USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 760 hydrogens (30 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 73 MET CE :methyl 173:sc= -0.0544 (180deg=-0.127) USER MOD Set 1.2: A 75 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 68 GLN : amide:sc= 1.97 K(o=2.8,f=-0.2) USER MOD Set 2.2: A 69 GLN : amide:sc= 0.852 K(o=2.8,f=1.2) USER MOD Set 3.1: A 59 TYR OH : rot 180:sc= 0.265 USER MOD Set 3.2: A 63 LYS NZ :NH3+ -161:sc= 1.32 (180deg=1.02) USER MOD Set 4.1: A 26 GLN :FLIP amide:sc= -0.424 F(o=-1.5!,f=-0.36) USER MOD Set 4.2: A 48 THR OG1 : rot 180:sc= 0.0666 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.154 X(o=-0.15,f=-0.0035) USER MOD Single : A 43 GLN : amide:sc= 0.466 X(o=0.47,f=0) USER MOD Single : A 46 MET CE :methyl -175:sc= 0 (180deg=-0.0425) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -171:sc= -0.242 (180deg=-0.541) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0.649 K(o=0.65,f=-0.67) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0.4 X(o=0.4,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0.393 K(o=0.39,f=-3.4!) USER MOD Single : A 72 HIS : no HD1:sc= -0.27 K(o=-0.27,f=-0.99) USER MOD Single : A 76 CYS SG : rot 48:sc= 0.0896 USER MOD Single : A 88 GLN : amide:sc= 0.806 K(o=0.81,f=-4.4!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0.0444 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 23 16.067 5.240 8.763 1.00 0.00 N ATOM 2 CA GLN A 23 15.437 4.206 9.595 1.00 0.00 C ATOM 3 C GLN A 23 14.027 3.809 9.098 1.00 0.00 C ATOM 4 O GLN A 23 13.179 3.346 9.867 1.00 0.00 O ATOM 5 CB GLN A 23 15.457 4.628 11.079 1.00 0.00 C ATOM 6 CG GLN A 23 16.879 4.840 11.627 1.00 0.00 C ATOM 7 CD GLN A 23 16.870 5.135 13.126 1.00 0.00 C ATOM 8 OE1 GLN A 23 17.104 4.269 13.963 1.00 0.00 O ATOM 9 NE2 GLN A 23 16.592 6.357 13.536 1.00 0.00 N ATOM 0 HA GLN A 23 16.030 3.296 9.501 1.00 0.00 H new ATOM 0 HB2 GLN A 23 14.888 5.550 11.196 1.00 0.00 H new ATOM 0 HB3 GLN A 23 14.955 3.866 11.674 1.00 0.00 H new ATOM 0 HG2 GLN A 23 17.479 3.951 11.435 1.00 0.00 H new ATOM 0 HG3 GLN A 23 17.354 5.665 11.097 1.00 0.00 H new ATOM 0 HE21 GLN A 23 16.395 7.091 12.855 1.00 0.00 H new ATOM 0 HE22 GLN A 23 16.574 6.569 14.534 1.00 0.00 H new ATOM 18 N ILE A 24 13.778 4.006 7.800 1.00 0.00 N ATOM 19 CA ILE A 24 12.500 3.787 7.107 1.00 0.00 C ATOM 20 C ILE A 24 12.650 3.014 5.790 1.00 0.00 C ATOM 21 O ILE A 24 13.711 2.997 5.167 1.00 0.00 O ATOM 22 CB ILE A 24 11.758 5.122 6.864 1.00 0.00 C ATOM 23 CG1 ILE A 24 12.654 6.278 6.347 1.00 0.00 C ATOM 24 CG2 ILE A 24 10.962 5.527 8.112 1.00 0.00 C ATOM 25 CD1 ILE A 24 11.919 7.602 6.065 1.00 0.00 C ATOM 0 H ILE A 24 14.503 4.342 7.166 1.00 0.00 H new ATOM 0 HA ILE A 24 11.903 3.164 7.773 1.00 0.00 H new ATOM 0 HB ILE A 24 11.065 4.934 6.044 1.00 0.00 H new ATOM 0 HG12 ILE A 24 13.437 6.465 7.081 1.00 0.00 H new ATOM 0 HG13 ILE A 24 13.147 5.952 5.431 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.446 6.468 7.925 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.231 4.752 8.345 1.00 0.00 H new ATOM 0 HG23 ILE A 24 11.643 5.648 8.954 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.632 8.345 5.708 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.154 7.439 5.305 1.00 0.00 H new ATOM 0 HD13 ILE A 24 11.450 7.960 6.981 1.00 0.00 H new ATOM 37 N ASN A 25 11.550 2.394 5.345 1.00 0.00 N ATOM 38 CA ASN A 25 11.504 1.461 4.209 1.00 0.00 C ATOM 39 C ASN A 25 11.190 2.180 2.879 1.00 0.00 C ATOM 40 O ASN A 25 10.181 1.939 2.219 1.00 0.00 O ATOM 41 CB ASN A 25 10.543 0.307 4.557 1.00 0.00 C ATOM 42 CG ASN A 25 10.769 -0.275 5.947 1.00 0.00 C ATOM 43 OD1 ASN A 25 9.921 -0.185 6.825 1.00 0.00 O ATOM 44 ND2 ASN A 25 11.922 -0.844 6.218 1.00 0.00 N ATOM 0 H ASN A 25 10.637 2.531 5.779 1.00 0.00 H new ATOM 0 HA ASN A 25 12.489 1.026 4.040 1.00 0.00 H new ATOM 0 HB2 ASN A 25 9.516 0.666 4.485 1.00 0.00 H new ATOM 0 HB3 ASN A 25 10.657 -0.485 3.817 1.00 0.00 H new ATOM 0 HD21 ASN A 25 12.104 -1.206 7.154 1.00 0.00 H new ATOM 0 HD22 ASN A 25 12.635 -0.923 5.492 1.00 0.00 H new ATOM 51 N GLN A 26 11.988 3.205 2.598 1.00 0.00 N ATOM 52 CA GLN A 26 11.846 4.232 1.552 1.00 0.00 C ATOM 53 C GLN A 26 13.207 4.941 1.348 1.00 0.00 C ATOM 54 O GLN A 26 14.212 4.528 1.932 1.00 0.00 O ATOM 55 CB GLN A 26 10.674 5.181 1.880 1.00 0.00 C ATOM 56 CG GLN A 26 10.557 5.647 3.344 1.00 0.00 C ATOM 57 CD GLN A 26 9.288 5.190 4.080 1.00 0.00 C ATOM 58 OE1 GLN A 26 8.832 3.961 3.924 1.00 0.00 O flip ATOM 59 NE2 GLN A 26 8.717 5.922 4.875 1.00 0.00 N flip ATOM 0 H GLN A 26 12.835 3.359 3.146 1.00 0.00 H new ATOM 0 HA GLN A 26 11.585 3.778 0.596 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.762 6.064 1.247 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.744 4.683 1.605 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.426 5.285 3.894 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.597 6.736 3.366 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.047 6.877 5.017 1.00 0.00 H new ATOM 0 HE22 GLN A 26 7.911 5.578 5.397 1.00 0.00 H new ATOM 68 N VAL A 27 13.282 5.961 0.485 1.00 0.00 N ATOM 69 CA VAL A 27 14.556 6.565 0.038 1.00 0.00 C ATOM 70 C VAL A 27 14.999 7.715 0.961 1.00 0.00 C ATOM 71 O VAL A 27 14.290 8.072 1.902 1.00 0.00 O ATOM 72 CB VAL A 27 14.464 7.034 -1.443 1.00 0.00 C ATOM 73 CG1 VAL A 27 14.944 5.925 -2.368 1.00 0.00 C ATOM 74 CG2 VAL A 27 13.072 7.455 -1.935 1.00 0.00 C ATOM 0 H VAL A 27 12.459 6.398 0.071 1.00 0.00 H new ATOM 0 HA VAL A 27 15.321 5.791 0.098 1.00 0.00 H new ATOM 0 HB VAL A 27 15.091 7.925 -1.471 1.00 0.00 H new ATOM 0 HG11 VAL A 27 14.877 6.260 -3.403 1.00 0.00 H new ATOM 0 HG12 VAL A 27 15.979 5.678 -2.133 1.00 0.00 H new ATOM 0 HG13 VAL A 27 14.320 5.042 -2.231 1.00 0.00 H new ATOM 0 HG21 VAL A 27 13.132 7.761 -2.979 1.00 0.00 H new ATOM 0 HG22 VAL A 27 12.384 6.615 -1.843 1.00 0.00 H new ATOM 0 HG23 VAL A 27 12.710 8.288 -1.333 1.00 0.00 H new ATOM 84 N ARG A 28 16.230 8.208 0.739 1.00 0.00 N ATOM 85 CA ARG A 28 16.902 9.377 1.352 1.00 0.00 C ATOM 86 C ARG A 28 18.100 9.752 0.438 1.00 0.00 C ATOM 87 O ARG A 28 18.751 8.835 -0.068 1.00 0.00 O ATOM 88 CB ARG A 28 17.366 8.971 2.778 1.00 0.00 C ATOM 89 CG ARG A 28 17.735 10.123 3.727 1.00 0.00 C ATOM 90 CD ARG A 28 19.161 10.670 3.618 1.00 0.00 C ATOM 91 NE ARG A 28 20.153 9.726 4.174 1.00 0.00 N ATOM 92 CZ ARG A 28 21.455 9.690 3.943 1.00 0.00 C ATOM 93 NH1 ARG A 28 22.045 10.471 3.082 1.00 0.00 N ATOM 94 NH2 ARG A 28 22.207 8.845 4.589 1.00 0.00 N ATOM 0 H ARG A 28 16.843 7.757 0.060 1.00 0.00 H new ATOM 0 HA ARG A 28 16.244 10.241 1.442 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.572 8.386 3.243 1.00 0.00 H new ATOM 0 HB3 ARG A 28 18.232 8.315 2.683 1.00 0.00 H new ATOM 0 HG2 ARG A 28 17.040 10.945 3.552 1.00 0.00 H new ATOM 0 HG3 ARG A 28 17.577 9.785 4.751 1.00 0.00 H new ATOM 0 HD2 ARG A 28 19.395 10.870 2.572 1.00 0.00 H new ATOM 0 HD3 ARG A 28 19.227 11.621 4.147 1.00 0.00 H new ATOM 0 HE ARG A 28 19.790 9.018 4.812 1.00 0.00 H new ATOM 0 HH11 ARG A 28 21.499 11.149 2.550 1.00 0.00 H new ATOM 0 HH12 ARG A 28 23.053 10.404 2.940 1.00 0.00 H new ATOM 0 HH21 ARG A 28 21.792 8.212 5.272 1.00 0.00 H new ATOM 0 HH22 ARG A 28 23.211 8.817 4.411 1.00 0.00 H new ATOM 108 N PRO A 29 18.407 11.045 0.197 1.00 0.00 N ATOM 109 CA PRO A 29 19.370 11.462 -0.833 1.00 0.00 C ATOM 110 C PRO A 29 20.751 11.893 -0.306 1.00 0.00 C ATOM 111 O PRO A 29 20.999 11.960 0.900 1.00 0.00 O ATOM 112 CB PRO A 29 18.667 12.665 -1.473 1.00 0.00 C ATOM 113 CG PRO A 29 18.124 13.377 -0.238 1.00 0.00 C ATOM 114 CD PRO A 29 17.674 12.219 0.661 1.00 0.00 C ATOM 0 HA PRO A 29 19.601 10.630 -1.499 1.00 0.00 H new ATOM 0 HB2 PRO A 29 19.356 13.291 -2.040 1.00 0.00 H new ATOM 0 HB3 PRO A 29 17.874 12.363 -2.157 1.00 0.00 H new ATOM 0 HG2 PRO A 29 18.888 13.988 0.243 1.00 0.00 H new ATOM 0 HG3 PRO A 29 17.295 14.040 -0.487 1.00 0.00 H new ATOM 0 HD2 PRO A 29 17.894 12.429 1.708 1.00 0.00 H new ATOM 0 HD3 PRO A 29 16.598 12.062 0.587 1.00 0.00 H new ATOM 122 N LYS A 30 21.617 12.256 -1.259 1.00 0.00 N ATOM 123 CA LYS A 30 22.905 12.953 -1.091 1.00 0.00 C ATOM 124 C LYS A 30 22.722 14.384 -1.628 1.00 0.00 C ATOM 125 O LYS A 30 21.832 14.600 -2.448 1.00 0.00 O ATOM 126 CB LYS A 30 23.987 12.148 -1.839 1.00 0.00 C ATOM 127 CG LYS A 30 25.426 12.547 -1.475 1.00 0.00 C ATOM 128 CD LYS A 30 26.430 11.792 -2.356 1.00 0.00 C ATOM 129 CE LYS A 30 27.868 12.166 -1.968 1.00 0.00 C ATOM 130 NZ LYS A 30 28.869 11.435 -2.793 1.00 0.00 N ATOM 0 H LYS A 30 21.425 12.057 -2.241 1.00 0.00 H new ATOM 0 HA LYS A 30 23.224 13.025 -0.051 1.00 0.00 H new ATOM 0 HB2 LYS A 30 23.850 11.088 -1.625 1.00 0.00 H new ATOM 0 HB3 LYS A 30 23.845 12.278 -2.912 1.00 0.00 H new ATOM 0 HG2 LYS A 30 25.556 13.622 -1.604 1.00 0.00 H new ATOM 0 HG3 LYS A 30 25.617 12.327 -0.425 1.00 0.00 H new ATOM 0 HD2 LYS A 30 26.284 10.717 -2.246 1.00 0.00 H new ATOM 0 HD3 LYS A 30 26.255 12.031 -3.405 1.00 0.00 H new ATOM 0 HE2 LYS A 30 28.010 13.240 -2.090 1.00 0.00 H new ATOM 0 HE3 LYS A 30 28.031 11.941 -0.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 29.828 11.713 -2.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 28.749 10.411 -2.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 28.730 11.670 -3.797 1.00 0.00 H new ATOM 144 N LEU A 31 23.544 15.357 -1.232 1.00 0.00 N ATOM 145 CA LEU A 31 23.376 16.789 -1.574 1.00 0.00 C ATOM 146 C LEU A 31 23.034 17.109 -3.057 1.00 0.00 C ATOM 147 O LEU A 31 22.074 17.853 -3.278 1.00 0.00 O ATOM 148 CB LEU A 31 24.615 17.583 -1.104 1.00 0.00 C ATOM 149 CG LEU A 31 24.851 17.611 0.421 1.00 0.00 C ATOM 150 CD1 LEU A 31 26.125 18.398 0.726 1.00 0.00 C ATOM 151 CD2 LEU A 31 23.697 18.258 1.190 1.00 0.00 C ATOM 0 H LEU A 31 24.364 15.179 -0.653 1.00 0.00 H new ATOM 0 HA LEU A 31 22.482 17.106 -1.036 1.00 0.00 H new ATOM 0 HB2 LEU A 31 25.498 17.160 -1.582 1.00 0.00 H new ATOM 0 HB3 LEU A 31 24.522 18.610 -1.458 1.00 0.00 H new ATOM 0 HG LEU A 31 24.934 16.573 0.744 1.00 0.00 H new ATOM 0 HD11 LEU A 31 26.291 18.418 1.803 1.00 0.00 H new ATOM 0 HD12 LEU A 31 26.974 17.920 0.236 1.00 0.00 H new ATOM 0 HD13 LEU A 31 26.020 19.418 0.356 1.00 0.00 H new ATOM 0 HD21 LEU A 31 23.920 18.249 2.257 1.00 0.00 H new ATOM 0 HD22 LEU A 31 23.568 19.287 0.855 1.00 0.00 H new ATOM 0 HD23 LEU A 31 22.779 17.700 1.006 1.00 0.00 H new ATOM 163 N PRO A 32 23.709 16.547 -4.086 1.00 0.00 N ATOM 164 CA PRO A 32 23.363 16.821 -5.489 1.00 0.00 C ATOM 165 C PRO A 32 22.027 16.221 -5.949 1.00 0.00 C ATOM 166 O PRO A 32 21.419 16.742 -6.882 1.00 0.00 O ATOM 167 CB PRO A 32 24.535 16.285 -6.311 1.00 0.00 C ATOM 168 CG PRO A 32 25.139 15.196 -5.430 1.00 0.00 C ATOM 169 CD PRO A 32 24.933 15.753 -4.026 1.00 0.00 C ATOM 0 HA PRO A 32 23.211 17.892 -5.623 1.00 0.00 H new ATOM 0 HB2 PRO A 32 24.201 15.884 -7.268 1.00 0.00 H new ATOM 0 HB3 PRO A 32 25.260 17.069 -6.530 1.00 0.00 H new