USER MOD reduce.3.24.130724 H: found=0, std=0, add=850, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 845 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 82 SER OG : rot -96:sc= 1.69 USER MOD Set 1.2: A 98 LYS NZ :NH3+ 170:sc= 0.452 (180deg=-0.117) USER MOD Set 2.1: A 29 SER OG : rot 180:sc= 0.261 USER MOD Set 2.2: A 43 LYS NZ :NH3+ -133:sc= 0.283 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -111:sc= 0.456 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0.00652 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 HIS :FLIP no HD1:sc= -0.297 F(o=-0.87,f=-0.3) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc=0.000943 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 79:sc= 0.772 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 ASN : amide:sc= 0.0651! C(o=0.065!,f=-7.3!) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= 0.406 X(o=0.41,f=-0.013) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= -0.386 K(o=-0.39,f=-1.9) USER MOD Single : A 52 SER OG : rot -38:sc= 0.797 USER MOD Single : A 62 GLN : amide:sc= -0.215 X(o=-0.22,f=-0.042) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot -160:sc=0.000659 USER MOD Single : A 68 HIS : no HD1:sc= -1.06 X(o=-1.1,f=-1.2) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -0.0281 K(o=-0.028,f=-8.4!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -1.71 K(o=-1.7,f=-6.2!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot -150:sc= -0.228 USER MOD Single : A 84 SER OG : rot -7:sc= 1.12 USER MOD Single : A 85 SER OG : rot -137:sc= 0.313 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.653 X(o=-0.65,f=-0.65) USER MOD Single : A 91 ASN : amide:sc= 1.75 K(o=1.7,f=-8.7!) USER MOD Single : A 95 CYS SG : rot 180:sc= -0.554 USER MOD Single : A 97 GLN : amide:sc= -1.41 K(o=-1.4,f=-3.3!) USER MOD Single : A 102 MET CE :methyl -168:sc= -2.17! (180deg=-2.54!) USER MOD Single : A 107 SER OG : rot 51:sc= 1.23 USER MOD Single : A 110 SER OG : rot 180:sc= -0.161 USER MOD Single : A 111 SER OG : rot -7:sc= 0.0579 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.745 9.988 3.438 1.00 0.00 N ATOM 2 CA GLY A 1 -10.211 8.840 4.230 1.00 0.00 C ATOM 3 C GLY A 1 -11.664 9.072 4.572 1.00 0.00 C ATOM 4 O GLY A 1 -12.544 8.560 3.879 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.565 9.685 2.460 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.473 10.731 3.442 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.867 10.361 3.851 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.095 7.915 3.666 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.617 8.736 5.138 1.00 0.00 H new ATOM 8 N SER A 2 -11.930 9.940 5.548 1.00 0.00 N ATOM 9 CA SER A 2 -13.138 10.756 5.523 1.00 0.00 C ATOM 10 C SER A 2 -13.179 11.510 4.180 1.00 0.00 C ATOM 11 O SER A 2 -12.126 11.892 3.666 1.00 0.00 O ATOM 12 CB SER A 2 -13.087 11.718 6.719 1.00 0.00 C ATOM 13 OG SER A 2 -14.217 12.563 6.767 1.00 0.00 O ATOM 0 H SER A 2 -11.330 10.094 6.358 1.00 0.00 H new ATOM 0 HA SER A 2 -14.043 10.154 5.605 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.024 11.144 7.643 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.183 12.324 6.658 1.00 0.00 H new ATOM 0 HG SER A 2 -14.148 13.158 7.542 1.00 0.00 H new ATOM 19 N SER A 3 -14.366 11.711 3.605 1.00 0.00 N ATOM 20 CA SER A 3 -14.619 12.621 2.495 1.00 0.00 C ATOM 21 C SER A 3 -16.131 12.807 2.382 1.00 0.00 C ATOM 22 O SER A 3 -16.880 11.839 2.534 1.00 0.00 O ATOM 23 CB SER A 3 -14.062 12.047 1.191 1.00 0.00 C ATOM 24 OG SER A 3 -14.262 12.954 0.129 1.00 0.00 O ATOM 0 H SER A 3 -15.207 11.224 3.914 1.00 0.00 H new ATOM 0 HA SER A 3 -14.127 13.577 2.674 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.998 11.838 1.303 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.551 11.099 0.965 1.00 0.00 H new ATOM 0 HG SER A 3 -13.899 12.574 -0.698 1.00 0.00 H new ATOM 30 N GLY A 4 -16.584 14.026 2.082 1.00 0.00 N ATOM 31 CA GLY A 4 -17.996 14.333 1.888 1.00 0.00 C ATOM 32 C GLY A 4 -18.435 14.109 0.447 1.00 0.00 C ATOM 33 O GLY A 4 -17.603 13.878 -0.433 1.00 0.00 O ATOM 0 H GLY A 4 -15.972 14.834 1.967 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.597 13.711 2.551 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.183 15.370 2.167 1.00 0.00 H new ATOM 37 N SER A 5 -19.742 14.225 0.209 1.00 0.00 N ATOM 38 CA SER A 5 -20.374 14.036 -1.089 1.00 0.00 C ATOM 39 C SER A 5 -19.810 14.959 -2.169 1.00 0.00 C ATOM 40 O SER A 5 -19.580 14.500 -3.283 1.00 0.00 O ATOM 41 CB SER A 5 -21.887 14.243 -0.945 1.00 0.00 C ATOM 42 OG SER A 5 -22.216 15.394 -0.177 1.00 0.00 O ATOM 0 H SER A 5 -20.409 14.462 0.943 1.00 0.00 H new ATOM 0 HA SER A 5 -20.159 13.019 -1.416 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.332 14.334 -1.936 1.00 0.00 H new ATOM 0 HB3 SER A 5 -22.327 13.362 -0.477 1.00 0.00 H new ATOM 0 HG SER A 5 -23.190 15.480 -0.118 1.00 0.00 H new ATOM 48 N SER A 6 -19.632 16.245 -1.845 1.00 0.00 N ATOM 49 CA SER A 6 -19.236 17.321 -2.753 1.00 0.00 C ATOM 50 C SER A 6 -20.037 17.403 -4.065 1.00 0.00 C ATOM 51 O SER A 6 -19.598 18.056 -5.012 1.00 0.00 O ATOM 52 CB SER A 6 -17.712 17.295 -2.958 1.00 0.00 C ATOM 53 OG SER A 6 -17.156 18.448 -2.344 1.00 0.00 O ATOM 0 H SER A 6 -19.768 16.578 -0.891 1.00 0.00 H new ATOM 0 HA SER A 6 -19.504 18.258 -2.264 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.286 16.391 -2.522 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.473 17.279 -4.021 1.00 0.00 H new ATOM 0 HG SER A 6 -16.183 18.446 -2.464 1.00 0.00 H new ATOM 59 N GLY A 7 -21.227 16.806 -4.125 1.00 0.00 N ATOM 60 CA GLY A 7 -22.027 16.657 -5.323 1.00 0.00 C ATOM 61 C GLY A 7 -22.514 15.220 -5.341 1.00 0.00 C ATOM 62 O GLY A 7 -22.890 14.678 -4.297 1.00 0.00 O ATOM 0 H GLY A 7 -21.671 16.399 -3.302 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -22.867 17.351 -5.317 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -21.438 16.878 -6.213 1.00 0.00 H new ATOM 66 N GLU A 8 -22.495 14.600 -6.513 1.00 0.00 N ATOM 67 CA GLU A 8 -22.679 13.174 -6.677 1.00 0.00 C ATOM 68 C GLU A 8 -21.810 12.790 -7.865 1.00 0.00 C ATOM 69 O GLU A 8 -22.149 13.100 -9.008 1.00 0.00 O ATOM 70 CB GLU A 8 -24.156 12.834 -6.903 1.00 0.00 C ATOM 71 CG GLU A 8 -24.357 11.314 -6.951 1.00 0.00 C ATOM 72 CD GLU A 8 -25.756 10.905 -7.404 1.00 0.00 C ATOM 73 OE1 GLU A 8 -26.696 11.726 -7.348 1.00 0.00 O ATOM 74 OE2 GLU A 8 -25.911 9.727 -7.809 1.00 0.00 O ATOM 0 H GLU A 8 -22.347 15.091 -7.394 1.00 0.00 H new ATOM 0 HA GLU A 8 -22.389 12.616 -5.787 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -24.760 13.261 -6.103 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -24.500 13.282 -7.836 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -23.622 10.878 -7.627 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -24.167 10.898 -5.962 1.00 0.00 H new ATOM 81 N HIS A 9 -20.657 12.192 -7.595 1.00 0.00 N ATOM 82 CA HIS A 9 -19.710 11.754 -8.605 1.00 0.00 C ATOM 83 C HIS A 9 -18.898 10.607 -8.012 1.00 0.00 C ATOM 84 O HIS A 9 -18.697 10.552 -6.791 1.00 0.00 O ATOM 85 CB HIS A 9 -18.825 12.934 -9.059 1.00 0.00 C ATOM 86 CG HIS A 9 -18.522 13.991 -8.015 1.00 0.00 C ATOM 87 ND1 HIS A 9 -18.017 13.791 -6.756 1.00 0.00 N flip ATOM 88 CD2 HIS A 9 -18.690 15.350 -8.180 1.00 0.00 C flip ATOM 89 CE1 HIS A 9 -17.844 15.042 -6.164 1.00 0.00 C flip ATOM 90 NE2 HIS A 9 -18.266 15.952 -7.055 1.00 0.00 N flip ATOM 0 H HIS A 9 -20.349 11.994 -6.643 1.00 0.00 H new ATOM 0 HA HIS A 9 -20.223 11.399 -9.499 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -17.879 12.532 -9.422 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -19.311 13.419 -9.905 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -19.090 15.842 -9.055 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -17.447 15.240 -5.179 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -18.265 16.960 -6.900 1.00 0.00 H new ATOM 98 N ALA A 10 -18.438 9.703 -8.875 1.00 0.00 N ATOM 99 CA ALA A 10 -17.560 8.601 -8.523 1.00 0.00 C ATOM 100 C ALA A 10 -16.114 8.954 -8.863 1.00 0.00 C ATOM 101 O ALA A 10 -15.852 9.981 -9.496 1.00 0.00 O ATOM 102 CB ALA A 10 -18.002 7.342 -9.275 1.00 0.00 C ATOM 0 H ALA A 10 -18.676 9.722 -9.867 1.00 0.00 H new ATOM 0 HA ALA A 10 -17.620 8.413 -7.451 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -17.345 6.512 -9.013 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -19.027 7.094 -8.999 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -17.949 7.522 -10.349 1.00 0.00 H new ATOM 108 N LYS A 11 -15.185 8.065 -8.482 1.00 0.00 N ATOM 109 CA LYS A 11 -13.756 8.152 -8.810 1.00 0.00 C ATOM 110 C LYS A 11 -13.131 9.467 -8.316 1.00 0.00 C ATOM 111 O LYS A 11 -12.065 9.872 -8.785 1.00 0.00 O ATOM 112 CB LYS A 11 -13.597 7.922 -10.327 1.00 0.00 C ATOM 113 CG LYS A 11 -12.202 7.446 -10.753 1.00 0.00 C ATOM 114 CD LYS A 11 -12.198 7.212 -12.265 1.00 0.00 C ATOM 115 CE LYS A 11 -10.824 6.723 -12.724 1.00 0.00 C ATOM 116 NZ LYS A 11 -10.853 6.313 -14.141 1.00 0.00 N ATOM 0 H LYS A 11 -15.414 7.244 -7.922 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.200 7.376 -8.284 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -14.333 7.186 -10.650 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -13.826 8.851 -10.849 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.452 8.190 -10.485 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.941 6.527 -10.229 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -12.959 6.477 -12.528 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -12.454 8.136 -12.783 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.088 7.515 -12.586 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.508 5.883 -12.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.908 5.985 -14.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -11.539 5.541 -14.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.132 7.123 -14.731 1.00 0.00 H new ATOM 130 N GLN A 12 -13.774 10.147 -7.368 1.00 0.00 N ATOM 131 CA GLN A 12 -13.429 11.488 -6.932 1.00 0.00 C ATOM 132 C GLN A 12 -12.551 11.378 -5.690 1.00 0.00 C ATOM 133 O GLN A 12 -12.821 11.995 -4.658 1.00 0.00 O ATOM 134 CB GLN A 12 -14.726 12.306 -6.751 1.00 0.00 C ATOM 135 CG GLN A 12 -14.590 13.674 -7.423 1.00 0.00 C ATOM 136 CD GLN A 12 -13.648 14.648 -6.723 1.00 0.00 C ATOM 137 OE1 GLN A 12 -13.648 14.810 -5.505 1.00 0.00 O ATOM 138 NE2 GLN A 12 -12.783 15.320 -7.455 1.00 0.00 N ATOM 0 H GLN A 12 -14.576 9.761 -6.869 1.00 0.00 H new ATOM 0 HA GLN A 12 -12.842 12.033 -7.671 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -15.568 11.764 -7.181 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -14.938 12.434 -5.690 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -14.241 13.526 -8.445 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -15.578 14.130 -7.486 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -12.769 15.198 -8.468 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -12.128 15.962 -7.009 1.00 0.00 H new ATOM 147 N ALA A 13 -11.516 10.541 -5.767 1.00 0.00 N ATOM 148 CA ALA A 13 -10.606 10.283 -4.672 1.00 0.00 C ATOM 149 C ALA A 13 -9.319 9.670 -5.212 1.00 0.00 C ATOM 150 O ALA A 13 -9.286 9.146 -6.330 1.00 0.00 O ATOM 151 CB ALA A 13 -11.297 9.348 -3.680 1.00 0.00 C ATOM 0 H ALA A 13 -11.290 10.018 -6.613 1.00 0.00 H new ATOM 0 HA ALA A 13 -10.344 11.209 -4.160 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -10.626 9.142 -2.846 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -12.205 9.821 -3.306 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.554 8.414 -4.179 1.00 0.00 H new ATOM 157 N SER A 14 -8.260 9.703 -4.406 1.00 0.00 N ATOM 158 CA SER A 14 -6.910 9.291 -4.783 1.00 0.00 C ATOM 159 C SER A 14 -6.741 7.766 -4.732 1.00 0.00 C ATOM 160 O SER A 14 -5.732 7.247 -4.257 1.00 0.00 O ATOM 161 CB SER A 14 -5.897 10.032 -3.901 1.00 0.00 C ATOM 162 OG SER A 14 -6.277 11.392 -3.801 1.00 0.00 O ATOM 0 H SER A 14 -8.320 10.028 -3.441 1.00 0.00 H new ATOM 0 HA SER A 14 -6.726 9.565 -5.822 1.00 0.00 H new ATOM 0 HB2 SER A 14 -5.858 9.579 -2.911 1.00 0.00 H new ATOM 0 HB3 SER A 14 -4.897 9.951 -4.328 1.00 0.00 H new ATOM 0 HG SER A 14 -5.634 11.871 -3.237 1.00 0.00 H new ATOM 168 N SER A 15 -7.741 7.017 -5.197 1.00 0.00 N ATOM 169 CA SER A 15 -7.743 5.560 -5.170 1.00 0.00 C ATOM 170 C SER A 15 -6.729 4.962 -6.156 1.00 0.00 C ATOM 171 O SER A 15 -6.458 3.763 -6.105 1.00 0.00 O ATOM 172 CB SER A 15 -9.145 5.056 -5.533 1.00 0.00 C ATOM 173 OG SER A 15 -10.175 5.813 -4.920 1.00 0.00 O ATOM 0 H SER A 15 -8.585 7.415 -5.609 1.00 0.00 H new ATOM 0 HA SER A 15 -7.460 5.245 -4.166 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.270 5.090 -6.615 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.240 4.012 -5.234 1.00 0.00 H new ATOM 0 HG SER A 15 -11.047 5.453 -5.184 1.00 0.00 H new ATOM 179 N TYR A 16 -6.220 5.767 -7.091 1.00 0.00 N ATOM 180 CA TYR A 16 -5.681 5.292 -8.355 1.00 0.00 C ATOM 181 C TYR A 16 -4.251 4.739 -8.268 1.00 0.00 C ATOM 182 O TYR A 16 -3.939 3.877 -9.088 1.00 0.00 O ATOM 183 CB TYR A 16 -5.797 6.417 -9.396 1.00 0.00 C ATOM 184 CG TYR A 16 -5.202 7.745 -8.961 1.00 0.00 C ATOM 185 CD1 TYR A 16 -3.809 7.916 -8.974 1.00 0.00 C ATOM 186 CD2 TYR A 16 -6.023 8.791 -8.500 1.00 0.00 C ATOM 187 CE1 TYR A 16 -3.229 9.084 -8.445 1.00 0.00 C ATOM 188 CE2 TYR A 16 -5.449 9.989 -8.035 1.00 0.00 C ATOM 189 CZ TYR A 16 -4.045 10.136 -7.981 1.00 0.00 C ATOM 190 OH TYR A 16 -3.456 11.261 -7.492 1.00 0.00 O ATOM 0 H TYR A 16 -6.173 6.780 -6.984 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.278 4.433 -8.661 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -5.305 6.097 -10.314 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -6.850 6.566 -9.634 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -3.178 7.146 -9.393 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -7.097 8.674 -8.503 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -2.154 9.175 -8.394 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.086 10.801 -7.717 1.00 0.00 H new ATOM 0 HH TYR A 16 -4.147 11.897 -7.212 1.00 0.00 H new ATOM 200 N ILE A 17 -3.420 5.206 -7.321 1.00 0.00 N ATOM 201 CA ILE A 17 -1.997 4.881 -7.086 1.00 0.00 C ATOM 202 C ILE A 17 -1.253 4.419 -8.354 1.00 0.00 C ATOM 203 O ILE A 17 -1.226 3.221 -8.669 1.00 0.00 O ATOM 204 CB ILE A 17 -1.851 3.856 -5.929 1.00 0.00 C ATOM 205 CG1 ILE A 17 -2.576 4.278 -4.633 1.00 0.00 C ATOM 206 CG2 ILE A 17 -0.383 3.510 -5.595 1.00 0.00 C ATOM 207 CD1 ILE A 17 -2.227 5.671 -4.096 1.00 0.00 C ATOM 0 H ILE A 17 -3.755 5.883 -6.636 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.512 5.811 -6.789 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.338 2.963 -6.320 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.651 4.237 -4.810 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.352 3.544 -3.859 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.356 2.789 -4.778 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.099 3.081 -6.474 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.146 4.416 -5.297 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.793 5.862 -3.184 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.160 5.720 -3.877 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.479 6.423 -4.844 1.00 0.00 H new ATOM 219 N PRO A 18 -0.617 5.351 -9.080 1.00 0.00 N ATOM 220 CA PRO A 18 0.142 5.036 -10.280 1.00 0.00 C ATOM 221 C PRO A 18 1.300 4.118 -9.930 1.00 0.00 C ATOM 222 O PRO A 18 1.936 4.282 -8.887 1.00 0.00 O ATOM 223 CB PRO A 18 0.611 6.388 -10.821 1.00 0.00 C ATOM 224 CG PRO A 18 0.666 7.262 -9.566 1.00 0.00 C ATOM 225 CD PRO A 18 -0.461 6.756 -8.733 1.00 0.00 C ATOM 0 HA PRO A 18 -0.443 4.506 -11.031 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.586 6.313 -11.304 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -0.081 6.788 -11.561 1.00 0.00 H new ATOM 0 HG2 PRO A 18 1.621 7.162 -9.050 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.543 8.318 -9.808 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -0.245 6.874 -7.671 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -1.376 7.312 -8.936 1.00 0.00 H new ATOM 233 N LEU A 19 1.551 3.137 -10.795 1.00 0.00 N ATOM 234 CA LEU A 19 2.598 2.153 -10.591 1.00 0.00 C ATOM 235 C LEU A 19 3.900 2.644 -11.180 1.00 0.00 C ATOM 236 O LEU A 19 4.906 2.652 -10.484 1.00 0.00 O ATOM 237 CB LEU A 19 2.182 0.766 -11.146 1.00 0.00 C ATOM 238 CG LEU A 19 1.600 -0.131 -10.037 1.00 0.00 C ATOM 239 CD1 LEU A 19 0.954 -1.452 -10.485 1.00 0.00 C ATOM 240 CD2 LEU A 19 2.721 -0.517 -9.084 1.00 0.00 C ATOM 0 H LEU A 19 1.027 3.007 -11.661 1.00 0.00 H new ATOM 0 HA LEU A 19 2.752 2.022 -9.520 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.443 0.895 -11.937 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.047 0.278 -11.595 1.00 0.00 H new ATOM 0 HG LEU A 19 0.807 0.475 -9.598 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.584 -1.990 -9.612 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.125 -1.241 -11.160 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.695 -2.063 -11.001 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.323 -1.153 -8.293 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.493 -1.058 -9.631 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.151 0.383 -8.644 1.00 0.00 H new ATOM 252 N ASP A 20 3.868 3.152 -12.408 1.00 0.00 N ATOM 253 CA ASP A 20 5.062 3.656 -13.083 1.00 0.00 C ATOM 254 C ASP A 20 5.743 4.787 -12.294 1.00 0.00 C ATOM 255 O ASP A 20 6.964 4.931 -12.339 1.00 0.00 O ATOM 256 CB ASP A 20 4.648 4.124 -14.477 1.00 0.00 C ATOM 257 CG ASP A 20 5.815 4.698 -15.268 1.00 0.00 C ATOM 258 OD1 ASP A 20 6.024 5.935 -15.182 1.00 0.00 O ATOM 259 OD2 ASP A 20 6.447 3.924 -16.017 1.00 0.00 O ATOM 0 H ASP A 20 3.016 3.226 -12.964 1.00 0.00 H new ATOM 0 HA ASP A 20 5.801 2.858 -13.154 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.218 3.286 -15.026 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.868 4.880 -14.387 1.00 0.00 H new ATOM 264 N ARG A 21 4.977 5.566 -11.517 1.00 0.00 N ATOM 265 CA ARG A 21 5.500 6.612 -10.640 1.00 0.00 C ATOM 266 C ARG A 21 6.326 6.079 -9.468 1.00 0.00 C ATOM 267 O ARG A 21 7.076 6.871 -8.884 1.00 0.00 O ATOM 268 CB ARG A 21 4.309 7.417 -10.096 1.00 0.00 C ATOM 269 CG ARG A 21 3.872 8.529 -11.056 1.00 0.00 C ATOM 270 CD ARG A 21 4.648 9.832 -10.807 1.00 0.00 C ATOM 271 NE ARG A 21 4.965 10.563 -12.042 1.00 0.00 N ATOM 272 CZ ARG A 21 4.165 11.116 -12.960 1.00 0.00 C ATOM 273 NH1 ARG A 21 2.848 11.137 -12.792 1.00 0.00 N ATOM 274 NH2 ARG A 21 4.705 11.613 -14.065 1.00 0.00 N ATOM 0 H ARG A 21 3.961 5.482 -11.483 1.00 0.00 H new ATOM 0 HA ARG A 21 6.176 7.228 -11.233 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.470 6.744 -9.917 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.578 7.855 -9.135 1.00 0.00 H new ATOM 0 HG2 ARG A 21 4.027 8.204 -12.085 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.804 8.713 -10.938 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.062 10.476 -10.151 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.575 9.601 -10.282 1.00 0.00 H new ATOM 0 HE ARG A 21 5.962 10.666 -12.231 1.00 0.00 H new ATOM 0 HH11 ARG A 21 2.434 10.728 -11.954 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.250 11.562 -13.501 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.715 11.570 -14.203 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.111 12.039 -14.776 1.00 0.00 H new ATOM 288 N LEU A 22 6.159 4.818 -9.055 1.00 0.00 N ATOM 289 CA LEU A 22 6.828 4.255 -7.880 1.00 0.00 C ATOM 290 C LEU A 22 7.886 3.261 -8.341 1.00 0.00 C ATOM 291 O LEU A 22 7.994 2.936 -9.522 1.00 0.00 O ATOM 292 CB LEU A 22 5.852 3.587 -6.877 1.00 0.00 C ATOM 293 CG LEU A 22 4.539 4.333 -6.578 1.00 0.00 C ATOM 294 CD1 LEU A 22 3.763 3.696 -5.427 1.00 0.00 C ATOM 295 CD2 LEU A 22 4.716 5.815 -6.243 1.00 0.00 C ATOM 0 H LEU A 22 5.549 4.154 -9.533 1.00 0.00 H new ATOM 0 HA LEU A 22 7.290 5.081 -7.339 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.600 2.597 -7.257 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.381 3.441 -5.935 1.00 0.00 H new ATOM 0 HG LEU A 22 3.985 4.252 -7.514 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.845 4.257 -5.253 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.516 2.665 -5.681 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.374 3.711 -4.524 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.742 6.262 -6.046 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.347 5.916 -5.360 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.186 6.325 -7.084 1.00 0.00 H new ATOM 307 N SER A 23 8.652 2.766 -7.381 1.00 0.00 N ATOM 308 CA SER A 23 9.659 1.730 -7.538 1.00 0.00 C ATOM 309 C SER A 23 8.989 0.467 -7.000 1.00 0.00 C ATOM 310 O SER A 23 8.343 0.553 -5.954 1.00 0.00 O ATOM 311 CB SER A 23 10.918 2.109 -6.731 1.00 0.00 C ATOM 312 OG SER A 23 11.091 3.518 -6.647 1.00 0.00 O ATOM 0 H SER A 23 8.583 3.095 -6.418 1.00 0.00 H new ATOM 0 HA SER A 23 9.989 1.592 -8.568 1.00 0.00 H new ATOM 0 HB2 SER A 23 10.844 1.692 -5.727 1.00 0.00 H new ATOM 0 HB3 SER A 23 11.796 1.663 -7.198 1.00 0.00 H new ATOM 0 HG SER A 23 10.488 3.882 -5.966 1.00 0.00 H new ATOM 318 N ILE A 24 9.071 -0.662 -7.700 1.00 0.00 N ATOM 319 CA ILE A 24 8.444 -1.915 -7.311 1.00 0.00 C ATOM 320 C ILE A 24 9.479 -3.004 -7.520 1.00 0.00 C ATOM 321 O ILE A 24 10.107 -3.071 -8.578 1.00 0.00 O ATOM 322 CB ILE A 24 7.143 -2.204 -8.096 1.00 0.00 C ATOM 323 CG1 ILE A 24 6.114 -1.073 -7.976 1.00 0.00 C ATOM 324 CG2 ILE A 24 6.544 -3.514 -7.587 1.00 0.00 C ATOM 325 CD1 ILE A 24 6.260 -0.077 -9.120 1.00 0.00 C ATOM 0 H ILE A 24 9.590 -0.728 -8.576 1.00 0.00 H new ATOM 0 HA ILE A 24 8.133 -1.866 -6.268 1.00 0.00 H new ATOM 0 HB ILE A 24 7.398 -2.281 -9.153 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.107 -1.491 -7.979 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.243 -0.559 -7.023 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.625 -3.730 -8.132 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.257 -4.324 -7.741 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.322 -3.424 -6.524 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.518 0.714 -9.010 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.260 0.357 -9.099 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.107 -0.589 -10.070 1.00 0.00 H new ATOM 337 N SER A 25 9.606 -3.886 -6.536 1.00 0.00 N ATOM 338 CA SER A 25 10.664 -4.888 -6.482 1.00 0.00 C ATOM 339 C SER A 25 10.077 -6.204 -5.982 1.00 0.00 C ATOM 340 O SER A 25 9.572 -6.279 -4.865 1.00 0.00 O ATOM 341 CB SER A 25 11.795 -4.357 -5.588 1.00 0.00 C ATOM 342 OG SER A 25 13.048 -4.915 -5.907 1.00 0.00 O ATOM 0 H SER A 25 8.968 -3.926 -5.741 1.00 0.00 H new ATOM 0 HA SER A 25 11.087 -5.080 -7.468 1.00 0.00 H new ATOM 0 HB2 SER A 25 11.850 -3.273 -5.684 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.560 -4.573 -4.546 1.00 0.00 H new ATOM 0 HG SER A 25 13.732 -4.544 -5.312 1.00 0.00 H new ATOM 348 N TYR A 26 10.098 -7.252 -6.805 1.00 0.00 N ATOM 349 CA TYR A 26 9.593 -8.556 -6.387 1.00 0.00 C ATOM 350 C TYR A 26 10.726 -9.420 -5.861 1.00 0.00 C ATOM 351 O TYR A 26 11.783 -9.523 -6.493 1.00 0.00 O ATOM 352 CB TYR A 26 8.869 -9.241 -7.535 1.00 0.00 C ATOM 353 CG TYR A 26 7.924 -8.299 -8.248 1.00 0.00 C ATOM 354 CD1 TYR A 26 6.850 -7.686 -7.568 1.00 0.00 C ATOM 355 CD2 TYR A 26 8.218 -7.928 -9.569 1.00 0.00 C ATOM 356 CE1 TYR A 26 6.078 -6.719 -8.224 1.00 0.00 C ATOM 357 CE2 TYR A 26 7.436 -6.974 -10.227 1.00 0.00 C ATOM 358 CZ TYR A 26 6.361 -6.357 -9.562 1.00 0.00 C ATOM 359 OH TYR A 26 5.652 -5.392 -10.205 1.00 0.00 O ATOM 0 H TYR A 26 10.457 -7.223 -7.759 1.00 0.00 H new ATOM 0 HA TYR A 26 8.877 -8.409 -5.578 1.00 0.00 H new ATOM 0 HB2 TYR A 26 9.599 -9.629 -8.245 1.00 0.00 H new ATOM 0 HB3 TYR A 26 8.310 -10.096 -7.154 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.625 -7.961 -6.548 1.00 0.00 H new ATOM 0 HD2 TYR A 26 9.054 -8.382 -10.081 1.00 0.00 H new ATOM 0 HE1 TYR A 26 5.259 -6.245 -7.704 1.00 0.00 H new ATOM 0 HE2 TYR A 26 7.658 -6.710 -11.250 1.00 0.00 H new ATOM 0 HH TYR A 26 5.996 -5.286 -11.116 1.00 0.00 H new ATOM 369 N CYS A 27 10.503 -10.064 -4.723 1.00 0.00 N ATOM 370 CA CYS A 27 11.460 -10.926 -4.043 1.00 0.00 C ATOM 371 C CYS A 27 10.812 -12.284 -3.789 1.00 0.00 C ATOM 372 O CYS A 27 9.599 -12.429 -3.931 1.00 0.00 O ATOM 373 CB CYS A 27 11.911 -10.244 -2.741 1.00 0.00 C ATOM 374 SG CYS A 27 13.437 -9.314 -3.056 1.00 0.00 S ATOM 0 H CYS A 27 9.614 -9.997 -4.228 1.00 0.00 H new ATOM 0 HA CYS A 27 12.346 -11.089 -4.657 1.00 0.00 H new ATOM 0 HB2 CYS A 27 11.131 -9.575 -2.377 1.00 0.00 H new ATOM 0 HB3 CYS A 27 12.079 -10.990 -1.964 1.00 0.00 H new ATOM 0 HG CYS A 27 13.824 -8.732 -1.960 1.00 0.00 H new ATOM 380 N ARG A 28 11.615 -13.274 -3.394 1.00 0.00 N ATOM 381 CA ARG A 28 11.105 -14.557 -2.925 1.00 0.00 C ATOM 382 C ARG A 28 10.517 -14.394 -1.528 1.00 0.00 C ATOM 383 O ARG A 28 9.373 -14.783 -1.330 1.00 0.00 O ATOM 384 CB ARG A 28 12.222 -15.608 -2.990 1.00 0.00 C ATOM 385 CG ARG A 28 11.771 -17.000 -2.513 1.00 0.00 C ATOM 386 CD ARG A 28 12.111 -17.263 -1.042 1.00 0.00 C ATOM 387 NE ARG A 28 13.570 -17.355 -0.850 1.00 0.00 N ATOM 388 CZ ARG A 28 14.225 -18.075 0.064 1.00 0.00 C ATOM 389 NH1 ARG A 28 13.573 -18.792 0.969 1.00 0.00 N ATOM 390 NH2 ARG A 28 15.551 -18.077 0.034 1.00 0.00 N ATOM 0 H ARG A 28 12.633 -13.206 -3.391 1.00 0.00 H new ATOM 0 HA ARG A 28 10.299 -14.909 -3.569 1.00 0.00 H new ATOM 0 HB2 ARG A 28 12.584 -15.682 -4.016 1.00 0.00 H new ATOM 0 HB3 ARG A 