USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=20 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 51 MET CE :methyl -150:sc= -2.69 (180deg=-4.07!) USER MOD Set 1.2: A 67 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 39 MET CE :methyl -166:sc= -0.51 (180deg=-1.6!) USER MOD Set 2.2: A 44 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 26 THR OG1 : rot -120:sc= -4.28! USER MOD Set 3.2: A 28 LYS NZ :NH3+ -111:sc= -0.211 (180deg=-2.42!) USER MOD Set 4.1: A 16 HIS : no HE2:sc= -10.8! C(o=-13!,f=-16!) USER MOD Set 4.2: A 21 GLN : amide:sc= -2.19! K(o=-13!,f=-12) USER MOD Single : A 3 ASN : amide:sc= -0.141 X(o=-0.14,f=-0.0039) USER MOD Single : A 4 GLN : amide:sc= -2.3 X(o=-2.3,f=-2.5) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -153:sc= -1.95! (180deg=-4!) USER MOD Single : A 31 MET CE :methyl 173:sc= -9.96! (180deg=-10.5!) USER MOD Single : A 32 HIS : no HD1:sc= -0.0125 X(o=-0.012,f=-0.012) USER MOD Single : A 33 TYR OH : rot -159:sc= 0.514 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 TYR OH : rot 30:sc= -1.28 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -1.14 K(o=-1.1,f=-0.0099) USER MOD Single : A 46 GLN : amide:sc= -6.86! K(o=-6.9!,f=-1.4) USER MOD Single : A 47 GLN : amide:sc= -5.94! C(o=-5.9!,f=-1.2!) USER MOD Single : A 49 GLN : amide:sc= -0.568 K(o=-0.57,f=-3.8!) USER MOD Single : A 50 HIS : no HD1:sc= -9! C(o=-9!,f=-11!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 CYS SG : rot -38:sc= -3.92! USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0.0613 USER MOD Single : A 71 LYS NZ :NH3+ 143:sc= -4.02! (180deg=-6.65!) USER MOD Single : A 74 SER OG : rot 180:sc= -1.05 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl 176:sc= -6.5! (180deg=-7.01!) USER MOD Single : A 82 LYS NZ :NH3+ -158:sc= -1.8! (180deg=-2.75!) USER MOD Single : A 83 ASN : amide:sc= -8.67! C(o=-8.7!,f=-6.9!) 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 7.744 -0.839 0.225 1.00 0.00 N ATOM 38 CA ASN A 3 8.357 -1.052 -1.081 1.00 0.00 C ATOM 39 C ASN A 3 9.878 -1.098 -0.967 1.00 0.00 C ATOM 40 O ASN A 3 10.503 -0.153 -0.487 1.00 0.00 O ATOM 41 CB ASN A 3 7.941 0.057 -2.050 1.00 0.00 C ATOM 42 CG ASN A 3 7.511 -0.486 -3.399 1.00 0.00 C ATOM 43 OD1 ASN A 3 8.078 -0.130 -4.433 1.00 0.00 O ATOM 44 ND2 ASN A 3 6.505 -1.353 -3.395 1.00 0.00 N ATOM 0 HA ASN A 3 8.010 -2.011 -1.465 1.00 0.00 H new ATOM 0 HB2 ASN A 3 7.122 0.629 -1.614 1.00 0.00 H new ATOM 0 HB3 ASN A 3 8.774 0.747 -2.188 1.00 0.00 H new ATOM 0 HD21 ASN A 3 6.173 -1.753 -4.273 1.00 0.00 H new ATOM 0 HD22 ASN A 3 6.065 -1.619 -2.514 1.00 0.00 H new ATOM 51 N GLN A 4 10.466 -2.204 -1.412 1.00 0.00 N ATOM 52 CA GLN A 4 11.913 -2.373 -1.360 1.00 0.00 C ATOM 53 C GLN A 4 12.608 -1.417 -2.323 1.00 0.00 C ATOM 54 O GLN A 4 11.981 -0.864 -3.227 1.00 0.00 O ATOM 55 CB GLN A 4 12.292 -3.817 -1.694 1.00 0.00 C ATOM 56 CG GLN A 4 11.318 -4.845 -1.140 1.00 0.00 C ATOM 57 CD GLN A 4 10.857 -4.513 0.266 1.00 0.00 C ATOM 58 OE1 GLN A 4 11.619 -4.630 1.225 1.00 0.00 O ATOM 59 NE2 GLN A 4 9.603 -4.096 0.394 1.00 0.00 N ATOM 0 H GLN A 4 9.963 -2.996 -1.812 1.00 0.00 H new ATOM 0 HA GLN A 4 12.244 -2.143 -0.347 1.00 0.00 H new ATOM 0 HB2 GLN A 4 12.348 -3.928 -2.777 1.00 0.00 H new ATOM 0 HB3 GLN A 4 13.288 -4.023 -1.301 1.00 0.00 H new ATOM 0 HG2 GLN A 4 10.451 -4.909 -1.797 1.00 0.00 H new ATOM 0 HG3 GLN A 4 11.792 -5.827 -1.141 1.00 0.00 H new ATOM 0 HE21 GLN A 4 9.006 -4.014 -0.429 1.00 0.00 H new ATOM 0 HE22 GLN A 4 9.236 -3.858 1.316 1.00 0.00 H new ATOM 68 N VAL A 5 13.909 -1.226 -2.125 1.00 0.00 N ATOM 69 CA VAL A 5 14.690 -0.337 -2.977 1.00 0.00 C ATOM 70 C VAL A 5 16.141 -0.797 -3.068 1.00 0.00 C ATOM 71 O VAL A 5 16.556 -1.715 -2.361 1.00 0.00 O ATOM 72 CB VAL A 5 14.654 1.113 -2.457 1.00 0.00 C ATOM 73 CG1 VAL A 5 13.218 1.586 -2.292 1.00 0.00 C ATOM 74 CG2 VAL A 5 15.416 1.227 -1.145 1.00 0.00 C ATOM 0 H VAL A 5 14.444 -1.675 -1.382 1.00 0.00 H new ATOM 0 HA VAL A 5 14.239 -0.371 -3.969 1.00 0.00 H new ATOM 0 HB VAL A 5 15.140 1.756 -3.191 1.00 0.00 H new ATOM 0 HG11 VAL A 5 13.213 2.612 -1.924 1.00 0.00 H new ATOM 0 HG12 VAL A 5 12.708 1.543 -3.254 1.00 0.00 H new ATOM 0 HG13 VAL A 5 12.703 0.942 -1.579 1.00 0.00 H new ATOM 0 HG21 VAL A 5 15.380 2.258 -0.792 1.00 0.00 H new ATOM 0 HG22 VAL A 5 14.960 0.573 -0.402 1.00 0.00 H new ATOM 0 HG23 VAL A 5 16.454 0.932 -1.300 1.00 0.00 H new ATOM 84 N ARG A 6 16.906 -0.152 -3.942 1.00 0.00 N ATOM 85 CA ARG A 6 18.311 -0.496 -4.126 1.00 0.00 C ATOM 86 C ARG A 6 19.134 0.743 -4.467 1.00 0.00 C ATOM 87 O ARG A 6 19.438 1.017 -5.628 1.00 0.00 O ATOM 88 CB ARG A 6 18.462 -1.541 -5.233 1.00 0.00 C ATOM 89 CG ARG A 6 19.276 -2.756 -4.817 1.00 0.00 C ATOM 90 CD ARG A 6 19.592 -3.649 -6.007 1.00 0.00 C ATOM 91 NE ARG A 6 20.699 -4.559 -5.729 1.00 0.00 N ATOM 92 CZ ARG A 6 20.588 -5.638 -4.963 1.00 0.00 C ATOM 93 NH1 ARG A 6 19.426 -5.940 -4.400 1.00 0.00 N ATOM 94 NH2 ARG A 6 21.642 -6.418 -4.757 1.00 0.00 N ATOM 0 H ARG A 6 16.577 0.611 -4.534 1.00 0.00 H new ATOM 0 HA ARG A 6 18.682 -0.912 -3.189 1.00 0.00 H new ATOM 0 HB2 ARG A 6 17.472 -1.869 -5.549 1.00 0.00 H new ATOM 0 HB3 ARG A 6 18.935 -1.076 -6.098 1.00 0.00 H new ATOM 0 HG2 ARG A 6 20.205 -2.430 -4.349 1.00 0.00 H new ATOM 0 HG3 ARG A 6 18.725 -3.326 -4.069 1.00 0.00 H new ATOM 0 HD2 ARG A 6 18.706 -4.226 -6.273 1.00 0.00 H new ATOM 0 HD3 ARG A 6 19.839 -3.030 -6.869 1.00 0.00 H new ATOM 0 HE ARG A 6 21.607 -4.355 -6.146 1.00 0.00 H new ATOM 0 HH11 ARG A 6 18.614 -5.343 -4.555 1.00 0.00 H new ATOM 0 HH12 ARG A 6 19.344 -6.770 -3.812 1.00 0.00 H new ATOM 0 HH21 ARG A 6 22.538 -6.189 -5.187 1.00 0.00 H new ATOM 0 HH22 ARG A 6 21.556 -7.247 -4.168 1.00 0.00 H new ATOM 108 N PRO A 7 19.503 1.512 -3.431 1.00 0.00 N ATOM 109 CA PRO A 7 20.295 2.734 -3.595 1.00 0.00 C ATOM 110 C PRO A 7 21.731 2.442 -4.017 1.00 0.00 C ATOM 111 O PRO A 7 22.456 1.721 -3.331 1.00 0.00 O ATOM 112 CB PRO A 7 20.265 3.366 -2.201 1.00 0.00 C ATOM 113 CG PRO A 7 20.039 2.224 -1.272 1.00 0.00 C ATOM 114 CD PRO A 7 19.176 1.246 -2.020 1.00 0.00 C ATOM 0 HA PRO A 7 19.894 3.377 -4.378 1.00 0.00 H new ATOM 0 HB2 PRO A 7 21.201 3.878 -1.978 1.00 0.00 H new ATOM 0 HB3 PRO A 7 19.469 4.106 -2.119 1.00 0.00 H new ATOM 0 HG2 PRO A 7 20.984 1.766 -0.979 1.00 0.00 H new ATOM 0 HG3 PRO A 7 19.549 2.556 -0.357 1.00 0.00 H new ATOM 0 HD2 PRO A 7 19.402 0.216 -1.742 1.00 0.00 H new ATOM 0 HD3 PRO A 7 18.117 1.406 -1.816 1.00 0.00 H new ATOM 122 N LYS A 8 22.137 3.007 -5.149 1.00 0.00 N ATOM 123 CA LYS A 8 23.487 2.809 -5.662 1.00 0.00 C ATOM 124 C LYS A 8 24.490 3.670 -4.900 1.00 0.00 C ATOM 125 O LYS A 8 24.233 4.088 -3.770 1.00 0.00 O ATOM 126 CB LYS A 8 23.542 3.144 -7.154 1.00 0.00 C ATOM 127 CG LYS A 8 22.370 2.590 -7.945 1.00 0.00 C ATOM 128 CD LYS A 8 22.672 1.205 -8.494 1.00 0.00 C ATOM 129 CE LYS A 8 23.355 1.280 -9.851 1.00 0.00 C ATOM 130 NZ LYS A 8 23.007 0.116 -10.712 1.00 0.00 N ATOM 0 H LYS A 8 21.550 3.606 -5.729 1.00 0.00 H new ATOM 0 HA LYS A 8 23.752 1.761 -5.521 1.00 0.00 H new ATOM 0 HB2 LYS A 8 23.571 4.227 -7.274 1.00 0.00 H new ATOM 0 HB3 LYS A 8 24.469 2.752 -7.572 1.00 0.00 H new ATOM 0 HG2 LYS A 8 21.488 2.545 -7.306 1.00 0.00 H new ATOM 0 HG3 LYS A 8 22.134 3.265 -8.768 1.00 0.00 H new ATOM 0 HD2 LYS A 8 23.310 0.666 -7.794 1.00 0.00 H new ATOM 0 HD3 LYS A 8 21.746 0.638 -8.583 1.00 0.00 H new ATOM 0 HE2 LYS A 8 23.065 2.203 -10.353 1.00 0.00 H new ATOM 0 HE3 LYS A 8 24.435 1.319 -9.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 23.492 0.204 -11.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 23.307 -0.763 -10.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 21.979 0.093 -10.866 1.00 0.00 H new ATOM 144 N LEU A 9 25.633 3.932 -5.525 1.00 0.00 N ATOM 145 CA LEU A 9 26.674 4.744 -4.906 1.00 0.00 C ATOM 146 C LEU A 9 26.150 6.136 -4.567 1.00 0.00 C ATOM 147 O LEU A 9 26.129 6.554 -3.409 1.00 0.00 O ATOM 148 CB LEU A 9 27.883 4.854 -5.836 1.00 0.00 C ATOM 149 CG LEU A 9 28.654 6.174 -5.782 1.00 0.00 C ATOM 150 CD1 LEU A 9 29.265 6.379 -4.405 1.00 0.00 C ATOM 151 CD2 LEU A 9 29.732 6.206 -6.856 1.00 0.00 C ATOM 0 H LEU A 9 25.862 3.594 -6.460 1.00 0.00 H new ATOM 0 HA LEU A 9 26.979 4.256 -3.980 1.00 0.00 H new ATOM 0 HB2 LEU A 9 28.573 4.044 -5.600 1.00 0.00 H new ATOM 0 HB3 LEU A 9 27.544 4.696 -6.860 1.00 0.00 H new ATOM 0 HG LEU A 9 27.955 6.989 -5.972 1.00 0.00 H new ATOM 0 HD11 LEU A 9 29.810 7.323 -4.385 1.00 0.00 H new ATOM 0 HD12 LEU A 9 28.474 6.401 -3.655 1.00 0.00 H new ATOM 0 HD13 LEU A 9 29.950 5.560 -4.185 1.00 0.00 H new ATOM 0 HD21 LEU A 9 30.270 7.152 -6.803 1.00 0.00 H new ATOM 0 HD22 LEU A 9 30.428 5.383 -6.697 1.00 0.00 H new ATOM 0 HD23 LEU A 9 29.270 6.106 -7.838 1.00 0.00 H new ATOM 163 N PRO A 10 25.715 6.872 -5.601 1.00 0.00 N ATOM 164 CA PRO A 10 25.180 8.227 -5.438 1.00 0.00 C ATOM 165 C PRO A 10 23.827 8.235 -4.735 1.00 0.00 C ATOM 166 O PRO A 10 23.301 9.295 -4.390 1.00 0.00 O ATOM 167 CB PRO A 10 25.038 8.728 -6.877 1.00 0.00 C ATOM 168 CG PRO A 10 24.889 7.492 -7.695 1.00 0.00 C ATOM 169 CD PRO A 10 25.711 6.438 -7.008 1.00 0.00 C ATOM 0 HA PRO A 10 25.826 8.848 -4.818 1.00 0.00 H new ATOM 0 HB2 PRO A 10 24.172 9.381 -6.985 1.00 0.00 H new ATOM 0 HB3 PRO A 10 25.912 9.303 -7.184 1.00 0.00 H new ATOM 0 HG2 PRO A 10 23.843 7.191 -7.759 1.00 0.00 H new ATOM 0 HG3 PRO A 10 25.237 7.655 -8.715 1.00 0.00 H new ATOM 0 HD2 PRO A 10 25.271 5.447 -7.122 1.00 0.00 H new ATOM 0 HD3 PRO A 10 26.721 6.387 -7.416 1.00 0.00 H new ATOM 177 N LEU A 11 23.266 7.049 -4.527 1.00 0.00 N ATOM 178 CA LEU A 11 21.973 6.920 -3.864 1.00 0.00 C ATOM 179 C LEU A 11 22.142 6.418 -2.434 1.00 0.00 C ATOM 180 O LEU A 11 21.274 6.626 -1.585 1.00 0.00 O ATOM 181 CB LEU A 11 21.070 5.966 -4.648 1.00 0.00 C ATOM 182 CG LEU A 11 19.715 6.528 -5.080 1.00 0.00 C ATOM 183 CD1 LEU A 11 19.849 7.301 -6.383 1.00 0.00 C ATOM 184 CD2 LEU A 11 18.694 5.409 -5.224 1.00 0.00 C ATOM 0 H LEU A 11 23.686 6.163 -4.808 1.00 0.00 H new ATOM 0 HA LEU A 11 21.509 7.906 -3.831 1.00 0.00 H new ATOM 0 HB2 LEU A 11 21.606 5.640 -5.539 1.00 0.00 H new ATOM 0 HB3 LEU A 11 20.896 5.079 -4.038 1.00 0.00 H new ATOM 0 HG LEU A 11 19.365 7.214 -4.308 1.00 0.00 H new ATOM 0 HD11 LEU A 11 18.875 7.694 -6.675 1.00 0.00 H new ATOM 0 HD12 LEU A 11 20.547 8.127 -6.246 1.00 0.00 H new ATOM 0 HD13 LEU A 11 20.221 6.637 -7.163 1.00 0.00 H new ATOM 0 HD21 LEU A 11 17.736 5.828 -5.532 1.00 0.00 H new ATOM 0 HD22 LEU A 11 19.037 4.698 -5.975 1.00 0.00 H new ATOM 0 HD23 LEU A 11 18.576 4.899 -4.268 1.00 0.00 H new ATOM 196 N LEU A 12 23.264 5.757 -2.173 1.00 0.00 N ATOM 197 CA LEU A 12 23.549 5.227 -0.844 1.00 