ATOM 0 HG2 PRO A 32 24.635 14.239 -5.565 1.00 0.00 H new ATOM 0 HG3 PRO A 32 26.194 15.034 -5.651 1.00 0.00 H new ATOM 0 HD2 PRO A 32 24.841 14.949 -3.296 1.00 0.00 H new ATOM 0 HD3 PRO A 32 25.781 16.365 -3.720 1.00 0.00 H new ATOM 177 N LEU A 33 21.539 15.170 -5.282 1.00 0.00 N ATOM 178 CA LEU A 33 20.196 14.617 -5.514 1.00 0.00 C ATOM 179 C LEU A 33 19.122 15.359 -4.699 1.00 0.00 C ATOM 180 O LEU A 33 18.024 15.598 -5.201 1.00 0.00 O ATOM 181 CB LEU A 33 20.183 13.101 -5.226 1.00 0.00 C ATOM 182 CG LEU A 33 20.865 12.172 -6.253 1.00 0.00 C ATOM 183 CD1 LEU A 33 20.382 12.423 -7.682 1.00 0.00 C ATOM 184 CD2 LEU A 33 22.391 12.258 -6.242 1.00 0.00 C ATOM 0 H LEU A 33 22.065 14.675 -4.562 1.00 0.00 H new ATOM 0 HA LEU A 33 19.947 14.766 -6.565 1.00 0.00 H new ATOM 0 HB2 LEU A 33 20.659 12.939 -4.259 1.00 0.00 H new ATOM 0 HB3 LEU A 33 19.144 12.787 -5.127 1.00 0.00 H new ATOM 0 HG LEU A 33 20.572 11.172 -5.934 1.00 0.00 H new ATOM 0 HD11 LEU A 33 20.893 11.743 -8.364 1.00 0.00 H new ATOM 0 HD12 LEU A 33 19.307 12.252 -7.738 1.00 0.00 H new ATOM 0 HD13 LEU A 33 20.601 13.453 -7.965 1.00 0.00 H new ATOM 0 HD21 LEU A 33 22.799 11.578 -6.989 1.00 0.00 H new ATOM 0 HD22 LEU A 33 22.700 13.278 -6.473 1.00 0.00 H new ATOM 0 HD23 LEU A 33 22.764 11.980 -5.256 1.00 0.00 H new ATOM 196 N LEU A 34 19.451 15.801 -3.476 1.00 0.00 N ATOM 197 CA LEU A 34 18.563 16.597 -2.615 1.00 0.00 C ATOM 198 C LEU A 34 18.118 17.884 -3.304 1.00 0.00 C ATOM 199 O LEU A 34 16.941 18.229 -3.232 1.00 0.00 O ATOM 200 CB LEU A 34 19.281 16.876 -1.274 1.00 0.00 C ATOM 201 CG LEU A 34 18.548 17.788 -0.253 1.00 0.00 C ATOM 202 CD1 LEU A 34 18.940 17.382 1.168 1.00 0.00 C ATOM 203 CD2 LEU A 34 18.925 19.265 -0.406 1.00 0.00 C ATOM 0 H LEU A 34 20.358 15.612 -3.050 1.00 0.00 H new ATOM 0 HA LEU A 34 17.653 16.031 -2.416 1.00 0.00 H new ATOM 0 HB2 LEU A 34 19.479 15.919 -0.791 1.00 0.00 H new ATOM 0 HB3 LEU A 34 20.248 17.327 -1.496 1.00 0.00 H new ATOM 0 HG LEU A 34 17.481 17.666 -0.441 1.00 0.00 H new ATOM 0 HD11 LEU A 34 18.425 18.022 1.884 1.00 0.00 H new ATOM 0 HD12 LEU A 34 18.657 16.344 1.341 1.00 0.00 H new ATOM 0 HD13 LEU A 34 20.017 17.490 1.293 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.384 19.857 0.332 1.00 0.00 H new ATOM 0 HD22 LEU A 34 19.997 19.385 -0.252 1.00 0.00 H new ATOM 0 HD23 LEU A 34 18.662 19.606 -1.408 1.00 0.00 H new ATOM 215 N LYS A 35 19.023 18.580 -4.004 1.00 0.00 N ATOM 216 CA LYS A 35 18.720 19.913 -4.562 1.00 0.00 C ATOM 217 C LYS A 35 17.750 19.901 -5.748 1.00 0.00 C ATOM 218 O LYS A 35 17.054 20.886 -5.979 1.00 0.00 O ATOM 219 CB LYS A 35 19.983 20.722 -4.769 1.00 0.00 C ATOM 220 CG LYS A 35 20.943 20.206 -5.838 1.00 0.00 C ATOM 221 CD LYS A 35 22.238 20.950 -5.540 1.00 0.00 C ATOM 222 CE LYS A 35 23.287 20.766 -6.646 1.00 0.00 C ATOM 223 NZ LYS A 35 24.535 21.523 -6.350 1.00 0.00 N ATOM 0 H LYS A 35 19.968 18.248 -4.199 1.00 0.00 H new ATOM 0 HA LYS A 35 18.144 20.447 -3.806 1.00 0.00 H new ATOM 0 HB2 LYS A 35 19.699 21.742 -5.027 1.00 0.00 H new ATOM 0 HB3 LYS A 35 20.519 20.770 -3.821 1.00 0.00 H new ATOM 0 HG2 LYS A 35 21.076 19.126 -5.771 1.00 0.00 H new ATOM 0 HG3 LYS A 35 20.578 20.421 -6.843 1.00 0.00 H new ATOM 0 HD2 LYS A 35 22.024 22.012 -5.419 1.00 0.00 H new ATOM 0 HD3 LYS A 35 22.647 20.597 -4.593 1.00 0.00 H new ATOM 0 HE2 LYS A 35 23.520 19.707 -6.754 1.00 0.00 H new ATOM 0 HE3 LYS A 35 22.875 21.101 -7.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 25.221 21.376 -7.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 24.316 22.537 -6.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 24.941 21.186 -5.454 1.00 0.00 H new ATOM 237 N ILE A 36 17.613 18.750 -6.413 1.00 0.00 N ATOM 238 CA ILE A 36 16.597 18.488 -7.448 1.00 0.00 C ATOM 239 C ILE A 36 15.201 18.542 -6.813 1.00 0.00 C ATOM 240 O ILE A 36 14.346 19.309 -7.242 1.00 0.00 O ATOM 241 CB ILE A 36 16.849 17.121 -8.136 1.00 0.00 C ATOM 242 CG1 ILE A 36 18.311 17.001 -8.624 1.00 0.00 C ATOM 243 CG2 ILE A 36 15.873 16.912 -9.311 1.00 0.00 C ATOM 244 CD1 ILE A 36 18.682 15.598 -9.107 1.00 0.00 C ATOM 0 H ILE A 36 18.221 17.949 -6.244 1.00 0.00 H new ATOM 0 HA ILE A 36 16.663 19.255 -8.220 1.00 0.00 H new ATOM 0 HB ILE A 36 16.674 16.341 -7.395 1.00 0.00 H new ATOM 0 HG12 ILE A 36 18.474 17.710 -9.435 1.00 0.00 H new ATOM 0 HG13 ILE A 36 18.981 17.286 -7.812 1.00 0.00 H new ATOM 0 HG21 ILE A 36 16.068 15.947 -9.779 1.00 0.00 H new ATOM 0 HG22 ILE A 36 14.848 16.935 -8.941 1.00 0.00 H new ATOM 0 HG23 ILE A 36 16.012 17.706 -10.045 1.00 0.00 H new ATOM 0 HD11 ILE A 36 19.722 15.589 -9.434 1.00 0.00 H new ATOM 0 HD12 ILE A 36 18.552 14.886 -8.292 1.00 0.00 H new ATOM 0 HD13 ILE A 36 18.037 15.318 -9.940 1.00 0.00 H new ATOM 256 N LEU A 37 14.992 17.800 -5.721 1.00 0.00 N ATOM 257 CA LEU A 37 13.742 17.842 -4.955 1.00 0.00 C ATOM 258 C LEU A 37 13.554 19.196 -4.242 1.00 0.00 C ATOM 259 O LEU A 37 12.437 19.704 -4.153 1.00 0.00 O ATOM 260 CB LEU A 37 13.724 16.640 -3.982 1.00 0.00 C ATOM 261 CG LEU A 37 13.057 15.349 -4.498 1.00 0.00 C ATOM 262 CD1 LEU A 37 11.545 15.508 -4.612 1.00 0.00 C ATOM 263 CD2 LEU A 37 13.587 14.842 -5.836 1.00 0.00 C ATOM 0 H LEU A 37 15.684 17.153 -5.343 1.00 0.00 H new ATOM 0 HA LEU A 37 12.890 17.756 -5.630 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.753 16.407 -3.708 1.00 0.00 H new ATOM 0 HB3 LEU A 37 13.213 16.947 -3.069 1.00 0.00 H new ATOM 0 HG LEU A 37 13.316 14.605 -3.745 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.108 14.579 -4.979 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.129 15.743 -3.632 1.00 0.00 H new ATOM 0 HD13 LEU A 37 11.315 16.316 -5.307 1.00 0.00 H new ATOM 0 HD21 LEU A 37 13.058 13.931 -6.116 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.430 15.602 -6.601 1.00 0.00 H new ATOM 0 HD23 LEU A 37 14.653 14.630 -5.748 1.00 0.00 H new ATOM 275 N HIS A 38 14.636 19.833 -3.784 1.00 0.00 N ATOM 276 CA HIS A 38 14.581 21.122 -3.079 1.00 0.00 C ATOM 277 C HIS A 38 14.183 22.292 -3.989 1.00 0.00 C ATOM 278 O HIS A 38 13.468 23.192 -3.546 1.00 0.00 O ATOM 279 CB HIS A 38 15.912 21.384 -2.356 1.00 0.00 C ATOM 280 CG HIS A 38 15.717 22.050 -1.021 1.00 0.00 C ATOM 281 ND1 HIS A 38 16.225 23.289 -0.623 1.00 0.00 N ATOM 282 CD2 HIS A 38 14.998 21.509 0.003 1.00 0.00 C ATOM 283 CE1 HIS A 38 15.790 23.470 0.638 1.00 0.00 C ATOM 284 NE2 HIS A 38 15.051 22.419 1.037 1.00 0.00 N ATOM 0 H HIS A 38 15.582 19.468 -3.892 1.00 0.00 H new ATOM 0 HA HIS A 38 13.786 21.053 -2.336 1.00 0.00 H new ATOM 0 HB2 HIS A 38 16.438 20.440 -2.215 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.546 22.011 -2.983 1.00 0.00 H new ATOM 0 HD2 HIS A 38 14.488 20.557 0.004 1.00 0.00 H new ATOM 0 HE1 HIS A 38 16.004 24.338 1.245 1.00 0.00 H new ATOM 0 HE2 HIS A 38 14.606 22.314 1.949 1.00 0.00 H new ATOM 292 N ALA A 39 14.529 22.232 -5.282 1.00 0.00 N ATOM 293 CA ALA A 39 14.030 23.166 -6.299 1.00 0.00 C ATOM 294 C ALA A 39 12.489 23.147 -6.428 1.00 0.00 C ATOM 295 O ALA A 39 11.890 24.127 -6.875 1.00 0.00 O ATOM 296 CB ALA A 39 14.686 22.829 -7.644 1.00 0.00 C ATOM 0 H ALA A 39 15.168 21.529 -5.654 1.00 0.00 H new ATOM 0 HA ALA A 39 14.296 24.176 -5.988 1.00 0.00 H new ATOM 0 HB1 ALA A 39 14.323 23.516 -8.408 1.00 0.00 H new ATOM 0 HB2 ALA A 39 15.768 22.924 -7.555 1.00 0.00 H new ATOM 0 HB3 ALA A 39 14.433 21.807 -7.926 1.00 0.00 H new ATOM 302 N ALA A 40 11.851 22.050 -5.996 1.00 0.00 N ATOM 303 CA ALA A 40 10.403 21.869 -5.916 1.00 0.00 C ATOM 304 C ALA A 40 9.848 21.957 -4.474 1.00 0.00 C ATOM 305 O ALA A 40 8.773 21.424 -4.191 1.00 0.00 O ATOM 306 CB ALA A 40 10.059 20.558 -6.625 1.00 0.00 C ATOM 0 H ALA A 40 12.361 21.226 -5.678 1.00 0.00 H new ATOM 0 HA ALA A 40 9.905 22.696 -6.422 1.00 0.00 H new ATOM 0 HB1 ALA A 40 8.982 20.393 -6.583 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.377 20.613 -7.666 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.572 19.732 -6.132 1.00 0.00 H new ATOM 312 N GLY A 41 10.568 22.609 -3.550 1.00 0.00 N ATOM 313 CA GLY A 41 10.083 22.926 -2.197 1.00 0.00 C ATOM 314 C GLY A 41 10.003 21.739 -1.224 1.00 0.00 C ATOM 315 O GLY A 41 9.308 21.829 -0.209 1.00 0.00 O ATOM 0 H GLY A 41 11.518 22.936 -3.723 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.737 23.683 -1.765 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.092 23.371 -2.281 1.00 0.00 H new ATOM 319 N ALA A 42 10.678 20.627 -1.532 1.00 0.00 N ATOM 320 CA ALA A 42 10.694 19.406 -0.727 1.00 0.00 C ATOM 321 C ALA A 42 11.699 19.479 0.453 1.00 0.00 C ATOM 322 O ALA A 42 12.111 20.557 0.884 1.00 0.00 O ATOM 323 CB ALA A 42 11.085 18.280 -1.690 1.00 0.00 C ATOM 0 H ALA A 42 11.246 20.552 -2.376 1.00 0.00 H new ATOM 0 HA ALA A 42 9.718 19.245 -0.269 1.00 0.00 H new ATOM 0 HB1 ALA A 42 11.116 17.334 -1.150 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.350 18.216 -2.492 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.068 18.488 -2.114 1.00 0.00 H new ATOM 329 N GLN A 43 12.144 18.310 0.940 1.00 0.00 N ATOM 330 CA GLN A 43 13.267 18.145 1.879 1.00 0.00 C ATOM 331 C GLN A 43 14.104 16.915 1.500 1.00 0.00 C ATOM 332 O GLN A 43 14.226 15.942 2.239 1.00 0.00 O ATOM 333 CB GLN A 43 12.783 18.175 3.341 1.00 0.00 C ATOM 334 CG GLN A 43 11.673 17.172 3.704 1.00 0.00 C ATOM 335 CD GLN A 43 11.308 17.258 5.185 1.00 0.00 C ATOM 336 OE1 GLN A 43 10.354 17.914 5.585 1.00 0.00 O ATOM 337 NE2 GLN A 43 12.057 16.617 6.061 1.00 0.00 N ATOM 0 H GLN A 43 11.717 17.421 0.682 1.00 0.00 H new ATOM 0 HA GLN A 43 13.943 18.996 1.797 1.00 0.00 H new ATOM 0 HB2 GLN A 43 13.639 17.990 3.990 1.00 0.00 H new ATOM 0 HB3 GLN A 43 12.425 19.180 3.564 1.00 0.00 H new ATOM 0 HG2 GLN A 43 10.789 17.370 3.098 1.00 0.00 H new ATOM 0 HG3 GLN A 43 12.003 16.160 3.467 1.00 0.00 H new ATOM 0 HE21 GLN A 43 12.855 16.066 5.744 1.00 0.00 H new ATOM 0 HE22 GLN A 43 11.838 16.672 7.056 1.00 0.00 H new ATOM 346 N GLY A 44 14.647 16.943 0.282 1.00 0.00 N ATOM 347 CA GLY A 44 15.350 15.813 -0.318 1.00 0.00 C ATOM 348 C GLY A 44 14.403 14.717 -0.808 1.00 0.00 C ATOM 349 O GLY A 44 13.350 15.019 -1.340 1.00 0.00 O ATOM 0 H GLY A 44 14.609 17.764 -0.322 1.00 0.00 H new ATOM 0 HA2 GLY A 44 15.951 16.168 -1.155 1.00 0.00 H new ATOM 0 HA3 GLY A 44 16.040 15.391 0.413 1.00 0.00 H new ATOM 353 N GLU A 45 14.786 13.450 -0.638 1.00 0.00 N ATOM 354 CA GLU A 45 14.025 12.238 -1.007 1.00 0.00 C ATOM 355 C GLU A 45 13.767 11.326 0.202 1.00 0.00 C ATOM 356 O GLU A 45 13.574 10.131 0.041 1.00 0.00 O ATOM 357 CB GLU A 45 14.748 11.464 -2.130 1.00 0.00 C ATOM 358 CG GLU A 45 14.846 12.212 -3.458 1.00 0.00 C ATOM 359 CD GLU A 45 15.551 11.327 -4.504 1.00 0.00 C ATOM 360 OE1 GLU A 45 16.804 11.351 -4.576 1.00 0.00 O ATOM 361 OE2 GLU A 45 14.855 10.589 -5.243 1.00 0.00 O ATOM 0 H GLU A 45 15.686 13.221 -0.216 1.00 0.00 H new ATOM 0 HA GLU A 45 13.053 12.566 -1.376 1.00 0.00 H new ATOM 0 HB2 GLU A 45 15.754 11.217 -1.793 