USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 605 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 132 THR OG1 : rot 33:sc= 0.0532 USER MOD Set 1.2: A 158 ASN : amide:sc= 0 X(o=0.053,f=0.049) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= 0.325 K(o=0.32,f=-5.4!) USER MOD Single : A 96 ASN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0.0511 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.00905 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= -3.2 K(o=-3.2,f=-6.6!) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.00135 USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 115 LYS NZ :NH3+ 167:sc= 0.193 (180deg=-0.511!) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 117 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : A 119 SER OG : rot -134:sc= 0.566 USER MOD Single : A 125 GLN : amide:sc=-0.00544 K(o=-0.0054,f=-0.84) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 GLN :FLIP amide:sc= 0 F(o=-0.81,f=0) USER MOD Single : A 147 TYR OH : rot 15:sc= -0.338 USER MOD Single : A 150 LYS NZ :NH3+ 166:sc= -0.0574 (180deg=-0.303) USER MOD Single : A 153 SER OG : rot -150:sc= 0.0582 USER MOD Single : A 154 THR OG1 : rot 180:sc= 0 USER MOD Single : A 157 MET CE :methyl -166:sc= -0.069 (180deg=-0.529) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 86 17.024 -11.155 -0.140 1.00 0.00 N ATOM 2 CA ASP A 86 16.713 -9.817 -0.626 1.00 0.00 C ATOM 3 C ASP A 86 15.783 -9.913 -1.835 1.00 0.00 C ATOM 4 O ASP A 86 14.987 -10.850 -1.926 1.00 0.00 O ATOM 5 CB ASP A 86 18.009 -9.070 -0.980 1.00 0.00 C ATOM 6 CG ASP A 86 18.822 -9.770 -2.050 1.00 0.00 C ATOM 7 OD1 ASP A 86 19.375 -10.856 -1.766 1.00 0.00 O ATOM 8 OD2 ASP A 86 18.917 -9.240 -3.176 1.00 0.00 O ATOM 0 HA ASP A 86 16.204 -9.254 0.156 1.00 0.00 H new ATOM 0 HB2 ASP A 86 17.761 -8.064 -1.319 1.00 0.00 H new ATOM 0 HB3 ASP A 86 18.617 -8.962 -0.082 1.00 0.00 H new ATOM 13 N GLU A 87 15.888 -8.953 -2.754 1.00 0.00 N ATOM 14 CA GLU A 87 15.013 -8.884 -3.923 1.00 0.00 C ATOM 15 C GLU A 87 13.573 -8.618 -3.491 1.00 0.00 C ATOM 16 O GLU A 87 12.765 -9.542 -3.362 1.00 0.00 O ATOM 17 CB GLU A 87 15.099 -10.170 -4.756 1.00 0.00 C ATOM 18 CG GLU A 87 16.495 -10.466 -5.271 1.00 0.00 C ATOM 19 CD GLU A 87 16.612 -11.850 -5.868 1.00 0.00 C ATOM 20 OE1 GLU A 87 16.258 -12.030 -7.054 1.00 0.00 O ATOM 21 OE2 GLU A 87 17.059 -12.770 -5.155 1.00 0.00 O ATOM 0 H GLU A 87 16.579 -8.204 -2.709 1.00 0.00 H new ATOM 0 HA GLU A 87 15.348 -8.058 -4.550 1.00 0.00 H new ATOM 0 HB2 GLU A 87 14.759 -11.009 -4.150 1.00 0.00 H new ATOM 0 HB3 GLU A 87 14.417 -10.091 -5.603 1.00 0.00 H new ATOM 0 HG2 GLU A 87 16.765 -9.725 -6.024 1.00 0.00 H new ATOM 0 HG3 GLU A 87 17.209 -10.365 -4.454 1.00 0.00 H new ATOM 28 N PRO A 88 13.249 -7.348 -3.217 1.00 0.00 N ATOM 29 CA PRO A 88 11.931 -6.948 -2.759 1.00 0.00 C ATOM 30 C PRO A 88 10.953 -6.738 -3.909 1.00 0.00 C ATOM 31 O PRO A 88 11.352 -6.511 -5.051 1.00 0.00 O ATOM 32 CB PRO A 88 12.187 -5.618 -2.026 1.00 0.00 C ATOM 33 CG PRO A 88 13.649 -5.321 -2.192 1.00 0.00 C ATOM 34 CD PRO A 88 14.140 -6.193 -3.313 1.00 0.00 C ATOM 0 HA PRO A 88 11.474 -7.714 -2.132 1.00 0.00 H new ATOM 0 HB2 PRO A 88 11.577 -4.818 -2.447 1.00 0.00 H new ATOM 0 HB3 PRO A 88 11.924 -5.698 -0.971 1.00 0.00 H new ATOM 0 HG2 PRO A 88 13.806 -4.268 -2.423 1.00 0.00 H new ATOM 0 HG3 PRO A 88 14.194 -5.530 -1.271 1.00 0.00 H new ATOM 0 HD2 PRO A 88 14.061 -5.696 -4.280 1.00 0.00 H new ATOM 0 HD3 PRO A 88 15.185 -6.473 -3.183 1.00 0.00 H new ATOM 42 N LEU A 89 9.675 -6.815 -3.596 1.00 0.00 N ATOM 43 CA LEU A 89 8.630 -6.562 -4.565 1.00 0.00 C ATOM 44 C LEU A 89 8.250 -5.091 -4.520 1.00 0.00 C ATOM 45 O LEU A 89 7.547 -4.645 -3.614 1.00 0.00 O ATOM 46 CB LEU A 89 7.411 -7.441 -4.274 1.00 0.00 C ATOM 47 CG LEU A 89 6.186 -7.195 -5.156 1.00 0.00 C ATOM 48 CD1 LEU A 89 6.496 -7.481 -6.616 1.00 0.00 C ATOM 49 CD2 LEU A 89 5.023 -8.048 -4.671 1.00 0.00 C ATOM 0 H LEU A 89 9.333 -7.054 -2.665 1.00 0.00 H new ATOM 0 HA LEU A 89 8.994 -6.807 -5.563 1.00 0.00 H new ATOM 0 HB2 LEU A 89 7.706 -8.485 -4.378 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.121 -7.294 -3.234 1.00 0.00 H new ATOM 0 HG LEU A 89 5.908 -6.144 -5.081 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.607 -7.298 -7.219 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.303 -6.829 -6.951 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.801 -8.522 -6.726 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.153 -7.869 -5.302 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.298 -9.101 -4.722 1.00 0.00 H new ATOM 0 HD23 LEU A 89 4.784 -7.785 -3.641 1.00 0.00 H new ATOM 61 N SER A 90 8.761 -4.335 -5.468 1.00 0.00 N ATOM 62 CA SER A 90 8.500 -2.919 -5.529 1.00 0.00 C ATOM 63 C SER A 90 7.179 -2.649 -6.235 1.00 0.00 C ATOM 64 O SER A 90 7.041 -2.903 -7.431 1.00 0.00 O ATOM 65 CB SER A 90 9.648 -2.234 -6.255 1.00 0.00 C ATOM 66 OG SER A 90 10.883 -2.489 -5.602 1.00 0.00 O ATOM 0 H SER A 90 9.365 -4.685 -6.212 1.00 0.00 H new ATOM 0 HA SER A 90 8.424 -2.520 -4.518 1.00 0.00 H new ATOM 0 HB2 SER A 90 9.696 -2.589 -7.285 1.00 0.00 H new ATOM 0 HB3 SER A 90 9.469 -1.160 -6.296 1.00 0.00 H new ATOM 0 HG SER A 90 11.608 -2.041 -6.086 1.00 0.00 H new ATOM 72 N ILE A 91 6.202 -2.166 -5.484 1.00 0.00 N ATOM 73 CA ILE A 91 4.907 -1.820 -6.047 1.00 0.00 C ATOM 74 C ILE A 91 4.803 -0.312 -6.224 1.00 0.00 C ATOM 75 O ILE A 91 5.433 0.452 -5.491 1.00 0.00 O ATOM 76 CB ILE A 91 3.737 -2.325 -5.172 1.00 0.00 C ATOM 77 CG1 ILE A 91 3.817 -1.734 -3.758 1.00 0.00 C ATOM 78 CG2 ILE A 91 3.738 -3.845 -5.119 1.00 0.00 C ATOM 79 CD1 ILE A 91 2.645 -2.104 -2.874 1.00 0.00 C ATOM 0 H ILE A 91 6.282 -2.004 -4.480 1.00 0.00 H new ATOM 0 HA ILE A 91 4.831 -2.313 -7.016 1.00 0.00 H new ATOM 0 HB ILE A 91 2.802 -1.993 -5.623 1.00 0.00 H new ATOM 0 HG12 ILE A 91 4.738 -2.073 -3.284 1.00 0.00 H new ATOM 0 HG13 ILE A 91 3.876 -0.648 -3.831 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.909 -4.188 -4.500 1.00 0.00 H new ATOM 0 HG22 ILE A 91 3.627 -4.244 -6.127 1.00 0.00 H new ATOM 0 HG23 ILE A 91 4.678 -4.194 -4.692 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.773 -1.650 -1.891 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.721 -1.741 -3.324 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.596 -3.188 -2.769 1.00 0.00 H new ATOM 91 N LEU A 92 4.015 0.120 -7.190 1.00 0.00 N ATOM 92 CA LEU A 92 3.943 1.531 -7.514 1.00 0.00 C ATOM 93 C LEU A 92 2.695 2.163 -6.912 1.00 0.00 C ATOM 94 O LEU A 92 1.581 1.953 -7.392 1.00 0.00 O ATOM 95 CB LEU A 92 3.967 1.726 -9.030 1.00 0.00 C ATOM 96 CG LEU A 92 4.283 3.149 -9.493 1.00 0.00 C ATOM 97 CD1 LEU A 92 5.661 3.568 -9.005 1.00 0.00 C ATOM 98 CD2 LEU A 92 4.204 3.239 -11.008 1.00 0.00 C ATOM 0 H LEU A 92 3.420 -0.481 -7.760 1.00 0.00 H new ATOM 0 HA LEU A 92 4.813 2.028 -7.084 1.00 0.00 H new ATOM 0 HB2 LEU A 92 4.706 1.048 -9.457 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.997 1.435 -9.434 1.00 0.00 H new ATOM 0 HG LEU A 92 3.544 3.828 -9.067 1.00 0.00 H new ATOM 0 HD11 LEU A 92 5.873 4.583 -9.342 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.687 3.534 -7.916 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.412 2.888 -9.407 1.00 0.00 H new ATOM 0 HD21 LEU A 92 4.431 4.257 -11.324 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.925 2.552 -11.451 1.00 0.00 H new ATOM 0 HD23 LEU A 92 3.199 2.973 -11.336 1.00 0.00 H new ATOM 110 N VAL A 93 2.887 2.927 -5.851 1.00 0.00 N ATOM 111 CA VAL A 93 1.781 3.598 -5.189 1.00 0.00 C ATOM 112 C VAL A 93 1.789 5.082 -5.533 1.00 0.00 C ATOM 113 O VAL A 93 2.803 5.761 -5.384 1.00 0.00 O ATOM 114 CB VAL A 93 1.841 3.420 -3.656 1.00 0.00 C ATOM 115 CG1 VAL A 93 0.665 4.111 -2.978 1.00 0.00 C ATOM 116 CG2 VAL A 93 1.879 1.943 -3.288 1.00 0.00 C ATOM 0 H VAL A 93 3.799 3.099 -5.429 1.00 0.00 H new ATOM 0 HA VAL A 93 0.857 3.142 -5.546 1.00 0.00 H new ATOM 0 HB VAL A 93 2.758 3.888 -3.299 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.733 3.970 -1.899 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.688 5.177 -3.206 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.268 3.682 -3.342 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.921 1.839 -2.204 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.983 1.451 -3.665 1.00 0.00 H new ATOM 0 HG23 VAL A 93 2.761 1.480 -3.731 1.00 0.00 H new ATOM 126 N ARG A 94 0.663 5.580 -6.014 1.00 0.00 N ATOM 127 CA ARG A 94 0.558 6.979 -6.389 1.00 0.00 C ATOM 128 C ARG A 94 -0.331 7.728 -5.416 1.00 0.00 C ATOM 129 O ARG A 94 -1.452 7.303 -5.134 1.00 0.00 O ATOM 130 CB ARG A 94 0.011 7.119 -7.807 1.00 0.00 C ATOM 131 CG ARG A 94 0.907 6.498 -8.857 1.00 0.00 C ATOM 132 CD ARG A 94 0.321 6.635 -10.251 1.00 0.00 C ATOM 133 NE ARG A 94 0.237 8.033 -10.677 1.00 0.00 N ATOM 134 CZ ARG A 94 0.617 8.473 -11.878 1.00 0.00 C ATOM 135 NH1 ARG A 94 1.101 7.625 -12.780 1.00 0.00 N ATOM 136 NH2 ARG A 94 0.505 9.763 -12.174 1.00 0.00 N ATOM 0 H ARG A 94 -0.190 5.038 -6.154 1.00 0.00 H new ATOM 0 HA ARG A 94 1.558 7.412 -6.356 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -0.973 6.653 -7.857 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -0.125 8.176 -8.034 1.00 0.00 H new ATOM 0 HG2 ARG A 94 1.887 6.974 -8.826 1.00 0.00 H new ATOM 0 HG3 ARG A 94 1.058 5.443 -8.628 1.00 0.00 H new ATOM 0 HD2 ARG A 94 0.935 6.077 -10.958 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -0.674 6.190 -10.271 1.00 0.00 H new ATOM 0 HE ARG A 94 -0.135 8.713 -10.014 1.00 0.00 H new ATOM 0 HH11 ARG A 94 1.183 6.633 -12.555 1.00 0.00 H new ATOM 0 HH12 ARG A 94 1.390 7.966 -13.697 1.00 0.00 H new ATOM 0 HH21 ARG A 94 0.129 10.414 -11.484 1.00 0.00 H new ATOM 0 HH22 ARG A 94 0.795 10.103 -13.091 1.00 0.00 H new ATOM 150 N ASN A 95 0.175 8.836 -4.903 1.00 0.00 N ATOM 151 CA ASN A 95 -0.604 9.676 -4.000 1.00 0.00 C ATOM 152 C ASN A 95 -1.679 10.424 -4.777 1.00 0.00 C ATOM 153 O ASN A 95 -1.392 11.364 -5.520 1.00 0.00 O ATOM 154 CB ASN A 95 0.286 10.649 -3.206 1.00 0.00 C ATOM 155 CG ASN A 95 1.384 11.311 -4.028 1.00 0.00 C ATOM 156 OD1 ASN A 95 1.261 11.498 -5.237 1.00 0.00 O ATOM 157 ND2 ASN A 95 2.472 11.669 -3.364 1.00 0.00 N ATOM 0 H ASN A 95 1.117 9.177 -5.093 1.00 0.00 H new ATOM 0 HA ASN A 95 -1.087 9.025 -3.271 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -0.343 11.425 -2.771 1.00 0.00 H new ATOM 0 HB3 ASN A 95 0.745 10.109 -2.378 1.00 0.00 H new ATOM 0 HD21 ASN A 95 3.245 12.117 -3.856 1.00 0.00 H new ATOM 0 HD22 ASN A 95 2.537 11.497 -2.361 1.00 0.00 H new ATOM 164 N ASN A 96 -2.921 9.969 -4.609 1.00 0.00 N ATOM 165 CA ASN A 96 -4.071 10.479 -5.355 1.00 0.00 C ATOM 166 C ASN A 96 -3.920 10.169 -6.844 1.00 0.00 C ATOM 167 O ASN A 96 -4.539 9.237 -7.357 1.00 0.00 O ATOM 168 CB ASN A 96 -4.256 11.986 -5.127 1.00 0.00 C ATOM 169 CG ASN A 96 -5.485 12.562 -5.815 1.00 0.00 C ATOM 170 OD1 ASN A 96 -6.547 11.777 -5.927 1.00 0.00 O flip ATOM 171 ND2 ASN A 96 -5.479 13.716 -6.238 1.00 0.00 N flip ATOM 0 H ASN A 96 -3.159 9.231 -3.946 1.00 0.00 H new ATOM 0 HA ASN A 96 -4.965 9.976 -4.986 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -4.327 12.176 -4.056 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -3.370 12.510 -5.486 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -4.644 14.293 -6.135 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -6.309 14.097 -6.692 1.00 0.00 H new ATOM 178 N LYS A 97 -3.083 10.941 -7.522 1.00 0.00 N ATOM 179 CA LYS A 97 -2.821 10.737 -8.940 1.00 0.00 C ATOM 180 C LYS A 97 -1.490 11.373 -9.352 1.00 0.00 C ATOM 181 O LYS A 97 -1.126 11.353 -10.528 1.00 0.00 O ATOM 182 CB LYS A 97 -3.954 11.358 -9.761 1.00 0.00 C ATOM 183 CG LYS A 97 -4.024 12.870 -9.619 1.00 0.00 C ATOM 184 CD LYS A 97 -5.252 13.449 -10.292 1.00 0.00 C ATOM 185 CE LYS A 97 -5.211 14.967 -10.290 1.00 0.00 C ATOM 186 NZ LYS A 97 -6.485 15.560 -10.764 1.00 0.00 N ATOM 0 H LYS A 97 -2.570 11.720 -7.109 1.00 0.00 H new ATOM 0 HA LYS A 97 -2.764 9.665 -9.128 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -3.818 11.102 -10.812 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -4.904 10.924 -9.448 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -4.032 13.134 -8.562 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -3.129 13.316 -10.053 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -5.314 13.085 -11.318 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -6.149 13.106 -9.777 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -4.999 15.322 -9.281 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -4.394 15.308 -10.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -6.413 16.597 -10.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -6.675 15.243 -11.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -7.262 15.256 -10.142 1.00 0.00 H new ATOM 200 N GLY A 98 -0.747 11.897 -8.384 1.00 0.00 N ATOM 201 CA GLY A 98 0.380 12.749 -8.707 1.00 0.00 C ATOM 202 C GLY A 98 1.688 12.001 -8.855 1.00 0.00 C ATOM 203 O GLY A 98 2.096 11.658 -9.965 1.00 0.00 O ATOM 0 H GLY A 98 -0.904 11.748 -7.387 1.00 0.00 H new ATOM 0 HA2 GLY A 98 0.168 13.279 -9.635 1.00 0.00 H new ATOM 0 HA3 GLY A 98 0.489 13.503 -7.927 1.00 0.00 H new ATOM 207 N ARG A 99 2.337 11.741 -7.734 1.00 0.00 N ATOM 208 CA ARG A 99 3.673 11.173 -7.732 1.00 0.00 C ATOM 209 C ARG A 99 3.622 9.656 -7.631 1.00 0.00 C ATOM 210 O ARG A 99 2.943 9.100 -6.765 1.00 0.00 O ATOM 211 CB ARG A 99 4.489 11.761 -6.578 1.00 0.00 C ATOM 212 CG ARG A 99 5.878 11.157 -6.428 1.00 0.00 C ATOM 213 CD ARG A 99 6.726 11.960 -5.456 1.00 0.00 C ATOM 214 NE ARG A 99 6.961 13.321 -5.941 1.00 0.00 N ATOM 215 CZ ARG A 99 7.537 14.286 -5.225 1.00 0.00 C ATOM 216 NH1 ARG A 99 7.970 14.039 -3.995 1.00 0.00 N ATOM 217 NH2 ARG A 99 7.696 15.497 -5.753 1.00 0.00 N ATOM 0 H ARG A 99 1.955 11.916 -6.804 1.00 0.00 H new ATOM 0 HA ARG A 99 4.157 11.428 -8.675 1.00 0.00 H new ATOM 0 HB2 ARG A 99 4.586 12.836 -6.727 1.00 0.00 H new ATOM 0 HB3 ARG A 99 3.939 11.617 -5.648 1.00 0.00 H new ATOM 0 HG2 ARG A 99 5.794 10.128 -6.077 1.00 0.00 H new ATOM 0 HG3 ARG A 99 6.369 11.123 -7.400 1.00 0.00 H new ATOM 0 HD2 ARG A 99 6.230 12.000 -4.486 1.00 0.00 H new ATOM 0 HD3 ARG A 99 7.681 11.457 -5.305 1.00 0.00 H new ATOM 0 HE ARG A 99 6.664 13.546 -6.891 1.00 0.00 H new ATOM 0 HH11 ARG A 99 7.863 13.107 -3.594 1.00 0.00 H new ATOM 0 HH12 ARG A 99 8.410 14.781 -3.451 1.00 0.00 H new ATOM 0 HH21 ARG A 99 7.377 15.685 -6.704 1.00 0.00 H new ATOM 0 HH22 ARG A 99 8.137 16.238 -5.207 1.00 0.00 H new ATOM 231 N SER A 100 4.333 8.997 -8.534 1.00 0.00 N ATOM 232 CA SER A 100 4.438 7.550 -8.525 1.00 0.00 C ATOM 233 C SER A 100 5.599 7.106 -7.636 1.00 0.00 C ATOM 234 O SER A 100 6.766 7.170 -8.029 1.00 0.00 O ATOM 235 CB SER A 100 4.612 7.044 -9.961 1.00 0.00 C ATOM 236 OG SER A 100 5.468 7.899 -10.704 1.00 0.00 O ATOM 0 H SER A 100 4.850 9.449 -9.288 1.00 0.00 H new ATOM 0 HA SER A 100 3.525 7.121 -8.113 1.00 0.00 H new ATOM 0 HB2 SER A 100 5.024 6.035 -9.947 1.00 0.00 H new ATOM 0 HB3 SER A 100 3.639 6.984 -10.449 1.00 0.00 H new ATOM 0 HG SER A 100 5.564 7.553 -11.616 1.00 0.00 H new ATOM 242 N SER A 101 5.273 6.686 -6.422 1.00 0.00 N ATOM 243 CA SER A 101 6.285 6.284 -5.462 1.00 0.00 C ATOM 244 C SER A 101 6.378 4.766 -5.392 1.00 0.00 C ATOM 245 O SER A 101 5.398 4.080 -5.087 1.00 0.00 O ATOM 246 CB SER A 101 5.954 6.868 -4.090 1.00 0.00 C ATOM 247 OG SER A 101 5.719 8.262 -4.189 1.00 0.00 O ATOM 0 H SER A 101 4.314 6.616 -6.080 1.00 0.00 H new ATOM 0 HA SER A 101 7.253 6.668 -5.783 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.074 6.373 -3.680 1.00 0.00 H new ATOM 0 HB3 SER A 101 6.776 6.680 -3.400 1.00 0.00 H new ATOM 0 HG SER A 101 5.507 8.622 -3.303 1.00 0.00 H new ATOM 253 N THR A 102 7.551 4.244 -5.701 1.00 0.00 N ATOM 254 CA THR A 102 7.771 2.816 -5.693 1.00 0.00 C ATOM 255 C THR A 102 8.055 2.327 -4.274 1.00 0.00 C ATOM 256 O THR A 102 9.147 2.536 -3.744 1.00 0.00 O ATOM 257 CB THR A 102 8.952 2.447 -6.605 1.00 0.00 C ATOM 258 OG1 THR A 102 9.109 3.448 -7.621 1.00 0.00 O ATOM 259 CG2 THR A 102 8.723 1.096 -7.259 1.00 0.00 C ATOM 0 H THR A 102 8.369 4.795 -5.962 1.00 0.00 H new ATOM 0 HA THR A 102 6.867 2.333 -6.065 1.00 0.00 H new ATOM 0 HB THR A 102 9.855 2.394 -5.997 1.00 0.00 H new ATOM 0 HG1 THR A 102 9.864 3.211 -8.200 1.00 0.00 H new ATOM 0 HG21 THR A 102 9.570 0.854 -7.900 1.00 0.00 H new ATOM 0 HG22 THR A 102 8.621 0.332 -6.489 1.00 0.00 H new ATOM 0 HG23 THR A 102 7.813 1.131 -7.858 1.00 0.00 H new ATOM 267 N TYR A 103 7.065 1.701 -3.655 1.00 0.00 N ATOM 268 CA TYR A 103 7.218 1.171 -2.308 1.00 0.00 C ATOM 269 C TYR A 103 7.617 -0.294 -2.363 1.00 0.00 C ATOM 270 O TYR A 103 6.970 -1.094 -3.036 1.00 0.00 O ATOM 271 CB TYR A 103 5.925 1.324 -1.504 1.00 0.00 C ATOM 272 CG TYR A 103 5.626 2.739 -1.068 1.00 0.00 C ATOM 273 CD1 TYR A 103 6.159 3.244 0.110 1.00 0.00 C ATOM 274 CD2 TYR A 103 4.804 3.564 -1.822 1.00 0.00 C ATOM 275 CE1 TYR A 103 5.882 4.533 0.525 1.00 0.00 C ATOM 276 CE2 TYR A 103 4.520 4.853 -1.415 1.00 0.00 C ATOM 277 CZ TYR A 103 5.062 5.332 -0.241 1.00 0.00 C ATOM 278 OH TYR A 103 4.777 6.613 0.170 1.00 0.00 O ATOM 0 H TYR A 103 6.144 1.547 -4.066 1.00 0.00 H new ATOM 0 HA TYR A 103 8.002 1.742 -1.810 1.00 0.00 H new ATOM 0 HB2 TYR A 103 5.092 0.958 -2.105 1.00 0.00 H new ATOM 0 HB3 TYR A 103 5.984 0.689 -0.620 1.00 0.00 H new ATOM 0 HD1 TYR A 103 6.801 2.619 0.713 1.00 0.00 H new ATOM 0 HD2 TYR A 103 4.379 3.192 -2.743 1.00 0.00 H new ATOM 0 HE1 TYR A 103 6.306 4.911 1.444 1.00 0.00 H new ATOM 0 HE2 TYR A 103 3.877 5.482 -2.013 1.00 0.00 H new ATOM 0 HH TYR A 103 4.186 7.042 -0.483 1.00 0.00 H new ATOM 288 N GLU A 104 8.683 -0.638 -1.664 1.00 