USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 576 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 3 ASN : amide:sc= -1.89! C(o=-1.9!,f=-3.2!) USER MOD Set 1.2: A 4 GLN : amide:sc= 0 X(o=-1.9,f=-1.9) USER MOD Single : A 1 MET CE :methyl 159:sc= -0.136 (180deg=-0.756) USER MOD Single : A 1 MET N :NH3+ 177:sc= 1.23 (180deg=1.15) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=-0.00053) USER MOD Single : A 9 LYS NZ :NH3+ -174:sc= 1.18 (180deg=1.03) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 180:sc= 0.00891 USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=-0.00097) USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl 164:sc= -0.656 (180deg=-1.19) USER MOD Single : A 27 SER OG : rot 79:sc= 0.599 USER MOD Single : A 32 GLN : amide:sc= -1.14 K(o=-1.1,f=-8.3!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -161:sc= -0.0837 (180deg=-0.394) USER MOD Single : A 35 SER OG : rot 180:sc= -0.0187 USER MOD Single : A 43 ASN :FLIP amide:sc= -2.19! C(o=-3.1!,f=-2.2!) USER MOD Single : A 47 ASN : amide:sc= -0.761! C(o=-0.76!,f=-11!) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 THR OG1 : rot -129:sc= 0.874 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.0245 K(o=-0.025,f=-1) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ -144:sc= 0.15 (180deg=0) USER MOD Single : A 71 CYS SG : rot 84:sc= 0.576 USER MOD Single : A 72 HIS : no HE2:sc= 1.22 K(o=1.2,f=-3.7!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0.884 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 56:sc= 1.29 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.112 24.254 2.380 1.00 35.31 N ATOM 2 CA MET A 1 4.386 24.084 3.827 1.00 73.24 C ATOM 3 C MET A 1 3.096 24.221 4.630 1.00 0.25 C ATOM 4 O MET A 1 2.713 23.309 5.362 1.00 45.43 O ATOM 5 CB MET A 1 5.412 25.118 4.298 1.00 70.41 C ATOM 6 CG MET A 1 5.798 24.976 5.762 1.00 64.23 C ATOM 7 SD MET A 1 6.972 26.235 6.300 1.00 11.40 S ATOM 8 CE MET A 1 6.013 27.726 6.037 1.00 32.42 C ATOM 0 H1 MET A 1 5.006 24.209 1.850 1.00 35.31 H new ATOM 0 H2 MET A 1 3.478 23.496 2.055 1.00 35.31 H new ATOM 0 H3 MET A 1 3.660 25.176 2.218 1.00 35.31 H new ATOM 0 HA MET A 1 4.794 23.086 3.988 1.00 73.24 H new ATOM 0 HB2 MET A 1 6.309 25.031 3.685 1.00 70.41 H new ATOM 0 HB3 MET A 1 5.009 26.117 4.133 1.00 70.41 H new ATOM 0 HG2 MET A 1 4.900 25.036 6.377 1.00 64.23 H new ATOM 0 HG3 MET A 1 6.231 23.989 5.925 1.00 64.23 H new ATOM 0 HE1 MET A 1 6.421 28.533 6.645 1.00 32.42 H new ATOM 0 HE2 MET A 1 6.057 28.006 4.985 1.00 32.42 H new ATOM 0 HE3 MET A 1 4.976 27.547 6.321 1.00 32.42 H new ATOM 15 N ASN A 2 2.438 25.368 4.499 1.00 30.22 N ATOM 16 CA ASN A 2 1.130 25.567 5.111 1.00 70.53 C ATOM 17 C ASN A 2 0.087 24.861 4.259 1.00 33.45 C ATOM 18 O ASN A 2 -0.642 23.985 4.726 1.00 45.14 O ATOM 19 CB ASN A 2 0.810 27.060 5.223 1.00 25.45 C ATOM 20 CG ASN A 2 -0.527 27.316 5.891 1.00 23.43 C ATOM 21 OD1 ASN A 2 -1.557 27.438 5.228 1.00 42.10 O ATOM 22 ND2 ASN A 2 -0.519 27.384 7.213 1.00 1.30 N ATOM 0 H ASN A 2 2.788 26.171 3.976 1.00 30.22 H new ATOM 0 HA ASN A 2 1.127 25.151 6.119 1.00 70.53 H new ATOM 0 HB2 ASN A 2 1.597 27.556 5.790 1.00 25.45 H new ATOM 0 HB3 ASN A 2 0.807 27.504 4.227 1.00 25.45 H new ATOM 0 HD21 ASN A 2 -1.389 27.543 7.721 1.00 1.30 H new ATOM 0 HD22 ASN A 2 0.357 27.277 7.724 1.00 1.30 H new ATOM 28 N ASN A 3 0.035 25.265 3.002 1.00 21.15 N ATOM 29 CA ASN A 3 -0.673 24.520 1.981 1.00 51.23 C ATOM 30 C ASN A 3 0.358 23.774 1.149 1.00 2.22 C ATOM 31 O ASN A 3 1.454 24.296 0.915 1.00 23.23 O ATOM 32 CB ASN A 3 -1.521 25.452 1.102 1.00 40.33 C ATOM 33 CG ASN A 3 -2.170 24.728 -0.059 1.00 11.53 C ATOM 34 OD1 ASN A 3 -1.632 24.694 -1.167 1.00 44.43 O ATOM 35 ND2 ASN A 3 -3.323 24.131 0.188 1.00 60.11 N ATOM 0 H ASN A 3 0.482 26.117 2.663 1.00 21.15 H new ATOM 0 HA ASN A 3 -1.362 23.814 2.445 1.00 51.23 H new ATOM 0 HB2 ASN A 3 -2.294 25.917 1.713 1.00 40.33 H new ATOM 0 HB3 ASN A 3 -0.892 26.255 0.718 1.00 40.33 H new ATOM 0 HD21 ASN A 3 -3.801 23.618 -0.553 1.00 60.11 H new ATOM 0 HD22 ASN A 3 -3.735 24.183 1.120 1.00 60.11 H new ATOM 41 N GLN A 4 0.025 22.549 0.745 1.00 14.45 N ATOM 42 CA GLN A 4 0.955 21.673 0.033 1.00 51.23 C ATOM 43 C GLN A 4 2.069 21.231 0.962 1.00 2.45 C ATOM 44 O GLN A 4 3.011 21.971 1.254 1.00 70.04 O ATOM 45 CB GLN A 4 1.517 22.346 -1.215 1.00 53.13 C ATOM 46 CG GLN A 4 0.450 22.619 -2.247 1.00 1.50 C ATOM 47 CD GLN A 4 0.949 23.474 -3.393 1.00 3.53 C ATOM 48 OE1 GLN A 4 1.425 22.962 -4.406 1.00 11.24 O ATOM 49 NE2 GLN A 4 0.835 24.782 -3.246 1.00 14.44 N ATOM 0 H GLN A 4 -0.895 22.136 0.901 1.00 14.45 H new ATOM 0 HA GLN A 4 0.405 20.792 -0.298 1.00 51.23 H new ATOM 0 HB2 GLN A 4 1.997 23.284 -0.935 1.00 53.13 H new ATOM 0 HB3 GLN A 4 2.288 21.711 -1.652 1.00 53.13 H new ATOM 0 HG2 GLN A 4 0.080 21.672 -2.640 1.00 1.50 H new ATOM 0 HG3 GLN A 4 -0.393 23.117 -1.768 1.00 1.50 H new ATOM 0 HE21 GLN A 4 0.435 25.166 -2.390 1.00 14.44 H new ATOM 0 HE22 GLN A 4 1.147 25.408 -3.988 1.00 14.44 H new ATOM 56 N VAL A 5 1.940 20.013 1.427 1.00 64.22 N ATOM 57 CA VAL A 5 2.776 19.505 2.489 1.00 51.13 C ATOM 58 C VAL A 5 3.673 18.386 2.003 1.00 45.14 C ATOM 59 O VAL A 5 3.700 18.062 