28 13.061 -15.276 -2.379 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.695 -17.097 -2.655 1.00 0.00 H new ATOM 0 HG3 ARG A 28 12.244 -17.762 -3.132 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.708 -16.462 -0.422 1.00 0.00 H new ATOM 0 HD3 ARG A 28 11.638 -18.189 -0.715 1.00 0.00 H new ATOM 0 HE ARG A 28 14.145 -16.806 -1.489 1.00 0.00 H new ATOM 0 HH11 ARG A 28 12.553 -18.800 0.975 1.00 0.00 H new ATOM 0 HH12 ARG A 28 14.091 -19.336 1.659 1.00 0.00 H new ATOM 0 HH21 ARG A 28 16.046 -17.537 -0.676 1.00 0.00 H new ATOM 0 HH22 ARG A 28 16.076 -18.619 0.721 1.00 0.00 H new ATOM 404 N SER A 29 11.300 -13.819 -0.608 1.00 0.00 N ATOM 405 CA SER A 29 11.016 -13.543 0.795 1.00 0.00 C ATOM 406 C SER A 29 11.308 -14.756 1.672 1.00 0.00 C ATOM 407 O SER A 29 10.673 -15.808 1.549 1.00 0.00 O ATOM 408 CB SER A 29 9.615 -13.005 1.016 1.00 0.00 C ATOM 409 OG SER A 29 9.502 -12.522 2.324 1.00 0.00 O ATOM 0 H SER A 29 12.239 -13.507 -0.857 1.00 0.00 H new ATOM 0 HA SER A 29 11.695 -12.747 1.100 1.00 0.00 H new ATOM 0 HB2 SER A 29 9.403 -12.208 0.303 1.00 0.00 H new ATOM 0 HB3 SER A 29 8.880 -13.791 0.843 1.00 0.00 H new ATOM 0 HG SER A 29 8.598 -12.173 2.467 1.00 0.00 H new ATOM 415 N SER A 30 12.264 -14.600 2.582 1.00 0.00 N ATOM 416 CA SER A 30 12.662 -15.617 3.541 1.00 0.00 C ATOM 417 C SER A 30 12.580 -15.060 4.966 1.00 0.00 C ATOM 418 O SER A 30 12.339 -13.870 5.184 1.00 0.00 O ATOM 419 CB SER A 30 14.068 -16.162 3.215 1.00 0.00 C ATOM 420 OG SER A 30 14.758 -15.506 2.158 1.00 0.00 O ATOM 0 H SER A 30 12.797 -13.735 2.673 1.00 0.00 H new ATOM 0 HA SER A 30 11.971 -16.457 3.471 1.00 0.00 H new ATOM 0 HB2 SER A 30 14.679 -16.100 4.116 1.00 0.00 H new ATOM 0 HB3 SER A 30 13.978 -17.219 2.964 1.00 0.00 H new ATOM 0 HG SER A 30 15.636 -15.923 2.032 1.00 0.00 H new ATOM 426 N GLY A 31 12.798 -15.940 5.937 1.00 0.00 N ATOM 427 CA GLY A 31 13.101 -15.636 7.320 1.00 0.00 C ATOM 428 C GLY A 31 13.756 -16.887 7.899 1.00 0.00 C ATOM 429 O GLY A 31 14.214 -17.744 7.138 1.00 0.00 O ATOM 0 H GLY A 31 12.764 -16.944 5.763 1.00 0.00 H new ATOM 0 HA2 GLY A 31 13.769 -14.778 7.392 1.00 0.00 H new ATOM 0 HA3 GLY A 31 12.195 -15.381 7.870 1.00 0.00 H new ATOM 433 N PRO A 32 13.831 -17.032 9.224 1.00 0.00 N ATOM 434 CA PRO A 32 14.145 -18.307 9.846 1.00 0.00 C ATOM 435 C PRO A 32 12.962 -19.279 9.726 1.00 0.00 C ATOM 436 O PRO A 32 13.174 -20.472 9.525 1.00 0.00 O ATOM 437 CB PRO A 32 14.481 -17.971 11.297 1.00 0.00 C ATOM 438 CG PRO A 32 13.787 -16.635 11.572 1.00 0.00 C ATOM 439 CD PRO A 32 13.454 -16.036 10.204 1.00 0.00 C ATOM 0 HA PRO A 32 14.980 -18.813 9.362 1.00 0.00 H new ATOM 0 HB2 PRO A 32 14.123 -18.747 11.974 1.00 0.00 H new ATOM 0 HB3 PRO A 32 15.558 -17.892 11.443 1.00 0.00 H new ATOM 0 HG2 PRO A 32 12.883 -16.781 12.163 1.00 0.00 H new ATOM 0 HG3 PRO A 32 14.436 -15.969 12.141 1.00 0.00 H new ATOM 0 HD2 PRO A 32 12.392 -15.800 10.130 1.00 0.00 H new ATOM 0 HD3 PRO A 32 13.999 -15.106 10.043 1.00 0.00 H new ATOM 447 N GLY A 33 11.730 -18.768 9.805 1.00 0.00 N ATOM 448 CA GLY A 33 10.493 -19.500 9.616 1.00 0.00 C ATOM 449 C GLY A 33 9.408 -18.459 9.417 1.00 0.00 C ATOM 450 O GLY A 33 8.710 -18.101 10.367 1.00 0.00 O ATOM 0 H GLY A 33 11.570 -17.782 10.013 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.561 -20.161 8.752 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.276 -20.127 10.481 1.00 0.00 H new ATOM 454 N GLY A 34 9.326 -17.879 8.221 1.00 0.00 N ATOM 455 CA GLY A 34 8.471 -16.734 7.925 1.00 0.00 C ATOM 456 C GLY A 34 7.151 -17.225 7.351 1.00 0.00 C ATOM 457 O GLY A 34 7.008 -17.264 6.130 1.00 0.00 O ATOM 0 H GLY A 34 9.863 -18.199 7.415 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.293 -16.155 8.831 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.965 -16.071 7.215 1.00 0.00 H new ATOM 461 N GLN A 35 6.205 -17.606 8.218 1.00 0.00 N ATOM 462 CA GLN A 35 4.915 -18.216 7.890 1.00 0.00 C ATOM 463 C GLN A 35 5.114 -19.576 7.214 1.00 0.00 C ATOM 464 O GLN A 35 4.886 -20.620 7.817 1.00 0.00 O ATOM 465 CB GLN A 35 4.046 -17.245 7.057 1.00 0.00 C ATOM 466 CG GLN A 35 2.575 -17.247 7.477 1.00 0.00 C ATOM 467 CD GLN A 35 1.817 -16.184 6.691 1.00 0.00 C ATOM 468 OE1 GLN A 35 1.804 -15.012 7.062 1.00 0.00 O ATOM 469 NE2 GLN A 35 1.162 -16.555 5.611 1.00 0.00 N ATOM 0 H GLN A 35 6.328 -17.489 9.224 1.00 0.00 H new ATOM 0 HA GLN A 35 4.367 -18.407 8.813 1.00 0.00 H new ATOM 0 HB2 GLN A 35 4.444 -16.235 7.155 1.00 0.00 H new ATOM 0 HB3 GLN A 35 4.117 -17.515 6.003 1.00 0.00 H new ATOM 0 HG2 GLN A 35 2.136 -18.228 7.297 1.00 0.00 H new ATOM 0 HG3 GLN A 35 2.491 -17.052 8.546 1.00 0.00 H new ATOM 0 HE21 GLN A 35 1.180 -17.530 5.313 1.00 0.00 H new ATOM 0 HE22 GLN A 35 0.636 -15.867 5.072 1.00 0.00 H new ATOM 478 N ASN A 36 5.529 -19.564 5.953 1.00 0.00 N ATOM 479 CA ASN A 36 5.941 -20.704 5.156 1.00 0.00 C ATOM 480 C ASN A 36 6.915 -20.153 4.122 1.00 0.00 C ATOM 481 O ASN A 36 8.088 -20.512 4.105 1.00 0.00 O ATOM 482 CB ASN A 36 4.720 -21.434 4.538 1.00 0.00 C ATOM 483 CG ASN A 36 4.096 -20.819 3.287 1.00 0.00 C ATOM 484 OD1 ASN A 36 4.316 -21.275 2.164 1.00 0.00 O ATOM 485 ND2 ASN A 36 3.375 -19.726 3.458 1.00 0.00 N ATOM 0 H ASN A 36 5.589 -18.692 5.426 1.00 0.00 H new ATOM 0 HA ASN A 36 6.431 -21.472 5.755 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.022 -22.453 4.298 1.00 0.00 H new ATOM 0 HB3 ASN A 36 3.946 -21.503 5.302 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.986 -19.240 2.650 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.207 -19.368 4.398 1.00 0.00 H new ATOM 492 N VAL A 37 6.420 -19.221 3.309 1.00 0.00 N ATOM 493 CA VAL A 37 6.828 -18.871 1.967 1.00 0.00 C ATOM 494 C VAL A 37 7.626 -20.015 1.315 1.00 0.00 C ATOM 495 O VAL A 37 8.779 -19.875 0.912 1.00 0.00 O ATOM 496 CB VAL A 37 7.456 -17.467 1.987 1.00 0.00 C ATOM 497 CG1 VAL A 37 7.758 -16.929 0.580 1.00 0.00 C ATOM 498 CG2 VAL A 37 6.497 -16.453 2.638 1.00 0.00 C ATOM 0 H VAL A 37 5.642 -18.637 3.615 1.00 0.00 H new ATOM 0 HA VAL A 37 5.982 -18.776 1.287 1.00 0.00 H new ATOM 0 HB VAL A 37 8.384 -17.574 2.550 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.200 -15.935 0.657 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.456 -17.598 0.077 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.833 -16.871 0.006 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.959 -15.466 2.643 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.567 -16.415 2.070 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.285 -16.759 3.662 1.00 0.00 H new ATOM 508 N ASN A 38 6.962 -21.167 1.211 1.00 0.00 N ATOM 509 CA ASN A 38 7.404 -22.378 0.535 1.00 0.00 C ATOM 510 C ASN A 38 6.531 -22.605 -0.694 1.00 0.00 C ATOM 511 O ASN A 38 7.038 -22.940 -1.765 1.00 0.00 O ATOM 512 CB ASN A 38 7.260 -23.592 1.465 1.00 0.00 C ATOM 513 CG ASN A 38 8.117 -23.511 2.718 1.00 0.00 C ATOM 514 OD1 ASN A 38 7.576 -23.509 3.821 1.00 0.00 O ATOM 515 ND2 ASN A 38 9.431 -23.431 2.598 1.00 0.00 N ATOM 0 H ASN A 38 6.038 -21.282 1.627 1.00 0.00 H new ATOM 0 HA ASN A 38 8.450 -22.262 0.251 1.00 0.00 H new ATOM 0 HB2 ASN A 38 6.215 -23.692 1.757 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.524 -24.494 0.913 1.00 0.00 H new ATOM 0 HD21 ASN A 38 10.016 -23.366 3.431 1.00 0.00 H new ATOM 0 HD22 ASN A 38 9.860 -23.434 1.672 1.00 0.00 H new ATOM 522 N LYS A 39 5.210 -22.450 -0.544 1.00 0.00 N ATOM 523 CA LYS A 39 4.232 -22.638 -1.614 1.00 0.00 C ATOM 524 C LYS A 39 3.656 -21.313 -2.095 1.00 0.00 C ATOM 525 O LYS A 39 3.265 -21.208 -3.258 1.00 0.00 O ATOM 526 CB LYS A 39 3.126 -23.586 -1.140 1.00 0.00 C ATOM 527 CG LYS A 39 3.599 -25.023 -0.880 1.00 0.00 C ATOM 528 CD LYS A 39 4.279 -25.683 -2.091 1.00 0.00 C ATOM 529 CE LYS A 39 3.992 -27.188 -2.119 1.00 0.00 C ATOM 530 NZ LYS A 39 2.734 -27.482 -2.837 1.00 0.00 N ATOM 0 H LYS A 39 4.786 -22.185 0.345 1.00 0.00 H new ATOM 0 HA LYS A 39 4.740 -23.085 -2.468 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.689 -23.188 -0.224 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.334 -23.606 -1.889 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.295 -25.020 -0.042 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.743 -25.628 -0.581 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.921 -25.222 -3.012 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.355 -25.514 -2.047 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.819 -27.709 -2.602 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.928 -27.567 -1.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.567 -28.509 -2.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.943 -27.004 -2.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.806 -27.141 -3.817 1.00 0.00 H new ATOM 544 N VAL A 40 3.691 -20.283 -1.259 1.00 0.00 N ATOM 545 CA VAL A 40 3.880 -18.924 -1.718 1.00 0.00 C ATOM 546 C VAL A 40 5.394 -18.784 -1.867 1.00 0.00 C ATOM 547 O VAL A 40 6.166 -19.368 -1.105 1.00 0.00 O ATOM 548 CB VAL A 40 3.249 -17.952 -0.701 1.00 0.00 C ATOM 549 CG1 VAL A 40 3.606 -16.486 -0.988 1.00 0.00 C ATOM 550 CG2 VAL A 40 1.720 -18.118 -0.747 1.00 0.00 C ATOM 0 H VAL A 40 3.589 -20.372 -0.248 1.00 0.00 H new ATOM 0 HA VAL A 40 3.394 -18.690 -2.665 1.00 0.00 H new ATOM 0 HB VAL A 40 3.645 -18.195 0.285 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.136 -15.844 -0.243 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.688 -16.360 -0.945 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.248 -16.212 -1.980 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.258 -17.437 -0.032 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.359 -17.891 -1.750 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.458 -19.144 -0.491 1.00 0.00 H new ATOM 560 N ASN A 41 5.838 -18.051 -2.879 1.00 0.00 N ATOM 561 CA ASN A 41 7.247 -17.835 -3.183 1.00 0.00 C ATOM 562 C ASN A 41 7.473 -16.496 -3.884 1.00 0.00 C ATOM 563 O ASN A 41 8.409 -16.348 -4.672 1.00 0.00 O ATOM 564 CB ASN A 41 7.778 -19.040 -3.990 1.00 0.00 C ATOM 565 CG ASN A 41 9.035 -19.555 -3.323 1.00 0.00 C ATOM 566 OD1 ASN A 41 10.116 -19.539 -3.903 1.00 0.00 O ATOM 567 ND2 ASN A 41 8.910 -19.973 -2.079 1.00 0.00 N ATOM 0 H ASN A 41 5.211 -17.577 -3.529 1.00 0.00 H new ATOM 0 HA ASN A 41 7.817 -17.772 -2.256 1.00 0.00 H new ATOM 0 HB2 ASN A 41 7.025 -19.826 -4.035 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.990 -18.743 -5.017 1.00 0.00 H new ATOM 0 HD21 ASN A 41 9.729 -20.298 -1.565 1.00 0.00 H new ATOM 0 HD22 ASN A 41 7.994 -19.972 -1.630 1.00 0.00 H new ATOM 574 N SER A 42 6.575 -15.544 -3.643 1.00 0.00 N ATOM 575 CA SER A 42 6.423 -14.294 -4.350 1.00 0.00 C ATOM 576 C SER A 42 6.104 -13.256 -3.287 1.00 0.00 C ATOM 577 O SER A 42 5.193 -13.467 -2.487 1.00 0.00 O ATOM 578 CB SER A 42 5.281 -14.427 -5.367 1.00 0.00 C ATOM 579 OG SER A 42 5.699 -15.229 -6.457 1.00 0.00 O ATOM 0 H SER A 42 5.890 -15.642 -2.893 1.00 0.00 H new ATOM 0 HA SER A 42 7.317 -14.010 -4.905 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.408 -14.872 -4.890 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.982 -13.441 -5.723 1.00 0.00 H new ATOM 0 HG SER A 42 4.966 -15.312 -7.102 1.00 0.00 H new ATOM 585 N LYS A 43 6.879 -12.176 -3.265 1.00 0.00 N ATOM 586 CA LYS A 43 6.770 -11.043 -2.358 1.00 0.00 C ATOM 587 C LYS A 43 6.805 -9.764 -3.185 1.00 0.00 C ATOM 588 O LYS A 43 7.330 -9.801 -4.302 1.00 0.00 O ATOM 589 CB LYS A 43 7.928 -11.142 -1.364 1.00 0.00 C ATOM 590 CG LYS A 43 7.879 -10.194 -0.163 1.00 0.00 C ATOM 591 CD LYS A 43 9.151 -9.365 -0.176 1.00 0.00 C ATOM 592 CE LYS A 43 9.413 -8.596 1.094 1.00 0.00 C ATOM 593 NZ LYS A 43 9.790 -9.431 2.258 1.00 0.00 N ATOM 0 H LYS A 43 7.649 -12.064 -3.924 1.00 0.00 H new ATOM 0 HA LYS A 43 5.837 -11.039 -1.795 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.970 -12.165 -0.990 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.858 -10.961 -1.904 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.002 -9.549 -0.220 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.800 -10.758 0.766 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.997 -10.025 -0.366 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.102 -8.662 -1.007 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.209 -7.875 0.908 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.520 -8.025 1.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.236 -9.139 3.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.595 -10.430 2.