0.00 N ATOM 289 CA GLU A 104 9.154 -2.010 -1.637 1.00 0.00 C ATOM 290 C GLU A 104 8.470 -2.799 -0.529 1.00 0.00 C ATOM 291 O GLU A 104 8.394 -2.364 0.623 1.00 0.00 O ATOM 292 CB GLU A 104 10.671 -2.075 -1.474 1.00 0.00 C ATOM 293 CG GLU A 104 11.207 -1.263 -0.311 1.00 0.00 C ATOM 294 CD GLU A 104 11.436 0.196 -0.665 1.00 0.00 C ATOM 295 OE1 GLU A 104 12.541 0.528 -1.145 1.00 0.00 O ATOM 296 OE2 GLU A 104 10.515 1.017 -0.478 1.00 0.00 O ATOM 0 H GLU A 104 9.238 0.013 -1.108 1.00 0.00 H new ATOM 0 HA GLU A 104 8.896 -2.462 -2.595 1.00 0.00 H new ATOM 0 HB2 GLU A 104 10.967 -3.116 -1.343 1.00 0.00 H new ATOM 0 HB3 GLU A 104 11.139 -1.724 -2.394 1.00 0.00 H new ATOM 0 HG2 GLU A 104 10.506 -1.324 0.522 1.00 0.00 H new ATOM 0 HG3 GLU A 104 12.145 -1.701 0.029 1.00 0.00 H new ATOM 303 N VAL A 105 7.977 -3.962 -0.906 1.00 0.00 N ATOM 304 CA VAL A 105 7.238 -4.851 -0.018 1.00 0.00 C ATOM 305 C VAL A 105 7.501 -6.298 -0.422 1.00 0.00 C ATOM 306 O VAL A 105 8.293 -6.558 -1.321 1.00 0.00 O ATOM 307 CB VAL A 105 5.709 -4.588 -0.049 1.00 0.00 C ATOM 308 CG1 VAL A 105 5.368 -3.216 0.512 1.00 0.00 C ATOM 309 CG2 VAL A 105 5.160 -4.737 -1.459 1.00 0.00 C ATOM 0 H VAL A 105 8.078 -4.326 -1.853 1.00 0.00 H new ATOM 0 HA VAL A 105 7.585 -4.659 0.997 1.00 0.00 H new ATOM 0 HB VAL A 105 5.237 -5.337 0.587 1.00 0.00 H new ATOM 0 HG11 VAL A 105 4.289 -3.066 0.475 1.00 0.00 H new ATOM 0 HG12 VAL A 105 5.708 -3.151 1.546 1.00 0.00 H new ATOM 0 HG13 VAL A 105 5.862 -2.447 -0.082 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.087 -4.548 -1.453 1.00 0.00 H new ATOM 0 HG22 VAL A 105 5.651 -4.021 -2.118 1.00 0.00 H new ATOM 0 HG23 VAL A 105 5.348 -5.749 -1.818 1.00 0.00 H new ATOM 319 N ARG A 106 6.875 -7.232 0.269 1.00 0.00 N ATOM 320 CA ARG A 106 6.953 -8.637 -0.103 1.00 0.00 C ATOM 321 C ARG A 106 5.596 -9.293 0.089 1.00 0.00 C ATOM 322 O ARG A 106 4.715 -8.727 0.726 1.00 0.00 O ATOM 323 CB ARG A 106 8.025 -9.368 0.715 1.00 0.00 C ATOM 324 CG ARG A 106 9.327 -9.590 -0.047 1.00 0.00 C ATOM 325 CD ARG A 106 9.101 -10.469 -1.267 1.00 0.00 C ATOM 326 NE ARG A 106 10.333 -10.750 -1.998 1.00 0.00 N ATOM 327 CZ ARG A 106 10.646 -11.946 -2.495 1.00 0.00 C ATOM 328 NH1 ARG A 106 9.837 -12.985 -2.317 1.00 0.00 N ATOM 329 NH2 ARG A 106 11.773 -12.105 -3.174 1.00 0.00 N ATOM 0 H ARG A 106 6.305 -7.045 1.094 1.00 0.00 H new ATOM 0 HA ARG A 106 7.237 -8.702 -1.153 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.235 -8.795 1.618 1.00 0.00 H new ATOM 0 HB3 ARG A 106 7.631 -10.333 1.035 1.00 0.00 H new ATOM 0 HG2 ARG A 106 9.739 -8.630 -0.357 1.00 0.00 H new ATOM 0 HG3 ARG A 106 10.062 -10.055 0.610 1.00 0.00 H new ATOM 0 HD2 ARG A 106 8.648 -11.409 -0.953 1.00 0.00 H new ATOM 0 HD3 ARG A 106 8.391 -9.981 -1.935 1.00 0.00 H new ATOM 0 HE ARG A 106 10.994 -9.985 -2.137 1.00 0.00 H new ATOM 0 HH11 ARG A 106 8.968 -12.871 -1.796 1.00 0.00 H new ATOM 0 HH12 ARG A 106 10.085 -13.897 -2.701 1.00 0.00 H new ATOM 0 HH21 ARG A 106 12.399 -11.312 -3.315 1.00 0.00 H new ATOM 0 HH22 ARG A 106 12.014 -13.020 -3.555 1.00 0.00 H new ATOM 343 N LEU A 107 5.429 -10.486 -0.454 1.00 0.00 N ATOM 344 CA LEU A 107 4.156 -11.189 -0.356 1.00 0.00 C ATOM 345 C LEU A 107 4.009 -11.820 1.025 1.00 0.00 C ATOM 346 O LEU A 107 2.963 -12.370 1.362 1.00 0.00 O ATOM 347 CB LEU A 107 4.033 -12.276 -1.437 1.00 0.00 C ATOM 348 CG LEU A 107 4.063 -11.795 -2.895 1.00 0.00 C ATOM 349 CD1 LEU A 107 5.478 -11.448 -3.335 1.00 0.00 C ATOM 350 CD2 LEU A 107 3.465 -12.853 -3.813 1.00 0.00 C ATOM 0 H LEU A 107 6.154 -10.989 -0.966 1.00 0.00 H new ATOM 0 HA LEU A 107 3.360 -10.460 -0.510 1.00 0.00 H new ATOM 0 HB2 LEU A 107 4.844 -12.991 -1.296 1.00 0.00 H new ATOM 0 HB3 LEU A 107 3.100 -12.816 -1.274 1.00 0.00 H new ATOM 0 HG LEU A 107 3.461 -10.889 -2.962 1.00 0.00 H new ATOM 0 HD11 LEU A 107 5.464 -11.111 -4.372 1.00 0.00 H new ATOM 0 HD12 LEU A 107 5.872 -10.654 -2.701 1.00 0.00 H new ATOM 0 HD13 LEU A 107 6.113 -12.330 -3.249 1.00 0.00 H new ATOM 0 HD21 LEU A 107 3.493 -12.498 -4.843 1.00 0.00 H new ATOM 0 HD22 LEU A 107 4.042 -13.774 -3.731 1.00 0.00 H new ATOM 0 HD23 LEU A 107 2.432 -13.044 -3.523 1.00 0.00 H new ATOM 362 N THR A 108 5.065 -11.727 1.818 1.00 0.00 N ATOM 363 CA THR A 108 5.104 -12.351 3.128 1.00 0.00 C ATOM 364 C THR A 108 4.621 -11.400 4.224 1.00 0.00 C ATOM 365 O THR A 108 4.527 -11.780 5.390 1.00 0.00 O ATOM 366 CB THR A 108 6.540 -12.802 3.449 1.00 0.00 C ATOM 367 OG1 THR A 108 7.239 -13.067 2.222 1.00 0.00 O ATOM 368 CG2 THR A 108 6.540 -14.054 4.318 1.00 0.00 C ATOM 0 H THR A 108 5.915 -11.219 1.572 1.00 0.00 H new ATOM 0 HA THR A 108 4.435 -13.211 3.102 1.00 0.00 H new ATOM 0 HB THR A 108 7.039 -12.005 4.000 1.00 0.00 H new ATOM 0 HG1 THR A 108 8.155 -13.353 2.422 1.00 0.00 H new ATOM 0 HG21 THR A 108 7.567 -14.350 4.529 1.00 0.00 H new ATOM 0 HG22 THR A 108 6.022 -13.847 5.255 1.00 0.00 H new ATOM 0 HG23 THR A 108 6.030 -14.862 3.793 1.00 0.00 H new ATOM 376 N GLN A 109 4.311 -10.166 3.853 1.00 0.00 N ATOM 377 CA GLN A 109 3.867 -9.181 4.829 1.00 0.00 C ATOM 378 C GLN A 109 2.418 -8.776 4.570 1.00 0.00 C ATOM 379 O GLN A 109 1.794 -9.245 3.617 1.00 0.00 O ATOM 380 CB GLN A 109 4.809 -7.962 4.850 1.00 0.00 C ATOM 381 CG GLN A 109 5.075 -7.320 3.490 1.00 0.00 C ATOM 382 CD GLN A 109 3.929 -6.456 2.998 1.00 0.00 C ATOM 383 OE1 GLN A 109 3.031 -6.927 2.309 1.00 0.00 O ATOM 384 NE2 GLN A 109 3.959 -5.179 3.345 1.00 0.00 N ATOM 0 H GLN A 109 4.358 -9.825 2.893 1.00 0.00 H new ATOM 0 HA GLN A 109 3.906 -9.636 5.819 1.00 0.00 H new ATOM 0 HB2 GLN A 109 4.386 -7.208 5.513 1.00 0.00 H new ATOM 0 HB3 GLN A 109 5.762 -8.267 5.282 1.00 0.00 H new ATOM 0 HG2 GLN A 109 5.977 -6.712 3.554 1.00 0.00 H new ATOM 0 HG3 GLN A 109 5.270 -8.104 2.758 1.00 0.00 H new ATOM 0 HE21 GLN A 109 4.724 -4.824 3.920 1.00 0.00 H new ATOM 0 HE22 GLN A 109 3.218 -4.549 3.038 1.00 0.00 H new ATOM 393 N THR A 110 1.888 -7.907 5.417 1.00 0.00 N ATOM 394 CA THR A 110 0.486 -7.530 5.349 1.00 0.00 C ATOM 395 C THR A 110 0.301 -6.090 4.878 1.00 0.00 C ATOM 396 O THR A 110 1.260 -5.309 4.824 1.00 0.00 O ATOM 397 CB THR A 110 -0.180 -7.712 6.721 1.00 0.00 C ATOM 398 OG1 THR A 110 0.657 -7.154 7.744 1.00 0.00 O ATOM 399 CG2 THR A 110 -0.429 -9.185 7.008 1.00 0.00 C ATOM 0 H THR A 110 2.411 -7.448 6.163 1.00 0.00 H new ATOM 0 HA THR A 110 0.012 -8.185 4.618 1.00 0.00 H new ATOM 0 HB THR A 110 -1.139 -7.194 6.712 1.00 0.00 H new ATOM 0 HG1 THR A 110 0.228 -7.271 8.617 1.00 0.00 H new ATOM 0 HG21 THR A 110 -0.901 -9.291 7.985 1.00 0.00 H new ATOM 0 HG22 THR A 110 -1.084 -9.599 6.242 1.00 0.00 H new ATOM 0 HG23 THR A 110 0.520 -9.722 7.004 1.00 0.00 H new ATOM 407 N VAL A 111 -0.943 -5.744 4.549 1.00 0.00 N ATOM 408 CA VAL A 111 -1.292 -4.401 4.088 1.00 0.00 C ATOM 409 C VAL A 111 -0.921 -3.358 5.139 1.00 0.00 C ATOM 410 O VAL A 111 -0.572 -2.219 4.808 1.00 0.00 O ATOM 411 CB VAL A 111 -2.804 -4.294 3.776 1.00 0.00 C ATOM 412 CG1 VAL A 111 -3.158 -2.906 3.261 1.00 0.00 C ATOM 413 CG2 VAL A 111 -3.219 -5.363 2.777 1.00 0.00 C ATOM 0 H VAL A 111 -1.735 -6.385 4.594 1.00 0.00 H new ATOM 0 HA VAL A 111 -0.728 -4.212 3.175 1.00 0.00 H new ATOM 0 HB VAL A 111 -3.355 -4.457 4.702 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.226 -2.858 3.049 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -2.904 -2.162 4.016 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -2.598 -2.703 2.348 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -4.285 -5.273 2.569 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -2.657 -5.234 1.852 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -3.013 -6.349 3.193 1.00 0.00 H new ATOM 423 N ALA A 112 -0.982 -3.765 6.404 1.00 0.00 N ATOM 424 CA ALA A 112 -0.645 -2.897 7.527 1.00 0.00 C ATOM 425 C ALA A 112 0.714 -2.228 7.342 1.00 0.00 C ATOM 426 O ALA A 112 0.857 -1.031 7.575 1.00 0.00 O ATOM 427 CB ALA A 112 -0.658 -3.692 8.824 1.00 0.00 C ATOM 0 H ALA A 112 -1.266 -4.705 6.679 1.00 0.00 H new ATOM 0 HA ALA A 112 -1.399 -2.111 7.572 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -0.405 -3.035 9.656 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -1.651 -4.113 8.983 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.073 -4.499 8.764 1.00 0.00 H new ATOM 433 N HIS A 113 1.703 -2.990 6.885 1.00 0.00 N ATOM 434 CA HIS A 113 3.066 -2.476 6.786 1.00 0.00 C ATOM 435 C HIS A 113 3.212 -1.510 5.609 1.00 0.00 C ATOM 436 O HIS A 113 4.193 -0.779 5.516 1.00 0.00 O ATOM 437 CB HIS A 113 4.074 -3.622 6.668 1.00 0.00 C ATOM 438 CG HIS A 113 5.480 -3.217 7.006 1.00 0.00 C ATOM 439 ND1 HIS A 113 5.946 -3.133 8.299 1.00 0.00 N ATOM 440 CD2 HIS A 113 6.518 -2.858 6.213 1.00 0.00 C ATOM 441 CE1 HIS A 113 7.205 -2.740 8.289 1.00 0.00 C ATOM 442 NE2 HIS A 113 7.578 -2.566 7.036 1.00 0.00 N ATOM 0 H HIS A 113 1.589 -3.957 6.580 1.00 0.00 H new ATOM 0 HA HIS A 