0.00 C ATOM 198 C LEU A 12 23.996 6.337 0.101 1.00 0.00 C ATOM 199 O LEU A 12 23.437 6.508 1.185 1.00 0.00 O ATOM 200 CB LEU A 12 24.628 4.145 -0.925 1.00 0.00 C ATOM 201 CG LEU A 12 24.908 3.379 0.368 1.00 0.00 C ATOM 202 CD1 LEU A 12 23.610 3.071 1.098 1.00 0.00 C ATOM 203 CD2 LEU A 12 25.673 2.097 0.073 1.00 0.00 C ATOM 0 H LEU A 12 23.992 5.575 -2.864 1.00 0.00 H new ATOM 0 HA LEU A 12 22.632 4.788 -0.451 1.00 0.00 H new ATOM 0 HB2 LEU A 12 24.338 3.428 -1.693 1.00 0.00 H new ATOM 0 HB3 LEU A 12 25.556 4.610 -1.257 1.00 0.00 H new ATOM 0 HG LEU A 12 25.524 4.006 1.013 1.00 0.00 H new ATOM 0 HD11 LEU A 12 23.829 2.525 2.016 1.00 0.00 H new ATOM 0 HD12 LEU A 12 23.100 4.003 1.343 1.00 0.00 H new ATOM 0 HD13 LEU A 12 22.969 2.464 0.459 1.00 0.00 H new ATOM 0 HD21 LEU A 12 25.864 1.565 1.005 1.00 0.00 H new ATOM 0 HD22 LEU A 12 25.083 1.466 -0.591 1.00 0.00 H new ATOM 0 HD23 LEU A 12 26.621 2.341 -0.406 1.00 0.00 H new ATOM 215 N LYS A 13 25.006 7.092 -0.317 1.00 0.00 N ATOM 216 CA LYS A 13 25.527 8.190 0.489 1.00 0.00 C ATOM 217 C LYS A 13 24.406 9.131 0.916 1.00 0.00 C ATOM 218 O LYS A 13 24.486 9.771 1.965 1.00 0.00 O ATOM 219 CB LYS A 13 26.588 8.966 -0.294 1.00 0.00 C ATOM 220 CG LYS A 13 26.008 9.992 -1.252 1.00 0.00 C ATOM 221 CD LYS A 13 26.079 11.396 -0.675 1.00 0.00 C ATOM 222 CE LYS A 13 27.191 12.208 -1.320 1.00 0.00 C ATOM 223 NZ LYS A 13 28.518 11.914 -0.712 1.00 0.00 N ATOM 0 H LYS A 13 25.481 6.963 -1.211 1.00 0.00 H new ATOM 0 HA LYS A 13 25.982 7.766 1.384 1.00 0.00 H new ATOM 0 HB2 LYS A 13 27.249 9.472 0.410 1.00 0.00 H new ATOM 0 HB3 LYS A 13 27.200 8.261 -0.857 1.00 0.00 H new ATOM 0 HG2 LYS A 13 26.552 9.958 -2.196 1.00 0.00 H new ATOM 0 HG3 LYS A 13 24.971 9.740 -1.472 1.00 0.00 H new ATOM 0 HD2 LYS A 13 25.125 11.901 -0.825 1.00 0.00 H new ATOM 0 HD3 LYS A 13 26.245 11.340 0.401 1.00 0.00 H new ATOM 0 HE2 LYS A 13 27.225 11.992 -2.388 1.00 0.00 H new ATOM 0 HE3 LYS A 13 26.972 13.271 -1.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 29.249 12.488 -1.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 28.494 12.144 0.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 28.740 10.905 -0.833 1.00 0.00 H new ATOM 237 N ILE A 14 23.361 9.209 0.099 1.00 0.00 N ATOM 238 CA ILE A 14 22.223 10.071 0.394 1.00 0.00 C ATOM 239 C ILE A 14 21.518 9.631 1.673 1.00 0.00 C ATOM 240 O ILE A 14 21.334 10.424 2.597 1.00 0.00 O ATOM 241 CB ILE A 14 21.206 10.077 -0.763 1.00 0.00 C ATOM 242 CG1 ILE A 14 21.923 10.276 -2.100 1.00 0.00 C ATOM 243 CG2 ILE A 14 20.165 11.164 -0.546 1.00 0.00 C ATOM 244 CD1 ILE A 14 21.007 10.729 -3.215 1.00 0.00 C ATOM 0 H ILE A 14 23.279 8.686 -0.773 1.00 0.00 H new ATOM 0 HA ILE A 14 22.616 11.079 0.526 1.00 0.00 H new ATOM 0 HB ILE A 14 20.697 9.113 -0.786 1.00 0.00 H new ATOM 0 HG12 ILE A 14 22.717 11.012 -1.971 1.00 0.00 H new ATOM 0 HG13 ILE A 14 22.400 9.340 -2.390 1.00 0.00 H new ATOM 0 HG21 ILE A 14 19.453 11.156 -1.371 1.00 0.00 H new ATOM 0 HG22 ILE A 14 19.637 10.981 0.390 1.00 0.00 H new ATOM 0 HG23 ILE A 14 20.657 12.135 -0.501 1.00 0.00 H new ATOM 0 HD11 ILE A 14 21.583 10.850 -4.133 1.00 0.00 H new ATOM 0 HD12 ILE A 14 20.228 9.983 -3.371 1.00 0.00 H new ATOM 0 HD13 ILE A 14 20.550 11.681 -2.946 1.00 0.00 H new ATOM 256 N LEU A 15 21.129 8.362 1.721 1.00 0.00 N ATOM 257 CA LEU A 15 20.445 7.814 2.888 1.00 0.00 C ATOM 258 C LEU A 15 21.401 7.691 4.070 1.00 0.00 C ATOM 259 O LEU A 15 21.011 7.891 5.220 1.00 0.00 O ATOM 260 CB LEU A 15 19.845 6.447 2.557 1.00 0.00 C ATOM 261 CG LEU A 15 19.308 6.276 1.136 1.00 0.00 C ATOM 262 CD1 LEU A 15 18.565 4.955 1.001 1.00 0.00 C ATOM 263 CD2 LEU A 15 18.401 7.440 0.765 1.00 0.00 C ATOM 0 H LEU A 15 21.275 7.693 0.965 1.00 0.00 H new ATOM 0 HA LEU A 15 19.642 8.498 3.163 1.00 0.00 H new ATOM 0 HB2 LEU A 15 20.607 5.687 2.730 1.00 0.00 H new ATOM 0 HB3 LEU A 15 19.033 6.250 3.257 1.00 0.00 H new ATOM 0 HG LEU A 15 20.153 6.266 0.448 1.00 0.00 H new ATOM 0 HD11 LEU A 15 18.190 4.851 -0.017 1.00 0.00 H new ATOM 0 HD12 LEU A 15 19.243 4.132 1.224 1.00 0.00 H new ATOM 0 HD13 LEU A 15 17.729 4.935 1.700 1.00 0.00 H new ATOM 0 HD21 LEU A 15 18.028 7.301 -0.250 1.00 0.00 H new ATOM 0 HD22 LEU A 15 17.561 7.482 1.458 1.00 0.00 H new ATOM 0 HD23 LEU A 15 18.964 8.372 0.821 1.00 0.00 H new ATOM 275 N HIS A 16 22.656 7.361 3.778 1.00 0.00 N ATOM 276 CA HIS A 16 23.669 7.214 4.817 1.00 0.00 C ATOM 277 C HIS A 16 23.838 8.513 5.599 1.00 0.00 C ATOM 278 O HIS A 16 23.826 8.514 6.829 1.00 0.00 O ATOM 279 CB HIS A 16 25.005 6.798 4.201 1.00 0.00 C ATOM 280 CG HIS A 16 25.090 5.336 3.886 1.00 0.00 C ATOM 281 ND1 HIS A 16 26.244 4.728 3.439 1.00 0.00 N ATOM 282 CD2 HIS A 16 24.155 4.359 3.957 1.00 0.00 C ATOM 283 CE1 HIS A 16 26.016 3.441 3.247 1.00 0.00 C ATOM 284 NE2 HIS A 16 24.756 3.191 3.555 1.00 0.00 N ATOM 0 H HIS A 16 22.995 7.191 2.831 1.00 0.00 H new ATOM 0 HA HIS A 16 23.338 6.437 5.506 1.00 0.00 H new ATOM 0 HB2 HIS A 16 25.167 7.368 3.286 1.00 0.00 H new ATOM 0 HB3 HIS A 16 25.810 7.061 4.888 1.00 0.00 H new ATOM 0 HD1 HIS A 16 27.135 5.199 3.281 1.00 0.00 H new ATOM 0 HD2 HIS A 16 23.128 4.476 4.271 1.00 0.00 H new ATOM 0 HE1 HIS A 16 26.737 2.717 2.898 1.00 0.00 H new ATOM 292 N ALA A 17 23.996 9.617 4.876 1.00 0.00 N ATOM 293 CA ALA A 17 24.167 10.922 5.502 1.00 0.00 C ATOM 294 C ALA A 17 22.970 11.270 6.380 1.00 0.00 C ATOM 295 O ALA A 17 23.038 12.182 7.205 1.00 0.00 O ATOM 296 CB ALA A 17 24.375 11.993 4.441 1.00 0.00 C ATOM 0 H ALA A 17 24.009 9.633 3.856 1.00 0.00 H new ATOM 0 HA ALA A 17 25.051 10.880 6.138 1.00 0.00 H new ATOM 0 HB1 ALA A 17 24.501 12.963 4.923 1.00 0.00 H new ATOM 0 HB2 ALA A 17 25.265 11.759 3.857 1.00 0.00 H new ATOM 0 HB3 ALA A 17 23.507 12.026 3.782 1.00 0.00 H new ATOM 302 N ALA A 18 21.875 10.540 6.197 1.00 0.00 N ATOM 303 CA ALA A 18 20.664 10.771 6.974 1.00 0.00 C ATOM 304 C ALA A 18 20.578 9.811 8.156 1.00 0.00 C ATOM 305 O ALA A 18 19.507 9.609 8.727 1.00 0.00 O ATOM 306 CB ALA A 18 19.434 10.632 6.088 1.00 0.00 C ATOM 0 H ALA A 18 21.802 9.783 5.517 1.00 0.00 H new ATOM 0 HA ALA A 18 20.703 11.787 7.367 1.00 0.00 H new ATOM 0 HB1 ALA A 18 18.537 10.807 6.681 1.00 0.00 H new ATOM 0 HB2 ALA A 18 19.483 11.362 5.280 1.00 0.00 H new ATOM 0 HB3 ALA A 18 19.400 9.627 5.667 1.00 0.00 H new ATOM 312 N GLY A 19 21.714 9.222 8.518 1.00 0.00 N ATOM 313 CA GLY A 19 21.744 8.290 9.630 1.00 0.00 C ATOM 314 C GLY A 19 21.515 6.857 9.191 1.00 0.00 C ATOM 315 O GLY A 19 21.511 5.942 10.014 1.00 0.00 O ATOM 0 H GLY A 19 22.613 9.374 8.061 1.00 0.00 H new ATOM 0 HA2 GLY A 19 22.707 8.363 10.135 1.00 0.00 H new ATOM 0 HA3 GLY A 19 20.981 8.571 10.356 1.00 0.00 H new ATOM 319 N ALA A 20 21.321 6.662 7.891 1.00 0.00 N ATOM 320 CA ALA A 20 21.090 5.330 7.345 1.00 0.00 C ATOM 321 C ALA A 20 22.394 4.549 7.232 1.00 0.00 C ATOM 322 O ALA A 20 23.469 5.073 7.524 1.00 0.00 O ATOM 323 CB ALA A 20 20.411 5.427 5.987 1.00 0.00 C ATOM 0 H ALA A 20 21.319 7.409 7.196 1.00 0.00 H new ATOM 0 HA ALA A 20 20.434 4.793 8.030 1.00 0.00 H new ATOM 0 HB1 ALA A 20 20.245 4.425 5.591 1.00 0.00 H new ATOM 0 HB2 ALA A 20 19.454 5.938 6.094 1.00 0.00 H new ATOM 0 HB3 ALA A 20 21.047 5.987 5.301 1.00 0.00 H new ATOM 329 N GLN A 21 22.292 3.294 6.806 1.00 0.00 N ATOM 330 CA GLN A 21 23.465 2.441 6.655 1.00 0.00 C ATOM 331 C GLN A 21 23.065 1.037 6.216 1.00 0.00 C ATOM 332 O GLN A 21 22.396 0.312 6.952 1.00 0.00 O ATOM 333 CB GLN A 21 24.245 2.374 7.970 1.00 0.00 C ATOM 334 CG GLN A 21 25.753 2.413 7.785 1.00 0.00 C ATOM 335 CD GLN A 21 26.326 3.807 7.953 1.00 0.00 C ATOM 336 OE1 GLN A 21 27.138 4.054 8.845 1.00 0.00 O ATOM 337 NE2 GLN A 21 25.905 4.728 7.094 1.00 0.00 N ATOM 0 H GLN A 21 21.410 2.846 6.559 1.00 0.00 H new ATOM 0 HA GLN A 21 24.102 2.875 5.884 1.00 0.00 H new ATOM 0 HB2 GLN A 21 23.943 3.207 8.605 1.00 0.00 H new ATOM 0 HB3 GLN A 21 23.975 1.459 8.497 1.00 0.00 H new ATOM 0 HG2 GLN A 21 26.221 1.743 8.506 1.00 0.00 H new ATOM 0 HG3 GLN A 21 26.003 2.039 6.792 1.00 0.00 H new ATOM 0 HE21 GLN A 21 25.231 4.480 6.370 1.00 0.00 H new ATOM 0 HE22 GLN A 21 26.256 5.684 7.158 1.00 0.00 H new ATOM 346 N GLY A 22 23.478 0.659 5.010 1.00 0.00 N ATOM 347 CA GLY A 22 23.152 -0.657 4.493 1.00 0.00 C ATOM 348 C GLY A 22 23.212 -0.717 2.979 1.00 0.00 C ATOM 349 O GLY A 22 23.949 0.042 2.351 1.00 0.00 O ATOM 0 H GLY A 22 24.033 1.241 4.382 1.00 0.00 H new ATOM 0 HA2 GLY A 22 23.843 -1.389 4.910 1.00 0.00 H new ATOM 0 HA3 GLY A 22 22.152 -0.937 4.825 1.00 0.00 H new ATOM 353 N GLU A 23 22.436 -1.623 2.393 1.00 0.00 N ATOM 354 CA GLU A 23 22.407 -1.780 0.943 1.00 0.00 C ATOM 355 C GLU A 23 20.974 -1.739 0.420 1.00 0.00 C ATOM 356 O GLU A 23 20.704 -1.170 -0.637 1.00 0.00 O ATOM 357 CB GLU A 23 23.073 -3.096 0.537 1.00 0.00 C ATOM 358 CG GLU A 23 24.588 -3.072 0.650 1.00 0.00 C ATOM 359 CD GLU A 23 25.203 -4.454 0.551 1.00 0.00 C ATOM 360 OE1 GLU A 23 24.455 -5.419 0.291 1.00 0.00 O ATOM 361 OE2 GLU A 23 26.433 -4.570 0.733 1.00 0.00 O ATOM 0 H GLU A 23 21.820 -2.259 2.899 1.00 0.00 H new ATOM 0 HA GLU A 23 22.960 -0.951 0.502 1.00 0.00 H new ATOM 0 HB2 GLU A 23 22.683 -3.899 1.163 1.00 0.00 H new ATOM 0 HB3 GLU A 23 22.797 -3.331 -0.491 1.00 0.00 H new ATOM 0 HG2 GLU A 23 24.997 -2.439 -0.138 1.00 0.00 H new ATOM 0 HG3 GLU A 23 24.870 -2.620 1.601 1.00 0.00 H new ATOM 368 N MET A 24 20.060 -2.348 1.168 1.00 0.00 N ATOM 369 CA MET A 24 18.655 -2.382 0.781 1.00 0.00 C ATOM 370 C MET A 24 17.791 -1.648 1.802 1.00 0.00 C ATOM 371 O MET A 24 18.170 -1.512 2.966 1.00 0.00 O ATOM 372 CB MET A 24 18.177 -3.828 0.638 1.00 0.00 C ATOM 373 CG MET A 24 19.252 -4.776 0.131 1.00 0.00 C ATOM 374 SD MET A 24 20.038 -4.188 -1.382 1.00 0.00 S ATOM 375 CE MET A 24 21.517 -5.198 -1.409 1.00 0.00 C ATOM 0 H MET A 24 20.267 -2.825 2.046 1.00 0.00 H new ATOM 0 HA MET A 24 18.558 -1.878 -0.181 1.00 0.00 H new ATOM 0 HB2 MET A 24 17.819 -4.181 1.605 1.00 0.00 H new ATOM 0 HB3 MET A 24 17.328 -3.856 -0.045 1.00 0.00 H new ATOM 0 HG2 MET A 24 20.010 -4.906 0.903 1.00 0.00 H new ATOM 0 HG3 MET A 24 18.811 -5.756 -0.050 1.00 0.00 H new ATOM 0 HE1 MET A 24 22.306 -4.674 -1.949 1.00 0.00 H new ATOM 0 HE2 MET A 24 21.844 -5.392 -0.387 1.00 0.00 H new ATOM 0 HE3 MET A 24 21.303 -6.144 -1.907 1.00 0.00 H new ATOM 385 N PHE A 25 16.631 -1.176 1.359 1.00 0.00 N ATOM 386 CA PHE A 25 15.715 -0.455 2.235 1.00 0.00 C ATOM 387 C PHE A 25 14.310 -0.415 1.639 1.00 0.00 C ATOM 388 O PHE A 25 14.133 -0.550 0.428 1.00 0.00 O ATOM 389 CB PHE A 25 16.219 0.970 2.474 1.00 0.00 C ATOM 390 CG PHE A 25 17.618 1.027 3.017 1.00 0.00 C ATOM 391 CD1 PHE A 25 18.710 0.923 2.170 1.00 0.00 C ATOM 392 CD2 PHE A 25 17.842 1.185 