USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 755 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 50 HIS :FLIP no HD1:sc= -1.11 F(o=-2.3,f=-1.1) USER MOD Set 1.2: A 71 LYS NZ :NH3+ 158:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -0.13 X(o=-0.13,f=-0.025) USER MOD Single : A 4 GLN :FLIP amide:sc= -0.298 F(o=-0.83,f=-0.3) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -153:sc= -0.228 (180deg=-1.14!) USER MOD Single : A 16 HIS : no HE2:sc= -9.78! C(o=-9.8!,f=-15!) USER MOD Single : A 21 GLN :FLIP amide:sc= -0.919 F(o=-1.8!,f=-0.92) USER MOD Single : A 24 MET CE :methyl -131:sc= -0.199 (180deg=-3.55!) USER MOD Single : A 26 THR OG1 : rot 86:sc= 0.648 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 MET CE :methyl 165:sc= -11.8! (180deg=-14.1!) USER MOD Single : A 32 HIS : no HD1:sc=-0.00676 X(o=-0.0068,f=-0.012) USER MOD Single : A 33 TYR OH : rot -149:sc= 0.062 USER MOD Single : A 36 GLN : amide:sc= -0.0228 X(o=-0.023,f=0) USER MOD Single : A 37 TYR OH : rot -135:sc= 0.148 USER MOD Single : A 39 MET CE :methyl -169:sc= -5.6! (180deg=-5.99!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN :FLIP amide:sc= -1.15 F(o=-2.6!,f=-1.2) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN :FLIP amide:sc= -1.52! C(o=-5!,f=-1.5!) USER MOD Single : A 47 GLN :FLIP amide:sc= -2.11! C(o=-4.2!,f=-2.1!) USER MOD Single : A 49 GLN : amide:sc= -0.0845 X(o=-0.084,f=-0.14) USER MOD Single : A 51 MET CE :methyl -168:sc= -2.13 (180deg=-2.89) USER MOD Single : A 53 TYR OH : rot 29:sc= 0.885 USER MOD Single : A 54 CYS SG : rot 66:sc= -3.2! USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0.0204 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl -148:sc= -1.47 (180deg=-3.53!) USER MOD Single : A 82 LYS NZ :NH3+ -161:sc= -1.2 (180deg=-1.79) USER MOD Single : A 83 ASN : amide:sc= -0.22 K(o=-0.22,f=-2.4!) USER MOD Single : B 120 SER OG : rot 180:sc= 0 USER MOD Single : B 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 37 N ASN A 3 7.594 -0.318 1.106 1.00 0.00 N ATOM 38 CA ASN A 3 8.039 -0.787 -0.202 1.00 0.00 C ATOM 39 C ASN A 3 9.558 -0.917 -0.245 1.00 0.00 C ATOM 40 O ASN A 3 10.279 0.061 -0.052 1.00 0.00 O ATOM 41 CB ASN A 3 7.566 0.169 -1.298 1.00 0.00 C ATOM 42 CG ASN A 3 6.928 -0.559 -2.465 1.00 0.00 C ATOM 43 OD1 ASN A 3 7.331 -0.385 -3.615 1.00 0.00 O ATOM 44 ND2 ASN A 3 5.927 -1.381 -2.174 1.00 0.00 N ATOM 0 HA ASN A 3 7.603 -1.771 -0.375 1.00 0.00 H new ATOM 0 HB2 ASN A 3 6.849 0.873 -0.877 1.00 0.00 H new ATOM 0 HB3 ASN A 3 8.413 0.753 -1.657 1.00 0.00 H new ATOM 0 HD21 ASN A 3 5.459 -1.899 -2.918 1.00 0.00 H new ATOM 0 HD22 ASN A 3 5.625 -1.495 -1.206 1.00 0.00 H new ATOM 51 N GLN A 4 10.036 -2.131 -0.499 1.00 0.00 N ATOM 52 CA GLN A 4 11.470 -2.388 -0.567 1.00 0.00 C ATOM 53 C GLN A 4 12.090 -1.697 -1.777 1.00 0.00 C ATOM 54 O GLN A 4 11.487 -1.641 -2.850 1.00 0.00 O ATOM 55 CB GLN A 4 11.737 -3.893 -0.632 1.00 0.00 C ATOM 56 CG GLN A 4 10.657 -4.731 0.033 1.00 0.00 C ATOM 57 CD GLN A 4 9.700 -5.349 -0.967 1.00 0.00 C ATOM 58 OE1 GLN A 4 8.437 -4.941 -0.908 1.00 0.00 O flip ATOM 59 NE2 GLN A 4 10.090 -6.184 -1.784 1.00 0.00 N flip ATOM 0 H GLN A 4 9.452 -2.951 -0.661 1.00 0.00 H new ATOM 0 HA GLN A 4 11.929 -1.983 0.335 1.00 0.00 H new ATOM 0 HB2 GLN A 4 11.827 -4.193 -1.676 1.00 0.00 H new ATOM 0 HB3 GLN A 4 12.694 -4.105 -0.156 1.00 0.00 H new ATOM 0 HG2 GLN A 4 11.125 -5.522 0.619 1.00 0.00 H new ATOM 0 HG3 GLN A 4 10.096 -4.108 0.730 1.00 0.00 H new ATOM 0 HE21 GLN A 4 11.069 -6.469 -1.794 1.00 0.00 H new ATOM 0 HE22 GLN A 4 9.434 -6.591 -2.450 1.00 0.00 H new ATOM 68 N VAL A 5 13.298 -1.172 -1.598 1.00 0.00 N ATOM 69 CA VAL A 5 14.000 -0.485 -2.675 1.00 0.00 C ATOM 70 C VAL A 5 15.461 -0.916 -2.742 1.00 0.00 C ATOM 71 O VAL A 5 15.948 -1.630 -1.865 1.00 0.00 O ATOM 72 CB VAL A 5 13.935 1.044 -2.503 1.00 0.00 C ATOM 73 CG1 VAL A 5 12.503 1.493 -2.251 1.00 0.00 C ATOM 74 CG2 VAL A 5 14.849 1.492 -1.373 1.00 0.00 C ATOM 0 H VAL A 5 13.811 -1.209 -0.717 1.00 0.00 H new ATOM 0 HA VAL A 5 13.500 -0.760 -3.604 1.00 0.00 H new ATOM 0 HB VAL A 5 14.280 1.511 -3.426 1.00 0.00 H new ATOM 0 HG11 VAL A 5 12.477 2.576 -2.132 1.00 0.00 H new ATOM 0 HG12 VAL A 5 11.878 1.206 -3.096 1.00 0.00 H new ATOM 0 HG13 VAL A 5 12.127 1.019 -1.344 1.00 0.00 H new ATOM 0 HG21 VAL A 5 14.791 2.575 -1.265 1.00 0.00 H new ATOM 0 HG22 VAL A 5 14.537 1.018 -0.443 1.00 0.00 H new ATOM 0 HG23 VAL A 5 15.876 1.205 -1.600 1.00 0.00 H new ATOM 84 N ARG A 6 16.155 -0.476 -3.786 1.00 0.00 N ATOM 85 CA ARG A 6 17.561 -0.816 -3.967 1.00 0.00 C ATOM 86 C ARG A 6 18.340 0.369 -4.528 1.00 0.00 C ATOM 87 O ARG A 6 18.560 0.484 -5.734 1.00 0.00 O ATOM 88 CB ARG A 6 17.700 -2.020 -4.901 1.00 0.00 C ATOM 89 CG ARG A 6 18.354 -3.226 -4.247 1.00 0.00 C ATOM 90 CD ARG A 6 18.411 -4.412 -5.197 1.00 0.00 C ATOM 91 NE ARG A 6 19.620 -5.209 -5.007 1.00 0.00 N ATOM 92 CZ ARG A 6 20.846 -4.746 -5.224 1.00 0.00 C ATOM 93 NH1 ARG A 6 21.024 -3.498 -5.636 1.00 0.00 N ATOM 94 NH2 ARG A 6 21.897 -5.532 -5.029 1.00 0.00 N ATOM 0 H ARG A 6 15.767 0.117 -4.520 1.00 0.00 H new ATOM 0 HA ARG A 6 17.975 -1.071 -2.992 1.00 0.00 H new ATOM 0 HB2 ARG A 6 16.712 -2.305 -5.262 1.00 0.00 H new ATOM 0 HB3 ARG A 6 18.286 -1.727 -5.772 1.00 0.00 H new ATOM 0 HG2 ARG A 6 19.363 -2.965 -3.928 1.00 0.00 H new ATOM 0 HG3 ARG A 6 17.797 -3.502 -3.351 1.00 0.00 H new ATOM 0 HD2 ARG A 6 17.534 -5.041 -5.044 1.00 0.00 H new ATOM 0 HD3 ARG A 6 18.371 -4.054 -6.226 1.00 0.00 H new ATOM 0 HE ARG A 6 19.517 -6.173 -4.691 1.00 0.00 H new ATOM 0 HH11 ARG A 6 20.218 -2.891 -5.787 1.00 0.00 H new ATOM 0 HH12 ARG A 6 21.967 -3.145 -5.802 1.00 0.00 H new ATOM 0 HH21 ARG A 6 21.764 -6.492 -4.712 1.00 0.00 H new ATOM 0 HH22 ARG A 6 22.838 -5.176 -5.196 1.00 0.00 H new ATOM 108 N PRO A 7 18.767 1.274 -3.635 1.00 0.00 N ATOM 109 CA PRO A 7 19.527 2.467 -4.018 1.00 0.00 C ATOM 110 C PRO A 7 20.936 2.129 -4.494 1.00 0.00 C ATOM 111 O PRO A 7 21.616 1.286 -3.908 1.00 0.00 O ATOM 112 CB PRO A 7 19.582 3.283 -2.724 1.00 0.00 C ATOM 113 CG PRO A 7 19.438 2.277 -1.635 1.00 0.00 C ATOM 114 CD PRO A 7 18.540 1.201 -2.182 1.00 0.00 C ATOM 0 HA PRO A 7 19.064 2.995 -4.852 1.00 0.00 H new ATOM 0 HB2 PRO A 7 20.523 3.827 -2.639 1.00 0.00 H new ATOM 0 HB3 PRO A 7 18.782 4.022 -2.688 1.00 0.00 H new ATOM 0 HG2 PRO A 7 20.408 1.869 -1.350 1.00 0.00 H new ATOM 0 HG3 PRO A 7 19.007 2.728 -0.741 1.00 0.00 H new ATOM 0 HD2 PRO A 7 18.799 0.220 -1.783 1.00 0.00 H new ATOM 0 HD3 PRO A 7 17.495 1.382 -1.929 1.00 0.00 H new ATOM 122 N LYS A 8 21.369 2.791 -5.562 1.00 0.00 N ATOM 123 CA LYS A 8 22.698 2.562 -6.117 1.00 0.00 C ATOM 124 C LYS A 8 23.751 3.361 -5.356 1.00 0.00 C ATOM 125 O LYS A 8 23.446 4.020 -4.361 1.00 0.00 O ATOM 126 CB LYS A 8 22.726 2.942 -7.599 1.00 0.00 C ATOM 127 CG LYS A 8 22.115 1.891 -8.509 1.00 0.00 C ATOM 128 CD LYS A 8 20.969 2.462 -9.329 1.00 0.00 C ATOM 129 CE LYS A 8 21.395 3.709 -10.088 1.00 0.00 C ATOM 130 NZ LYS A 8 20.739 3.796 -11.423 1.00 0.00 N ATOM 0 H LYS A 8 20.819 3.490 -6.060 1.00 0.00 H new ATOM 0 HA LYS A 8 22.929 1.502 -6.015 1.00 0.00 H new ATOM 0 HB2 LYS A 8 22.192 3.882 -7.734 1.00 0.00 H new ATOM 0 HB3 LYS A 8 23.759 3.116 -7.901 1.00 0.00 H new ATOM 0 HG2 LYS A 8 22.881 1.497 -9.177 1.00 0.00 H new ATOM 0 HG3 LYS A 8 21.754 1.055 -7.910 1.00 0.00 H new ATOM 0 HD2 LYS A 8 20.614 1.710 -10.033 1.00 0.00 H new ATOM 0 HD3 LYS A 8 20.134 2.703 -8.671 1.00 0.00 H new ATOM 0 HE2 LYS A 8 21.146 4.594 -9.502 1.00 0.00 H new ATOM 0 HE3 LYS A 8 22.478 3.705 -10.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 21.055 4.659 -11.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 20.997 2.964 -11.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 19.707 3.825 -11.301 1.00 0.00 H new ATOM 144 N LEU A 9 24.990 3.300 -5.830 1.00 0.00 N ATOM 145 CA LEU A 9 26.089 4.020 -5.194 1.00 0.00 C ATOM 146 C LEU A 9 25.687 5.456 -4.877 1.00 0.00 C ATOM 147 O LEU A 9 25.850 5.939 -3.756 1.00 0.00 O ATOM 148 CB LEU A 9 27.322 4.011 -6.100 1.00 0.00 C ATOM 149 CG LEU A 9 28.300 2.855 -5.891 1.00 0.00 C ATOM 150 CD1 LEU A 9 29.522 3.324 -5.116 1.00 0.00 C ATOM 151 CD2 LEU A 9 27.618 1.703 -5.169 1.00 0.00 C ATOM 0 H LEU A 9 25.260 2.760 -6.652 1.00 0.00 H new ATOM 0 HA LEU A 9 26.329 3.515 -4.259 1.00 0.00 H new ATOM 0 HB2 LEU A 9 26.986 3.993 -7.137 1.00 0.00 H new ATOM 0 HB3 LEU A 9 27.861 4.947 -5.955 1.00 0.00 H new ATOM 0 HG LEU A 9 28.628 2.501 -6.868 1.00 0.00 H new ATOM 0 HD11 LEU A 9 30.207 2.488 -4.977 1.00 0.00 H new ATOM 0 HD12 LEU A 9 30.024 4.116 -5.672 1.00 0.00 H new ATOM 0 HD13 LEU A 9 29.212 3.705 -4.143 1.00 0.00 H new ATOM 0 HD21 LEU A 9 28.329 0.889 -5.029 1.00 0.00 H new ATOM 0 HD22 LEU A 9 27.260 2.043 -4.197 1.00 0.00 H new ATOM 0 HD23 LEU A 9 26.775 1.350 -5.763 1.00 0.00 H new ATOM 163 N PRO A 10 25.147 6.157 -5.885 1.00 0.00 N ATOM 164 CA PRO A 10 24.707 7.547 -5.737 1.00 0.00 C ATOM 165 C PRO A 10 23.469 7.673 -4.856 1.00 0.00 C ATOM 166 O PRO A 10 23.197 8.738 -4.299 1.00 0.00 O ATOM 167 CB PRO A 10 24.389 7.974 -7.172 1.00 0.00 C ATOM 168 CG PRO A 10 24.064 6.704 -7.881 1.00 0.00 C ATOM 169 CD PRO A 10 24.923 5.645 -7.247 1.00 0.00 C ATOM 0 HA PRO A 10 25.464 8.164 -5.253 1.00 0.00 H new ATOM 0 HB2 PRO A 10 23.551 8.670 -7.202 1.00 0.00 H new ATOM 0 HB3 PRO A 10 25.238 8.479 -7.633 1.00 0.00 H new ATOM 0 HG2 PRO A 10 23.006 6.460 -7.781 1.00 0.00 H new ATOM 0 HG3 PRO A 10 24.272 6.788 -8.948 1.00 0.00 H new ATOM 0 HD2 PRO A 10 24.423 4.676 -7.235 1.00 0.00 H new ATOM 0 HD3 PRO A 10 25.861 5.513 -7.786 1.00 0.00 H new ATOM 177 N LEU A 11 22.722 6.582 -4.734 1.00 0.00 N ATOM 178 CA LEU A 11 21.512 6.570 -3.920 1.00 0.00 C ATOM 179 C LEU A 11 21.812 6.089 -2.504 1.00 0.00 C ATOM 180 O LEU A 11 21.027 6.311 -1.581 1.00 0.00 O ATOM 181 CB LEU A 11 20.451 5.673 -4.561 1.00 0.00 C ATOM 182 CG LEU A 11 20.169 5.921 -6.044 1.00 0.00 C ATOM 183 CD1 LEU A 11 18.882 5.229 -6.465 1.00 0.00 C ATOM 184 CD2 LEU A 11 20.094 7.413 -6.330 1.00 0.00 C ATOM 0 H LEU A 11 22.933 5.694 -5.189 1.00 0.00 H new ATOM 0 HA LEU A 11 21.132 7.590 -3.864 1.00 0.00 H new ATOM 0 HB2 LEU A 11 20.760 4.635 -4.439 1.00 0.00 H new ATOM 0 HB3 LEU A 11 19.519 5.795 -4.009 1.00 0.00 H new ATOM 0 HG LEU A 11 20.990 5.501 -6.626 1.00 0.00 H new ATOM 0 HD11 LEU A 11 18.697 5.416 -7.523 1.00 0.00 H new ATOM 0 HD12 LEU A 11 18.974 4.156 -6.297 1.00 0.00 H new ATOM 0 HD13 LEU A 11 18.051 5.618 -5.877 1.00 0.00 H new ATOM 0 HD21 LEU A 11 19.893 7.571 -7.390 1.00 0.00 H new ATOM 0 HD22 LEU A 11 19.293 7.857 -5.739 1.00 0.00 H new ATOM 0 HD23 LEU A 11 21.042 7.882 -6.067 1.00 0.00 H new ATOM 196 N LEU A 12 22.954 5.430 -2.339 1.00 0.00 