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.804 -9.311 2.458 1.00 0.00 H new ATOM 607 N ALA A 44 6.276 -8.646 -2.686 1.00 0.00 N ATOM 608 CA ALA A 44 6.270 -7.380 -3.399 1.00 0.00 C ATOM 609 C ALA A 44 6.733 -6.296 -2.438 1.00 0.00 C ATOM 610 O ALA A 44 6.163 -6.145 -1.356 1.00 0.00 O ATOM 611 CB ALA A 44 4.867 -7.106 -3.935 1.00 0.00 C ATOM 0 H ALA A 44 5.837 -8.600 -1.766 1.00 0.00 H new ATOM 0 HA ALA A 44 6.946 -7.403 -4.254 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.861 -6.156 -4.470 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.574 -7.907 -4.614 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.163 -7.059 -3.104 1.00 0.00 H new ATOM 617 N GLU A 45 7.785 -5.580 -2.817 1.00 0.00 N ATOM 618 CA GLU A 45 8.230 -4.343 -2.198 1.00 0.00 C ATOM 619 C GLU A 45 7.778 -3.209 -3.114 1.00 0.00 C ATOM 620 O GLU A 45 7.751 -3.377 -4.336 1.00 0.00 O ATOM 621 CB GLU A 45 9.759 -4.414 -2.083 1.00 0.00 C ATOM 622 CG GLU A 45 10.487 -3.137 -1.639 1.00 0.00 C ATOM 623 CD GLU A 45 11.916 -3.123 -2.189 1.00 0.00 C ATOM 624 OE1 GLU A 45 12.745 -3.951 -1.740 1.00 0.00 O ATOM 625 OE2 GLU A 45 12.221 -2.306 -3.087 1.00 0.00 O ATOM 0 H GLU A 45 8.376 -5.861 -3.600 1.00 0.00 H new ATOM 0 HA GLU A 45 7.818 -4.181 -1.202 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.009 -5.208 -1.379 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.158 -4.711 -3.053 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.945 -2.260 -1.992 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.508 -3.082 -0.551 1.00 0.00 H new ATOM 632 N VAL A 46 7.459 -2.062 -2.521 1.00 0.00 N ATOM 633 CA VAL A 46 7.278 -0.790 -3.196 1.00 0.00 C ATOM 634 C VAL A 46 8.134 0.231 -2.455 1.00 0.00 C ATOM 635 O VAL A 46 8.266 0.173 -1.228 1.00 0.00 O ATOM 636 CB VAL A 46 5.789 -0.399 -3.236 1.00 0.00 C ATOM 637 CG1 VAL A 46 5.555 1.017 -3.784 1.00 0.00 C ATOM 638 CG2 VAL A 46 5.023 -1.395 -4.104 1.00 0.00 C ATOM 0 H VAL A 46 7.314 -1.996 -1.513 1.00 0.00 H new ATOM 0 HA VAL A 46 7.594 -0.843 -4.238 1.00 0.00 H new ATOM 0 HB VAL A 46 5.431 -0.417 -2.207 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.487 1.234 -3.787 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.070 1.741 -3.153 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.942 1.082 -4.801 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.969 -1.118 -4.132 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.428 -1.383 -5.116 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.124 -2.396 -3.685 1.00 0.00 H new ATOM 648 N ARG A 47 8.706 1.173 -3.203 1.00 0.00 N ATOM 649 CA ARG A 47 9.506 2.267 -2.686 1.00 0.00 C ATOM 650 C ARG A 47 9.197 3.526 -3.478 1.00 0.00 C ATOM 651 O ARG A 47 9.112 3.477 -4.703 1.00 0.00 O ATOM 652 CB ARG A 47 10.987 1.869 -2.738 1.00 0.00 C ATOM 653 CG ARG A 47 11.962 3.047 -2.704 1.00 0.00 C ATOM 654 CD ARG A 47 13.382 2.579 -2.364 1.00 0.00 C ATOM 655 NE ARG A 47 13.960 1.785 -3.458 1.00 0.00 N ATOM 656 CZ ARG A 47 14.579 2.256 -4.547 1.00 0.00 C ATOM 657 NH1 ARG A 47 14.717 3.563 -4.769 1.00 0.00 N ATOM 658 NH2 ARG A 47 15.047 1.370 -5.412 1.00 0.00 N ATOM 0 H ARG A 47 8.619 1.191 -4.219 1.00 0.00 H new ATOM 0 HA ARG A 47 9.266 2.478 -1.644 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.203 1.211 -1.897 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.164 1.293 -3.647 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.963 3.550 -3.671 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.630 3.777 -1.966 1.00 0.00 H new ATOM 0 HD2 ARG A 47 14.015 3.444 -2.166 1.00 0.00 H new ATOM 0 HD3 ARG A 47 13.362 1.984 -1.451 1.00 0.00 H new ATOM 0 HE ARG A 47 13.881 0.771 -3.379 1.00 0.00 H new ATOM 0 HH11 ARG A 47 14.345 4.236 -4.099 1.00 0.00 H new ATOM 0 HH12 ARG A 47 15.194 3.890 -5.609 1.00 0.00 H new ATOM 0 HH21 ARG A 47 14.929 0.373 -5.235 1.00 0.00 H new ATOM 0 HH22 ARG A 47 15.526 1.685 -6.256 1.00 0.00 H new ATOM 672 N PHE A 48 9.046 4.665 -2.811 1.00 0.00 N ATOM 673 CA PHE A 48 8.968 5.952 -3.486 1.00 0.00 C ATOM 674 C PHE A 48 9.552 7.037 -2.593 1.00 0.00 C ATOM 675 O PHE A 48 9.307 7.017 -1.386 1.00 0.00 O ATOM 676 CB PHE A 48 7.519 6.245 -3.897 1.00 0.00 C ATOM 677 CG PHE A 48 6.469 6.123 -2.807 1.00 0.00 C ATOM 678 CD1 PHE A 48 6.130 7.236 -2.020 1.00 0.00 C ATOM 679 CD2 PHE A 48 5.795 4.906 -2.615 1.00 0.00 C ATOM 680 CE1 PHE A 48 5.152 7.116 -1.017 1.00 0.00 C ATOM 681 CE2 PHE A 48 4.779 4.804 -1.650 1.00 0.00 C ATOM 682 CZ PHE A 48 4.470 5.905 -0.838 1.00 0.00 C ATOM 0 H PHE A 48 8.975 4.721 -1.795 1.00 0.00 H new ATOM 0 HA PHE A 48 9.560 5.929 -4.401 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.476 7.257 -4.300 1.00 0.00 H new ATOM 0 HB3 PHE A 48 7.250 5.567 -4.707 1.00 0.00 H new ATOM 0 HD1 PHE A 48 6.621 8.184 -2.185 1.00 0.00 H new ATOM 0 HD2 PHE A 48 6.059 4.045 -3.211 1.00 0.00 H new ATOM 0 HE1 PHE A 48 4.926 7.960 -0.382 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.236 3.878 -1.533 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.709 5.820 -0.077 1.00 0.00 H new ATOM 692 N HIS A 49 10.304 7.985 -3.161 1.00 0.00 N ATOM 693 CA HIS A 49 10.678 9.253 -2.548 1.00 0.00 C ATOM 694 C HIS A 49 9.421 10.094 -2.317 1.00 0.00 C ATOM 695 O HIS A 49 9.077 10.979 -3.100 1.00 0.00 O ATOM 696 CB HIS A 49 11.746 9.942 -3.410 1.00 0.00 C ATOM 697 CG HIS A 49 12.298 11.220 -2.828 1.00 0.00 C ATOM 698 ND1 HIS A 49 12.310 12.432 -3.477 1.00 0.00 N ATOM 699 CD2 HIS A 49 12.850 11.402 -1.584 1.00 0.00 C ATOM 700 CE1 HIS A 49 12.790 13.347 -2.623 1.00 0.00 C ATOM 701 NE2 HIS A 49 13.184 12.760 -1.477 1.00 0.00 N ATOM 0 H HIS A 49 10.683 7.880 -4.102 1.00 0.00 H new ATOM 0 HA HIS A 49 11.130 9.102 -1.568 1.00 0.00 H new ATOM 0 HB2 HIS A 49 12.570 9.246 -3.569 1.00 0.00 H new ATOM 0 HB3 HIS A 49 11.319 10.159 -4.389 1.00 0.00 H new ATOM 0 HD2 HIS A 49 12.999 10.643 -0.830 1.00 0.00 H new ATOM 0 HE1 HIS A 49 12.852 14.406 -2.826 1.00 0.00 H new ATOM 0 HE2 HIS A 49 13.637 13.215 -0.685 1.00 0.00 H new ATOM 709 N LEU A 50 8.760 9.811 -1.195 1.00 0.00 N ATOM 710 CA LEU A 50 7.528 10.412 -0.704 1.00 0.00 C ATOM 711 C LEU A 50 7.609 11.927 -0.779 1.00 0.00 C ATOM 712 O LEU A 50 6.656 12.571 -1.217 1.00 0.00 O ATOM 713 CB LEU A 50 7.306 9.872 0.721 1.00 0.00 C ATOM 714 CG LEU A 50 6.331 10.624 1.645 1.00 0.00 C ATOM 715 CD1 LEU A 50 6.916 11.944 2.160 1.00 0.00 C ATOM 716 CD2 LEU A 50 4.927 10.785 1.066 1.00 0.00 C ATOM 0 H LEU A 50 9.105 9.095 -0.555 1.00 0.00 H new ATOM 0 HA LEU A 50 6.668 10.145 -1.318 1.00 0.00 H new ATOM 0 HB2 LEU A 50 6.956 8.843 0.635 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.275 9.838 1.218 1.00 0.00 H new ATOM 0 HG LEU A 50 6.202 9.979 2.514 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.190 12.436 2.807 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.827 11.743 2.724 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.148 12.593 1.316 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.300 11.324 1.776 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.981 11.344 0.132 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.497 9.802 0.876 1.00 0.00 H new ATOM 728 N ALA A 51 8.759 12.483 -0.397 1.00 0.00 N ATOM 729 CA ALA A 51 8.963 13.916 -0.349 1.00 0.00 C ATOM 730 C ALA A 51 8.758 14.584 -1.712 1.00 0.00 C ATOM 731 O ALA A 51 8.342 15.736 -1.747 1.00 0.00 O ATOM 732 CB ALA A 51 10.345 14.177 0.225 1.00 0.00 C ATOM 0 H ALA A 51 9.575 11.941 -0.112 1.00 0.00 H new ATOM 0 HA ALA A 51 8.210 14.368 0.297 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.523 15.251 0.271 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.408 13.755 1.228 1.00 0.00 H new ATOM 0 HB3 ALA A 51 11.097 13.712 -0.412 1.00 0.00 H new ATOM 738 N SER A 52 8.937 13.865 -2.822 1.00 0.00 N ATOM 739 CA SER A 52 8.722 14.364 -4.171 1.00 0.00 C ATOM 740 C SER A 52 7.514 13.691 -4.844 1.00 0.00 C ATOM 741 O SER A 52 7.413 13.775 -6.073 1.00 0.00 O ATOM 742 CB SER A 52 10.022 14.188 -4.968 1.00 0.00 C ATOM 743 OG SER A 52 9.936 14.756 -6.258 1.00 0.00 O ATOM 0 H SER A 52 9.244 12.893 -2.801 1.00 0.00 H new ATOM 0 HA SER A 52 8.474 15.425 -4.136 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.846 14.650 -4.423 1.00 0.00 H new ATOM 0 HB3 SER A 52 10.253 13.126 -5.055 1.00 0.00 H new ATOM 0 HG SER A 52 9.039 14.605 -6.623 1.00 0.00 H new ATOM 749 N ALA A 53 6.641 12.980 -4.114 1.00 0.00 N ATOM 750 CA ALA A 53 5.555 12.213 -4.721 1.00 0.00 C ATOM 751 C ALA A 53 4.719 13.081 -5.665 1.00 0.00 C ATOM 752 O ALA A 53 4.533 12.710 -6.814 1.00 0.00 O ATOM 753 CB ALA A 53 4.679 11.577 -3.642 1.00 0.00 C ATOM 0 H ALA A 53 6.671 12.924 -3.096 1.00 0.00 H new ATOM 0 HA ALA A 53 5.999 11.415 -5.317 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.876 11.010 -4.113 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.284 10.909 -3.029 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.251 12.358 -3.013 1.00 0.00 H new ATOM 759 N ASP A 54 4.245 14.239 -5.202 1.00 0.00 N ATOM 760 CA ASP A 54 3.493 15.268 -5.941 1.00 0.00 C ATOM 761 C ASP A 54 2.024 14.885 -6.160 1.00 0.00 C ATOM 762 O ASP A 54 1.151 15.725 -5.961 1.00 0.00 O ATOM 763 CB ASP A 54 4.216 15.692 -7.237 1.00 0.00 C ATOM 764 CG ASP A 54 3.563 16.855 -7.987 1.00 0.00 C ATOM 765 OD1 ASP A 54 2.462 16.682 -8.545 1.00 0.00 O ATOM 766 OD2 ASP A 54 4.211 17.916 -8.170 1.00 0.00 O ATOM 0 H ASP A 54 4.385 14.507 -4.228 1.00 0.00 H new ATOM 0 HA ASP A 54 3.465 16.155 -5.308 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.241 15.968 -6.990 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.269 14.832 -7.905 1.00 0.00 H new ATOM 771 N TRP A 55 1.717 13.616 -6.441 1.00 0.00 N ATOM 772 CA TRP A 55 0.345 13.091 -6.451 1.00 0.00 C ATOM 773 C TRP A 55 -0.245 12.954 -5.031 1.00 0.00 C ATOM 774 O TRP A 55 -1.431 12.657 -4.873 1.00 0.00 O ATOM 775 CB TRP A 55 0.327 11.765 -7.232 1.00 0.00 C ATOM 776 CG TRP A 55 1.325 10.730 -6.808 1.00 0.00 C ATOM 777 CD1 TRP A 55 2.599 10.634 -7.244 1.00 0.00 C ATOM 778 CD2 TRP A 55 1.175 9.678 -5.817 1.00 0.00 C ATOM 779 NE1 TRP A 55 3.261 9.631 -6.571 1.00 0.00 N ATOM 780 CE2 TRP A 55 2.440 9.048 -5.630 1.00 0.00 C ATOM 781 CE3 TRP A 55 0.102 9.225 -5.025 1.00 0.00 C ATOM 782 CZ2 TRP A 55 2.635 8.062 -4.654 1.00 0.00 C ATOM 783 CZ3 TRP A 55 0.294 8.243 -4.036 1.00 0.00 C ATOM 784 CH2 TRP A 55 1.560 7.666 -3.844 1.00 0.00 C ATOM 0 H TRP A 55 2.421 12.914 -6.671 1.00 0.00 H new ATOM 0 HA TRP A 55 -0.305 13.805 -6.956 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -0.670 11.333 -7.149 1.00 0.00 H new ATOM 0 HB3 TRP A 55 0.491 11.987 -8.286 1.00 0.00 H new ATOM 0 HD1 TRP A 55 3.037 11.255 -8.011 1.00 0.00 H new ATOM 0 HE1 TRP A 55 4.228 9.357 -6.745 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -0.884 9.638 -5.179 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 3.607 7.609 -4.526 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -0.537 7.931 -3.421 1.00 0.00 H new ATOM 0 HH2 TRP A 55 1.705 6.921 -3.076 1.00 0.00 H new ATOM 795 N ILE A 56 0.567 13.149 -3.989 1.00 0.00 N ATOM 796 CA ILE A 56 0.169 13.180 -2.571 1.00 0.00 C ATOM 797 C ILE A 56 -0.016 14.641 -2.130 1.00 0.00 C ATOM 798 O ILE A 56 0.786 15.505 -2.485 1.00 0.00 O ATOM 799 CB ILE A 56 1.243 12.452 -1.718 1.00 0.00 C ATOM 800 CG1 ILE A 56 1.393 10.977 -2.154 1.00 0.00 C ATOM 801 CG2 ILE A 56 0.928 12.501 -0.211 1.00 0.00 C ATOM 802 CD1 ILE A 56 2.515 10.243 -1.412 1.00 0.00 C ATOM 0 H ILE A 56 1.569 13.297 -4.112 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.779 12.661 -2.429 1.00 0.00 H new ATOM 0 HB ILE A 56 2.179 12.984 -1.890 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.451 10.456 -1.983 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.588 10.939 -3.226 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.709 11.978 0.341 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.884 13.539 0.118 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.032 12.020 -0.024 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.570 9.212 -1.763 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.465 10.742 -1.603 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.310 10.252 -0.342 1.00 0.00 H new ATOM 814 N GLU A 57 -1.045 14.884 -1.315 1.00 0.00 N ATOM 815 CA GLU A 57 -1.343 16.138 -0.620 1.00 0.00 C ATOM 816 C GLU A 57 -0.115 16.577 0.168 1.00 0.00 C ATOM 817 O GLU A 57 0.498 15.767 0.860 1.00 0.00 O ATOM 818 CB GLU A 57 -2.543 15.969 0.350 1.00 0.00 C ATOM 819 CG GLU A 57 -3.564 14.935 -0.077 1.00 0.00 C ATOM 820 CD GLU A 57 -4.879 14.927 0.717 1.00 0.00 C ATOM 821 OE1 GLU A 57 -4.912 15.184 1.940 1.00 0.00 O ATOM 822 OE2 GLU A 57 -5.925 14.581 0.118 1.00 0.00 O ATOM 0 H GLU A 57 -1.737 14.163 -1.110 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.606 16.891 -1.363 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.161 15.697 1.334 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.044 16.931 0.457 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.798 15.096 -1.129 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.108 13.948 0.001 1.00 0.00 H new ATOM 829 N GLU A 58 0.200 17.868 0.162 1.00 0.00 N ATOM 830 CA GLU A 58 1.234 18.407 1.030 