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.227 10.521 -2.297 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.850 12.482 -3.808 1.00 0.00 H new ATOM 0 HG3 GLU A 45 15.399 13.142 -3.323 1.00 0.00 H new ATOM 368 N MET A 46 13.829 11.865 1.424 1.00 0.00 N ATOM 369 CA MET A 46 13.832 11.127 2.706 1.00 0.00 C ATOM 370 C MET A 46 12.476 10.537 3.149 1.00 0.00 C ATOM 371 O MET A 46 12.083 10.615 4.315 1.00 0.00 O ATOM 372 CB MET A 46 14.516 11.998 3.755 1.00 0.00 C ATOM 373 CG MET A 46 13.728 13.251 4.142 1.00 0.00 C ATOM 374 SD MET A 46 14.562 14.367 5.308 1.00 0.00 S ATOM 375 CE MET A 46 14.528 13.360 6.818 1.00 0.00 C ATOM 0 H MET A 46 13.881 12.875 1.560 1.00 0.00 H new ATOM 0 HA MET A 46 14.407 10.212 2.562 1.00 0.00 H new ATOM 0 HB2 MET A 46 14.689 11.401 4.650 1.00 0.00 H new ATOM 0 HB3 MET A 46 15.494 12.299 3.379 1.00 0.00 H new ATOM 0 HG2 MET A 46 13.496 13.808 3.234 1.00 0.00 H new ATOM 0 HG3 MET A 46 12.778 12.942 4.578 1.00 0.00 H new ATOM 0 HE1 MET A 46 14.924 13.940 7.651 1.00 0.00 H new ATOM 0 HE2 MET A 46 13.501 13.066 7.036 1.00 0.00 H new ATOM 0 HE3 MET A 46 15.138 12.468 6.675 1.00 0.00 H new ATOM 385 N PHE A 47 11.743 9.980 2.191 1.00 0.00 N ATOM 386 CA PHE A 47 10.333 9.580 2.312 1.00 0.00 C ATOM 387 C PHE A 47 9.837 8.672 1.164 1.00 0.00 C ATOM 388 O PHE A 47 10.562 8.374 0.216 1.00 0.00 O ATOM 389 CB PHE A 47 9.506 10.871 2.435 1.00 0.00 C ATOM 390 CG PHE A 47 9.945 11.989 1.503 1.00 0.00 C ATOM 391 CD1 PHE A 47 9.768 11.842 0.117 1.00 0.00 C ATOM 392 CD2 PHE A 47 10.612 13.127 2.000 1.00 0.00 C ATOM 393 CE1 PHE A 47 10.164 12.865 -0.754 1.00 0.00 C ATOM 394 CE2 PHE A 47 11.069 14.120 1.119 1.00 0.00 C ATOM 395 CZ PHE A 47 10.792 14.011 -0.251 1.00 0.00 C ATOM 0 H PHE A 47 12.126 9.784 1.266 1.00 0.00 H new ATOM 0 HA PHE A 47 10.214 8.957 3.198 1.00 0.00 H new ATOM 0 HB2 PHE A 47 8.460 10.638 2.236 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.563 11.228 3.463 1.00 0.00 H new ATOM 0 HD1 PHE A 47 9.326 10.939 -0.277 1.00 0.00 H new ATOM 0 HD2 PHE A 47 10.772 13.235 3.063 1.00 0.00 H new ATOM 0 HE1 PHE A 47 9.985 12.770 -1.815 1.00 0.00 H new ATOM 0 HE2 PHE A 47 11.631 14.963 1.494 1.00 0.00 H new ATOM 0 HZ PHE A 47 11.064 14.814 -0.921 1.00 0.00 H new ATOM 405 N THR A 48 8.598 8.185 1.281 1.00 0.00 N ATOM 406 CA THR A 48 7.960 7.142 0.444 1.00 0.00 C ATOM 407 C THR A 48 7.654 7.588 -0.997 1.00 0.00 C ATOM 408 O THR A 48 7.644 8.778 -1.320 1.00 0.00 O ATOM 409 CB THR A 48 6.655 6.646 1.132 1.00 0.00 C ATOM 410 OG1 THR A 48 6.694 6.880 2.525 1.00 0.00 O ATOM 411 CG2 THR A 48 6.411 5.143 0.965 1.00 0.00 C ATOM 0 H THR A 48 7.966 8.525 2.006 1.00 0.00 H new ATOM 0 HA THR A 48 8.686 6.334 0.359 1.00 0.00 H new ATOM 0 HB THR A 48 5.858 7.206 0.642 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.862 6.561 2.934 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.485 4.867 1.469 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.333 4.903 -0.095 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.242 4.589 1.402 1.00 0.00 H new ATOM 419 N VAL A 49 7.318 6.615 -1.860 1.00 0.00 N ATOM 420 CA VAL A 49 6.975 6.791 -3.292 1.00 0.00 C ATOM 421 C VAL A 49 5.937 7.898 -3.522 1.00 0.00 C ATOM 422 O VAL A 49 6.106 8.742 -4.402 1.00 0.00 O ATOM 423 CB VAL A 49 6.458 5.461 -3.899 1.00 0.00 C ATOM 424 CG1 VAL A 49 6.162 5.587 -5.400 1.00 0.00 C ATOM 425 CG2 VAL A 49 7.460 4.318 -3.676 1.00 0.00 C ATOM 0 H VAL A 49 7.274 5.638 -1.571 1.00 0.00 H new ATOM 0 HA VAL A 49 7.895 7.092 -3.793 1.00 0.00 H new ATOM 0 HB VAL A 49 5.527 5.231 -3.381 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.803 4.631 -5.781 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.400 6.350 -5.558 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.073 5.869 -5.928 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.068 3.400 -4.113 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.409 4.569 -4.149 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.615 4.173 -2.607 1.00 0.00 H new ATOM 435 N LYS A 50 4.891 7.943 -2.687 1.00 0.00 N ATOM 436 CA LYS A 50 3.807 8.930 -2.829 1.00 0.00 C ATOM 437 C LYS A 50 4.262 10.357 -2.528 1.00 0.00 C ATOM 438 O LYS A 50 3.782 11.302 -3.148 1.00 0.00 O ATOM 439 CB LYS A 50 2.589 8.565 -1.960 1.00 0.00 C ATOM 440 CG LYS A 50 1.901 7.243 -2.352 1.00 0.00 C ATOM 441 CD LYS A 50 2.387 5.977 -1.616 1.00 0.00 C ATOM 442 CE LYS A 50 2.183 5.993 -0.088 1.00 0.00 C ATOM 443 NZ LYS A 50 0.744 5.909 0.298 1.00 0.00 N ATOM 0 H LYS A 50 4.770 7.304 -1.901 1.00 0.00 H new ATOM 0 HA LYS A 50 3.510 8.897 -3.877 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.907 8.501 -0.919 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.859 9.372 -2.021 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.830 7.350 -2.179 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.037 7.090 -3.423 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.866 5.113 -2.028 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.448 5.839 -1.824 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.724 5.158 0.356 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.613 6.906 0.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.661 5.923 1.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.229 6.720 -0.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.337 5.025 -0.070 1.00 0.00 H new ATOM 457 N GLU A 51 5.229 10.504 -1.627 1.00 0.00 N ATOM 458 CA GLU A 51 5.819 11.797 -1.284 1.00 0.00 C ATOM 459 C GLU A 51 6.821 12.251 -2.359 1.00 0.00 C ATOM 460 O GLU A 51 6.691 13.373 -2.844 1.00 0.00 O ATOM 461 CB GLU A 51 6.431 11.743 0.127 1.00 0.00 C ATOM 462 CG GLU A 51 5.413 11.463 1.243 1.00 0.00 C ATOM 463 CD GLU A 51 4.320 12.547 1.335 1.00 0.00 C ATOM 464 OE1 GLU A 51 4.551 13.596 1.985 1.00 0.00 O ATOM 465 OE2 GLU A 51 3.212 12.350 0.779 1.00 0.00 O ATOM 0 H GLU A 51 5.630 9.722 -1.109 1.00 0.00 H new ATOM 0 HA GLU A 51 5.036 12.555 -1.264 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.199 10.970 0.149 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.927 12.691 0.332 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.945 10.494 1.068 1.00 0.00 H new ATOM 0 HG3 GLU A 51 5.935 11.397 2.198 1.00 0.00 H new ATOM 472 N VAL A 52 7.739 11.391 -2.839 1.00 0.00 N ATOM 473 CA VAL A 52 8.634 11.771 -3.968 1.00 0.00 C ATOM 474 C VAL A 52 7.860 12.183 -5.216 1.00 0.00 C ATOM 475 O VAL A 52 8.153 13.216 -5.813 1.00 0.00 O ATOM 476 CB VAL A 52 9.660 10.696 -4.352 1.00 0.00 C ATOM 477 CG1 VAL A 52 10.723 10.483 -3.271 1.00 0.00 C ATOM 478 CG2 VAL A 52 9.102 9.316 -4.662 1.00 0.00 C ATOM 0 H VAL A 52 7.885 10.448 -2.479 1.00 0.00 H new ATOM 0 HA VAL A 52 9.184 12.628 -3.579 1.00 0.00 H new ATOM 0 HB VAL A 52 10.075 11.117 -5.268 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.422 9.712 -3.595 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.263 11.415 -3.103 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.242 10.170 -2.344 1.00 0.00 H new ATOM 0 HG21 VAL A 52 9.919 8.642 -4.920 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.577 8.931 -3.788 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.409 9.384 -5.501 1.00 0.00 H new ATOM 488 N MET A 53 6.848 11.405 -5.595 1.00 0.00 N ATOM 489 CA MET A 53 6.058 11.691 -6.801 1.00 0.00 C ATOM 490 C MET A 53 5.176 12.948 -6.660 1.00 0.00 C ATOM 491 O MET A 53 4.944 13.639 -7.649 1.00 0.00 O ATOM 492 CB MET A 53 5.281 10.451 -7.264 1.00 0.00 C ATOM 493 CG MET A 53 3.993 10.199 -6.477 1.00 0.00 C ATOM 494 SD MET A 53 3.142 8.657 -6.902 1.00 0.00 S ATOM 495 CE MET A 53 2.667 9.030 -8.613 1.00 0.00 C ATOM 0 H MET A 53 6.552 10.571 -5.088 1.00 0.00 H new ATOM 0 HA MET A 53 6.762 11.935 -7.596 1.00 0.00 H new ATOM 0 HB2 MET A 53 5.035 10.562 -8.320 1.00 0.00 H new ATOM 0 HB3 MET A 53 5.926 9.576 -7.177 1.00 0.00 H new ATOM 0 HG2 MET A 53 4.229 10.188 -5.413 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.311 11.033 -6.644 1.00 0.00 H new ATOM 0 HE1 MET A 53 1.995 8.255 -8.981 1.00 0.00 H new ATOM 0 HE2 MET A 53 2.162 9.995 -8.648 1.00 0.00 H new ATOM 0 HE3 MET A 53 3.559 9.064 -9.239 1.00 0.00 H new ATOM 505 N HIS A 54 4.750 13.294 -5.438 1.00 0.00 N ATOM 506 CA HIS A 54 4.083 14.565 -5.114 1.00 0.00 C ATOM 507 C HIS A 54 5.000 15.762 -5.431 1.00 0.00 C ATOM 508 O HIS A 54 4.675 16.582 -6.295 1.00 0.00 O ATOM 509 CB HIS A 54 3.630 14.529 -3.639 1.00 0.00 C ATOM 510 CG HIS A 54 3.601 15.874 -2.963 1.00 0.00 C ATOM 511 ND1 HIS A 54 2.850 16.977 -3.375 1.00 0.00 N ATOM 512 CD2 HIS A 54 4.441 16.254 -1.957 1.00 0.00 C ATOM 513 CE1 HIS A 54 3.263 17.998 -2.606 1.00 0.00 C ATOM 514 NE2 HIS A 54 4.205 17.591 -1.738 1.00 0.00 N ATOM 0 H HIS A 54 4.861 12.685 -4.628 1.00 0.00 H new ATOM 0 HA HIS A 54 3.197 14.694 -5.736 1.00 0.00 H new ATOM 0 HB2 HIS A 54 2.634 14.089 -3.588 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.298 13.871 -3.083 1.00 0.00 H new ATOM 0 HD2 HIS A 54 5.151 15.629 -1.436 1.00 0.00 H new ATOM 0 HE1 HIS A 54 2.889 19.009 -2.676 1.00 0.00 H new ATOM 0 HE2 HIS A 54 4.665 18.173 -1.038 1.00 0.00 H new ATOM 522 N TYR A 55 6.182 15.818 -4.807 1.00 0.00 N ATOM 523 CA TYR A 55 7.217 16.810 -5.101 1.00 0.00 C ATOM 524 C TYR A 55 7.640 16.832 -6.583 1.00 0.00 C ATOM 525 O TYR A 55 7.850 17.914 -7.127 1.00 0.00 O ATOM 526 CB TYR A 55 8.428 16.570 -4.197 1.00 0.00 C ATOM 527 CG TYR A 55 8.153 16.700 -2.708 1.00 0.00 C ATOM 528 CD1 TYR A 55 7.726 17.927 -2.170 1.00 0.00 C ATOM 529 CD2 TYR A 55 8.345 15.601 -1.855 1.00 0.00 C ATOM 530 CE1 TYR A 55 7.442 18.048 -0.796 1.00 0.00 C ATOM 531 CE2 TYR A 55 8.062 15.711 -0.479 1.00 0.00 C ATOM 532 CZ TYR A 55 7.610 16.934 0.056 1.00 0.00 C ATOM 533 OH TYR A 55 7.357 17.039 1.391 1.00 0.00 O ATOM 0 H TYR A 55 6.449 15.163 -4.072 1.00 0.00 H new ATOM 0 HA TYR A 55 6.788 17.791 -4.898 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.817 15.571 -4.394 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.212 17.277 -4.470 1.00 0.00 H new ATOM 0 HD1 TYR A 55 7.615 18.785 -2.817 1.00 0.00 H new ATOM 0 HD2 TYR A 55 8.711 14.667 -2.255 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.097 18.990 -0.395 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.192 14.856 0.167 1.00 0.00 H new ATOM 0 HH TYR A 55 7.524 16.176 1.824 1.00 0.00 H new ATOM 543 N LEU A 56 7.708 15.686 -7.274 1.00 0.00 N ATOM 544 CA LEU A 56 7.993 15.635 -8.718 1.00 0.00 C ATOM 545 C LEU A 56 6.857 16.218 -9.580 1.00 0.00 C ATOM 546 O LEU A 56 7.149 16.913 -10.549 1.00 0.00 O ATOM 547 CB LEU A 56 8.359 14.202 -9.156 1.00 0.00 C ATOM 548 CG LEU A 56 9.873 13.963 -9.315 1.00 0.00 C ATOM 549 CD1 LEU A 56 10.667 14.185 -8.027 1.00 0.00 C ATOM 550 CD2 LEU A 56 10.117 12.524 -9.771 1.00 0.00 C ATOM 0 H LEU A 56 7.568 14.769 -6.850 1.00 0.00 H new ATOM 0 HA LEU A 56 8.857 16.278 -8.889 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.965 13.497 -8.423 