N ATOM 197 CA LEU A 12 23.361 4.920 -1.034 1.00 0.00 C ATOM 198 C LEU A 12 23.892 6.044 -0.151 1.00 0.00 C ATOM 199 O LEU A 12 23.607 6.095 1.046 1.00 0.00 O ATOM 200 CB LEU A 12 24.429 3.837 -1.199 1.00 0.00 C ATOM 201 CG LEU A 12 24.705 2.974 0.032 1.00 0.00 C ATOM 202 CD1 LEU A 12 23.448 2.831 0.877 1.00 0.00 C ATOM 203 CD2 LEU A 12 25.230 1.607 -0.382 1.00 0.00 C ATOM 0 H LEU A 12 23.614 5.236 -3.092 1.00 0.00 H new ATOM 0 HA LEU A 12 22.485 4.487 -0.551 1.00 0.00 H new ATOM 0 HB2 LEU A 12 24.130 3.182 -2.018 1.00 0.00 H new ATOM 0 HB3 LEU A 12 25.361 4.317 -1.498 1.00 0.00 H new ATOM 0 HG LEU A 12 25.468 3.467 0.634 1.00 0.00 H new ATOM 0 HD11 LEU A 12 23.664 2.213 1.749 1.00 0.00 H new ATOM 0 HD12 LEU A 12 23.115 3.816 1.204 1.00 0.00 H new ATOM 0 HD13 LEU A 12 22.663 2.361 0.285 1.00 0.00 H new ATOM 0 HD21 LEU A 12 25.421 1.006 0.507 1.00 0.00 H new ATOM 0 HD22 LEU A 12 24.490 1.107 -1.006 1.00 0.00 H new ATOM 0 HD23 LEU A 12 26.156 1.728 -0.944 1.00 0.00 H new ATOM 215 N LYS A 13 24.663 6.945 -0.748 1.00 0.00 N ATOM 216 CA LYS A 13 25.231 8.072 -0.018 1.00 0.00 C ATOM 217 C LYS A 13 24.137 9.026 0.449 1.00 0.00 C ATOM 218 O LYS A 13 24.318 9.771 1.412 1.00 0.00 O ATOM 219 CB LYS A 13 26.236 8.822 -0.896 1.00 0.00 C ATOM 220 CG LYS A 13 25.763 9.022 -2.326 1.00 0.00 C ATOM 221 CD LYS A 13 25.805 10.487 -2.726 1.00 0.00 C ATOM 222 CE LYS A 13 26.217 10.656 -4.181 1.00 0.00 C ATOM 223 NZ LYS A 13 27.537 10.026 -4.459 1.00 0.00 N ATOM 0 H LYS A 13 24.910 6.917 -1.737 1.00 0.00 H new ATOM 0 HA LYS A 13 25.746 7.681 0.859 1.00 0.00 H new ATOM 0 HB2 LYS A 13 26.440 9.795 -0.450 1.00 0.00 H new ATOM 0 HB3 LYS A 13 27.177 8.273 -0.907 1.00 0.00 H new ATOM 0 HG2 LYS A 13 26.390 8.441 -3.002 1.00 0.00 H new ATOM 0 HG3 LYS A 13 24.746 8.644 -2.430 1.00 0.00 H new ATOM 0 HD2 LYS A 13 24.824 10.936 -2.570 1.00 0.00 H new ATOM 0 HD3 LYS A 13 26.506 11.021 -2.084 1.00 0.00 H new ATOM 0 HE2 LYS A 13 25.459 10.212 -4.827 1.00 0.00 H new ATOM 0 HE3 LYS A 13 26.262 11.717 -4.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 27.994 10.514 -5.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 28.141 10.100 -3.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 27.399 9.024 -4.700 1.00 0.00 H new ATOM 237 N ILE A 14 23.001 8.998 -0.240 1.00 0.00 N ATOM 238 CA ILE A 14 21.876 9.858 0.106 1.00 0.00 C ATOM 239 C ILE A 14 21.344 9.534 1.498 1.00 0.00 C ATOM 240 O ILE A 14 21.285 10.402 2.370 1.00 0.00 O ATOM 241 CB ILE A 14 20.730 9.725 -0.914 1.00 0.00 C ATOM 242 CG1 ILE A 14 21.262 9.901 -2.338 1.00 0.00 C ATOM 243 CG2 ILE A 14 19.639 10.743 -0.621 1.00 0.00 C ATOM 244 CD1 ILE A 14 21.604 11.334 -2.682 1.00 0.00 C ATOM 0 H ILE A 14 22.835 8.389 -1.041 1.00 0.00 H new ATOM 0 HA ILE A 14 22.247 10.883 0.091 1.00 0.00 H new ATOM 0 HB ILE A 14 20.301 8.727 -0.827 1.00 0.00 H new ATOM 0 HG12 ILE A 14 22.151 9.283 -2.464 1.00 0.00 H new ATOM 0 HG13 ILE A 14 20.517 9.534 -3.044 1.00 0.00 H new ATOM 0 HG21 ILE A 14 18.836 10.636 -1.351 1.00 0.00 H new ATOM 0 HG22 ILE A 14 19.244 10.575 0.381 1.00 0.00 H new ATOM 0 HG23 ILE A 14 20.054 11.749 -0.683 1.00 0.00 H new ATOM 0 HD11 ILE A 14 21.975 11.384 -3.706 1.00 0.00 H new ATOM 0 HD12 ILE A 14 20.712 11.953 -2.588 1.00 0.00 H new ATOM 0 HD13 ILE A 14 22.372 11.699 -2.000 1.00 0.00 H new ATOM 256 N LEU A 15 20.958 8.279 1.700 1.00 0.00 N ATOM 257 CA LEU A 15 20.432 7.838 2.987 1.00 0.00 C ATOM 258 C LEU A 15 21.541 7.761 4.031 1.00 0.00 C ATOM 259 O LEU A 15 21.335 8.100 5.197 1.00 0.00 O ATOM 260 CB LEU A 15 19.755 6.474 2.843 1.00 0.00 C ATOM 261 CG LEU A 15 18.718 6.353 1.726 1.00 0.00 C ATOM 262 CD1 LEU A 15 18.192 7.725 1.335 1.00 0.00 C ATOM 263 CD2 LEU A 15 19.315 5.645 0.518 1.00 0.00 C ATOM 0 H LEU A 15 20.999 7.549 0.989 1.00 0.00 H new ATOM 0 HA LEU A 15 19.695 8.569 3.320 1.00 0.00 H new ATOM 0 HB2 LEU A 15 20.528 5.723 2.677 1.00 0.00 H new ATOM 0 HB3 LEU A 15 19.271 6.230 3.789 1.00 0.00 H new ATOM 0 HG LEU A 15 17.883 5.758 2.095 1.00 0.00 H new ATOM 0 HD11 LEU A 15 17.455 7.619 0.539 1.00 0.00 H new ATOM 0 HD12 LEU A 15 17.726 8.196 2.200 1.00 0.00 H new ATOM 0 HD13 LEU A 15 19.017 8.345 0.985 1.00 0.00 H new ATOM 0 HD21 LEU A 15 18.563 5.568 -0.267 1.00 0.00 H new ATOM 0 HD22 LEU A 15 20.168 6.213 0.148 1.00 0.00 H new ATOM 0 HD23 LEU A 15 19.642 4.646 0.807 1.00 0.00 H new ATOM 275 N HIS A 16 22.718 7.315 3.605 1.00 0.00 N ATOM 276 CA HIS A 16 23.862 7.197 4.502 1.00 0.00 C ATOM 277 C HIS A 16 24.180 8.538 5.157 1.00 0.00 C ATOM 278 O HIS A 16 24.417 8.610 6.362 1.00 0.00 O ATOM 279 CB HIS A 16 25.084 6.685 3.741 1.00 0.00 C ATOM 280 CG HIS A 16 25.077 5.203 3.523 1.00 0.00 C ATOM 281 ND1 HIS A 16 26.208 4.485 3.196 1.00 0.00 N ATOM 282 CD2 HIS A 16 24.068 4.303 3.589 1.00 0.00 C ATOM 283 CE1 HIS A 16 25.894 3.208 3.069 1.00 0.00 C ATOM 284 NE2 HIS A 16 24.602 3.071 3.303 1.00 0.00 N ATOM 0 H HIS A 16 22.905 7.029 2.644 1.00 0.00 H new ATOM 0 HA HIS A 16 23.606 6.482 5.284 1.00 0.00 H new ATOM 0 HB2 HIS A 16 25.136 7.186 2.774 1.00 0.00 H new ATOM 0 HB3 HIS A 16 25.985 6.959 4.290 1.00 0.00 H new ATOM 0 HD1 HIS A 16 27.141 4.878 3.072 1.00 0.00 H new ATOM 0 HD2 HIS A 16 23.035 4.515 3.823 1.00 0.00 H new ATOM 0 HE1 HIS A 16 26.578 2.411 2.817 1.00 0.00 H new ATOM 292 N ALA A 17 24.185 9.596 4.353 1.00 0.00 N ATOM 293 CA ALA A 17 24.473 10.934 4.855 1.00 0.00 C ATOM 294 C ALA A 17 23.522 11.314 5.985 1.00 0.00 C ATOM 295 O ALA A 17 23.917 11.973 6.946 1.00 0.00 O ATOM 296 CB ALA A 17 24.386 11.951 3.726 1.00 0.00 C ATOM 0 H ALA A 17 23.993 9.553 3.352 1.00 0.00 H new ATOM 0 HA ALA A 17 25.487 10.935 5.254 1.00 0.00 H new ATOM 0 HB1 ALA A 17 24.603 12.946 4.115 1.00 0.00 H new ATOM 0 HB2 ALA A 17 25.110 11.698 2.952 1.00 0.00 H new ATOM 0 HB3 ALA A 17 23.382 11.939 3.302 1.00 0.00 H new ATOM 302 N ALA A 18 22.267 10.894 5.862 1.00 0.00 N ATOM 303 CA ALA A 18 21.261 11.189 6.874 1.00 0.00 C ATOM 304 C ALA A 18 21.433 10.294 8.097 1.00 0.00 C ATOM 305 O ALA A 18 20.866 10.558 9.156 1.00 0.00 O ATOM 306 CB ALA A 18 19.864 11.028 6.293 1.00 0.00 C ATOM 0 H ALA A 18 21.923 10.349 5.072 1.00 0.00 H new ATOM 0 HA ALA A 18 21.394 12.223 7.191 1.00 0.00 H new ATOM 0 HB1 ALA A 18 19.123 11.252 7.060 1.00 0.00 H new ATOM 0 HB2 ALA A 18 19.737 11.714 5.455 1.00 0.00 H new ATOM 0 HB3 ALA A 18 19.730 10.003 5.947 1.00 0.00 H new ATOM 312 N GLY A 19 22.220 9.234 7.943 1.00 0.00 N ATOM 313 CA GLY A 19 22.452 8.316 9.042 1.00 0.00 C ATOM 314 C GLY A 19 22.219 6.870 8.650 1.00 0.00 C ATOM 315 O GLY A 19 22.603 5.953 9.375 1.00 0.00 O ATOM 0 H GLY A 19 22.701 8.995 7.076 1.00 0.00 H new ATOM 0 HA2 GLY A 19 23.476 8.432 9.398 1.00 0.00 H new ATOM 0 HA3 GLY A 19 21.794 8.575 9.872 1.00 0.00 H new ATOM 319 N ALA A 20 21.585 6.666 7.499 1.00 0.00 N ATOM 320 CA ALA A 20 21.301 5.322 7.012 1.00 0.00 C ATOM 321 C ALA A 20 22.580 4.501 6.890 1.00 0.00 C ATOM 322 O ALA A 20 23.674 4.995 7.162 1.00 0.00 O ATOM 323 CB ALA A 20 20.584 5.387 5.672 1.00 0.00 C ATOM 0 H ALA A 20 21.259 7.414 6.887 1.00 0.00 H new ATOM 0 HA ALA A 20 20.652 4.830 7.736 1.00 0.00 H new ATOM 0 HB1 ALA A 20 20.378 4.376 5.320 1.00 0.00 H new ATOM 0 HB2 ALA A 20 19.646 5.929 5.787 1.00 0.00 H new ATOM 0 HB3 ALA A 20 21.214 5.902 4.947 1.00 0.00 H new ATOM 329 N GLN A 21 22.435 3.245 6.480 1.00 0.00 N ATOM 330 CA GLN A 21 23.580 2.355 6.324 1.00 0.00 C ATOM 331 C GLN A 21 23.130 0.955 5.920 1.00 0.00 C ATOM 332 O GLN A 21 22.384 0.298 6.646 1.00 0.00 O ATOM 333 CB GLN A 21 24.383 2.290 7.624 1.00 0.00 C ATOM 334 CG GLN A 21 25.888 2.322 7.411 1.00 0.00 C ATOM 335 CD GLN A 21 26.497 3.669 7.750 1.00 0.00 C ATOM 336 OE1 GLN A 21 26.145 4.690 6.978 1.00 0.00 O flip ATOM 337 NE2 GLN A 21 27.276 3.790 8.696 1.00 0.00 N flip ATOM 0 H GLN A 21 21.536 2.821 6.250 1.00 0.00 H new ATOM 0 HA GLN A 21 24.214 2.755 5.533 1.00 0.00 H new ATOM 0 HB2 GLN A 21 24.097 3.127 8.261 1.00 0.00 H new ATOM 0 HB3 GLN A 21 24.119 1.378 8.159 1.00 0.00 H new ATOM 0 HG2 GLN A 21 26.354 1.552 8.025 1.00 0.00 H new ATOM 0 HG3 GLN A 21 26.109 2.079 6.372 1.00 0.00 H new ATOM 0 HE21 GLN A 21 27.519 2.978 9.263 1.00 0.00 H new ATOM 0 HE22 GLN A 21 27.678 4.702 8.912 1.00 0.00 H new ATOM 346 N GLY A 22 23.589 0.503 4.757 1.00 0.00 N ATOM 347 CA GLY A 22 23.222 -0.816 4.277 1.00 0.00 C ATOM 348 C GLY A 22 23.126 -0.877 2.765 1.00 0.00 C ATOM 349 O GLY A 22 23.801 -0.124 2.063 1.00 0.00 O ATOM 0 H GLY A 22 24.208 1.027 4.139 1.00 0.00 H new ATOM 0 HA2 GLY A 22 23.959 -1.542 4.621 1.00 0.00 H new ATOM 0 HA3 GLY A 22 22.264 -1.104 4.711 1.00 0.00 H new ATOM 353 N GLU A 23 22.286 -1.777 2.263 1.00 0.00 N ATOM 354 CA GLU A 23 22.107 -1.934 0.824 1.00 0.00 C ATOM 355 C GLU A 23 20.627 -1.899 0.453 1.00 0.00 C ATOM 356 O GLU A 23 20.246 -1.328 -0.568 1.00 0.00 O ATOM 357 CB GLU A 23 22.731 -3.248 0.350 1.00 0.00 C ATOM 358 CG GLU A 23 23.731 -3.073 -0.780 1.00 0.00 C ATOM 359 CD GLU A 23 23.062 -2.837 -2.120 1.00 0.00 C ATOM 360 OE1 GLU A 23 22.595 -3.821 -2.731 1.00 0.00 O ATOM 361 OE2 GLU A 23 23.005 -1.669 -2.558 1.00 0.00 O ATOM 0 H GLU A 23 21.720 -2.408 2.830 1.00 0.00 H new ATOM 0 HA GLU A 23 22.608 -1.102 0.329 1.00 0.00 H new ATOM 0 HB2 GLU A 23 23.228 -3.729 1.192 1.00 0.00 H new ATOM 0 HB3 GLU A 23 21.938 -3.920 0.021 1.00 0.00 H new ATOM 0 HG2 GLU A 23 24.387 -2.233 -0.553 1.00 0.00 H new ATOM 0 HG3 GLU A 23 24.360 -3.961 -0.844 1.00 0.00 H new ATOM 368 N MET A 24 19.798 -2.514 1.291 1.00 0.00 N ATOM 369 CA MET A 24 18.360 -2.553 1.052 1.00 0.00 C ATOM 370 C MET A 24 17.616 -1.696 2.072 1.00 0.00 C ATOM 371 O MET A 24 18.084 -1.503 3.194 1.00 0.00 O ATOM 372 CB MET A 24 17.851 -3.994 1.111 1.00 0.00 C ATOM 373 CG MET A 24 18.959 -5.033 1.055 1.00 0.00 C ATOM 374 SD MET A 24 19.654 -5.395 2.679 1.00 0.00 S ATOM 375 CE MET A 24 21.358 -5.738 2.250 1.00 0.00 C ATOM 0 H MET A 24 20.098 -2.992 2.141 1.00 0.00 H new ATOM 0 HA MET A 24 18.171 -2.149 0.057 1.00 0.00 H new ATOM 0 HB2 MET A 24 17.281 -4.132 2.030 1.00 0.00 H new ATOM 0 HB3 MET A 24 17.164 -4.162 0.282 1.00 0.00 H new ATOM 0 HG2 MET A 24 18.568 -5.952 0.618 1.00 0.00 H new ATOM 0 HG3 MET A 24 19.751 -4.678 0.396 1.00 0.00 H new ATOM 0 HE1 MET A 24 21.671 -6.671 2.720 1.00 0.00 H new ATOM 0 HE2 MET A 24 21.450 -5.828 1.168 1.00 0.00 H new ATOM 0 HE3 MET A 24 21.992 -4.924 2.601 1.00 0.00 H new ATOM 385 N PHE A 25 16.456 -1.185 1.674 1.00 0.00 N ATOM 386 CA PHE A 25 15.648 -0.348 2.553 1.00 0.00 C ATOM 387 C PHE A 25 14.210 -0.258 2.049 1.00 0.00 C ATOM 388 O PHE A 25 13.945 -0.428 0.859 1.00 0.00 O ATOM 389 CB PHE A 25 16.253 1.054 2.656 1.00 0.00 C ATOM 390 CG PHE A 25 17.681 1.058 3.121 1.00 0.00 C ATOM 391 CD1 PHE A 25 17.982 1.113 4.473 1.00 0.00 