1.00 0.00 C ATOM 831 C GLU A 58 1.059 18.025 2.513 1.00 0.00 C ATOM 832 O GLU A 58 2.056 17.660 3.151 1.00 0.00 O ATOM 833 CB GLU A 58 1.291 19.929 0.889 1.00 0.00 C ATOM 834 CG GLU A 58 2.734 20.411 1.100 1.00 0.00 C ATOM 835 CD GLU A 58 3.460 20.696 -0.208 1.00 0.00 C ATOM 836 OE1 GLU A 58 3.187 20.037 -1.232 1.00 0.00 O ATOM 837 OE2 GLU A 58 4.351 21.574 -0.219 1.00 0.00 O ATOM 0 H GLU A 58 -0.249 18.560 -0.437 1.00 0.00 H new ATOM 0 HA GLU A 58 2.173 17.958 0.705 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.938 20.227 -0.098 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.630 20.397 1.618 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.725 21.315 1.709 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.286 19.656 1.659 1.00 0.00 H new ATOM 844 N PRO A 59 -0.155 18.072 3.106 1.00 0.00 N ATOM 845 CA PRO A 59 -0.288 17.765 4.524 1.00 0.00 C ATOM 846 C PRO A 59 -0.165 16.263 4.794 1.00 0.00 C ATOM 847 O PRO A 59 0.188 15.871 5.908 1.00 0.00 O ATOM 848 CB PRO A 59 -1.634 18.348 4.929 1.00 0.00 C ATOM 849 CG PRO A 59 -2.477 18.214 3.665 1.00 0.00 C ATOM 850 CD PRO A 59 -1.465 18.418 2.540 1.00 0.00 C ATOM 0 HA PRO A 59 0.514 18.200 5.121 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.073 17.801 5.764 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -1.543 19.388 5.242 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -2.955 17.236 3.603 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -3.271 18.960 3.631 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -1.700 17.785 1.684 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -1.477 19.449 2.186 1.00 0.00 H new ATOM 858 N VAL A 60 -0.385 15.431 3.775 1.00 0.00 N ATOM 859 CA VAL A 60 -0.215 13.992 3.838 1.00 0.00 C ATOM 860 C VAL A 60 1.258 13.640 3.642 1.00 0.00 C ATOM 861 O VAL A 60 1.758 12.789 4.376 1.00 0.00 O ATOM 862 CB VAL A 60 -1.142 13.336 2.802 1.00 0.00 C ATOM 863 CG1 VAL A 60 -0.927 11.831 2.657 1.00 0.00 C ATOM 864 CG2 VAL A 60 -2.600 13.542 3.214 1.00 0.00 C ATOM 0 H VAL A 60 -0.695 15.757 2.860 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.498 13.604 4.817 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.907 13.812 1.850 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.615 11.436 1.910 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.099 11.639 2.344 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.112 11.343 3.614 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.255 13.076 2.478 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.770 13.088 4.190 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.816 14.609 3.268 1.00 0.00 H new ATOM 874 N ARG A 61 1.980 14.294 2.716 1.00 0.00 N ATOM 875 CA ARG A 61 3.408 14.040 2.519 1.00 0.00 C ATOM 876 C ARG A 61 4.111 14.145 3.861 1.00 0.00 C ATOM 877 O ARG A 61 4.726 13.184 4.312 1.00 0.00 O ATOM 878 CB ARG A 61 4.083 14.977 1.492 1.00 0.00 C ATOM 879 CG ARG A 61 3.806 14.649 0.018 1.00 0.00 C ATOM 880 CD ARG A 61 4.894 15.205 -0.922 1.00 0.00 C ATOM 881 NE ARG A 61 4.710 16.629 -1.260 1.00 0.00 N ATOM 882 CZ ARG A 61 5.174 17.215 -2.375 1.00 0.00 C ATOM 883 NH1 ARG A 61 6.090 16.617 -3.130 1.00 0.00 N ATOM 884 NH2 ARG A 61 4.689 18.382 -2.748 1.00 0.00 N ATOM 0 H ARG A 61 1.592 15.003 2.094 1.00 0.00 H new ATOM 0 HA ARG A 61 3.498 13.037 2.101 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.755 15.998 1.687 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.160 14.952 1.656 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.741 13.568 -0.105 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.838 15.061 -0.267 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.869 15.074 -0.453 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.902 14.620 -1.842 1.00 0.00 H new ATOM 0 HE ARG A 61 4.193 17.210 -0.599 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.450 15.700 -2.865 1.00 0.00 H new ATOM 0 HH12 ARG A 61 6.433 17.075 -3.974 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.965 18.835 -2.190 1.00 0.00 H new ATOM 0 HH22 ARG A 61 5.038 18.832 -3.594 1.00 0.00 H new ATOM 898 N GLN A 62 3.975 15.291 4.521 1.00 0.00 N ATOM 899 CA GLN A 62 4.696 15.527 5.762 1.00 0.00 C ATOM 900 C GLN A 62 4.198 14.619 6.896 1.00 0.00 C ATOM 901 O GLN A 62 4.941 14.423 7.851 1.00 0.00 O ATOM 902 CB GLN A 62 4.666 17.014 6.130 1.00 0.00 C ATOM 903 CG GLN A 62 3.322 17.418 6.725 1.00 0.00 C ATOM 904 CD GLN A 62 3.124 18.926 6.678 1.00 0.00 C ATOM 905 OE1 GLN A 62 3.450 19.635 7.626 1.00 0.00 O ATOM 906 NE2 GLN A 62 2.630 19.457 5.576 1.00 0.00 N ATOM 0 H GLN A 62 3.379 16.062 4.220 1.00 0.00 H new ATOM 0 HA GLN A 62 5.740 15.257 5.606 1.00 0.00 H new ATOM 0 HB2 GLN A 62 5.460 17.229 6.845 1.00 0.00 H new ATOM 0 HB3 GLN A 62 4.866 17.613 5.242 1.00 0.00 H new ATOM 0 HG2 GLN A 62 2.518 16.927 6.177 1.00 0.00 H new ATOM 0 HG3 GLN A 62 3.261 17.074 7.757 1.00 0.00 H new ATOM 0 HE21 GLN A 62 2.363 18.857 4.796 1.00 0.00 H new ATOM 0 HE22 GLN A 62 2.515 20.468 5.504 1.00 0.00 H new ATOM 915 N LYS A 63 2.991 14.032 6.817 1.00 0.00 N ATOM 916 CA LYS A 63 2.590 13.002 7.754 1.00 0.00 C ATOM 917 C LYS A 63 3.484 11.789 7.544 1.00 0.00 C ATOM 918 O LYS A 63 4.306 11.510 8.390 1.00 0.00 O ATOM 919 CB LYS A 63 1.100 12.659 7.615 1.00 0.00 C ATOM 920 CG LYS A 63 0.300 12.903 8.901 1.00 0.00 C ATOM 921 CD LYS A 63 -0.105 14.371 9.023 1.00 0.00 C ATOM 922 CE LYS A 63 -0.962 14.627 10.265 1.00 0.00 C ATOM 923 NZ LYS A 63 -1.340 16.053 10.352 1.00 0.00 N ATOM 0 H LYS A 63 2.289 14.261 6.113 1.00 0.00 H new ATOM 0 HA LYS A 63 2.714 13.363 8.775 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.671 13.255 6.809 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.000 11.613 7.326 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.591 12.275 8.904 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.897 12.614 9.766 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.790 14.992 9.066 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.658 14.670 8.133 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.859 14.009 10.228 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.411 14.336 11.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.921 16.207 11.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.481 16.637 10.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.884 16.320 9.507 1.00 0.00 H new ATOM 937 N ILE A 64 3.405 11.091 6.417 1.00 0.00 N ATOM 938 CA ILE A 64 4.158 9.895 6.070 1.00 0.00 C ATOM 939 C ILE A 64 5.680 10.132 6.137 1.00 0.00 C ATOM 940 O ILE A 64 6.428 9.173 6.346 1.00 0.00 O ATOM 941 CB ILE A 64 3.608 9.374 4.716 1.00 0.00 C ATOM 942 CG1 ILE A 64 2.177 8.781 4.813 1.00 0.00 C ATOM 943 CG2 ILE A 64 4.444 8.250 4.131 1.00 0.00 C ATOM 944 CD1 ILE A 64 1.077 9.802 4.567 1.00 0.00 C ATOM 0 H ILE A 64 2.768 11.367 5.670 1.00 0.00 H new ATOM 0 HA ILE A 64 4.015 9.101 6.803 1.00 0.00 H new ATOM 0 HB ILE A 64 3.627 10.267 4.092 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.078 7.972 4.090 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.040 8.343 5.802 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.009 7.928 3.185 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.461 8.603 3.962 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.463 7.411 4.826 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.105 9.317 4.651 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.149 10.600 5.306 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.188 10.222 3.567 1.00 0.00 H new ATOM 956 N ALA A 65 6.155 11.378 6.046 1.00 0.00 N ATOM 957 CA ALA A 65 7.542 11.742 6.297 1.00 0.00 C ATOM 958 C ALA A 65 7.955 11.424 7.743 1.00 0.00 C ATOM 959 O ALA A 65 9.091 11.026 8.009 1.00 0.00 O ATOM 960 CB ALA A 65 7.701 13.241 6.017 1.00 0.00 C ATOM 0 H ALA A 65 5.570 12.173 5.790 1.00 0.00 H new ATOM 0 HA ALA A 65 8.191 11.160 5.642 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.734 13.537 6.199 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.442 13.447 4.978 1.00 0.00 H new ATOM 0 HB3 ALA A 65 7.040 13.806 6.675 1.00 0.00 H new ATOM 966 N LEU A 66 7.063 11.692 8.691 1.00 0.00 N ATOM 967 CA LEU A 66 7.256 11.575 10.131 1.00 0.00 C ATOM 968 C LEU A 66 6.606 10.288 10.648 1.00 0.00 C ATOM 969 O LEU A 66 7.272 9.411 11.190 1.00 0.00 O ATOM 970 CB LEU A 66 6.642 12.822 10.802 1.00 0.00 C ATOM 971 CG LEU A 66 7.164 14.164 10.248 1.00 0.00 C ATOM 972 CD1 LEU A 66 6.318 15.332 10.746 1.00 0.00 C ATOM 973 CD2 LEU A 66 8.636 14.392 10.589 1.00 0.00 C ATOM 0 H LEU A 66 6.125 12.018 8.458 1.00 0.00 H new ATOM 0 HA LEU A 66 8.318 11.522 10.371 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.559 12.789 10.681 1.00 0.00 H new ATOM 0 HB3 LEU A 66 6.844 12.781 11.872 1.00 0.00 H new ATOM 0 HG LEU A 66 7.080 14.110 9.163 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.710 16.264 10.339 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.286 15.199 10.420 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.353 15.368 11.835 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.960 15.348 10.179 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.762 14.400 11.672 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.237 13.591 10.160 1.00 0.00 H new ATOM 985 N THR A 67 5.294 10.148 10.460 1.00 0.00 N ATOM 986 CA THR A 67 4.449 9.142 11.086 1.00 0.00 C ATOM 987 C THR A 67 4.838 7.731 10.632 1.00 0.00 C ATOM 988 O THR A 67 4.682 6.766 11.379 1.00 0.00 O ATOM 989 CB THR A 67 2.993 9.476 10.706 1.00 0.00 C ATOM 990 OG1 THR A 67 2.713 10.841 10.979 1.00 0.00 O ATOM 991 CG2 THR A 67 1.996 8.592 11.445 1.00 0.00 C ATOM 0 H THR A 67 4.771 10.764 9.837 1.00 0.00 H new ATOM 0 HA THR A 67 4.572 9.156 12.169 1.00 0.00 H new ATOM 0 HB THR A 67 2.885 9.286 9.638 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.744 10.970 11.042 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.982 8.860 11.148 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.182 7.547 11.197 1.00 0.00 H new ATOM 0 HG23 THR A 67 2.109 8.735 12.520 1.00 0.00 H new ATOM 999 N HIS A 68 5.391 7.608 9.426 1.00 0.00 N ATOM 1000 CA HIS A 68 5.819 6.346 8.840 1.00 0.00 C ATOM 1001 C HIS A 68 7.332 6.410 8.607 1.00 0.00 C ATOM 1002 O HIS A 68 7.877 5.830 7.668 1.00 0.00 O ATOM 1003 CB HIS A 68 4.959 6.024 7.611 1.00 0.00 C ATOM 1004 CG HIS A 68 3.485 5.888 7.941 1.00 0.00 C ATOM 1005 ND1 HIS A 68 2.830 4.733 8.303 1.00 0.00 N ATOM 1006 CD2 HIS A 68 2.555 6.891 7.978 1.00 0.00 C ATOM 1007 CE1 HIS A 68 1.538 5.033 8.527 1.00 0.00 C ATOM 1008 NE2 HIS A 68 1.328 6.344 8.335 1.00 0.00 N ATOM 0 H HIS A 68 5.557 8.408 8.815 1.00 0.00 H new ATOM 0 HA HIS A 68 5.658 5.499 9.507 1.00 0.00 H new ATOM 0 HB2 HIS A 68 5.089 6.810 6.867 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.312 5.097 7.160 1.00 0.00 H new ATOM 0 HD2 HIS A 68 2.743 7.933 7.765 1.00 0.00 H new ATOM 0 HE1 HIS A 68 0.780 4.322 8.819 1.00 0.00 H new ATOM 0 HE2 HIS A 68 0.443 6.841 8.432 1.00 0.00 H new ATOM 1016 N LYS A 69 8.054 7.116 9.486 1.00 0.00 N ATOM 1017 CA LYS A 69 9.512 7.161 9.485 1.00 0.00 C ATOM 1018 C LYS A 69 10.150 5.778 9.587 1.00 0.00 C ATOM 1019 O LYS A 69 11.247 5.552 9.088 1.00 0.00 O ATOM 1020 CB LYS A 69 9.941 8.039 10.662 1.00 0.00 C ATOM 1021 CG LYS A 69 11.452 8.066 10.882 1.00 0.00 C ATOM 1022 CD LYS A 69 12.148 8.625 9.624 1.00 0.00 C ATOM 1023 CE LYS A 69 13.144 9.707 10.000 1.00 0.00 C ATOM 1024 NZ LYS A 69 14.421 9.124 10.470 1.00 0.00 N ATOM 0 H LYS A 69 7.632 7.678 10.225 1.00 0.00 H new ATOM 0 HA LYS A 69 9.854 7.573 8.535 1.00 0.00 H new ATOM 0 HB2 LYS A 69 9.588 9.056 10.494 1.00 0.00 H new ATOM 0 HB3 LYS A 69 9.456 7.679 11.569 1.00 0.00 H new ATOM 0 HG2 LYS A 69 11.693 8.683 11.748 1.00 0.00 H new ATOM 0 HG3 LYS A 69 11.817 7.061 11.096 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.660 7.820 9.097 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.403 9.031 8.940 1.00 0.00 H new ATOM 0 HE2 LYS A 69 13.330 10.348 9.138 1.00 0.00 H new ATOM 0 HE3 LYS A 69 12.721 10.338 10.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 15.081 9.888 10.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 14.245 8.532 11.