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.866 13.986 -10.104 1.00 0.00 H new ATOM 0 HG LEU A 56 10.218 14.691 -10.050 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.724 13.999 -8.215 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.534 15.213 -7.690 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.309 13.502 -7.257 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.188 12.355 -9.884 1.00 0.00 H new ATOM 0 HD22 LEU A 56 9.717 11.834 -9.028 1.00 0.00 H new ATOM 0 HD23 LEU A 56 9.621 12.356 -10.727 1.00 0.00 H new ATOM 562 N GLY A 57 5.584 16.025 -9.224 1.00 0.00 N ATOM 563 CA GLY A 57 4.460 16.669 -9.918 1.00 0.00 C ATOM 564 C GLY A 57 4.559 18.201 -9.887 1.00 0.00 C ATOM 565 O GLY A 57 4.518 18.863 -10.930 1.00 0.00 O ATOM 0 H GLY A 57 5.302 15.422 -8.451 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.432 16.329 -10.953 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.523 16.358 -9.455 1.00 0.00 H new ATOM 569 N GLN A 58 4.831 18.773 -8.706 1.00 0.00 N ATOM 570 CA GLN A 58 5.077 20.215 -8.574 1.00 0.00 C ATOM 571 C GLN A 58 6.418 20.659 -9.194 1.00 0.00 C ATOM 572 O GLN A 58 6.472 21.754 -9.750 1.00 0.00 O ATOM 573 CB GLN A 58 4.790 20.728 -7.151 1.00 0.00 C ATOM 574 CG GLN A 58 5.716 20.202 -6.048 1.00 0.00 C ATOM 575 CD GLN A 58 5.240 20.547 -4.631 1.00 0.00 C ATOM 576 OE1 GLN A 58 4.063 20.741 -4.353 1.00 0.00 O ATOM 577 NE2 GLN A 58 6.129 20.610 -3.662 1.00 0.00 N ATOM 0 H GLN A 58 4.886 18.258 -7.827 1.00 0.00 H new ATOM 0 HA GLN A 58 4.341 20.730 -9.191 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.849 21.816 -7.160 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.764 20.467 -6.892 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.799 19.119 -6.141 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.715 20.613 -6.197 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.116 20.453 -3.865 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.831 20.816 -2.709 1.00 0.00 H new ATOM 586 N TYR A 59 7.470 19.822 -9.201 1.00 0.00 N ATOM 587 CA TYR A 59 8.698 20.088 -9.974 1.00 0.00 C ATOM 588 C TYR A 59 8.354 20.299 -11.450 1.00 0.00 C ATOM 589 O TYR A 59 8.662 21.351 -12.001 1.00 0.00 O ATOM 590 CB TYR A 59 9.722 18.939 -9.842 1.00 0.00 C ATOM 591 CG TYR A 59 11.073 19.184 -10.503 1.00 0.00 C ATOM 592 CD1 TYR A 59 11.213 19.114 -11.908 1.00 0.00 C ATOM 593 CD2 TYR A 59 12.213 19.419 -9.710 1.00 0.00 C ATOM 594 CE1 TYR A 59 12.476 19.277 -12.509 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.477 19.578 -10.310 1.00 0.00 C ATOM 596 CZ TYR A 59 13.613 19.494 -11.708 1.00 0.00 C ATOM 597 OH TYR A 59 14.840 19.610 -12.284 1.00 0.00 O ATOM 0 H TYR A 59 7.495 18.948 -8.676 1.00 0.00 H new ATOM 0 HA TYR A 59 9.151 20.991 -9.566 1.00 0.00 H new ATOM 0 HB2 TYR A 59 9.886 18.742 -8.783 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.286 18.036 -10.270 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.345 18.934 -12.525 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.117 19.478 -8.636 1.00 0.00 H new ATOM 0 HE1 TYR A 59 12.572 19.236 -13.584 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.345 19.765 -9.695 1.00 0.00 H new ATOM 0 HH TYR A 59 15.515 19.758 -11.589 1.00 0.00 H new ATOM 607 N ILE A 60 7.652 19.346 -12.076 1.00 0.00 N ATOM 608 CA ILE A 60 7.251 19.416 -13.492 1.00 0.00 C ATOM 609 C ILE A 60 6.390 20.657 -13.741 1.00 0.00 C ATOM 610 O ILE A 60 6.574 21.334 -14.749 1.00 0.00 O ATOM 611 CB ILE A 60 6.489 18.136 -13.898 1.00 0.00 C ATOM 612 CG1 ILE A 60 7.360 16.866 -13.776 1.00 0.00 C ATOM 613 CG2 ILE A 60 5.962 18.237 -15.343 1.00 0.00 C ATOM 614 CD1 ILE A 60 6.487 15.626 -13.550 1.00 0.00 C ATOM 0 H ILE A 60 7.341 18.493 -11.610 1.00 0.00 H new ATOM 0 HA ILE A 60 8.149 19.491 -14.105 1.00 0.00 H new ATOM 0 HB ILE A 60 5.654 18.051 -13.203 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.953 16.738 -14.681 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.061 16.978 -12.949 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.430 17.321 -15.601 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.284 19.086 -15.424 1.00 0.00 H new ATOM 0 HG23 ILE A 60 6.799 18.375 -16.027 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.122 14.744 -13.467 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.913 15.748 -12.631 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.804 15.504 -14.391 1.00 0.00 H new ATOM 626 N MET A 61 5.487 20.994 -12.818 1.00 0.00 N ATOM 627 CA MET A 61 4.625 22.172 -12.941 1.00 0.00 C ATOM 628 C MET A 61 5.386 23.514 -12.813 1.00 0.00 C ATOM 629 O MET A 61 5.035 24.476 -13.497 1.00 0.00 O ATOM 630 CB MET A 61 3.479 22.019 -11.931 1.00 0.00 C ATOM 631 CG MET A 61 2.368 23.070 -12.075 1.00 0.00 C ATOM 632 SD MET A 61 1.655 23.310 -13.734 1.00 0.00 S ATOM 633 CE MET A 61 1.058 21.644 -14.133 1.00 0.00 C ATOM 0 H MET A 61 5.332 20.458 -11.964 1.00 0.00 H new ATOM 0 HA MET A 61 4.217 22.217 -13.951 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.042 21.027 -12.042 1.00 0.00 H new ATOM 0 HB3 MET A 61 3.889 22.075 -10.922 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.559 22.801 -11.396 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.763 24.028 -11.736 1.00 0.00 H new ATOM 0 HE1 MET A 61 0.599 21.649 -15.122 1.00 0.00 H new ATOM 0 HE2 MET A 61 1.895 20.946 -14.125 1.00 0.00 H new ATOM 0 HE3 MET A 61 0.321 21.335 -13.392 1.00 0.00 H new ATOM 643 N VAL A 62 6.462 23.589 -12.014 1.00 0.00 N ATOM 644 CA VAL A 62 7.336 24.780 -11.902 1.00 0.00 C ATOM 645 C VAL A 62 8.302 24.877 -13.089 1.00 0.00 C ATOM 646 O VAL A 62 8.348 25.902 -13.775 1.00 0.00 O ATOM 647 CB VAL A 62 8.066 24.798 -10.547 1.00 0.00 C ATOM 648 CG1 VAL A 62 9.164 25.866 -10.454 1.00 0.00 C ATOM 649 CG2 VAL A 62 7.078 25.058 -9.401 1.00 0.00 C ATOM 0 H VAL A 62 6.758 22.817 -11.417 1.00 0.00 H new ATOM 0 HA VAL A 62 6.708 25.670 -11.939 1.00 0.00 H new ATOM 0 HB VAL A 62 8.529 23.815 -10.463 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.635 25.819 -9.472 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.914 25.685 -11.224 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.725 26.853 -10.600 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.615 25.067 -8.453 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.592 26.022 -9.551 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.325 24.270 -9.384 1.00 0.00 H new ATOM 659 N LYS A 63 9.027 23.786 -13.380 1.00 0.00 N ATOM 660 CA LYS A 63 9.943 23.652 -14.530 1.00 0.00 C ATOM 661 C LYS A 63 9.211 23.629 -15.885 1.00 0.00 C ATOM 662 O LYS A 63 9.847 23.799 -16.924 1.00 0.00 O ATOM 663 CB LYS A 63 10.841 22.407 -14.333 1.00 0.00 C ATOM 664 CG LYS A 63 12.340 22.720 -14.280 1.00 0.00 C ATOM 665 CD LYS A 63 12.747 23.290 -12.912 1.00 0.00 C ATOM 666 CE LYS A 63 14.234 23.682 -12.868 1.00 0.00 C ATOM 667 NZ LYS A 63 15.149 22.519 -13.046 1.00 0.00 N ATOM 0 H LYS A 63 8.993 22.944 -12.805 1.00 0.00 H new ATOM 0 HA LYS A 63 10.572 24.541 -14.562 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.552 21.906 -13.409 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.656 21.706 -15.147 1.00 0.00 H new ATOM 0 HG2 LYS A 63 12.910 21.813 -14.482 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.592 23.435 -15.063 1.00 0.00 H new ATOM 0 HD2 LYS A 63 12.135 24.164 -12.687 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.544 22.551 -12.137 1.00 0.00 H new ATOM 0 HE2 LYS A 63 14.433 24.417 -13.648 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.449 24.164 -11.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 16.097 22.766 -12.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.784 21.705 -12.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 15.206 22.273 -14.055 1.00 0.00 H new ATOM 681 N GLN A 64 7.882 23.461 -15.861 1.00 0.00 N ATOM 682 CA GLN A 64 6.904 23.595 -16.953 1.00 0.00 C ATOM 683 C GLN A 64 7.296 22.850 -18.239 1.00 0.00 C ATOM 684 O GLN A 64 7.294 23.397 -19.343 1.00 0.00 O ATOM 685 CB GLN A 64 6.431 25.053 -17.096 1.00 0.00 C ATOM 686 CG GLN A 64 7.516 26.068 -17.483 1.00 0.00 C ATOM 687 CD GLN A 64 7.103 27.490 -17.113 1.00 0.00 C ATOM 688 OE1 GLN A 64 6.639 28.274 -17.932 1.00 0.00 O ATOM 689 NE2 GLN A 64 7.249 27.870 -15.857 1.00 0.00 N ATOM 0 H GLN A 64 7.417 23.202 -14.991 1.00 0.00 H new ATOM 0 HA GLN A 64 6.003 23.048 -16.677 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.642 25.088 -17.847 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.986 25.366 -16.151 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.449 25.816 -16.980 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.706 26.009 -18.555 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.635 27.222 -15.170 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.976 28.811 -15.574 1.00 0.00 H new ATOM 698 N LEU A 65 7.649 21.570 -18.064 1.00 0.00 N ATOM 699 CA LEU A 65 8.235 20.717 -19.108 1.00 0.00 C ATOM 700 C LEU A 65 7.187 19.976 -19.966 1.00 0.00 C ATOM 701 O LEU A 65 7.542 19.129 -20.782 1.00 0.00 O ATOM 702 CB LEU A 65 9.205 19.703 -18.463 1.00 0.00 C ATOM 703 CG LEU A 65 10.357 20.298 -17.637 1.00 0.00 C ATOM 704 CD1 LEU A 65 10.978 19.266 -16.697 1.00 0.00 C ATOM 705 CD2 LEU A 65 11.453 20.893 -18.518 1.00 0.00 C ATOM 0 H LEU A 65 7.533 21.087 -17.173 1.00 0.00 H new ATOM 0 HA LEU A 65 8.770 21.379 -19.789 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.628 19.039 -17.819 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.633 19.087 -19.254 1.00 0.00 H new ATOM 0 HG LEU A 65 9.912 21.097 -17.044 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.788 19.729 -16.133 1.00 0.00 H new ATOM 0 HD12 LEU A 65 10.218 18.899 -16.007 1.00 0.00 H new ATOM 0 HD13 LEU A 65 11.372 18.433 -17.280 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.244 21.301 -17.889 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.865 20.115 -19.161 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.033 21.688 -19.134 1.00 0.00 H new ATOM 717 N TYR A 66 5.895 20.223 -19.753 1.00 0.00 N ATOM 718 CA TYR A 66 4.795 19.540 -20.442 1.00 0.00 C ATOM 719 C TYR A 66 4.380 20.236 -21.750 1.00 0.00 C ATOM 720 O TYR A 66 4.700 21.408 -21.979 1.00 0.00 O ATOM 721 CB TYR A 66 3.620 19.372 -19.471 1.00 0.00 C ATOM 722 CG TYR A 66 3.165 20.677 -18.854 1.00 0.00 C ATOM 723 CD1 TYR A 66 2.314 21.537 -19.571 1.00 0.00 C ATOM 724 CD2 TYR A 66 3.670 21.066 -17.600 1.00 0.00 C ATOM 725 CE1 TYR A 66 1.969 22.795 -19.045 1.00 0.00 C ATOM 726 CE2 TYR A 66 3.320 22.321 -17.062 1.00 0.00 C ATOM 727 CZ TYR A 66 2.474 23.191 -17.785 1.00 0.00 C ATOM 728 OH TYR A 66 2.168 24.415 -17.273 1.00 0.00 O ATOM 0 H TYR A 66 5.574 20.920 -19.081 1.00 0.00 H new ATOM 0 HA TYR A 66 5.144 18.554 -20.750 1.00 0.00 H new ATOM 0 HB2 TYR A 66 2.783 18.916 -19.999 1.00 0.00 H new ATOM 0 HB3 TYR A 66 3.909 18.683 -18.677 1.00 0.00 H new ATOM 0 HD1 TYR A 66 1.924 21.230 -20.530 