C ATOM 392 CD2 PHE A 25 18.721 1.007 2.208 1.00 0.00 C ATOM 393 CE1 PHE A 25 19.295 1.117 4.905 1.00 0.00 C ATOM 394 CE2 PHE A 25 20.036 1.010 2.634 1.00 0.00 C ATOM 395 CZ PHE A 25 20.323 1.066 3.984 1.00 0.00 C ATOM 0 H PHE A 25 16.054 -1.336 0.749 1.00 0.00 H new ATOM 0 HA PHE A 25 15.640 -0.806 3.542 1.00 0.00 H new ATOM 0 HB2 PHE A 25 16.195 1.538 1.681 1.00 0.00 H new ATOM 0 HB3 PHE A 25 15.654 1.650 3.344 1.00 0.00 H new ATOM 0 HD1 PHE A 25 17.182 1.153 5.197 1.00 0.00 H new ATOM 0 HD2 PHE A 25 18.502 0.964 1.151 1.00 0.00 H new ATOM 0 HE1 PHE A 25 19.517 1.160 5.961 1.00 0.00 H new ATOM 0 HE2 PHE A 25 20.838 0.969 1.912 1.00 0.00 H new ATOM 0 HZ PHE A 25 21.350 1.070 4.319 1.00 0.00 H new ATOM 405 N THR A 26 13.284 0.010 2.965 1.00 0.00 N ATOM 406 CA THR A 26 11.874 0.120 2.615 1.00 0.00 C ATOM 407 C THR A 26 11.473 1.575 2.400 1.00 0.00 C ATOM 408 O THR A 26 12.163 2.492 2.845 1.00 0.00 O ATOM 409 CB THR A 26 10.975 -0.492 3.706 1.00 0.00 C ATOM 410 OG1 THR A 26 11.691 -0.571 4.944 1.00 0.00 O ATOM 411 CG2 THR A 26 10.500 -1.879 3.300 1.00 0.00 C ATOM 0 H THR A 26 13.486 0.155 3.954 1.00 0.00 H new ATOM 0 HA THR A 26 11.735 -0.434 1.687 1.00 0.00 H new ATOM 0 HB THR A 26 10.104 0.151 3.831 1.00 0.00 H new ATOM 0 HG1 THR A 26 11.615 0.282 5.421 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.867 -2.291 4.086 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.931 -1.812 2.373 1.00 0.00 H new ATOM 0 HG23 THR A 26 11.362 -2.529 3.150 1.00 0.00 H new ATOM 419 N VAL A 27 10.352 1.781 1.716 1.00 0.00 N ATOM 420 CA VAL A 27 9.858 3.125 1.443 1.00 0.00 C ATOM 421 C VAL A 27 9.865 3.980 2.706 1.00 0.00 C ATOM 422 O VAL A 27 10.186 5.168 2.663 1.00 0.00 O ATOM 423 CB VAL A 27 8.430 3.092 0.867 1.00 0.00 C ATOM 424 CG1 VAL A 27 7.412 2.865 1.974 1.00 0.00 C ATOM 425 CG2 VAL A 27 8.131 4.379 0.112 1.00 0.00 C ATOM 0 H VAL A 27 9.769 1.033 1.341 1.00 0.00 H new ATOM 0 HA VAL A 27 10.529 3.565 0.706 1.00 0.00 H new ATOM 0 HB VAL A 27 8.359 2.261 0.166 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.409 2.845 1.547 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.616 1.914 2.467 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.480 3.673 2.702 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.118 4.339 -0.288 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.220 5.228 0.790 1.00 0.00 H new ATOM 0 HG23 VAL A 27 8.841 4.493 -0.707 1.00 0.00 H new ATOM 435 N LYS A 28 9.511 3.367 3.830 1.00 0.00 N ATOM 436 CA LYS A 28 9.477 4.069 5.107 1.00 0.00 C ATOM 437 C LYS A 28 10.866 4.573 5.488 1.00 0.00 C ATOM 438 O LYS A 28 11.028 5.720 5.903 1.00 0.00 O ATOM 439 CB LYS A 28 8.938 3.149 6.205 1.00 0.00 C ATOM 440 CG LYS A 28 7.673 3.667 6.865 1.00 0.00 C ATOM 441 CD LYS A 28 6.837 2.534 7.436 1.00 0.00 C ATOM 442 CE LYS A 28 7.708 1.476 8.094 1.00 0.00 C ATOM 443 NZ LYS A 28 6.894 0.421 8.759 1.00 0.00 N ATOM 0 H LYS A 28 9.243 2.384 3.882 1.00 0.00 H new ATOM 0 HA LYS A 28 8.814 4.928 5.003 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.739 2.166 5.778 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.707 3.016 6.966 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.936 4.363 7.661 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.084 4.224 6.137 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.133 2.932 8.166 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.248 2.078 6.640 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.352 1.018 7.343 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.360 1.948 8.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.525 -0.281 9.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.298 0.854 9.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.290 -0.048 8.054 1.00 0.00 H new ATOM 457 N GLU A 29 11.865 3.707 5.342 1.00 0.00 N ATOM 458 CA GLU A 29 13.240 4.066 5.670 1.00 0.00 C ATOM 459 C GLU A 29 13.740 5.189 4.766 1.00 0.00 C ATOM 460 O GLU A 29 14.211 6.222 5.242 1.00 0.00 O ATOM 461 CB GLU A 29 14.154 2.846 5.540 1.00 0.00 C ATOM 462 CG GLU A 29 14.371 2.106 6.849 1.00 0.00 C ATOM 463 CD GLU A 29 13.080 1.877 7.611 1.00 0.00 C ATOM 464 OE1 GLU A 29 12.151 1.274 7.035 1.00 0.00 O ATOM 465 OE2 GLU A 29 12.999 2.302 8.783 1.00 0.00 O ATOM 0 H GLU A 29 11.748 2.753 4.999 1.00 0.00 H new ATOM 0 HA GLU A 29 13.260 4.418 6.702 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.727 2.158 4.810 1.00 0.00 H new ATOM 0 HB3 GLU A 29 15.120 3.166 5.149 1.00 0.00 H new ATOM 0 HG2 GLU A 29 14.843 1.145 6.645 1.00 0.00 H new ATOM 0 HG3 GLU A 29 15.061 2.674 7.473 1.00 0.00 H new ATOM 472 N VAL A 30 13.635 4.978 3.457 1.00 0.00 N ATOM 473 CA VAL A 30 14.075 5.971 2.485 1.00 0.00 C ATOM 474 C VAL A 30 13.452 7.333 2.770 1.00 0.00 C ATOM 475 O VAL A 30 14.133 8.357 2.735 1.00 0.00 O ATOM 476 CB VAL A 30 13.719 5.546 1.048 1.00 0.00 C ATOM 477 CG1 VAL A 30 14.308 6.522 0.041 1.00 0.00 C ATOM 478 CG2 VAL A 30 14.203 4.130 0.776 1.00 0.00 C ATOM 0 H VAL A 30 13.249 4.128 3.046 1.00 0.00 H new ATOM 0 HA VAL A 30 15.159 6.044 2.576 1.00 0.00 H new ATOM 0 HB VAL A 30 12.634 5.562 0.941 1.00 0.00 H new ATOM 0 HG11 VAL A 30 14.046 6.205 -0.969 1.00 0.00 H new ATOM 0 HG12 VAL A 30 13.908 7.519 0.224 1.00 0.00 H new ATOM 0 HG13 VAL A 30 15.393 6.542 0.145 1.00 0.00 H new ATOM 0 HG21 VAL A 30 13.943 3.846 -0.244 1.00 0.00 H new ATOM 0 HG22 VAL A 30 15.285 4.085 0.900 1.00 0.00 H new ATOM 0 HG23 VAL A 30 13.728 3.442 1.476 1.00 0.00 H new ATOM 488 N MET A 31 12.153 7.336 3.051 1.00 0.00 N ATOM 489 CA MET A 31 11.438 8.573 3.344 1.00 0.00 C ATOM 490 C MET A 31 11.977 9.225 4.614 1.00 0.00 C ATOM 491 O MET A 31 12.122 10.446 4.683 1.00 0.00 O ATOM 492 CB MET A 31 9.941 8.298 3.494 1.00 0.00 C ATOM 493 CG MET A 31 9.373 8.739 4.833 1.00 0.00 C ATOM 494 SD MET A 31 9.356 10.532 5.024 1.00 0.00 S ATOM 495 CE MET A 31 9.317 11.054 3.311 1.00 0.00 C ATOM 0 H MET A 31 11.574 6.497 3.082 1.00 0.00 H new ATOM 0 HA MET A 31 11.593 9.259 2.511 1.00 0.00 H new ATOM 0 HB2 MET A 31 9.404 8.809 2.695 1.00 0.00 H new ATOM 0 HB3 MET A 31 9.762 7.230 3.366 1.00 0.00 H new ATOM 0 HG2 MET A 31 8.357 8.357 4.936 1.00 0.00 H new ATOM 0 HG3 MET A 31 9.963 8.298 5.636 1.00 0.00 H new ATOM 0 HE1 MET A 31 9.038 12.106 3.258 1.00 0.00 H new ATOM 0 HE2 MET A 31 10.303 10.917 2.866 1.00 0.00 H new ATOM 0 HE3 MET A 31 8.587 10.457 2.765 1.00 0.00 H new ATOM 505 N HIS A 32 12.271 8.403 5.617 1.00 0.00 N ATOM 506 CA HIS A 32 12.794 8.900 6.884 1.00 0.00 C ATOM 507 C HIS A 32 14.197 9.473 6.706 1.00 0.00 C ATOM 508 O HIS A 32 14.609 10.372 7.440 1.00 0.00 O ATOM 509 CB HIS A 32 12.816 7.781 7.925 1.00 0.00 C ATOM 510 CG HIS A 32 12.643 8.267 9.331 1.00 0.00 C ATOM 511 ND1 HIS A 32 11.656 7.800 10.173 1.00 0.00 N ATOM 512 CD2 HIS A 32 13.340 9.184 10.043 1.00 0.00 C ATOM 513 CE1 HIS A 32 11.752 8.410 11.341 1.00 0.00 C ATOM 514 NE2 HIS A 32 12.766 9.254 11.289 1.00 0.00 N ATOM 0 H HIS A 32 12.156 7.390 5.576 1.00 0.00 H new ATOM 0 HA HIS A 32 12.137 9.697 7.232 1.00 0.00 H new ATOM 0 HB2 HIS A 32 12.024 7.067 7.696 1.00 0.00 H new ATOM 0 HB3 HIS A 32 13.761 7.244 7.849 1.00 0.00 H new ATOM 0 HD2 HIS A 32 14.189 9.754 9.696 1.00 0.00 H new ATOM 0 HE1 HIS A 32 11.110 8.246 12.194 1.00 0.00 H new ATOM 0 HE2 HIS A 32 13.073 9.859 12.050 1.00 0.00 H new ATOM 522 N TYR A 33 14.925 8.947 5.728 1.00 0.00 N ATOM 523 CA TYR A 33 16.283 9.404 5.455 1.00 0.00 C ATOM 524 C TYR A 33 16.272 10.762 4.760 1.00 0.00 C ATOM 525 O TYR A 33 17.061 11.648 5.089 1.00 0.00 O ATOM 526 CB TYR A 33 17.023 8.382 4.591 1.00 0.00 C ATOM 527 CG TYR A 33 17.358 7.101 5.321 1.00 0.00 C ATOM 528 CD1 TYR A 33 17.880 7.128 6.609 1.00 0.00 C ATOM 529 CD2 TYR A 33 17.153 5.864 4.724 1.00 0.00 C ATOM 530 CE1 TYR A 33 18.188 5.960 7.280 1.00 0.00 C ATOM 531 CE2 TYR A 33 17.457 4.691 5.388 1.00 0.00 C ATOM 532 CZ TYR A 33 17.974 4.744 6.665 1.00 0.00 C ATOM 533 OH TYR A 33 18.279 3.578 7.329 1.00 0.00 O ATOM 0 H TYR A 33 14.598 8.204 5.111 1.00 0.00 H new ATOM 0 HA TYR A 33 16.802 9.509 6.408 1.00 0.00 H new ATOM 0 HB2 TYR A 33 16.412 8.145 3.720 1.00 0.00 H new ATOM 0 HB3 TYR A 33 17.945 8.831 4.221 1.00 0.00 H new ATOM 0 HD1 TYR A 33 18.048 8.078 7.094 1.00 0.00 H new ATOM 0 HD2 TYR A 33 16.749 5.818 3.723 1.00 0.00 H new ATOM 0 HE1 TYR A 33 18.594 5.999 8.280 1.00 0.00 H new ATOM 0 HE2 TYR A 33 17.290 3.737 4.909 1.00 0.00 H new ATOM 0 HH TYR A 33 18.542 2.892 6.681 1.00 0.00 H new ATOM 543 N LEU A 34 15.370 10.918 3.796 1.00 0.00 N ATOM 544 CA LEU A 34 15.254 12.168 3.053 1.00 0.00 C ATOM 545 C LEU A 34 15.174 13.360 4.001 1.00 0.00 C ATOM 546 O LEU A 34 15.975 14.290 3.915 1.00 0.00 O ATOM 547 CB LEU A 34 14.018 12.135 2.152 1.00 0.00 C ATOM 548 CG LEU A 34 14.285 12.000 0.652 1.00 0.00 C ATOM 549 CD1 LEU A 34 15.194 13.120 0.169 1.00 0.00 C ATOM 550 CD2 LEU A 34 14.896 10.642 0.339 1.00 0.00 C ATOM 0 H LEU A 34 14.709 10.195 3.511 1.00 0.00 H new ATOM 0 HA LEU A 34 16.145 12.279 2.435 1.00 0.00 H new ATOM 0 HB2 LEU A 34 13.387 11.303 2.465 1.00 0.00 H new ATOM 0 HB3 LEU A 34 13.447 13.048 2.318 1.00 0.00 H new ATOM 0 HG LEU A 34 13.334 12.078 0.125 1.00 0.00 H new ATOM 0 HD11 LEU A 34 15.373 13.008 -0.900 1.00 0.00 H new ATOM 0 HD12 LEU A 34 14.718 14.082 0.358 1.00 0.00 H new ATOM 0 HD13 LEU A 34 16.143 13.074 0.703 1.00 0.00 H new ATOM 0 HD21 LEU A 34 15.079 10.564 -0.733 1.00 0.00 H new ATOM 0 HD22 LEU A 34 15.838 10.534 0.877 1.00 0.00 H new ATOM 0 HD23 LEU A 34 14.209 9.854 0.648 1.00 0.00 H new ATOM 562 N GLY A 35 14.202 13.324 4.908 1.00 0.00 N ATOM 563 CA GLY A 35 14.036 14.406 5.861 1.00 0.00 C ATOM 564 C GLY A 35 15.314 14.714 6.616 1.00 0.00 C ATOM 565 O GLY A 35 15.705 15.875 6.738 1.00 0.00 O ATOM 0 H GLY A 35 13.527 12.565 5.000 1.00 0.00 H new ATOM 0 HA2 GLY A 35 13.703 15.301 5.336 1.00 0.00 H new ATOM 0 HA3 GLY A 35 13.252 14.143 6.571 1.00 0.00 H new ATOM 569 N GLN A 36 15.965 13.673 7.124 1.00 0.00 N ATOM 570 CA GLN A 36 17.205 13.839 7.873 1.00 0.00 C ATOM 571 C GLN A 36 18.266 14.531 7.024 1.00 0.00 C ATOM 572 O GLN A 36 18.940 15.453 7.484 1.00 0.00 O ATOM 573 CB GLN A 36 17.723 12.482 8.351 1.00 0.00 C ATOM 574 CG GLN A 36 16.857 11.844 9.425 1.00 0.00 C ATOM 575 CD GLN A 36 17.669 11.310 10.589 1.00 0.00 C ATOM 576 OE1 GLN A 36 17.703 10.104 10.836 1.00 0.00 O ATOM 577 NE2 GLN A 36 18.329 12.208 11.311 1.00 0.00 N ATOM 0 H GLN A 36 15.655 12.706 7.031 1.00 0.00 H new ATOM 0 HA GLN A 36 16.994 14.465 8.740 1.00 0.00 H new ATOM 0 HB2 GLN A 36 17.787 11.806 7.498 1.00 0.00 H new ATOM 0 HB3 GLN A 36 18.735 12.604 8.737 1.00 0.00 H new ATOM 0 HG2 GLN A 36 16.141 12.579 9.793 1.00 0.00 H new ATOM 0 HG3 GLN A 36 16.281 11.030 8.985 1.00 0.00 H new