4.375 1.00 0.00 C ATOM 393 CE1 PHE A 25 19.998 0.974 2.668 1.00 0.00 C ATOM 394 CE2 PHE A 25 19.128 1.237 4.879 1.00 0.00 C ATOM 395 CZ PHE A 25 20.208 1.133 4.024 1.00 0.00 C ATOM 0 H PHE A 25 16.303 -1.280 0.399 1.00 0.00 H new ATOM 0 HA PHE A 25 15.672 -0.983 3.188 1.00 0.00 H new ATOM 0 HB2 PHE A 25 16.179 1.523 1.536 1.00 0.00 H new ATOM 0 HB3 PHE A 25 15.547 1.473 3.169 1.00 0.00 H new ATOM 0 HD1 PHE A 25 18.553 0.801 1.109 1.00 0.00 H new ATOM 0 HD2 PHE A 25 17.002 1.269 5.048 1.00 0.00 H new ATOM 0 HE1 PHE A 25 20.840 0.890 1.997 1.00 0.00 H new ATOM 0 HE2 PHE A 25 19.288 1.359 5.940 1.00 0.00 H new ATOM 0 HZ PHE A 25 21.214 1.176 4.415 1.00 0.00 H new ATOM 405 N THR A 26 13.314 -0.230 2.499 1.00 0.00 N ATOM 406 CA THR A 26 11.925 -0.175 2.060 1.00 0.00 C ATOM 407 C THR A 26 11.514 1.252 1.717 1.00 0.00 C ATOM 408 O THR A 26 12.335 2.169 1.740 1.00 0.00 O ATOM 409 CB THR A 26 10.973 -0.727 3.138 1.00 0.00 C ATOM 410 OG1 THR A 26 11.552 -0.558 4.436 1.00 0.00 O ATOM 411 CG2 THR A 26 10.677 -2.199 2.896 1.00 0.00 C ATOM 0 H THR A 26 13.443 -0.116 3.504 1.00 0.00 H new ATOM 0 HA THR A 26 11.850 -0.796 1.168 1.00 0.00 H new ATOM 0 HB THR A 26 10.037 -0.171 3.084 1.00 0.00 H new ATOM 0 HG1 THR A 26 11.658 -1.433 4.863 1.00 0.00 H new ATOM 0 HG21 THR A 26 10.003 -2.567 3.670 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.209 -2.320 1.919 1.00 0.00 H new ATOM 0 HG23 THR A 26 11.607 -2.767 2.925 1.00 0.00 H new ATOM 419 N VAL A 27 10.236 1.434 1.398 1.00 0.00 N ATOM 420 CA VAL A 27 9.715 2.751 1.052 1.00 0.00 C ATOM 421 C VAL A 27 9.816 3.711 2.232 1.00 0.00 C ATOM 422 O VAL A 27 10.368 4.805 2.112 1.00 0.00 O ATOM 423 CB VAL A 27 8.246 2.671 0.595 1.00 0.00 C ATOM 424 CG1 VAL A 27 7.386 2.024 1.670 1.00 0.00 C ATOM 425 CG2 VAL A 27 7.722 4.055 0.242 1.00 0.00 C ATOM 0 H VAL A 27 9.543 0.686 1.372 1.00 0.00 H new ATOM 0 HA VAL A 27 10.325 3.126 0.230 1.00 0.00 H new ATOM 0 HB VAL A 27 8.195 2.049 -0.299 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.352 1.976 1.329 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.749 1.016 1.869 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.440 2.616 2.584 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.683 3.980 -0.079 1.00 0.00 H new ATOM 0 HG22 VAL A 27 7.786 4.702 1.117 1.00 0.00 H new ATOM 0 HG23 VAL A 27 8.321 4.476 -0.565 1.00 0.00 H new ATOM 435 N LYS A 28 9.281 3.294 3.374 1.00 0.00 N ATOM 436 CA LYS A 28 9.312 4.114 4.579 1.00 0.00 C ATOM 437 C LYS A 28 10.746 4.343 5.045 1.00 0.00 C ATOM 438 O LYS A 28 11.047 5.351 5.682 1.00 0.00 O ATOM 439 CB LYS A 28 8.502 3.449 5.695 1.00 0.00 C ATOM 440 CG LYS A 28 8.448 1.935 5.588 1.00 0.00 C ATOM 441 CD LYS A 28 9.840 1.325 5.606 1.00 0.00 C ATOM 442 CE LYS A 28 9.867 0.023 6.391 1.00 0.00 C ATOM 443 NZ LYS A 28 9.101 -1.054 5.705 1.00 0.00 N ATOM 0 H LYS A 28 8.820 2.392 3.491 1.00 0.00 H new ATOM 0 HA LYS A 28 8.867 5.080 4.342 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.934 3.722 6.658 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.486 3.842 5.679 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.862 1.532 6.414 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.938 1.652 4.667 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.172 1.142 4.584 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.543 2.032 6.047 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.900 -0.297 6.528 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.450 0.189 7.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.244 -1.273 6.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.831 -0.735 4.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.692 -1.907 5.630 1.00 0.00 H new ATOM 457 N GLU A 29 11.626 3.401 4.721 1.00 0.00 N ATOM 458 CA GLU A 29 13.029 3.502 5.106 1.00 0.00 C ATOM 459 C GLU A 29 13.753 4.542 4.257 1.00 0.00 C ATOM 460 O GLU A 29 14.553 5.327 4.766 1.00 0.00 O ATOM 461 CB GLU A 29 13.718 2.143 4.965 1.00 0.00 C ATOM 462 CG GLU A 29 13.361 1.162 6.069 1.00 0.00 C ATOM 463 CD GLU A 29 13.903 1.582 7.421 1.00 0.00 C ATOM 464 OE1 GLU A 29 15.008 2.164 7.462 1.00 0.00 O ATOM 465 OE2 GLU A 29 13.224 1.328 8.438 1.00 0.00 O ATOM 0 H GLU A 29 11.393 2.560 4.193 1.00 0.00 H new ATOM 0 HA GLU A 29 13.071 3.817 6.149 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.450 1.707 4.003 1.00 0.00 H new ATOM 0 HB3 GLU A 29 14.798 2.292 4.958 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.277 1.068 6.130 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.752 0.177 5.815 1.00 0.00 H new ATOM 472 N VAL A 30 13.466 4.542 2.959 1.00 0.00 N ATOM 473 CA VAL A 30 14.089 5.485 2.038 1.00 0.00 C ATOM 474 C VAL A 30 13.563 6.899 2.261 1.00 0.00 C ATOM 475 O VAL A 30 14.308 7.873 2.156 1.00 0.00 O ATOM 476 CB VAL A 30 13.843 5.083 0.572 1.00 0.00 C ATOM 477 CG1 VAL A 30 14.434 6.120 -0.372 1.00 0.00 C ATOM 478 CG2 VAL A 30 14.423 3.705 0.293 1.00 0.00 C ATOM 0 H VAL A 30 12.806 3.899 2.522 1.00 0.00 H new ATOM 0 HA VAL A 30 15.160 5.463 2.238 1.00 0.00 H new ATOM 0 HB VAL A 30 12.767 5.041 0.400 1.00 0.00 H new ATOM 0 HG11 VAL A 30 14.251 5.819 -1.404 1.00 0.00 H new ATOM 0 HG12 VAL A 30 13.967 7.088 -0.188 1.00 0.00 H new ATOM 0 HG13 VAL A 30 15.508 6.197 -0.202 1.00 0.00 H new ATOM 0 HG21 VAL A 30 14.240 3.437 -0.748 1.00 0.00 H new ATOM 0 HG22 VAL A 30 15.497 3.717 0.481 1.00 0.00 H new ATOM 0 HG23 VAL A 30 13.949 2.972 0.945 1.00 0.00 H new ATOM 488 N MET A 31 12.274 7.003 2.570 1.00 0.00 N ATOM 489 CA MET A 31 11.649 8.298 2.810 1.00 0.00 C ATOM 490 C MET A 31 12.130 8.899 4.127 1.00 0.00 C ATOM 491 O MET A 31 12.440 10.088 4.202 1.00 0.00 O ATOM 492 CB MET A 31 10.125 8.158 2.826 1.00 0.00 C ATOM 493 CG MET A 31 9.472 8.764 4.057 1.00 0.00 C ATOM 494 SD MET A 31 9.667 10.555 4.136 1.00 0.00 S ATOM 495 CE MET A 31 9.654 10.974 2.395 1.00 0.00 C ATOM 0 H MET A 31 11.643 6.207 2.660 1.00 0.00 H new ATOM 0 HA MET A 31 11.937 8.968 1.999 1.00 0.00 H new ATOM 0 HB2 MET A 31 9.715 8.635 1.936 1.00 0.00 H new ATOM 0 HB3 MET A 31 9.865 7.101 2.770 1.00 0.00 H new ATOM 0 HG2 MET A 31 8.410 8.518 4.059 1.00 0.00 H new ATOM 0 HG3 MET A 31 9.905 8.315 4.951 1.00 0.00 H new ATOM 0 HE1 MET A 31 9.641 12.058 2.282 1.00 0.00 H new ATOM 0 HE2 MET A 31 10.546 10.570 1.917 1.00 0.00 H new ATOM 0 HE3 MET A 31 8.767 10.549 1.925 1.00 0.00 H new ATOM 505 N HIS A 32 12.189 8.069 5.164 1.00 0.00 N ATOM 506 CA HIS A 32 12.632 8.519 6.478 1.00 0.00 C ATOM 507 C HIS A 32 14.007 9.175 6.393 1.00 0.00 C ATOM 508 O HIS A 32 14.304 10.115 7.131 1.00 0.00 O ATOM 509 CB HIS A 32 12.675 7.344 7.455 1.00 0.00 C ATOM 510 CG HIS A 32 12.571 7.755 8.892 1.00 0.00 C ATOM 511 ND1 HIS A 32 11.567 7.316 9.729 1.00 0.00 N ATOM 512 CD2 HIS A 32 13.353 8.569 9.639 1.00 0.00 C ATOM 513 CE1 HIS A 32 11.736 7.843 10.929 1.00 0.00 C ATOM 514 NE2 HIS A 32 12.813 8.607 10.901 1.00 0.00 N ATOM 0 H HIS A 32 11.936 7.082 5.119 1.00 0.00 H new ATOM 0 HA HIS A 32 11.918 9.258 6.841 1.00 0.00 H new ATOM 0 HB2 HIS A 32 11.860 6.658 7.222 1.00 0.00 H new ATOM 0 HB3 HIS A 32 13.605 6.795 7.309 1.00 0.00 H new ATOM 0 HD2 HIS A 32 14.237 9.091 9.305 1.00 0.00 H new ATOM 0 HE1 HIS A 32 11.101 7.677 11.787 1.00 0.00 H new ATOM 0 HE2 HIS A 32 13.183 9.139 11.689 1.00 0.00 H new ATOM 522 N TYR A 33 14.841 8.674 5.489 1.00 0.00 N ATOM 523 CA TYR A 33 16.186 9.209 5.309 1.00 0.00 C ATOM 524 C TYR A 33 16.146 10.550 4.583 1.00 0.00 C ATOM 525 O TYR A 33 16.962 11.435 4.843 1.00 0.00 O ATOM 526 CB TYR A 33 17.051 8.219 4.528 1.00 0.00 C ATOM 527 CG TYR A 33 17.245 6.896 5.234 1.00 0.00 C ATOM 528 CD1 TYR A 33 17.518 6.846 6.595 1.00 0.00 C ATOM 529 CD2 TYR A 33 17.157 5.696 4.539 1.00 0.00 C ATOM 530 CE1 TYR A 33 17.697 5.640 7.244 1.00 0.00 C ATOM 531 CE2 TYR A 33 17.333 4.485 5.180 1.00 0.00 C ATOM 532 CZ TYR A 33 17.603 4.462 6.533 1.00 0.00 C ATOM 533 OH TYR A 33 17.780 3.258 7.175 1.00 0.00 O ATOM 0 H TYR A 33 14.610 7.898 4.869 1.00 0.00 H new ATOM 0 HA TYR A 33 16.623 9.363 6.295 1.00 0.00 H new ATOM 0 HB2 TYR A 33 16.594 8.038 3.555 1.00 0.00 H new ATOM 0 HB3 TYR A 33 18.026 8.669 4.343 1.00 0.00 H new ATOM 0 HD1 TYR A 33 17.592 7.766 7.156 1.00 0.00 H new ATOM 0 HD2 TYR A 33 16.947 5.710 3.480 1.00 0.00 H new ATOM 0 HE1 TYR A 33 17.909 5.620 8.303 1.00 0.00 H new ATOM 0 HE2 TYR A 33 17.260 3.561 4.625 1.00 0.00 H new ATOM 0 HH TYR A 33 18.015 2.569 6.519 1.00 0.00 H new ATOM 543 N LEU A 34 15.189 10.694 3.672 1.00 0.00 N ATOM 544 CA LEU A 34 15.040 11.927 2.908 1.00 0.00 C ATOM 545 C LEU A 34 15.020 13.141 3.831 1.00 0.00 C ATOM 546 O LEU A 34 15.846 14.044 3.705 1.00 0.00 O ATOM 547 CB LEU A 34 13.757 11.883 2.076 1.00 0.00 C ATOM 548 CG LEU A 34 13.941 11.855 0.558 1.00 0.00 C ATOM 549 CD1 LEU A 34 14.772 13.044 0.100 1.00 0.00 C ATOM 550 CD2 LEU A 34 14.590 10.549 0.124 1.00 0.00 C ATOM 0 H LEU A 34 14.505 9.972 3.445 1.00 0.00 H new ATOM 0 HA LEU A 34 15.896 12.017 2.239 1.00 0.00 H new ATOM 0 HB2 LEU A 34 13.188 11.001 2.369 1.00 0.00 H new ATOM 0 HB3 LEU A 34 13.152 12.752 2.332 1.00 0.00 H new ATOM 0 HG LEU A 34 12.959 11.922 0.090 1.00 0.00 H new ATOM 0 HD11 LEU A 34 14.893 13.008 -0.983 1.00 0.00 H new ATOM 0 HD12 LEU A 34 14.267 13.969 0.378 1.00 0.00 H new ATOM 0 HD13 LEU A 34 15.752 13.008 0.576 1.00 0.00 H new ATOM 0 HD21 LEU A 34 14.713 10.546 -0.959 1.00 0.00 H new ATOM 0 HD22 LEU A 34 15.565 10.451 0.601 1.00 0.00 H new ATOM 0 HD23 LEU A 34 13.957 9.712 0.419 1.00 0.00 H new ATOM 562 N GLY A 35 14.070 13.155 4.761 1.00 0.00 N ATOM 563 CA GLY A 35 13.960 14.262 5.693 1.00 0.00 C ATOM 564 C GLY A 35 15.259 14.532 6.427 1.00 0.00 C ATOM 565 O GLY A 35 15.701 15.677 6.517 1.00 0.00 O ATOM 0 H GLY A 35 13.375 12.419 4.886 1.00 0.00 H new ATOM 0 HA2 GLY A 35 13.658 15.159 5.153 1.00 0.00 H new ATOM 0 HA3 GLY A 35 13.175 14.047 6.417 1.00 0.00 H new ATOM 569 N GLN A 36 15.871 13.476 6.953 1.00 0.00 N ATOM 570 CA GLN A 36 17.125 13.606 7.685 1.00 0.00 C ATOM 571 C GLN A 36 18.219 14.181 6.791 1.00 0.00 C ATOM 572 O GLN A 36 19.024 15.004 7.229 1.00 0.00 O ATOM 573 CB GLN A 36 17.562 12.248 8.236 1.00 0.00 C ATOM 574 CG GLN A 36 16.624 11.690 9.294 1.00 0.00 C ATOM 575 CD GLN A 36 17.353 11.248 10.547 1.00 0.00 C ATOM 576 OE1 GLN A 36 17.417 10.058 10.855 1.00 0.00 O ATOM 577 NE2 GLN A 36 17.909 12.207 11.278 1.00 0.00 N ATOM 0 H GLN A 36 15.519 12.521 6.886 1.00 0.00 H new ATOM 0 HA GLN A 36 16.962 14.292 8.517 1.00 0.00 H new ATOM 0 HB2 GLN A 36 17.632 11.537 7.413 1.00 0.00 H new ATOM 0 HB3 GLN A 36 18.561 12.342 8.662 1.00 0.00 H new ATOM 0 HG2 GLN A 36 15.886 12.448 9.556 1.00 0.00 H new ATOM 0 HG3 GLN A 36 16.077 10.843 8.879 1.00 0.00 H new ATOM 0 HE21 