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.324 20.405 -17.051 1.00 0.00 H new ATOM 0 HE1 TYR A 66 1.321 23.456 -19.601 1.00 0.00 H new ATOM 0 HE2 TYR A 66 3.699 22.618 -16.095 1.00 0.00 H new ATOM 0 HH TYR A 66 2.598 24.521 -16.399 1.00 0.00 H new ATOM 738 N ASP A 67 3.663 19.521 -22.622 1.00 0.00 N ATOM 739 CA ASP A 67 3.210 20.062 -23.911 1.00 0.00 C ATOM 740 C ASP A 67 1.969 20.970 -23.789 1.00 0.00 C ATOM 741 O ASP A 67 1.130 20.795 -22.903 1.00 0.00 O ATOM 742 CB ASP A 67 2.962 18.939 -24.931 1.00 0.00 C ATOM 743 CG ASP A 67 3.437 19.326 -26.343 1.00 0.00 C ATOM 744 OD1 ASP A 67 3.303 20.516 -26.718 1.00 0.00 O ATOM 745 OD2 ASP A 67 3.942 18.445 -27.079 1.00 0.00 O ATOM 0 H ASP A 67 3.380 18.555 -22.457 1.00 0.00 H new ATOM 0 HA ASP A 67 4.022 20.692 -24.273 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.481 18.036 -24.609 1.00 0.00 H new ATOM 0 HB3 ASP A 67 1.898 18.703 -24.959 1.00 0.00 H new ATOM 750 N GLN A 68 1.822 21.922 -24.715 1.00 0.00 N ATOM 751 CA GLN A 68 0.715 22.889 -24.726 1.00 0.00 C ATOM 752 C GLN A 68 -0.648 22.262 -25.066 1.00 0.00 C ATOM 753 O GLN A 68 -1.635 22.505 -24.368 1.00 0.00 O ATOM 754 CB GLN A 68 1.003 24.106 -25.630 1.00 0.00 C ATOM 755 CG GLN A 68 2.073 24.035 -26.741 1.00 0.00 C ATOM 756 CD GLN A 68 1.563 23.436 -28.049 1.00 0.00 C ATOM 757 OE1 GLN A 68 0.787 24.045 -28.775 1.00 0.00 O ATOM 758 NE2 GLN A 68 1.942 22.228 -28.404 1.00 0.00 N ATOM 0 H GLN A 68 2.475 22.046 -25.488 1.00 0.00 H new ATOM 0 HA GLN A 68 0.646 23.245 -23.698 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.062 24.378 -26.109 1.00 0.00 H new ATOM 0 HB3 GLN A 68 1.277 24.933 -24.975 1.00 0.00 H new ATOM 0 HG2 GLN A 68 2.450 25.039 -26.935 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.915 23.442 -26.384 1.00 0.00 H new ATOM 0 HE21 GLN A 68 2.588 21.702 -27.815 1.00 0.00 H new ATOM 0 HE22 GLN A 68 1.590 21.817 -29.269 1.00 0.00 H new ATOM 767 N GLN A 69 -0.704 21.442 -26.121 1.00 0.00 N ATOM 768 CA GLN A 69 -1.919 20.708 -26.507 1.00 0.00 C ATOM 769 C GLN A 69 -2.189 19.468 -25.635 1.00 0.00 C ATOM 770 O GLN A 69 -3.308 18.951 -25.634 1.00 0.00 O ATOM 771 CB GLN A 69 -1.864 20.312 -27.994 1.00 0.00 C ATOM 772 CG GLN A 69 -1.681 21.476 -28.983 1.00 0.00 C ATOM 773 CD GLN A 69 -2.617 22.664 -28.747 1.00 0.00 C ATOM 774 OE1 GLN A 69 -3.827 22.530 -28.604 1.00 0.00 O ATOM 775 NE2 GLN A 69 -2.095 23.872 -28.694 1.00 0.00 N ATOM 0 H GLN A 69 0.092 21.267 -26.734 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.752 21.392 -26.341 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.045 19.607 -28.134 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -2.784 19.785 -28.246 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -0.650 21.825 -28.926 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.836 21.103 -29.996 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -1.090 23.999 -28.811 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -2.696 24.681 -28.536 1.00 0.00 H new ATOM 784 N GLU A 70 -1.184 18.980 -24.899 1.00 0.00 N ATOM 785 CA GLU A 70 -1.287 17.763 -24.081 1.00 0.00 C ATOM 786 C GLU A 70 -0.376 17.828 -22.844 1.00 0.00 C ATOM 787 O GLU A 70 0.739 17.308 -22.826 1.00 0.00 O ATOM 788 CB GLU A 70 -1.073 16.488 -24.932 1.00 0.00 C ATOM 789 CG GLU A 70 0.003 16.581 -26.027 1.00 0.00 C ATOM 790 CD GLU A 70 0.065 15.281 -26.855 1.00 0.00 C ATOM 791 OE1 GLU A 70 -0.832 15.055 -27.705 1.00 0.00 O ATOM 792 OE2 GLU A 70 1.018 14.481 -26.686 1.00 0.00 O ATOM 0 H GLU A 70 -0.266 19.422 -24.853 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.305 17.704 -23.697 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.812 15.668 -24.263 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.021 16.226 -25.403 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.213 17.424 -26.683 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.975 16.773 -25.571 1.00 0.00 H new ATOM 799 N GLN A 71 -0.912 18.410 -21.765 1.00 0.00 N ATOM 800 CA GLN A 71 -0.319 18.436 -20.417 1.00 0.00 C ATOM 801 C GLN A 71 -0.015 17.022 -19.880 1.00 0.00 C ATOM 802 O GLN A 71 0.851 16.843 -19.022 1.00 0.00 O ATOM 803 CB GLN A 71 -1.293 19.128 -19.446 1.00 0.00 C ATOM 804 CG GLN A 71 -1.437 20.652 -19.637 1.00 0.00 C ATOM 805 CD GLN A 71 -2.100 21.091 -20.948 1.00 0.00 C ATOM 806 OE1 GLN A 71 -2.927 20.403 -21.536 1.00 0.00 O ATOM 807 NE2 GLN A 71 -1.763 22.254 -21.462 1.00 0.00 N ATOM 0 H GLN A 71 -1.808 18.897 -21.806 1.00 0.00 H new ATOM 0 HA GLN A 71 0.623 18.980 -20.488 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.276 18.670 -19.554 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.962 18.935 -18.425 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -2.016 21.052 -18.805 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.446 21.103 -19.582 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -1.077 22.841 -20.988 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -2.188 22.568 -22.334 1.00 0.00 H new ATOM 816 N HIS A 72 -0.716 16.017 -20.423 1.00 0.00 N ATOM 817 CA HIS A 72 -0.481 14.586 -20.218 1.00 0.00 C ATOM 818 C HIS A 72 0.976 14.167 -20.507 1.00 0.00 C ATOM 819 O HIS A 72 1.498 13.288 -19.816 1.00 0.00 O ATOM 820 CB HIS A 72 -1.500 13.823 -21.101 1.00 0.00 C ATOM 821 CG HIS A 72 -1.048 12.504 -21.693 1.00 0.00 C ATOM 822 ND1 HIS A 72 -0.121 12.366 -22.730 1.00 0.00 N ATOM 823 CD2 HIS A 72 -1.562 11.273 -21.403 1.00 0.00 C ATOM 824 CE1 HIS A 72 -0.073 11.057 -23.019 1.00 0.00 C ATOM 825 NE2 HIS A 72 -0.926 10.375 -22.235 1.00 0.00 N ATOM 0 H HIS A 72 -1.502 16.192 -21.049 1.00 0.00 H new ATOM 0 HA HIS A 72 -0.628 14.336 -19.167 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -2.393 13.638 -20.504 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -1.795 14.478 -21.921 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -2.319 11.046 -20.666 1.00 0.00 H new ATOM 0 HE1 HIS A 72 0.560 10.614 -23.774 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -1.077 9.366 -22.252 1.00 0.00 H new ATOM 833 N MET A 73 1.628 14.803 -21.487 1.00 0.00 N ATOM 834 CA MET A 73 2.980 14.497 -21.962 1.00 0.00 C ATOM 835 C MET A 73 4.011 15.460 -21.357 1.00 0.00 C ATOM 836 O MET A 73 3.791 16.672 -21.332 1.00 0.00 O ATOM 837 CB MET A 73 2.986 14.557 -23.498 1.00 0.00 C ATOM 838 CG MET A 73 4.341 14.204 -24.118 1.00 0.00 C ATOM 839 SD MET A 73 4.932 12.530 -23.750 1.00 0.00 S ATOM 840 CE MET A 73 6.494 12.582 -24.663 1.00 0.00 C ATOM 0 H MET A 73 1.206 15.582 -21.994 1.00 0.00 H new ATOM 0 HA MET A 73 3.263 13.495 -21.640 1.00 0.00 H new ATOM 0 HB2 MET A 73 2.230 13.873 -23.883 1.00 0.00 H new ATOM 0 HB3 MET A 73 2.700 15.560 -23.816 1.00 0.00 H new ATOM 0 HG2 MET A 73 4.271 14.320 -25.200 1.00 0.00 H new ATOM 0 HG3 MET A 73 5.083 14.921 -23.768 1.00 0.00 H new ATOM 0 HE1 MET A 73 7.067 11.678 -24.456 1.00 0.00 H new ATOM 0 HE2 MET A 73 6.289 12.644 -25.732 1.00 0.00 H new ATOM 0 HE3 MET A 73 7.068 13.455 -24.352 1.00 0.00 H new ATOM 850 N VAL A 74 5.146 14.927 -20.895 1.00 0.00 N ATOM 851 CA VAL A 74 6.171 15.626 -20.100 1.00 0.00 C ATOM 852 C VAL A 74 7.572 15.360 -20.675 1.00 0.00 C ATOM 853 O VAL A 74 7.912 14.222 -20.998 1.00 0.00 O ATOM 854 CB VAL A 74 6.115 15.156 -18.629 1.00 0.00 C ATOM 855 CG1 VAL A 74 7.122 15.924 -17.767 1.00 0.00 C ATOM 856 CG2 VAL A 74 4.724 15.357 -18.006 1.00 0.00 C ATOM 0 H VAL A 74 5.390 13.952 -21.071 1.00 0.00 H new ATOM 0 HA VAL A 74 5.969 16.696 -20.143 1.00 0.00 H new ATOM 0 HB VAL A 74 6.355 14.093 -18.647 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.061 15.573 -16.737 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.129 15.757 -18.148 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.893 16.989 -17.802 1.00 0.00 H new ATOM 0 HG21 VAL A 74 4.735 15.012 -16.972 1.00 0.00 H new ATOM 0 HG22 VAL A 74 4.463 16.415 -18.033 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.986 14.787 -18.571 1.00 0.00 H new ATOM 866 N TYR A 75 8.404 16.397 -20.766 1.00 0.00 N ATOM 867 CA TYR A 75 9.818 16.343 -21.165 1.00 0.00 C ATOM 868 C TYR A 75 10.771 16.534 -19.964 1.00 0.00 C ATOM 869 O TYR A 75 10.333 16.782 -18.843 1.00 0.00 O ATOM 870 CB TYR A 75 10.046 17.372 -22.284 1.00 0.00 C ATOM 871 CG TYR A 75 9.276 16.987 -23.529 1.00 0.00 C ATOM 872 CD1 TYR A 75 9.736 15.898 -24.289 1.00 0.00 C ATOM 873 CD2 TYR A 75 8.057 17.613 -23.857 1.00 0.00 C ATOM 874 CE1 TYR A 75 8.964 15.407 -25.353 1.00 0.00 C ATOM 875 CE2 TYR A 75 7.291 17.138 -24.940 1.00 0.00 C ATOM 876 CZ TYR A 75 7.740 16.027 -25.690 1.00 0.00 C ATOM 877 OH TYR A 75 7.002 15.546 -26.728 1.00 0.00 O ATOM 0 H TYR A 75 8.099 17.347 -20.554 1.00 0.00 H new ATOM 0 HA TYR A 75 10.053 15.350 -21.549 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.731 18.360 -21.947 1.00 0.00 H new ATOM 0 HB3 TYR A 75 11.110 17.437 -22.514 1.00 0.00 H new ATOM 0 HD1 TYR A 75 10.685 15.439 -24.054 1.00 0.00 H new ATOM 0 HD2 TYR A 75 7.710 18.456 -23.279 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.307 14.552 -25.916 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.361 17.623 -25.197 1.00 0.00 H new ATOM 0 HH TYR A 75 6.189 16.083 -26.828 1.00 0.00 H new ATOM 887 N CYS A 76 12.083 16.403 -20.183 1.00 0.00 N ATOM 888 CA CYS A 76 13.149 16.616 -19.184 1.00 0.00 C ATOM 889 C CYS A 76 14.525 16.949 -19.804 1.00 0.00 C ATOM 890 O CYS A 76 15.566 16.763 -19.166 1.00 0.00 O ATOM 891 CB CYS A 76 13.216 15.375 -18.277 1.00 0.00 C ATOM 892 SG CYS A 76 12.426 15.730 -16.687 1.00 0.00 S ATOM 0 H CYS A 76 12.452 16.135 -21.095 1.00 0.00 H new ATOM 0 HA CYS A 76 12.895 17.499 -18.598 1.00 0.00 H new ATOM 0 HB2 CYS A 76 12.719 14.534 -18.760 1.00 0.00 H new ATOM 0 HB3 CYS A 76 14.255 15.084 -18.120 1.00 0.00 H new ATOM 0 HG CYS A 76 11.273 16.295 -16.892 1.00 0.00 H new ATOM 898 N GLY A 77 14.539 17.412 -21.059 1.00 0.00 N ATOM 899 CA GLY A 77 15.755 17.557 -21.861 1.00 0.00 C ATOM 900 C GLY A 77 16.861 18.371 -21.180 1.00 0.00 C ATOM 901 O GLY A 77 16.702 19.565 -20.913 1.00 0.00 O ATOM 0 H GLY A 77 13.693 17.700 -21.551 1.00 0.00 H new ATOM 0 HA2 GLY A 77 16.142 16.566 -22.098 1.00 0.00 H new ATOM 0 HA3 GLY A 77 15.499 18.033 -22.807 1.00 0.00 H new ATOM 905 N GLY A 78 17.982 17.704 -20.902 1.00 0.00 N ATOM 906 CA GLY A 78 19.173 18.269 -20.271 1.00 0.00 C ATOM 907 C GLY A 78 19.069 18.571 -18.768 1.00 0.00 C ATOM 908 O GLY A 78 20.006 19.177 -18.241 1.00 0.00 O ATOM 0 H GLY A 78 18.088 16.713 -21.120 1.00 0.00 H new ATOM 0 HA2 GLY A 78 20.002 17.578 -20.425 1.00 0.00 H new ATOM 0 HA3 GLY A 78 19.429 19.193 -20.789 1.00 0.00 H new ATOM 912 N ASP A 79 17.991 18.197 -18.058 1.00 0.00 N ATOM 913 CA ASP A 79 17.838 18.528 -16.636 1.00 0.00 C ATOM 914 C ASP A 79 18.282 17.377 -15.711 1.00 0.00 C ATOM 915 O ASP A 79 18.301 16.196 -16.082 1.00 0.00 O ATOM 916 CB ASP A 79 16.405 19.022 -16.346 1.00 0.00 C ATOM 917 CG ASP A 79 16.366 20.159 -15.302 1.00 0.00 C ATOM 918 OD1 ASP A 79 17.228 20.194 -14.392 