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 14.836 8.542 9.715 1.00 0.00 H new ATOM 1038 N ASN A 70 9.469 4.859 10.249 1.00 0.00 N ATOM 1039 CA ASN A 70 9.865 3.466 10.312 1.00 0.00 C ATOM 1040 C ASN A 70 9.969 2.826 8.923 1.00 0.00 C ATOM 1041 O ASN A 70 10.951 2.145 8.625 1.00 0.00 O ATOM 1042 CB ASN A 70 8.902 2.719 11.234 1.00 0.00 C ATOM 1043 CG ASN A 70 7.426 3.062 11.049 1.00 0.00 C ATOM 1044 OD1 ASN A 70 6.980 3.316 9.937 1.00 0.00 O ATOM 1045 ND2 ASN A 70 6.639 3.095 12.102 1.00 0.00 N ATOM 0 H ASN A 70 8.613 5.064 10.765 1.00 0.00 H new ATOM 0 HA ASN A 70 10.870 3.400 10.729 1.00 0.00 H new ATOM 0 HB2 ASN A 70 9.032 1.648 11.078 1.00 0.00 H new ATOM 0 HB3 ASN A 70 9.180 2.926 12.267 1.00 0.00 H new ATOM 0 HD21 ASN A 70 5.653 3.333 11.994 1.00 0.00 H new ATOM 0 HD22 ASN A 70 7.015 2.883 13.026 1.00 0.00 H new ATOM 1052 N LYS A 71 8.973 3.058 8.070 1.00 0.00 N ATOM 1053 CA LYS A 71 8.919 2.603 6.688 1.00 0.00 C ATOM 1054 C LYS A 71 9.925 3.361 5.824 1.00 0.00 C ATOM 1055 O LYS A 71 10.449 2.801 4.858 1.00 0.00 O ATOM 1056 CB LYS A 71 7.490 2.801 6.174 1.00 0.00 C ATOM 1057 CG LYS A 71 6.355 1.958 6.775 1.00 0.00 C ATOM 1058 CD LYS A 71 6.245 0.497 6.314 1.00 0.00 C ATOM 1059 CE LYS A 71 4.775 0.026 6.355 1.00 0.00 C ATOM 1060 NZ LYS A 71 4.474 -0.957 7.419 1.00 0.00 N ATOM 0 H LYS A 71 8.147 3.592 8.338 1.00 0.00 H new ATOM 0 HA LYS A 71 9.186 1.548 6.634 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.232 3.850 6.318 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.500 2.620 5.099 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.469 1.962 7.859 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.411 2.455 6.552 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.636 0.399 5.301 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.855 -0.140 6.955 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.132 0.896 6.489 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.520 -0.413 5.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.468 -1.219 7.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.059 -1.806 7.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.683 -0.538 8.348 1.00 0.00 H new ATOM 1074 N ILE A 72 10.222 4.625 6.140 1.00 0.00 N ATOM 1075 CA ILE A 72 11.292 5.347 5.456 1.00 0.00 C ATOM 1076 C ILE A 72 12.610 4.604 5.646 1.00 0.00 C ATOM 1077 O ILE A 72 12.852 4.024 6.700 1.00 0.00 O ATOM 1078 CB ILE A 72 11.377 6.799 5.957 1.00 0.00 C ATOM 1079 CG1 ILE A 72 10.268 7.633 5.309 1.00 0.00 C ATOM 1080 CG2 ILE A 72 12.732 7.500 5.714 1.00 0.00 C ATOM 1081 CD1 ILE A 72 10.006 8.940 6.066 1.00 0.00 C ATOM 0 H ILE A 72 9.739 5.163 6.859 1.00 0.00 H new ATOM 0 HA ILE A 72 11.075 5.391 4.389 1.00 0.00 H new ATOM 0 HB ILE A 72 11.260 6.734 7.039 1.00 0.00 H new ATOM 0 HG12 ILE A 72 10.542 7.861 4.279 1.00 0.00 H new ATOM 0 HG13 ILE A 72 9.350 7.047 5.272 1.00 0.00 H new ATOM 0 HG21 ILE A 72 12.690 8.518 6.103 1.00 0.00 H new ATOM 0 HG22 ILE A 72 13.523 6.949 6.223 1.00 0.00 H new ATOM 0 HG23 ILE A 72 12.940 7.528 4.644 1.00 0.00 H new ATOM 0 HD11 ILE A 72 9.212 9.496 5.568 1.00 0.00 H new ATOM 0 HD12 ILE A 72 9.704 8.714 7.089 1.00 0.00 H new ATOM 0 HD13 ILE A 72 10.915 9.541 6.080 1.00 0.00 H new ATOM 1093 N ASN A 73 13.477 4.670 4.639 1.00 0.00 N ATOM 1094 CA ASN A 73 14.899 4.373 4.765 1.00 0.00 C ATOM 1095 C ASN A 73 15.565 5.426 5.662 1.00 0.00 C ATOM 1096 O ASN A 73 15.452 5.351 6.885 1.00 0.00 O ATOM 1097 CB ASN A 73 15.546 4.219 3.377 1.00 0.00 C ATOM 1098 CG ASN A 73 15.318 5.339 2.362 1.00 0.00 C ATOM 1099 OD1 ASN A 73 14.899 6.456 2.667 1.00 0.00 O ATOM 1100 ND2 ASN A 73 15.645 5.085 1.116 1.00 0.00 N ATOM 0 H ASN A 73 13.204 4.937 3.693 1.00 0.00 H new ATOM 0 HA ASN A 73 15.046 3.412 5.257 1.00 0.00 H new ATOM 0 HB2 ASN A 73 16.621 4.107 3.518 1.00 0.00 H new ATOM 0 HB3 ASN A 73 15.183 3.289 2.939 1.00 0.00 H new ATOM 0 HD21 ASN A 73 15.551 5.811 0.406 1.00 0.00 H new ATOM 0 HD22 ASN A 73 15.993 4.161 0.858 1.00 0.00 H new ATOM 1107 N LYS A 74 16.188 6.460 5.090 1.00 0.00 N ATOM 1108 CA LYS A 74 16.518 7.692 5.799 1.00 0.00 C ATOM 1109 C LYS A 74 16.319 8.914 4.920 1.00 0.00 C ATOM 1110 O LYS A 74 16.038 9.980 5.464 1.00 0.00 O ATOM 1111 CB LYS A 74 17.951 7.624 6.348 1.00 0.00 C ATOM 1112 CG LYS A 74 18.201 8.666 7.457 1.00 0.00 C ATOM 1113 CD LYS A 74 19.094 9.828 7.006 1.00 0.00 C ATOM 1114 CE LYS A 74 19.100 10.928 8.076 1.00 0.00 C ATOM 1115 NZ LYS A 74 20.290 11.790 7.950 1.00 0.00 N ATOM 0 H LYS A 74 16.479 6.462 4.112 1.00 0.00 H new ATOM 0 HA LYS A 74 15.833 7.792 6.641 1.00 0.00 H new ATOM 0 HB2 LYS A 74 18.140 6.625 6.741 1.00 0.00 H new ATOM 0 HB3 LYS A 74 18.658 7.786 5.534 1.00 0.00 H new ATOM 0 HG2 LYS A 74 17.244 9.063 7.796 1.00 0.00 H new ATOM 0 HG3 LYS A 74 18.663 8.173 8.312 1.00 0.00 H new ATOM 0 HD2 LYS A 74 20.109 9.472 6.833 1.00 0.00 H new ATOM 0 HD3 LYS A 74 18.732 10.231 6.060 1.00 0.00 H new ATOM 0 HE2 LYS A 74 18.198 11.533 7.984 1.00 0.00 H new ATOM 0 HE3 LYS A 74 19.080 10.475 9.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 20.267 12.524 8.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 21.149 11.215 8.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 20.295 12.240 7.013 1.00 0.00 H new ATOM 1129 N ALA A 75 16.419 8.794 3.591 1.00 0.00 N ATOM 1130 CA ALA A 75 16.324 9.961 2.720 1.00 0.00 C ATOM 1131 C ALA A 75 14.891 10.462 2.540 1.00 0.00 C ATOM 1132 O ALA A 75 14.689 11.514 1.930 1.00 0.00 O ATOM 1133 CB ALA A 75 16.892 9.608 1.351 1.00 0.00 C ATOM 0 H ALA A 75 16.564 7.910 3.104 1.00 0.00 H new ATOM 0 HA ALA A 75 16.891 10.760 3.196 1.00 0.00 H new ATOM 0 HB1 ALA A 75 16.824 10.475 0.694 1.00 0.00 H new ATOM 0 HB2 ALA A 75 17.936 9.312 1.455 1.00 0.00 H new ATOM 0 HB3 ALA A 75 16.323 8.783 0.922 1.00 0.00 H new ATOM 1139 N GLY A 76 13.888 9.712 2.999 1.00 0.00 N ATOM 1140 CA GLY A 76 12.501 10.006 2.677 1.00 0.00 C ATOM 1141 C GLY A 76 12.005 9.192 1.493 1.00 0.00 C ATOM 1142 O GLY A 76 11.009 9.585 0.884 1.00 0.00 O ATOM 0 H GLY A 76 14.017 8.895 3.596 1.00 0.00 H new ATOM 0 HA2 GLY A 76 11.876 9.800 3.546 1.00 0.00 H new ATOM 0 HA3 GLY A 76 12.398 11.068 2.455 1.00 0.00 H new ATOM 1146 N GLU A 77 12.666 8.081 1.140 1.00 0.00 N ATOM 1147 CA GLU A 77 11.984 7.052 0.373 1.00 0.00 C ATOM 1148 C GLU A 77 11.266 6.181 1.378 1.00 0.00 C ATOM 1149 O GLU A 77 11.889 5.613 2.274 1.00 0.00 O ATOM 1150 CB GLU A 77 12.872 6.258 -0.586 1.00 0.00 C ATOM 1151 CG GLU A 77 13.687 7.219 -1.457 1.00 0.00 C ATOM 1152 CD GLU A 77 14.017 6.765 -2.877 1.00 0.00 C ATOM 1153 OE1 GLU A 77 13.564 5.705 -3.357 1.00 0.00 O ATOM 1154 OE2 GLU A 77 14.690 7.579 -3.560 1.00 0.00 O ATOM 0 H GLU A 77 13.640 7.883 1.368 1.00 0.00 H new ATOM 0 HA GLU A 77 11.284 7.524 -0.316 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.541 5.608 -0.022 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.258 5.614 -1.216 1.00 0.00 H new ATOM 0 HG2 GLU A 77 13.142 8.161 -1.522 1.00 0.00 H new ATOM 0 HG3 GLU A 77 14.625 7.428 -0.943 1.00 0.00 H new ATOM 1161 N LEU A 78 9.943 6.170 1.274 1.00 0.00 N ATOM 1162 CA LEU A 78 9.070 5.277 2.002 1.00 0.00 C ATOM 1163 C LEU A 78 9.243 3.934 1.327 1.00 0.00 C ATOM 1164 O LEU A 78 9.130 3.888 0.097 1.00 0.00 O ATOM 1165 CB LEU A 78 7.624 5.781 1.854 1.00 0.00 C ATOM 1166 CG LEU A 78 6.618 5.054 2.763 1.00 0.00 C ATOM 1167 CD1 LEU A 78 6.778 5.548 4.198 1.00 0.00 C ATOM 1168 CD2 LEU A 78 5.188 5.355 2.307 1.00 0.00 C ATOM 0 H LEU A 78 9.438 6.807 0.658 1.00 0.00 H new ATOM 0 HA LEU A 78 9.296 5.218 3.067 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.596 6.848 2.077 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.313 5.664 0.816 1.00 0.00 H new ATOM 0 HG LEU A 78 6.807 3.982 2.707 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.065 5.033 4.842 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.792 5.343 4.542 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.592 6.621 4.236 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.482 4.836 2.956 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.008 6.429 2.360 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.054 5.015 1.280 1.00 0.00 H new ATOM 1180 N VAL A 79 9.536 2.878 2.078 1.00 0.00 N ATOM 1181 CA VAL A 79 9.619 1.528 1.552 1.00 0.00 C ATOM 1182 C VAL A 79 8.696 0.664 2.406 1.00 0.00 C ATOM 1183 O VAL A 79 8.834 0.641 3.634 1.00 0.00 O ATOM 1184 CB VAL A 79 11.089 1.050 1.514 1.00 0.00 C ATOM 1185 CG1 VAL A 79 11.201 -0.276 0.740 1.00 0.00 C ATOM 1186 CG2 VAL A 79 12.039 2.131 0.956 1.00 0.00 C ATOM 0 H VAL A 79 9.724 2.940 3.079 1.00 0.00 H new ATOM 0 HA VAL A 79 9.286 1.465 0.516 1.00 0.00 H new ATOM 0 HB VAL A 79 11.410 0.869 2.540 1.00 0.00 H new ATOM 0 HG11 VAL A 79 12.242 -0.600 0.722 1.00 0.00 H new ATOM 0 HG12 VAL A 79 10.593 -1.036 1.231 1.00 0.00 H new ATOM 0 HG13 VAL A 79 10.848 -0.132 -0.281 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.060 1.749 0.949 1.00 0.00 H new ATOM 0 HG22 VAL A 79 11.740 2.388 -0.060 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.988 3.020 1.585 1.00 0.00 H new ATOM 1196 N LEU A 80 7.751 -0.042 1.789 1.00 0.00 N ATOM 1197 CA LEU A 80 6.967 -1.079 2.445 1.00 0.00 C ATOM 1198 C LEU A 80 6.966 -2.334 1.581 1.00 0.00 C ATOM 1199 O LEU A 80 7.274 -2.283 0.387 1.00 0.00 O ATOM 1200 CB LEU A 80 5.549 -0.595 2.819 1.00 0.00 C ATOM 1201 CG LEU A 80 4.464 -0.505 1.731 1.00 0.00 C ATOM 1202 CD1 LEU A 80 3.283 0.304 2.278 1.00 0.00 C ATOM 1203 CD2 LEU A 80 4.890 0.195 0.445 1.00 0.00 C ATOM 0 H LEU A 80 7.507 0.094 0.808 1.00 0.00 H new ATOM 0 HA LEU A 80 7.435 -1.327 3.398 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.174 -1.257 3.599 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.649 0.396 3.262 1.00 0.00 H new ATOM 0 HG LEU A 80 4.226 -1.540 1.485 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.507 0.375 1.516 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.880 -0.192 3.161 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.621 1.305 2.546 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.056 0.206 -0.257 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.189 1.219 0.670 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.730 -0.339 0.001 1.00 0.00 H new ATOM 1215 N THR A 81 6.609 -3.467 2.173 1.00 0.00 N ATOM 1216 CA THR A 81 6.400 -4.701 1.440 1.00 0.00 C ATOM 1217 C THR A 81 5.046 -5.259 1.860 1.00 0.00 C ATOM 1218 O THR A 81 4.636 -5.088 3.012 1.00 0.00 O ATOM 1219 CB THR A 81 7.596 -5.663 1.618 1.00 0.00 C ATOM 1220 OG1 THR A 81 7.596 -6.403 2.832 1.00 0.00 O ATOM 1221 CG2 THR A 81 8.967 -4.976 1.543 1.00 0.00 C ATOM 0 H THR A 81 6.457 -3.552 3.178 1.00 0.00 H new ATOM 0 HA THR A 81 6.365 -4.535 0.363 1.00 0.00 H new ATOM 0 HB THR A 81 7.450 -6.336 0.773 1.00 0.00 H new ATOM 0 HG1 THR A 81 8.519 -6.593 3.099 1.00 0.00 H new ATOM 0 HG21 THR A 81 9.754 -5.718 1.677 1.00 0.00 H new ATOM 0 HG22 THR A 81 9.082 -4.498 0.570 1.00 0.00 H new ATOM 0 HG23 THR A 81 9.040 -4.224 2.328 1.00 0.00 H new ATOM 1229 N SER A 82 4.345 -5.933 0.961 1.00 0.00 N ATOM 1230 CA SER A 82 3.144 -6.680 1.275 1.00 0.00 C ATOM 1231 C SER A 82 3.152 -7.947 0.423 1.00 0.00 C ATOM 1232 O SER A 82 3.650 -7.942 -0.708 1.00 0.00 O ATOM 1233 CB SER A 82 1.918 -5.788 1.039 1.00 0.00 C ATOM 1234 OG SER A 82 1.210 -5.583 2.239 1.00 0.00 O ATOM 0 H SER A 82 4.603 -5.975 -0.025 1.00 0.00 H new ATOM 0 HA SER A 82 3.104 -6.981 2.322 1.00 0.00 H new ATOM 0 HB2 SER A 82 2.234 -4.829 0.630 1.00 0.00 H new ATOM 0 HB3 SER A 82 1.264 -6.250 0.300 1.00 0.00 H new ATOM 0 HG SER A 82 0.469 -6.222 2.295 1.00 0.00 H new ATOM 1240 N GLU A 83 2.627 -9.042 0.963 1.00 0.00 N ATOM 1241 CA GLU A 83 2.485 -10.309 0.263 1.00 0.00 C ATOM 1242 C GLU A 83 1.507 -11.215 1.000 1.00 0.00 C ATOM 1243 O GLU A 83 1.246 -11.042 2.192 1.00 0.00 O ATOM 1244 CB GLU A 83 3.854 -10.982 0.055 1.00 0.00 C ATOM 1245 CG GLU A 83 4.723 -11.177 1.309 1.00 0.00 C ATOM 1246 CD GLU A 83 4.722 -12.607 1.850 1.00 0.00 C ATOM 1247 OE1 GLU A 83 3.648 -13.115 2.243 1.00 0.00 O ATOM 1248 OE2 GLU A 83 5.825 -13.171 2.008 1.00 0.00 O ATOM 0 H GLU A 83 2.281 -9.071 1.922 1.00 0.00 H new ATOM 0 HA GLU A 83 2.073 -10.117 -0.728 1.00 0.00 H new ATOM 0 HB2 GLU A 83 3.688 -11.959 -0.400 1.00 0.00 H new ATOM 0 HB3 GLU A 83 4.420 -10.388 -0.663 1.00 0.00 H new ATOM 0 HG2 GLU A 83 5.748 -10.888 1.077 1.00 0.00 H new ATOM 0 HG3 GLU A 83 4.371 -10.504 2.091 1.00 0.00 H new ATOM 1255 N SER A 84 0.927 -12.180 0.291 1.00 0.00 N ATOM 1256 CA SER A 84 0.064 -13.215 0.847 1.00 0.00 C ATOM 1257 C SER A 84 -0.113 -14.412 -0.096 1.00 0.00 C ATOM 1258 O SER A 84 -0.597 -15.445 0.376 1.00 0.00 O ATOM 1259 CB SER A 84 -1.330 -12.627 1.134 1.00 0.00 C ATOM 1260 OG SER A 84 -1.286 -11.631 2.141 1.00 0.00 O ATOM 0 H SER A 84 1.049 -12.265 -0.718 1.00 0.00 H new ATOM 0 HA SER A 84 0.547 -13.566 1.759 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.739 -12.200 0.219 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.004 -13.426 1.443 1.00 0.00 H new ATOM 0 HG SER A 84 -0.386 -11.595 2.527 1.00 0.00 H new ATOM 1266 N SER A 85 0.200 -14.304 -1.398 1.00 0.00 N ATOM 1267 CA SER A 85 -0.196 -15.303 -2.383 1.00 0.00 C ATOM 1268 C SER A 85 0.844 -15.461 -3.497 1.00 0.00 C ATOM 1269 O SER A 85 1.919 -14.857 -3.494 1.00 0.00 O ATOM 1270 CB SER A 85 -1.595 -14.959 -2.933 1.00 0.00 C ATOM 1271 OG SER A 85 -2.218 -16.109 -3.492 1.00 0.00 O ATOM 0 H SER A 85 0.731 -13.525 -1.787 1.00 0.00 H new ATOM 0 