113 3.277 -1.924 7.702 1.00 0.00 H new ATOM 0 HB2 HIS A 113 3.769 -4.434 7.328 1.00 0.00 H new ATOM 0 HB3 HIS A 113 4.051 -4.013 5.651 1.00 0.00 H new ATOM 0 HD2 HIS A 113 6.513 -2.810 5.134 1.00 0.00 H new ATOM 0 HE1 HIS A 113 7.825 -2.587 9.160 1.00 0.00 H new ATOM 0 HE2 HIS A 113 8.502 -2.264 6.728 1.00 0.00 H new ATOM 451 N LEU A 114 2.239 -1.509 4.711 1.00 0.00 N ATOM 452 CA LEU A 114 2.221 -0.545 3.619 1.00 0.00 C ATOM 453 C LEU A 114 1.514 0.720 4.078 1.00 0.00 C ATOM 454 O LEU A 114 2.015 1.835 3.909 1.00 0.00 O ATOM 455 CB LEU A 114 1.509 -1.128 2.399 1.00 0.00 C ATOM 456 CG LEU A 114 1.454 -0.203 1.179 1.00 0.00 C ATOM 457 CD1 LEU A 114 2.857 0.074 0.655 1.00 0.00 C ATOM 458 CD2 LEU A 114 0.577 -0.800 0.086 1.00 0.00 C ATOM 0 H LEU A 114 1.455 -2.161 4.715 1.00 0.00 H new ATOM 0 HA LEU A 114 3.247 -0.309 3.336 1.00 0.00 H new ATOM 0 HB2 LEU A 114 2.009 -2.053 2.113 1.00 0.00 H new ATOM 0 HB3 LEU A 114 0.490 -1.391 2.683 1.00 0.00 H new ATOM 0 HG LEU A 114 1.010 0.744 1.488 1.00 0.00 H new ATOM 0 HD11 LEU A 114 2.798 0.733 -0.212 1.00 0.00 H new ATOM 0 HD12 LEU A 114 3.449 0.553 1.435 1.00 0.00 H new ATOM 0 HD13 LEU A 114 3.329 -0.865 0.366 1.00 0.00 H new ATOM 0 HD21 LEU A 114 0.553 -0.126 -0.770 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.984 -1.763 -0.222 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -0.435 -0.939 0.467 1.00 0.00 H new ATOM 470 N LYS A 115 0.357 0.521 4.687 1.00 0.00 N ATOM 471 CA LYS A 115 -0.442 1.612 5.221 1.00 0.00 C ATOM 472 C LYS A 115 0.345 2.394 6.267 1.00 0.00 C ATOM 473 O LYS A 115 0.341 3.619 6.265 1.00 0.00 O ATOM 474 CB LYS A 115 -1.732 1.041 5.818 1.00 0.00 C ATOM 475 CG LYS A 115 -2.600 2.053 6.545 1.00 0.00 C ATOM 476 CD LYS A 115 -3.905 1.414 6.996 1.00 0.00 C ATOM 477 CE LYS A 115 -4.641 2.282 7.998 1.00 0.00 C ATOM 478 NZ LYS A 115 -4.947 3.627 7.455 1.00 0.00 N ATOM 0 H LYS A 115 -0.055 -0.402 4.825 1.00 0.00 H new ATOM 0 HA LYS A 115 -0.695 2.304 4.418 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -2.318 0.590 5.017 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -1.472 0.242 6.512 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -2.064 2.446 7.409 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -2.810 2.898 5.889 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -4.543 1.239 6.129 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -3.698 0.441 7.441 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -5.569 1.790 8.290 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -4.037 2.385 8.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -5.632 4.104 8.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -4.073 4.189 7.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -5.351 3.533 6.501 1.00 0.00 H new ATOM 492 N GLN A 116 1.044 1.669 7.134 1.00 0.00 N ATOM 493 CA GLN A 116 1.834 2.279 8.203 1.00 0.00 C ATOM 494 C GLN A 116 2.964 3.137 7.638 1.00 0.00 C ATOM 495 O GLN A 116 3.349 4.133 8.246 1.00 0.00 O ATOM 496 CB GLN A 116 2.401 1.189 9.114 1.00 0.00 C ATOM 497 CG GLN A 116 3.152 1.721 10.323 1.00 0.00 C ATOM 498 CD GLN A 116 3.626 0.614 11.242 1.00 0.00 C ATOM 499 OE1 GLN A 116 3.914 -0.500 10.800 1.00 0.00 O ATOM 500 NE2 GLN A 116 3.702 0.912 12.526 1.00 0.00 N ATOM 0 H GLN A 116 1.081 0.650 7.118 1.00 0.00 H new ATOM 0 HA GLN A 116 1.180 2.930 8.783 1.00 0.00 H new ATOM 0 HB2 GLN A 116 1.583 0.555 9.457 1.00 0.00 H new ATOM 0 HB3 GLN A 116 3.072 0.557 8.532 1.00 0.00 H new ATOM 0 HG2 GLN A 116 4.010 2.303 9.987 1.00 0.00 H new ATOM 0 HG3 GLN A 116 2.505 2.399 10.879 1.00 0.00 H new ATOM 0 HE21 GLN A 116 3.454 1.847 12.848 1.00 0.00 H new ATOM 0 HE22 GLN A 116 4.009 0.207 13.196 1.00 0.00 H new ATOM 509 N GLN A 117 3.498 2.758 6.478 1.00 0.00 N ATOM 510 CA GLN A 117 4.519 3.570 5.821 1.00 0.00 C ATOM 511 C GLN A 117 3.934 4.918 5.429 1.00 0.00 C ATOM 512 O GLN A 117 4.549 5.965 5.641 1.00 0.00 O ATOM 513 CB GLN A 117 5.083 2.860 4.588 1.00 0.00 C ATOM 514 CG GLN A 117 5.984 1.682 4.921 1.00 0.00 C ATOM 515 CD GLN A 117 6.540 0.997 3.687 1.00 0.00 C ATOM 516 OE1 GLN A 117 5.835 -0.006 3.192 1.00 0.00 O flip ATOM 517 NE2 GLN A 117 7.600 1.364 3.186 1.00 0.00 N flip ATOM 0 H GLN A 117 3.244 1.905 5.979 1.00 0.00 H new ATOM 0 HA GLN A 117 5.338 3.723 6.524 1.00 0.00 H new ATOM 0 HB2 GLN A 117 4.256 2.510 3.971 1.00 0.00 H new ATOM 0 HB3 GLN A 117 5.645 3.578 3.991 1.00 0.00 H new ATOM 0 HG2 GLN A 117 6.810 2.027 5.542 1.00 0.00 H new ATOM 0 HG3 GLN A 117 5.423 0.957 5.511 1.00 0.00 H new ATOM 0 HE21 GLN A 117 8.116 2.142 3.597 1.00 0.00 H new ATOM 0 HE22 GLN A 117 7.964 0.890 2.359 1.00 0.00 H new ATOM 526 N VAL A 118 2.732 4.885 4.871 1.00 0.00 N ATOM 527 CA VAL A 118 2.019 6.107 4.532 1.00 0.00 C ATOM 528 C VAL A 118 1.654 6.866 5.804 1.00 0.00 C ATOM 529 O VAL A 118 1.864 8.071 5.902 1.00 0.00 O ATOM 530 CB VAL A 118 0.737 5.812 3.725 1.00 0.00 C ATOM 531 CG1 VAL A 118 0.042 7.103 3.314 1.00 0.00 C ATOM 532 CG2 VAL A 118 1.061 4.963 2.504 1.00 0.00 C ATOM 0 H VAL A 118 2.231 4.026 4.644 1.00 0.00 H new ATOM 0 HA VAL A 118 2.679 6.714 3.913 1.00 0.00 H new ATOM 0 HB VAL A 118 0.054 5.252 4.364 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -0.858 6.867 2.747 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -0.229 7.670 4.205 1.00 0.00 H new ATOM 0 HG13 VAL A 118 0.715 7.698 2.696 1.00 0.00 H new ATOM 0 HG21 VAL A 118 0.146 4.764 1.946 1.00 0.00 H new ATOM 0 HG22 VAL A 118 1.766 5.497 1.867 1.00 0.00 H new ATOM 0 HG23 VAL A 118 1.503 4.020 2.824 1.00 0.00 H new ATOM 542 N SER A 119 1.147 6.132 6.783 1.00 0.00 N ATOM 543 CA SER A 119 0.773 6.690 8.080 1.00 0.00 C ATOM 544 C SER A 119 1.999 7.186 8.862 1.00 0.00 C ATOM 545 O SER A 119 1.864 7.810 9.915 1.00 0.00 O ATOM 546 CB SER A 119 0.023 5.621 8.886 1.00 0.00 C ATOM 547 OG SER A 119 -1.174 5.231 8.229 1.00 0.00 O ATOM 0 H SER A 119 0.982 5.129 6.703 1.00 0.00 H new ATOM 0 HA SER A 119 0.128 7.553 7.913 1.00 0.00 H new ATOM 0 HB2 SER A 119 0.664 4.751 9.027 1.00 0.00 H new ATOM 0 HB3 SER A 119 -0.212 6.007 9.878 1.00 0.00 H new ATOM 0 HG SER A 119 -1.909 5.202 8.877 1.00 0.00 H new ATOM 553 N GLY A 120 3.194 6.899 8.352 1.00 0.00 N ATOM 554 CA GLY A 120 4.407 7.365 8.990 1.00 0.00 C ATOM 555 C GLY A 120 4.994 8.595 8.319 1.00 0.00 C ATOM 556 O GLY A 120 5.540 9.468 8.989 1.00 0.00 O ATOM 0 H GLY A 120 3.341 6.350 7.505 1.00 0.00 H new ATOM 0 HA2 GLY A 120 4.197 7.593 10.035 1.00 0.00 H new ATOM 0 HA3 GLY A 120 5.147 6.565 8.981 1.00 0.00 H new ATOM 560 N LEU A 121 4.892 8.654 6.996 1.00 0.00 N ATOM 561 CA LEU A 121 5.455 9.763 6.225 1.00 0.00 C ATOM 562 C LEU A 121 4.401 10.835 5.962 1.00 0.00 C ATOM 563 O LEU A 121 4.649 12.030 6.110 1.00 0.00 O ATOM 564 CB LEU A 121 6.004 9.247 4.890 1.00 0.00 C ATOM 565 CG LEU A 121 7.116 8.199 5.000 1.00 0.00 C ATOM 566 CD1 LEU A 121 7.524 7.707 3.618 1.00 0.00 C ATOM 567 CD2 LEU A 121 8.318 8.768 5.745 1.00 0.00 C ATOM 0 H LEU A 121 4.424 7.946 6.431 1.00 0.00 H new ATOM 0 HA LEU A 121 6.264 10.205 6.807 1.00 0.00 H new ATOM 0 HB2 LEU A 121 5.180 8.820 4.318 1.00 0.00 H new ATOM 0 HB3 LEU A 121 6.382 10.095 4.319 1.00 0.00 H new ATOM 0 HG LEU A 121 6.734 7.350 5.567 1.00 0.00 H new ATOM 0 HD11 LEU A 121 8.315 6.963 3.715 1.00 0.00 H new ATOM 0 HD12 LEU A 121 6.663 7.258 3.123 1.00 0.00 H new ATOM 0 HD13 LEU A 121 7.887 8.547 3.025 1.00 0.00 H new ATOM 0 HD21 LEU A 121 9.097 8.009 5.813 1.00 0.00 H new ATOM 0 HD22 LEU A 121 8.702 9.635 5.207 1.00 0.00 H new ATOM 0 HD23 LEU A 121 8.016 9.068 6.748 1.00 0.00 H new ATOM 579 N GLU A 122 3.223 10.376 5.582 1.00 0.00 N ATOM 580 CA GLU A 122 2.088 11.226 5.244 1.00 0.00 C ATOM 581 C GLU A 122 1.132 11.284 6.432 1.00 0.00 C ATOM 582 O GLU A 122 -0.005 11.691 6.279 1.00 0.00 O ATOM 583 CB GLU A 122 1.379 10.711 3.983 1.00 0.00 C ATOM 584 CG GLU A 122 0.455 11.730 3.332 1.00 0.00 C ATOM 585 CD GLU A 122 1.172 13.013 2.956 1.00 0.00 C ATOM 586 OE1 GLU A 122 1.984 12.994 2.005 1.00 0.00 O ATOM 587 OE2 GLU A 122 0.922 14.054 3.603 1.00 0.00 O ATOM 0 H GLU A 122 3.020 9.380 5.497 1.00 0.00 H new ATOM 0 HA GLU A 122 2.442 12.234 5.027 1.00 0.00 H new ATOM 0 HB2 GLU A 122 2.131 10.402 3.257 1.00 0.00 H new ATOM 0 HB3 GLU A 122 0.801 9.824 4.241 1.00 0.00 H new ATOM 0 HG2 GLU A 122 0.010 11.292 2.439 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -0.362 11.962 4.015 1.00 0.00 H new ATOM 594 N GLY A 123 1.642 10.762 7.566 1.00 0.00 N ATOM 595 CA GLY A 123 0.947 10.520 8.859 1.00 0.00 C ATOM 596 C GLY A 123 -0.240 11.402 9.304 1.00 0.00 C ATOM 597 O GLY A 123 -0.657 11.288 10.463 1.00 0.00 O ATOM 0 H GLY A 123 2.620 10.476 7.612 1.00 0.00 H new ATOM 0 HA2 GLY A 123 0.590 9.490 8.841 1.00 0.00 H new ATOM 0 HA3 GLY A 123 1.702 10.582 9.643 1.00 0.00 H new ATOM 601 N VAL A 124 -0.743 12.293 8.470 1.00 0.00 N ATOM 602 CA VAL A 124 -2.018 12.981 8.711 1.00 0.00 C