ATOM 0 HE21 GLN A 36 18.272 13.198 11.070 1.00 0.00 H new ATOM 0 HE22 GLN A 36 18.893 11.908 12.106 1.00 0.00 H new ATOM 586 N TYR A 37 18.408 14.081 5.782 1.00 0.00 N ATOM 587 CA TYR A 37 19.389 14.655 4.869 1.00 0.00 C ATOM 588 C TYR A 37 19.149 16.150 4.681 1.00 0.00 C ATOM 589 O TYR A 37 20.083 16.951 4.733 1.00 0.00 O ATOM 590 CB TYR A 37 19.335 13.944 3.516 1.00 0.00 C ATOM 591 CG TYR A 37 20.383 14.422 2.537 1.00 0.00 C ATOM 592 CD1 TYR A 37 21.730 14.150 2.744 1.00 0.00 C ATOM 593 CD2 TYR A 37 20.027 15.146 1.406 1.00 0.00 C ATOM 594 CE1 TYR A 37 22.692 14.586 1.853 1.00 0.00 C ATOM 595 CE2 TYR A 37 20.982 15.584 0.509 1.00 0.00 C ATOM 596 CZ TYR A 37 22.313 15.302 0.737 1.00 0.00 C ATOM 597 OH TYR A 37 23.267 15.737 -0.154 1.00 0.00 O ATOM 0 H TYR A 37 17.856 13.321 5.385 1.00 0.00 H new ATOM 0 HA TYR A 37 20.378 14.516 5.305 1.00 0.00 H new ATOM 0 HB2 TYR A 37 19.459 12.873 3.673 1.00 0.00 H new ATOM 0 HB3 TYR A 37 18.348 14.090 3.078 1.00 0.00 H new ATOM 0 HD1 TYR A 37 22.030 13.588 3.616 1.00 0.00 H new ATOM 0 HD2 TYR A 37 18.986 15.370 1.225 1.00 0.00 H new ATOM 0 HE1 TYR A 37 23.735 14.367 2.030 1.00 0.00 H new ATOM 0 HE2 TYR A 37 20.688 16.144 -0.366 1.00 0.00 H new ATOM 0 HH TYR A 37 23.086 16.669 -0.398 1.00 0.00 H new ATOM 607 N ILE A 38 17.891 16.517 4.461 1.00 0.00 N ATOM 608 CA ILE A 38 17.527 17.915 4.267 1.00 0.00 C ATOM 609 C ILE A 38 17.909 18.756 5.480 1.00 0.00 C ATOM 610 O ILE A 38 18.562 19.792 5.349 1.00 0.00 O ATOM 611 CB ILE A 38 16.018 18.072 4.002 1.00 0.00 C ATOM 612 CG1 ILE A 38 15.647 17.452 2.654 1.00 0.00 C ATOM 613 CG2 ILE A 38 15.623 19.540 4.043 1.00 0.00 C ATOM 614 CD1 ILE A 38 14.160 17.234 2.477 1.00 0.00 C ATOM 0 H ILE A 38 17.107 15.866 4.413 1.00 0.00 H new ATOM 0 HA ILE A 38 18.079 18.267 3.396 1.00 0.00 H new ATOM 0 HB ILE A 38 15.470 17.547 4.785 1.00 0.00 H new ATOM 0 HG12 ILE A 38 16.009 18.098 1.854 1.00 0.00 H new ATOM 0 HG13 ILE A 38 16.161 16.497 2.549 1.00 0.00 H new ATOM 0 HG21 ILE A 38 14.554 19.634 3.854 1.00 0.00 H new ATOM 0 HG22 ILE A 38 15.856 19.952 5.025 1.00 0.00 H new ATOM 0 HG23 ILE A 38 16.176 20.087 3.280 1.00 0.00 H new ATOM 0 HD11 ILE A 38 13.971 16.792 1.499 1.00 0.00 H new ATOM 0 HD12 ILE A 38 13.795 16.563 3.255 1.00 0.00 H new ATOM 0 HD13 ILE A 38 13.641 18.190 2.549 1.00 0.00 H new ATOM 626 N MET A 39 17.500 18.303 6.660 1.00 0.00 N ATOM 627 CA MET A 39 17.803 19.013 7.897 1.00 0.00 C ATOM 628 C MET A 39 19.304 19.019 8.168 1.00 0.00 C ATOM 629 O MET A 39 19.816 19.897 8.862 1.00 0.00 O ATOM 630 CB MET A 39 17.063 18.371 9.073 1.00 0.00 C ATOM 631 CG MET A 39 17.768 17.149 9.640 1.00 0.00 C ATOM 632 SD MET A 39 18.307 17.386 11.344 1.00 0.00 S ATOM 633 CE MET A 39 19.652 18.547 11.115 1.00 0.00 C ATOM 0 H MET A 39 16.958 17.448 6.786 1.00 0.00 H new ATOM 0 HA MET A 39 17.468 20.044 7.785 1.00 0.00 H new ATOM 0 HB2 MET A 39 16.943 19.111 9.864 1.00 0.00 H new ATOM 0 HB3 MET A 39 16.062 18.086 8.750 1.00 0.00 H new ATOM 0 HG2 MET A 39 17.096 16.292 9.591 1.00 0.00 H new ATOM 0 HG3 MET A 39 18.632 16.912 9.019 1.00 0.00 H new ATOM 0 HE1 MET A 39 20.212 18.643 12.045 1.00 0.00 H new ATOM 0 HE2 MET A 39 20.314 18.186 10.328 1.00 0.00 H new ATOM 0 HE3 MET A 39 19.249 19.520 10.832 1.00 0.00 H new ATOM 643 N VAL A 40 20.004 18.033 7.616 1.00 0.00 N ATOM 644 CA VAL A 40 21.446 17.925 7.797 1.00 0.00 C ATOM 645 C VAL A 40 22.189 18.887 6.876 1.00 0.00 C ATOM 646 O VAL A 40 23.201 19.474 7.259 1.00 0.00 O ATOM 647 CB VAL A 40 21.940 16.491 7.529 1.00 0.00 C ATOM 648 CG1 VAL A 40 22.763 16.439 6.251 1.00 0.00 C ATOM 649 CG2 VAL A 40 22.745 15.975 8.712 1.00 0.00 C ATOM 0 H VAL A 40 19.595 17.297 7.040 1.00 0.00 H new ATOM 0 HA VAL A 40 21.655 18.185 8.835 1.00 0.00 H new ATOM 0 HB VAL A 40 21.072 15.845 7.400 1.00 0.00 H new ATOM 0 HG11 VAL A 40 23.103 15.418 6.079 1.00 0.00 H new ATOM 0 HG12 VAL A 40 22.150 16.764 5.410 1.00 0.00 H new ATOM 0 HG13 VAL A 40 23.626 17.098 6.347 1.00 0.00 H new ATOM 0 HG21 VAL A 40 23.086 14.961 8.505 1.00 0.00 H new ATOM 0 HG22 VAL A 40 23.607 16.622 8.875 1.00 0.00 H new ATOM 0 HG23 VAL A 40 22.119 15.973 9.605 1.00 0.00 H new ATOM 659 N LYS A 41 21.680 19.044 5.659 1.00 0.00 N ATOM 660 CA LYS A 41 22.293 19.936 4.682 1.00 0.00 C ATOM 661 C LYS A 41 21.621 21.306 4.698 1.00 0.00 C ATOM 662 O LYS A 41 22.018 22.210 3.965 1.00 0.00 O ATOM 663 CB LYS A 41 22.204 19.329 3.280 1.00 0.00 C ATOM 664 CG LYS A 41 23.367 18.414 2.939 1.00 0.00 C ATOM 665 CD LYS A 41 24.703 19.095 3.180 1.00 0.00 C ATOM 666 CE LYS A 41 25.280 18.727 4.539 1.00 0.00 C ATOM 667 NZ LYS A 41 26.253 17.604 4.442 1.00 0.00 N ATOM 0 H LYS A 41 20.844 18.565 5.325 1.00 0.00 H new ATOM 0 HA LYS A 41 23.342 20.062 4.951 1.00 0.00 H new ATOM 0 HB2 LYS A 41 21.274 18.768 3.195 1.00 0.00 H new ATOM 0 HB3 LYS A 41 22.159 20.134 2.547 1.00 0.00 H new ATOM 0 HG2 LYS A 41 23.306 17.507 3.541 1.00 0.00 H new ATOM 0 HG3 LYS A 41 23.297 18.109 1.895 1.00 0.00 H new ATOM 0 HD2 LYS A 41 25.405 18.809 2.396 1.00 0.00 H new ATOM 0 HD3 LYS A 41 24.578 20.176 3.117 1.00 0.00 H new ATOM 0 HE2 LYS A 41 25.772 19.598 4.973 1.00 0.00 H new ATOM 0 HE3 LYS A 41 24.471 18.449 5.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 26.624 17.383 5.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 25.777 16.765 4.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 27.038 17.878 3.818 1.00 0.00 H new ATOM 681 N GLN A 42 20.602 21.450 5.540 1.00 0.00 N ATOM 682 CA GLN A 42 19.876 22.709 5.651 1.00 0.00 C ATOM 683 C GLN A 42 19.159 23.041 4.347 1.00 0.00 C ATOM 684 O GLN A 42 19.043 24.208 3.970 1.00 0.00 O ATOM 685 CB GLN A 42 20.834 23.843 6.024 1.00 0.00 C ATOM 686 CG GLN A 42 21.974 23.404 6.928 1.00 0.00 C ATOM 687 CD GLN A 42 21.492 22.907 8.277 1.00 0.00 C ATOM 688 OE1 GLN A 42 21.549 21.597 8.481 1.00 0.00 O flip ATOM 689 NE2 GLN A 42 21.071 23.694 9.126 1.00 0.00 N flip ATOM 0 H GLN A 42 20.261 20.711 6.155 1.00 0.00 H new ATOM 0 HA GLN A 42 19.129 22.601 6.437 1.00 0.00 H new ATOM 0 HB2 GLN A 42 21.249 24.271 5.112 1.00 0.00 H new ATOM 0 HB3 GLN A 42 20.272 24.634 6.520 1.00 0.00 H new ATOM 0 HG2 GLN A 42 22.540 22.613 6.435 1.00 0.00 H new ATOM 0 HG3 GLN A 42 22.657 24.240 7.076 1.00 0.00 H new ATOM 0 HE21 GLN A 42 21.045 24.694 8.926 1.00 0.00 H new ATOM 0 HE22 GLN A 42 20.748 23.346 10.029 1.00 0.00 H new ATOM 698 N LEU A 43 18.680 22.009 3.662 1.00 0.00 N ATOM 699 CA LEU A 43 17.974 22.191 2.398 1.00 0.00 C ATOM 700 C LEU A 43 16.485 22.421 2.635 1.00 0.00 C ATOM 701 O LEU A 43 15.644 21.940 1.875 1.00 0.00 O ATOM 702 CB LEU A 43 18.177 20.971 1.498 1.00 0.00 C ATOM 703 CG LEU A 43 19.535 20.278 1.603 1.00 0.00 C ATOM 704 CD1 LEU A 43 19.509 18.940 0.880 1.00 0.00 C ATOM 705 CD2 LEU A 43 20.634 21.169 1.041 1.00 0.00 C ATOM 0 H LEU A 43 18.767 21.037 3.960 1.00 0.00 H new ATOM 0 HA LEU A 43 18.385 23.071 1.904 1.00 0.00 H new ATOM 0 HB2 LEU A 43 17.401 20.241 1.728 1.00 0.00 H new ATOM 0 HB3 LEU A 43 18.028 21.279 0.463 1.00 0.00 H new ATOM 0 HG LEU A 43 19.747 20.094 2.656 1.00 0.00 H new ATOM 0 HD11 LEU A 43 20.484 18.461 0.966 1.00 0.00 H new ATOM 0 HD12 LEU A 43 18.750 18.299 1.328 1.00 0.00 H new ATOM 0 HD13 LEU A 43 19.274 19.100 -0.172 1.00 0.00 H new ATOM 0 HD21 LEU A 43 21.594 20.659 1.124 1.00 0.00 H new ATOM 0 HD22 LEU A 43 20.427 21.385 -0.007 1.00 0.00 H new ATOM 0 HD23 LEU A 43 20.669 22.102 1.603 1.00 0.00 H new ATOM 717 N TYR A 44 16.166 23.160 3.692 1.00 0.00 N ATOM 718 CA TYR A 44 14.778 23.454 4.029 1.00 0.00 C ATOM 719 C TYR A 44 14.629 24.892 4.516 1.00 0.00 C ATOM 720 O TYR A 44 15.617 25.573 4.786 1.00 0.00 O ATOM 721 CB TYR A 44 14.276 22.485 5.101 1.00 0.00 C ATOM 722 CG TYR A 44 14.986 22.631 6.428 1.00 0.00 C ATOM 723 CD1 TYR A 44 16.291 22.183 6.593 1.00 0.00 C ATOM 724 CD2 TYR A 44 14.352 23.214 7.518 1.00 0.00 C ATOM 725 CE1 TYR A 44 16.944 22.313 7.803 1.00 0.00 C ATOM 726 CE2 TYR A 44 14.997 23.349 8.732 1.00 0.00 C ATOM 727 CZ TYR A 44 16.293 22.897 8.870 1.00 0.00 C ATOM 728 OH TYR A 44 16.938 23.029 10.078 1.00 0.00 O ATOM 0 H TYR A 44 16.850 23.566 4.330 1.00 0.00 H new ATOM 0 HA TYR A 44 14.177 23.331 3.128 1.00 0.00 H new ATOM 0 HB2 TYR A 44 13.208 22.643 5.250 1.00 0.00 H new ATOM 0 HB3 TYR A 44 14.400 21.463 4.742 1.00 0.00 H new ATOM 0 HD1 TYR A 44 16.804 21.725 5.760 1.00 0.00 H new ATOM 0 HD2 TYR A 44 13.337 23.568 7.414 1.00 0.00 H new ATOM 0 HE1 TYR A 44 17.959 21.959 7.913 1.00 0.00 H new ATOM 0 HE2 TYR A 44 14.489 23.806 9.569 1.00 0.00 H new ATOM 0 HH TYR A 44 16.340 23.461 10.723 1.00 0.00 H new ATOM 738 N ASP A 45 13.385 25.345 4.625 1.00 0.00 N ATOM 739 CA ASP A 45 13.103 26.702 5.081 1.00 0.00 C ATOM 740 C ASP A 45 12.850 26.728 6.585 1.00 0.00 C ATOM 741 O ASP A 45 11.982 26.016 7.090 1.00 0.00 O ATOM 742 CB ASP A 45 11.894 27.272 4.337 1.00 0.00 C ATOM 743 CG ASP A 45 12.233 28.527 3.558 1.00 0.00 C ATOM 744 OD1 ASP A 45 13.414 28.695 3.189 1.00 0.00 O ATOM 745 OD2 ASP A 45 11.317 29.342 3.318 1.00 0.00 O ATOM 0 H ASP A 45 12.556 24.793 4.404 1.00 0.00 H new ATOM 0 HA ASP A 45 13.975 27.320 4.867 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.503 26.518 3.654 1.00 0.00 H new ATOM 0 HB3 ASP A 45 11.103 27.495 5.053 1.00 0.00 H new ATOM 750 N GLN A 46 13.614 27.553 7.294 1.00 0.00 N ATOM 751 CA GLN A 46 13.472 27.669 8.741 1.00 0.00 C ATOM 752 C GLN A 46 12.134 28.302 9.108 1.00 0.00 C ATOM 753 O GLN A 46 11.695 28.224 10.255 1.00 0.00 O ATOM 754 CB GLN A 46 14.618 28.500 9.321 1.00 0.00 C ATOM 755 CG GLN A 46 15.997 27.975 8.953 1.00 0.00 C ATOM 756 CD GLN A 46 16.441 28.420 7.573 1.00 0.00 C ATOM 757 OE1 GLN A 46 16.128 27.617 6.563 1.00 0.00 O flip ATOM 758 NE2 GLN A 46 17.059 29.473 7.416 1.00 0.00 N flip ATOM 0 H GLN A 46 14.336 28.150 6.891 1.00 0.00 H new ATOM 0 HA GLN A 46 13.507 26.666 9.166 1.00 0.00 H new ATOM 0 HB2 GLN A 46 14.524 29.528 8.970 1.00 0.00 H new ATOM 0 HB3 GLN A 46 14.525 28.524 10.407 1.00 0.00 H new ATOM 0 HG2 GLN A 46 16.721 28.318 9.692 1.00 0.00 H new ATOM 0 HG3 GLN A 46 15.990 26.886 8.995 1.00 0.00 H new ATOM 0 HE21 GLN A 46 17.279 30.060 8.221 1.00 0.00 H new ATOM 0 HE22 GLN A 46 17.351 29.758 6.481 1.00 0.00 H new ATOM 767 N GLN A 47 11.492 28.927 8.126 1.00 0.00 N ATOM 768 CA GLN A 47 10.203 29.574 8.348 1.00 0.00 C ATOM 769 C GLN A 47 9.068 28.557 8.298 1.00 0.00 C ATOM 770 O GLN A 47 8.029 28.741 8.931 1.00 0.00 O ATOM 771 CB GLN A 47 9.972 30.666 7.303 1.00 0.00 C ATOM 772 CG GLN A 47 10.938 31.834 7.419 1.00 0.00 C ATOM 773 CD GLN A 47 12.324 31.403 7.857 1.00 0.00 C ATOM 774 OE1 GLN A 47 13.022 30.681 6.988 1.00 0.00 O flip ATOM 775 NE2 GLN A 47 12.763 31.716 8.964 1.00 0.00 N flip ATOM 0 H GLN A 47 11.842 28.999 