0.813 1.00 44.32 O ATOM 60 CB VAL A 5 1.898 19.008 3.650 1.00 74.24 C ATOM 61 CG1 VAL A 5 1.181 20.183 4.299 1.00 60.13 C ATOM 62 CG2 VAL A 5 0.886 17.989 3.144 1.00 51.35 C ATOM 0 H VAL A 5 1.252 19.344 1.080 1.00 64.22 H new ATOM 0 HA VAL A 5 3.414 20.318 2.834 1.00 51.13 H new ATOM 0 HB VAL A 5 2.534 18.528 4.394 1.00 74.24 H new ATOM 0 HG11 VAL A 5 0.561 19.823 5.120 1.00 60.13 H new ATOM 0 HG12 VAL A 5 1.916 20.891 4.683 1.00 60.13 H new ATOM 0 HG13 VAL A 5 0.551 20.678 3.560 1.00 60.13 H new ATOM 0 HG21 VAL A 5 0.270 17.644 3.975 1.00 51.35 H new ATOM 0 HG22 VAL A 5 0.251 18.451 2.389 1.00 51.35 H new ATOM 0 HG23 VAL A 5 1.412 17.141 2.706 1.00 51.35 H new ATOM 72 N GLU A 6 4.411 17.820 2.933 1.00 75.30 N ATOM 73 CA GLU A 6 5.312 16.728 2.638 1.00 70.53 C ATOM 74 C GLU A 6 4.513 15.439 2.445 1.00 25.11 C ATOM 75 O GLU A 6 3.442 15.269 3.035 1.00 31.25 O ATOM 76 CB GLU A 6 6.338 16.611 3.763 1.00 35.22 C ATOM 77 CG GLU A 6 5.720 16.379 5.127 1.00 30.15 C ATOM 78 CD GLU A 6 6.684 16.676 6.258 1.00 75.41 C ATOM 79 OE1 GLU A 6 7.268 17.784 6.271 1.00 73.11 O ATOM 80 OE2 GLU A 6 6.869 15.814 7.137 1.00 30.43 O ATOM 0 H GLU A 6 4.403 18.103 3.913 1.00 75.30 H new ATOM 0 HA GLU A 6 5.852 16.916 1.710 1.00 70.53 H new ATOM 0 HB2 GLU A 6 7.019 15.791 3.538 1.00 35.22 H new ATOM 0 HB3 GLU A 6 6.936 17.522 3.794 1.00 35.22 H new ATOM 0 HG2 GLU A 6 4.835 17.007 5.233 1.00 30.15 H new ATOM 0 HG3 GLU A 6 5.387 15.344 5.200 1.00 30.15 H new ATOM 85 N PRO A 7 5.024 14.515 1.625 1.00 51.44 N ATOM 86 CA PRO A 7 4.250 13.373 1.144 1.00 64.51 C ATOM 87 C PRO A 7 4.073 12.284 2.193 1.00 2.34 C ATOM 88 O PRO A 7 4.837 12.191 3.156 1.00 21.44 O ATOM 89 CB PRO A 7 5.092 12.860 -0.024 1.00 72.35 C ATOM 90 CG PRO A 7 6.487 13.193 0.362 1.00 32.11 C ATOM 91 CD PRO A 7 6.411 14.488 1.131 1.00 42.31 C ATOM 0 HA PRO A 7 3.232 13.657 0.876 1.00 64.51 H new ATOM 0 HB2 PRO A 7 4.963 11.787 -0.167 1.00 72.35 H new ATOM 0 HB3 PRO A 7 4.811 13.343 -0.960 1.00 72.35 H new ATOM 0 HG2 PRO A 7 6.922 12.402 0.973 1.00 32.11 H new ATOM 0 HG3 PRO A 7 7.120 13.300 -0.519 1.00 32.11 H new ATOM 0 HD2 PRO A 7 7.129 14.511 1.951 1.00 42.31 H new ATOM 0 HD3 PRO A 7 6.627 15.346 0.494 1.00 42.31 H new ATOM 96 N ARG A 8 3.048 11.472 2.003 1.00 32.03 N ATOM 97 CA ARG A 8 2.804 10.334 2.865 1.00 65.22 C ATOM 98 C ARG A 8 3.422 9.090 2.244 1.00 72.44 C ATOM 99 O ARG A 8 4.131 9.191 1.244 1.00 14.32 O ATOM 100 CB ARG A 8 1.301 10.144 3.082 1.00 40.40 C ATOM 101 CG ARG A 8 0.679 11.208 3.974 1.00 32.14 C ATOM 102 CD ARG A 8 -0.838 11.141 3.941 1.00 63.31 C ATOM 103 NE ARG A 8 -1.453 11.918 5.020 1.00 61.13 N ATOM 104 CZ ARG A 8 -2.407 12.830 4.837 1.00 44.54 C ATOM 105 NH1 ARG A 8 -2.770 13.188 3.609 1.00 2.20 N ATOM 106 NH2 ARG A 8 -2.990 13.399 5.885 1.00 53.34 N ATOM 0 H ARG A 8 2.367 11.583 1.252 1.00 32.03 H new ATOM 0 HA ARG A 8 3.264 10.510 3.837 1.00 65.22 H new ATOM 0 HB2 ARG A 8 0.798 10.152 2.115 1.00 40.40 H new ATOM 0 HB3 ARG A 8 1.127 9.163 3.524 1.00 40.40 H new ATOM 0 HG2 ARG A 8 1.028 11.076 4.998 1.00 32.14 H new ATOM 0 HG3 ARG A 8 1.008 12.195 3.649 1.00 32.14 H new ATOM 0 HD2 ARG A 8 -1.195 11.512 2.980 1.00 63.31 H new ATOM 0 HD3 ARG A 8 -1.155 10.101 4.019 1.00 63.31 H new ATOM 0 HE ARG A 8 -1.130 11.750 5.973 1.00 61.13 H new ATOM 0 HH11 ARG A 8 -2.317 12.764 2.799 1.00 2.20 H new ATOM 0 HH12 ARG A 8 -3.501 13.887 3.477 1.00 2.20 H new ATOM 0 HH21 ARG A 8 -2.708 13.138 6.830 1.00 53.34 H new ATOM 0 HH22 ARG A 8 -3.720 14.097 5.746 1.00 53.34 H new ATOM 117 N LYS A 9 3.158 7.924 2.815 1.00 72.54 N ATOM 118 CA LYS A 9 3.766 6.705 2.310 1.00 70.14 C ATOM 119 C LYS A 9 2.825 5.510 2.439 1.00 12.42 C ATOM 120 O LYS A 9 2.095 5.372 3.423 1.00 3.11 O ATOM 121 CB LYS A 9 5.083 6.421 3.039 1.00 73.02 C ATOM 122 CG LYS A 9 5.792 5.171 2.545 1.00 24.35 C ATOM 123 CD LYS A 9 7.139 4.981 3.215 1.00 44.24 C ATOM 124 CE LYS A 9 7.870 3.783 2.632 1.00 51.32 C ATOM 125 NZ LYS A 9 9.162 3.526 3.319 1.00 3.51 N ATOM 0 H LYS A 9 2.538 7.798 3.615 1.00 72.54 H new ATOM 0 HA LYS A 9 3.971 6.856 1.250 1.00 70.14 H new ATOM 0 HB2 LYS A 9 5.747 7.277 2.919 1.00 73.02 H new ATOM 0 HB3 LYS A 9 4.884 6.319 4.106 1.00 73.02 H new ATOM 0 HG2 LYS A 9 5.166 4.299 2.736 1.00 24.35 H new ATOM 0 HG3 LYS A 9 5.929 5.235 1.466 1.00 24.35 H new ATOM 0 HD2 LYS A 9 7.744 5.879 3.087 1.00 44.24 H new ATOM 0 HD3 LYS A 9 7.000 4.841 4.287 1.00 44.24 H new ATOM 0 HE2 LYS A 9 7.237 2.899 2.710 1.00 51.32 H new ATOM 0 HE3 LYS A 9 8.052 3.952 1.571 1.00 51.32 H new ATOM 0 HZ1 LYS A 9 9.673 2.766 2.825 1.00 3.51 H new ATOM 0 HZ2 LYS A 9 9.738 4.392 3.311 1.00 3.51 H new ATOM 0 HZ3 LYS A 9 8.981 3.239 4.302 1.00 3.51 H new ATOM 135 N LEU A 10 2.843 4.669 1.418 1.00 0.00 N ATOM 136 CA LEU A 10 2.097 3.425 1.417 1.00 51.10 C ATOM 137 C LEU A 10 3.042 2.241 1.337 1.00 74.21 C ATOM 138 O LEU A 10 3.939 2.201 0.491 1.00 62.15 O ATOM 139 CB LEU A 10 1.129 3.374 0.237 1.00 51.23 C ATOM 140 CG LEU A 10 -0.103 4.261 0.365 1.00 73.43 C ATOM 141 CD1 LEU A 10 -0.926 4.198 -0.906 1.00 40.32 C ATOM 142 CD2 LEU A 10 -0.942 3.838 1.561 1.00 60.24 C ATOM 0 H LEU A 10 3.378 4.832 0.565 1.00 0.00 H new ATOM 0 HA LEU A 10 1.530 3.376 2.346 1.00 51.10 