ATOM 603 C VAL A 124 -3.090 11.959 9.140 1.00 0.00 C ATOM 604 O VAL A 124 -2.893 10.758 8.946 1.00 0.00 O ATOM 605 CB VAL A 124 -2.495 13.704 7.421 1.00 0.00 C ATOM 606 CG1 VAL A 124 -3.682 14.612 7.694 1.00 0.00 C ATOM 607 CG2 VAL A 124 -1.359 14.491 6.781 1.00 0.00 C ATOM 0 H VAL A 124 -0.285 12.568 7.601 1.00 0.00 H new ATOM 0 HA VAL A 124 -1.870 13.716 9.502 1.00 0.00 H new ATOM 0 HB VAL A 124 -2.817 12.933 6.721 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -3.987 15.100 6.768 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -4.511 14.020 8.083 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -3.401 15.368 8.427 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -1.722 14.986 5.880 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -0.993 15.239 7.484 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -0.548 13.812 6.520 1.00 0.00 H new ATOM 617 N GLN A 125 -4.213 12.434 9.711 1.00 0.00 N ATOM 618 CA GLN A 125 -5.273 11.553 10.238 1.00 0.00 C ATOM 619 C GLN A 125 -5.438 10.290 9.394 1.00 0.00 C ATOM 620 O GLN A 125 -5.782 10.345 8.211 1.00 0.00 O ATOM 621 CB GLN A 125 -6.607 12.291 10.335 1.00 0.00 C ATOM 622 CG GLN A 125 -6.614 13.412 11.360 1.00 0.00 C ATOM 623 CD GLN A 125 -7.992 14.020 11.555 1.00 0.00 C ATOM 624 OE1 GLN A 125 -9.012 13.345 11.404 1.00 0.00 O ATOM 625 NE2 GLN A 125 -8.031 15.301 11.887 1.00 0.00 N ATOM 0 H GLN A 125 -4.410 13.429 9.820 1.00 0.00 H new ATOM 0 HA GLN A 125 -4.962 11.253 11.239 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -6.855 12.704 9.357 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -7.390 11.576 10.587 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -6.252 13.029 12.314 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -5.919 14.191 11.045 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -7.163 15.825 12.002 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -8.929 15.764 12.027 1.00 0.00 H new ATOM 634 N ASP A 126 -5.205 9.161 10.047 1.00 0.00 N ATOM 635 CA ASP A 126 -5.042 7.863 9.392 1.00 0.00 C ATOM 636 C ASP A 126 -6.254 7.467 8.552 1.00 0.00 C ATOM 637 O ASP A 126 -6.124 6.762 7.550 1.00 0.00 O ATOM 638 CB ASP A 126 -4.778 6.800 10.461 1.00 0.00 C ATOM 639 CG ASP A 126 -4.702 5.403 9.894 1.00 0.00 C ATOM 640 OD1 ASP A 126 -3.596 4.969 9.512 1.00 0.00 O ATOM 641 OD2 ASP A 126 -5.754 4.728 9.823 1.00 0.00 O ATOM 0 H ASP A 126 -5.122 9.116 11.063 1.00 0.00 H new ATOM 0 HA ASP A 126 -4.199 7.940 8.706 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -3.843 7.030 10.972 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -5.569 6.840 11.210 1.00 0.00 H new ATOM 646 N ASP A 127 -7.428 7.927 8.951 1.00 0.00 N ATOM 647 CA ASP A 127 -8.665 7.512 8.302 1.00 0.00 C ATOM 648 C ASP A 127 -9.173 8.559 7.315 1.00 0.00 C ATOM 649 O ASP A 127 -10.313 8.488 6.864 1.00 0.00 O ATOM 650 CB ASP A 127 -9.736 7.189 9.351 1.00 0.00 C ATOM 651 CG ASP A 127 -9.883 8.273 10.404 1.00 0.00 C ATOM 652 OD1 ASP A 127 -9.020 8.344 11.307 1.00 0.00 O ATOM 653 OD2 ASP A 127 -10.871 9.035 10.351 1.00 0.00 O ATOM 0 H ASP A 127 -7.553 8.586 9.719 1.00 0.00 H new ATOM 0 HA ASP A 127 -8.449 6.610 7.730 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -10.694 7.044 8.851 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -9.485 6.247 9.840 1.00 0.00 H new ATOM 658 N LEU A 128 -8.326 9.518 6.957 1.00 0.00 N ATOM 659 CA LEU A 128 -8.690 10.496 5.936 1.00 0.00 C ATOM 660 C LEU A 128 -8.262 10.020 4.555 1.00 0.00 C ATOM 661 O LEU A 128 -8.727 10.536 3.534 1.00 0.00 O ATOM 662 CB LEU A 128 -8.061 11.858 6.225 1.00 0.00 C ATOM 663 CG LEU A 128 -8.628 12.599 7.435 1.00 0.00 C ATOM 664 CD1 LEU A 128 -7.940 13.942 7.583 1.00 0.00 C ATOM 665 CD2 LEU A 128 -10.133 12.781 7.297 1.00 0.00 C ATOM 0 H LEU A 128 -7.394 9.640 7.352 1.00 0.00 H new ATOM 0 HA LEU A 128 -9.775 10.601 5.958 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -6.990 11.720 6.374 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -8.182 12.489 5.345 1.00 0.00 H new ATOM 0 HG LEU A 128 -8.441 12.006 8.330 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -8.348 14.466 8.447 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -6.870 13.789 7.723 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -8.107 14.537 6.685 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -10.517 13.311 8.169 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -10.349 13.358 6.398 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -10.613 11.805 7.225 1.00 0.00 H new ATOM 677 N PHE A 129 -7.371 9.039 4.526 1.00 0.00 N ATOM 678 CA PHE A 129 -6.883 8.496 3.270 1.00 0.00 C ATOM 679 C PHE A 129 -7.164 7.002 3.189 1.00 0.00 C ATOM 680 O PHE A 129 -7.141 6.304 4.203 1.00 0.00 O ATOM 681 CB PHE A 129 -5.376 8.759 3.111 1.00 0.00 C ATOM 682 CG PHE A 129 -4.507 8.034 4.110 1.00 0.00 C ATOM 683 CD1 PHE A 129 -4.184 8.615 5.328 1.00 0.00 C ATOM 684 CD2 PHE A 129 -4.011 6.770 3.827 1.00 0.00 C ATOM 685 CE1 PHE A 129 -3.384 7.950 6.240 1.00 0.00 C ATOM 686 CE2 PHE A 129 -3.213 6.100 4.737 1.00 0.00 C ATOM 687 CZ PHE A 129 -2.900 6.690 5.944 1.00 0.00 C ATOM 0 H PHE A 129 -6.973 8.604 5.358 1.00 0.00 H new ATOM 0 HA PHE A 129 -7.410 8.997 2.458 1.00 0.00 H new ATOM 0 HB2 PHE A 129 -5.073 8.468 2.105 1.00 0.00 H new ATOM 0 HB3 PHE A 129 -5.195 9.830 3.201 1.00 0.00 H new ATOM 0 HD1 PHE A 129 -4.562 9.598 5.567 1.00 0.00 H new ATOM 0 HD2 PHE A 129 -4.251 6.303 2.883 1.00 0.00 H new ATOM 0 HE1 PHE A 129 -3.138 8.415 7.183 1.00 0.00 H new ATOM 0 HE2 PHE A 129 -2.835 5.116 4.503 1.00 0.00 H new ATOM 0 HZ PHE A 129 -2.278 6.168 6.656 1.00 0.00 H new ATOM 697 N TRP A 130 -7.443 6.521 1.991 1.00 0.00 N ATOM 698 CA TRP A 130 -7.594 5.097 1.761 1.00 0.00 C ATOM 699 C TRP A 130 -7.122 4.757 0.360 1.00 0.00 C ATOM 700 O TRP A 130 -7.529 5.384 -0.614 1.00 0.00 O ATOM 701 CB TRP A 130 -9.046 4.648 1.967 1.00 0.00 C ATOM 702 CG TRP A 130 -9.232 3.165 1.799 1.00 0.00 C ATOM 703 CD1 TRP A 130 -10.252 2.529 1.152 1.00 0.00 C ATOM 704 CD2 TRP A 130 -8.358 2.132 2.277 1.00 0.00 C ATOM 705 NE1 TRP A 130 -10.069 1.174 1.202 1.00 0.00 N ATOM 706 CE2 TRP A 130 -8.915 0.904 1.883 1.00 0.00 C ATOM 707 CE3 TRP A 130 -7.156 2.125 2.997 1.00 0.00 C ATOM 708 CZ2 TRP A 130 -8.316 -0.313 2.183 1.00 0.00 C ATOM 709 CZ3 TRP A 130 -6.565 0.916 3.294 1.00 0.00 C ATOM 710 CH2 TRP A 130 -7.145 -0.289 2.885 1.00 0.00 C ATOM 0 H TRP A 130 -7.570 7.099 1.160 1.00 0.00 H new ATOM 0 HA TRP A 130 -6.982 4.562 2.487 1.00 0.00 H new ATOM 0 HB2 TRP A 130 -9.372 4.939 2.966 1.00 0.00 H new ATOM 0 HB3 TRP A 130 -9.687 5.172 1.257 1.00 0.00 H new ATOM 0 HD1 TRP A 130 -11.083 3.024 0.671 1.00 0.00 H new ATOM 0 HE1 TRP A 130 -10.694 0.477 0.796 1.00 0.00 H new ATOM 0 HE3 TRP A 130 -6.700 3.051 3.314 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 -8.761 -1.246 1.872 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 -5.640 0.899 3.851 1.00 0.00 H new ATOM 0 HH2 TRP A 130 -6.656 -1.221 3.130 1.00 0.00 H new ATOM 721 N LEU A 131 -6.266 3.762 0.258 1.00 0.00 N ATOM 722 CA LEU A 131 -5.643 3.432 -1.008 1.00 0.00 C ATOM 723 C LEU A 131 -6.147 2.093 -1.522 1.00 0.00 C ATOM 724 O LEU A 131 -6.239 1.119 -0.774 1.00 0.00 O ATOM 725 CB LEU A 131 -4.108 3.426 -0.895 1.00 0.00 C ATOM 726 CG LEU A 131 -3.497 2.499 0.167 1.00 0.00 C ATOM 727 CD1 LEU A 131 -2.071 2.137 -0.221 1.00 0.00 C ATOM 728 CD2 LEU A 131 -3.489 3.164 1.538 1.00 0.00 C ATOM 0 H LEU A 131 -5.985 3.167 1.037 1.00 0.00 H new ATOM 0 HA LEU A 131 -5.921 4.205 -1.725 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -3.697 3.149 -1.866 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -3.778 4.444 -0.688 1.00 0.00 H new ATOM 0 HG LEU A 131 -4.109 1.598 0.219 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -1.644 1.480 0.536 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -2.074 1.627 -1.184 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -1.472 3.045 -0.293 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -3.051 2.485 2.269 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -2.899 4.080 1.495 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -4.511 3.404 1.832 1.00 0.00 H new ATOM 740 N THR A 132 -6.478 2.058 -2.803 1.00 0.00 N ATOM 741 CA THR A 132 -7.017 0.866 -3.433 1.00 0.00 C ATOM 742 C THR A 132 -6.335 0.639 -4.781 1.00 0.00 C ATOM 743 O THR A 132 -6.191 1.570 -5.574 1.00 0.00 O ATOM 744 CB THR A 132 -8.544 0.984 -3.631 1.00 0.00 C ATOM 745 OG1 THR A 132 -8.858 2.172 -4.372 1.00 0.00 O ATOM 746 CG2 THR A 132 -9.259 1.025 -2.287 1.00 0.00 C ATOM 0 H THR A 132 -6.380 2.854 -3.433 1.00 0.00 H new ATOM 0 HA THR A 132 -6.823 0.016 -2.779 1.00 0.00 H new ATOM 0 HB THR A 132 -8.882 0.109 -4.187 1.00 0.00 H new ATOM 0 HG1 THR A 132 -8.140 2.357 -5.013 1.00 0.00 H new ATOM 0 HG21 THR A 132 -10.334 1.108 -2.449 1.00 0.00 H new ATOM 0 HG22 THR A 132 -9.045 