GLN A 36 17.832 13.181 10.985 1.00 0.00 H new ATOM 0 HE22 GLN A 36 18.414 11.970 12.132 1.00 0.00 H new ATOM 586 N TYR A 37 18.244 13.742 5.537 1.00 0.00 N ATOM 587 CA TYR A 37 19.241 14.211 4.583 1.00 0.00 C ATOM 588 C TYR A 37 19.115 15.715 4.357 1.00 0.00 C ATOM 589 O TYR A 37 20.104 16.446 4.409 1.00 0.00 O ATOM 590 CB TYR A 37 19.092 13.471 3.253 1.00 0.00 C ATOM 591 CG TYR A 37 20.031 13.965 2.176 1.00 0.00 C ATOM 592 CD1 TYR A 37 21.383 13.645 2.205 1.00 0.00 C ATOM 593 CD2 TYR A 37 19.567 14.754 1.130 1.00 0.00 C ATOM 594 CE1 TYR A 37 22.245 14.095 1.223 1.00 0.00 C ATOM 595 CE2 TYR A 37 20.421 15.207 0.144 1.00 0.00 C ATOM 596 CZ TYR A 37 21.759 14.875 0.195 1.00 0.00 C ATOM 597 OH TYR A 37 22.614 15.326 -0.785 1.00 0.00 O ATOM 0 H TYR A 37 17.585 13.062 5.158 1.00 0.00 H new ATOM 0 HA TYR A 37 20.228 14.006 4.998 1.00 0.00 H new ATOM 0 HB2 TYR A 37 19.268 12.408 3.417 1.00 0.00 H new ATOM 0 HB3 TYR A 37 18.065 13.574 2.903 1.00 0.00 H new ATOM 0 HD1 TYR A 37 21.767 13.034 3.009 1.00 0.00 H new ATOM 0 HD2 TYR A 37 18.520 15.017 1.088 1.00 0.00 H new ATOM 0 HE1 TYR A 37 23.293 13.837 1.261 1.00 0.00 H new ATOM 0 HE2 TYR A 37 20.044 15.818 -0.663 1.00 0.00 H new ATOM 0 HH TYR A 37 23.343 14.682 -0.905 1.00 0.00 H new ATOM 607 N ILE A 38 17.891 16.168 4.108 1.00 0.00 N ATOM 608 CA ILE A 38 17.634 17.584 3.877 1.00 0.00 C ATOM 609 C ILE A 38 18.038 18.421 5.085 1.00 0.00 C ATOM 610 O ILE A 38 18.717 19.438 4.949 1.00 0.00 O ATOM 611 CB ILE A 38 16.149 17.842 3.561 1.00 0.00 C ATOM 612 CG1 ILE A 38 15.693 16.967 2.392 1.00 0.00 C ATOM 613 CG2 ILE A 38 15.922 19.314 3.248 1.00 0.00 C ATOM 614 CD1 ILE A 38 14.206 17.041 2.124 1.00 0.00 C ATOM 0 H ILE A 38 17.062 15.575 4.061 1.00 0.00 H new ATOM 0 HA ILE A 38 18.237 17.878 3.017 1.00 0.00 H new ATOM 0 HB ILE A 38 15.556 17.581 4.438 1.00 0.00 H new ATOM 0 HG12 ILE A 38 16.231 17.267 1.493 1.00 0.00 H new ATOM 0 HG13 ILE A 38 15.966 15.932 2.596 1.00 0.00 H new ATOM 0 HG21 ILE A 38 14.868 19.481 3.027 1.00 0.00 H new ATOM 0 HG22 ILE A 38 16.212 19.918 4.108 1.00 0.00 H new ATOM 0 HG23 ILE A 38 16.523 19.599 2.385 1.00 0.00 H new ATOM 0 HD11 ILE A 38 13.955 16.395 1.282 1.00 0.00 H new ATOM 0 HD12 ILE A 38 13.660 16.712 3.008 1.00 0.00 H new ATOM 0 HD13 ILE A 38 13.930 18.069 1.888 1.00 0.00 H new ATOM 626 N MET A 39 17.618 17.984 6.268 1.00 0.00 N ATOM 627 CA MET A 39 17.939 18.692 7.502 1.00 0.00 C ATOM 628 C MET A 39 19.444 18.696 7.750 1.00 0.00 C ATOM 629 O MET A 39 19.991 19.656 8.293 1.00 0.00 O ATOM 630 CB MET A 39 17.217 18.048 8.687 1.00 0.00 C ATOM 631 CG MET A 39 18.155 17.383 9.682 1.00 0.00 C ATOM 632 SD MET A 39 17.295 16.768 11.142 1.00 0.00 S ATOM 633 CE MET A 39 16.135 18.100 11.439 1.00 0.00 C ATOM 0 H MET A 39 17.055 17.143 6.398 1.00 0.00 H new ATOM 0 HA MET A 39 17.603 19.724 7.398 1.00 0.00 H new ATOM 0 HB2 MET A 39 16.633 18.810 9.204 1.00 0.00 H new ATOM 0 HB3 MET A 39 16.512 17.306 8.313 1.00 0.00 H new ATOM 0 HG2 MET A 39 18.670 16.556 9.193 1.00 0.00 H new ATOM 0 HG3 MET A 39 18.919 18.097 9.989 1.00 0.00 H new ATOM 0 HE1 MET A 39 15.706 17.994 12.436 1.00 0.00 H new ATOM 0 HE2 MET A 39 16.653 19.056 11.367 1.00 0.00 H new ATOM 0 HE3 MET A 39 15.339 18.061 10.696 1.00 0.00 H new ATOM 643 N VAL A 40 20.109 17.617 7.349 1.00 0.00 N ATOM 644 CA VAL A 40 21.551 17.498 7.527 1.00 0.00 C ATOM 645 C VAL A 40 22.300 18.451 6.603 1.00 0.00 C ATOM 646 O VAL A 40 23.307 19.045 6.989 1.00 0.00 O ATOM 647 CB VAL A 40 22.032 16.059 7.262 1.00 0.00 C ATOM 648 CG1 VAL A 40 22.797 15.985 5.949 1.00 0.00 C ATOM 649 CG2 VAL A 40 22.889 15.562 8.417 1.00 0.00 C ATOM 0 H VAL A 40 19.672 16.813 6.899 1.00 0.00 H new ATOM 0 HA VAL A 40 21.764 17.760 8.563 1.00 0.00 H new ATOM 0 HB VAL A 40 21.159 15.411 7.183 1.00 0.00 H new ATOM 0 HG11 VAL A 40 23.129 14.961 5.779 1.00 0.00 H new ATOM 0 HG12 VAL A 40 22.147 16.297 5.131 1.00 0.00 H new ATOM 0 HG13 VAL A 40 23.664 16.644 5.995 1.00 0.00 H new ATOM 0 HG21 VAL A 40 23.220 14.544 8.213 1.00 0.00 H new ATOM 0 HG22 VAL A 40 23.758 16.210 8.530 1.00 0.00 H new ATOM 0 HG23 VAL A 40 22.304 15.576 9.336 1.00 0.00 H new ATOM 659 N LYS A 41 21.801 18.594 5.380 1.00 0.00 N ATOM 660 CA LYS A 41 22.421 19.476 4.399 1.00 0.00 C ATOM 661 C LYS A 41 21.938 20.912 4.576 1.00 0.00 C ATOM 662 O LYS A 41 22.539 21.848 4.050 1.00 0.00 O ATOM 663 CB LYS A 41 22.110 18.994 2.980 1.00 0.00 C ATOM 664 CG LYS A 41 23.067 17.928 2.476 1.00 0.00 C ATOM 665 CD LYS A 41 24.456 18.495 2.233 1.00 0.00 C ATOM 666 CE LYS A 41 25.465 17.939 3.225 1.00 0.00 C ATOM 667 NZ LYS A 41 26.864 18.274 2.840 1.00 0.00 N ATOM 0 H LYS A 41 20.968 18.110 5.045 1.00 0.00 H new ATOM 0 HA LYS A 41 23.499 19.452 4.557 1.00 0.00 H new ATOM 0 HB2 LYS A 41 21.094 18.600 2.954 1.00 0.00 H new ATOM 0 HB3 LYS A 41 22.139 19.846 2.301 1.00 0.00 H new ATOM 0 HG2 LYS A 41 23.126 17.118 3.203 1.00 0.00 H new ATOM 0 HG3 LYS A 41 22.681 17.499 1.551 1.00 0.00 H new ATOM 0 HD2 LYS A 41 24.774 18.259 1.218 1.00 0.00 H new ATOM 0 HD3 LYS A 41 24.426 19.582 2.313 1.00 0.00 H new ATOM 0 HE2 LYS A 41 25.256 18.338 4.218 1.00 0.00 H new ATOM 0 HE3 LYS A 41 25.355 16.856 3.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 27.522 17.877 3.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 27.072 17.872 1.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 26.977 19.307 2.806 1.00 0.00 H new ATOM 681 N GLN A 42 20.851 21.078 5.323 1.00 0.00 N ATOM 682 CA GLN A 42 20.289 22.400 5.570 1.00 0.00 C ATOM 683 C GLN A 42 19.725 23.001 4.287 1.00 0.00 C ATOM 684 O GLN A 42 20.182 24.047 3.825 1.00 0.00 O ATOM 685 CB GLN A 42 21.354 23.328 6.157 1.00 0.00 C ATOM 686 CG GLN A 42 21.245 23.503 7.663 1.00 0.00 C ATOM 687 CD GLN A 42 22.311 22.733 8.418 1.00 0.00 C ATOM 688 OE1 GLN A 42 22.960 23.268 9.317 1.00 0.00 O ATOM 689 NE2 GLN A 42 22.496 21.469 8.056 1.00 0.00 N ATOM 0 H GLN A 42 20.342 20.314 5.767 1.00 0.00 H new ATOM 0 HA GLN A 42 19.475 22.293 6.287 1.00 0.00 H new ATOM 0 HB2 GLN A 42 22.341 22.933 5.916 1.00 0.00 H new ATOM 0 HB3 GLN A 42 21.276 24.305 5.679 1.00 0.00 H new ATOM 0 HG2 GLN A 42 21.324 24.562 7.909 1.00 0.00 H new ATOM 0 HG3 GLN A 42 20.260 23.172 7.993 1.00 0.00 H new ATOM 0 HE21 GLN A 42 21.935 21.066 7.305 1.00 0.00 H new ATOM 0 HE22 GLN A 42 23.199 20.901 8.529 1.00 0.00 H new ATOM 698 N LEU A 43 18.730 22.332 3.714 1.00 0.00 N ATOM 699 CA LEU A 43 18.103 22.800 2.483 1.00 0.00 C ATOM 700 C LEU A 43 16.603 23.001 2.678 1.00 0.00 C ATOM 701 O LEU A 43 15.789 22.332 2.041 1.00 0.00 O ATOM 702 CB LEU A 43 18.352 21.803 1.350 1.00 0.00 C ATOM 703 CG LEU A 43 19.802 21.361 1.152 1.00 0.00 C ATOM 704 CD1 LEU A 43 19.858 19.943 0.604 1.00 0.00 C ATOM 705 CD2 LEU A 43 20.531 22.322 0.224 1.00 0.00 C ATOM 0 H LEU A 43 18.340 21.464 4.082 1.00 0.00 H new ATOM 0 HA LEU A 43 18.548 23.759 2.219 1.00 0.00 H new ATOM 0 HB2 LEU A 43 17.745 20.917 1.533 1.00 0.00 H new ATOM 0 HB3 LEU A 43 17.998 22.246 0.419 1.00 0.00 H new ATOM 0 HG LEU A 43 20.301 21.374 2.121 1.00 0.00 H new ATOM 0 HD11 LEU A 43 20.898 19.646 0.470 1.00 0.00 H new ATOM 0 HD12 LEU A 43 19.374 19.263 1.305 1.00 0.00 H new ATOM 0 HD13 LEU A 43 19.342 19.903 -0.355 1.00 0.00 H new ATOM 0 HD21 LEU A 43 21.562 21.992 0.095 1.00 0.00 H new ATOM 0 HD22 LEU A 43 20.032 22.341 -0.745 1.00 0.00 H new ATOM 0 HD23 LEU A 43 20.522 23.322 0.657 1.00 0.00 H new ATOM 717 N TYR A 44 16.246 23.929 3.559 1.00 0.00 N ATOM 718 CA TYR A 44 14.844 24.218 3.838 1.00 0.00 C ATOM 719 C TYR A 44 14.712 25.398 4.797 1.00 0.00 C ATOM 720 O TYR A 44 15.699 25.863 5.367 1.00 0.00 O ATOM 721 CB TYR A 44 14.155 22.987 4.428 1.00 0.00 C ATOM 722 CG TYR A 44 14.679 22.595 5.791 1.00 0.00 C ATOM 723 CD1 TYR A 44 16.022 22.292 5.979 1.00 0.00 C ATOM 724 CD2 TYR A 44 13.832 22.525 6.890 1.00 0.00 C ATOM 725 CE1 TYR A 44 16.506 21.932 7.222 1.00 0.00 C ATOM 726 CE2 TYR A 44 14.307 22.168 8.137 1.00 0.00 C ATOM 727 CZ TYR A 44 15.645 21.872 8.298 1.00 0.00 C ATOM 728 OH TYR A 44 16.121 21.514 9.538 1.00 0.00 O ATOM 0 H TYR A 44 16.907 24.494 4.092 1.00 0.00 H new ATOM 0 HA TYR A 44 14.359 24.481 2.898 1.00 0.00 H new ATOM 0 HB2 TYR A 44 13.085 23.180 4.501 1.00 0.00 H new ATOM 0 HB3 TYR A 44 14.281 22.148 3.744 1.00 0.00 H new ATOM 0 HD1 TYR A 44 16.699 22.339 5.139 1.00 0.00 H new ATOM 0 HD2 TYR A 44 12.784 22.754 6.767 1.00 0.00 H new ATOM 0 HE1 TYR A 44 17.553 21.699 7.350 1.00 0.00 H new ATOM 0 HE2 TYR A 44 13.635 22.121 8.981 1.00 0.00 H new ATOM 0 HH TYR A 44 15.385 21.522 10.186 1.00 0.00 H new ATOM 738 N ASP A 45 13.485 25.876 4.969 1.00 0.00 N ATOM 739 CA ASP A 45 13.221 27.000 5.860 1.00 0.00 C ATOM 740 C ASP A 45 13.083 26.529 7.304 1.00 0.00 C ATOM 741 O ASP A 45 12.197 25.738 7.626 1.00 0.00 O ATOM 742 CB ASP A 45 11.951 27.735 5.427 1.00 0.00 C ATOM 743 CG ASP A 45 12.218 29.177 5.045 1.00 0.00 C ATOM 744 OD1 ASP A 45 13.280 29.708 5.435 1.00 0.00 O ATOM 745 OD2 ASP A 45 11.366 29.776 4.356 1.00 0.00 O ATOM 0 H ASP A 45 12.658 25.503 4.504 1.00 0.00 H new ATOM 0 HA ASP A 45 14.067 27.685 5.800 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.505 27.215 4.580 1.00 0.00 H new ATOM 0 HB3 ASP A 45 11.224 27.706 6.238 1.00 0.00 H new ATOM 750 N GLN A 46 13.966 27.019 8.168 1.00 0.00 N ATOM 751 CA GLN A 46 13.944 26.646 9.577 1.00 0.00 C ATOM 752 C GLN A 46 12.626 27.055 10.228 1.00 0.00 C ATOM 753 O GLN A 46 12.257 26.538 11.282 1.00 0.00 O ATOM 754 CB GLN A 46 15.115 27.294 10.317 1.00 0.00 C ATOM 755 CG GLN A 46 16.422 27.252 9.543 1.00 0.00 C ATOM 756 CD GLN A 46 16.782 25.854 9.081 1.00 0.00 C ATOM 757 OE1 GLN A 46 17.748 25.259 9.560 1.00 0.00 O ATOM 758 NE2 GLN A 46 16.005 25.321 8.146 1.00 0.00 N ATOM 0 H GLN A 46 14.705 27.675 7.917 1.00 0.00 H new ATOM 0 HA GLN A 46 14.039 25.562 9.641 1.00 0.00 H new ATOM 0 HB2 GLN A 46 14.866 28.332 10.536 1.00 0.00 H new ATOM 0 HB3 GLN A 46 15.253 26.790 11.274 1.00 0.00 H new ATOM 0 HG2 GLN A 46 16.348 27.909 8.676 1.00 0.00 H new ATOM 0 HG3 GLN A 46 17.224 27.641 10.170 1.00 0.00 H new ATOM 0 HE21 GLN A 46 15.215 25.850 7.777 1.00 0.00 H new ATOM 0 HE22 GLN A 46 16.198 24.382 7.796 1.00 0.00 H new ATOM 767 N GLN A 47 11.923 27.986 9.593 1.00 0.00 N ATOM 768 CA GLN A 47 10.647 28.465 10.111 1.00 0.00 C ATOM 769 C GLN A 47 9.497 27.593 9.618 1.00 0.00 C ATOM 770 O GLN A 47 8.477 27.456 10.292 1.00 0.00 O ATOM 771 CB GLN A 47 10.416 29.919 9.693 1.00 0.00 C ATOM 772 CG GLN A 47 11.683 30.758 9.685 1.00 0.00 C ATOM 773 CD GLN A 47 12.493 30.580 8.416 1.00 0.00 C ATOM 774 OE1 GLN A 47 12.174 31.158 7.377 1.00 0.00 O ATOM 775 NE2 GLN A 47 13.548 29.778 8.495 1.00 0.00 N ATOM 0 H GLN A 47 12.215 28.424 8.719 1.00 0.00 