 PRO A 98 15.061 7.290 -2.315 1.00 0.00 H new ATOM 1395 N PRO A 99 18.880 10.418 0.130 1.00 0.00 N ATOM 1396 CA PRO A 99 19.278 11.703 0.712 1.00 0.00 C ATOM 1397 C PRO A 99 19.345 12.815 -0.330 1.00 0.00 C ATOM 1398 O PRO A 99 19.891 12.629 -1.418 1.00 0.00 O ATOM 1399 CB PRO A 99 20.671 11.419 1.280 1.00 0.00 C ATOM 1400 CG PRO A 99 21.188 10.283 0.467 1.00 0.00 C ATOM 1401 CD PRO A 99 19.989 9.448 0.112 1.00 0.00 C ATOM 0 HA PRO A 99 18.562 12.053 1.456 1.00 0.00 H new ATOM 0 HB2 PRO A 99 21.318 12.292 1.196 1.00 0.00 H new ATOM 0 HB3 PRO A 99 20.622 11.159 2.337 1.00 0.00 H new ATOM 0 HG2 PRO A 99 21.692 10.643 -0.430 1.00 0.00 H new ATOM 0 HG3 PRO A 99 21.917 9.700 1.030 1.00 0.00 H new ATOM 0 HD2 PRO A 99 20.099 8.982 -0.867 1.00 0.00 H new ATOM 0 HD3 PRO A 99 19.832 8.644 0.831 1.00 0.00 H new ATOM 1409 N SER A 100 18.786 13.972 0.010 1.00 0.00 N ATOM 1410 CA SER A 100 18.779 15.114 -0.897 1.00 0.00 C ATOM 1411 C SER A 100 19.896 16.093 -0.548 1.00 0.00 C ATOM 1412 O SER A 100 19.643 17.190 -0.051 1.00 0.00 O ATOM 1413 CB SER A 100 17.427 15.826 -0.845 1.00 0.00 C ATOM 1414 OG SER A 100 17.493 17.095 -1.471 1.00 0.00 O ATOM 0 H SER A 100 18.332 14.143 0.907 1.00 0.00 H new ATOM 0 HA SER A 100 18.947 14.743 -1.908 1.00 0.00 H new ATOM 0 HB2 SER A 100 16.671 15.214 -1.337 1.00 0.00 H new ATOM 0 HB3 SER A 100 17.115 15.945 0.193 1.00 0.00 H new ATOM 0 HG SER A 100 18.123 17.667 -0.985 1.00 0.00 H new ATOM 1420 N SER A 101 21.134 15.686 -0.810 1.00 0.00 N ATOM 1421 CA SER A 101 22.292 16.524 -0.519 1.00 0.00 C ATOM 1422 C SER A 101 22.670 17.367 -1.734 1.00 0.00 C ATOM 1423 O SER A 101 23.537 16.988 -2.521 1.00 0.00 O ATOM 1424 CB SER A 101 23.480 15.659 -0.094 1.00 0.00 C ATOM 1425 OG SER A 101 24.513 16.453 0.466 1.00 0.00 O ATOM 0 H SER A 101 21.361 14.781 -1.223 1.00 0.00 H new ATOM 0 HA SER A 101 22.029 17.194 0.299 1.00 0.00 H new ATOM 0 HB2 SER A 101 23.152 14.917 0.634 1.00 0.00 H new ATOM 0 HB3 SER A 101 23.863 15.113 -0.956 1.00 0.00 H new ATOM 0 HG SER A 101 25.261 15.878 0.731 1.00 0.00 H new ATOM 1431 N GLY A 102 22.013 18.514 -1.880 1.00 0.00 N ATOM 1432 CA GLY A 102 22.293 19.393 -2.999 1.00 0.00 C ATOM 1433 C GLY A 102 21.063 19.668 -3.842 1.00 0.00 C ATOM 1434 O GLY A 102 19.929 19.534 -3.384 1.00 0.00 O ATOM 0 H GLY A 102 21.291 18.850 -1.242 1.00 0.00 H new ATOM 0 HA2 GLY A 102 22.692 20.336 -2.625 1.00 0.00 H new ATOM 0 HA3 GLY A 102 23.066 18.945 -3.624 1.00 0.00 H new ATOM 1438 N