HA SER A 85 -0.248 -16.274 -1.891 1.00 0.00 H new ATOM 0 HB2 SER A 85 -2.216 -14.557 -2.132 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.511 -14.181 -3.692 1.00 0.00 H new ATOM 0 HG SER A 85 -2.650 -15.868 -4.338 1.00 0.00 H new ATOM 1277 N ARG A 86 0.506 -16.339 -4.439 1.00 0.00 N ATOM 1278 CA ARG A 86 1.335 -16.825 -5.533 1.00 0.00 C ATOM 1279 C ARG A 86 1.336 -15.926 -6.772 1.00 0.00 C ATOM 1280 O ARG A 86 2.163 -16.170 -7.650 1.00 0.00 O ATOM 1281 CB ARG A 86 0.852 -18.242 -5.897 1.00 0.00 C ATOM 1282 CG ARG A 86 -0.579 -18.263 -6.483 1.00 0.00 C ATOM 1283 CD ARG A 86 -0.604 -18.473 -8.000 1.00 0.00 C ATOM 1284 NE ARG A 86 -0.385 -19.885 -8.357 1.00 0.00 N ATOM 1285 CZ ARG A 86 -0.424 -20.372 -9.603 1.00 0.00 C ATOM 1286 NH1 ARG A 86 -0.538 -19.550 -10.639 1.00 0.00 N ATOM 1287 NH2 ARG A 86 -0.359 -21.682 -9.811 1.00 0.00 N ATOM 0 H ARG A 86 -0.424 -16.758 -4.456 1.00 0.00 H new ATOM 0 HA ARG A 86 2.369 -16.827 -5.188 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.541 -18.680 -6.620 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.883 -18.870 -5.007 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -1.150 -19.057 -6.003 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.077 -17.323 -6.244 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.563 -18.141 -8.398 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.165 -17.856 -8.466 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.189 -20.539 -7.599 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.596 -18.543 -10.487 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.567 -19.925 -11.587 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -0.279 -22.321 -9.020 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -0.389 -22.049 -10.762 1.00 0.00 H new ATOM 1301 N TYR A 87 0.419 -14.959 -6.894 1.00 0.00 N ATOM 1302 CA TYR A 87 0.421 -14.018 -8.005 1.00 0.00 C ATOM 1303 C TYR A 87 1.543 -12.992 -7.817 1.00 0.00 C ATOM 1304 O TYR A 87 2.227 -13.002 -6.790 1.00 0.00 O ATOM 1305 CB TYR A 87 -0.935 -13.313 -8.044 1.00 0.00 C ATOM 1306 CG TYR A 87 -2.137 -14.230 -7.916 1.00 0.00 C ATOM 1307 CD1 TYR A 87 -2.616 -14.906 -9.050 1.00 0.00 C ATOM 1308 CD2 TYR A 87 -2.757 -14.428 -6.666 1.00 0.00 C ATOM 1309 CE1 TYR A 87 -3.703 -15.788 -8.945 1.00 0.00 C ATOM 1310 CE2 TYR A 87 -3.857 -15.295 -6.551 1.00 0.00 C ATOM 1311 CZ TYR A 87 -4.336 -15.972 -7.696 1.00 0.00 C ATOM 1312 OH TYR A 87 -5.429 -16.775 -7.621 1.00 0.00 O ATOM 0 H TYR A 87 -0.338 -14.813 -6.226 1.00 0.00 H new ATOM 0 HA TYR A 87 0.591 -14.546 -8.943 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -0.969 -12.579 -7.239 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -1.015 -12.762 -8.981 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -2.145 -14.746 -10.009 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.385 -13.912 -5.793 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -4.054 -16.323 -9.815 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -4.334 -15.443 -5.593 1.00 0.00 H new ATOM 0 HH TYR A 87 -5.752 -16.803 -6.696 1.00 0.00 H new ATOM 1322 N GLN A 88 1.689 -12.064 -8.763 1.00 0.00 N ATOM 1323 CA GLN A 88 2.650 -10.976 -8.677 1.00 0.00 C ATOM 1324 C GLN A 88 1.901 -9.707 -8.266 1.00 0.00 C ATOM 1325 O GLN A 88 2.104 -9.196 -7.163 1.00 0.00 O ATOM 1326 CB GLN A 88 3.401 -10.805 -10.010 1.00 0.00 C ATOM 1327 CG GLN A 88 4.187 -12.047 -10.470 1.00 0.00 C ATOM 1328 CD GLN A 88 3.341 -13.203 -10.997 1.00 0.00 C ATOM 1329 OE1 GLN A 88 3.234 -14.269 -10.400 1.00 0.00 O ATOM 1330 NE2 GLN A 88 2.740 -13.066 -12.168 1.00 0.00 N ATOM 0 H GLN A 88 1.134 -12.051 -9.619 1.00 0.00 H new ATOM 0 HA GLN A 88 3.408 -11.196 -7.926 1.00 0.00 H new ATOM 0 HB2 GLN A 88 2.682 -10.539 -10.785 1.00 0.00 H new ATOM 0 HB3 GLN A 88 4.093 -9.968 -9.917 1.00 0.00 H new ATOM 0 HG2 GLN A 88 4.885 -11.745 -11.251 1.00 0.00 H new ATOM 0 HG3 GLN A 88 4.783 -12.409 -9.632 1.00 0.00 H new ATOM 0 HE21 GLN A 88 2.816 -12.188 -12.681 1.00 0.00 H new ATOM 0 HE22 GLN A 88 2.200 -13.839 -12.558 1.00 0.00 H new ATOM 1339 N PHE A 89 1.001 -9.215 -9.128 1.00 0.00 N ATOM 1340 CA PHE A 89 0.249 -7.992 -8.870 1.00 0.00 C ATOM 1341 C PHE A 89 -0.592 -8.114 -7.589 1.00 0.00 C ATOM 1342 O PHE A 89 -0.722 -7.118 -6.900 1.00 0.00 O ATOM 1343 CB PHE A 89 -0.575 -7.566 -10.094 1.00 0.00 C ATOM 1344 CG PHE A 89 -1.541 -6.429 -9.816 1.00 0.00 C ATOM 1345 CD1 PHE A 89 -1.077 -5.100 -9.798 1.00 0.00 C ATOM 1346 CD2 PHE A 89 -2.894 -6.699 -9.536 1.00 0.00 C ATOM 1347 CE1 PHE A 89 -1.954 -4.047 -9.481 1.00 0.00 C ATOM 1348 CE2 PHE A 89 -3.772 -5.645 -9.228 1.00 0.00 C ATOM 1349 CZ PHE A 89 -3.300 -4.322 -9.188 1.00 0.00 C ATOM 0 H PHE A 89 0.778 -9.657 -10.020 1.00 0.00 H new ATOM 0 HA PHE A 89 0.963 -7.187 -8.693 1.00 0.00 H new ATOM 0 HB2 PHE A 89 0.105 -7.266 -10.892 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.136 -8.426 -10.460 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.043 -4.888 -10.029 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.257 -7.716 -9.558 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.593 -3.029 -9.463 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.812 -5.853 -9.022 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.972 -3.516 -8.932 1.00 0.00 H new ATOM 1359 N ARG A 90 -1.115 -9.283 -7.191 1.00 0.00 N ATOM 1360 CA ARG A 90 -1.920 -9.395 -5.961 1.00 0.00 C ATOM 1361 C ARG A 90 -1.160 -8.934 -4.718 1.00 0.00 C ATOM 1362 O ARG A 90 -1.663 -8.131 -3.936 1.00 0.00 O ATOM 1363 CB ARG A 90 -2.397 -10.839 -5.744 1.00 0.00 C ATOM 1364 CG ARG A 90 -3.642 -10.914 -4.861 1.00 0.00 C ATOM 1365 CD ARG A 90 -4.883 -10.587 -5.692 1.00 0.00 C ATOM 1366 NE ARG A 90 -5.721 -9.544 -5.061 1.00 0.00 N ATOM 1367 CZ ARG A 90 -6.648 -9.719 -4.111 1.00 0.00 C ATOM 1368 NH1 ARG A 90 -6.957 -10.935 -3.671 1.00 0.00 N ATOM 1369 NH2 ARG A 90 -7.290 -8.671 -3.621 1.00 0.00 N ATOM 0 H ARG A 90 -0.997 -10.160 -7.698 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.777 -8.737 -6.102 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.611 -11.297 -6.710 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.595 -11.419 -5.287 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.734 -11.911 -4.429 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.554 -10.214 -4.031 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.576 -10.253 -6.683 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.475 -11.492 -5.829 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.577 -8.588 -5.385 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.485 -11.752 -4.058 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.666 -11.050 -2.947 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -7.078 -7.735 -3.967 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.997 -8.799 -2.897 1.00 0.00 H new ATOM 1383 N ASN A 91 0.046 -9.467 -4.517 1.00 0.00 N ATOM 1384 CA ASN A 91 0.907 -9.113 -3.389 1.00 0.00 C ATOM 1385 C ASN A 91 1.121 -7.604 -3.395 1.00 0.00 C ATOM 1386 O ASN A 91 0.892 -6.910 -2.405 1.00 0.00 O ATOM 1387 CB ASN A 91 2.257 -9.835 -3.530 1.00 0.00 C ATOM 1388 CG ASN A 91 2.194 -11.322 -3.231 1.00 0.00 C ATOM 1389 OD1 ASN A 91 1.342 -11.803 -2.486 1.00 0.00 O ATOM 1390 ND2 ASN A 91 3.024 -12.113 -3.870 1.00 0.00 N ATOM 0 H ASN A 91 0.456 -10.163 -5.139 1.00 0.00 H new ATOM 0 HA ASN A 91 0.442 -9.414 -2.451 1.00 0.00 H new ATOM 0 HB2 ASN A 91 2.629 -9.694 -4.545 1.00 0.00 H new ATOM 0 HB3 ASN A 91 2.979 -9.370 -2.858 1.00 0.00 H new ATOM 0 HD21 ASN A 91 2.961 -13.124 -3.748 1.00 0.00 H new ATOM 0 HD22 ASN A 91 3.732 -11.717 -4.489 1.00 0.00 H new ATOM 1397 N LEU A 92 1.528 -7.122 -4.564 1.00 0.00 N ATOM 1398 CA LEU A 92 1.836 -5.743 -4.871 1.00 0.00 C ATOM 1399 C LEU A 92 0.618 -4.831 -4.654 1.00 0.00 C ATOM 1400 O LEU A 92 0.756 -3.705 -4.186 1.00 0.00 O ATOM 1401 CB LEU A 92 2.357 -5.780 -6.315 1.00 0.00 C ATOM 1402 CG LEU A 92 2.932 -4.502 -6.918 1.00 0.00 C ATOM 1403 CD1 LEU A 92 1.894 -3.630 -7.602 1.00 0.00 C ATOM 1404 CD2 LEU A 92 3.741 -3.691 -5.916 1.00 0.00 C ATOM 0 H LEU A 92 1.658 -7.731 -5.372 1.00 0.00 H new ATOM 0 HA LEU A 92 2.587 -5.310 -4.210 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.129 -6.547 -6.368 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.537 -6.108 -6.954 1.00 0.00 H new ATOM 0 HG LEU A 92 3.613 -4.849 -7.695 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.376 -2.740 -8.006 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.426 -4.189 -8.412 1.00 0.00 H new ATOM 0 HD13 LEU A 92 1.134 -3.334 -6.879 1.00 0.00 H new ATOM 0 HD21 LEU A 92 4.125 -2.793 -6.400 1.00 0.00 H new ATOM 0 HD22 LEU A 92 3.104 -3.407 -5.079 1.00 0.00 H new ATOM 0 HD23 LEU A 92 4.574 -4.291 -5.550 1.00 0.00 H new ATOM 1416 N ALA A 93 -0.591 -5.316 -4.921 1.00 0.00 N ATOM 1417 CA ALA A 93 -1.836 -4.583 -4.801 1.00 0.00 C ATOM 1418 C ALA A 93 -2.238 -4.367 -3.343 1.00 0.00 C ATOM 1419 O ALA A 93 -2.955 -3.401 -3.075 1.00 0.00 O ATOM 1420 CB ALA A 93 -2.936 -5.308 -5.573 1.00 0.00 C ATOM 0 H ALA A 93 -0.730 -6.274 -5.241 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.689 -3.593 -5.233 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -3.871 -4.755 -5.481 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -2.657 -5.377 -6.625 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -3.066 -6.311 -5.165 1.00 0.00 H new ATOM 1426 N GLU A 94 -1.783 -5.190 -2.390 1.00 0.00 N ATOM 1427 CA GLU A 94 -1.903 -4.844 -0.991 1.00 0.00 C ATOM 1428 C GLU A 94 -0.896 -3.753 -0.644 1.00 0.00 C ATOM 1429 O GLU A 94 -1.254 -2.847 0.094 1.00 0.00 O ATOM 1430 CB GLU A 94 -1.724 -6.053 -0.072 1.00 0.00 C ATOM 1431 CG GLU A 94 -2.320 -5.686 1.285 1.00 0.00 C ATOM 1432 CD GLU A 94 -2.150 -6.783 2.325 1.00 0.00 C ATOM 1433 OE1 GLU A 94 -1.056 -6.876 2.928 1.00 0.00 O ATOM 1434 OE2 GLU A 94 -3.126 -7.522 2.587 1.00 0.00 O ATOM 0 H GLU A 94 -1.335 -6.088 -2.571 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.915 -4.474 -0.828 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -2.224 -6.928 -0.487 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -0.669 -6.306 0.028 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.848 -4.773 1.648 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.381 -5.470 1.163 1.00 0.00 H new ATOM 1441 N CYS A 95 0.322 -3.760 -1.201 1.00 0.00 N ATOM 1442 CA CYS A 95 1.233 -2.624 -1.027 1.00 0.00 C ATOM 1443 C CYS A 95 0.496 -1.333 -1.413 1.00 0.00 C ATOM 1444 O CYS A 95 0.506 -0.362 -0.655 1.00 0.00 O ATOM 1445 CB CYS A 95 2.515 -2.805 -1.860 1.00 0.00 C ATOM 1446 SG CYS A 95 3.955 -3.108 -0.806 1.00 0.00 S ATOM 0 H CYS A 95 0.693 -4.524 -1.765 1.00 0.00 H new ATOM 0 HA CYS A 95 1.541 -2.565 0.017 1.00 0.00 H new ATOM 0 HB2 CYS A 95 2.387 -3.639 -2.551 1.00 0.00 H new ATOM 0 HB3 CYS A 95 2.686 -1.914 -2.464 1.00 0.00 H new ATOM 0 HG CYS A 95 5.012 -3.257 -1.548 1.00 0.00 H new ATOM 1452 N LEU A 96 -0.198 -1.348 -2.556 1.00 0.00 N ATOM 1453 CA LEU A 96 -0.972 -0.203 -3.035 1.00 0.00 C ATOM 1454 C LEU A 96 -2.135 0.095 -2.096 1.00 0.00 C ATOM 1455 O LEU A 96 -2.418 1.261 -1.828 1.00 0.00 O ATOM 1456 CB LEU A 96 -1.490 -0.402 -4.469 1.00 0.00 C ATOM 1457 CG LEU A 96 -0.454 -0.853 -5.515 1.00 0.00 C ATOM 1458 CD1 LEU A 96 -0.959 -0.502 -6.919 1.00 0.00 C ATOM 1459 CD2 LEU A 96 0.956 -0.295 -5.310 1.00 0.00 C ATOM 0 H LEU A 96 -0.237 -2.158 -3.175 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.293 0.650 -3.048 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.292 -1.139 -4.443 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.930 0.536 -4.807 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.356 -1.931 -5.390 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.226 -0.821 -7.660 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.905 -1.010 -7.103 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.105 0.576 -6.994 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.613 -0.669 -6.095 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.926 0.794 -5.350 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.335 -0.612 -4.338 1.00 0.00 H new ATOM 1471 N GLN A 97 -2.804 -0.940 -1.581 1.00 0.00 N ATOM 1472 CA GLN A 97 -3.848 -0.792 -0.582 1.00 0.00 C ATOM 1473 C GLN A 97 -3.309 -0.020 0.621 1.00 0.00 C ATOM 1474 O GLN A 97 -3.971 0.917 1.066 1.00 0.00 O ATOM 1475 CB GLN A 97 -4.391 -2.171 -0.158 1.00 0.00 C ATOM 1476 CG GLN A 97 -5.676 -2.085 0.668 1.00 0.00 C ATOM 1477 CD GLN A 97 -6.834 -1.597 -0.184 1.00 0.00 C ATOM 1478 OE1 GLN A 97 -7.223 -2.248 -1.149 1.00 0.00 O ATOM 1479 NE2 GLN A 97 -7.354 -0.408 0.059 1.00 0.00 N ATOM 0 H GLN A 97 -2.630 -1.908 -1.852 1.00 0.00 H new ATOM 0 HA GLN A 97 -4.675 -0.227 -1.013 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -4.579 -2.770 -1.049 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -3.629 -2.692 0.421 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -5.912 -3.064 1.084 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -5.528 -1.409 1.510 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -7.033 0.135 0.860 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -8.077 -0.033 -0.555 1.00 0.00 H new ATOM 1488 N LYS A 98 -2.127 -0.370 1.146 1.00 0.00 N ATOM 1489 CA LYS A 98 -1.663 0.294 2.356 1.00 0.00 C ATOM 1490 C LYS A 98 -1.268 1.706 2.026 1.00 0.00 C ATOM 1491 O LYS A 98 -1.643 2.578 2.782 1.00 0.00 O ATOM 1492 CB LYS A 98 -0.506 -0.353 3.115 1.00 0.00 C ATOM 1493 CG LYS A 98 -0.487 -1.892 3.155 1.00 0.00 C ATOM 1494 CD LYS A 98 0.911 -2.514 3.067 1.00 0.00 C ATOM 1495 CE LYS A 98 1.083 -3.398 4.298 1.00 0.00 C ATOM 1496 NZ LYS A 98 2.365 -4.117 4.357 1.00 0.00 N ATOM 0 H LYS A 98 -1.502 -1.080 0.766 1.00 0.00 H new ATOM 0 HA LYS A 98 -2.517 0.221 3.030 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.428 -0.012 2.669 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.523 0.015 4.141 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -0.961 -2.224 4.078 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.092 -2.272 2.332 1.00 0.00 H new ATOM 0 HD2 LYS A 98 1.016 -3.100 2.154 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.677 -1.739 3.038 1.00 0.00 H new ATOM 0 HE2 LYS A 98 0.986 -2.780 5.190 1.00 0.00 H new ATOM 0 HE3 LYS A 98 0.271 -4.125 4.