1.00 0.00 O ATOM 919 OD2 ASP A 79 15.480 21.042 -15.398 1.00 0.00 O ATOM 0 H ASP A 79 17.213 17.665 -18.449 1.00 0.00 H new ATOM 0 HA ASP A 79 18.515 19.351 -16.408 1.00 0.00 H new ATOM 0 HB2 ASP A 79 15.951 19.370 -17.274 1.00 0.00 H new ATOM 0 HB3 ASP A 79 15.802 18.187 -15.990 1.00 0.00 H new ATOM 924 N LEU A 80 18.593 17.721 -14.461 1.00 0.00 N ATOM 925 CA LEU A 80 18.960 16.764 -13.416 1.00 0.00 C ATOM 926 C LEU A 80 17.822 15.777 -13.109 1.00 0.00 C ATOM 927 O LEU A 80 18.085 14.647 -12.707 1.00 0.00 O ATOM 928 CB LEU A 80 19.459 17.499 -12.165 1.00 0.00 C ATOM 929 CG LEU A 80 20.763 18.296 -12.357 1.00 0.00 C ATOM 930 CD1 LEU A 80 21.117 18.991 -11.040 1.00 0.00 C ATOM 931 CD2 LEU A 80 21.952 17.426 -12.766 1.00 0.00 C ATOM 0 H LEU A 80 18.597 18.689 -14.140 1.00 0.00 H new ATOM 0 HA LEU A 80 19.784 16.156 -13.789 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.679 18.182 -11.828 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.610 16.770 -11.369 1.00 0.00 H new ATOM 0 HG LEU A 80 20.581 19.006 -13.163 1.00 0.00 H new ATOM 0 HD11 LEU A 80 22.039 19.559 -11.165 1.00 0.00 H new ATOM 0 HD12 LEU A 80 20.310 19.667 -10.757 1.00 0.00 H new ATOM 0 HD13 LEU A 80 21.254 18.243 -10.259 1.00 0.00 H new ATOM 0 HD21 LEU A 80 22.837 18.051 -12.884 1.00 0.00 H new ATOM 0 HD22 LEU A 80 22.137 16.677 -11.996 1.00 0.00 H new ATOM 0 HD23 LEU A 80 21.731 16.928 -13.710 1.00 0.00 H new ATOM 943 N LEU A 81 16.559 16.166 -13.317 1.00 0.00 N ATOM 944 CA LEU A 81 15.438 15.222 -13.253 1.00 0.00 C ATOM 945 C LEU A 81 15.523 14.148 -14.358 1.00 0.00 C ATOM 946 O LEU A 81 15.332 12.973 -14.063 1.00 0.00 O ATOM 947 CB LEU A 81 14.103 15.990 -13.272 1.00 0.00 C ATOM 948 CG LEU A 81 12.864 15.077 -13.125 1.00 0.00 C ATOM 949 CD1 LEU A 81 12.883 14.235 -11.844 1.00 0.00 C ATOM 950 CD2 LEU A 81 11.577 15.898 -13.092 1.00 0.00 C ATOM 0 H LEU A 81 16.288 17.126 -13.531 1.00 0.00 H new ATOM 0 HA LEU A 81 15.496 14.677 -12.311 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.103 16.722 -12.465 1.00 0.00 H new ATOM 0 HB3 LEU A 81 14.026 16.546 -14.206 1.00 0.00 H new ATOM 0 HG LEU A 81 12.897 14.418 -13.993 1.00 0.00 H new ATOM 0 HD11 LEU A 81 11.986 13.617 -11.802 1.00 0.00 H new ATOM 0 HD12 LEU A 81 13.765 13.595 -11.842 1.00 0.00 H new ATOM 0 HD13 LEU A 81 12.911 14.894 -10.976 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.722 15.230 -12.988 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.605 16.585 -12.247 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.484 16.465 -14.018 1.00 0.00 H new ATOM 962 N GLY A 82 15.888 14.507 -15.595 1.00 0.00 N ATOM 963 CA GLY A 82 16.169 13.534 -16.666 1.00 0.00 C ATOM 964 C GLY A 82 17.379 12.649 -16.356 1.00 0.00 C ATOM 965 O GLY A 82 17.318 11.439 -16.571 1.00 0.00 O ATOM 0 H GLY A 82 15.998 15.479 -15.885 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.293 12.904 -16.818 1.00 0.00 H new ATOM 0 HA3 GLY A 82 16.344 14.068 -17.600 1.00 0.00 H new ATOM 969 N GLU A 83 18.442 13.206 -15.764 1.00 0.00 N ATOM 970 CA GLU A 83 19.590 12.460 -15.279 1.00 0.00 C ATOM 971 C GLU A 83 19.189 11.432 -14.202 1.00 0.00 C ATOM 972 O GLU A 83 19.615 10.276 -14.254 1.00 0.00 O ATOM 973 CB GLU A 83 20.584 13.502 -14.743 1.00 0.00 C ATOM 974 CG GLU A 83 21.858 12.819 -14.304 1.00 0.00 C ATOM 975 CD GLU A 83 22.936 13.811 -13.830 1.00 0.00 C ATOM 976 OE1 GLU A 83 23.571 14.478 -14.684 1.00 0.00 O ATOM 977 OE2 GLU A 83 23.186 13.901 -12.603 1.00 0.00 O ATOM 0 H GLU A 83 18.522 14.211 -15.609 1.00 0.00 H new ATOM 0 HA GLU A 83 20.042 11.872 -16.078 1.00 0.00 H new ATOM 0 HB2 GLU A 83 20.804 14.239 -15.516 1.00 0.00 H new ATOM 0 HB3 GLU A 83 20.143 14.041 -13.905 1.00 0.00 H new ATOM 0 HG2 GLU A 83 21.632 12.123 -13.496 1.00 0.00 H new ATOM 0 HG3 GLU A 83 22.252 12.230 -15.132 1.00 0.00 H new ATOM 984 N LEU A 84 18.332 11.835 -13.256 1.00 0.00 N ATOM 985 CA LEU A 84 17.858 10.992 -12.160 1.00 0.00 C ATOM 986 C LEU A 84 16.916 9.874 -12.649 1.00 0.00 C ATOM 987 O LEU A 84 17.074 8.711 -12.275 1.00 0.00 O ATOM 988 CB LEU A 84 17.181 11.903 -11.116 1.00 0.00 C ATOM 989 CG LEU A 84 16.450 11.183 -9.966 1.00 0.00 C ATOM 990 CD1 LEU A 84 17.358 10.246 -9.169 1.00 0.00 C ATOM 991 CD2 LEU A 84 15.865 12.225 -9.012 1.00 0.00 C ATOM 0 H LEU A 84 17.942 12.777 -13.234 1.00 0.00 H new ATOM 0 HA LEU A 84 18.704 10.477 -11.705 1.00 0.00 H new ATOM 0 HB2 LEU A 84 17.940 12.556 -10.685 1.00 0.00 H new ATOM 0 HB3 LEU A 84 16.465 12.543 -11.631 1.00 0.00 H new ATOM 0 HG LEU A 84 15.669 10.573 -10.420 1.00 0.00 H new ATOM 0 HD11 LEU A 84 16.783 9.770 -8.375 1.00 0.00 H new ATOM 0 HD12 LEU A 84 17.763 9.481 -9.832 1.00 0.00 H new ATOM 0 HD13 LEU A 84 18.177 10.818 -8.732 1.00 0.00 H new ATOM 0 HD21 LEU A 84 15.347 11.721 -8.196 1.00 0.00 H new ATOM 0 HD22 LEU A 84 16.669 12.839 -8.606 1.00 0.00 H new ATOM 0 HD23 LEU A 84 15.162 12.859 -9.552 1.00 0.00 H new ATOM 1003 N LEU A 85 15.951 10.224 -13.504 1.00 0.00 N ATOM 1004 CA LEU A 85 14.991 9.294 -14.110 1.00 0.00 C ATOM 1005 C LEU A 85 15.635 8.353 -15.146 1.00 0.00 C ATOM 1006 O LEU A 85 15.100 7.277 -15.414 1.00 0.00 O ATOM 1007 CB LEU A 85 13.869 10.115 -14.779 1.00 0.00 C ATOM 1008 CG LEU A 85 12.916 10.844 -13.810 1.00 0.00 C ATOM 1009 CD1 LEU A 85 11.922 11.674 -14.620 1.00 0.00 C ATOM 1010 CD2 LEU A 85 12.110 9.897 -12.924 1.00 0.00 C ATOM 0 H LEU A 85 15.811 11.189 -13.803 1.00 0.00 H new ATOM 0 HA LEU A 85 14.596 8.659 -13.317 1.00 0.00 H new ATOM 0 HB2 LEU A 85 14.326 10.854 -15.437 1.00 0.00 H new ATOM 0 HB3 LEU A 85 13.280 9.448 -15.408 1.00 0.00 H new ATOM 0 HG LEU A 85 13.543 11.458 -13.164 1.00 0.00 H new ATOM 0 HD11 LEU A 85 11.244 12.193 -13.942 1.00 0.00 H new ATOM 0 HD12 LEU A 85 12.463 12.404 -15.222 1.00 0.00 H new ATOM 0 HD13 LEU A 85 11.349 11.018 -15.275 1.00 0.00 H new ATOM 0 HD21 LEU A 85 11.461 10.477 -12.268 1.00 0.00 H new ATOM 0 HD22 LEU A 85 11.503 9.243 -13.549 1.00 0.00 H new ATOM 0 HD23 LEU A 85 12.790 9.295 -12.322 1.00 0.00 H new ATOM 1022 N GLY A 86 16.747 8.766 -15.766 1.00 0.00 N ATOM 1023 CA GLY A 86 17.365 8.078 -16.906 1.00 0.00 C ATOM 1024 C GLY A 86 16.619 8.285 -18.234 1.00 0.00 C ATOM 1025 O GLY A 86 16.991 7.685 -19.246 1.00 0.00 O ATOM 0 H GLY A 86 17.253 9.605 -15.483 1.00 0.00 H new ATOM 0 HA2 GLY A 86 18.391 8.429 -17.018 1.00 0.00 H new ATOM 0 HA3 GLY A 86 17.415 7.011 -16.691 1.00 0.00 H new ATOM 1029 N ARG A 87 15.570 9.125 -18.239 1.00 0.00 N ATOM 1030 CA ARG A 87 14.716 9.456 -19.392 1.00 0.00 C ATOM 1031 C ARG A 87 14.378 10.941 -19.457 1.00 0.00 C ATOM 1032 O ARG A 87 14.087 11.564 -18.442 1.00 0.00 O ATOM 1033 CB ARG A 87 13.421 8.614 -19.359 1.00 0.00 C ATOM 1034 CG ARG A 87 13.619 7.191 -19.907 1.00 0.00 C ATOM 1035 CD ARG A 87 12.340 6.338 -19.865 1.00 0.00 C ATOM 1036 NE ARG A 87 11.190 6.993 -20.523 1.00 0.00 N ATOM 1037 CZ ARG A 87 9.943 6.562 -20.566 1.00 0.00 C ATOM 1038 NH1 ARG A 87 9.551 5.407 -20.119 1.00 0.00 N ATOM 1039 NH2 ARG A 87 9.011 7.307 -21.062 1.00 0.00 N ATOM 0 H ARG A 87 15.280 9.617 -17.394 1.00 0.00 H new ATOM 0 HA ARG A 87 15.283 9.215 -20.291 1.00 0.00 H new ATOM 0 HB2 ARG A 87 13.058 8.556 -18.333 1.00 0.00 H new ATOM 0 HB3 ARG A 87 12.650 9.119 -19.942 1.00 0.00 H new ATOM 0 HG2 ARG A 87 13.973 7.252 -20.936 1.00 0.00 H new ATOM 0 HG3 ARG A 87 14.399 6.693 -19.331 1.00 0.00 H new ATOM 0 HD2 ARG A 87 12.532 5.380 -20.349 1.00 0.00 H new ATOM 0 HD3 ARG A 87 12.085 6.125 -18.827 1.00 0.00 H new ATOM 0 HE ARG A 87 11.381 7.876 -20.996 1.00 0.00 H new ATOM 0 HH11 ARG A 87 10.226 4.766 -19.701 1.00 0.00 H new ATOM 0 HH12 ARG A 87 8.569 5.141 -20.186 1.00 0.00 H new ATOM 0 HH21 ARG A 87 9.237 8.234 -21.423 1.00 0.00 H new ATOM 0 HH22 ARG A 87 8.049 6.968 -21.092 1.00 0.00 H new ATOM 1053 N GLN A 88 14.360 11.479 -20.679 1.00 0.00 N ATOM 1054 CA GLN A 88 14.075 12.894 -20.968 1.00 0.00 C ATOM 1055 C GLN A 88 12.653 13.130 -21.507 1.00 0.00 C ATOM 1056 O GLN A 88 12.321 14.246 -21.905 1.00 0.00 O ATOM 1057 CB GLN A 88 15.173 13.488 -21.863 1.00 0.00 C ATOM 1058 CG GLN A 88 16.555 13.366 -21.197 1.00 0.00 C ATOM 1059 CD GLN A 88 17.678 13.910 -22.078 1.00 0.00 C ATOM 1060 OE1 GLN A 88 18.187 15.003 -21.874 1.00 0.00 O ATOM 1061 NE2 GLN A 88 18.106 13.186 -23.092 1.00 0.00 N ATOM 0 H GLN A 88 14.548 10.932 -21.519 1.00 0.00 H new ATOM 0 HA GLN A 88 14.095 13.435 -20.022 1.00 0.00 H new ATOM 0 HB2 GLN A 88 15.182 12.973 -22.824 1.00 0.00 H new ATOM 0 HB3 GLN A 88 14.954 14.537 -22.065 1.00 0.00 H new ATOM 0 HG2 GLN A 88 16.547 13.905 -20.250 1.00 0.00 H new ATOM 0 HG3 GLN A 88 16.753 12.319 -20.967 1.00 0.00 H new ATOM 0 HE21 GLN A 88 17.693 12.272 -23.277 1.00 0.00 H new ATOM 0 HE22 GLN A 88 18.851 13.539 -23.693 1.00 0.00 H new ATOM 1070 N SER A 89 11.803 12.101 -21.504 1.00 0.00 N ATOM 1071 CA SER A 89 10.360 12.212 -21.764 1.00 0.00 C ATOM 1072 C SER A 89 9.562 11.059 -21.142 1.00 0.00 C ATOM 1073 O SER A 89 10.032 9.920 -21.081 1.00 0.00 O ATOM 1074 CB SER A 89 10.061 12.336 -23.263 1.00 0.00 C ATOM 1075 OG SER A 89 10.454 11.171 -23.978 1.00 0.00 O ATOM 0 H SER A 89 12.102 11.144 -21.317 1.00 0.00 H new ATOM 0 HA SER A 89 10.032 13.131 -21.278 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.995 12.509 -23.408 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.582 13.204 -23.667 1.00 0.00 H new ATOM 0 HG SER A 89 10.247 11.285 -24.929 1.00 0.00 H new ATOM 1081 N PHE A 90 8.361 11.363 -20.646 1.00 0.00 N ATOM 1082 CA PHE A 90 7.412 10.447 -19.993 1.00 0.00 C ATOM 1083 C PHE A 90 5.997 11.064 -19.979 1.00 0.00 C ATOM 1084 O PHE A 90 5.796 12.178 -20.462 1.00 0.00 O ATOM 1085 CB PHE A 90 7.910 10.109 -18.573 1.00 0.00 C ATOM 1086 CG PHE A 90 8.113 11.283 -17.632 1.00 0.00 C ATOM 1087 CD1 PHE A 90 9.350 11.957 -17.604 1.00 0.00 C ATOM 1088 CD2 PHE A 90 7.087 11.670 -16.748 1.00 0.00 C ATOM 1089 CE1 PHE A 90 9.559 13.012 -16.699 1.00 0.00 C ATOM 1090 CE2 PHE A 90 7.301 12.721 -15.838 1.00 0.00 C ATOM 1091 CZ PHE A 90 8.540 13.386 -15.808 1.00 0.00 C ATOM 0 H PHE A 90 7.998 12.315 -20.690 1.00 0.00 H new ATOM 0 HA PHE A 90 7.353 9.516 -20.557 1.00 0.00 H new ATOM 0 HB2 PHE A 90 7.197 9.423 -18.115 1.00 0.00 H new ATOM 0 HB3 PHE A 90 8.856 9.574 -18.661 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.139 11.662 -18.280 1.00 0.00 H new ATOM 0 HD2 PHE A 90 6.135 11.160 -16.769 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.504 13.535 -16.689 1.00 0.00 H new ATOM 0 HE2 PHE A 90 6.513 13.018 -15.162 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.708 14.184 -15.100 1.00 0.00 H new ATOM 1101 N SER A 91 4.993 10.361 -19.447 1.00 0.00 N ATOM 1102 CA SER A 91 3.610 10.860 -19.387 1.00 0.00 C ATOM 1103 C SER A 91 2.885 10.457 -18.101 1.00 0.00 C ATOM 1104 O SER A 91 3.346 9.593 -17.351 1.00 0.00 O ATOM 1105 CB SER A 91 2.830 10.370 -20.614 1.00 0.00 C ATOM 1106 OG SER A 91 2.458 9.012 -20.450 1.00 0.00 O ATOM 0 H SER A 91 5.112 9.431 -19.046 