PRO A 103 21.283 20.067 -5.103 1.00 0.00 N ATOM 1439 CA PRO A 103 20.196 20.372 -6.037 1.00 0.00 C ATOM 1440 C PRO A 103 19.428 19.124 -6.461 1.00 0.00 C ATOM 1441 O PRO A 103 19.740 18.015 -6.028 1.00 0.00 O ATOM 1442 CB PRO A 103 20.921 20.987 -7.238 1.00 0.00 C ATOM 1443 CG PRO A 103 22.299 20.424 -7.176 1.00 0.00 C ATOM 1444 CD PRO A 103 22.610 20.249 -5.715 1.00 0.00 C ATOM 0 HA PRO A 103 19.449 21.028 -5.591 1.00 0.00 H new ATOM 0 HB2 PRO A 103 20.428 20.726 -8.174 1.00 0.00 H new ATOM 0 HB3 PRO A 103 20.935 22.075 -7.178 1.00 0.00 H new ATOM 0 HG2 PRO A 103 22.356 19.472 -7.704 1.00 0.00 H new ATOM 0 HG3 PRO A 103 23.016 21.094 -7.650 1.00 0.00 H new ATOM 0 HD2 PRO A 103 23.254 19.387 -5.542 1.00 0.00 H new ATOM 0 HD3 PRO A 103 23.125 21.119 -5.307 1.00 0.00 H new ATOM 1452 N SER A 104 18.422 19.313 -7.310 1.00 0.00 N ATOM 1453 CA SER A 104 17.608 18.204 -7.789 1.00 0.00 C ATOM 1454 C SER A 104 16.953 18.547 -9.124 1.00 0.00 C ATOM 1455 O SER A 104 16.648 19.708 -9.398 1.00 0.00 O ATOM 1456 CB SER A 104 16.535 17.848 -6.758 1.00 0.00 C ATOM 1457 OG SER A 104 15.622 16.899 -7.280 1.00 0.00 O ATOM 0 H SER A 104 18.152 20.225 -7.680 1.00 0.00 H new ATOM 0 HA SER A 104 18.261 17.344 -7.935 1.00 0.00 H new ATOM 0 HB2 SER A 104 17.007 17.448 -5.861 1.00 0.00 H new ATOM 0 HB3 SER A 104 15.998 18.749 -6.461 1.00 0.00 H new ATOM 0 HG SER A 104 14.947 16.687 -6.602 1.00 0.00 H new ATOM 1463 N SER A 105 16.740 17.529 -9.951 1.00 0.00 N ATOM 1464 CA SER A 105 16.124 17.722 -11.259 1.00 0.00 C ATOM 1465 C SER A 105 14.658 17.303 -11.236 1.00 0.00 C ATOM 1466 O SER A 105 14.310 16.247 -10.710 1.00 0.00 O ATOM 1467 CB SER A 105 16.879 16.922 -12.324 1.00 0.00 C ATOM 1468 OG SER A 105 17.382 15.710 -11.789 1.00 0.00 O ATOM 0 H SER A 105 16.985 16.562 -9.739 1.00 0.00 H new ATOM 0 HA SER A 105 16.176 18.782 -11.506 1.00 0.00 H new ATOM 0 HB2 SER A 105 16.214 16.706 -13.160 1.00 0.00 H new ATOM 0 HB3 SER A 105 17.702 17.519 -12.717 1.00 0.00 H new ATOM 0 HG SER A 105 17.859 15.216 -12.489 1.00 0.00 H new ATOM 1474 N GLY A 106 13.801 18.141 -11.813 1.00 0.00 N ATOM 1475 CA GLY A 106 12.381 17.842 -11.848 1.00 0.00 C ATOM 1476 C GLY A 106 11.534 19.075 -12.089 1.00 0.00 C ATOM 1477 O GLY A 106 10.311 19.032 -11.957 1.00 0.00 O ATOM 0 H GLY A 106 14.065 19.021 -12.256 1.00 0.00 H new ATOM 0 HA2 GLY A 106 12.186 17.112 -12.634 1.00 0.00 H new ATOM 0 HA3 GLY A 106 12.087 17.382 -10.905 1.00 0.00 H new TER 1481 GLY A 106