H new ATOM 0 HA GLN A 47 10.681 28.408 11.199 1.00 0.00 H new ATOM 0 HB2 GLN A 47 9.973 29.936 8.697 1.00 0.00 H new ATOM 0 HB3 GLN A 47 9.694 30.373 10.371 1.00 0.00 H new ATOM 0 HG2 GLN A 47 11.419 31.809 9.798 1.00 0.00 H new ATOM 0 HG3 GLN A 47 12.297 30.489 10.544 1.00 0.00 H new ATOM 0 HE21 GLN A 47 13.775 29.319 9.377 1.00 0.00 H new ATOM 0 HE22 GLN A 47 14.132 29.620 7.673 1.00 0.00 H new ATOM 784 N GLU A 48 9.670 27.006 8.437 1.00 0.00 N ATOM 785 CA GLU A 48 8.645 26.148 7.854 1.00 0.00 C ATOM 786 C GLU A 48 9.260 24.867 7.298 1.00 0.00 C ATOM 787 O GLU A 48 9.665 24.816 6.137 1.00 0.00 O ATOM 788 CB GLU A 48 7.896 26.891 6.746 1.00 0.00 C ATOM 789 CG GLU A 48 7.005 25.993 5.905 1.00 0.00 C ATOM 790 CD GLU A 48 6.312 26.743 4.784 1.00 0.00 C ATOM 791 OE1 GLU A 48 7.017 27.254 3.889 1.00 0.00 O ATOM 792 OE2 GLU A 48 5.066 26.818 4.802 1.00 0.00 O ATOM 0 H GLU A 48 10.509 27.109 7.866 1.00 0.00 H new ATOM 0 HA GLU A 48 7.940 25.880 8.641 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.287 27.676 7.194 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.620 27.382 6.096 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.604 25.187 5.482 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.254 25.530 6.545 1.00 0.00 H new ATOM 799 N GLN A 49 9.325 23.837 8.135 1.00 0.00 N ATOM 800 CA GLN A 49 9.891 22.557 7.727 1.00 0.00 C ATOM 801 C GLN A 49 9.088 21.946 6.584 1.00 0.00 C ATOM 802 O GLN A 49 9.596 21.116 5.828 1.00 0.00 O ATOM 803 CB GLN A 49 9.929 21.591 8.913 1.00 0.00 C ATOM 804 CG GLN A 49 10.903 22.006 10.004 1.00 0.00 C ATOM 805 CD GLN A 49 10.286 22.964 11.003 1.00 0.00 C ATOM 806 OE1 GLN A 49 9.069 22.990 11.187 1.00 0.00 O ATOM 807 NE2 GLN A 49 11.126 23.759 11.657 1.00 0.00 N ATOM 0 H GLN A 49 8.993 23.864 9.099 1.00 0.00 H new ATOM 0 HA GLN A 49 10.908 22.733 7.378 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.929 21.514 9.340 1.00 0.00 H new ATOM 0 HB3 GLN A 49 10.200 20.598 8.554 1.00 0.00 H new ATOM 0 HG2 GLN A 49 11.256 21.118 10.528 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.775 22.474 9.548 1.00 0.00 H new ATOM 0 HE21 GLN A 49 12.128 23.704 11.473 1.00 0.00 H new ATOM 0 HE22 GLN A 49 10.769 24.424 12.343 1.00 0.00 H new ATOM 816 N HIS A 50 7.831 22.360 6.462 1.00 0.00 N ATOM 817 CA HIS A 50 6.957 21.854 5.410 1.00 0.00 C ATOM 818 C HIS A 50 7.406 22.356 4.042 1.00 0.00 C ATOM 819 O HIS A 50 6.857 21.960 3.014 1.00 0.00 O ATOM 820 CB HIS A 50 5.511 22.275 5.673 1.00 0.00 C ATOM 821 CG HIS A 50 4.888 23.022 4.533 1.00 0.00 C ATOM 822 ND1 HIS A 50 4.659 24.381 4.560 1.00 0.00 N ATOM 823 CD2 HIS A 50 4.449 22.591 3.327 1.00 0.00 C ATOM 824 CE1 HIS A 50 4.103 24.754 3.421 1.00 0.00 C ATOM 825 NE2 HIS A 50 3.965 23.687 2.655 1.00 0.00 N ATOM 0 H HIS A 50 7.395 23.045 7.079 1.00 0.00 H new ATOM 0 HA HIS A 50 7.017 20.766 5.414 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.915 21.387 5.884 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.480 22.899 6.566 1.00 0.00 H new ATOM 0 HD2 HIS A 50 4.475 21.575 2.961 1.00 0.00 H new ATOM 0 HE1 HIS A 50 3.811 25.761 3.161 1.00 0.00 H new ATOM 0 HE2 HIS A 50 3.564 23.678 1.717 1.00 0.00 H new ATOM 833 N MET A 51 8.405 23.232 4.037 1.00 0.00 N ATOM 834 CA MET A 51 8.927 23.789 2.795 1.00 0.00 C ATOM 835 C MET A 51 10.411 23.469 2.637 1.00 0.00 C ATOM 836 O MET A 51 11.241 23.925 3.423 1.00 0.00 O ATOM 837 CB MET A 51 8.713 25.303 2.759 1.00 0.00 C ATOM 838 CG MET A 51 7.563 25.734 1.864 1.00 0.00 C ATOM 839 SD MET A 51 7.699 25.072 0.192 1.00 0.00 S ATOM 840 CE MET A 51 9.452 25.273 -0.110 1.00 0.00 C ATOM 0 H MET A 51 8.869 23.571 4.879 1.00 0.00 H new ATOM 0 HA MET A 51 8.385 23.334 1.966 1.00 0.00 H new ATOM 0 HB2 MET A 51 8.527 25.659 3.772 1.00 0.00 H new ATOM 0 HB3 MET A 51 9.629 25.783 2.415 1.00 0.00 H new ATOM 0 HG2 MET A 51 6.622 25.406 2.305 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.531 26.823 1.818 1.00 0.00 H new ATOM 0 HE1 MET A 51 9.622 25.430 -1.175 1.00 0.00 H new ATOM 0 HE2 MET A 51 9.821 26.134 0.447 1.00 0.00 H new ATOM 0 HE3 MET A 51 9.982 24.377 0.213 1.00 0.00 H new ATOM 850 N VAL A 52 10.737 22.683 1.616 1.00 0.00 N ATOM 851 CA VAL A 52 12.120 22.304 1.355 1.00 0.00 C ATOM 852 C VAL A 52 12.741 23.193 0.284 1.00 0.00 C ATOM 853 O VAL A 52 12.109 23.499 -0.728 1.00 0.00 O ATOM 854 CB VAL A 52 12.224 20.833 0.909 1.00 0.00 C ATOM 855 CG1 VAL A 52 13.653 20.494 0.514 1.00 0.00 C ATOM 856 CG2 VAL A 52 11.733 19.906 2.011 1.00 0.00 C ATOM 0 H VAL A 52 10.062 22.296 0.956 1.00 0.00 H new ATOM 0 HA VAL A 52 12.665 22.432 2.290 1.00 0.00 H new ATOM 0 HB VAL A 52 11.588 20.691 0.036 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.707 19.451 0.202 1.00 0.00 H new ATOM 0 HG12 VAL A 52 13.965 21.136 -0.310 1.00 0.00 H new ATOM 0 HG13 VAL A 52 14.313 20.652 1.367 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.814 18.871 1.679 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.341 20.049 2.904 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.692 20.133 2.241 1.00 0.00 H new ATOM 866 N TYR A 53 13.983 23.605 0.512 1.00 0.00 N ATOM 867 CA TYR A 53 14.690 24.462 -0.432 1.00 0.00 C ATOM 868 C TYR A 53 15.952 23.778 -0.949 1.00 0.00 C ATOM 869 O TYR A 53 17.052 24.021 -0.450 1.00 0.00 O ATOM 870 CB TYR A 53 15.052 25.794 0.227 1.00 0.00 C ATOM 871 CG TYR A 53 13.877 26.732 0.383 1.00 0.00 C ATOM 872 CD1 TYR A 53 13.086 27.073 -0.708 1.00 0.00 C ATOM 873 CD2 TYR A 53 13.557 27.277 1.620 1.00 0.00 C ATOM 874 CE1 TYR A 53 12.011 27.930 -0.570 1.00 0.00 C ATOM 875 CE2 TYR A 53 12.483 28.134 1.767 1.00 0.00 C ATOM 876 CZ TYR A 53 11.713 28.457 0.669 1.00 0.00 C ATOM 877 OH TYR A 53 10.644 29.311 0.811 1.00 0.00 O ATOM 0 H TYR A 53 14.521 23.359 1.343 1.00 0.00 H new ATOM 0 HA TYR A 53 14.028 24.651 -1.277 1.00 0.00 H new ATOM 0 HB2 TYR A 53 15.483 25.599 1.209 1.00 0.00 H new ATOM 0 HB3 TYR A 53 15.822 26.286 -0.367 1.00 0.00 H new ATOM 0 HD1 TYR A 53 13.316 26.661 -1.680 1.00 0.00 H new ATOM 0 HD2 TYR A 53 14.158 27.027 2.482 1.00 0.00 H new ATOM 0 HE1 TYR A 53 11.407 28.186 -1.428 1.00 0.00 H new ATOM 0 HE2 TYR A 53 12.248 28.549 2.736 1.00 0.00 H new ATOM 0 HH TYR A 53 10.571 29.591 1.747 1.00 0.00 H new ATOM 887 N CYS A 54 15.785 22.922 -1.951 1.00 0.00 N ATOM 888 CA CYS A 54 16.910 22.202 -2.537 1.00 0.00 C ATOM 889 C CYS A 54 17.983 23.171 -3.022 1.00 0.00 C ATOM 890 O CYS A 54 19.173 22.963 -2.789 1.00 0.00 O ATOM 891 CB CYS A 54 16.433 21.327 -3.697 1.00 0.00 C ATOM 892 SG CYS A 54 15.942 22.256 -5.169 1.00 0.00 S ATOM 0 H CYS A 54 14.882 22.710 -2.374 1.00 0.00 H new ATOM 0 HA CYS A 54 17.344 21.566 -1.766 1.00 0.00 H new ATOM 0 HB2 CYS A 54 17.230 20.634 -3.967 1.00 0.00 H new ATOM 0 HB3 CYS A 54 15.588 20.726 -3.361 1.00 0.00 H new ATOM 0 HG CYS A 54 15.320 23.340 -4.811 1.00 0.00 H new ATOM 898 N GLY A 55 17.554 24.231 -3.700 1.00 0.00 N ATOM 899 CA GLY A 55 18.490 25.216 -4.209 1.00 0.00 C ATOM 900 C GLY A 55 19.442 24.634 -5.235 1.00 0.00 C ATOM 901 O GLY A 55 20.411 25.281 -5.630 1.00 0.00 O ATOM 0 H GLY A 55 16.574 24.425 -3.906 1.00 0.00 H new ATOM 0 HA2 GLY A 55 17.937 26.041 -4.658 1.00 0.00 H new ATOM 0 HA3 GLY A 55 19.063 25.631 -3.380 1.00 0.00 H new ATOM 905 N GLY A 56 19.167 23.407 -5.667 1.00 0.00 N ATOM 906 CA GLY A 56 20.017 22.757 -6.648 1.00 0.00 C ATOM 907 C GLY A 56 20.730 21.544 -6.085 1.00 0.00 C ATOM 908 O GLY A 56 21.245 20.715 -6.835 1.00 0.00 O ATOM 0 H GLY A 56 18.371 22.851 -5.355 1.00 0.00 H new ATOM 0 HA2 GLY A 56 19.413 22.455 -7.504 1.00 0.00 H new ATOM 0 HA3 GLY A 56 20.755 23.471 -7.014 1.00 0.00 H new ATOM 912 N ASP A 57 20.762 21.440 -4.761 1.00 0.00 N ATOM 913 CA ASP A 57 21.418 20.319 -4.097 1.00 0.00 C ATOM 914 C ASP A 57 20.967 18.992 -4.699 1.00 0.00 C ATOM 915 O ASP A 57 20.148 18.961 -5.618 1.00 0.00 O ATOM 916 CB ASP A 57 21.120 20.341 -2.597 1.00 0.00 C ATOM 917 CG ASP A 57 22.372 20.507 -1.760 1.00 0.00 C ATOM 918 OD1 ASP A 57 22.919 21.630 -1.726 1.00 0.00 O ATOM 919 OD2 ASP A 57 22.805 19.515 -1.138 1.00 0.00 O ATOM 0 H ASP A 57 20.341 22.118 -4.126 1.00 0.00 H new ATOM 0 HA ASP A 57 22.493 20.419 -4.247 1.00 0.00 H new ATOM 0 HB2 ASP A 57 20.430 21.156 -2.379 1.00 0.00 H new ATOM 0 HB3 ASP A 57 20.619 19.415 -2.316 1.00 0.00 H new ATOM 924 N LEU A 58 21.507 17.897 -4.176 1.00 0.00 N ATOM 925 CA LEU A 58 21.162 16.566 -4.662 1.00 0.00 C ATOM 926 C LEU A 58 19.651 16.417 -4.812 1.00 0.00 C ATOM 927 O LEU A 58 19.155 16.057 -5.881 1.00 0.00 O ATOM 928 CB LEU A 58 21.699 15.498 -3.707 1.00 0.00 C ATOM 929 CG LEU A 58 22.970 14.775 -4.155 1.00 0.00 C ATOM 930 CD1 LEU A 58 22.628 13.617 -5.080 1.00 0.00 C ATOM 931 CD2 LEU A 58 23.921 15.745 -4.842 1.00 0.00 C ATOM 0 H LEU A 58 22.186 17.905 -3.415 1.00 0.00 H new ATOM 0 HA LEU A 58 21.621 16.433 -5.641 1.00 0.00 H new ATOM 0 HB2 LEU A 58 21.892 15.966 -2.742 1.00 0.00 H new ATOM 0 HB3 LEU A 58 20.918 14.754 -3.550 1.00 0.00 H new ATOM 0 HG LEU A 58 23.467 14.373 -3.272 1.00 0.00 H new ATOM 0 HD11 LEU A 58 23.545 13.115 -5.388 1.00 0.00 H new ATOM 0 HD12 LEU A 58 21.986 12.910 -4.555 1.00 0.00 H new ATOM 0 HD13 LEU A 58 22.108 13.996 -5.960 1.00 0.00 H new ATOM 0 HD21 LEU A 58 24.820 15.214 -5.154 1.00 0.00 H new ATOM 0 HD22 LEU A 58 23.432 16.176 -5.716 1.00 0.00 H new ATOM 0 HD23 LEU A 58 24.192 16.541 -4.149 1.00 0.00 H new ATOM 943 N LEU A 59 18.924 16.697 -3.736 1.00 0.00 N ATOM 944 CA LEU A 59 17.469 16.596 -3.749 1.00 0.00 C ATOM 945 C LEU A 59 16.871 17.486 -4.834 1.00 0.00 C ATOM 946 O LEU A 59 15.850 17.151 -5.433 1.00 0.00 O ATOM 947 CB LEU A 59 16.899 16.984 -2.383 1.00 0.00 C ATOM 948 CG LEU A 59 16.850 18.482 -2.078 1.00 0.00 C ATOM 949 CD1 LEU A 59 15.937 18.755 -0.893 1.00 0.00 C ATOM 950 CD2 LEU A 59 18.249 19.017 -1.809 1.00 0.00 C ATOM 0 H LEU A 59 19.318 16.996 -2.844 1.00 0.00 H new ATOM 0 HA LEU A 59 17.203 15.562 -3.966 1.00 0.00 H new ATOM 0 HB2 LEU A 59 15.888 16.585 -2.307 1.00 0.00 H new ATOM 0 HB3 LEU A 59 17.494 16.495 -1.611 1.00 0.00 H new ATOM 0 HG LEU A 59 16.446 18.998 -2.949 1.00 0.00 H new ATOM 0 HD11 LEU A 59 15.914 19.826 -0.690 1.00 0.00 H new ATOM 0 HD12 LEU A 59 14.930 18.408 -1.122 1.00 0.00 H new ATOM 0 HD13 LEU A 59 16.312 18.228 -0.016 1.00 0.00 H new ATOM 0 HD21 LEU A 59 18.195 20.084 -1.594 1.00 0.00 H new ATOM 0 HD22 LEU A 59 18.680 18.496 -0.954 1.00 0.00 H new ATOM 0 HD23 LEU A 59 18.875 18.855 -2.686 1.00 0.00 H new ATOM 962 N GLY A 60 17.515 18.622 -5.082 1.00 0.00 N ATOM 963 CA GLY A 60 17.034 19.542 -6.096 1.00 0.00 C ATOM 964 C GLY A 60 17.160 18.978 -7.498 1.00 0.00 C ATOM 965 O GLY A 60 16.215 19.034 -8.283 1.00 0.00 O ATOM 0 H GLY A 60 18.362 18.922 -4.599 