H new ATOM 0 HB2 LEU A 10 1.668 3.658 -0.666 1.00 51.23 H new ATOM 0 HB3 LEU A 10 0.801 2.343 0.102 1.00 51.23 H new ATOM 0 HG LEU A 10 0.223 5.289 0.520 1.00 73.43 H new ATOM 0 HD11 LEU A 10 -1.804 4.836 -0.803 1.00 40.32 H new ATOM 0 HD12 LEU A 10 -0.324 4.542 -1.747 1.00 40.32 H new ATOM 0 HD13 LEU A 10 -1.243 3.170 -1.084 1.00 40.32 H new ATOM 0 HD21 LEU A 10 -1.818 4.482 1.637 1.00 60.24 H new ATOM 0 HD22 LEU A 10 -1.262 2.804 1.433 1.00 60.24 H new ATOM 0 HD23 LEU A 10 -0.348 3.924 2.471 1.00 60.24 H new ATOM 153 N VAL A 11 2.855 1.292 2.229 1.00 63.14 N ATOM 154 CA VAL A 11 3.602 0.054 2.179 1.00 51.32 C ATOM 155 C VAL A 11 2.707 -1.066 1.684 1.00 53.22 C ATOM 156 O VAL A 11 1.626 -1.287 2.218 1.00 74.13 O ATOM 157 CB VAL A 11 4.182 -0.335 3.550 1.00 12.21 C ATOM 158 CG1 VAL A 11 4.758 -1.740 3.505 1.00 1.45 C ATOM 159 CG2 VAL A 11 5.249 0.657 3.986 1.00 45.50 C ATOM 0 H VAL A 11 2.190 1.355 3.000 1.00 63.14 H new ATOM 0 HA VAL A 11 4.436 0.209 1.494 1.00 51.32 H new ATOM 0 HB VAL A 11 3.372 -0.312 4.279 1.00 12.21 H new ATOM 0 HG11 VAL A 11 5.164 -1.998 4.483 1.00 1.45 H new ATOM 0 HG12 VAL A 11 3.972 -2.447 3.240 1.00 1.45 H new ATOM 0 HG13 VAL A 11 5.552 -1.784 2.760 1.00 1.45 H new ATOM 0 HG21 VAL A 11 5.645 0.362 4.958 1.00 45.50 H new ATOM 0 HG22 VAL A 11 6.056 0.668 3.254 1.00 45.50 H new ATOM 0 HG23 VAL A 11 4.812 1.653 4.059 1.00 45.50 H new ATOM 169 N VAL A 12 3.156 -1.756 0.662 1.00 61.30 N ATOM 170 CA VAL A 12 2.422 -2.880 0.129 1.00 73.33 C ATOM 171 C VAL A 12 2.968 -4.178 0.707 1.00 11.45 C ATOM 172 O VAL A 12 4.126 -4.540 0.470 1.00 12.11 O ATOM 173 CB VAL A 12 2.489 -2.934 -1.409 1.00 21.04 C ATOM 174 CG1 VAL A 12 1.777 -4.168 -1.928 1.00 35.25 C ATOM 175 CG2 VAL A 12 1.903 -1.682 -2.026 1.00 44.24 C ATOM 0 H VAL A 12 4.033 -1.557 0.180 1.00 61.30 H new ATOM 0 HA VAL A 12 1.378 -2.754 0.415 1.00 73.33 H new ATOM 0 HB VAL A 12 3.538 -2.990 -1.699 1.00 21.04 H new ATOM 0 HG11 VAL A 12 1.834 -4.190 -3.016 1.00 35.25 H new ATOM 0 HG12 VAL A 12 2.253 -5.061 -1.521 1.00 35.25 H new ATOM 0 HG13 VAL A 12 0.732 -4.142 -1.620 1.00 35.25 H new ATOM 0 HG21 VAL A 12 1.964 -1.749 -3.112 1.00 44.24 H new ATOM 0 HG22 VAL A 12 0.860 -1.583 -1.727 1.00 44.24 H new ATOM 0 HG23 VAL A 12 2.463 -0.812 -1.684 1.00 44.24 H new ATOM 185 N TYR A 13 2.145 -4.860 1.485 1.00 21.23 N ATOM 186 CA TYR A 13 2.535 -6.140 2.049 1.00 52.52 C ATOM 187 C TYR A 13 2.108 -7.276 1.137 1.00 62.22 C ATOM 188 O TYR A 13 0.932 -7.414 0.801 1.00 65.11 O ATOM 189 CB TYR A 13 1.940 -6.342 3.445 1.00 11.10 C ATOM 190 CG TYR A 13 2.554 -5.451 4.506 1.00 11.22 C ATOM 191 CD1 TYR A 13 3.902 -5.556 4.828 1.00 13.10 C ATOM 192 CD2 TYR A 13 1.789 -4.511 5.182 1.00 4.23 C ATOM 193 CE1 TYR A 13 4.470 -4.751 5.796 1.00 50.14 C ATOM 194 CE2 TYR A 13 2.351 -3.703 6.153 1.00 44.51 C ATOM 195 CZ TYR A 13 3.690 -3.826 6.455 1.00 72.41 C ATOM 196 OH TYR A 13 4.256 -3.021 7.419 1.00 71.33 O ATOM 0 H TYR A 13 1.207 -4.550 1.739 1.00 21.23 H new ATOM 0 HA TYR A 13 3.621 -6.141 2.138 1.00 52.52 H new ATOM 0 HB2 TYR A 13 0.867 -6.155 3.403 1.00 11.10 H new ATOM 0 HB3 TYR A 13 2.071 -7.384 3.738 1.00 11.10 H new ATOM 0 HD1 TYR A 13 4.516 -6.280 4.312 1.00 13.10 H new ATOM 0 HD2 TYR A 13 0.740 -4.409 4.946 1.00 4.23 H new ATOM 0 HE1 TYR A 13 5.519 -4.846 6.035 1.00 50.14 H new ATOM 0 HE2 TYR A 13 1.743 -2.978 6.673 1.00 44.51 H new ATOM 0 HH TYR A 13 3.573 -2.423 7.788 1.00 71.33 H new ATOM 205 N GLY A 14 3.081 -8.069 0.729 1.00 14.52 N ATOM 206 CA GLY A 14 2.818 -9.249 -0.063 1.00 11.14 C ATOM 207 C GLY A 14 3.737 -10.367 0.364 1.00 62.42 C ATOM 208 O GLY A 14 4.698 -10.116 1.078 1.00 1.53 O ATOM 0 H GLY A 14 4.067 -7.913 0.937 1.00 14.52 H new ATOM 0 HA2 GLY A 14 1.779 -9.554 0.057 1.00 11.14 H new ATOM 0 HA3 GLY A 14 2.965 -9.029 -1.120 1.00 11.14 H new ATOM 212 N ARG A 15 3.464 -11.596 -0.042 1.00 32.33 N ATOM 213 CA ARG A 15 4.309 -12.703 0.384 1.00 24.10 C ATOM 214 C ARG A 15 5.531 -12.804 -0.516 1.00 10.14 C ATOM 215 O ARG A 15 6.650 -12.573 -0.075 1.00 14.20 O ATOM 216 CB ARG A 15 3.573 -14.029 0.351 1.00 50.24 C ATOM 217 CG ARG A 15 2.063 -13.948 0.505 1.00 54.15 C ATOM 218 CD ARG A 15 1.431 -15.304 0.243 1.00 41.44 C ATOM 219 NE ARG A 15 2.029 -15.944 -0.932 1.00 41.23 N ATOM 220 CZ ARG A 15 1.367 -16.265 -2.040 1.00 24.11 C ATOM 221 NH1 ARG A 15 0.049 -16.118 -2.107 1.00 1.22 N ATOM 222 NH2 ARG A 15 2.029 -16.765 -3.076 1.00 34.32 N ATOM 0 H ARG A 15 2.686 -11.851 -0.650 1.00 32.33 H new ATOM 0 HA ARG A 15 4.606 -12.498 1.412 1.00 24.10 H new ATOM 0 HB2 ARG A 15 3.797 -14.525 -0.593 1.00 50.24 H new ATOM 0 HB3 ARG A 15 3.967 -14.663 1.145 1.00 50.24 H new ATOM 0 HG2 ARG A 15 1.811 -13.610 1.510 1.00 54.15 H new ATOM 0 HG3 ARG A 15 1.659 -13.211 -0.189 1.00 54.15 H new ATOM 0 HD2 ARG A 15 1.560 -15.944 1.116 1.00 41.44 H new ATOM 0 HD3 ARG A 15 0.358 -15.186 0.091 1.00 41.44 H new ATOM 0 HE ARG A 15 3.026 -16.159 -0.898 1.00 41.23 H new ATOM 0 HH11 ARG A 15 -0.465 -15.756 -1.304 1.00 1.22 H new ATOM 0 HH12 ARG A 15 -0.449 -16.367 -2.961 1.00 1.22 H new ATOM 0 HH21 ARG A 15 3.038 -16.901 -3.019 1.00 34.32 H new ATOM 0 HH22 ARG A 15 1.528 -17.014 -3.929 1.00 34.32 H new ATOM 233 N GLU A 16 5.307 -13.190 -1.770 1.00 13.11 N ATOM 234 CA GLU A 16 6.360 -13.208 -2.775 1.00 44.11 C ATOM 235 C GLU A 16 5.973 -12.322 -3.957 1.00 13.43 C ATOM 236 O GLU A 16 6.452 -11.196 -4.087 1.00 4.33 O ATOM 237 CB GLU A 16 6.625 -14.627 -3.274 1.00 13.21 C ATOM 238 CG GLU A 16 6.587 -15.683 -2.187 1.00 12.23 C ATOM 239 CD GLU A 16 5.246 -16.380 -2.110 1.00 42.42 C ATOM 240 OE1 GLU A 16 4.782 -16.910 -3.141 1.00 35.32 O ATOM 241 OE2 GLU A 16 4.638 -16.390 -1.027 1.00 21.31 O ATOM 0 H GLU A 16 4.397 -13.496 -2.113 1.00 13.11 H new ATOM 0 HA GLU A 16 7.269 -12.827 -2.310 1.00 44.11 H new ATOM 0 HB2 GLU A 16 5.885 -14.877 -4.035 1.00 13.21 H new ATOM 0 HB3 GLU A 16 7.601 -14.654 -3.758 1.00 13.21 H new ATOM 0 HG2 GLU A 16 7.367 -16.421 -2.373 1.00 12.23 H new ATOM 0 HG3 GLU A 16 6.809 -15.220 -1.226 1.00 12.23 H new ATOM 246 N GLY A 17 5.092 -12.832 -4.804 1.00 52.33 N ATOM 247 CA GLY A 17 4.634 -12.077 -5.948 1.00 21.20 C ATOM 248 C GLY A 17 3.259 -12.523 -6.388 1.00 11.31 C ATOM 249 O GLY A 17 2.860 -13.658 -6.126 1.00 35.05 O ATOM 0 H GLY A 17 4.684 -13.763 -4.717 1.00 52.33 H new ATOM 0 HA2 GLY A 17 4.612 -11.016 -5.700 1.00 21.20 H new ATOM 0 HA3 GLY A 17 5.338 -12.198 -6.771 1.00 21.20 H new ATOM 253 N CYS A 18 2.528 -11.635 -7.043 1.00 13.00 N ATOM 254 CA CYS A 18 1.184 -11.941 -7.498 1.00 51.12 C ATOM 255 C CYS A 18 0.759 -10.941 -8.562 1.00 44.04 C ATOM 256 O CYS A 18 1.137 -9.769 -8.502 1.00 22.20 O ATOM 257 CB CYS A 18 0.201 -11.911 -6.321 1.00 4.21 C ATOM 258 SG CYS A 18 -1.479 -12.428 -6.744 1.00 21.31 S ATOM 0 H CYS A 18 2.846 -10.693 -7.271 1.00 13.00 H new ATOM 0 HA CYS A 18 1.178 -12.943 -7.928 1.00 51.12 H new ATOM 0 HB2 CYS A 18 0.580 -12.558 -5.530 1.00 4.21 H new ATOM 0 HB3 CYS A 18 0.167 -10.899 -5.917 1.00 4.21 H new ATOM 0 HG CYS A 18 -2.230 -12.370 -5.685 1.00 21.31 H new ATOM 263 N HIS A 19 -0.021 -11.399 -9.533 1.00 12.30 N ATOM 264 CA HIS A 19 -0.489 -10.531 -10.606 1.00 40.45 C ATOM 265 C HIS A 19 -1.369 -9.411 -10.065 1.00 33.23 C ATOM 266 O HIS A 19 -1.300 -8.285 -10.543 1.00 45.41 O ATOM 267 CB HIS A 19 -1.234 -11.324 -11.682 1.00 31.43 C ATOM 268 CG HIS A 19 -0.319 -11.978 -12.672 1.00 65.14 C ATOM 269 ND1 HIS A 19 0.014 -11.400 -13.875 1.00 44.33 N ATOM 270 CD2 HIS A 19 0.337 -13.160 -12.631 1.00 62.53 C ATOM 271 CE1 HIS A 19 0.831 -12.200 -14.535 1.00 55.23 C ATOM 272 NE2 HIS A 19 1.045 -13.273 -13.799 1.00 51.32 N ATOM 0 H HIS A 19 -0.342 -12.365 -9.600 1.00 12.30 H new ATOM 0 HA HIS A 19 0.392 -10.082 -11.066 1.00 40.45 H new ATOM 0 HB2 HIS A 19 -1.846 -12.088 -11.203 1.00 31.43 H new ATOM 0 HB3 HIS A 19 -1.914 -10.656 -12.211 1.00 31.43 H new ATOM 0 HD2 HIS A 19 0.308 -13.881 -11.827 1.00 62.53 H new ATOM 0 HE1 HIS A 19 1.252 -12.008 -15.511 1.00 55.23 H new ATOM 0 HE2 HIS A 19 1.641 -14.060 -14.057 1.00 51.32 H new ATOM 279 N LEU A 20 -2.165 -9.716 -9.045 1.00 40.34 N ATOM 280 CA LEU A 20 -3.022 -8.705 -8.420 1.00 30.24 C ATOM 281 C LEU A 20 -2.185 -7.586 -7.818 1.00 32.34 C ATOM 282 O LEU A 20 -2.597 -6.428 -7.804 1.00 53.34 O ATOM 283 CB LEU A 20 -3.917 -9.340 -7.350 1.00 55.44 C ATOM 284 CG LEU A 20 -5.336 -9.690 -7.814 1.00 74.25 C ATOM 285 CD1 LEU A 20 -6.207 -8.444 -7.863 1.00 73.12 C ATOM 286 CD2 LEU A 20 -5.302 -10.346 -9.183 1.00 41.22 C ATOM 0 H LEU A 20 -2.237 -10.647 -8.634 1.00 40.34 H new ATOM 0 HA LEU A 20 -3.660 -8.278 -9.193 1.00 30.24 H new ATOM 0 HB2 LEU A 20 -3.435 -10.248 -6.988 1.00 55.44 H new ATOM 0 HB3 LEU A 20 -3.986 -8.657 -6.504 1.00 55.44 H new ATOM 0 HG LEU A 20 -5.763 -10.390 -7.096 1.00 74.25 H new ATOM 0 HD11 LEU A 20 -7.210 -8.714 -8.195 1.00 73.12 H new ATOM 0 HD12 LEU A 20 -6.261 -7.998 -6.870 1.00 73.12 H new ATOM 0 HD13 LEU A 20 -5.775 -7.726 -8.560 1.00 73.12 H new ATOM 0 HD21 LEU A 20 -6.318 -10.587 -9.496 1.00 41.22 H new ATOM 0 HD22 LEU A 20 -4.853 -9.662 -9.903 1.00 41.22 H new ATOM 0 HD23 LEU A 20 -4.711 -11.260 -9.134 1.00 41.22 H new ATOM 297 N CYS A 21 -0.997 -7.934 -7.342 1.00 53.34 N ATOM 298 CA CYS A 21 -0.083 -6.944 -6.804 1.00 60.55 C ATOM 299 C CYS A 21 0.423 -6.046 -7.925 1.00 25.44 C ATOM 300 O CYS A 21 0.498 -4.831 -7.771 1.00 53.11 O ATOM 301 CB CYS A 21 1.091 -7.626 -6.095 1.00 30.13 C ATOM 302 SG CYS A 21 2.197 -6.492 -5.229 1.00 14.10 S ATOM 0 H CYS A 21 -0.647 -8.892 -7.319 1.00 53.34 H new ATOM 0 HA CYS A 21 -0.615 -6.334 -6.074 1.00 60.55 H new ATOM 0 HB2 CYS A 21 0.698 -8.349 -5.380 1.00 30.13 H new ATOM 0 HB3 CYS A 21 1.668 -8.187 -6.830 1.00 30.13 H new ATOM 0 HG CYS A 21 3.153 -7.166 -4.662 1.00 14.10 H new ATOM 307 N GLU A 22 0.743 -6.657 -9.062 1.00 70.14 N ATOM 308 CA GLU A 22 1.191 -5.919 -10.238 1.00 11.22 C ATOM 309 C GLU A 22 0.095 -4.988 -10.756 1.00 0.55 C ATOM 310 O GLU A 22 0.376 -3.859 -11.166 1.00 32.10 O ATOM 311 CB GLU A 22 1.617 -6.890 -11.340 1.00 61.21 C ATOM 312 CG GLU A 22 2.959 -7.558 -11.084 1.00 71.11 C ATOM 313 CD GLU A 22 4.118 -6.593 -11.231 1.00 63.45 C ATOM 314 OE1 GLU A 22 4.525 -6.321 -12.381 1.00 11.14 O ATOM 315 OE2 GLU A 22 4.629 -6.098 -10.207 1.00 60.23 O ATOM 0 H GLU A 22 0.700 -7.668 -9.194 1.00 70.14 H new ATOM 0 HA GLU A 22 2.046 -5.309 -9.947 1.00 11.22 H new ATOM 0 HB2 GLU A 22 0.853 -7.660 -11.448 1.00 61.21 H new ATOM 0 HB3 