7.171 1.00 0.00 H new ATOM 0 HA GLN A 47 10.217 30.026 9.340 1.00 0.00 H new ATOM 0 HB2 GLN A 47 10.061 30.230 6.308 1.00 0.00 H new ATOM 0 HB3 GLN A 47 8.952 31.038 7.398 1.00 0.00 H new ATOM 0 HG2 GLN A 47 11.006 32.341 6.457 1.00 0.00 H new ATOM 0 HG3 GLN A 47 10.544 32.557 8.133 1.00 0.00 H new ATOM 0 HE21 GLN A 47 12.192 32.272 9.600 1.00 0.00 H new ATOM 0 HE22 GLN A 47 13.698 31.419 9.245 1.00 0.00 H new ATOM 784 N GLU A 48 9.274 27.483 7.540 1.00 0.00 N ATOM 785 CA GLU A 48 8.266 26.438 7.408 1.00 0.00 C ATOM 786 C GLU A 48 8.920 25.080 7.170 1.00 0.00 C ATOM 787 O GLU A 48 9.262 24.734 6.039 1.00 0.00 O ATOM 788 CB GLU A 48 7.310 26.764 6.259 1.00 0.00 C ATOM 789 CG GLU A 48 6.371 27.921 6.558 1.00 0.00 C ATOM 790 CD GLU A 48 6.899 29.248 6.050 1.00 0.00 C ATOM 791 OE1 GLU A 48 8.098 29.316 5.708 1.00 0.00 O ATOM 792 OE2 GLU A 48 6.115 30.218 5.996 1.00 0.00 O ATOM 0 H GLU A 48 10.129 27.315 7.009 1.00 0.00 H new ATOM 0 HA GLU A 48 7.701 26.392 8.339 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.893 27.001 5.369 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.719 25.878 6.027 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.400 27.723 6.104 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.212 27.986 7.634 1.00 0.00 H new ATOM 799 N GLN A 49 9.089 24.315 8.243 1.00 0.00 N ATOM 800 CA GLN A 49 9.702 22.995 8.152 1.00 0.00 C ATOM 801 C GLN A 49 9.019 22.150 7.082 1.00 0.00 C ATOM 802 O GLN A 49 9.590 21.181 6.582 1.00 0.00 O ATOM 803 CB GLN A 49 9.631 22.282 9.503 1.00 0.00 C ATOM 804 CG GLN A 49 10.552 22.879 10.555 1.00 0.00 C ATOM 805 CD GLN A 49 9.840 23.859 11.466 1.00 0.00 C ATOM 806 OE1 GLN A 49 8.889 23.500 12.161 1.00 0.00 O ATOM 807 NE2 GLN A 49 10.298 25.105 11.468 1.00 0.00 N ATOM 0 H GLN A 49 8.810 24.586 9.186 1.00 0.00 H new ATOM 0 HA GLN A 49 10.747 23.127 7.873 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.605 22.316 9.869 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.885 21.231 9.364 1.00 0.00 H new ATOM 0 HG2 GLN A 49 10.980 22.076 11.155 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.382 23.385 10.061 1.00 0.00 H new ATOM 0 HE21 GLN A 49 11.089 25.359 10.876 1.00 0.00 H new ATOM 0 HE22 GLN A 49 9.859 25.809 12.062 1.00 0.00 H new ATOM 816 N HIS A 50 7.791 22.525 6.733 1.00 0.00 N ATOM 817 CA HIS A 50 7.030 21.801 5.721 1.00 0.00 C ATOM 818 C HIS A 50 7.314 22.355 4.329 1.00 0.00 C ATOM 819 O HIS A 50 6.505 22.204 3.413 1.00 0.00 O ATOM 820 CB HIS A 50 5.533 21.887 6.021 1.00 0.00 C ATOM 821 CG HIS A 50 4.992 23.283 5.978 1.00 0.00 C ATOM 822 ND1 HIS A 50 4.567 24.036 4.937 1.00 0.00 N flip ATOM 823 CD2 HIS A 50 4.842 24.066 7.103 1.00 0.00 C flip ATOM 824 CE1 HIS A 50 4.170 25.248 5.447 1.00 0.00 C flip ATOM 825 NE2 HIS A 50 4.345 25.240 6.756 1.00 0.00 N flip ATOM 0 H HIS A 50 7.303 23.325 7.136 1.00 0.00 H new ATOM 0 HA HIS A 50 7.339 20.756 5.747 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.991 21.274 5.301 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.344 21.463 7.007 1.00 0.00 H new ATOM 0 HD2 HIS A 50 5.092 23.767 8.110 1.00 0.00 H new ATOM 0 HE1 HIS A 50 3.778 26.073 4.871 1.00 0.00 H new ATOM 0 HE2 HIS A 50 4.133 26.009 7.391 1.00 0.00 H new ATOM 833 N MET A 51 8.467 22.997 4.176 1.00 0.00 N ATOM 834 CA MET A 51 8.858 23.573 2.895 1.00 0.00 C ATOM 835 C MET A 51 10.346 23.365 2.636 1.00 0.00 C ATOM 836 O MET A 51 11.183 24.131 3.114 1.00 0.00 O ATOM 837 CB MET A 51 8.526 25.066 2.860 1.00 0.00 C ATOM 838 CG MET A 51 7.037 25.356 2.763 1.00 0.00 C ATOM 839 SD MET A 51 6.301 24.712 1.249 1.00 0.00 S ATOM 840 CE MET A 51 7.693 24.811 0.127 1.00 0.00 C ATOM 0 H MET A 51 9.147 23.132 4.924 1.00 0.00 H new ATOM 0 HA MET A 51 8.297 23.065 2.111 1.00 0.00 H new ATOM 0 HB2 MET A 51 8.922 25.539 3.759 1.00 0.00 H new ATOM 0 HB3 MET A 51 9.033 25.523 2.010 1.00 0.00 H new ATOM 0 HG2 MET A 51 6.529 24.920 3.623 1.00 0.00 H new ATOM 0 HG3 MET A 51 6.877 26.433 2.811 1.00 0.00 H new ATOM 0 HE1 MET A 51 7.349 24.653 -0.895 1.00 0.00 H new ATOM 0 HE2 MET A 51 8.155 25.795 0.206 1.00 0.00 H new ATOM 0 HE3 MET A 51 8.424 24.045 0.386 1.00 0.00 H new ATOM 850 N VAL A 52 10.671 22.324 1.876 1.00 0.00 N ATOM 851 CA VAL A 52 12.059 22.015 1.554 1.00 0.00 C ATOM 852 C VAL A 52 12.555 22.867 0.391 1.00 0.00 C ATOM 853 O VAL A 52 11.811 23.145 -0.551 1.00 0.00 O ATOM 854 CB VAL A 52 12.235 20.527 1.198 1.00 0.00 C ATOM 855 CG1 VAL A 52 13.672 20.242 0.789 1.00 0.00 C ATOM 856 CG2 VAL A 52 11.820 19.647 2.367 1.00 0.00 C ATOM 0 H VAL A 52 9.991 21.680 1.472 1.00 0.00 H new ATOM 0 HA VAL A 52 12.648 22.240 2.443 1.00 0.00 H new ATOM 0 HB VAL A 52 11.589 20.295 0.351 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.777 19.186 0.541 1.00 0.00 H new ATOM 0 HG12 VAL A 52 13.929 20.846 -0.081 1.00 0.00 H new ATOM 0 HG13 VAL A 52 14.341 20.490 1.613 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.951 18.599 2.098 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.438 19.879 3.234 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.773 19.832 2.608 1.00 0.00 H new ATOM 866 N TYR A 53 13.815 23.279 0.462 1.00 0.00 N ATOM 867 CA TYR A 53 14.411 24.101 -0.585 1.00 0.00 C ATOM 868 C TYR A 53 15.395 23.289 -1.422 1.00 0.00 C ATOM 869 O TYR A 53 16.527 23.715 -1.656 1.00 0.00 O ATOM 870 CB TYR A 53 15.122 25.309 0.029 1.00 0.00 C ATOM 871 CG TYR A 53 14.206 26.485 0.283 1.00 0.00 C ATOM 872 CD1 TYR A 53 12.901 26.294 0.718 1.00 0.00 C ATOM 873 CD2 TYR A 53 14.648 27.788 0.089 1.00 0.00 C ATOM 874 CE1 TYR A 53 12.061 27.366 0.950 1.00 0.00 C ATOM 875 CE2 TYR A 53 13.816 28.867 0.321 1.00 0.00 C ATOM 876 CZ TYR A 53 12.523 28.650 0.750 1.00 0.00 C ATOM 877 OH TYR A 53 11.690 29.721 0.982 1.00 0.00 O ATOM 0 H TYR A 53 14.444 23.058 1.234 1.00 0.00 H new ATOM 0 HA TYR A 53 13.610 24.451 -1.237 1.00 0.00 H new ATOM 0 HB2 TYR A 53 15.584 25.009 0.970 1.00 0.00 H new ATOM 0 HB3 TYR A 53 15.927 25.623 -0.636 1.00 0.00 H new ATOM 0 HD1 TYR A 53 12.536 25.290 0.878 1.00 0.00 H new ATOM 0 HD2 TYR A 53 15.659 27.961 -0.249 1.00 0.00 H new ATOM 0 HE1 TYR A 53 11.048 27.199 1.286 1.00 0.00 H new ATOM 0 HE2 TYR A 53 14.176 29.874 0.167 1.00 0.00 H new ATOM 0 HH TYR A 53 11.035 29.483 1.671 1.00 0.00 H new ATOM 887 N CYS A 54 14.955 22.119 -1.870 1.00 0.00 N ATOM 888 CA CYS A 54 15.795 21.246 -2.681 1.00 0.00 C ATOM 889 C CYS A 54 16.664 22.060 -3.635 1.00 0.00 C ATOM 890 O CYS A 54 17.860 21.806 -3.772 1.00 0.00 O ATOM 891 CB CYS A 54 14.931 20.263 -3.473 1.00 0.00 C ATOM 892 SG CYS A 54 14.108 20.993 -4.907 1.00 0.00 S ATOM 0 H CYS A 54 14.021 21.753 -1.685 1.00 0.00 H new ATOM 0 HA CYS A 54 16.448 20.687 -2.011 1.00 0.00 H new ATOM 0 HB2 CYS A 54 15.556 19.435 -3.809 1.00 0.00 H new ATOM 0 HB3 CYS A 54 14.176 19.843 -2.809 1.00 0.00 H new ATOM 0 HG CYS A 54 14.999 21.353 -5.782 1.00 0.00 H new ATOM 898 N GLY A 55 16.053 23.040 -4.294 1.00 0.00 N ATOM 899 CA GLY A 55 16.785 23.875 -5.228 1.00 0.00 C ATOM 900 C GLY A 55 18.072 24.415 -4.637 1.00 0.00 C ATOM 901 O GLY A 55 18.069 25.443 -3.961 1.00 0.00 O ATOM 0 H GLY A 55 15.064 23.270 -4.198 1.00 0.00 H new ATOM 0 HA2 GLY A 55 17.014 23.298 -6.124 1.00 0.00 H new ATOM 0 HA3 GLY A 55 16.154 24.708 -5.538 1.00 0.00 H new ATOM 905 N GLY A 56 19.176 23.719 -4.890 1.00 0.00 N ATOM 906 CA GLY A 56 20.460 24.150 -4.369 1.00 0.00 C ATOM 907 C GLY A 56 21.367 22.984 -4.027 1.00 0.00 C ATOM 908 O GLY A 56 22.567 23.164 -3.815 1.00 0.00 O ATOM 0 H GLY A 56 19.204 22.865 -5.446 1.00 0.00 H new ATOM 0 HA2 GLY A 56 20.952 24.786 -5.105 1.00 0.00 H new ATOM 0 HA3 GLY A 56 20.302 24.757 -3.478 1.00 0.00 H new ATOM 912 N ASP A 57 20.794 21.787 -3.971 1.00 0.00 N ATOM 913 CA ASP A 57 21.559 20.588 -3.651 1.00 0.00 C ATOM 914 C ASP A 57 21.306 19.491 -4.681 1.00 0.00 C ATOM 915 O ASP A 57 20.437 19.624 -5.544 1.00 0.00 O ATOM 916 CB ASP A 57 21.197 20.084 -2.253 1.00 0.00 C ATOM 917 CG ASP A 57 22.416 19.896 -1.372 1.00 0.00 C ATOM 918 OD1 ASP A 57 23.049 20.910 -1.011 1.00 0.00 O ATOM 919 OD2 ASP A 57 22.738 18.735 -1.044 1.00 0.00 O ATOM 0 H ASP A 57 19.802 21.621 -4.143 1.00 0.00 H new ATOM 0 HA ASP A 57 22.618 20.846 -3.673 1.00 0.00 H new ATOM 0 HB2 ASP A 57 20.516 20.792 -1.780 1.00 0.00 H new ATOM 0 HB3 ASP A 57 20.664 19.137 -2.338 1.00 0.00 H new ATOM 924 N LEU A 58 22.070 18.409 -4.586 1.00 0.00 N ATOM 925 CA LEU A 58 21.930 17.289 -5.510 1.00 0.00 C ATOM 926 C LEU A 58 20.464 16.909 -5.687 1.00 0.00 C ATOM 927 O LEU A 58 19.970 16.802 -6.810 1.00 0.00 O ATOM 928 CB LEU A 58 22.724 16.083 -5.005 1.00 0.00 C ATOM 929 CG LEU A 58 24.247 16.199 -5.090 1.00 0.00 C ATOM 930 CD1 LEU A 58 24.652 17.037 -6.293 1.00 0.00 C ATOM 931 CD2 LEU A 58 24.809 16.794 -3.808 1.00 0.00 C ATOM 0 H LEU A 58 22.793 18.283 -3.878 1.00 0.00 H new ATOM 0 HA LEU A 58 22.326 17.597 -6.478 1.00 0.00 H new ATOM 0 HB2 LEU A 58 22.451 15.903 -3.965 1.00 0.00 H new ATOM 0 HB3 LEU A 58 22.414 15.206 -5.573 1.00 0.00 H new ATOM 0 HG LEU A 58 24.662 15.199 -5.214 1.00 0.00 H new ATOM 0 HD11 LEU A 58 25.739 17.109 -6.337 1.00 0.00 H new ATOM 0 HD12 LEU A 58 24.282 16.568 -7.205 1.00 0.00 H new ATOM 0 HD13 LEU A 58 24.226 18.036 -6.200 1.00 0.00 H new ATOM 0 HD21 LEU A 58 25.894 16.869 -3.887 1.00 0.00 H new ATOM 0 HD22 LEU A 58 24.387 17.787 -3.652 1.00 0.00 H new ATOM 0 HD23 LEU A 58 24.550 16.153 -2.965 1.00 0.00 H new ATOM 943 N LEU A 59 19.772 16.708 -4.571 1.00 0.00 N ATOM 944 CA LEU A 59 18.360 16.342 -4.601 1.00 0.00 C ATOM 945 C LEU A 59 17.547 17.371 -5.381 1.00 0.00 C ATOM 946 O LEU A 59 16.602 17.025 -6.087 1.00 0.00 O ATOM 947 CB LEU A 59 17.814 16.217 -3.178 1.00 0.00 C ATOM 948 CG LEU A 59 16.984 17.398 -2.671 1.00 0.00 C ATOM 949 CD1 LEU A 59 16.287 17.039 -1.368 1.00 0.00 C ATOM 950 CD2 LEU A 59 17.862 18.627 -2.488 1.00 0.00 C ATOM 0 H LEU A 59 20.166 16.792 -3.634 1.00 0.00 H new ATOM 0 HA LEU A 59 18.271 15.379 -5.103 1.00 0.00 H new ATOM 0 HB2 LEU A 59 17.201 15.318 -3.123 1.00 0.00 H new ATOM 0 HB3 LEU A 59 18.654 16.071 -2.499 1.00 0.00 H new ATOM 0 HG LEU A 59 16.222 17.629 -3.415 1.00 0.00 H new ATOM 0 HD11 LEU A 59 15.701 17.891 -1.022 1.00 0.00 H new ATOM 0 HD12 LEU A 59 15.627 16.187 -1.531 1.00 0.00 H new ATOM 0 HD13 LEU A 59 17.032 16.782 -0.616 1.00 0.00 H new ATOM 0 HD21 LEU A 59 17.255 19.457 -2.127 1.00 0.00 H new ATOM 0 HD22 LEU A 59 18.647 18.409 -1.763 1.00 0.00 H new ATOM 0 HD23 LEU A 59 18.314 18.896 -3.442 1.00 0.00 H new ATOM 962 N GLY A 60 17.925 18.639 -5.249 1.00 0.00 N ATOM 963 CA GLY A 60 17.222 19.699 -5.949 1.00 0.00 C ATOM 964 C GLY A 60 17.383 19.606 -7.453 1.00 0.00 C ATOM 965 O GLY A 60 16.406 19.704 -8.195 1.00 0.00 O ATOM 0 H GLY A 60 18.705 18.951 -4.670 1.00 0.00 H new ATOM 0 HA2 GLY A 60 16.162 19.656 -5.697 1.00 0.00 H new ATOM 0 HA3 GLY A 60 17.593 20.665 -5.606 1.00 0.00 H new ATOM 969 N GLU A 61 18.620 19.420 -7.905 1.00 0.00 N ATOM 970 CA GLU A 61 18.904 19.317 -9.331 1.00 0.00 C ATOM 971 C GLU A 61 18.176 18.125 -9.946 1.00 0.00 C ATOM 972 O GLU A 61 17.576 18.234 -11.016 1.00 0.00 O ATOM 973 CB GLU A 61 20.411 19.185 -9.565 1.00 0.00 C ATOM 974 CG GLU A 61 20.875 17.750 -9.746 1.00 0.00 C ATOM 975 CD GLU A 61 22.353 17.651 -10.071 1.00 0.00 C ATOM 976 OE1 GLU A 61 23.099 18.593 -9.728 1.00 0.00 O ATOM 977 OE2 GLU A 61 22.764 16.634 -10.667 1.00 0.00 O ATOM 0 H GLU A 61 19.440 19.338 -7.304 1.00 0.00 H new ATOM 0 HA GLU A 61 18.547 20.227 -9.813 1.00 0.00 H new ATOM 0 HB2 GLU A 61 20.685 19.761 -10.449 1.00 0.00 H new ATOM 0 HB3 GLU A 61 20.941 19.626 -8.721 1.00 0.00 H new ATOM 0 HG2 GLU A 61 20.669 17.188 -8.835 1.00 0.00 H new ATOM 0 HG3 GLU A 61 20.299 17.284 -10.546 1.00 0.00 H new ATOM 984 N LEU A 62 18.235 16.987 -9.264 1.00 0.00 N ATOM 985 CA LEU A 62 17.583 15.773 -9.742 1.00 0.00 C ATOM 986 C LEU A 62 16.069 15.954 -9.797 1.00 0.00 C ATOM 987 O LEU A 62 15.415 15.517 -10.745 1.00 0.00 O ATOM 988 CB LEU A 62 17.934 14.591 -8.837 1.00 0.00 C ATOM 989 CG LEU A 62 18.272 13.279 -9.547 1.00 0.00 C ATOM 990 CD1 LEU A 62 17.003 12.582 -10.013 1.00 0.00 C ATOM 991 CD2 LEU A 62 19.205 13.534 -10.721 1.00 0.00 C ATOM 0 H LEU A 62 18.728 16.879 -8.378 1.00 0.00 H new ATOM 0 HA LEU A 62 17.943 15.570 -10.750 1.00 0.00 H new ATOM 0 HB2 LEU A 62 18.784 14.874 -8.216 1.00 0.00 H new ATOM 0 HB3 LEU A 62 17.094 14.412 -8.165 1.00 0.00 H new ATOM 0 HG LEU A 62 18.781 12.625 -8.839 1.00 0.00 H new ATOM 0 HD11 LEU A 62 17.263 11.651 -10.516 1.00 0.00 H new ATOM 0 HD12 LEU A 62 16.370 12.365 -9.153 1.00 0.00 H new ATOM 0 HD13 LEU A 62 16.465 13.230 -10.705 1.00 0.00 H new ATOM 0 HD21 LEU A 62 19.435 12.590 -11.215 1.00 0.00 H new ATOM 0 HD22 LEU A 62 18.722 14.206 -11.430 1.00 0.00 H new ATOM 0 HD23 LEU A 62 20.127 13.989 -10.360 1.00 0.00 H new ATOM 1003 N LEU A 63 15.519 16.603 -8.777 1.00 0.00 N ATOM 1004 CA LEU A 63 14.082 16.845 -8.710 1.00 0.00 C ATOM 1005 C LEU A 63 13.634 17.780 -9.829 1.00 0.00 C ATOM 1006 O LEU A 63 12.557 17.611 -10.400 1.00 0.00 O ATOM 1007 CB LEU A 63 13.708 17.440 -7.352 1.00 0.00 C ATOM 1008 CG LEU A 63 12.799 16.583 -6.470 1.00 0.00 C ATOM 1009 CD1 LEU A 63 12.933 16.990 -5.010 1.00 0.00 C ATOM 1010 CD2 LEU A 63 11.352 16.695 -6.926 1.00 0.00 C ATOM 0 H LEU A 63 16.046 16.971 -7.985 1.00 0.00 H new ATOM 0 HA LEU A 63 13.572 15.890 -8.834 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.627 17.644 -6.802 1.00 0.00 H new ATOM 0 HB3 LEU A 63 13.218 18.399 -7.521 1.00 0.00 H new ATOM 0 HG LEU A 63 13.109 15.542 -6.566 1.00 0.00 H new ATOM 0 HD11 LEU A 63 12.279 16.369 -4.398 1.00 0.00 H new ATOM 0 HD12 LEU A 63 13.966 16.856 -4.688 1.00 0.00 H new ATOM 0 HD13 LEU A 63 12.651 18.037 -4.897 1.00 0.00 H new ATOM 0 HD21 LEU A 63 10.720 16.078 -6.287 1.00 0.00 H new ATOM 0 HD22 LEU A 63 11.029 17.734 -6.861 1.00 0.00 H new ATOM 0 HD23 LEU A 63 11.268 16.353 -7.957 1.00 0.00 H new ATOM 1022 N GLY A 64 14.469 18.767 -10.138 1.00 0.00 N ATOM 1023 CA GLY A 64 14.143 19.713 -11.189 1.00 0.00 C ATOM 1024 C GLY A 64 13.376 20.913 -10.671 1.00 0.00 C ATOM 1025 O GLY A 64 13.068 21.835 -11.426 1.00 0.00 O ATOM 0 H GLY A 64 15.366 18.928 -9.679 1.00 0.00 H new ATOM 0 HA2 GLY A 64 15.062 20.052 -11.667 1.00 0.00 H new ATOM 0 HA3 GLY A 64 13.552 19.211 -11.955 1.00 0.00 H new ATOM 1029 N ARG A 65 13.066 20.902 -9.379 1.00 0.00 N ATOM 1030 CA ARG A 65 12.327 21.997 -8.761 1.00 0.00 C ATOM 1031 C ARG A 65 13.228 22.803 -7.829 1.00 0.00 C ATOM 1032 O ARG A 65 14.260 22.312 -7.371 1.00 0.00 O ATOM 1033 CB ARG A 65 11.126 21.456 -7.983 1.00 0.00 C ATOM 1034 CG ARG A 65 10.395 20.331 -8.698 1.00 0.00 C ATOM 1035 CD ARG A 65 10.124 20.679 -10.153 1.00 0.00 C ATOM 1036 NE ARG A 65 9.823 19.494 -10.952 1.00 0.00 N ATOM 1037 CZ ARG A 65 9.181 19.536 -12.115 1.00 0.00 C ATOM 1038 NH1 ARG A 65 8.776 20.696 -12.611 1.00 0.00 N ATOM 1039 NH2 ARG A 65 8.945 18.414 -12.784 1.00 0.00 N ATOM 0 H ARG A 65 13.315 20.147 -8.740 1.00 0.00 H new ATOM 0 HA ARG A 65 11.971 22.655 -9.554 1.00 0.00 H new ATOM 0 HB2 ARG A 65 11.465 21.098 -7.011 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.427 22.271 -7.796 1.00 0.00 H new ATOM 0 HG2 ARG A 65 10.989 19.419 -8.646 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.452 20.127 -8.190 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.288 21.376 -10.209 1.00 0.00 H new ATOM 0 HD3 ARG A 65 10.992 21.188 -10.572 1.00 0.00 H new ATOM 0 HE ARG A 65 10.122 18.585 -10.598 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.957 21.560 -12.100 1.00 0.00 H new ATOM 0 HH12 ARG A 65 8.284 20.725 -13.504 1.00 0.00 H new ATOM 0 HH21 ARG A 65 9.256 17.519 -12.406 1.00 0.00 H new ATOM 0 HH22 ARG A 65 8.452 18.446 -13.677 1.00 0.00 H new ATOM 1053 N GLN A 66 12.831 24.041 -7.555 1.00 0.00 N ATOM 1054 CA GLN A 66 13.603 24.914 -6.679 1.00 0.00 C ATOM 1055 C GLN A 66 13.285 24.636 -5.214 1.00 0.00 C ATOM 1056 O GLN A 66 14.165 24.696 -4.355 1.00 0.00 O ATOM 1057 CB GLN A 66 13.317 26.381 -7.006 1.00 0.00 C ATOM 1058 CG GLN A 66 11.839 26.687 -7.186 1.00 0.00 C ATOM 1059 CD GLN A 66 11.517 28.154 -6.979 1.00 0.00 C ATOM 1060 OE1 GLN A 66 12.330 29.028 -7.282 1.00 0.00 O ATOM 1061 NE2 GLN A 66 10.326 28.432 -6.461 1.00 0.00 N ATOM 0 H GLN A 66 11.980 24.462 -7.927 1.00 0.00 H new ATOM 0 HA GLN A 66 14.661 24.711 -6.846 1.00 0.00 H new ATOM 0 HB2 GLN A 66 13.714 27.007 -6.207 1.00 0.00 H new ATOM 0 HB3 GLN A 66 13.849 26.652 -7.918 1.00 0.00 H new ATOM 0 HG2 GLN A 66 11.530 26.389 -8.188 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.260 26.089 -6.482 1.00 0.00 H new ATOM 0 HE21 GLN A 66 9.684 27.676 -6.225 1.00 0.00 H new ATOM 0 HE22 GLN A 66 10.054 29.402 -6.300 1.00 0.00 H new ATOM 1070 N SER A 67 12.021 24.331 -4.935 1.00 0.00 N ATOM 1071 CA SER A 67 11.586 24.047 -3.573 1.00 0.00 C ATOM 1072 C SER A 67 10.295 23.234 -3.573 1.00 0.00 C ATOM 1073 O SER A 67 9.418 23.440 -4.413 1.00 0.00 O ATOM 1074 CB SER A 67 11.381 25.350 -2.798 1.00 0.00 C ATOM 1075 OG SER A 67 10.089 25.884 -3.031 1.00 0.00 O ATOM 0 H SER A 67 11.281 24.274 -5.635 1.00 0.00 H new ATOM 0 HA SER A 67 12.364 23.461 -3.085 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.516 25.168 -1.732 1.00 0.00 H new ATOM 0 HB3 SER A 67 12.137 26.076 -3.095 1.00 0.00 H new ATOM 0 HG SER A 67 9.982 26.715 -2.523 1.00 0.00 H new ATOM 1081 N PHE A 68 10.185 22.309 -2.626 1.00 0.00 N ATOM 1082 CA PHE A 68 9.003 21.463 -2.516 1.00 0.00 C ATOM 1083 C PHE A 68 8.516 21.393 -1.072 1.00 0.00 C ATOM 1084 O PHE A 68 9.292 21.580 -0.134 1.00 0.00 O ATOM 1085 CB PHE A 68 9.307 20.055 -3.033 1.00 0.00 C ATOM 1086 CG PHE A 68 10.231 19.276 -2.142 1.00 0.00 C ATOM 1087 CD1 PHE A 68 9.774 18.734 -0.952 1.00 0.00 C ATOM 1088 CD2 PHE A 68 11.558 19.088 -2.493 1.00 0.00 C ATOM 1089 CE1 PHE A 68 10.622 18.016 -0.129 1.00 0.00 C ATOM 1090 CE2 PHE A 68 12.410 18.370 -1.675 1.00 0.00 C ATOM 1091 CZ PHE A 68 11.942 17.835 -0.491 1.00 0.00 C ATOM 0 H PHE A 68 10.901 22.126 -1.923 1.00 0.00 H new ATOM 0 HA PHE A 68 8.214 21.904 -3.126 1.00 0.00 H new ATOM 0 HB2 PHE A 68 8.371 19.506 -3.141 1.00 0.00 H new ATOM 0 HB3 PHE A 68 9.750 20.129 -4.026 1.00 0.00 H new ATOM 0 HD1 PHE A 68 8.743 18.874 -0.663 1.00 0.00 H new ATOM 0 HD2 PHE A 68 11.931 19.507 -3.416 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.252 17.597 0.795 1.00 0.00 H new ATOM 0 HE2 PHE A 68 13.441 18.227 -1.962 1.00 0.00 H new ATOM 0 HZ PHE A 68 12.607 17.276 0.151 1.00 0.00 H new ATOM 1101 N SER A 69 7.226 21.123 -0.901 1.00 0.00 N ATOM 1102 CA SER A 69 6.634 21.033 0.429 1.00 0.00 C ATOM 1103 C SER A 69 6.704 19.604 0.959 1.00 0.00 C ATOM 1104 O SER A 69 6.426 18.647 0.236 1.00 0.00 O ATOM 1105 CB SER A 69 5.179 21.505 0.395 1.00 0.00 C ATOM 1106 OG SER A 69 4.863 22.096 -0.853 1.00 0.00 O ATOM 0 H SER A 69 6.571 20.963 -1.666 1.00 0.00 H new ATOM 0 HA SER A 69 7.203 21.679 1.098 1.00 0.00 H new ATOM 0 HB2 SER A 69 4.515 20.660 0.579 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.008 22.225 1.195 1.00 0.00 H new ATOM 0 HG SER A 69 3.927 22.388 -0.849 1.00 0.00 H new ATOM 1112 N VAL A 70 7.078 19.468 2.227 1.00 0.00 N ATOM 1113 CA VAL A 70 7.185 18.156 2.856 1.00 0.00 C ATOM 1114 C VAL A 70 5.809 17.598 3.200 1.00 0.00 C ATOM 1115 O VAL A 70 5.577 16.392 3.116 1.00 0.00 O ATOM 1116 CB VAL A 70 8.038 18.216 4.138 1.00 0.00 C ATOM 1117 CG1 VAL A 70 9.041 19.357 4.058 1.00 0.00 C ATOM 1118 CG2 VAL A 70 7.147 18.363 5.362 1.00 0.00 C ATOM 0 H VAL A 70 7.312 20.250 2.839 1.00 0.00 H new ATOM 0 HA VAL A 70 7.671 17.498 2.136 1.00 0.00 H new ATOM 0 HB VAL A 70 8.593 17.282 4.230 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.635 19.384 4.972 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.699 19.204 3.202 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.509 20.301 3.942 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.765 18.404 6.259 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.565 19.281 5.280 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.472 17.510 5.425 1.00 0.00 H new ATOM 1128 N LYS A 71 4.897 18.484 3.587 1.00 0.00 N ATOM 1129 CA LYS A 71 3.541 18.082 3.942 1.00 0.00 C ATOM 1130 C LYS A 71 2.744 17.699 2.699 1.00 0.00 C ATOM 1131 O LYS A 71 1.605 17.241 2.797 1.00 0.00 O ATOM 1132 CB LYS A 71 2.831 19.213 4.688 1.00 0.00 C ATOM 1133 CG LYS A 71 2.144 18.761 5.966 1.00 0.00 C ATOM 1134 CD LYS A 71 1.377 19.899 6.619 1.00 0.00 C ATOM 1135 CE LYS A 71 2.310 21.014 7.068 1.00 0.00 C ATOM 1136 NZ LYS A 71 1.935 22.325 6.472 1.00 0.00 N ATOM 0 H LYS A 71 5.073 19.486 3.663 1.00 0.00 H new ATOM 0 HA LYS A 71 3.606 17.210 4.593 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.557 19.989 4.930 1.00 0.00 H new ATOM 0 HB3 LYS A 71 2.091 19.664 4.027 1.00 0.00 H new ATOM 0 HG2 LYS A 71 1.461 17.942 5.743 1.00 0.00 H new ATOM 0 HG3 LYS A 71 2.888 18.375 6.663 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.645 20.297 5.916 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.822 19.520 7.477 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.288 21.090 8.155 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.333 20.767 6.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.321 23.095 7.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.323 22.392 5.