1.00 0.00 H new ATOM 0 HA SER A 91 3.660 11.949 -19.387 1.00 0.00 H new ATOM 0 HB2 SER A 91 1.940 10.983 -20.757 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.441 10.481 -21.510 1.00 0.00 H new ATOM 0 HG SER A 91 1.960 8.712 -21.239 1.00 0.00 H new ATOM 1112 N VAL A 92 1.698 11.031 -17.874 1.00 0.00 N ATOM 1113 CA VAL A 92 0.769 10.608 -16.806 1.00 0.00 C ATOM 1114 C VAL A 92 0.288 9.147 -16.969 1.00 0.00 C ATOM 1115 O VAL A 92 -0.139 8.525 -15.996 1.00 0.00 O ATOM 1116 CB VAL A 92 -0.397 11.616 -16.703 1.00 0.00 C ATOM 1117 CG1 VAL A 92 -1.308 11.603 -17.936 1.00 0.00 C ATOM 1118 CG2 VAL A 92 -1.264 11.416 -15.458 1.00 0.00 C ATOM 0 H VAL A 92 1.347 11.811 -18.429 1.00 0.00 H new ATOM 0 HA VAL A 92 1.311 10.615 -15.861 1.00 0.00 H new ATOM 0 HB VAL A 92 0.099 12.584 -16.633 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.108 12.331 -17.805 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.726 11.859 -18.821 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.739 10.609 -18.060 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.063 12.157 -15.449 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.696 10.416 -15.473 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.650 11.533 -14.565 1.00 0.00 H new ATOM 1128 N LYS A 93 0.400 8.566 -18.177 1.00 0.00 N ATOM 1129 CA LYS A 93 0.128 7.141 -18.462 1.00 0.00 C ATOM 1130 C LYS A 93 1.383 6.250 -18.428 1.00 0.00 C ATOM 1131 O LYS A 93 1.255 5.025 -18.426 1.00 0.00 O ATOM 1132 CB LYS A 93 -0.617 7.014 -19.805 1.00 0.00 C ATOM 1133 CG LYS A 93 -1.962 7.765 -19.868 1.00 0.00 C ATOM 1134 CD LYS A 93 -3.000 7.375 -18.801 1.00 0.00 C ATOM 1135 CE LYS A 93 -3.380 5.887 -18.871 1.00 0.00 C ATOM 1136 NZ LYS A 93 -4.448 5.546 -17.891 1.00 0.00 N ATOM 0 H LYS A 93 0.690 9.086 -19.005 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.505 6.770 -17.656 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.029 7.386 -20.600 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.796 5.958 -20.007 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -1.764 8.833 -19.781 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -2.402 7.601 -20.852 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -2.602 7.600 -17.811 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -3.896 7.983 -18.930 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -3.719 5.645 -19.878 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -2.498 5.276 -18.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.679 4.535 -17.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -4.115 5.754 -16.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -5.298 6.111 -18.093 1.00 0.00 H new ATOM 1150 N ASP A 94 2.578 6.841 -18.373 1.00 0.00 N ATOM 1151 CA ASP A 94 3.877 6.154 -18.340 1.00 0.00 C ATOM 1152 C ASP A 94 4.820 6.711 -17.239 1.00 0.00 C ATOM 1153 O ASP A 94 5.891 7.237 -17.554 1.00 0.00 O ATOM 1154 CB ASP A 94 4.491 6.209 -19.754 1.00 0.00 C ATOM 1155 CG ASP A 94 5.776 5.371 -19.889 1.00 0.00 C ATOM 1156 OD1 ASP A 94 5.814 4.220 -19.395 1.00 0.00 O ATOM 1157 OD2 ASP A 94 6.747 5.842 -20.530 1.00 0.00 O ATOM 0 H ASP A 94 2.674 7.856 -18.349 1.00 0.00 H new ATOM 0 HA ASP A 94 3.730 5.111 -18.061 1.00 0.00 H new ATOM 0 HB2 ASP A 94 3.756 5.855 -20.477 1.00 0.00 H new ATOM 0 HB3 ASP A 94 4.713 7.246 -20.007 1.00 0.00 H new ATOM 1162 N PRO A 95 4.458 6.608 -15.939 1.00 0.00 N ATOM 1163 CA PRO A 95 5.298 7.044 -14.811 1.00 0.00 C ATOM 1164 C PRO A 95 6.463 6.087 -14.487 1.00 0.00 C ATOM 1165 O PRO A 95 7.241 6.345 -13.567 1.00 0.00 O ATOM 1166 CB PRO A 95 4.329 7.166 -13.631 1.00 0.00 C ATOM 1167 CG PRO A 95 3.316 6.057 -13.914 1.00 0.00 C ATOM 1168 CD PRO A 95 3.185 6.105 -15.435 1.00 0.00 C ATOM 0 HA PRO A 95 5.799 7.982 -15.051 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.833 7.020 -12.676 1.00 0.00 H new ATOM 0 HB3 PRO A 95 3.856 8.147 -13.595 1.00 0.00 H new ATOM 0 HG2 PRO A 95 3.671 5.086 -13.568 1.00 0.00 H new ATOM 0 HG3 PRO A 95 2.363 6.243 -13.419 1.00 0.00 H new ATOM 0 HD2 PRO A 95 2.971 5.115 -15.838 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.364 6.756 -15.734 1.00 0.00 H new ATOM 1176 N SER A 96 6.609 4.986 -15.231 1.00 0.00 N ATOM 1177 CA SER A 96 7.616 3.927 -15.052 1.00 0.00 C ATOM 1178 C SER A 96 9.056 4.381 -14.739 1.00 0.00 C ATOM 1179 O SER A 96 9.663 3.744 -13.876 1.00 0.00 O ATOM 1180 CB SER A 96 7.625 3.023 -16.291 1.00 0.00 C ATOM 1181 OG SER A 96 6.330 2.469 -16.486 1.00 0.00 O ATOM 0 H SER A 96 5.993 4.796 -16.021 1.00 0.00 H new ATOM 0 HA SER A 96 7.299 3.401 -14.152 1.00 0.00 H new ATOM 0 HB2 SER A 96 7.923 3.596 -17.169 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.358 2.226 -16.167 1.00 0.00 H new ATOM 0 HG SER A 96 6.337 1.893 -17.279 1.00 0.00 H new ATOM 1187 N PRO A 97 9.638 5.457 -15.320 1.00 0.00 N ATOM 1188 CA PRO A 97 10.991 5.880 -14.939 1.00 0.00 C ATOM 1189 C PRO A 97 11.140 6.334 -13.475 1.00 0.00 C ATOM 1190 O PRO A 97 12.237 6.212 -12.933 1.00 0.00 O ATOM 1191 CB PRO A 97 11.384 6.985 -15.921 1.00 0.00 C ATOM 1192 CG PRO A 97 10.061 7.491 -16.486 1.00 0.00 C ATOM 1193 CD PRO A 97 9.182 6.245 -16.464 1.00 0.00 C ATOM 0 HA PRO A 97 11.660 5.021 -14.997 1.00 0.00 H new ATOM 0 HB2 PRO A 97 11.932 7.783 -15.420 1.00 0.00 H new ATOM 0 HB3 PRO A 97 12.031 6.602 -16.710 1.00 0.00 H new ATOM 0 HG2 PRO A 97 9.642 8.292 -15.877 1.00 0.00 H new ATOM 0 HG3 PRO A 97 10.177 7.886 -17.495 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.130 6.510 -16.362 1.00 0.00 H new ATOM 0 HD3 PRO A 97 9.280 5.681 -17.392 1.00 0.00 H new ATOM 1201 N LEU A 98 10.074 6.788 -12.796 1.00 0.00 N ATOM 1202 CA LEU A 98 10.120 7.043 -11.344 1.00 0.00 C ATOM 1203 C LEU A 98 10.305 5.719 -10.589 1.00 0.00 C ATOM 1204 O LEU A 98 11.182 5.578 -9.734 1.00 0.00 O ATOM 1205 CB LEU A 98 8.838 7.746 -10.842 1.00 0.00 C ATOM 1206 CG LEU A 98 8.715 9.249 -11.153 1.00 0.00 C ATOM 1207 CD1 LEU A 98 8.356 9.543 -12.611 1.00 0.00 C ATOM 1208 CD2 LEU A 98 7.618 9.855 -10.273 1.00 0.00 C ATOM 0 H LEU A 98 9.171 6.986 -13.227 1.00 0.00 H new ATOM 0 HA LEU A 98 10.964 7.705 -11.152 1.00 0.00 H new ATOM 0 HB2 LEU A 98 7.977 7.236 -11.274 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.777 7.615 -9.762 1.00 0.00 H new ATOM 0 HG LEU A 98 9.694 9.685 -10.955 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.286 10.621 -12.758 1.00 0.00 H new ATOM 0 HD12 LEU A 98 9.128 9.137 -13.265 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.398 9.081 -12.850 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.526 10.920 -10.488 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.670 9.359 -10.481 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.877 9.718 -9.223 1.00 0.00 H new ATOM 1220 N TYR A 99 9.513 4.711 -10.952 1.00 0.00 N ATOM 1221 CA TYR A 99 9.617 3.385 -10.355 1.00 0.00 C ATOM 1222 C TYR A 99 10.968 2.723 -10.660 1.00 0.00 C ATOM 1223 O TYR A 99 11.517 2.059 -9.789 1.00 0.00 O ATOM 1224 CB TYR A 99 8.446 2.510 -10.816 1.00 0.00 C ATOM 1225 CG TYR A 99 7.088 2.962 -10.312 1.00 0.00 C ATOM 1226 CD1 TYR A 99 6.630 2.523 -9.054 1.00 0.00 C ATOM 1227 CD2 TYR A 99 6.281 3.814 -11.093 1.00 0.00 C ATOM 1228 CE1 TYR A 99 5.368 2.928 -8.579 1.00 0.00 C ATOM 1229 CE2 TYR A 99 5.021 4.227 -10.619 1.00 0.00 C ATOM 1230 CZ TYR A 99 4.559 3.781 -9.359 1.00 0.00 C ATOM 1231 OH TYR A 99 3.337 4.164 -8.892 1.00 0.00 O ATOM 0 H TYR A 99 8.787 4.792 -11.664 1.00 0.00 H new ATOM 0 HA TYR A 99 9.564 3.495 -9.272 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.428 2.493 -11.906 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.621 1.487 -10.484 1.00 0.00 H new ATOM 0 HD1 TYR A 99 7.249 1.874 -8.452 1.00 0.00 H new ATOM 0 HD2 TYR A 99 6.630 4.151 -12.058 1.00 0.00 H new ATOM 0 HE1 TYR A 99 5.019 2.585 -7.616 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.408 4.884 -11.218 1.00 0.00 H new ATOM 0 HH TYR A 99 2.906 4.752 -9.547 1.00 0.00 H new ATOM 1241 N ASP A 100 11.573 2.971 -11.825 1.00 0.00 N ATOM 1242 CA ASP A 100 12.932 2.502 -12.137 1.00 0.00 C ATOM 1243 C ASP A 100 14.027 3.212 -11.319 1.00 0.00 C ATOM 1244 O ASP A 100 15.049 2.620 -10.966 1.00 0.00 O ATOM 1245 CB ASP A 100 13.212 2.649 -13.631 1.00 0.00 C ATOM 1246 CG ASP A 100 14.404 1.768 -14.056 1.00 0.00 C ATOM 1247 OD1 ASP A 100 14.423 0.559 -13.712 1.00 0.00 O ATOM 1248 OD2 ASP A 100 15.318 2.280 -14.745 1.00 0.00 O ATOM 0 H ASP A 100 11.138 3.502 -12.580 1.00 0.00 H new ATOM 0 HA ASP A 100 12.967 1.450 -11.855 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.326 2.369 -14.201 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.424 3.692 -13.865 1.00 0.00 H new ATOM 1253 N MET A 101 13.795 4.478 -10.973 1.00 0.00 N ATOM 1254 CA MET A 101 14.600 5.250 -10.025 1.00 0.00 C ATOM 1255 C MET A 101 14.470 4.686 -8.590 1.00 0.00 C ATOM 1256 O MET A 101 15.445 4.694 -7.841 1.00 0.00 O ATOM 1257 CB MET A 101 14.185 6.734 -10.179 1.00 0.00 C ATOM 1258 CG MET A 101 14.100 7.555 -8.893 1.00 0.00 C ATOM 1259 SD MET A 101 13.270 9.158 -9.100 1.00 0.00 S ATOM 1260 CE MET A 101 11.679 8.810 -8.290 1.00 0.00 C ATOM 0 H MET A 101 13.016 5.013 -11.357 1.00 0.00 H new ATOM 0 HA MET A 101 15.666 5.172 -10.238 1.00 0.00 H new ATOM 0 HB2 MET A 101 14.896 7.220 -10.847 1.00 0.00 H new ATOM 0 HB3 MET A 101 13.212 6.767 -10.670 1.00 0.00 H new ATOM 0 HG2 MET A 101 13.568 6.976 -8.138 1.00 0.00 H new ATOM 0 HG3 MET A 101 15.108 7.724 -8.514 1.00 0.00 H new ATOM 0 HE1 MET A 101 11.048 9.698 -8.331 1.00 0.00 H new ATOM 0 HE2 MET A 101 11.181 7.987 -8.804 1.00 0.00 H new ATOM 0 HE3 MET A 101 11.853 8.536 -7.249 1.00 0.00 H new ATOM 1270 N LEU A 102 13.292 4.168 -8.212 1.00 0.00 N ATOM 1271 CA LEU A 102 12.961 3.706 -6.854 1.00 0.00 C ATOM 1272 C LEU A 102 13.251 2.219 -6.599 1.00 0.00 C ATOM 1273 O LEU A 102 13.709 1.895 -5.507 1.00 0.00 O ATOM 1274 CB LEU A 102 11.486 4.048 -6.567 1.00 0.00 C ATOM 1275 CG LEU A 102 11.235 5.562 -6.447 1.00 0.00 C ATOM 1276 CD1 LEU A 102 9.755 5.863 -6.651 1.00 0.00 C ATOM 1277 CD2 LEU A 102 11.666 6.097 -5.081 1.00 0.00 C ATOM 0 H LEU A 102 12.517 4.055 -8.865 1.00 0.00 H new ATOM 0 HA LEU A 102 13.620 4.230 -6.162 1.00 0.00 H new ATOM 0 HB2 LEU A 102 10.863 3.643 -7.364 1.00 0.00 H new ATOM 0 HB3 LEU A 102 11.178 3.559 -5.643 1.00 0.00 H new ATOM 0 HG LEU A 102 11.829 6.055 -7.217 1.00 0.00 H new ATOM 0 HD11 LEU A 102 9.587 6.936 -6.564 1.00 0.00 H new ATOM 0 HD12 LEU A 102 9.448 5.526 -7.641 1.00 0.00 H new ATOM 0 HD13 LEU A 102 9.170 5.342 -5.893 1.00 0.00 H new ATOM 0 HD21 LEU A 102 11.474 7.169 -5.033 1.00 0.00 H new ATOM 0 HD22 LEU A 102 11.101 5.592 -4.298 1.00 0.00 H new ATOM 0 HD23 LEU A 102 12.731 5.912 -4.937 1.00 0.00 H new ATOM 1289 N ARG A 103 13.079 1.327 -7.587 1.00 0.00 N ATOM 1290 CA ARG A 103 13.384 -0.127 -7.503 1.00 0.00 C ATOM 1291 C ARG A 103 14.838 -0.430 -7.134 1.00 0.00 C ATOM 1292 O ARG A 103 15.142 -1.446 -6.512 1.00 0.00 O ATOM 1293 