GLU A 22 1.664 -6.352 -12.287 1.00 61.21 H new ATOM 0 HG2 GLU A 22 2.966 -7.981 -10.079 1.00 71.11 H new ATOM 0 HG3 GLU A 22 3.089 -8.387 -11.780 1.00 71.11 H new ATOM 320 N GLU A 23 -1.147 -5.468 -10.745 1.00 61.10 N ATOM 321 CA GLU A 23 -2.290 -4.653 -11.151 1.00 73.31 C ATOM 322 C GLU A 23 -2.402 -3.427 -10.246 1.00 44.55 C ATOM 323 O GLU A 23 -2.570 -2.297 -10.719 1.00 44.44 O ATOM 324 CB GLU A 23 -3.587 -5.465 -11.086 1.00 74.00 C ATOM 325 CG GLU A 23 -3.559 -6.741 -11.912 1.00 11.35 C ATOM 326 CD GLU A 23 -3.255 -6.510 -13.380 1.00 53.02 C ATOM 327 OE1 GLU A 23 -4.200 -6.260 -14.158 1.00 21.34 O ATOM 328 OE2 GLU A 23 -2.072 -6.590 -13.767 1.00 62.00 O ATOM 0 H GLU A 23 -1.387 -6.417 -10.459 1.00 61.10 H new ATOM 0 HA GLU A 23 -2.134 -4.331 -12.181 1.00 73.31 H new ATOM 0 HB2 GLU A 23 -3.791 -5.722 -10.047 1.00 74.00 H new ATOM 0 HB3 GLU A 23 -4.412 -4.841 -11.428 1.00 74.00 H new ATOM 0 HG2 GLU A 23 -2.810 -7.416 -11.497 1.00 11.35 H new ATOM 0 HG3 GLU A 23 -4.523 -7.242 -11.824 1.00 11.35 H new ATOM 333 N MET A 24 -2.303 -3.662 -8.940 1.00 13.32 N ATOM 334 CA MET A 24 -2.325 -2.574 -7.962 1.00 14.32 C ATOM 335 C MET A 24 -1.154 -1.620 -8.166 1.00 13.23 C ATOM 336 O MET A 24 -1.348 -0.409 -8.234 1.00 74.44 O ATOM 337 CB MET A 24 -2.308 -3.108 -6.526 1.00 71.41 C ATOM 338 CG MET A 24 -3.580 -3.824 -6.118 1.00 62.01 C ATOM 339 SD MET A 24 -3.576 -4.305 -4.379 1.00 23.01 S ATOM 340 CE MET A 24 -3.471 -2.704 -3.582 1.00 22.34 C ATOM 0 H MET A 24 -2.207 -4.593 -8.534 1.00 13.32 H new ATOM 0 HA MET A 24 -3.255 -2.028 -8.120 1.00 14.32 H new ATOM 0 HB2 MET A 24 -1.467 -3.792 -6.414 1.00 71.41 H new ATOM 0 HB3 MET A 24 -2.136 -2.277 -5.842 1.00 71.41 H new ATOM 0 HG2 MET A 24 -4.435 -3.176 -6.310 1.00 62.01 H new ATOM 0 HG3 MET A 24 -3.707 -4.712 -6.737 1.00 62.01 H new ATOM 0 HE1 MET A 24 -3.741 -2.802 -2.531 1.00 22.34 H new ATOM 0 HE2 MET A 24 -2.452 -2.325 -3.661 1.00 22.34 H new ATOM 0 HE3 MET A 24 -4.155 -2.009 -4.069 1.00 22.34 H new ATOM 348 N ILE A 25 0.054 -2.166 -8.274 1.00 5.10 N ATOM 349 CA ILE A 25 1.257 -1.352 -8.442 1.00 21.12 C ATOM 350 C ILE A 25 1.142 -0.431 -9.656 1.00 51.33 C ATOM 351 O ILE A 25 1.445 0.758 -9.564 1.00 52.23 O ATOM 352 CB ILE A 25 2.529 -2.227 -8.562 1.00 32.13 C ATOM 353 CG1 ILE A 25 2.806 -2.940 -7.233 1.00 71.32 C ATOM 354 CG2 ILE A 25 3.727 -1.380 -8.982 1.00 61.14 C ATOM 355 CD1 ILE A 25 3.991 -3.882 -7.275 1.00 55.32 C ATOM 0 H ILE A 25 0.227 -3.171 -8.248 1.00 5.10 H new ATOM 0 HA ILE A 25 1.348 -0.738 -7.546 1.00 21.12 H new ATOM 0 HB ILE A 25 2.363 -2.981 -9.332 1.00 32.13 H new ATOM 0 HG12 ILE A 25 2.977 -2.191 -6.460 1.00 71.32 H new ATOM 0 HG13 ILE A 25 1.918 -3.502 -6.942 1.00 71.32 H new ATOM 0 HG21 ILE A 25 4.611 -2.013 -9.061 1.00 61.14 H new ATOM 0 HG22 ILE A 25 3.525 -0.918 -9.948 1.00 61.14 H new ATOM 0 HG23 ILE A 25 3.902 -0.603 -8.238 1.00 61.14 H new ATOM 0 HD11 ILE A 25 4.121 -4.347 -6.298 1.00 55.32 H new ATOM 0 HD12 ILE A 25 3.815 -4.654 -8.024 1.00 55.32 H new ATOM 0 HD13 ILE A 25 4.891 -3.324 -7.534 1.00 55.32 H new ATOM 366 N ALA A 26 0.679 -0.972 -10.779 1.00 70.12 N ATOM 367 CA ALA A 26 0.502 -0.180 -11.993 1.00 2.34 C ATOM 368 C ALA A 26 -0.473 0.968 -11.757 1.00 14.44 C ATOM 369 O ALA A 26 -0.286 2.073 -12.266 1.00 32.33 O ATOM 370 CB ALA A 26 0.020 -1.062 -13.133 1.00 74.13 C ATOM 0 H ALA A 26 0.420 -1.954 -10.874 1.00 70.12 H new ATOM 0 HA ALA A 26 1.467 0.247 -12.266 1.00 2.34 H new ATOM 0 HB1 ALA A 26 -0.108 -0.458 -14.031 1.00 74.13 H new ATOM 0 HB2 ALA A 26 0.754 -1.845 -13.323 1.00 74.13 H new ATOM 0 HB3 ALA A 26 -0.933 -1.517 -12.863 1.00 74.13 H new ATOM 376 N SER A 27 -1.498 0.703 -10.964 1.00 65.52 N ATOM 377 CA SER A 27 -2.478 1.715 -10.606 1.00 41.42 C ATOM 378 C SER A 27 -1.857 2.762 -9.679 1.00 1.25 C ATOM 379 O SER A 27 -2.121 3.957 -9.807 1.00 42.42 O ATOM 380 CB SER A 27 -3.680 1.043 -9.943 1.00 73.14 C ATOM 381 OG SER A 27 -4.280 0.107 -10.827 1.00 55.41 O ATOM 0 H SER A 27 -1.674 -0.214 -10.553 1.00 65.52 H new ATOM 0 HA SER A 27 -2.812 2.228 -11.508 1.00 41.42 H new ATOM 0 HB2 SER A 27 -3.364 0.538 -9.030 1.00 73.14 H new ATOM 0 HB3 SER A 27 -4.411 1.798 -9.653 1.00 73.14 H new ATOM 0 HG SER A 27 -3.753 -0.719 -10.836 1.00 55.41 H new ATOM 386 N LEU A 28 -1.004 2.303 -8.769 1.00 31.11 N ATOM 387 CA LEU A 28 -0.334 3.187 -7.824 1.00 53.52 C ATOM 388 C LEU A 28 0.583 4.164 -8.552 1.00 13.14 C ATOM 389 O LEU A 28 0.662 5.334 -8.190 1.00 11.45 O ATOM 390 CB LEU A 28 0.478 2.385 -6.804 1.00 34.13 C ATOM 391 CG LEU A 28 -0.319 1.386 -5.969 1.00 44.41 C ATOM 392 CD1 LEU A 28 0.590 0.668 -4.988 1.00 21.23 C ATOM 393 CD2 LEU A 28 -1.455 2.087 -5.237 1.00 12.32 C ATOM 0 H LEU A 28 -0.760 1.318 -8.667 1.00 31.11 H new ATOM 0 HA LEU A 28 -1.105 3.749 -7.297 1.00 53.52 H new ATOM 0 HB2 LEU A 28 1.262 1.845 -7.334 1.00 34.13 H new ATOM 0 HB3 LEU A 28 0.972 3.084 -6.129 1.00 34.13 H new ATOM 0 HG LEU A 28 -0.752 0.644 -6.640 1.00 44.41 H new ATOM 0 HD11 LEU A 28 0.005 -0.040 -4.401 1.00 21.23 H new ATOM 0 HD12 LEU A 28 1.365 0.132 -5.536 1.00 21.23 H new ATOM 0 HD13 LEU A 28 1.053 1.396 -4.322 1.00 21.23 H new ATOM 0 HD21 LEU A 28 -2.012 1.359 -4.647 1.00 12.32 H new ATOM 0 HD22 LEU