0.111 -1.733 1.00 0.00 H new ATOM 0 HG23 THR A 132 -8.910 1.885 -1.716 1.00 0.00 H new ATOM 754 N PHE A 133 -5.884 -0.585 -5.019 1.00 0.00 N ATOM 755 CA PHE A 133 -5.234 -0.924 -6.281 1.00 0.00 C ATOM 756 C PHE A 133 -6.241 -0.951 -7.427 1.00 0.00 C ATOM 757 O PHE A 133 -6.192 -0.131 -8.338 1.00 0.00 O ATOM 758 CB PHE A 133 -4.513 -2.280 -6.167 1.00 0.00 C ATOM 759 CG PHE A 133 -4.270 -2.947 -7.497 1.00 0.00 C ATOM 760 CD1 PHE A 133 -3.312 -2.461 -8.372 1.00 0.00 C ATOM 761 CD2 PHE A 133 -5.024 -4.046 -7.878 1.00 0.00 C ATOM 762 CE1 PHE A 133 -3.115 -3.058 -9.603 1.00 0.00 C ATOM 763 CE2 PHE A 133 -4.828 -4.647 -9.101 1.00 0.00 C ATOM 764 CZ PHE A 133 -3.877 -4.151 -9.967 1.00 0.00 C ATOM 0 H PHE A 133 -5.955 -1.359 -4.358 1.00 0.00 H new ATOM 0 HA PHE A 133 -4.496 -0.152 -6.498 1.00 0.00 H new ATOM 0 HB2 PHE A 133 -3.557 -2.133 -5.664 1.00 0.00 H new ATOM 0 HB3 PHE A 133 -5.105 -2.945 -5.539 1.00 0.00 H new ATOM 0 HD1 PHE A 133 -2.713 -1.608 -8.090 1.00 0.00 H new ATOM 0 HD2 PHE A 133 -5.775 -4.436 -7.207 1.00 0.00 H new ATOM 0 HE1 PHE A 133 -2.367 -2.671 -10.279 1.00 0.00 H new ATOM 0 HE2 PHE A 133 -5.419 -5.506 -9.382 1.00 0.00 H new ATOM 0 HZ PHE A 133 -3.728 -4.617 -10.930 1.00 0.00 H new ATOM 774 N GLU A 134 -7.162 -1.891 -7.349 1.00 0.00 N ATOM 775 CA GLU A 134 -8.111 -2.142 -8.425 1.00 0.00 C ATOM 776 C GLU A 134 -9.394 -1.344 -8.195 1.00 0.00 C ATOM 777 O GLU A 134 -10.337 -1.404 -8.982 1.00 0.00 O ATOM 778 CB GLU A 134 -8.427 -3.640 -8.451 1.00 0.00 C ATOM 779 CG GLU A 134 -9.254 -4.095 -9.637 1.00 0.00 C ATOM 780 CD GLU A 134 -9.838 -5.475 -9.424 1.00 0.00 C ATOM 781 OE1 GLU A 134 -10.901 -5.578 -8.778 1.00 0.00 O ATOM 782 OE2 GLU A 134 -9.230 -6.463 -9.885 1.00 0.00 O ATOM 0 H GLU A 134 -7.277 -2.503 -6.541 1.00 0.00 H new ATOM 0 HA GLU A 134 -7.681 -1.832 -9.377 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -7.489 -4.195 -8.446 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -8.957 -3.901 -7.535 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -10.061 -3.383 -9.811 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -8.633 -4.098 -10.533 1.00 0.00 H new ATOM 789 N GLY A 135 -9.402 -0.574 -7.118 1.00 0.00 N ATOM 790 CA GLY A 135 -10.645 -0.027 -6.605 1.00 0.00 C ATOM 791 C GLY A 135 -11.172 -0.930 -5.514 1.00 0.00 C ATOM 792 O GLY A 135 -12.110 -0.599 -4.789 1.00 0.00 O ATOM 0 H GLY A 135 -8.570 -0.316 -6.588 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -10.481 0.977 -6.215 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -11.377 0.059 -7.408 1.00 0.00 H new ATOM 796 N LYS A 136 -10.532 -2.086 -5.418 1.00 0.00 N ATOM 797 CA LYS A 136 -10.800 -3.060 -4.381 1.00 0.00 C ATOM 798 C LYS A 136 -10.053 -2.643 -3.125 1.00 0.00 C ATOM 799 O LYS A 136 -8.848 -2.378 -3.184 1.00 0.00 O ATOM 800 CB LYS A 136 -10.315 -4.441 -4.843 1.00 0.00 C ATOM 801 CG LYS A 136 -10.649 -5.582 -3.893 1.00 0.00 C ATOM 802 CD LYS A 136 -9.741 -6.782 -4.127 1.00 0.00 C ATOM 803 CE LYS A 136 -9.795 -7.275 -5.567 1.00 0.00 C ATOM 804 NZ LYS A 136 -11.045 -8.028 -5.863 1.00 0.00 N ATOM 0 H LYS A 136 -9.802 -2.374 -6.070 1.00 0.00 H new ATOM 0 HA LYS A 136 -11.869 -3.111 -4.175 1.00 0.00 H new ATOM 0 HB2 LYS A 136 -10.753 -4.658 -5.818 1.00 0.00 H new ATOM 0 HB3 LYS A 136 -9.234 -4.405 -4.980 1.00 0.00 H new ATOM 0 HG2 LYS A 136 -10.547 -5.242 -2.863 1.00 0.00 H new ATOM 0 HG3 LYS A 136 -11.689 -5.878 -4.029 1.00 0.00 H new ATOM 0 HD2 LYS A 136 -8.715 -6.513 -3.876 1.00 0.00 H new ATOM 0 HD3 LYS A 136 -10.032 -7.591 -3.457 1.00 0.00 H new ATOM 0 HE2 LYS A 136 -9.719 -6.423 -6.243 1.00 0.00 H new ATOM 0 HE3 LYS A 136 -8.934 -7.915 -5.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 -11.034 -8.342 -6.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 -11.107 -8.857 -5.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 -11.867 -7.412 -5.704 1.00 0.00 H new ATOM 818 N PRO A 137 -10.742 -2.549 -1.984 1.00 0.00 N ATOM 819 CA PRO A 137 -10.118 -2.131 -0.733 1.00 0.00 C ATOM 820 C PRO A 137 -9.229 -3.225 -0.148 1.00 0.00 C ATOM 821 O PRO A 137 -9.625 -4.388 -0.058 1.00 0.00 O ATOM 822 CB PRO A 137 -11.319 -1.825 0.162 1.00 0.00 C ATOM 823 CG PRO A 137 -12.383 -2.744 -0.328 1.00 0.00 C ATOM 824 CD PRO A 137 -12.178 -2.848 -1.817 1.00 0.00 C ATOM 0 HA PRO A 137 -9.449 -1.279 -0.851 1.00 0.00 H new ATOM 0 HB2 PRO A 137 -11.089 -2.006 1.212 1.00 0.00 H new ATOM 0 HB3 PRO A 137 -11.624 -0.782 0.077 1.00 0.00 H new ATOM 0 HG2 PRO A 137 -12.305 -3.722 0.147 1.00 0.00 H new ATOM 0 HG3 PRO A 137 -13.374 -2.355 -0.095 1.00 0.00 H new ATOM 0 HD2 PRO A 137 -12.428 -3.842 -2.189 1.00 0.00 H new ATOM 0 HD3 PRO A 137 -12.802 -2.138 -2.360 1.00 0.00 H new ATOM 832 N LEU A 138 -8.020 -2.838 0.229 1.00 0.00 N ATOM 833 CA LEU A 138 -7.014 -3.780 0.696 1.00 0.00 C ATOM 834 C LEU A 138 -7.303 -4.206 2.132 1.00 0.00 C ATOM 835 O LEU A 138 -7.336 -3.372 3.037 1.00 0.00 O ATOM 836 CB LEU A 138 -5.624 -3.139 0.616 1.00 0.00 C ATOM 837 CG LEU A 138 -5.348 -2.304 -0.640 1.00 0.00 C ATOM 838 CD1 LEU A 138 -3.945 -1.719 -0.587 1.00 0.00 C ATOM 839 CD2 LEU A 138 -5.530 -3.129 -1.905 1.00 0.00 C ATOM 0 H LEU A 138 -7.709 -1.867 0.220 1.00 0.00 H new ATOM 0 HA LEU A 138 -7.043 -4.663 0.058 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -5.487 -2.503 1.490 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -4.876 -3.929 0.676 1.00 0.00 H new ATOM 0 HG LEU A 138 -6.071 -1.489 -0.666 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -3.763 -1.129 -1.485 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -3.850 -1.081 0.292 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -3.216 -2.527 -0.530 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -5.327 -2.507 -2.777 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -4.840 -3.972 -1.892 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -6.554 -3.499 -1.954 1.00 0.00 H new ATOM 851 N GLU A 139 -7.519 -5.492 2.342 1.00 0.00 N ATOM 852 CA GLU A 139 -7.777 -5.992 3.681 1.00 0.00 C ATOM 853 C GLU A 139 -6.505 -6.554 4.293 1.00 0.00 C ATOM 854 O GLU A 139 -5.775 -7.307 3.648 1.00 0.00 O ATOM 855 CB GLU A 139 -8.874 -7.057 3.671 1.00 0.00 C ATOM 856 CG GLU A 139 -10.184 -6.559 3.089 1.00 0.00 C ATOM 857 CD GLU A 139 -11.367 -7.383 3.542 1.00 0.00 C ATOM 858 OE1 GLU A 139 -11.591 -8.474 2.984 1.00 0.00 O ATOM 859 OE2 GLU A 139 -12.090 -6.938 4.464 1.00 0.00 O ATOM 0 H GLU A 139 -7.521 -6.203 1.611 1.00 0.00 H new ATOM 0 HA GLU A 139 -8.121 -5.156 4.290 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -8.532 -7.917 3.095 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -9.045 -7.403 4.690 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -10.336 -5.520 3.380 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -10.126 -6.580 2.001 1.00 0.00 H new ATOM 866 N ASP A 140 -6.253 -6.193 5.548 1.00 0.00 N ATOM 867 CA ASP A 140 -5.045 -6.620 6.252 1.00 0.00 C ATOM 868 C ASP A 140 -5.059 -8.126 6.500 1.00 0.00 C ATOM 869 O ASP A 140 -4.030 -8.738 6.790 1.00 0.00 O ATOM 870 CB ASP A 140 -4.911 -5.863 7.576 1.00 0.00 C ATOM 871 CG ASP A 140 -3.664 -6.257 8.342 1.00 0.00 C ATOM 872 OD1 ASP A 140 -2.550 -5.979 7.855 1.00 0.00 O ATOM 873 OD2 ASP A 140 -3.794 -6.846 9.436 1.00 0.00 O ATOM 0 H ASP A 140 -6.873 -5.602 6.102 1.00 0.00 H new ATOM 0 HA ASP A 140 -4.184 -6.390 5.624 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -4.889 -4.791 7.378 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -5.789 -6.056 8.192 1.00 0.00 H new ATOM 878 N GLN A 141 -6.241 -8.717 6.386 1.00 0.00 N ATOM 879 CA GLN A 141 -6.398 -10.165 6.425 1.00 0.00 C ATOM 880 C GLN A 141 -5.567 -10.819 5.320 1.00 0.00 C ATOM 881 O GLN A 141 -5.130 -11.962 5.445 1.00 0.00 O ATOM 882 CB GLN A 141 -7.876 -10.530 6.252 1.00 0.00 C ATOM 883 CG GLN A 141 -8.136 -12.025 6.128 1.00 0.00 C ATOM 884 CD GLN A 141 -9.589 -12.350 5.838 1.00 0.00 C ATOM 885 OE1 GLN A 141 -10.491 -11.525 6.336 1.00 0.00 O flip ATOM 886 NE2 GLN A 141 -9.896 -13.339 5.174 1.00 0.00 N flip ATOM 0 H GLN A 141 -7.116 -8.208 6.264 1.00 0.00 H new ATOM 0 HA GLN A 141 -6.047 -10.532 7.390 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -8.437 -10.144 7.103 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -8.261 -10.030 5.363 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -7.512 -12.432 5.332 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -7.836 -12.519 7.052 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -9.169 -13.952 4.806 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -10.878 -13.546 4.991 1.00 0.00 H new ATOM 895 N LEU A 142 -5.345 -10.075 4.250 1.00 0.00 N ATOM 896 CA LEU A 142 -4.634 -10.586 3.096 1.00 0.00 C ATOM 897 C LEU A 142 -3.261 -9.934 2.978 1.00 0.00 C ATOM 898 O LEU A 142 -3.090 -8.763 3.321 1.00 0.00 O ATOM 899 CB LEU A 142 -5.444 -10.311 1.827 1.00 0.00 C ATOM 900 CG LEU A 