1.00 0.00 H new ATOM 0 HA2 GLY A 60 15.990 19.783 -5.897 1.00 0.00 H new ATOM 0 HA3 GLY A 60 17.594 20.475 -6.031 1.00 0.00 H new ATOM 969 N GLU A 61 18.333 18.435 -7.811 1.00 0.00 N ATOM 970 CA GLU A 61 18.580 17.861 -9.129 1.00 0.00 C ATOM 971 C GLU A 61 17.664 16.667 -9.383 1.00 0.00 C ATOM 972 O GLU A 61 17.151 16.487 -10.488 1.00 0.00 O ATOM 973 CB GLU A 61 20.043 17.432 -9.257 1.00 0.00 C ATOM 974 CG GLU A 61 21.027 18.455 -8.716 1.00 0.00 C ATOM 975 CD GLU A 61 22.200 18.687 -9.648 1.00 0.00 C ATOM 976 OE1 GLU A 61 22.690 17.702 -10.240 1.00 0.00 O ATOM 977 OE2 GLU A 61 22.628 19.851 -9.787 1.00 0.00 O ATOM 0 H GLU A 61 19.126 18.381 -7.171 1.00 0.00 H new ATOM 0 HA GLU A 61 18.367 18.626 -9.876 1.00 0.00 H new ATOM 0 HB2 GLU A 61 20.184 16.490 -8.728 1.00 0.00 H new ATOM 0 HB3 GLU A 61 20.267 17.245 -10.307 1.00 0.00 H new ATOM 0 HG2 GLU A 61 20.508 19.399 -8.549 1.00 0.00 H new ATOM 0 HG3 GLU A 61 21.398 18.120 -7.748 1.00 0.00 H new ATOM 984 N LEU A 62 17.463 15.853 -8.352 1.00 0.00 N ATOM 985 CA LEU A 62 16.610 14.675 -8.462 1.00 0.00 C ATOM 986 C LEU A 62 15.147 15.076 -8.626 1.00 0.00 C ATOM 987 O LEU A 62 14.407 14.464 -9.398 1.00 0.00 O ATOM 988 CB LEU A 62 16.772 13.787 -7.228 1.00 0.00 C ATOM 989 CG LEU A 62 17.608 12.520 -7.417 1.00 0.00 C ATOM 990 CD1 LEU A 62 17.160 11.766 -8.660 1.00 0.00 C ATOM 991 CD2 LEU A 62 19.087 12.866 -7.504 1.00 0.00 C ATOM 0 H LEU A 62 17.879 15.987 -7.431 1.00 0.00 H new ATOM 0 HA LEU A 62 16.916 14.116 -9.346 1.00 0.00 H new ATOM 0 HB2 LEU A 62 17.224 14.382 -6.434 1.00 0.00 H new ATOM 0 HB3 LEU A 62 15.780 13.496 -6.882 1.00 0.00 H new ATOM 0 HG LEU A 62 17.457 11.875 -6.552 1.00 0.00 H new ATOM 0 HD11 LEU A 62 17.766 10.868 -8.779 1.00 0.00 H new ATOM 0 HD12 LEU A 62 16.112 11.486 -8.558 1.00 0.00 H new ATOM 0 HD13 LEU A 62 17.281 12.404 -9.536 1.00 0.00 H new ATOM 0 HD21 LEU A 62 19.667 11.953 -7.638 1.00 0.00 H new ATOM 0 HD22 LEU A 62 19.256 13.531 -8.351 1.00 0.00 H new ATOM 0 HD23 LEU A 62 19.399 13.362 -6.585 1.00 0.00 H new ATOM 1003 N LEU A 63 14.737 16.108 -7.897 1.00 0.00 N ATOM 1004 CA LEU A 63 13.362 16.593 -7.963 1.00 0.00 C ATOM 1005 C LEU A 63 13.095 17.293 -9.291 1.00 0.00 C ATOM 1006 O LEU A 63 12.010 17.178 -9.858 1.00 0.00 O ATOM 1007 CB LEU A 63 13.082 17.550 -6.803 1.00 0.00 C ATOM 1008 CG LEU A 63 12.493 16.920 -5.541 1.00 0.00 C ATOM 1009 CD1 LEU A 63 10.973 16.962 -5.583 1.00 0.00 C ATOM 1010 CD2 LEU A 63 12.984 15.488 -5.379 1.00 0.00 C ATOM 0 H LEU A 63 15.336 16.625 -7.254 1.00 0.00 H new ATOM 0 HA LEU A 63 12.695 15.734 -7.886 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.014 18.047 -6.536 1.00 0.00 H new ATOM 0 HB3 LEU A 63 12.397 18.323 -7.153 1.00 0.00 H new ATOM 0 HG LEU A 63 12.829 17.498 -4.680 1.00 0.00 H new ATOM 0 HD11 LEU A 63 10.571 16.509 -4.677 1.00 0.00 H new ATOM 0 HD12 LEU A 63 10.639 17.998 -5.650 1.00 0.00 H new ATOM 0 HD13 LEU A 63 10.618 16.409 -6.453 1.00 0.00 H new ATOM 0 HD21 LEU A 63 12.554 15.056 -4.475 1.00 0.00 H new ATOM 0 HD22 LEU A 63 12.679 14.899 -6.244 1.00 0.00 H new ATOM 0 HD23 LEU A 63 14.071 15.483 -5.302 1.00 0.00 H new ATOM 1022 N GLY A 64 14.095 18.019 -9.783 1.00 0.00 N ATOM 1023 CA GLY A 64 13.949 18.726 -11.042 1.00 0.00 C ATOM 1024 C GLY A 64 13.442 20.143 -10.856 1.00 0.00 C ATOM 1025 O GLY A 64 13.509 20.959 -11.775 1.00 0.00 O ATOM 0 H GLY A 64 15.003 18.130 -9.332 1.00 0.00 H new ATOM 0 HA2 GLY A 64 14.911 18.752 -11.554 1.00 0.00 H new ATOM 0 HA3 GLY A 64 13.260 18.178 -11.685 1.00 0.00 H new ATOM 1029 N ARG A 65 12.931 20.435 -9.665 1.00 0.00 N ATOM 1030 CA ARG A 65 12.408 21.762 -9.362 1.00 0.00 C ATOM 1031 C ARG A 65 13.403 22.561 -8.527 1.00 0.00 C ATOM 1032 O ARG A 65 14.566 22.181 -8.399 1.00 0.00 O ATOM 1033 CB ARG A 65 11.075 21.651 -8.619 1.00 0.00 C ATOM 1034 CG ARG A 65 10.193 20.517 -9.116 1.00 0.00 C ATOM 1035 CD ARG A 65 10.110 20.500 -10.634 1.00 0.00 C ATOM 1036 NE ARG A 65 9.521 19.261 -11.136 1.00 0.00 N ATOM 1037 CZ ARG A 65 8.213 19.033 -11.179 1.00 0.00 C ATOM 1038 NH1 ARG A 65 7.362 19.956 -10.754 1.00 0.00 N ATOM 1039 NH2 ARG A 65 7.755 17.881 -11.650 1.00 0.00 N ATOM 0 H ARG A 65 12.868 19.771 -8.894 1.00 0.00 H new ATOM 0 HA ARG A 65 12.248 22.286 -10.304 1.00 0.00 H new ATOM 0 HB2 ARG A 65 11.272 21.508 -7.557 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.534 22.592 -8.719 1.00 0.00 H new ATOM 0 HG2 ARG A 65 10.588 19.565 -8.762 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.192 20.623 -8.697 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.515 21.348 -10.974 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.109 20.622 -11.053 1.00 0.00 H new ATOM 0 HE ARG A 65 10.149 18.531 -11.472 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.711 20.844 -10.393 1.00 0.00 H new ATOM 0 HH12 ARG A 65 6.358 19.778 -10.788 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.407 17.169 -11.980 1.00 0.00 H new ATOM 0 HH22 ARG A 65 6.751 17.707 -11.683 1.00 0.00 H new ATOM 1053 N GLN A 66 12.937 23.671 -7.962 1.00 0.00 N ATOM 1054 CA GLN A 66 13.787 24.524 -7.140 1.00 0.00 C ATOM 1055 C GLN A 66 13.454 24.362 -5.661 1.00 0.00 C ATOM 1056 O GLN A 66 14.324 24.492 -4.801 1.00 0.00 O ATOM 1057 CB GLN A 66 13.628 25.988 -7.554 1.00 0.00 C ATOM 1058 CG GLN A 66 12.227 26.338 -8.027 1.00 0.00 C ATOM 1059 CD GLN A 66 12.067 27.813 -8.338 1.00 0.00 C ATOM 1060 OE1 GLN A 66 12.188 28.662 -7.455 1.00 0.00 O ATOM 1061 NE2 GLN A 66 11.793 28.126 -9.599 1.00 0.00 N ATOM 0 H GLN A 66 11.976 24.000 -8.059 1.00 0.00 H new ATOM 0 HA GLN A 66 14.822 24.220 -7.295 1.00 0.00 H new ATOM 0 HB2 GLN A 66 13.887 26.626 -6.709 1.00 0.00 H new ATOM 0 HB3 GLN A 66 14.338 26.211 -8.351 1.00 0.00 H new ATOM 0 HG2 GLN A 66 11.992 25.755 -8.918 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.507 26.052 -7.260 1.00 0.00 H new ATOM 0 HE21 GLN A 66 11.701 27.390 -10.299 1.00 0.00 H new ATOM 0 HE22 GLN A 66 11.674 29.103 -9.868 1.00 0.00 H new ATOM 1070 N SER A 67 12.188 24.078 -5.373 1.00 0.00 N ATOM 1071 CA SER A 67 11.738 23.903 -3.997 1.00 0.00 C ATOM 1072 C SER A 67 10.456 23.078 -3.945 1.00 0.00 C ATOM 1073 O SER A 67 9.568 23.235 -4.784 1.00 0.00 O ATOM 1074 CB SER A 67 11.510 25.263 -3.335 1.00 0.00 C ATOM 1075 OG SER A 67 10.224 25.772 -3.646 1.00 0.00 O ATOM 0 H SER A 67 11.456 23.964 -6.074 1.00 0.00 H new ATOM 0 HA SER A 67 12.516 23.368 -3.452 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.615 25.167 -2.254 1.00 0.00 H new ATOM 0 HB3 SER A 67 12.273 25.966 -3.669 1.00 0.00 H new ATOM 0 HG SER A 67 10.102 26.641 -3.210 1.00 0.00 H new ATOM 1081 N PHE A 68 10.366 22.197 -2.954 1.00 0.00 N ATOM 1082 CA PHE A 68 9.193 21.345 -2.793 1.00 0.00 C ATOM 1083 C PHE A 68 8.738 21.317 -1.336 1.00 0.00 C ATOM 1084 O PHE A 68 9.555 21.379 -0.418 1.00 0.00 O ATOM 1085 CB PHE A 68 9.498 19.924 -3.271 1.00 0.00 C ATOM 1086 CG PHE A 68 10.691 19.308 -2.597 1.00 0.00 C ATOM 1087 CD1 PHE A 68 10.546 18.598 -1.416 1.00 0.00 C ATOM 1088 CD2 PHE A 68 11.957 19.439 -3.145 1.00 0.00 C ATOM 1089 CE1 PHE A 68 11.642 18.031 -0.793 1.00 0.00 C ATOM 1090 CE2 PHE A 68 13.057 18.873 -2.527 1.00 0.00 C ATOM 1091 CZ PHE A 68 12.899 18.168 -1.350 1.00 0.00 C ATOM 0 H PHE A 68 11.091 22.054 -2.251 1.00 0.00 H new ATOM 0 HA PHE A 68 8.388 21.759 -3.400 1.00 0.00 H new ATOM 0 HB2 PHE A 68 8.626 19.295 -3.094 1.00 0.00 H new ATOM 0 HB3 PHE A 68 9.667 19.940 -4.348 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.565 18.486 -0.977 1.00 0.00 H new ATOM 0 HD2 PHE A 68 12.086 19.989 -4.065 1.00 0.00 H new ATOM 0 HE1 PHE A 68 11.516 17.481 0.128 1.00 0.00 H new ATOM 0 HE2 PHE A 68 14.038 18.982 -2.964 1.00 0.00 H new ATOM 0 HZ PHE A 68 13.756 17.725 -0.866 1.00 0.00 H new ATOM 1101 N SER A 69 7.427 21.224 -1.134 1.00 0.00 N ATOM 1102 CA SER A 69 6.862 21.192 0.210 1.00 0.00 C ATOM 1103 C SER A 69 6.764 19.759 0.724 1.00 0.00 C ATOM 1104 O SER A 69 6.382 18.848 -0.011 1.00 0.00 O ATOM 1105 CB SER A 69 5.479 21.846 0.220 1.00 0.00 C ATOM 1106 OG SER A 69 5.094 22.245 -1.084 1.00 0.00 O ATOM 0 H SER A 69 6.737 21.170 -1.883 1.00 0.00 H new ATOM 0 HA SER A 69 7.525 21.751 0.870 1.00 0.00 H new ATOM 0 HB2 SER A 69 4.745 21.147 0.621 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.488 22.713 0.881 1.00 0.00 H new ATOM 0 HG SER A 69 4.206 22.658 -1.051 1.00 0.00 H new ATOM 1112 N VAL A 70 7.110 19.567 1.993 1.00 0.00 N ATOM 1113 CA VAL A 70 7.060 18.246 2.607 1.00 0.00 C ATOM 1114 C VAL A 70 5.626 17.843 2.930 1.00 0.00 C ATOM 1115 O VAL A 70 5.287 16.660 2.935 1.00 0.00 O ATOM 1116 CB VAL A 70 7.899 18.195 3.898 1.00 0.00 C ATOM 1117 CG1 VAL A 70 8.916 19.326 3.919 1.00 0.00 C ATOM 1118 CG2 VAL A 70 6.997 18.255 5.122 1.00 0.00 C ATOM 0 H VAL A 70 7.428 20.310 2.616 1.00 0.00 H new ATOM 0 HA VAL A 70 7.477 17.545 1.883 1.00 0.00 H new ATOM 0 HB VAL A 70 8.442 17.250 3.921 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.499 19.274 4.838 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.582 19.233 3.061 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.397 20.283 3.873 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.606 18.218 6.025 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.426 19.183 5.108 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.312 17.407 5.111 1.00 0.00 H new ATOM 1128 N LYS A 71 4.785 18.837 3.199 1.00 0.00 N ATOM 1129 CA LYS A 71 3.385 18.588 3.522 1.00 0.00 C ATOM 1130 C LYS A 71 2.615 18.130 2.287 1.00 0.00 C ATOM 1131 O LYS A 71 1.551 17.522 2.399 1.00 0.00 O ATOM 1132 CB LYS A 71 2.741 19.852 4.097 1.00 0.00 C ATOM 1133 CG LYS A 71 1.654 19.569 5.119 1.00 0.00 C ATOM 1134 CD LYS A 71 2.136 18.611 6.196 1.00 0.00 C ATOM 1135 CE LYS A 71 3.562 18.925 6.623 1.00 0.00 C ATOM 1136 NZ LYS A 71 4.074 17.938 7.613 1.00 0.00 N ATOM 0 H LYS A 71 5.049 19.822 3.200 1.00 0.00 H new ATOM 0 HA LYS A 71 3.345 17.795 4.269 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.514 20.465 4.561 1.00 0.00 H new ATOM 0 HB3 LYS A 71 2.317 20.437 3.281 1.00 0.00 H new ATOM 0 HG2 LYS A 71 1.334 20.504 5.579 1.00 0.00 H new ATOM 0 HG3 LYS A 71 0.783 19.146 4.618 1.00 0.00 H new ATOM 0 HD2 LYS A 71 1.475 18.671 7.060 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.083 17.588 5.824 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.211 18.931 5.747 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.600 19.925 7.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.082 17.755 7.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 3.959 18.318 8.