A 28 -1.045 2.852 -4.577 1.00 12.32 H new ATOM 0 HD23 LEU A 28 -2.122 2.553 -5.962 1.00 12.32 H new ATOM 404 N ARG A 29 1.264 3.676 -9.584 1.00 63.40 N ATOM 405 CA ARG A 29 2.190 4.500 -10.358 1.00 32.41 C ATOM 406 C ARG A 29 1.466 5.691 -10.973 1.00 21.21 C ATOM 407 O ARG A 29 2.000 6.797 -11.033 1.00 73.50 O ATOM 408 CB ARG A 29 2.854 3.670 -11.461 1.00 24.54 C ATOM 409 CG ARG A 29 3.569 2.432 -10.944 1.00 42.24 C ATOM 410 CD ARG A 29 4.652 2.790 -9.944 1.00 13.40 C ATOM 411 NE ARG A 29 5.987 2.499 -10.455 1.00 75.33 N ATOM 412 CZ ARG A 29 7.045 3.284 -10.268 1.00 43.13 C ATOM 413 NH1 ARG A 29 6.931 4.435 -9.613 1.00 32.20 N ATOM 414 NH2 ARG A 29 8.219 2.919 -10.745 1.00 34.44 N ATOM 0 H ARG A 29 1.192 2.711 -9.906 1.00 63.40 H new ATOM 0 HA ARG A 29 2.960 4.869 -9.681 1.00 32.41 H new ATOM 0 HB2 ARG A 29 2.095 3.367 -12.182 1.00 24.54 H new ATOM 0 HB3 ARG A 29 3.569 4.296 -11.995 1.00 24.54 H new ATOM 0 HG2 ARG A 29 2.847 1.763 -10.476 1.00 42.24 H new ATOM 0 HG3 ARG A 29 4.010 1.890 -11.780 1.00 42.24 H new ATOM 0 HD2 ARG A 29 4.581 3.849 -9.697 1.00 13.40 H new ATOM 0 HD3 ARG A 29 4.489 2.236 -9.020 1.00 13.40 H new ATOM 0 HE ARG A 29 6.118 1.640 -10.989 1.00 75.33 H new ATOM 0 HH11 ARG A 29 6.025 4.726 -9.247 1.00 32.20 H new ATOM 0 HH12 ARG A 29 7.750 5.027 -9.477 1.00 32.20 H new ATOM 0 HH21 ARG A 29 8.312 2.040 -11.254 1.00 34.44 H new ATOM 0 HH22 ARG A 29 9.034 3.516 -10.605 1.00 34.44 H new ATOM 425 N VAL A 30 0.245 5.455 -11.421 1.00 12.31 N ATOM 426 CA VAL A 30 -0.571 6.510 -12.005 1.00 33.15 C ATOM 427 C VAL A 30 -1.028 7.489 -10.926 1.00 73.00 C ATOM 428 O VAL A 30 -1.056 8.702 -11.143 1.00 54.24 O ATOM 429 CB VAL A 30 -1.793 5.927 -12.743 1.00 73.34 C ATOM 430 CG1 VAL A 30 -2.619 7.033 -13.385 1.00 64.02 C ATOM 431 CG2 VAL A 30 -1.345 4.918 -13.790 1.00 20.54 C ATOM 0 H VAL A 30 -0.206 4.540 -11.392 1.00 12.31 H new ATOM 0 HA VAL A 30 0.043 7.043 -12.731 1.00 33.15 H new ATOM 0 HB VAL A 30 -2.422 5.417 -12.014 1.00 73.34 H new ATOM 0 HG11 VAL A 30 -3.475 6.596 -13.899 1.00 64.02 H new ATOM 0 HG12 VAL A 30 -2.970 7.719 -12.614 1.00 64.02 H new ATOM 0 HG13 VAL A 30 -2.004 7.577 -14.102 1.00 64.02 H new ATOM 0 HG21 VAL A 30 -2.218 4.514 -14.303 1.00 20.54 H new ATOM 0 HG22 VAL A 30 -0.694 5.409 -14.513 1.00 20.54 H new ATOM 0 HG23 VAL A 30 -0.802 4.107 -13.305 1.00 20.54 H new ATOM 441 N LEU A 31 -1.360 6.961 -9.755 1.00 20.41 N ATOM 442 CA LEU A 31 -1.766 7.795 -8.629 1.00 64.44 C ATOM 443 C LEU A 31 -0.605 8.635 -8.111 1.00 43.22 C ATOM 444 O LEU A 31 -0.808 9.757 -7.660 1.00 31.22 O ATOM 445 CB LEU A 31 -2.335 6.948 -7.491 1.00 53.21 C ATOM 446 CG LEU A 31 -3.850 6.753 -7.517 1.00 44.42 C ATOM 447 CD1 LEU A 31 -4.300 5.960 -6.301 1.00 14.20 C ATOM 448 CD2 LEU A 31 -4.555 8.102 -7.565 1.00 74.32 C ATOM 0 H LEU A 31 -1.356 5.960 -9.559 1.00 20.41 H new ATOM 0 HA LEU A 31 -2.545 8.465 -8.994 1.00 64.44 H new ATOM 0 HB2 LEU A 31 -1.859 5.968 -7.516 1.00 53.21 H new ATOM 0 HB3 LEU A 31 -2.061 7.411 -6.543 1.00 53.21 H new ATOM 0 HG LEU A 31 -4.115 6.192 -8.413 1.00 44.42 H new ATOM 0 HD11 LEU A 31 -5.382 5.828 -6.332 1.00 14.20 H new ATOM 0 HD12 LEU A 31 -3.815 4.984 -6.304 1.00 14.20 H new ATOM 0 HD13 LEU A 31 -4.026 6.498 -5.394 1.00 14.20 H new ATOM 0 HD21 LEU A 31 -5.634 7.948 -7.583 1.00 74.32 H new ATOM 0 HD22 LEU A 31 -4.286 8.685 -6.684 1.00 74.32 H new ATOM 0 HD23 LEU A 31 -4.250 8.640 -8.462 1.00 74.32 H new ATOM 459 N GLN A 32 0.607 8.095 -8.199 1.00 55.40 N ATOM 460 CA GLN A 32 1.811 8.805 -7.763 1.00 53.43 C ATOM 461 C GLN A 32 1.997 10.115 -8.532 1.00 23.20 C ATOM 462 O GLN A 32 2.693 11.024 -8.075 1.00 32.34 O ATOM 463 CB GLN A 32 3.044 7.909 -7.920 1.00 4.54 C ATOM 464 CG GLN A 32 3.063 6.724 -6.964 1.00 63.34 C ATOM 465 CD GLN A 32 4.253 5.812 -7.173 1.00 23.04 C ATOM 466 OE1 GLN A 32 4.774 5.685 -8.281 1.00 42.50 O ATOM 467 NE2 GLN A 32 4.692 5.162 -6.106 1.00 51.42 N ATOM 0 H GLN A 32 0.785 7.162 -8.571 1.00 55.40 H new ATOM 0 HA GLN A 32 1.690 9.055 -6.709 1.00 53.43 H new ATOM 0 HB2 GLN A 32 3.086 7.539 -8.944 1.00 4.54 H new ATOM 0 HB3 GLN A 32 3.941 8.508 -7.761 1.00 4.54 H new ATOM 0 HG2 GLN A 32 3.071 7.092 -5.938 1.00 63.34 H new ATOM 0 HG3 GLN A 32 2.146 6.149 -7.089 1.00 63.34 H new ATOM 0 HE21 GLN A 32 4.234 5.294 -5.204 1.00 51.42 H new ATOM 0 HE22 GLN A 32 5.488 4.530 -6.186 1.00 51.42 H new ATOM 474 N LYS A 33 1.367 10.205 -9.698 1.00 62.45 N ATOM 475 CA LYS A 33 1.401 11.420 -10.498 1.00 33.02 C ATOM 476 C LYS A 33 0.522 12.505 -9.882 1.00 34.42 C ATOM 477 O LYS A 33 0.821 13.695 -9.980 1.00 62.11 O ATOM 478 CB LYS A 33 0.929 11.132 -11.914 1.00 0.24 C ATOM 479 CG LYS A 33 1.774 10.098 -12.637 1.00 51.14 C ATOM 480 CD LYS A 33 1.473 10.094 -14.119 1.00 32.21 C ATOM 481 CE LYS A 33 0.011 9.772 -14.396 1.00 21.45 C ATOM 482 NZ LYS A 33 -0.304 9.819 -15.844 1.00 44.22 N ATOM 0 H LYS A 33 0.824 9.446 -10.110 1.00 62.45 H new ATOM 0 HA LYS A 33 2.431 11.775 -10.523 1.00 33.02 H new ATOM 0 HB2 LYS A 33 -0.104 10.786 -11.881 1.00 0.24 H new ATOM 0 HB3 LYS A 33 0.936 12.060 -12.486 1.00 0.24 H new ATOM 0 HG2 LYS A 33 2.831 10.311 -12.477 1.00 51.14 H new ATOM 0 HG3 LYS A 33 1.581 9.109 -12.220 1.00 51.14 H new ATOM 0 