142 -6.896 -10.798 1.862 1.00 0.00 C ATOM 901 CD1 LEU A 142 -7.619 -10.389 0.593 1.00 0.00 C ATOM 902 CD2 LEU A 142 -6.953 -12.306 2.044 1.00 0.00 C ATOM 0 H LEU A 142 -5.651 -9.106 4.159 1.00 0.00 H new ATOM 0 HA LEU A 142 -4.500 -11.661 3.219 1.00 0.00 H new ATOM 0 HB2 LEU A 142 -5.442 -9.237 1.639 1.00 0.00 H new ATOM 0 HB3 LEU A 142 -4.940 -10.783 0.984 1.00 0.00 H new ATOM 0 HG LEU A 142 -7.395 -10.333 2.712 1.00 0.00 H new ATOM 0 HD11 LEU A 142 -8.650 -10.742 0.632 1.00 0.00 H new ATOM 0 HD12 LEU A 142 -7.610 -9.303 0.503 1.00 0.00 H new ATOM 0 HD13 LEU A 142 -7.117 -10.828 -0.269 1.00 0.00 H new ATOM 0 HD21 LEU A 142 -7.993 -12.631 2.066 1.00 0.00 H new ATOM 0 HD22 LEU A 142 -6.439 -12.792 1.215 1.00 0.00 H new ATOM 0 HD23 LEU A 142 -6.468 -12.578 2.982 1.00 0.00 H new ATOM 914 N PRO A 143 -2.258 -10.689 2.509 1.00 0.00 N ATOM 915 CA PRO A 143 -0.933 -10.147 2.224 1.00 0.00 C ATOM 916 C PRO A 143 -0.955 -9.295 0.958 1.00 0.00 C ATOM 917 O PRO A 143 -1.812 -9.483 0.088 1.00 0.00 O ATOM 918 CB PRO A 143 -0.050 -11.391 2.025 1.00 0.00 C ATOM 919 CG PRO A 143 -0.897 -12.563 2.401 1.00 0.00 C ATOM 920 CD PRO A 143 -2.323 -12.127 2.225 1.00 0.00 C ATOM 0 HA PRO A 143 -0.570 -9.498 3.021 1.00 0.00 H new ATOM 0 HB2 PRO A 143 0.287 -11.469 0.991 1.00 0.00 H new ATOM 0 HB3 PRO A 143 0.843 -11.339 2.648 1.00 0.00 H new ATOM 0 HG2 PRO A 143 -0.673 -13.423 1.770 1.00 0.00 H new ATOM 0 HG3 PRO A 143 -0.707 -12.865 3.431 1.00 0.00 H new ATOM 0 HD2 PRO A 143 -2.685 -12.325 1.216 1.00 0.00 H new ATOM 0 HD3 PRO A 143 -2.993 -12.645 2.911 1.00 0.00 H new ATOM 928 N LEU A 144 -0.011 -8.368 0.848 1.00 0.00 N ATOM 929 CA LEU A 144 0.015 -7.440 -0.281 1.00 0.00 C ATOM 930 C LEU A 144 0.256 -8.146 -1.606 1.00 0.00 C ATOM 931 O LEU A 144 -0.063 -7.599 -2.658 1.00 0.00 O ATOM 932 CB LEU A 144 1.073 -6.355 -0.085 1.00 0.00 C ATOM 933 CG LEU A 144 0.666 -5.216 0.846 1.00 0.00 C ATOM 934 CD1 LEU A 144 1.780 -4.193 0.933 1.00 0.00 C ATOM 935 CD2 LEU A 144 -0.616 -4.559 0.360 1.00 0.00 C ATOM 0 H LEU A 144 0.744 -8.237 1.522 1.00 0.00 H new ATOM 0 HA LEU A 144 -0.972 -6.979 -0.316 1.00 0.00 H new ATOM 0 HB2 LEU A 144 1.978 -6.818 0.307 1.00 0.00 H new ATOM 0 HB3 LEU A 144 1.326 -5.935 -1.059 1.00 0.00 H new ATOM 0 HG LEU A 144 0.485 -5.627 1.839 1.00 0.00 H new ATOM 0 HD11 LEU A 144 1.480 -3.384 1.599 1.00 0.00 H new ATOM 0 HD12 LEU A 144 2.681 -4.668 1.321 1.00 0.00 H new ATOM 0 HD13 LEU A 144 1.982 -3.789 -0.059 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -0.889 -3.750 1.037 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -0.462 -4.158 -0.642 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -1.417 -5.298 0.336 1.00 0.00 H new ATOM 947 N GLY A 145 0.809 -9.354 -1.556 1.00 0.00 N ATOM 948 CA GLY A 145 1.070 -10.110 -2.769 1.00 0.00 C ATOM 949 C GLY A 145 -0.168 -10.281 -3.634 1.00 0.00 C ATOM 950 O GLY A 145 -0.074 -10.327 -4.861 1.00 0.00 O ATOM 0 H GLY A 145 1.082 -9.825 -0.693 1.00 0.00 H new ATOM 0 HA2 GLY A 145 1.844 -9.605 -3.347 1.00 0.00 H new ATOM 0 HA3 GLY A 145 1.460 -11.092 -2.503 1.00 0.00 H new ATOM 954 N GLU A 146 -1.324 -10.352 -2.987 1.00 0.00 N ATOM 955 CA GLU A 146 -2.596 -10.514 -3.680 1.00 0.00 C ATOM 956 C GLU A 146 -2.835 -9.364 -4.665 1.00 0.00 C ATOM 957 O GLU A 146 -3.352 -9.568 -5.764 1.00 0.00 O ATOM 958 CB GLU A 146 -3.733 -10.564 -2.655 1.00 0.00 C ATOM 959 CG GLU A 146 -5.071 -10.996 -3.234 1.00 0.00 C ATOM 960 CD GLU A 146 -5.043 -12.418 -3.751 1.00 0.00 C ATOM 961 OE1 GLU A 146 -4.803 -13.342 -2.947 1.00 0.00 O ATOM 962 OE2 GLU A 146 -5.276 -12.624 -4.960 1.00 0.00 O ATOM 0 H GLU A 146 -1.407 -10.299 -1.972 1.00 0.00 H new ATOM 0 HA GLU A 146 -2.567 -11.446 -4.245 1.00 0.00 H new ATOM 0 HB2 GLU A 146 -3.457 -11.251 -1.855 1.00 0.00 H new ATOM 0 HB3 GLU A 146 -3.845 -9.578 -2.204 1.00 0.00 H new ATOM 0 HG2 GLU A 146 -5.841 -10.906 -2.468 1.00 0.00 H new ATOM 0 HG3 GLU A 146 -5.347 -10.323 -4.045 1.00 0.00 H new ATOM 969 N TYR A 147 -2.455 -8.159 -4.262 1.00 0.00 N ATOM 970 CA TYR A 147 -2.677 -6.972 -5.079 1.00 0.00 C ATOM 971 C TYR A 147 -1.400 -6.565 -5.813 1.00 0.00 C ATOM 972 O TYR A 147 -1.442 -6.044 -6.928 1.00 0.00 O ATOM 973 CB TYR A 147 -3.137 -5.810 -4.197 1.00 0.00 C ATOM 974 CG TYR A 147 -4.169 -6.187 -3.153 1.00 0.00 C ATOM 975 CD1 TYR A 147 -5.506 -6.362 -3.490 1.00 0.00 C ATOM 976 CD2 TYR A 147 -3.799 -6.357 -1.822 1.00 0.00 C ATOM 977 CE1 TYR A 147 -6.444 -6.697 -2.529 1.00 0.00 C ATOM 978 CE2 TYR A 147 -4.733 -6.688 -0.858 1.00 0.00 C ATOM 979 CZ TYR A 147 -6.052 -6.856 -1.214 1.00 0.00 C ATOM 980 OH TYR A 147 -6.984 -7.179 -0.252 1.00 0.00 O ATOM 0 H TYR A 147 -1.990 -7.977 -3.372 1.00 0.00 H new ATOM 0 HA TYR A 147 -3.446 -7.209 -5.814 1.00 0.00 H new ATOM 0 HB2 TYR A 147 -2.268 -5.385 -3.694 1.00 0.00 H new ATOM 0 HB3 TYR A 147 -3.551 -5.028 -4.834 1.00 0.00 H new ATOM 0 HD1 TYR A 147 -5.817 -6.235 -4.516 1.00 0.00 H new ATOM 0 HD2 TYR A 147 -2.765 -6.228 -1.538 1.00 0.00 H new ATOM 0 HE1 TYR A 147 -7.479 -6.834 -2.806 1.00 0.00 H new ATOM 0 HE2 TYR A 147 -4.429 -6.814 0.171 1.00 0.00 H new ATOM 0 HH TYR A 147 -7.807 -7.489 -0.685 1.00 0.00 H new ATOM 990 N GLY A 148 -0.271 -6.821 -5.172 1.00 0.00 N ATOM 991 CA GLY A 148 1.008 -6.326 -5.643 1.00 0.00 C ATOM 992 C GLY A 148 1.802 -7.337 -6.447 1.00 0.00 C ATOM 993 O GLY A 148 2.964 -7.095 -6.745 1.00 0.00 O ATOM 0 H GLY A 148 -0.217 -7.374 -4.317 1.00 0.00 H new ATOM 0 HA2 GLY A 148 0.840 -5.441 -6.256 1.00 0.00 H new ATOM 0 HA3 GLY A 148 1.603 -6.011 -4.785 1.00 0.00 H new ATOM 997 N LEU A 149 1.189 -8.485 -6.749 1.00 0.00 N ATOM 998 CA LEU A 149 1.846 -9.569 -7.505 1.00 0.00 C ATOM 999 C LEU A 149 2.625 -9.067 -8.730 1.00 0.00 C ATOM 1000 O LEU A 149 3.541 -9.739 -9.204 1.00 0.00 O ATOM 1001 CB LEU A 149 0.821 -10.630 -7.950 1.00 0.00 C ATOM 1002 CG LEU A 149 -0.190 -10.208 -9.029 1.00 0.00 C ATOM 1003 CD1 LEU A 149 -0.926 -11.429 -9.565 1.00 0.00 C ATOM 1004 CD2 LEU A 149 -1.193 -9.202 -8.482 1.00 0.00 C ATOM 0 H LEU A 149 0.228 -8.694 -6.480 1.00 0.00 H new ATOM 0 HA LEU A 149 2.567 -10.014 -6.819 1.00 0.00 H new ATOM 0 HB2 LEU A 149 1.368 -11.498 -8.318 1.00 0.00 H new ATOM 0 HB3 LEU A 149 0.264 -10.954 -7.071 1.00 0.00 H new ATOM 0 HG LEU A 149 0.364 -9.734 -9.839 1.00 0.00 H new ATOM 0 HD11 LEU A 149 -1.639 -11.118 -10.328 1.00 0.00 H new ATOM 0 HD12 LEU A 149 -0.208 -12.124 -10.001 1.00 0.00 H new ATOM 0 HD13 LEU A 149 -1.458 -11.920 -8.750 1.00 0.00 H new ATOM 0 HD21 LEU A 149 -1.894 -8.923 -9.268 1.00 0.00 H new ATOM 0 HD22 LEU A 149 -1.739 -9.648 -7.650 1.00 0.00 H new ATOM 0 HD23 LEU A 149 -0.665 -8.314 -8.135 1.00 0.00 H new ATOM 1016 N LYS A 150 2.259 -7.901 -9.251 1.00 0.00 N ATOM 1017 CA LYS A 150 2.993 -7.295 -10.352 1.00 0.00 C ATOM 1018 C LYS A 150 3.851 -6.135 -9.852 1.00 0.00 C ATOM 1019 O LYS A 150 3.380 -5.291 -9.092 1.00 0.00 O ATOM 1020 CB LYS A 150 2.039 -6.797 -11.437 1.00 0.00 C ATOM 1021 CG LYS A 150 1.273 -7.906 -12.134 1.00 0.00 C ATOM 1022 CD LYS A 150 0.364 -7.354 -13.219 1.00 0.00 C ATOM 1023 CE LYS A 150 -0.370 -8.467 -13.947 1.00 0.00 C ATOM 1024 NZ LYS A 150 -1.185 -9.290 -13.018 1.00 0.00 N ATOM 0 H LYS A 150 1.458 -7.358 -8.928 1.00 0.00 H new ATOM 0 HA LYS A 150 3.641 -8.060 -10.780 1.00 0.00 H new ATOM 0 HB2 LYS A 150 1.328 -6.101 -10.991 1.00 0.00 H new ATOM 0 HB3 LYS A 150 2.608 -6.239 -12.180 1.00 0.00 H new ATOM 0 HG2 LYS A 150 1.975 -8.616 -12.572 1.00 0.00 H new ATOM 0 HG3 LYS A 150 0.679 -8.455 -11.403 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -0.359 -6.669 -12.776 1.00 0.00 H new ATOM 0 HD3 LYS A 150 0.954 -6.778 -13.932 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -1.015 -8.037 -14.713 1.00 0.00 H new ATOM 0 HE3 LYS A 150 0.351 -9.104 -14.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -1.847 -9.878 -13.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -0.559 -9.903 -12.