CB ARG A 103 12.960 -0.838 -8.807 1.00 0.00 C ATOM 1294 CG ARG A 103 13.660 -0.394 -10.104 1.00 0.00 C ATOM 1295 CD ARG A 103 14.993 -1.066 -10.469 1.00 0.00 C ATOM 1296 NE ARG A 103 14.811 -2.477 -10.860 1.00 0.00 N ATOM 1297 CZ ARG A 103 14.545 -2.949 -12.069 1.00 0.00 C ATOM 1298 NH1 ARG A 103 14.381 -2.188 -13.116 1.00 0.00 N ATOM 1299 NH2 ARG A 103 14.435 -4.234 -12.252 1.00 0.00 N ATOM 0 H ARG A 103 12.712 1.597 -8.500 1.00 0.00 H new ATOM 0 HA ARG A 103 12.795 -0.526 -6.677 1.00 0.00 H new ATOM 0 HB2 ARG A 103 13.129 -1.907 -8.680 1.00 0.00 H new ATOM 0 HB3 ARG A 103 11.887 -0.698 -8.936 1.00 0.00 H new ATOM 0 HG2 ARG A 103 12.967 -0.555 -10.930 1.00 0.00 H new ATOM 0 HG3 ARG A 103 13.834 0.680 -10.039 1.00 0.00 H new ATOM 0 HD2 ARG A 103 15.462 -0.520 -11.288 1.00 0.00 H new ATOM 0 HD3 ARG A 103 15.672 -1.010 -9.618 1.00 0.00 H new ATOM 0 HE ARG A 103 14.900 -3.168 -10.115 1.00 0.00 H new ATOM 0 HH11 ARG A 103 14.456 -1.175 -13.027 1.00 0.00 H new ATOM 0 HH12 ARG A 103 14.178 -2.606 -14.024 1.00 0.00 H new ATOM 0 HH21 ARG A 103 14.554 -4.873 -11.466 1.00 0.00 H new ATOM 0 HH22 ARG A 103 14.230 -4.601 -13.181 1.00 0.00 H new ATOM 1313 N LYS A 104 15.723 0.501 -7.502 1.00 0.00 N ATOM 1314 CA LYS A 104 17.149 0.550 -7.144 1.00 0.00 C ATOM 1315 C LYS A 104 17.380 0.743 -5.634 1.00 0.00 C ATOM 1316 O LYS A 104 18.396 0.281 -5.113 1.00 0.00 O ATOM 1317 CB LYS A 104 17.781 1.672 -7.988 1.00 0.00 C ATOM 1318 CG LYS A 104 19.296 1.833 -7.787 1.00 0.00 C ATOM 1319 CD LYS A 104 19.942 2.749 -8.839 1.00 0.00 C ATOM 1320 CE LYS A 104 19.305 4.148 -8.894 1.00 0.00 C ATOM 1321 NZ LYS A 104 20.054 5.049 -9.815 1.00 0.00 N ATOM 0 H LYS A 104 15.451 1.287 -8.092 1.00 0.00 H new ATOM 0 HA LYS A 104 17.625 -0.406 -7.364 1.00 0.00 H new ATOM 0 HB2 LYS A 104 17.584 1.474 -9.042 1.00 0.00 H new ATOM 0 HB3 LYS A 104 17.291 2.615 -7.744 1.00 0.00 H new ATOM 0 HG2 LYS A 104 19.485 2.239 -6.793 1.00 0.00 H new ATOM 0 HG3 LYS A 104 19.769 0.852 -7.826 1.00 0.00 H new ATOM 0 HD2 LYS A 104 21.005 2.849 -8.621 1.00 0.00 H new ATOM 0 HD3 LYS A 104 19.860 2.280 -9.820 1.00 0.00 H new ATOM 0 HE2 LYS A 104 18.270 4.066 -9.225 1.00 0.00 H new ATOM 0 HE3 LYS A 104 19.286 4.581 -7.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 19.600 5.985 -9.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 21.035 5.146 -9.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 20.050 4.646 -10.774 1.00 0.00 H new ATOM 1335 N ASN A 105 16.444 1.392 -4.930 1.00 0.00 N ATOM 1336 CA ASN A 105 16.553 1.699 -3.494 1.00 0.00 C ATOM 1337 C ASN A 105 15.622 0.865 -2.585 1.00 0.00 C ATOM 1338 O ASN A 105 16.096 0.307 -1.594 1.00 0.00 O ATOM 1339 CB ASN A 105 16.358 3.206 -3.313 1.00 0.00 C ATOM 1340 CG ASN A 105 17.536 4.002 -3.859 1.00 0.00 C ATOM 1341 OD1 ASN A 105 17.534 4.477 -4.984 1.00 0.00 O ATOM 1342 ND2 ASN A 105 18.592 4.156 -3.089 1.00 0.00 N ATOM 0 H ASN A 105 15.575 1.725 -5.347 1.00 0.00 H new ATOM 0 HA ASN A 105 17.549 1.406 -3.161 1.00 0.00 H new ATOM 0 HB2 ASN A 105 15.444 3.517 -3.819 1.00 0.00 H new ATOM 0 HB3 ASN A 105 16.228 3.430 -2.254 1.00 0.00 H new ATOM 0 HD21 ASN A 105 19.403 4.670 -3.433 1.00 0.00 H new ATOM 0 HD22 ASN A 105 18.599 3.761 -2.148 1.00 0.00 H new ATOM 1349 N LEU A 106 14.327 0.752 -2.913 1.00 0.00 N ATOM 1350 CA LEU A 106 13.350 -0.117 -2.238 1.00 0.00 C ATOM 1351 C LEU A 106 12.699 -1.108 -3.219 1.00 0.00 C ATOM 1352 O LEU A 106 12.428 -0.762 -4.367 1.00 0.00 O ATOM 1353 CB LEU A 106 12.308 0.718 -1.458 1.00 0.00 C ATOM 1354 CG LEU A 106 11.393 1.653 -2.285 1.00 0.00 C ATOM 1355 CD1 LEU A 106 10.078 1.885 -1.541 1.00 0.00 C ATOM 1356 CD2 LEU A 106 12.016 3.028 -2.542 1.00 0.00 C ATOM 0 H LEU A 106 13.916 1.281 -3.682 1.00 0.00 H new ATOM 0 HA LEU A 106 13.886 -0.720 -1.505 1.00 0.00 H new ATOM 0 HB2 LEU A 106 11.673 0.030 -0.899 1.00 0.00 H new ATOM 0 HB3 LEU A 106 12.840 1.326 -0.726 1.00 0.00 H new ATOM 0 HG LEU A 106 11.239 1.154 -3.241 1.00 0.00 H new ATOM 0 HD11 LEU A 106 9.439 2.544 -2.129 1.00 0.00 H new ATOM 0 HD12 LEU A 106 9.573 0.931 -1.388 1.00 0.00 H new ATOM 0 HD13 LEU A 106 10.283 2.346 -0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.326 3.637 -3.126 1.00 0.00 H new ATOM 0 HD22 LEU A 106 12.217 3.520 -1.590 1.00 0.00 H new ATOM 0 HD23 LEU A 106 12.949 2.908 -3.093 1.00 0.00 H new ATOM 1368 N VAL A 107 12.395 -2.332 -2.774 1.00 0.00 N ATOM 1369 CA VAL A 107 11.856 -3.413 -3.632 1.00 0.00 C ATOM 1370 C VAL A 107 10.336 -3.251 -3.821 1.00 0.00 C ATOM 1371 O VAL A 107 9.526 -4.027 -3.314 1.00 0.00 O ATOM 1372 CB VAL A 107 12.282 -4.817 -3.133 1.00 0.00 C ATOM 1373 CG1 VAL A 107 11.972 -5.899 -4.180 1.00 0.00 C ATOM 1374 CG2 VAL A 107 13.794 -4.891 -2.866 1.00 0.00 C ATOM 0 H VAL A 107 12.514 -2.611 -1.800 1.00 0.00 H new ATOM 0 HA VAL A 107 12.300 -3.322 -4.624 1.00 0.00 H new ATOM 0 HB VAL A 107 11.720 -4.987 -2.214 1.00 0.00 H new ATOM 0 HG11 VAL A 107 12.282 -6.872 -3.800 1.00 0.00 H new ATOM 0 HG12 VAL A 107 10.901 -5.913 -4.382 1.00 0.00 H new ATOM 0 HG13 VAL A 107 12.512 -5.680 -5.101 1.00 0.00 H new ATOM 0 HG21 VAL A 107 14.053 -5.891 -2.518 1.00 0.00 H new ATOM 0 HG22 VAL A 107 14.337 -4.675 -3.786 1.00 0.00 H new ATOM 0 HG23 VAL A 107 14.065 -4.160 -2.105 1.00 0.00 H new ATOM 1384 N THR A 108 9.953 -2.188 -4.539 1.00 0.00 N ATOM 1385 CA THR A 108 8.547 -1.759 -4.777 1.00 0.00 C ATOM 1386 C THR A 108 7.971 -2.104 -6.142 1.00 0.00 C ATOM 1387 O THR A 108 6.776 -1.992 -6.425 1.00 0.00 O ATOM 1388 CB THR A 108 8.443 -0.258 -4.489 1.00 0.00 C ATOM 1389 OG1 THR A 108 7.278 0.014 -3.738 1.00 0.00 O ATOM 1390 CG2 THR A 108 8.499 0.685 -5.700 1.00 0.00 C ATOM 0 H THR A 108 10.629 -1.573 -4.992 1.00 0.00 H new ATOM 0 HA THR A 108 7.927 -2.338 -4.093 1.00 0.00 H new ATOM 0 HB THR A 108 9.352 -0.039 -3.928 1.00 0.00 H new ATOM 0 HG1 THR A 108 7.222 0.976 -3.558 1.00 0.00 H new ATOM 0 HG21 THR A 108 8.415 1.718 -5.361 1.00 0.00 H new ATOM 0 HG22 THR A 108 9.446 0.550 -6.223 1.00 0.00 H new ATOM 0 HG23 THR A 108 7.676 0.457 -6.377 1.00 0.00 H new ATOM 1398 N LEU A 109 8.904 -2.553 -6.959 1.00 0.00 N ATOM 1399 CA LEU A 109 8.819 -2.847 -8.388 1.00 0.00 C ATOM 1400 C LEU A 109 8.046 -1.725 -9.115 1.00 0.00 C ATOM 1401 O LEU A 109 8.338 -0.550 -8.886 1.00 0.00 O ATOM 1402 CB LEU A 109 8.263 -4.276 -8.510 1.00 0.00 C ATOM 1403 CG LEU A 109 9.232 -5.396 -8.080 1.00 0.00 C ATOM 1404 CD1 LEU A 109 8.506 -6.741 -8.122 1.00 0.00 C ATOM 1405 CD2 LEU A 109 10.463 -5.497 -8.985 1.00 0.00 C ATOM 0 H LEU A 109 9.842 -2.743 -6.606 1.00 0.00 H new ATOM 0 HA LEU A 109 9.781 -2.845 -8.900 1.00 0.00 H new ATOM 0 HB2 LEU A 109 7.358 -4.349 -7.907 1.00 0.00 H new ATOM 0 HB3 LEU A 109 7.971 -4.448 -9.546 1.00 0.00 H new ATOM 0 HG LEU A 109 9.568 -5.150 -7.073 1.00 0.00 H new ATOM 0 HD11 LEU A 109 9.190 -7.533 -7.818 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.655 -6.716 -7.442 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.155 -6.934 -9.136 1.00 0.00 H new ATOM 0 HD21 LEU A 109 11.108 -6.302 -8.633 1.00 0.00 H new ATOM 0 HD22 LEU A 109 10.147 -5.705 -10.007 1.00 0.00 H new ATOM 0 HD23 LEU A 109 11.011 -4.555 -8.960 1.00 0.00 H new ATOM 1417 N ALA A 110 7.090 -2.057 -9.984 1.00 0.00 N ATOM 1418 CA ALA A 110 6.182 -1.092 -10.610 1.00 0.00 C ATOM 1419 C ALA A 110 4.771 -1.655 -10.850 1.00 0.00 C ATOM 1420 O ALA A 110 4.522 -2.854 -10.685 1.00 0.00 O ATOM 1421 CB ALA A 110 6.797 -0.604 -11.920 1.00 0.00 C ATOM 0 H ALA A 110 6.921 -3.019 -10.278 1.00 0.00 H new ATOM 0 HA ALA A 110 6.058 -0.260 -9.917 1.00 0.00 H new ATOM 0 HB1 ALA A 110 6.126 0.115 -12.391 1.00 0.00 H new ATOM 0 HB2 ALA A 110 7.755 -0.126 -11.716 1.00 0.00 H new ATOM 0 HB3 ALA A 110 6.949 -1.451 -12.589 1.00 0.00 H new ATOM 1427 N THR A 111 3.841 -0.772 -11.232 1.00 0.00 N ATOM 1428 CA THR A 111 2.405 -1.081 -11.345 1.00 0.00 C ATOM 1429 C THR A 111 1.662 -0.187 -12.344 1.00 0.00 C ATOM 1430 O THR A 111 2.117 0.915 -12.687 1.00 0.00 O ATOM 1431 CB THR A 111 1.785 -1.008 -9.943 1.00 0.00 C ATOM 1432 OG1 THR A 111 0.516 -1.635 -9.914 1.00 0.00 O ATOM 1433 CG2 THR A 111 1.659 0.400 -9.350 1.00 0.00 C ATOM 0 H THR A 111 4.065 0.193 -11.476 1.00 0.00 H new ATOM 0 HA THR A 111 2.302 -2.088 -11.750 1.00 0.00 H new ATOM 0 HB THR A 111 2.499 -1.540 -9.314 1.00 0.00 H new ATOM 0 HG1 THR A 111 0.143 -1.577 -9.010 1.00 0.00 H new ATOM 0 HG21 THR A 111 1.209 0.338 -8.359 1.00 0.00 H new ATOM 0 HG22 THR A 111 2.648 0.852 -9.273 1.00 0.00 H new ATOM 0 HG23 THR A 111 1.030 1.012 -9.996 1.00 0.00 H new TER 1441 THR A 111 HETATM 1442 N 49H A 200 -1.491 13.899 -11.873 1.00 0.00 N HETATM 1443 CG1 49H A 200 1.772 13.988 -11.074 1.00 0.00 C HETATM 1444 CG2 49H A 200 -0.404 12.012 -10.639 1.00 0.00 C HETATM 1445 CG3 49H A 200 -1.350 15.466 -13.698 1.00 0.00 C HETATM 1446 CD1 49H A 200 2.231 14.166 -12.386 1.00 0.00 C HETATM 1447 CD2 49H A 200 2.565 13.276 -10.170 1.00 0.00 C HETATM 1448 CD3 49H A 200 0.199 11.410 -11.748 1.00 0.00 C HETATM 1449 CD4 49H A 200 -0.752 11.217 -9.543 1.00 0.00 C HETATM 1450 CD5 49H A 200 -2.428 14.850 -14.353 1.00 0.00 C HETATM 1451 CD6 49H A 200 -0.612 16.430 -14.409 1.00 0.00 C HETATM 1452 CE1 49H A 200 3.454 13.631 -12.786 1.00 0.00 C HETATM 1453 CE2 49H A 200 3.782 12.731 -10.575 1.00 0.00 C HETATM 1454 CE3 49H A 200 0.452 10.042 -11.759 1.00 0.00 C HETATM 1455 CE4 49H A 200 -0.526 9.841 -9.566 1.00 0.00 C HETATM 1456 CE5 49H A 200 -2.790 15.200 -15.649 1.00 0.00 C HETATM 1457 CE6 49H A 200 -0.997 16.790 -15.705 1.00 0.00 C HETATM 1458 CZ1 49H A 200 4.226 12.911 -11.880 1.00 0.00 C HETATM 1459 CZ2 49H A 200 0.073 9.251 -10.678 1.00 0.00 C HETATM 1460 CZ3 49H A 200 -2.077 16.182 -16.328 1.00 0.00 C HETATM 1461 CL1 49H A 200 5.732 12.228 -12.380 1.00 0.00 CL HETATM 1462 CL2 49H A 200 1.235 9.325 -13.121 1.00 0.00 CL HETATM 1463 CM1 49H A 200 -3.559 16.088 -18.323 1.00 0.00 C HETATM 1464 CM2 49H A 200 2.307 16.684 -15.528 1.00 0.00 C HETATM 1465 CM3 49H A 200 2.570 18.196 -13.521 1.00 0.00 C HETATM 1466 C1 49H A 200 -1.488 20.392 -11.008 1.00 0.00 C HETATM 1467 N1 49H A 200 -2.776 20.033 -11.035 1.00 0.00 N HETATM 1468 O1 49H A 200 -1.212 21.572 -11.107 1.00 0.00 O HETATM 1469 C2 49H A 200 -3.221 18.648 -10.896 1.00 0.00 C HETATM 1470 N2 49H A 200 -0.813 17.874 -11.165 1.00 0.00 N HETATM 1471 C3 49H A 200 -2.234 17.652 -11.534 1.00 0.00 C HETATM 1472 N3 49H A 200 -0.102 15.629 -11.428 1.00 0.00 N HETATM 1473 O3 49H A 200 -2.390 16.569 -17.616 1.00 0.00 O HETATM 1474 C4 49H A 200 -0.437 19.293 -10.866 1.00 0.00 C HETATM 1475 C5 49H A 200 0.133 16.897 -11.017 1.00 0.00 C HETATM 1476 O5 49H A 200 1.180 17.164 -10.454 1.00 0.00 O HETATM 1477 C6 49H A 200 -1.055 15.024 -12.294 1.00 0.00 C HETATM 1478 O6 49H A 200 0.531 16.976 -13.852 1.00 0.00 O HETATM 1479 C7 49H A 200 -0.758 13.499 -10.648 1.00 0.00 C HETATM 1480 C8 49H A 200 0.415 14.524 -10.604 1.00 0.00 C HETATM 1481 C9 49H A 200 1.586 17.659 -14.573 1.00 0.00 C