HD2 LYS A 33 1.718 11.068 -14.543 1.00 32.21 H new ATOM 0 HD3 LYS A 33 2.108 9.361 -14.617 1.00 32.21 H new ATOM 0 HE2 LYS A 33 -0.222 8.781 -14.006 1.00 21.45 H new ATOM 0 HE3 LYS A 33 -0.623 10.481 -13.864 1.00 21.45 H new ATOM 0 HZ1 LYS A 33 -1.309 9.594 -15.988 1.00 44.22 H new ATOM 0 HZ2 LYS A 33 -0.107 10.772 -16.211 1.00 44.22 H new ATOM 0 HZ3 LYS A 33 0.282 9.125 -16.350 1.00 44.22 H new ATOM 492 N LYS A 34 -0.568 12.087 -9.250 1.00 3.31 N ATOM 493 CA LYS A 34 -1.506 13.024 -8.642 1.00 14.42 C ATOM 494 C LYS A 34 -1.171 13.235 -7.172 1.00 1.11 C ATOM 495 O LYS A 34 -1.279 14.342 -6.647 1.00 14.21 O ATOM 496 CB LYS A 34 -2.952 12.523 -8.758 1.00 64.32 C ATOM 497 CG LYS A 34 -3.534 12.551 -10.167 1.00 71.53 C ATOM 498 CD LYS A 34 -3.016 11.416 -11.036 1.00 53.33 C ATOM 499 CE LYS A 34 -3.759 11.354 -12.362 1.00 3.32 C ATOM 500 NZ LYS A 34 -5.204 11.049 -12.177 1.00 24.42 N ATOM 0 H LYS A 34 -0.825 11.105 -9.145 1.00 3.31 H new ATOM 0 HA LYS A 34 -1.416 13.968 -9.180 1.00 14.42 H new ATOM 0 HB2 LYS A 34 -2.997 11.501 -8.383 1.00 64.32 H new ATOM 0 HB3 LYS A 34 -3.584 13.129 -8.108 1.00 64.32 H new ATOM 0 HG2 LYS A 34 -4.621 12.492 -10.108 1.00 71.53 H new ATOM 0 HG3 LYS A 34 -3.291 13.504 -10.638 1.00 71.53 H new ATOM 0 HD2 LYS A 34 -1.950 11.552 -11.220 1.00 53.33 H new ATOM 0 HD3 LYS A 34 -3.130 10.469 -10.508 1.00 53.33 H new ATOM 0 HE2 LYS A 34 -3.653 12.306 -12.882 1.00 3.32 H new ATOM 0 HE3 LYS A 34 -3.306 10.592 -12.996 1.00 3.32 H new ATOM 0 HZ1 LYS A 34 -5.603 10.702 -13.072 1.00 24.42 H new ATOM 0 HZ2 LYS A 34 -5.314 10.320 -11.443 1.00 24.42 H new ATOM 0 HZ3 LYS A 34 -5.706 11.912 -11.886 1.00 24.42 H new ATOM 510 N SER A 35 -0.777 12.163 -6.513 1.00 62.55 N ATOM 511 CA SER A 35 -0.477 12.193 -5.096 1.00 72.21 C ATOM 512 C SER A 35 0.636 11.201 -4.778 1.00 64.34 C ATOM 513 O SER A 35 0.457 9.993 -4.924 1.00 51.44 O ATOM 514 CB SER A 35 -1.740 11.855 -4.300 1.00 24.55 C ATOM 515 OG SER A 35 -2.799 12.742 -4.628 1.00 22.12 O ATOM 0 H SER A 35 -0.656 11.247 -6.945 1.00 62.55 H new ATOM 0 HA SER A 35 -0.139 13.191 -4.817 1.00 72.21 H new ATOM 0 HB2 SER A 35 -2.042 10.829 -4.509 1.00 24.55 H new ATOM 0 HB3 SER A 35 -1.528 11.914 -3.232 1.00 24.55 H new ATOM 0 HG SER A 35 -3.596 12.506 -4.109 1.00 22.12 H new ATOM 520 N TRP A 36 1.791 11.708 -4.365 1.00 2.30 N ATOM 521 CA TRP A 36 2.921 10.847 -4.061 1.00 31.44 C ATOM 522 C TRP A 36 2.764 10.205 -2.688 1.00 74.12 C ATOM 523 O TRP A 36 2.521 10.887 -1.693 1.00 50.11 O ATOM 524 CB TRP A 36 4.239 11.623 -4.117 1.00 52.25 C ATOM 525 CG TRP A 36 5.444 10.737 -3.983 1.00 52.20 C ATOM 526 CD1 TRP A 36 6.177 10.499 -2.853 1.00 72.53 C ATOM 527 CD2 TRP A 36 6.043 9.952 -5.023 1.00 74.44 C ATOM 528 NE1 TRP A 36 7.198 9.624 -3.136 1.00 73.53 N ATOM 529 CE2 TRP A 36 7.134 9.273 -4.457 1.00 75.22 C ATOM 530 CE3 TRP A 36 5.758 9.762 -6.379 1.00 2.31 C ATOM 531 CZ2 TRP A 36 7.942 8.417 -5.194 1.00 23.25 C ATOM 532 CZ3 TRP A 36 6.564 8.911 -7.113 1.00 4.24 C ATOM 533 CH2 TRP A 36 7.643 8.245 -6.519 1.00 4.44 C ATOM 0 H TRP A 36 1.967 12.704 -4.234 1.00 2.30 H new ATOM 0 HA TRP A 36 2.944 10.063 -4.818 1.00 31.44 H new ATOM 0 HB2 TRP A 36 4.296 12.165 -5.061 1.00 52.25 H new ATOM 0 HB3 TRP A 36 4.251 12.367 -3.321 1.00 52.25 H new ATOM 0 HD1 TRP A 36 5.982 10.934 -1.884 1.00 72.53 H new ATOM 0 HE1 TRP A 36 7.893 9.290 -2.468 1.00 73.53 H new ATOM 0 HE3 TRP A 36 4.925 10.270 -6.843 1.00 2.31 H new ATOM 0 HZ2 TRP A 36 8.777 7.905 -4.738 1.00 23.25 H new ATOM 0 HZ3 TRP A 36 6.358 8.758 -8.162 1.00 4.24 H new ATOM 0 HH2 TRP A 36 8.251 7.583 -7.118 1.00 4.44 H new ATOM 543 N PHE A 37 2.908 8.891 -2.651 1.00 14.40 N ATOM 544 CA PHE A 37 2.832 8.144 -1.409 1.00 31.11 C ATOM 545 C PHE A 37 3.933 7.099 -1.344 1.00 20.32 C ATOM 546 O PHE A 37 3.831 6.129 -0.595 1.00 25.50 O ATOM 547 CB PHE A 37 1.456 7.478 -1.266 1.00 52.31 C ATOM 548 CG PHE A 37 0.933 6.848 -2.535 1.00 52.33 C ATOM 549 CD1 PHE A 37 1.505 5.698 -3.061 1.00 34.31 C ATOM 550 CD2 PHE A 37 -0.143 7.416 -3.201 1.00 24.53 C ATOM 551 CE1 PHE A 37 1.014 5.129 -4.220 1.00 41.14 C ATOM 552 CE2 PHE A 37 -0.635 6.849 -4.361 1.00 60.23 C ATOM 553 CZ PHE A 37 -0.054 5.706 -4.871 1.00 53.53 C ATOM 0 H PHE A 37 3.080 8.316 -3.476 1.00 14.40 H new ATOM 0 HA PHE A 37 2.969 8.841 -0.582 1.00 31.11 H new ATOM 0 HB2 PHE A 37 1.515 6.712 -0.492 1.00 52.31 H new ATOM 0 HB3 PHE A 37 0.739 8.224 -0.923 1.00 52.31 H new ATOM 0 HD1 PHE A 37 2.345 5.242 -2.558 1.00 34.31 H new ATOM 0 HD2 PHE A 37 -0.601 8.312 -2.808 1.00 24.53 H new ATOM 0 HE1 PHE A 37 1.467 4.232 -4.616 1.00 41.14 H new ATOM 0 HE2 PHE A 37 -1.475 7.301 -4.869 1.00 60.23 H new ATOM 0 HZ PHE A 37 -0.436 5.264 -5.779 1.00 53.53 H new ATOM 562 N GLU A 38 4.997 7.312 -2.120 1.00 64.05 N ATOM 563 CA GLU A 38 6.095 6.350 -2.204 1.00 55.23 C ATOM 564 C GLU A 38 5.584 4.994 -2.674 1.00 0.31 C ATOM 565 O GLU A 38 4.419 4.846 -3.043 1.00 40.54 O ATOM 566 CB GLU A 38 6.788 6.206 -0.842 1.00 42.33 C ATOM 567 CG GLU A 38 7.589 7.427 -0.433 1.00 40.45 C ATOM 568 CD GLU A 38 8.978 7.428 -1.026 1.00 41.42 C ATOM 569 OE1 GLU A 38 9.857 6.724 -0.493 1.00 24.15 O ATOM 570 OE2 GLU A 38 9.191 8.121 -2.042 1.00 22.42 O ATOM 0 H GLU A 38 