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 0.899 22.406 6.434 1.00 0.00 H new ATOM 1150 N ASP A 72 3.349 17.888 1.532 1.00 0.00 N ATOM 1151 CA ASP A 72 2.696 17.560 0.270 1.00 0.00 C ATOM 1152 C ASP A 72 3.610 16.713 -0.610 1.00 0.00 C ATOM 1153 O ASP A 72 4.386 17.225 -1.417 1.00 0.00 O ATOM 1154 CB ASP A 72 2.297 18.838 -0.470 1.00 0.00 C ATOM 1155 CG ASP A 72 1.369 19.715 0.348 1.00 0.00 C ATOM 1156 OD1 ASP A 72 1.676 19.958 1.534 1.00 0.00 O ATOM 1157 OD2 ASP A 72 0.336 20.157 -0.197 1.00 0.00 O ATOM 0 H ASP A 72 4.291 18.267 1.433 1.00 0.00 H new ATOM 0 HA ASP A 72 1.798 16.983 0.493 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.194 19.402 -0.725 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.809 18.574 -1.408 1.00 0.00 H new ATOM 1162 N PRO A 73 3.517 15.384 -0.453 1.00 0.00 N ATOM 1163 CA PRO A 73 4.328 14.437 -1.224 1.00 0.00 C ATOM 1164 C PRO A 73 3.923 14.389 -2.693 1.00 0.00 C ATOM 1165 O PRO A 73 3.483 13.354 -3.192 1.00 0.00 O ATOM 1166 CB PRO A 73 4.044 13.094 -0.547 1.00 0.00 C ATOM 1167 CG PRO A 73 2.702 13.260 0.077 1.00 0.00 C ATOM 1168 CD PRO A 73 2.614 14.703 0.490 1.00 0.00 C ATOM 0 HA PRO A 73 5.382 14.713 -1.229 1.00 0.00 H new ATOM 0 HB2 PRO A 73 4.046 12.278 -1.270 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.802 12.860 0.201 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.910 13.007 -0.628 1.00 0.00 H new ATOM 0 HG3 PRO A 73 2.587 12.600 0.937 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.595 15.081 0.414 1.00 0.00 H new ATOM 0 HD3 PRO A 73 2.931 14.845 1.523 1.00 0.00 H new ATOM 1176 N SER A 74 4.075 15.517 -3.381 1.00 0.00 N ATOM 1177 CA SER A 74 3.722 15.604 -4.793 1.00 0.00 C ATOM 1178 C SER A 74 4.954 15.418 -5.674 1.00 0.00 C ATOM 1179 O SER A 74 5.112 14.406 -6.358 1.00 0.00 O ATOM 1180 CB SER A 74 3.066 16.953 -5.094 1.00 0.00 C ATOM 1181 OG SER A 74 1.654 16.836 -5.135 1.00 0.00 O ATOM 0 H SER A 74 4.440 16.382 -2.983 1.00 0.00 H new ATOM 0 HA SER A 74 3.014 14.805 -5.015 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.352 17.678 -4.332 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.430 17.333 -6.048 1.00 0.00 H new ATOM 0 HG SER A 74 1.259 17.712 -5.327 1.00 0.00 H new ATOM 1187 N PRO A 75 5.849 16.416 -5.657 1.00 0.00 N ATOM 1188 CA PRO A 75 7.083 16.387 -6.448 1.00 0.00 C ATOM 1189 C PRO A 75 8.079 15.355 -5.929 1.00 0.00 C ATOM 1190 O PRO A 75 8.889 14.822 -6.689 1.00 0.00 O ATOM 1191 CB PRO A 75 7.644 17.801 -6.282 1.00 0.00 C ATOM 1192 CG PRO A 75 7.085 18.282 -4.988 1.00 0.00 C ATOM 1193 CD PRO A 75 5.725 17.651 -4.865 1.00 0.00 C ATOM 0 HA PRO A 75 6.896 16.107 -7.485 1.00 0.00 H new ATOM 0 HB2 PRO A 75 8.734 17.795 -6.264 1.00 0.00 H new ATOM 0 HB3 PRO A 75 7.342 18.446 -7.107 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.726 17.994 -4.155 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.013 19.370 -4.974 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.473 17.438 -3.826 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.943 18.302 -5.256 1.00 0.00 H new ATOM 1201 N LEU A 76 8.014 15.076 -4.632 1.00 0.00 N ATOM 1202 CA LEU A 76 8.910 14.106 -4.012 1.00 0.00 C ATOM 1203 C LEU A 76 8.799 12.747 -4.696 1.00 0.00 C ATOM 1204 O LEU A 76 9.779 12.228 -5.230 1.00 0.00 O ATOM 1205 CB LEU A 76 8.591 13.968 -2.522 1.00 0.00 C ATOM 1206 CG LEU A 76 9.497 13.027 -1.727 1.00 0.00 C ATOM 1207 CD1 LEU A 76 10.670 13.791 -1.133 1.00 0.00 C ATOM 1208 CD2 LEU A 76 8.707 12.325 -0.633 1.00 0.00 C ATOM 0 H LEU A 76 7.350 15.508 -3.989 1.00 0.00 H new ATOM 0 HA LEU A 76 9.932 14.467 -4.127 1.00 0.00 H new ATOM 0 HB2 LEU A 76 8.640 14.957 -2.067 1.00 0.00 H new ATOM 0 HB3 LEU A 76 7.563 13.621 -2.421 1.00 0.00 H new ATOM 0 HG LEU A 76 9.889 12.271 -2.407 1.00 0.00 H new ATOM 0 HD11 LEU A 76 11.304 13.105 -0.571 1.00 0.00 H new ATOM 0 HD12 LEU A 76 11.251 14.247 -1.935 1.00 0.00 H new ATOM 0 HD13 LEU A 76 10.297 14.569 -0.467 1.00 0.00 H new ATOM 0 HD21 LEU A 76 9.367 11.659 -0.077 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.286 13.067 0.045 1.00 0.00 H new ATOM 0 HD23 LEU A 76 7.901 11.745 -1.082 1.00 0.00 H new ATOM 1220 N TYR A 77 7.599 12.178 -4.677 1.00 0.00 N ATOM 1221 CA TYR A 77 7.360 10.879 -5.295 1.00 0.00 C ATOM 1222 C TYR A 77 7.785 10.886 -6.760 1.00 0.00 C ATOM 1223 O TYR A 77 8.249 9.875 -7.288 1.00 0.00 O ATOM 1224 CB TYR A 77 5.881 10.502 -5.184 1.00 0.00 C ATOM 1225 CG TYR A 77 5.529 9.806 -3.889 1.00 0.00 C ATOM 1226 CD1 TYR A 77 5.865 8.474 -3.680 1.00 0.00 C ATOM 1227 CD2 TYR A 77 4.862 10.480 -2.874 1.00 0.00 C ATOM 1228 CE1 TYR A 77 5.545 7.833 -2.499 1.00 0.00 C ATOM 1229 CE2 TYR A 77 4.539 9.847 -1.689 1.00 0.00 C ATOM 1230 CZ TYR A 77 4.882 8.524 -1.506 1.00 0.00 C ATOM 1231 OH TYR A 77 4.562 7.890 -0.327 1.00 0.00 O ATOM 0 H TYR A 77 6.777 12.595 -4.241 1.00 0.00 H new ATOM 0 HA TYR A 77 7.958 10.138 -4.765 1.00 0.00 H new ATOM 0 HB2 TYR A 77 5.277 11.404 -5.278 1.00 0.00 H new ATOM 0 HB3 TYR A 77 5.616 9.853 -6.019 1.00 0.00 H new ATOM 0 HD1 TYR A 77 6.385 7.930 -4.455 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.591 11.516 -3.013 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.812 6.797 -2.354 1.00 0.00 H new ATOM 0 HE2 TYR A 77 4.020 10.386 -0.910 1.00 0.00 H new ATOM 0 HH TYR A 77 4.098 8.517 0.266 1.00 0.00 H new ATOM 1241 N ASP A 78 7.626 12.033 -7.410 1.00 0.00 N ATOM 1242 CA ASP A 78 7.995 12.174 -8.814 1.00 0.00 C ATOM 1243 C ASP A 78 9.484 11.913 -9.013 1.00 0.00 C ATOM 1244 O ASP A 78 9.900 11.390 -10.046 1.00 0.00 O ATOM 1245 CB ASP A 78 7.637 13.573 -9.319 1.00 0.00 C ATOM 1246 CG ASP A 78 7.217 13.572 -10.776 1.00 0.00 C ATOM 1247 OD1 ASP A 78 7.559 12.607 -11.492 1.00 0.00 O ATOM 1248 OD2 ASP A 78 6.546 14.536 -11.200 1.00 0.00 O ATOM 0 H ASP A 78 7.244 12.879 -6.987 1.00 0.00 H new ATOM 0 HA ASP A 78 7.436 11.435 -9.388 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.829 13.980 -8.711 1.00 0.00 H new ATOM 0 HB3 ASP A 78 8.495 14.233 -9.192 1.00 0.00 H new ATOM 1253 N MET A 79 10.283 12.284 -8.017 1.00 0.00 N ATOM 1254 CA MET A 79 11.727 12.090 -8.083 1.00 0.00 C ATOM 1255 C MET A 79 12.097 10.648 -7.750 1.00 0.00 C ATOM 1256 O MET A 79 12.818 9.991 -8.502 1.00 0.00 O ATOM 1257 CB MET A 79 12.436 13.046 -7.123 1.00 0.00 C ATOM 1258 CG MET A 79 13.781 12.532 -6.636 1.00 0.00 C ATOM 1259 SD MET A 79 14.564 13.645 -5.453 1.00 0.00 S ATOM 1260 CE MET A 79 13.478 13.457 -4.041 1.00 0.00 C ATOM 0 H MET A 79 9.955 12.720 -7.155 1.00 0.00 H new ATOM 0 HA MET A 79 12.051 12.304 -9.101 1.00 0.00 H new ATOM 0 HB2 MET A 79 12.581 14.005 -7.620 1.00 0.00 H new ATOM 0 HB3 MET A 79 11.792 13.227 -6.262 1.00 0.00 H new ATOM 0 HG2 MET A 79 13.646 11.554 -6.174 1.00 0.00 H new ATOM 0 HG3 MET A 79 14.443 12.392 -7.491 1.00 0.00 H new ATOM 0 HE1 MET A 79 13.436 14.395 -3.487 1.00 0.00 H new ATOM 0 HE2 MET A 79 12.477 13.194 -4.384 1.00 0.00 H new ATOM 0 HE3 MET A 79 13.858 12.668 -3.392 1.00 0.00 H new ATOM 1270 N LEU A 80 11.601 10.161 -6.617 1.00 0.00 N ATOM 1271 CA LEU A 80 11.880 8.797 -6.184 1.00 0.00 C ATOM 1272 C LEU A 80 11.480 7.791 -7.258 1.00 0.00 C ATOM 1273 O LEU A 80 12.096 6.734 -7.395 1.00 0.00 O ATOM 1274 CB LEU A 80 11.138 8.492 -4.882 1.00 0.00 C ATOM 1275 CG LEU A 80 11.724 9.113 -3.614 1.00 0.00 C ATOM 1276 CD1 LEU A 80 11.959 10.603 -3.807 1.00 0.00 C ATOM 1277 CD2 LEU A 80 10.807 8.865 -2.425 1.00 0.00 C ATOM 0 H LEU A 80 11.004 10.691 -5.982 1.00 0.00 H new ATOM 0 HA LEU A 80 12.953 8.710 -6.013 1.00 0.00 H new ATOM 0 HB2 LEU A 80 10.108 8.832 -4.986 1.00 0.00 H new ATOM 0 HB3 LEU A 80 11.105 7.410 -4.751 1.00 0.00 H new ATOM 0 HG LEU A 80 12.684 8.639 -3.412 1.00 0.00 H new ATOM 0 HD11 LEU A 80 12.376 11.027 -2.894 1.00 0.00 H new ATOM 0 HD12 LEU A 80 12.656 10.758 -4.630 1.00 0.00 H new ATOM 0 HD13 LEU A 80 11.013 11.094 -4.036 1.00 0.00 H new ATOM 0 HD21 LEU A 80 11.240 9.314 -1.531 1.00 0.00 H new ATOM 0 HD22 LEU A 80 9.831 9.311 -2.619 1.00 0.00 H new ATOM 0 HD23 LEU A 80 10.692 7.792 -2.272 1.00 0.00 H new ATOM 1289 N ARG A 81 10.444 8.128 -8.021 1.00 0.00 N ATOM 1290 CA ARG A 81 9.962 7.255 -9.084 1.00 0.00 C ATOM 1291 C ARG A 81 11.127 6.607 -9.825 1.00 0.00 C ATOM 1292 O ARG A 81 11.163 5.389 -10.005 1.00 0.00 O ATOM 1293 CB ARG A 81 9.094 8.044 -10.066 1.00 0.00 C ATOM 1294 CG ARG A 81 9.709 8.180 -11.450 1.00 0.00 C ATOM 1295 CD ARG A 81 8.755 8.858 -12.420 1.00 0.00 C ATOM 1296 NE ARG A 81 8.580 8.085 -13.646 1.00 0.00 N ATOM 1297 CZ ARG A 81 7.788 7.021 -13.737 1.00 0.00 C ATOM 1298 NH1 ARG A 81 7.103 6.608 -12.680 1.00 0.00 N ATOM 1299 NH2 ARG A 81 7.681 6.370 -14.888 1.00 0.00 N ATOM 0 H ARG A 81 9.923 8.999 -7.922 1.00 0.00 H new ATOM 0 HA ARG A 81 9.361 6.468 -8.629 1.00 0.00 H new ATOM 0 HB2 ARG A 81 8.124 7.554 -10.155 1.00 0.00 H new ATOM 0 HB3 ARG A 81 8.912 9.039 -9.659 1.00 0.00 H new ATOM 0 HG2 ARG A 81 10.632 8.756 -11.384 1.00 0.00 H new ATOM 0 HG3 ARG A 81 9.975 7.193 -11.830 1.00 0.00 H new ATOM 0 HD2 ARG A 81 7.787 8.998 -11.938 1.00 0.00 H new ATOM 0 HD3 ARG A 81 9.134 9.850 -12.668 1.00 0.00 H new ATOM 0 HE ARG A 81 9.093 8.377 -14.478 1.00 0.00 H new ATOM 0 HH11 ARG A 81 7.183 7.107 -11.794 1.00 0.00 H new ATOM 0 HH12 ARG A 81 6.496 5.791 -12.753 1.00 0.00 H new ATOM 0 HH21 ARG A 81 8.206 6.686 -15.703 1.00 0.00 H new ATOM 0 HH22 ARG A 81 7.073 5.554 -14.958 1.00 0.00 H new ATOM 1313 N LYS A 82 12.079 7.428 -10.255 1.00 0.00 N ATOM 1314 CA LYS A 82 13.247 6.936 -10.976 1.00 0.00 C ATOM 1315 C LYS A 82 14.478 6.926 -10.076 1.00 0.00 C ATOM 1316 O LYS A 82 15.554 6.493 -10.486 1.00 0.00 O ATOM 1317 CB LYS A 82 13.511 7.802 -12.211 1.00 0.00 C ATOM 1318 CG LYS A 82 14.648 8.792 -12.027 1.00 0.00 C ATOM 1319 CD LYS A 82 14.316 9.832 -10.970 1.00 0.00 C ATOM 1320 CE LYS A 82 13.029 10.571 -11.300 1.00 0.00 C ATOM 1321 NZ LYS A 82 13.183 12.046 -11.156 1.00 0.00 N ATOM 0 H LYS A 82 12.064 8.438 -10.116 1.00 0.00 H new ATOM 0 HA LYS A 82 13.043 5.913 -11.293 1.00 0.00 H new ATOM 0 HB2 LYS A 82 13.738 7.154 -13.057 1.00 0.00 H new ATOM 0 HB3 LYS A 82 12.602 8.348 -12.463 1.00 0.00 H new ATOM 0 HG2 LYS A 82 15.554 8.258 -11.741 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.856 9.289 -12.975 1.00 0.00 H new ATOM 0 HD2 LYS A 82 14.219 9.347 -9.999 1.00 0.00 H new ATOM 0 HD3 LYS A 82 15.136 10.545 -10.890 1.00 0.00 H new ATOM 0 HE2 LYS A 82 12.726 10.335 -12.320 1.00 0.00 H new ATOM 0 HE3 LYS A 82 12.232 10.223 -10.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 12.245 12.486 -11.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 13.743 12.255 -10.