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.540 17.050 7.526 1.00 0.00 H new ATOM 1150 N ASP A 72 3.161 18.423 1.113 1.00 0.00 N ATOM 1151 CA ASP A 72 2.527 18.039 -0.143 1.00 0.00 C ATOM 1152 C ASP A 72 3.378 17.017 -0.891 1.00 0.00 C ATOM 1153 O ASP A 72 4.285 17.363 -1.648 1.00 0.00 O ATOM 1154 CB ASP A 72 2.297 19.270 -1.021 1.00 0.00 C ATOM 1155 CG ASP A 72 1.267 20.215 -0.434 1.00 0.00 C ATOM 1156 OD1 ASP A 72 0.076 19.841 -0.389 1.00 0.00 O ATOM 1157 OD2 ASP A 72 1.652 21.328 -0.020 1.00 0.00 O ATOM 0 H ASP A 72 4.042 18.926 1.004 1.00 0.00 H new ATOM 0 HA ASP A 72 1.564 17.584 0.089 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.240 19.801 -1.152 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.971 18.951 -2.011 1.00 0.00 H new ATOM 1162 N PRO A 73 3.081 15.727 -0.674 1.00 0.00 N ATOM 1163 CA PRO A 73 3.807 14.629 -1.318 1.00 0.00 C ATOM 1164 C PRO A 73 3.523 14.544 -2.814 1.00 0.00 C ATOM 1165 O PRO A 73 3.114 13.499 -3.320 1.00 0.00 O ATOM 1166 CB PRO A 73 3.276 13.384 -0.602 1.00 0.00 C ATOM 1167 CG PRO A 73 1.924 13.777 -0.112 1.00 0.00 C ATOM 1168 CD PRO A 73 2.012 15.242 0.216 1.00 0.00 C ATOM 0 HA PRO A 73 4.887 14.755 -1.240 1.00 0.00 H new ATOM 0 HB2 PRO A 73 3.219 12.532 -1.279 1.00 0.00 H new ATOM 0 HB3 PRO A 73 3.927 13.093 0.223 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.165 13.592 -0.872 1.00 0.00 H new ATOM 0 HG3 PRO A 73 1.643 13.196 0.767 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.068 15.754 0.027 1.00 0.00 H new ATOM 0 HD3 PRO A 73 2.258 15.405 1.265 1.00 0.00 H new ATOM 1176 N SER A 74 3.744 15.651 -3.517 1.00 0.00 N ATOM 1177 CA SER A 74 3.508 15.702 -4.955 1.00 0.00 C ATOM 1178 C SER A 74 4.803 15.464 -5.726 1.00 0.00 C ATOM 1179 O SER A 74 4.987 14.437 -6.379 1.00 0.00 O ATOM 1180 CB SER A 74 2.909 17.054 -5.347 1.00 0.00 C ATOM 1181 OG SER A 74 3.338 17.446 -6.639 1.00 0.00 O ATOM 0 H SER A 74 4.086 16.524 -3.114 1.00 0.00 H new ATOM 0 HA SER A 74 2.802 14.912 -5.211 1.00 0.00 H new ATOM 0 HB2 SER A 74 1.821 16.994 -5.324 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.201 17.810 -4.618 1.00 0.00 H new ATOM 0 HG SER A 74 2.940 18.312 -6.867 1.00 0.00 H new ATOM 1187 N PRO A 75 5.723 16.437 -5.650 1.00 0.00 N ATOM 1188 CA PRO A 75 7.018 16.358 -6.334 1.00 0.00 C ATOM 1189 C PRO A 75 7.935 15.307 -5.718 1.00 0.00 C ATOM 1190 O PRO A 75 8.858 14.815 -6.369 1.00 0.00 O ATOM 1191 CB PRO A 75 7.605 17.758 -6.145 1.00 0.00 C ATOM 1192 CG PRO A 75 6.955 18.278 -4.909 1.00 0.00 C ATOM 1193 CD PRO A 75 5.571 17.689 -4.890 1.00 0.00 C ATOM 0 HA PRO A 75 6.911 16.064 -7.378 1.00 0.00 H new ATOM 0 HB2 PRO A 75 8.689 17.721 -6.037 1.00 0.00 H new ATOM 0 HB3 PRO A 75 7.392 18.396 -7.003 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.516 17.986 -4.021 1.00 0.00 H new ATOM 0 HG3 PRO A 75 6.916 19.367 -4.917 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.228 17.502 -3.872 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.844 18.355 -5.354 1.00 0.00 H new ATOM 1201 N LEU A 76 7.677 14.967 -4.460 1.00 0.00 N ATOM 1202 CA LEU A 76 8.480 13.973 -3.756 1.00 0.00 C ATOM 1203 C LEU A 76 8.333 12.599 -4.400 1.00 0.00 C ATOM 1204 O LEU A 76 9.321 11.979 -4.796 1.00 0.00 O ATOM 1205 CB LEU A 76 8.067 13.906 -2.284 1.00 0.00 C ATOM 1206 CG LEU A 76 8.796 12.868 -1.430 1.00 0.00 C ATOM 1207 CD1 LEU A 76 10.166 13.382 -1.018 1.00 0.00 C ATOM 1208 CD2 LEU A 76 7.968 12.509 -0.205 1.00 0.00 C ATOM 0 H LEU A 76 6.918 15.365 -3.907 1.00 0.00 H new ATOM 0 HA LEU A 76 9.526 14.274 -3.821 1.00 0.00 H new ATOM 0 HB2 LEU A 76 8.223 14.888 -1.838 1.00 0.00 H new ATOM 0 HB3 LEU A 76 6.998 13.700 -2.236 1.00 0.00 H new ATOM 0 HG LEU A 76 8.934 11.967 -2.027 1.00 0.00 H new ATOM 0 HD11 LEU A 76 10.669 12.630 -0.411 1.00 0.00 H new ATOM 0 HD12 LEU A 76 10.760 13.587 -1.908 1.00 0.00 H new ATOM 0 HD13 LEU A 76 10.052 14.298 -0.439 1.00 0.00 H new ATOM 0 HD21 LEU A 76 8.502 11.769 0.391 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.798 13.404 0.394 1.00 0.00 H new ATOM 0 HD23 LEU A 76 7.010 12.097 -0.521 1.00 0.00 H new ATOM 1220 N TYR A 77 7.095 12.129 -4.504 1.00 0.00 N ATOM 1221 CA TYR A 77 6.819 10.827 -5.101 1.00 0.00 C ATOM 1222 C TYR A 77 7.157 10.827 -6.589 1.00 0.00 C ATOM 1223 O TYR A 77 7.756 9.882 -7.101 1.00 0.00 O ATOM 1224 CB TYR A 77 5.350 10.452 -4.899 1.00 0.00 C ATOM 1225 CG TYR A 77 5.048 9.907 -3.522 1.00 0.00 C ATOM 1226 CD1 TYR A 77 5.309 8.580 -3.205 1.00 0.00 C ATOM 1227 CD2 TYR A 77 4.500 10.720 -2.537 1.00 0.00 C ATOM 1228 CE1 TYR A 77 5.033 8.078 -1.948 1.00 0.00 C ATOM 1229 CE2 TYR A 77 4.223 10.227 -1.277 1.00 0.00 C ATOM 1230 CZ TYR A 77 4.491 8.906 -0.987 1.00 0.00 C ATOM 1231 OH TYR A 77 4.215 8.410 0.267 1.00 0.00 O ATOM 0 H TYR A 77 6.267 12.630 -4.183 1.00 0.00 H new ATOM 0 HA TYR A 77 7.447 10.087 -4.605 1.00 0.00 H new ATOM 0 HB2 TYR A 77 4.732 11.332 -5.076 1.00 0.00 H new ATOM 0 HB3 TYR A 77 5.068 9.709 -5.645 1.00 0.00 H new ATOM 0 HD1 TYR A 77 5.735 7.929 -3.954 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.287 11.755 -2.761 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.240 7.043 -1.719 1.00 0.00 H new ATOM 0 HE2 TYR A 77 3.799 10.873 -0.523 1.00 0.00 H new ATOM 0 HH TYR A 77 3.838 9.122 0.825 1.00 0.00 H new ATOM 1241 N ASP A 78 6.767 11.895 -7.277 1.00 0.00 N ATOM 1242 CA ASP A 78 7.029 12.021 -8.706 1.00 0.00 C ATOM 1243 C ASP A 78 8.509 11.810 -9.008 1.00 0.00 C ATOM 1244 O ASP A 78 8.867 11.232 -10.033 1.00 0.00 O ATOM 1245 CB ASP A 78 6.583 13.395 -9.208 1.00 0.00 C ATOM 1246 CG ASP A 78 6.046 13.347 -10.625 1.00 0.00 C ATOM 1247 OD1 ASP A 78 6.613 12.601 -11.449 1.00 0.00 O ATOM 1248 OD2 ASP A 78 5.058 14.057 -10.909 1.00 0.00 O ATOM 0 H ASP A 78 6.269 12.685 -6.868 1.00 0.00 H new ATOM 0 HA ASP A 78 6.458 11.251 -9.225 1.00 0.00 H new ATOM 0 HB2 ASP A 78 5.814 13.789 -8.544 1.00 0.00 H new ATOM 0 HB3 ASP A 78 7.425 14.085 -9.165 1.00 0.00 H new ATOM 1253 N MET A 79 9.365 12.285 -8.108 1.00 0.00 N ATOM 1254 CA MET A 79 10.806 12.149 -8.279 1.00 0.00 C ATOM 1255 C MET A 79 11.264 10.737 -7.926 1.00 0.00 C ATOM 1256 O MET A 79 11.977 10.093 -8.697 1.00 0.00 O ATOM 1257 CB MET A 79 11.543 13.169 -7.409 1.00 0.00 C ATOM 1258 CG MET A 79 12.997 12.809 -7.150 1.00 0.00 C ATOM 1259 SD MET A 79 13.195 11.676 -5.761 1.00 0.00 S ATOM 1260 CE MET A 79 13.155 12.820 -4.383 1.00 0.00 C ATOM 0 H MET A 79 9.085 12.767 -7.254 1.00 0.00 H new ATOM 0 HA MET A 79 11.042 12.338 -9.326 1.00 0.00 H new ATOM 0 HB2 MET A 79 11.499 14.145 -7.892 1.00 0.00 H new ATOM 0 HB3 MET A 79 11.025 13.262 -6.455 1.00 0.00 H new ATOM 0 HG2 MET A 79 13.420 12.356 -8.047 1.00 0.00 H new ATOM 0 HG3 MET A 79 13.564 13.720 -6.955 1.00 0.00 H new ATOM 0 HE1 MET A 79 13.195 12.263 -3.447 1.00 0.00 H new ATOM 0 HE2 MET A 79 14.012 13.491 -4.443 1.00 0.00 H new ATOM 0 HE3 MET A 79 12.234 13.402 -4.420 1.00 0.00 H new ATOM 1270 N LEU A 80 10.852 10.262 -6.756 1.00 0.00 N ATOM 1271 CA LEU A 80 11.220 8.926 -6.300 1.00 0.00 C ATOM 1272 C LEU A 80 10.824 7.871 -7.328 1.00 0.00 C ATOM 1273 O LEU A 80 11.514 6.865 -7.497 1.00 0.00 O ATOM 1274 CB LEU A 80 10.553 8.621 -4.958 1.00 0.00 C ATOM 1275 CG LEU A 80 10.944 9.530 -3.792 1.00 0.00 C ATOM 1276 CD1 LEU A 80 10.033 9.290 -2.599 1.00 0.00 C ATOM 1277 CD2 LEU A 80 12.400 9.308 -3.407 1.00 0.00 C ATOM 0 H LEU A 80 10.263 10.782 -6.106 1.00 0.00 H new ATOM 0 HA LEU A 80 12.303 8.898 -6.176 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.473 8.678 -5.091 1.00 0.00 H new ATOM 0 HB3 LEU A 80 10.786 7.592 -4.684 1.00 0.00 H new ATOM 0 HG LEU A 80 10.827 10.566 -4.110 1.00 0.00 H new ATOM 0 HD11 LEU A 80 10.327 9.946 -1.779 1.00 0.00 H new ATOM 0 HD12 LEU A 80 9.001 9.501 -2.881 1.00 0.00 H new ATOM 0 HD13 LEU A 80 10.117 8.251 -2.280 1.00 0.00 H new ATOM 0 HD21 LEU A 80 12.661 9.963 -2.576 1.00 0.00 H new ATOM 0 HD22 LEU A 80 12.543 8.269 -3.109 1.00 0.00 H new ATOM 0 HD23 LEU A 80 13.040 9.532 -4.260 1.00 0.00 H new ATOM 1289 N ARG A 81 9.711 8.110 -8.014 1.00 0.00 N ATOM 1290 CA ARG A 81 9.224 7.181 -9.027 1.00 0.00 C ATOM 1291 C ARG A 81 10.373 6.667 -9.891 1.00 0.00 C ATOM 1292 O ARG A 81 10.535 5.460 -10.073 1.00 0.00 O ATOM 1293 CB ARG A 81 8.173 7.859 -9.908 1.00 0.00 C ATOM 1294 CG ARG A 81 8.604 8.018 -11.357 1.00 0.00 C ATOM 1295 CD ARG A 81 7.475 8.564 -12.217 1.00 0.00 C ATOM 1296 NE ARG A 81 7.248 7.746 -13.406 1.00 0.00 N ATOM 1297 CZ ARG A 81 6.556 6.612 -13.397 1.00 0.00 C ATOM 1298 NH1 ARG A 81 6.027 6.164 -12.267 1.00 0.00 N ATOM 1299 NH2 ARG A 81 6.393 5.924 -14.520 1.00 0.00 N ATOM 0 H ARG A 81 9.130 8.939 -7.887 1.00 0.00 H new ATOM 0 HA ARG A 81 8.768 6.333 -8.517 1.00 0.00 H new ATOM 0 HB2 ARG A 81 7.252 7.277 -9.873 1.00 0.00 H new ATOM 0 HB3 ARG A 81 7.945 8.842 -9.496 1.00 0.00 H new ATOM 0 HG2 ARG A 81 9.461 8.689 -11.411 1.00 0.00 H new ATOM 0 HG3 ARG A 81 8.928 7.054 -11.749 1.00 0.00 H new ATOM 0 HD2 ARG A 81 6.559 8.609 -11.627 1.00 0.00 H new ATOM 0 HD3 ARG A 81 7.710 9.585 -12.519 1.00 0.00 H new ATOM 0 HE ARG A 81 7.642 8.063 -14.292 1.00 0.00 H new ATOM 0 HH11 ARG A 81 6.151 6.690 -11.402 1.00 0.00 H new ATOM 0 HH12 ARG A 81 5.496 5.293 -12.263 1.00 0.00 H new ATOM 0 HH21 ARG A 81 6.799 6.266 -15.391 1.00 0.00 H new ATOM 0 HH22 ARG A 81 5.862 5.053 -14.512 1.00 0.00 H new ATOM 1313 N LYS A 82 11.167 7.591 -10.421 1.00 0.00 N ATOM 1314 CA LYS A 82 12.301 7.233 -11.265 1.00 0.00 C ATOM 1315 C LYS A 82 13.617 7.429 -10.519 1.00 0.00 C ATOM 1316 O LYS A 82 14.691 7.157 -11.055 1.00 0.00 O ATOM 1317 CB LYS A 82 12.297 8.074 -12.543 1.00 0.00 C ATOM 1318 CG LYS A 82 13.313 9.203 -12.533 1.00 0.00 C ATOM 1319 CD LYS A 82 12.994 10.230 -11.459 1.00 0.00 C ATOM 1320 CE LYS A 82 11.590 10.791 -11.624 1.00 0.00 C ATOM 1321 NZ LYS A 82 11.573 12.278 -11.543 1.00 0.00 N ATOM 0 H LYS A 82 11.046 8.594 -10.281 1.00 0.00 H new ATOM 0 HA LYS A 82 12.207 6.180 -11.530 1.00 0.00 H new ATOM 0 HB2 LYS A 82 12.497 7.425 -13.395 1.00 0.00 H new ATOM 0 HB3 LYS A 82 11.302 8.494 -12.688 1.00 0.00 H new ATOM 0 HG2 LYS A 82 14.310 8.795 -12.364 1.00 0.00 H new ATOM 0 HG3 LYS A 82 13.329 9.688 -13.509 1.00 0.00 H new ATOM 0 HD2 LYS A 82 13.090 9.771 -10.475 1.00 0.00 H new ATOM 0 HD3 LYS A 82 13.719 11.042 -11.504 1.00 0.00 H new ATOM 0 HE2 LYS A 82 11.183 10.475 -12.585 1.00 0.00 H new ATOM 0 HE3 LYS A 82 10.941 10.378 -10.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.618 12.601 -11.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 12.251 12.594 -10.