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.474 -4.556 5.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 2.383 -4.855 3.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 3.145 -3.449 4.195 1.00 0.00 H new ATOM 1510 N ILE A 99 -0.580 1.963 0.910 1.00 0.00 N ATOM 1511 CA ILE A 99 -0.286 3.315 0.462 1.00 0.00 C ATOM 1512 C ILE A 99 -1.531 4.197 0.586 1.00 0.00 C ATOM 1513 O ILE A 99 -1.430 5.302 1.122 1.00 0.00 O ATOM 1514 CB ILE A 99 0.319 3.254 -0.957 1.00 0.00 C ATOM 1515 CG1 ILE A 99 1.744 2.670 -0.837 1.00 0.00 C ATOM 1516 CG2 ILE A 99 0.356 4.614 -1.669 1.00 0.00 C ATOM 1517 CD1 ILE A 99 2.271 2.067 -2.140 1.00 0.00 C ATOM 0 H ILE A 99 -0.214 1.235 0.296 1.00 0.00 H new ATOM 0 HA ILE A 99 0.463 3.787 1.098 1.00 0.00 H new ATOM 0 HB ILE A 99 -0.321 2.622 -1.573 1.00 0.00 H new ATOM 0 HG12 ILE A 99 2.424 3.457 -0.510 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.749 1.902 -0.063 1.00 0.00 H new ATOM 0 HG21 ILE A 99 0.793 4.494 -2.660 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -0.658 5.002 -1.764 1.00 0.00 H new ATOM 0 HG23 ILE A 99 0.959 5.312 -1.088 1.00 0.00 H new ATOM 0 HD11 ILE A 99 3.276 1.677 -1.980 1.00 0.00 H new ATOM 0 HD12 ILE A 99 1.614 1.258 -2.458 1.00 0.00 H new ATOM 0 HD13 ILE A 99 2.299 2.836 -2.912 1.00 0.00 H new ATOM 1529 N ARG A 100 -2.702 3.698 0.168 1.00 0.00 N ATOM 1530 CA ARG A 100 -3.966 4.407 0.304 1.00 0.00 C ATOM 1531 C ARG A 100 -4.363 4.546 1.763 1.00 0.00 C ATOM 1532 O ARG A 100 -4.756 5.633 2.156 1.00 0.00 O ATOM 1533 CB ARG A 100 -5.072 3.697 -0.483 1.00 0.00 C ATOM 1534 CG ARG A 100 -4.759 3.725 -1.979 1.00 0.00 C ATOM 1535 CD ARG A 100 -5.879 3.184 -2.857 1.00 0.00 C ATOM 1536 NE ARG A 100 -6.226 1.772 -2.618 1.00 0.00 N ATOM 1537 CZ ARG A 100 -7.038 1.070 -3.420 1.00 0.00 C ATOM 1538 NH1 ARG A 100 -7.385 1.541 -4.612 1.00 0.00 N ATOM 1539 NH2 ARG A 100 -7.493 -0.119 -3.049 1.00 0.00 N ATOM 0 H ARG A 100 -2.791 2.784 -0.276 1.00 0.00 H new ATOM 0 HA ARG A 100 -3.832 5.407 -0.108 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -5.165 2.666 -0.143 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -6.030 4.182 -0.296 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -4.543 4.751 -2.275 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -3.855 3.144 -2.161 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -6.769 3.793 -2.702 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -5.591 3.301 -3.902 1.00 0.00 H new ATOM 0 HE ARG A 100 -5.829 1.306 -1.802 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -7.033 2.446 -4.925 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -8.004 0.998 -5.214 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -7.225 -0.508 -2.145 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -8.111 -0.644 -3.668 1.00 0.00 H new ATOM 1553 N ASP A 101 -4.263 3.484 2.563 1.00 0.00 N ATOM 1554 CA ASP A 101 -4.516 3.523 4.005 1.00 0.00 C ATOM 1555 C ASP A 101 -3.704 4.606 4.708 1.00 0.00 C ATOM 1556 O ASP A 101 -4.270 5.411 5.446 1.00 0.00 O ATOM 1557 CB ASP A 101 -4.348 2.136 4.657 1.00 0.00 C ATOM 1558 CG ASP A 101 -3.137 1.835 5.547 1.00 0.00 C ATOM 1559 OD1 ASP A 101 -2.842 2.596 6.492 1.00 0.00 O ATOM 1560 OD2 ASP A 101 -2.593 0.720 5.393 1.00 0.00 O ATOM 0 H ASP A 101 -4.000 2.559 2.223 1.00 0.00 H new ATOM 0 HA ASP A 101 -5.562 3.801 4.135 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -5.240 1.952 5.255 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -4.346 1.401 3.852 1.00 0.00 H new ATOM 1565 N MET A 102 -2.407 4.664 4.416 1.00 0.00 N ATOM 1566 CA MET A 102 -1.446 5.542 5.058 1.00 0.00 C ATOM 1567 C MET A 102 -1.771 6.994 4.697 1.00 0.00 C ATOM 1568 O MET A 102 -1.609 7.909 5.501 1.00 0.00 O ATOM 1569 CB MET A 102 -0.024 5.127 4.629 1.00 0.00 C ATOM 1570 CG MET A 102 0.258 3.648 5.009 1.00 0.00 C ATOM 1571 SD MET A 102 1.880 3.188 5.666 1.00 0.00 S ATOM 1572 CE MET A 102 2.891 3.645 4.256 1.00 0.00 C ATOM 0 H MET A 102 -1.985 4.076 3.697 1.00 0.00 H new ATOM 0 HA MET A 102 -1.500 5.458 6.143 1.00 0.00 H new ATOM 0 HB2 MET A 102 0.089 5.258 3.553 1.00 0.00 H new ATOM 0 HB3 MET A 102 0.709 5.776 5.108 1.00 0.00 H new ATOM 0 HG2 MET A 102 -0.488 3.353 5.747 1.00 0.00 H new ATOM 0 HG3 MET A 102 0.083 3.044 4.119 1.00 0.00 H new ATOM 0 HE1 MET A 102 3.896 3.242 4.383 1.00 0.00 H new ATOM 0 HE2 MET A 102 2.450 3.240 3.345 1.00 0.00 H new ATOM 0 HE3 MET A 102 2.942 4.731 4.182 1.00 0.00 H new ATOM 1582 N ILE A 103 -2.259 7.209 3.474 1.00 0.00 N ATOM 1583 CA ILE A 103 -2.650 8.501 2.937 1.00 0.00 C ATOM 1584 C ILE A 103 -3.972 8.891 3.584 1.00 0.00 C ATOM 1585 O ILE A 103 -4.066 9.974 4.148 1.00 0.00 O ATOM 1586 CB ILE A 103 -2.653 8.404 1.391 1.00 0.00 C ATOM 1587 CG1 ILE A 103 -1.171 8.480 0.960 1.00 0.00 C ATOM 1588 CG2 ILE A 103 -3.511 9.449 0.657 1.00 0.00 C ATOM 1589 CD1 ILE A 103 -0.887 7.995 -0.456 1.00 0.00 C ATOM 0 H ILE A 103 -2.396 6.450 2.806 1.00 0.00 H new ATOM 0 HA ILE A 103 -1.954 9.306 3.173 1.00 0.00 H new ATOM 0 HB ILE A 103 -3.131 7.467 1.104 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -0.835 9.513 1.048 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -0.575 7.890 1.656 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -3.440 9.288 -0.419 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -4.550 9.351 0.970 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -3.152 10.449 0.899 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.179 8.087 -0.665 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -1.186 6.951 -0.550 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -1.450 8.599 -1.167 1.00 0.00 H new ATOM 1601 N ALA A 104 -4.966 8.007 3.579 1.00 0.00 N ATOM 1602 CA ALA A 104 -6.264 8.217 4.187 1.00 0.00 C ATOM 1603 C ALA A 104 -6.132 8.564 5.670 1.00 0.00 C ATOM 1604 O ALA A 104 -6.852 9.445 6.141 1.00 0.00 O ATOM 1605 CB ALA A 104 -7.101 6.951 3.988 1.00 0.00 C ATOM 0 H ALA A 104 -4.880 7.093 3.134 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.759 9.063 3.710 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -8.083 7.090 4.440 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -7.216 6.755 2.922 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -6.600 6.106 4.461 1.00 0.00 H new ATOM 1611 N GLU A 105 -5.224 7.905 6.394 1.00 0.00 N ATOM 1612 CA GLU A 105 -5.066 8.095 7.834 1.00 0.00 C ATOM 1613 C GLU A 105 -4.345 9.394 8.174 1.00 0.00 C ATOM 1614 O GLU A 105 -4.363 9.854 9.318 1.00 0.00 O ATOM 1615 CB GLU A 105 -4.358 6.889 8.466 1.00 0.00 C ATOM 1616 CG GLU A 105 -2.818 6.910 8.557 1.00 0.00 C ATOM 1617 CD GLU A 105 -2.309 6.162 9.795 1.00 0.00 C ATOM 1618 OE1 GLU A 105 -2.211 4.910 9.816 1.00 0.00 O ATOM 1619 OE2 GLU A 105 -2.115 6.835 10.836 1.00 0.00 O ATOM 0 H GLU A 105 -4.578 7.224 5.996 1.00 0.00 H new ATOM 0 HA GLU A 105 -6.067 8.172 8.259 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -4.749 6.766 9.476 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -4.646 6.002 7.902 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -2.395 6.458 7.660 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -2.470 7.943 8.588 1.00 0.00 H new ATOM 1626 N ALA A 106 -3.630 9.944 7.196 1.00 0.00 N ATOM 1627 CA ALA A 106 -2.950 11.216 7.309 1.00 0.00 C ATOM 1628 C ALA A 106 -3.858 12.356 6.828 1.00 0.00 C ATOM 1629 O ALA A 106 -3.718 13.500 7.268 1.00 0.00 O ATOM 1630 CB ALA A 106 -1.686 11.137 6.456 1.00 0.00 C ATOM 0 H ALA A 106 -3.509 9.502 6.285 1.00 0.00 H new ATOM 0 HA ALA A 106 -2.694 11.422 8.348 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -1.146 12.082 6.517 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -1.050 10.331 6.822 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -1.959 10.942 5.419 1.00 0.00 H new ATOM 1636 N SER A 107 -4.767 12.043 5.904 1.00 0.00 N ATOM 1637 CA SER A 107 -5.568 13.007 5.140 1.00 0.00 C ATOM 1638 C SER A 107 -6.840 13.399 5.897 1.00 0.00 C ATOM 1639 O SER A 107 -7.561 14.321 5.511 1.00 0.00 O ATOM 1640 CB SER A 107 -5.899 12.381 3.776 1.00 0.00 C ATOM 1641 OG SER A 107 -6.532 13.273 2.886 1.00 0.00 O ATOM 0 H SER A 107 -4.975 11.076 5.656 1.00 0.00 H new ATOM 0 HA SER A 107 -4.999 13.926 4.995 1.00 0.00 H new ATOM 0 HB2 SER A 107 -4.979 12.017 3.319 1.00 0.00 H new ATOM 0 HB3 SER A 107 -6.543 11.515 3.929 1.00 0.00 H new ATOM 0 HG SER A 107 -6.013 14.102 2.829 1.00 0.00 H new ATOM 1647 N GLY A 108 -7.154 12.693 6.971 1.00 0.00 N ATOM 1648 CA GLY A 108 -8.281 12.897 7.834 1.00 0.00 C ATOM 1649 C GLY A 108 -7.981 12.102 9.097 1.00 0.00 C ATOM 1650 O GLY A 108 -7.109 11.226 9.087 1.00 0.00 O ATOM 0 H GLY A 108 -6.579 11.908 7.275 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -8.415 13.955 8.060 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -9.202 12.552 7.364 1.00 0.00 H new ATOM 1654 N PRO A 109 -8.680 12.419 10.184 1.00 0.00 N ATOM 1655 CA PRO A 109 -8.436 11.840 11.483 1.00 0.00 C ATOM 1656 C PRO A 109 -8.886 10.382 11.460 1.00 0.00 C ATOM 1657 O PRO A 109 -10.079 10.090 11.338 1.00 0.00 O ATOM 1658 CB PRO A 109 -9.198 12.740 12.456 1.00 0.00 C ATOM 1659 CG PRO A 109 -10.324 13.340 11.619 1.00 0.00 C ATOM 1660 CD PRO A 109 -9.714 13.430 10.229 1.00 0.00 C ATOM 0 HA PRO A 109 -7.390 11.802 11.786 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -9.590 12.171 13.299 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -8.553 13.516 12.868 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -11.213 12.709 11.629 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -10.624 14.320 11.991 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -10.466 13.254 9.460 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -9.299 14.422 10.048 1.00 0.00 H new ATOM 1668 N SER A 110 -7.934 9.453 11.493 1.00 0.00 N ATOM 1669 CA SER A 110 -8.197 8.027 11.598 1.00 0.00 C ATOM 1670 C SER A 110 -7.001 7.376 12.304 1.00 0.00 C ATOM 1671 O SER A 110 -5.958 7.146 11.685 1.00 0.00 O ATOM 1672 CB SER A 110 -8.482 7.421 10.211 1.00 0.00 C ATOM 1673 OG SER A 110 -9.448 8.188 9.495 1.00 0.00 O ATOM 0 H SER A 110 -6.940 9.678 11.446 1.00 0.00 H new ATOM 0 HA SER A 110 -9.093 7.839 12.190 1.00 0.00 H new ATOM 0 HB2 SER A 110 -7.557 7.372 9.637 1.00 0.00 H new ATOM 0 HB3 SER A 110 -8.841 6.398 10.326 1.00 0.00 H new ATOM 0 HG SER A 110 -9.606 7.779 8.619 1.00 0.00 H new ATOM 1679 N SER A 111 -7.121 7.162 13.612 1.00 0.00 N ATOM 1680 CA SER A 111 -6.233 6.339 14.421 1.00 0.00 C ATOM 1681 C SER A 111 -7.118 5.650 15.458 1.00 0.00 C ATOM 1682 O SER A 111 -7.593 6.337 16.368 1.00 0.00 O ATOM 1683 CB SER A 111 -5.164 7.175 15.138 1.00 0.00 C ATOM 1684 OG SER A 111 -4.382 7.995 14.286 1.00 0.00 O ATOM 0 H SER A 111 -7.875 7.578 14.159 1.00 0.00 H new ATOM 0 HA SER A 111 -5.703 5.630 13.785 1.00 0.00 H new ATOM 0 HB2 SER A 111 -5.653 7.807 15.879 1.00 0.00 H new ATOM 0 HB3 SER A 111 -4.500 6.502 15.681 1.00 0.00 H new ATOM 0 HG SER A 111 -4.597 7.794 13.351 1.00 0.00 H new ATOM 1690 N GLY A 112 -7.366 4.345 15.320 1.00 0.00 N ATOM 1691 CA GLY A 112 -8.307 3.632 16.175 1.00 0.00 C ATOM 1692 C GLY A 112 -9.722 3.871 15.692 1.00 0.00 C ATOM 1693 O GLY A 112 -10.247 3.020 14.951 1.00 0.00 O ATOM 0 H GLY A 112 -6.920 3.759 14.614 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -8.085 2.565 16.165 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -8.203 3.969 17.206 1.00 0.00 H new TER 1697 GLY A 112