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 13.669 12.428 -11.993 1.00 0.00 H new ATOM 1335 N ASN A 83 14.311 7.405 -8.848 1.00 0.00 N ATOM 1336 CA ASN A 83 15.410 7.449 -7.889 1.00 0.00 C ATOM 1337 C ASN A 83 15.380 6.231 -6.971 1.00 0.00 C ATOM 1338 O ASN A 83 16.335 5.454 -6.921 1.00 0.00 O ATOM 1339 CB ASN A 83 15.336 8.731 -7.057 1.00 0.00 C ATOM 1340 CG ASN A 83 16.698 9.367 -6.854 1.00 0.00 C ATOM 1341 OD1 ASN A 83 17.631 9.120 -7.617 1.00 0.00 O ATOM 1342 ND2 ASN A 83 16.817 10.192 -5.820 1.00 0.00 N ATOM 0 H ASN A 83 13.426 7.768 -8.493 1.00 0.00 H new ATOM 0 HA ASN A 83 16.347 7.438 -8.446 1.00 0.00 H new ATOM 0 HB2 ASN A 83 14.675 9.444 -7.550 1.00 0.00 H new ATOM 0 HB3 ASN A 83 14.895 8.506 -6.086 1.00 0.00 H new ATOM 0 HD21 ASN A 83 17.709 10.650 -5.633 1.00 0.00 H new ATOM 0 HD22 ASN A 83 16.016 10.368 -5.213 1.00 0.00 H new ATOM 1349 N LEU A 84 14.279 6.070 -6.246 1.00 0.00 N ATOM 1350 CA LEU A 84 14.124 4.946 -5.329 1.00 0.00 C ATOM 1351 C LEU A 84 13.546 3.732 -6.049 1.00 0.00 C ATOM 1352 O LEU A 84 12.416 3.765 -6.536 1.00 0.00 O ATOM 1353 CB LEU A 84 13.219 5.338 -4.159 1.00 0.00 C ATOM 1354 CG LEU A 84 13.917 5.570 -2.819 1.00 0.00 C ATOM 1355 CD1 LEU A 84 14.660 4.318 -2.381 1.00 0.00 C ATOM 1356 CD2 LEU A 84 14.870 6.753 -2.912 1.00 0.00 C ATOM 0 H LEU A 84 13.480 6.703 -6.275 1.00 0.00 H new ATOM 0 HA LEU A 84 15.110 4.683 -4.946 1.00 0.00 H new ATOM 0 HB2 LEU A 84 12.683 6.248 -4.429 1.00 0.00 H new ATOM 0 HB3 LEU A 84 12.472 4.556 -4.026 1.00 0.00 H new ATOM 0 HG LEU A 84 13.158 5.798 -2.070 1.00 0.00 H new ATOM 0 HD11 LEU A 84 15.151 4.502 -1.425 1.00 0.00 H new ATOM 0 HD12 LEU A 84 13.954 3.495 -2.274 1.00 0.00 H new ATOM 0 HD13 LEU A 84 15.409 4.059 -3.129 1.00 0.00 H new ATOM 0 HD21 LEU A 84 15.358 6.904 -1.949 1.00 0.00 H new ATOM 0 HD22 LEU A 84 15.624 6.554 -3.674 1.00 0.00 H new ATOM 0 HD23 LEU A 84 14.312 7.650 -3.180 1.00 0.00 H new ATOM 1368 N VAL A 85 14.329 2.660 -6.111 1.00 0.00 N ATOM 1369 CA VAL A 85 13.895 1.433 -6.768 1.00 0.00 C ATOM 1370 C VAL A 85 12.763 0.766 -5.995 1.00 0.00 C ATOM 1371 O VAL A 85 12.659 0.911 -4.776 1.00 0.00 O ATOM 1372 CB VAL A 85 15.058 0.434 -6.918 1.00 0.00 C ATOM 1373 CG1 VAL A 85 14.623 -0.960 -6.493 1.00 0.00 C ATOM 1374 CG2 VAL A 85 15.573 0.427 -8.350 1.00 0.00 C ATOM 0 H VAL A 85 15.268 2.616 -5.714 1.00 0.00 H new ATOM 0 HA VAL A 85 13.538 1.714 -7.759 1.00 0.00 H new ATOM 0 HB VAL A 85 15.871 0.750 -6.265 1.00 0.00 H new ATOM 0 HG11 VAL A 85 15.458 -1.652 -6.606 1.00 0.00 H new ATOM 0 HG12 VAL A 85 14.307 -0.940 -5.450 1.00 0.00 H new ATOM 0 HG13 VAL A 85 13.793 -1.288 -7.118 1.00 0.00 H new ATOM 0 HG21 VAL A 85 16.394 -0.284 -8.438 1.00 0.00 H new ATOM 0 HG22 VAL A 85 14.768 0.137 -9.025 1.00 0.00 H new ATOM 0 HG23 VAL A 85 15.926 1.424 -8.614 1.00 0.00 H new ATOM 1499 N PHE B 119 10.779 18.403 11.945 1.00 0.00 N ATOM 1500 CA PHE B 119 10.491 17.684 10.709 1.00 0.00 C ATOM 1501 C PHE B 119 9.694 16.414 10.992 1.00 0.00 C ATOM 1502 O PHE B 119 8.749 16.089 10.274 1.00 0.00 O ATOM 1503 CB PHE B 119 11.791 17.333 9.983 1.00 0.00 C ATOM 1504 CG PHE B 119 11.707 17.492 8.492 1.00 0.00 C ATOM 1505 CD1 PHE B 119 10.478 17.499 7.851 1.00 0.00 C ATOM 1506 CD2 PHE B 119 12.856 17.636 7.731 1.00 0.00 C ATOM 1507 CE1 PHE B 119 10.398 17.644 6.479 1.00 0.00 C ATOM 1508 CE2 PHE B 119 12.782 17.782 6.359 1.00 0.00 C ATOM 1509 CZ PHE B 119 11.551 17.787 5.732 1.00 0.00 C ATOM 0 HA PHE B 119 9.891 18.334 10.071 1.00 0.00 H new ATOM 0 HB2 PHE B 119 12.592 17.966 10.363 1.00 0.00 H new ATOM 0 HB3 PHE B 119 12.061 16.303 10.216 1.00 0.00 H new ATOM 0 HD1 PHE B 119 9.573 17.390 8.430 1.00 0.00 H new ATOM 0 HD2 PHE B 119 13.821 17.634 8.216 1.00 0.00 H new ATOM 0 HE1 PHE B 119 9.434 17.646 5.991 1.00 0.00 H new ATOM 0 HE2 PHE B 119 13.685 17.892 5.777 1.00 0.00 H new ATOM 0 HZ PHE B 119 11.490 17.902 4.660 1.00 0.00 H new ATOM 1519 N SER B 120 10.084 15.700 12.043 1.00 0.00 N ATOM 1520 CA SER B 120 9.410 14.462 12.419 1.00 0.00 C ATOM 1521 C SER B 120 7.899 14.665 12.483 1.00 0.00 C ATOM 1522 O SER B 120 7.129 13.831 12.007 1.00 0.00 O ATOM 1523 CB SER B 120 9.928 13.965 13.770 1.00 0.00 C ATOM 1524 OG SER B 120 9.965 12.549 13.812 1.00 0.00 O ATOM 0 H SER B 120 10.863 15.957 12.649 1.00 0.00 H new ATOM 0 HA SER B 120 9.626 13.713 11.658 1.00 0.00 H new ATOM 0 HB2 SER B 120 10.927 14.364 13.949 1.00 0.00 H new ATOM 0 HB3 SER B 120 9.287 14.339 14.569 1.00 0.00 H new ATOM 0 HG SER B 120 10.301 12.256 14.685 1.00 0.00 H new ATOM 1530 N ASP B 121 7.483 15.779 13.076 1.00 0.00 N ATOM 1531 CA ASP B 121 6.065 16.093 13.203 1.00 0.00 C ATOM 1532 C ASP B 121 5.352 15.940 11.863 1.00 0.00 C ATOM 1533 O ASP B 121 4.480 15.084 11.705 1.00 0.00 O ATOM 1534 CB ASP B 121 5.881 17.516 13.733 1.00 0.00 C ATOM 1535 CG ASP B 121 4.429 17.846 14.015 1.00 0.00 C ATOM 1536 OD1 ASP B 121 3.594 17.675 13.103 1.00 0.00 O ATOM 1537 OD2 ASP B 121 4.127 18.276 15.148 1.00 0.00 O ATOM 0 H ASP B 121 8.108 16.479 13.476 1.00 0.00 H new ATOM 0 HA ASP B 121 5.625 15.390 13.911 1.00 0.00 H new ATOM 0 HB2 ASP B 121 6.462 17.638 14.647 1.00 0.00 H new ATOM 0 HB3 ASP B 121 6.277 18.225 13.006 1.00 0.00 H new ATOM 1542 N LEU B 122 5.728 16.775 10.900 1.00 0.00 N ATOM 1543 CA LEU B 122 5.124 16.733 9.573 1.00 0.00 C ATOM 1544 C LEU B 122 5.694 15.581 8.751 1.00 0.00 C ATOM 1545 O LEU B 122 4.955 14.720 8.276 1.00 0.00 O ATOM 1546 CB LEU B 122 5.356 18.058 8.844 1.00 0.00 C ATOM 1547 CG LEU B 122 5.310 19.317 9.710 1.00 0.00 C ATOM 1548 CD1 LEU B 122 6.549 20.168 9.482 1.00 0.00 C ATOM 1549 CD2 LEU B 122 4.049 20.119 9.419 1.00 0.00 C ATOM 0 H LEU B 122 6.448 17.489 11.013 1.00 0.00 H new ATOM 0 HA LEU B 122 4.052 16.574 9.693 1.00 0.00 H new ATOM 0 HB2 LEU B 122 6.328 18.014 8.353 1.00 0.00 H new ATOM 0 HB3 LEU B 122 4.606 18.154 8.059 1.00 0.00 H new ATOM 0 HG LEU B 122 5.291 19.014 10.757 1.00 0.00 H new ATOM 0 HD11 LEU B 122 6.498 21.060 10.107 1.00 0.00 H new ATOM 0 HD12 LEU B 122 7.438 19.593 9.742 1.00 0.00 H new ATOM 0 HD13 LEU B 122 6.600 20.462 8.434 1.00 0.00 H new ATOM 0 HD21 LEU B 122 4.033 21.012 10.044 1.00 0.00 H new ATOM 0 HD22 LEU B 122 4.038 20.411 8.369 1.00 0.00 H new ATOM 0 HD23 LEU B 122 3.172 19.509 9.635 1.00 0.00 H new ATOM 1561 N TRP B 123 7.012 15.572 8.590 1.00 0.00 N ATOM 1562 CA TRP B 123 7.682 14.525 7.828 1.00 0.00 C ATOM 1563 C TRP B 123 6.979 13.184 8.011 1.00 0.00 C ATOM 1564 O TRP B 123 6.575 12.545 7.039 1.00 0.00 O ATOM 1565 CB TRP B 123 9.146 14.409 8.256 1.00 0.00 C ATOM 1566 CG TRP B 123 9.997 13.668 7.271 1.00 0.00 C ATOM 1567 CD1 TRP B 123 10.693 12.514 7.493 1.00 0.00 C ATOM 1568 CD2 TRP B 123 10.243 14.030 5.908 1.00 0.00 C ATOM 1569 NE1 TRP B 123 11.357 12.138 6.351 1.00 0.00 N ATOM 1570 CE2 TRP B 123 11.096 13.051 5.364 1.00 0.00 C ATOM 1571 CE3 TRP B 123 9.824 15.086 5.093 1.00 0.00 C ATOM 1572 CZ2 TRP B 123 11.538 13.098 4.044 1.00 0.00 C ATOM 1573 CZ3 TRP B 123 10.263 15.131 3.784 1.00 0.00 C ATOM 1574 CH2 TRP B 123 11.112 14.142 3.269 1.00 0.00 C ATOM 0 H TRP B 123 7.638 16.278 8.977 1.00 0.00 H new ATOM 0 HA TRP B 123 7.640 14.796 6.773 1.00 0.00 H new ATOM 0 HB2 TRP B 123 9.555 15.409 8.399 1.00 0.00 H new ATOM 0 HB3 TRP B 123 9.196 13.904 9.220 1.00 0.00 H new ATOM 0 HD1 TRP B 123 10.718 11.976 8.429 1.00 0.00 H new ATOM 0 HE1 TRP B 123 11.949 11.313 6.254 1.00 0.00 H new ATOM 0 HE3 TRP B 123 9.169 15.853 5.480 1.00 0.00 H new ATOM 0 HZ2 TRP B 123 12.194 12.337 3.646 1.00 0.00 H new ATOM 0 HZ3 TRP B 123 9.946 15.943 3.146 1.00 0.00 H new ATOM 0 HH2 TRP B 123 11.436 14.205 2.241 1.00 0.00 H new ATOM 1585 N LYS B 124 6.834 12.763 9.262 1.00 0.00 N ATOM 1586 CA LYS B 124 6.178 11.499 9.574 1.00 0.00 C ATOM 1587 C LYS B 124 4.855 11.373 8.824 1.00 0.00 C ATOM 1588 O LYS B 124 4.550 10.324 8.255 1.00 0.00 O ATOM 1589 CB LYS B 124 5.935 11.384 11.080 1.00 0.00 C ATOM 1590 CG LYS B 124 7.179 11.017 11.871 1.00 0.00 C ATOM 1591 CD LYS B 124 6.938 11.117 13.368 1.00 0.00 C ATOM 1592 CE LYS B 124 7.862 10.192 14.144 1.00 0.00 C ATOM 1593 NZ LYS B 124 7.238 8.863 14.389 1.00 0.00 N ATOM 0 H LYS B 124 7.162 13.279 10.078 1.00 0.00 H new ATOM 0 HA LYS B 124 6.835 10.690 9.256 1.00 0.00 H new ATOM 0 HB2 LYS B 124 5.546 12.333 11.450 1.00 0.00 H new ATOM 0 HB3 LYS B 124 5.166 10.633 11.259 1.00 0.00 H new ATOM 0 HG2 LYS B 124 7.486 10.002 11.618 1.00 0.00 H new ATOM 0 HG3 LYS B 124 7.999 11.678 11.589 1.00 0.00 H new ATOM 0 HD2 LYS B 124 7.093 12.145 13.695 1.00 0.00 H new ATOM 0 HD3 LYS B 124 5.901 10.865 13.588 1.00 0.00 H new ATOM 0 HE2 LYS B 124 8.792 10.060 13.591 1.00 0.00 H new ATOM 0 HE3 LYS B 124 8.121 10.653 15.097 1.00 0.00 H new ATOM 0 HZ1 LYS B 124 7.899 8.262 14.921 1.00 0.00 H new ATOM 0 HZ2 LYS B 124 6.364 8.986 14.939 1.00 0.00 H new ATOM 0 HZ3 LYS B 124 7.014 8.411 13.479 1.00 0.00 H new ATOM 1607 N LEU B 125 4.075 12.448 8.825 1.00 0.00 N ATOM 1608 CA LEU B 125 2.786 12.459 8.143 1.00 0.00 C ATOM 1609 C LEU B 125 2.898 11.834 6.756 1.00 0.00 C ATOM 1610 O LEU B 125 1.919 11.318 6.215 1.00 0.00 O ATOM 1611 CB LEU B 125 2.259 13.890 8.029 1.00 0.00 C ATOM 1612 CG LEU B 125 0.738 14.044 7.992 1.00 0.00 C ATOM 1613 CD1 LEU B 125 0.300 15.226 8.843 1.00 0.00 C ATOM 1614 CD2 LEU B 125 0.254 14.210 6.558 1.00 0.00 C ATOM 0 H LEU B 125 4.313 13.324 9.291 1.00 0.00 H new ATOM 0 HA LEU B 125 2.086 11.867 8.733 1.00 0.00 H new ATOM 0 HB2 LEU B 125 2.642 14.465 8.872 1.00 0.00 H new ATOM 0 HB3 LEU B 125 2.672 14.337 7.124 1.00 0.00 H new ATOM 0 HG LEU B 125 0.290 13.140 8.404 1.00 0.00 H new ATOM 0 HD11 LEU B 125 -0.785 15.320 8.804 1.00 0.00 H new ATOM 0 HD12 LEU B 125 0.614 15.068 9.875 1.00 0.00 H new ATOM 0 HD13 LEU B 125 0.757 16.139 8.461 1.00 0.00 H new ATOM 0 HD21 LEU B 125 -0.831 14.318 6.550 1.00 0.00 H new ATOM 0 HD22 LEU B 125 0.710 15.098 6.120 1.00 0.00 H new ATOM 0 HD23 LEU B 125 0.535 13.333 5.975 1.00 0.00 H new ATOM 1626 N LEU B 126 4.097 11.881 6.187 1.00 0.00 N ATOM 1627 CA LEU B 126 4.339 11.317 4.864 1.00 0.00 C ATOM 1628 C LEU B 126 3.610 9.988 4.697 1.00 0.00 C ATOM 1629 O LEU B 126 3.589 9.147 5.596 1.00 0.00 O ATOM 1630 CB LEU B 126 5.839 11.122 4.637 1.00 0.00 C ATOM 1631 CG LEU B 126 6.583 12.303 4.013 1.00 0.00 C ATOM 1632 CD1 LEU B 126 6.678 12.137 2.505 1.00 0.00 C ATOM 1633 CD2 LEU B 126 5.894 13.613 4.365 1.00 0.00 C ATOM 0 H LEU B 126 4.917 12.304 6.621 1.00 0.00 H new ATOM 0 HA LEU B 126 3.954 12.017 4.122 1.00 0.00 H new ATOM 0 HB2 LEU B 126 6.304 10.891 5.595 1.00 0.00 H new ATOM 0 HB3 LEU B 126 5.979 10.251 3.997 1.00 0.00 H new ATOM 0 HG LEU B 126 7.594 12.327 4.419 1.00 0.00 H new ATOM 0 HD11 LEU B 126 7.211 12.987 2.078 1.00 0.00 H new ATOM 0 HD12 LEU B 126 7.216 11.218 2.273 1.00 0.00 H new ATOM 0 HD13 LEU B 126 5.675 12.087 2.081 1.00 0.00 H new ATOM 0 HD21 LEU B 126 6.437 14.443 3.913 1.00 0.00 H new ATOM 0 HD22 LEU B 126 4.872 13.599 3.987 1.00 0.00 H new ATOM 0 HD23 LEU B 126 5.879 13.737 5.448 1.00 0.00 H new