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -1.721 -8.667 -12.381 1.00 0.00 H new ATOM 1038 N PRO A 151 5.119 -6.065 -10.289 1.00 0.00 N ATOM 1039 CA PRO A 151 6.037 -4.976 -9.914 1.00 0.00 C ATOM 1040 C PRO A 151 5.614 -3.625 -10.494 1.00 0.00 C ATOM 1041 O PRO A 151 6.322 -2.627 -10.363 1.00 0.00 O ATOM 1042 CB PRO A 151 7.385 -5.409 -10.511 1.00 0.00 C ATOM 1043 CG PRO A 151 7.227 -6.855 -10.843 1.00 0.00 C ATOM 1044 CD PRO A 151 5.775 -7.050 -11.162 1.00 0.00 C ATOM 0 HA PRO A 151 6.061 -4.830 -8.834 1.00 0.00 H new ATOM 0 HB2 PRO A 151 7.626 -4.826 -11.400 1.00 0.00 H new ATOM 0 HB3 PRO A 151 8.197 -5.256 -9.800 1.00 0.00 H new ATOM 0 HG2 PRO A 151 7.853 -7.131 -11.691 1.00 0.00 H new ATOM 0 HG3 PRO A 151 7.530 -7.483 -10.005 1.00 0.00 H new ATOM 0 HD2 PRO A 151 5.563 -6.863 -12.215 1.00 0.00 H new ATOM 0 HD3 PRO A 151 5.445 -8.066 -10.946 1.00 0.00 H new ATOM 1052 N LEU A 152 4.461 -3.609 -11.145 1.00 0.00 N ATOM 1053 CA LEU A 152 3.918 -2.390 -11.715 1.00 0.00 C ATOM 1054 C LEU A 152 2.483 -2.176 -11.246 1.00 0.00 C ATOM 1055 O LEU A 152 1.774 -1.318 -11.774 1.00 0.00 O ATOM 1056 CB LEU A 152 3.980 -2.411 -13.253 1.00 0.00 C ATOM 1057 CG LEU A 152 3.172 -3.514 -13.955 1.00 0.00 C ATOM 1058 CD1 LEU A 152 2.883 -3.114 -15.393 1.00 0.00 C ATOM 1059 CD2 LEU A 152 3.919 -4.843 -13.929 1.00 0.00 C ATOM 0 H LEU A 152 3.881 -4.435 -11.291 1.00 0.00 H new ATOM 0 HA LEU A 152 4.532 -1.559 -11.367 1.00 0.00 H new ATOM 0 HB2 LEU A 152 3.633 -1.446 -13.622 1.00 0.00 H new ATOM 0 HB3 LEU A 152 5.024 -2.510 -13.551 1.00 0.00 H new ATOM 0 HG LEU A 152 2.232 -3.638 -13.417 1.00 0.00 H new ATOM 0 HD11 LEU A 152 2.310 -3.902 -15.882 1.00 0.00 H new ATOM 0 HD12 LEU A 152 2.309 -2.188 -15.405 1.00 0.00 H new ATOM 0 HD13 LEU A 152 3.823 -2.965 -15.925 1.00 0.00 H new ATOM 0 HD21 LEU A 152 3.324 -5.605 -14.433 1.00 0.00 H new ATOM 0 HD22 LEU A 152 4.875 -4.733 -14.440 1.00 0.00 H new ATOM 0 HD23 LEU A 152 4.093 -5.143 -12.895 1.00 0.00 H new ATOM 1071 N SER A 153 2.060 -2.955 -10.249 1.00 0.00 N ATOM 1072 CA SER A 153 0.730 -2.801 -9.673 1.00 0.00 C ATOM 1073 C SER A 153 0.546 -1.382 -9.149 1.00 0.00 C ATOM 1074 O SER A 153 1.140 -0.997 -8.140 1.00 0.00 O ATOM 1075 CB SER A 153 0.506 -3.811 -8.547 1.00 0.00 C ATOM 1076 OG SER A 153 0.401 -5.132 -9.049 1.00 0.00 O ATOM 0 H SER A 153 2.620 -3.696 -9.827 1.00 0.00 H new ATOM 0 HA SER A 153 -0.006 -2.989 -10.455 1.00 0.00 H new ATOM 0 HB2 SER A 153 1.331 -3.755 -7.837 1.00 0.00 H new ATOM 0 HB3 SER A 153 -0.402 -3.554 -8.002 1.00 0.00 H new ATOM 0 HG SER A 153 -0.182 -5.659 -8.464 1.00 0.00 H new ATOM 1082 N THR A 154 -0.261 -0.607 -9.854 1.00 0.00 N ATOM 1083 CA THR A 154 -0.464 0.784 -9.513 1.00 0.00 C ATOM 1084 C THR A 154 -1.557 0.934 -8.460 1.00 0.00 C ATOM 1085 O THR A 154 -2.748 0.827 -8.754 1.00 0.00 O ATOM 1086 CB THR A 154 -0.826 1.605 -10.764 1.00 0.00 C ATOM 1087 OG1 THR A 154 0.116 1.327 -11.815 1.00 0.00 O ATOM 1088 CG2 THR A 154 -0.819 3.094 -10.463 1.00 0.00 C ATOM 0 H THR A 154 -0.787 -0.923 -10.669 1.00 0.00 H new ATOM 0 HA THR A 154 0.471 1.164 -9.101 1.00 0.00 H new ATOM 0 HB THR A 154 -1.830 1.320 -11.078 1.00 0.00 H new ATOM 0 HG1 THR A 154 -0.118 1.849 -12.610 1.00 0.00 H new ATOM 0 HG21 THR A 154 -1.078 3.649 -11.365 1.00 0.00 H new ATOM 0 HG22 THR A 154 -1.548 3.311 -9.682 1.00 0.00 H new ATOM 0 HG23 THR A 154 0.174 3.392 -10.126 1.00 0.00 H new ATOM 1096 N VAL A 155 -1.139 1.161 -7.227 1.00 0.00 N ATOM 1097 CA VAL A 155 -2.068 1.368 -6.133 1.00 0.00 C ATOM 1098 C VAL A 155 -2.335 2.856 -5.967 1.00 0.00 C ATOM 1099 O VAL A 155 -1.407 3.644 -5.769 1.00 0.00 O ATOM 1100 CB VAL A 155 -1.525 0.790 -4.805 1.00 0.00 C ATOM 1101 CG1 VAL A 155 -2.559 0.912 -3.695 1.00 0.00 C ATOM 1102 CG2 VAL A 155 -1.092 -0.662 -4.982 1.00 0.00 C ATOM 0 H VAL A 155 -0.156 1.207 -6.959 1.00 0.00 H new ATOM 0 HA VAL A 155 -2.993 0.844 -6.375 1.00 0.00 H new ATOM 0 HB VAL A 155 -0.650 1.373 -4.518 1.00 0.00 H new ATOM 0 HG11 VAL A 155 -2.153 0.498 -2.772 1.00 0.00 H new ATOM 0 HG12 VAL A 155 -2.808 1.962 -3.543 1.00 0.00 H new ATOM 0 HG13 VAL A 155 -3.458 0.363 -3.974 1.00 0.00 H new ATOM 0 HG21 VAL A 155 -0.714 -1.047 -4.035 1.00 0.00 H new ATOM 0 HG22 VAL A 155 -1.946 -1.260 -5.302 1.00 0.00 H new ATOM 0 HG23 VAL A 155 -0.307 -0.718 -5.736 1.00 0.00 H new ATOM 1112 N PHE A 156 -3.595 3.242 -6.069 1.00 0.00 N ATOM 1113 CA PHE A 156 -3.964 4.641 -5.959 1.00 0.00 C ATOM 1114 C PHE A 156 -4.328 4.993 -4.528 1.00 0.00 C ATOM 1115 O PHE A 156 -5.259 4.429 -3.948 1.00 0.00 O ATOM 1116 CB PHE A 156 -5.126 4.975 -6.896 1.00 0.00 C ATOM 1117 CG PHE A 156 -4.748 4.930 -8.346 1.00 0.00 C ATOM 1118 CD1 PHE A 156 -4.128 6.016 -8.943 1.00 0.00 C ATOM 1119 CD2 PHE A 156 -5.005 3.804 -9.112 1.00 0.00 C ATOM 1120 CE1 PHE A 156 -3.773 5.980 -10.277 1.00 0.00 C ATOM 1121 CE2 PHE A 156 -4.651 3.761 -10.447 1.00 0.00 C ATOM 1122 CZ PHE A 156 -4.035 4.850 -11.030 1.00 0.00 C ATOM 0 H PHE A 156 -4.378 2.607 -6.227 1.00 0.00 H new ATOM 0 HA PHE A 156 -3.100 5.237 -6.254 1.00 0.00 H new ATOM 0 HB2 PHE A 156 -5.941 4.273 -6.718 1.00 0.00 H new ATOM 0 HB3 PHE A 156 -5.503 5.969 -6.656 1.00 0.00 H new ATOM 0 HD1 PHE A 156 -3.920 6.900 -8.359 1.00 0.00 H new ATOM 0 HD2 PHE A 156 -5.488 2.950 -8.660 1.00 0.00 H new ATOM 0 HE1 PHE A 156 -3.291 6.833 -10.732 1.00 0.00 H new ATOM 0 HE2 PHE A 156 -4.856 2.877 -11.033 1.00 0.00 H new ATOM 0 HZ PHE A 156 -3.758 4.820 -12.073 1.00 0.00 H new ATOM 1132 N MET A 157 -3.566 5.913 -3.957 1.00 0.00 N ATOM 1133 CA MET A 157 -3.836 6.415 -2.622 1.00 0.00 C ATOM 1134 C MET A 157 -4.949 7.452 -2.693 1.00 0.00 C ATOM 1135 O MET A 157 -4.701 8.630 -2.941 1.00 0.00 O ATOM 1136 CB MET A 157 -2.570 7.031 -2.024 1.00 0.00 C ATOM 1137 CG MET A 157 -2.694 7.411 -0.558 1.00 0.00 C ATOM 1138 SD MET A 157 -1.287 8.383 0.014 1.00 0.00 S ATOM 1139 CE MET A 157 0.073 7.287 -0.382 1.00 0.00 C ATOM 0 H MET A 157 -2.749 6.329 -4.404 1.00 0.00 H new ATOM 0 HA MET A 157 -4.151 5.592 -1.980 1.00 0.00 H new ATOM 0 HB2 MET A 157 -1.748 6.324 -2.136 1.00 0.00 H new ATOM 0 HB3 MET A 157 -2.307 7.920 -2.597 1.00 0.00 H new ATOM 0 HG2 MET A 157 -3.612 7.980 -0.408 1.00 0.00 H new ATOM 0 HG3 MET A 157 -2.778 6.506 0.044 1.00 0.00 H new ATOM 0 HE1 MET A 157 0.974 7.627 0.128 1.00 0.00 H new ATOM 0 HE2 MET A 157 -0.168 6.275 -0.056 1.00 0.00 H new ATOM 0 HE3 MET A 157 0.242 7.291 -1.459 1.00 0.00 H new ATOM 1149 N ASN A 158 -6.176 7.003 -2.498 1.00 0.00 N ATOM 1150 CA ASN A 158 -7.336 7.854 -2.704 1.00 0.00 C ATOM 1151 C ASN A 158 -7.570 8.776 -1.516 1.00 0.00 C ATOM 1152 O ASN A 158 -7.716 8.329 -0.377 1.00 0.00 O ATOM 1153 CB ASN A 158 -8.584 7.010 -2.971 1.00 0.00 C ATOM 1154 CG ASN A 158 -8.580 6.370 -4.346 1.00 0.00 C ATOM 1155 OD1 ASN A 158 -9.006 6.976 -5.329 1.00 0.00 O ATOM 1156 ND2 ASN A 158 -8.111 5.137 -4.425 1.00 0.00 N ATOM 0 H ASN A 158 -6.396 6.053 -2.197 1.00 0.00 H new ATOM 0 HA ASN A 158 -7.136 8.475 -3.577 1.00 0.00 H new ATOM 0 HB2 ASN A 158 -8.658 6.230 -2.213 1.00 0.00 H new ATOM 0 HB3 ASN A 158 -9.469 7.638 -2.870 1.00 0.00 H new ATOM 0 HD21 ASN A 158 -8.093 4.655 -5.324 1.00 0.00 H new ATOM 0 HD22 ASN A 158 -7.766 4.668 -3.587 1.00 0.00 H new ATOM 1163 N LEU A 159 -7.596 10.069 -1.794 1.00 0.00 N ATOM 1164 CA LEU A 159 -7.865 11.071 -0.779 1.00 0.00 C ATOM 1165 C LEU A 159 -9.280 11.609 -0.962 1.00 0.00 C ATOM 1166 O LEU A 159 -9.514 12.493 -1.785 1.00 0.00 O ATOM 1167 CB LEU A 159 -6.845 12.210 -0.883 1.00 0.00 C ATOM 1168 CG LEU A 159 -5.374 11.787 -0.766 1.00 0.00 C ATOM 1169 CD1 LEU A 159 -4.456 12.968 -1.049 1.00 0.00 C ATOM 1170 CD2 LEU A 159 -5.092 11.214 0.613 1.00 0.00 C ATOM 0 H LEU A 159 -7.432 10.451 -2.725 1.00 0.00 H new ATOM 0 HA LEU A 159 -7.779 10.619 0.209 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -6.986 12.715 -1.839 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -7.059 12.940 -0.102 1.00 0.00 H new ATOM 0 HG LEU A 159 -5.179 11.012 -1.507 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -3.417 12.650 -0.962 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -4.639 13.337 -2.058 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -4.654 13.763 -0.330 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -4.044 10.920 0.677 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -5.304 11.968 1.371 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -5.725 10.343 0.781 1.00 0.00 H new ATOM 1182 N ARG A 160 -10.228 11.050 -0.225 1.00 0.00 N ATOM 1183 CA ARG A 160 -11.616 11.451 -0.376 1.00 0.00 C ATOM 1184 C ARG A 160 -12.287 11.629 0.989 1.00 0.00 C ATOM 1185 O ARG A 160 -12.306 12.733 1.533 1.00 0.00 O ATOM 1186 CB ARG A 160 -12.363 10.434 -1.244 1.00 0.00 C ATOM 1187 CG ARG A 160 -13.701 10.935 -1.765 1.00 0.00 C ATOM 1188 CD ARG A 160 -13.537 12.167 -2.637 1.00 0.00 C ATOM 1189 NE ARG A 160 -12.685 11.917 -3.797 1.00 0.00 N ATOM 1190 CZ ARG A 160 -12.155 12.877 -4.551 1.00 0.00 C ATOM 1191 NH1 ARG A 160 -12.379 14.155 -4.267 1.00 0.00 N ATOM 1192 NH2 ARG A 160 -11.394 12.556 -5.581 1.00 0.00 N ATOM 0 H ARG A 160 -10.064 10.326 0.475 1.00 0.00 H new ATOM 0 HA ARG A 160 -11.651 12.417 -0.879 1.00 0.00 H new ATOM 0 HB2 ARG A 160 -11.733 10.161 -2.091 1.00 0.00 H new ATOM 0 HB3 ARG A 160 -12.527 9.526 -0.663 1.00 0.00 H new ATOM 0 HG2 ARG A 160 -14.187 10.146 -2.338 1.00 0.00 H new ATOM 0 HG3 ARG A 160 -14.355 11.168 -0.925 1.00 0.00 H new ATOM 0 HD2 ARG A 160 -14.517 12.503 -2.975 1.00 0.00 H new ATOM 0 HD3 ARG A 160 -13.110 12.975 -2.043 1.00 0.00 H new ATOM 0 HE ARG A 160 -12.484 10.948 -4.044 1.00 0.00 H new ATOM 0 HH11 ARG A 160 -12.960 14.405 -3.467 1.00 0.00 H new ATOM 0 HH12 ARG A 160 -11.970 14.886 -4.849 1.00 0.00 H new ATOM 0 HH21 ARG A 160 -11.214 11.575 -5.796 1.00 0.00 H new ATOM 0 HH22 ARG A 160 -10.986 13.289 -6.161 1.00 0.00 H new TER 1206 ARG A 160