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 11.838 12.679 -12.465 1.00 0.00 H new ATOM 1335 N ASN A 83 13.526 7.902 -9.280 1.00 0.00 N ATOM 1336 CA ASN A 83 14.710 8.133 -8.461 1.00 0.00 C ATOM 1337 C ASN A 83 14.927 6.983 -7.482 1.00 0.00 C ATOM 1338 O ASN A 83 15.995 6.370 -7.455 1.00 0.00 O ATOM 1339 CB ASN A 83 14.577 9.451 -7.695 1.00 0.00 C ATOM 1340 CG ASN A 83 15.502 9.519 -6.496 1.00 0.00 C ATOM 1341 OD1 ASN A 83 16.716 9.666 -6.642 1.00 0.00 O ATOM 1342 ND2 ASN A 83 14.931 9.411 -5.302 1.00 0.00 N ATOM 0 H ASN A 83 12.645 8.133 -8.821 1.00 0.00 H new ATOM 0 HA ASN A 83 15.574 8.191 -9.124 1.00 0.00 H new ATOM 0 HB2 ASN A 83 14.795 10.282 -8.366 1.00 0.00 H new ATOM 0 HB3 ASN A 83 13.546 9.572 -7.362 1.00 0.00 H new ATOM 0 HD21 ASN A 83 15.503 9.449 -4.458 1.00 0.00 H new ATOM 0 HD22 ASN A 83 13.921 9.290 -5.229 1.00 0.00 H new ATOM 1349 N LEU A 84 13.908 6.695 -6.681 1.00 0.00 N ATOM 1350 CA LEU A 84 13.986 5.618 -5.700 1.00 0.00 C ATOM 1351 C LEU A 84 14.183 4.270 -6.387 1.00 0.00 C ATOM 1352 O LEU A 84 13.222 3.636 -6.822 1.00 0.00 O ATOM 1353 CB LEU A 84 12.718 5.586 -4.846 1.00 0.00 C ATOM 1354 CG LEU A 84 12.787 4.741 -3.573 1.00 0.00 C ATOM 1355 CD1 LEU A 84 14.206 4.712 -3.028 1.00 0.00 C ATOM 1356 CD2 LEU A 84 11.821 5.276 -2.525 1.00 0.00 C ATOM 0 H LEU A 84 13.017 7.192 -6.691 1.00 0.00 H new ATOM 0 HA LEU A 84 14.845 5.808 -5.057 1.00 0.00 H new ATOM 0 HB2 LEU A 84 12.467 6.609 -4.566 1.00 0.00 H new ATOM 0 HB3 LEU A 84 11.899 5.214 -5.461 1.00 0.00 H new ATOM 0 HG LEU A 84 12.494 3.721 -3.820 1.00 0.00 H new ATOM 0 HD11 LEU A 84 14.236 4.106 -2.122 1.00 0.00 H new ATOM 0 HD12 LEU A 84 14.874 4.282 -3.774 1.00 0.00 H new ATOM 0 HD13 LEU A 84 14.527 5.727 -2.796 1.00 0.00 H new ATOM 0 HD21 LEU A 84 11.883 4.663 -1.626 1.00 0.00 H new ATOM 0 HD22 LEU A 84 12.083 6.306 -2.281 1.00 0.00 H new ATOM 0 HD23 LEU A 84 10.804 5.243 -2.917 1.00 0.00 H new ATOM 1368 N VAL A 85 15.437 3.836 -6.479 1.00 0.00 N ATOM 1369 CA VAL A 85 15.761 2.562 -7.109 1.00 0.00 C ATOM 1370 C VAL A 85 14.847 1.451 -6.603 1.00 0.00 C ATOM 1371 O VAL A 85 15.140 0.799 -5.600 1.00 0.00 O ATOM 1372 CB VAL A 85 17.226 2.165 -6.850 1.00 0.00 C ATOM 1373 CG1 VAL A 85 17.491 0.750 -7.343 1.00 0.00 C ATOM 1374 CG2 VAL A 85 18.171 3.155 -7.513 1.00 0.00 C ATOM 0 H VAL A 85 16.245 4.349 -6.125 1.00 0.00 H new ATOM 0 HA VAL A 85 15.612 2.691 -8.181 1.00 0.00 H new ATOM 0 HB VAL A 85 17.406 2.189 -5.775 1.00 0.00 H new ATOM 0 HG11 VAL A 85 18.531 0.487 -7.152 1.00 0.00 H new ATOM 0 HG12 VAL A 85 16.838 0.053 -6.818 1.00 0.00 H new ATOM 0 HG13 VAL A 85 17.294 0.695 -8.414 1.00 0.00 H new ATOM 0 HG21 VAL A 85 19.202 2.859 -7.320 1.00 0.00 H new ATOM 0 HG22 VAL A 85 17.992 3.165 -8.588 1.00 0.00 H new ATOM 0 HG23 VAL A 85 17.997 4.152 -7.107 1.00 0.00 H new ATOM 1499 N PHE B 119 11.516 19.229 11.830 1.00 0.00 N ATOM 1500 CA PHE B 119 11.160 18.427 10.666 1.00 0.00 C ATOM 1501 C PHE B 119 10.444 17.147 11.085 1.00 0.00 C ATOM 1502 O PHE B 119 9.607 16.622 10.351 1.00 0.00 O ATOM 1503 CB PHE B 119 12.410 18.084 9.854 1.00 0.00 C ATOM 1504 CG PHE B 119 12.157 17.983 8.377 1.00 0.00 C ATOM 1505 CD1 PHE B 119 10.863 17.950 7.883 1.00 0.00 C ATOM 1506 CD2 PHE B 119 13.213 17.922 7.482 1.00 0.00 C ATOM 1507 CE1 PHE B 119 10.628 17.856 6.524 1.00 0.00 C ATOM 1508 CE2 PHE B 119 12.984 17.828 6.122 1.00 0.00 C ATOM 1509 CZ PHE B 119 11.689 17.797 5.643 1.00 0.00 C ATOM 0 HA PHE B 119 10.483 19.014 10.046 1.00 0.00 H new ATOM 0 HB2 PHE B 119 13.170 18.845 10.033 1.00 0.00 H new ATOM 0 HB3 PHE B 119 12.816 17.137 10.210 1.00 0.00 H new ATOM 0 HD1 PHE B 119 10.029 17.998 8.567 1.00 0.00 H new ATOM 0 HD2 PHE B 119 14.227 17.948 7.851 1.00 0.00 H new ATOM 0 HE1 PHE B 119 9.615 17.829 6.152 1.00 0.00 H new ATOM 0 HE2 PHE B 119 13.816 17.779 5.435 1.00 0.00 H new ATOM 0 HZ PHE B 119 11.507 17.727 4.581 1.00 0.00 H new ATOM 1519 N SER B 120 10.781 16.649 12.271 1.00 0.00 N ATOM 1520 CA SER B 120 10.174 15.428 12.787 1.00 0.00 C ATOM 1521 C SER B 120 8.683 15.627 13.042 1.00 0.00 C ATOM 1522 O SER B 120 7.892 14.690 12.927 1.00 0.00 O ATOM 1523 CB SER B 120 10.870 14.995 14.079 1.00 0.00 C ATOM 1524 OG SER B 120 11.355 13.667 13.977 1.00 0.00 O ATOM 0 H SER B 120 11.471 17.072 12.892 1.00 0.00 H new ATOM 0 HA SER B 120 10.295 14.647 12.037 1.00 0.00 H new ATOM 0 HB2 SER B 120 11.697 15.672 14.295 1.00 0.00 H new ATOM 0 HB3 SER B 120 10.172 15.068 14.913 1.00 0.00 H new ATOM 0 HG SER B 120 11.797 13.415 14.815 1.00 0.00 H new ATOM 1530 N ASP B 121 8.307 16.853 13.388 1.00 0.00 N ATOM 1531 CA ASP B 121 6.911 17.177 13.658 1.00 0.00 C ATOM 1532 C ASP B 121 6.087 17.142 12.374 1.00 0.00 C ATOM 1533 O ASP B 121 4.943 16.686 12.371 1.00 0.00 O ATOM 1534 CB ASP B 121 6.803 18.556 14.310 1.00 0.00 C ATOM 1535 CG ASP B 121 5.366 18.955 14.585 1.00 0.00 C ATOM 1536 OD1 ASP B 121 4.507 18.717 13.711 1.00 0.00 O ATOM 1537 OD2 ASP B 121 5.101 19.507 15.674 1.00 0.00 O ATOM 0 H ASP B 121 8.949 17.639 13.488 1.00 0.00 H new ATOM 0 HA ASP B 121 6.515 16.427 14.343 1.00 0.00 H new ATOM 0 HB2 ASP B 121 7.363 18.557 15.245 1.00 0.00 H new ATOM 0 HB3 ASP B 121 7.266 19.299 13.660 1.00 0.00 H new ATOM 1542 N LEU B 122 6.675 17.627 11.286 1.00 0.00 N ATOM 1543 CA LEU B 122 5.995 17.652 9.996 1.00 0.00 C ATOM 1544 C LEU B 122 6.353 16.422 9.168 1.00 0.00 C ATOM 1545 O LEU B 122 5.480 15.640 8.790 1.00 0.00 O ATOM 1546 CB LEU B 122 6.364 18.922 9.228 1.00 0.00 C ATOM 1547 CG LEU B 122 5.475 20.141 9.481 1.00 0.00 C ATOM 1548 CD1 LEU B 122 4.678 19.963 10.764 1.00 0.00 C ATOM 1549 CD2 LEU B 122 6.314 21.409 9.544 1.00 0.00 C ATOM 0 H LEU B 122 7.621 18.008 11.271 1.00 0.00 H new ATOM 0 HA LEU B 122 4.921 17.644 10.179 1.00 0.00 H new ATOM 0 HB2 LEU B 122 7.391 19.188 9.478 1.00 0.00 H new ATOM 0 HB3 LEU B 122 6.343 18.697 8.162 1.00 0.00 H new ATOM 0 HG LEU B 122 4.774 20.234 8.652 1.00 0.00 H new ATOM 0 HD11 LEU B 122 4.051 20.840 10.928 1.00 0.00 H new ATOM 0 HD12 LEU B 122 4.048 19.077 10.681 1.00 0.00 H new ATOM 0 HD13 LEU B 122 5.362 19.844 11.604 1.00 0.00 H new ATOM 0 HD21 LEU B 122 5.665 22.266 9.725 1.00 0.00 H new ATOM 0 HD22 LEU B 122 7.039 21.326 10.354 1.00 0.00 H new ATOM 0 HD23 LEU B 122 6.840 21.545 8.599 1.00 0.00 H new ATOM 1561 N TRP B 123 7.641 16.256 8.891 1.00 0.00 N ATOM 1562 CA TRP B 123 8.115 15.119 8.110 1.00 0.00 C ATOM 1563 C TRP B 123 7.293 13.871 8.412 1.00 0.00 C ATOM 1564 O TRP B 123 6.792 13.210 7.502 1.00 0.00 O ATOM 1565 CB TRP B 123 9.593 14.854 8.400 1.00 0.00 C ATOM 1566 CG TRP B 123 10.243 13.950 7.397 1.00 0.00 C ATOM 1567 CD1 TRP B 123 10.825 12.739 7.642 1.00 0.00 C ATOM 1568 CD2 TRP B 123 10.378 14.185 5.992 1.00 0.00 C ATOM 1569 NE1 TRP B 123 11.314 12.207 6.473 1.00 0.00 N ATOM 1570 CE2 TRP B 123 11.052 13.075 5.446 1.00 0.00 C ATOM 1571 CE3 TRP B 123 9.994 15.225 5.141 1.00 0.00 C ATOM 1572 CZ2 TRP B 123 11.349 12.978 4.089 1.00 0.00 C ATOM 1573 CZ3 TRP B 123 10.290 15.128 3.794 1.00 0.00 C ATOM 1574 CH2 TRP B 123 10.961 14.011 3.279 1.00 0.00 C ATOM 0 H TRP B 123 8.376 16.894 9.196 1.00 0.00 H new ATOM 0 HA TRP B 123 7.998 15.362 7.054 1.00 0.00 H new ATOM 0 HB2 TRP B 123 10.127 15.804 8.422 1.00 0.00 H new ATOM 0 HB3 TRP B 123 9.688 14.412 9.392 1.00 0.00 H new ATOM 0 HD1 TRP B 123 10.891 12.269 8.612 1.00 0.00 H new ATOM 0 HE1 TRP B 123 11.794 11.311 6.384 1.00 0.00 H new ATOM 0 HE3 TRP B 123 9.475 16.089 5.529 1.00 0.00 H new ATOM 0 HZ2 TRP B 123 11.867 12.118 3.690 1.00 0.00 H new ATOM 0 HZ3 TRP B 123 9.999 15.927 3.128 1.00 0.00 H new ATOM 0 HH2 TRP B 123 11.176 13.964 2.222 1.00 0.00 H new ATOM 1585 N LYS B 124 7.158 13.552 9.695 1.00 0.00 N ATOM 1586 CA LYS B 124 6.396 12.384 10.117 1.00 0.00 C ATOM 1587 C LYS B 124 5.102 12.260 9.319 1.00 0.00 C ATOM 1588 O LYS B 124 4.753 11.178 8.845 1.00 0.00 O ATOM 1589 CB LYS B 124 6.079 12.469 11.612 1.00 0.00 C ATOM 1590 CG LYS B 124 5.033 13.516 11.953 1.00 0.00 C ATOM 1591 CD LYS B 124 4.875 13.677 13.456 1.00 0.00 C ATOM 1592 CE LYS B 124 3.648 12.939 13.969 1.00 0.00 C ATOM 1593 NZ LYS B 124 3.624 12.871 15.457 1.00 0.00 N ATOM 0 H LYS B 124 7.567 14.087 10.461 1.00 0.00 H new ATOM 0 HA LYS B 124 7.004 11.499 9.930 1.00 0.00 H new ATOM 0 HB2 LYS B 124 5.732 11.495 11.957 1.00 0.00 H new ATOM 0 HB3 LYS B 124 6.996 12.693 12.157 1.00 0.00 H new ATOM 0 HG2 LYS B 124 5.316 14.472 11.511 1.00 0.00 H new ATOM 0 HG3 LYS B 124 4.076 13.233 11.514 1.00 0.00 H new ATOM 0 HD2 LYS B 124 5.765 13.299 13.959 1.00 0.00 H new ATOM 0 HD3 LYS B 124 4.794 14.736 13.703 1.00 0.00 H new ATOM 0 HE2 LYS B 124 2.748 13.440 13.614 1.00 0.00 H new ATOM 0 HE3 LYS B 124 3.634 11.929 13.559 1.00 0.00 H new ATOM 0 HZ1 LYS B 124 2.773 12.361 15.768 1.00 0.00 H new ATOM 0 HZ2 LYS B 124 4.470 12.370 15.795 1.00 0.00 H new ATOM 0 HZ3 LYS B 124 3.612 13.834 15.848 1.00 0.00 H new ATOM 1607 N LEU B 125 4.394 13.375 9.172 1.00 0.00 N ATOM 1608 CA LEU B 125 3.139 13.392 8.429 1.00 0.00 C ATOM 1609 C LEU B 125 3.335 12.854 7.016 1.00 0.00 C ATOM 1610 O LEU B 125 2.453 12.198 6.461 1.00 0.00 O ATOM 1611 CB LEU B 125 2.576 14.813 8.372 1.00 0.00 C ATOM 1612 CG LEU B 125 1.065 14.945 8.560 1.00 0.00 C ATOM 1613 CD1 LEU B 125 0.624 16.386 8.352 1.00 0.00 C ATOM 1614 CD2 LEU B 125 0.326 14.017 7.607 1.00 0.00 C ATOM 0 H LEU B 125 4.668 14.279 9.558 1.00 0.00 H new ATOM 0 HA LEU B 125 2.430 12.747 8.948 1.00 0.00 H new ATOM 0 HB2 LEU B 125 3.071 15.409 9.139 1.00 0.00 H new ATOM 0 HB3 LEU B 125 2.841 15.249 7.409 1.00 0.00 H new ATOM 0 HG LEU B 125 0.819 14.656 9.582 1.00 0.00 H new ATOM 0 HD11 LEU B 125 -0.455 16.460 8.490 1.00 0.00 H new ATOM 0 HD12 LEU B 125 1.127 17.028 9.075 1.00 0.00 H new ATOM 0 HD13 LEU B 125 0.883 16.704 7.342 1.00 0.00 H new ATOM 0 HD21 LEU B 125 -0.749 14.124 7.755 1.00 0.00 H new ATOM 0 HD22 LEU B 125 0.578 14.275 6.579 1.00 0.00 H new ATOM 0 HD23 LEU B 125 0.618 12.986 7.804 1.00 0.00 H new ATOM 1626 N LEU B 126 4.498 13.134 6.438 1.00 0.00 N ATOM 1627 CA LEU B 126 4.813 12.676 5.089 1.00 0.00 C ATOM 1628 C LEU B 126 4.549 11.180 4.946 1.00 0.00 C ATOM 1629 O LEU B 126 5.231 10.345 5.540 1.00 0.00 O ATOM 1630 CB LEU B 126 6.273 12.982 4.753 1.00 0.00 C ATOM 1631 CG LEU B 126 6.628 13.010 3.265 1.00 0.00 C ATOM 1632 CD1 LEU B 126 5.625 13.854 2.493 1.00 0.00 C ATOM 1633 CD2 LEU B 126 8.040 13.539 3.064 1.00 0.00 C ATOM 0 H LEU B 126 5.239 13.676 6.883 1.00 0.00 H new ATOM 0 HA LEU B 126 4.167 13.209 4.391 1.00 0.00 H new ATOM 0 HB2 LEU B 126 6.529 13.949 5.185 1.00 0.00 H new ATOM 0 HB3 LEU B 126 6.901 12.237 5.242 1.00 0.00 H new ATOM 0 HG LEU B 126 6.585 11.991 2.881 1.00 0.00 H new ATOM 0 HD11 LEU B 126 5.893 13.862 1.437 1.00 0.00 H new ATOM 0 HD12 LEU B 126 4.627 13.431 2.611 1.00 0.00 H new ATOM 0 HD13 LEU B 126 5.635 14.874 2.878 1.00 0.00 H new ATOM 0 HD21 LEU B 126 8.276 13.552 2.000 1.00 0.00 H new ATOM 0 HD22 LEU B 126 8.110 14.551 3.463 1.00 0.00 H new ATOM 0 HD23 LEU B 126 8.748 12.894 3.584 1.00 0.00 H new