5.121 8.143 -2.699 1.00 64.05 H new ATOM 0 HA GLU A 38 6.819 6.722 -2.929 1.00 55.23 H new ATOM 0 HB2 GLU A 38 6.035 6.005 -0.080 1.00 42.33 H new ATOM 0 HB3 GLU A 38 7.450 5.341 -0.871 1.00 42.33 H new ATOM 0 HG2 GLU A 38 7.061 8.327 -0.749 1.00 40.45 H new ATOM 0 HG3 GLU A 38 7.661 7.464 0.654 1.00 40.45 H new ATOM 575 N LEU A 39 6.469 4.022 -2.728 1.00 33.22 N ATOM 576 CA LEU A 39 6.056 2.654 -2.963 1.00 65.45 C ATOM 577 C LEU A 39 7.053 1.690 -2.339 1.00 54.31 C ATOM 578 O LEU A 39 8.189 1.576 -2.800 1.00 15.54 O ATOM 579 CB LEU A 39 5.876 2.383 -4.460 1.00 71.43 C ATOM 580 CG LEU A 39 5.136 1.085 -4.811 1.00 72.14 C ATOM 581 CD1 LEU A 39 3.990 0.841 -3.841 1.00 35.31 C ATOM 582 CD2 LEU A 39 4.596 1.160 -6.229 1.00 52.33 C ATOM 0 H LEU A 39 7.474 4.152 -2.613 1.00 33.22 H new ATOM 0 HA LEU A 39 5.088 2.497 -2.487 1.00 65.45 H new ATOM 0 HB2 LEU A 39 5.335 3.220 -4.901 1.00 71.43 H new ATOM 0 HB3 LEU A 39 6.860 2.358 -4.928 1.00 71.43 H new ATOM 0 HG LEU A 39 5.842 0.258 -4.736 1.00 72.14 H new ATOM 0 HD11 LEU A 39 3.478 -0.084 -4.107 1.00 35.31 H new ATOM 0 HD12 LEU A 39 4.382 0.760 -2.827 1.00 35.31 H new ATOM 0 HD13 LEU A 39 3.287 1.672 -3.892 1.00 35.31 H new ATOM 0 HD21 LEU A 39 4.073 0.234 -6.468 1.00 52.33 H new ATOM 0 HD22 LEU A 39 3.905 1.999 -6.311 1.00 52.33 H new ATOM 0 HD23 LEU A 39 5.422 1.300 -6.926 1.00 52.33 H new ATOM 593 N GLU A 40 6.630 1.023 -1.279 1.00 24.11 N ATOM 594 CA GLU A 40 7.479 0.056 -0.601 1.00 63.13 C ATOM 595 C GLU A 40 6.803 -1.307 -0.604 1.00 61.24 C ATOM 596 O GLU A 40 5.711 -1.461 -0.068 1.00 51.02 O ATOM 597 CB GLU A 40 7.759 0.510 0.835 1.00 44.02 C ATOM 598 CG GLU A 40 8.789 -0.333 1.566 1.00 13.31 C ATOM 599 CD GLU A 40 9.217 0.297 2.874 1.00 23.14 C ATOM 600 OE1 GLU A 40 10.155 1.124 2.858 1.00 63.23 O ATOM 601 OE2 GLU A 40 8.614 -0.012 3.917 1.00 1.01 O ATOM 0 H GLU A 40 5.703 1.133 -0.868 1.00 24.11 H new ATOM 0 HA GLU A 40 8.430 -0.017 -1.129 1.00 63.13 H new ATOM 0 HB2 GLU A 40 8.100 1.545 0.817 1.00 44.02 H new ATOM 0 HB3 GLU A 40 6.826 0.492 1.398 1.00 44.02 H new ATOM 0 HG2 GLU A 40 8.375 -1.323 1.759 1.00 13.31 H new ATOM 0 HG3 GLU A 40 9.662 -0.471 0.928 1.00 13.31 H new ATOM 606 N VAL A 41 7.446 -2.281 -1.225 1.00 64.43 N ATOM 607 CA VAL A 41 6.906 -3.630 -1.280 1.00 3.35 C ATOM 608 C VAL A 41 7.702 -4.536 -0.356 1.00 62.31 C ATOM 609 O VAL A 41 8.881 -4.801 -0.590 1.00 55.43 O ATOM 610 CB VAL A 41 6.940 -4.201 -2.716 1.00 43.01 C ATOM 611 CG1 VAL A 41 6.328 -5.591 -2.751 1.00 24.42 C ATOM 612 CG2 VAL A 41 6.211 -3.273 -3.677 1.00 62.13 C ATOM 0 H VAL A 41 8.342 -2.164 -1.698 1.00 64.43 H new ATOM 0 HA VAL A 41 5.865 -3.587 -0.959 1.00 3.35 H new ATOM 0 HB VAL A 41 7.981 -4.275 -3.032 1.00 43.01 H new ATOM 0 HG11 VAL A 41 6.360 -5.977 -3.770 1.00 24.42 H new ATOM 0 HG12 VAL A 41 6.891 -6.253 -2.094 1.00 24.42 H new ATOM 0 HG13 VAL A 41 5.292 -5.541 -2.415 1.00 24.42 H new ATOM 0 HG21 VAL A 41 6.245 -3.691 -4.683 1.00 62.13 H new ATOM 0 HG22 VAL A 41 5.173 -3.167 -3.363 1.00 62.13 H new ATOM 0 HG23 VAL A 41 6.692 -2.295 -3.674 1.00 62.13 H new ATOM 622 N ILE A 42 7.059 -4.990 0.707 1.00 24.13 N ATOM 623 CA ILE A 42 7.724 -5.810 1.703 1.00 33.11 C ATOM 624 C ILE A 42 7.192 -7.237 1.669 1.00 13.30 C ATOM 625 O ILE A 42 6.006 -7.477 1.912 1.00 1.32 O ATOM 626 CB ILE A 42 7.555 -5.216 3.116 1.00 44.04 C ATOM 627 CG1 ILE A 42 8.122 -3.794 3.143 1.00 33.14 C ATOM 628 CG2 ILE A 42 8.242 -6.094 4.155 1.00 73.00 C ATOM 629 CD1 ILE A 42 7.967 -3.098 4.473 1.00 12.32 C ATOM 0 H ILE A 42 6.075 -4.803 0.902 1.00 24.13 H new ATOM 0 HA ILE A 42 8.787 -5.826 1.462 1.00 33.11 H new ATOM 0 HB ILE A 42 6.494 -5.179 3.363 1.00 44.04 H new ATOM 0 HG12 ILE A 42 9.180 -3.831 2.885 1.00 33.14 H new ATOM 0 HG13 ILE A 42 7.626 -3.201 2.374 1.00 33.14 H new ATOM 0 HG21 ILE A 42 8.111 -5.657 5.145 1.00 73.00 H new ATOM 0 HG22 ILE A 42 7.802 -7.091 4.137 1.00 73.00 H new ATOM 0 HG23 ILE A 42 9.306 -6.163 3.927 1.00 73.00 H new ATOM 0 HD11 ILE A 42 8.393 -2.097 4.411 1.00 12.32 H new ATOM 0 HD12 ILE A 42 6.909 -3.028 4.726 1.00 12.32 H new ATOM 0 HD13 ILE A 42 8.487 -3.667 5.244 1.00 12.32 H new ATOM 640 N ASN A 43 8.071 -8.173 1.339 1.00 1.23 N ATOM 641 CA ASN A 43 7.712 -9.580 1.283 1.00 52.14 C ATOM 642 C ASN A 43 7.616 -10.175 2.678 1.00 64.43 C ATOM 643 O ASN A 43 8.602 -10.220 3.417 1.00 11.33 O ATOM 644 CB ASN A 43 8.730 -10.370 0.456 1.00 55.04 C ATOM 645 CG ASN A 43 8.621 -10.076 -1.023 1.00 24.05 C ATOM 646 OD1 ASN A 43 7.863 -10.906 -1.712 1.00 62.21 O flip ATOM 647 ND2 ASN A 43 9.226 -9.136 -1.538 1.00 21.31 N flip ATOM 0 H ASN A 43 9.045 -7.979 1.105 1.00 1.23 H new ATOM 0 HA ASN A 43 6.735 -9.650 0.804 1.00 52.14 H new ATOM 0 HB2 ASN A 43 9.737 -10.131 0.798 1.00 55.04 H new ATOM 0 HB3 ASN A 43 8.581 -11.437 0.624 1.00 55.04 H new ATOM 0 HD21 ASN A 43 9.800 -8.522 -0.961 1.00 21.31 H new ATOM 0 HD22 ASN A 43 9.153 -8.971 -2.542 1.00 21.31 H new ATOM 653 N ILE A 44 6.420 -10.621 3.038 1.00 61.35 N ATOM 654 CA ILE A 44 6.196 -11.267 4.319 1.00 74.45 C ATOM 655 C ILE A 44 6.716 -12.698 4.274 1.00 54.52 C ATOM 656 O ILE A 44 7.321 -13.169 5.228 1.00 51.24 O ATOM 657 CB ILE A 44 4.693 -11.254 4.721 1.00 54.30 C ATOM 658 CG1 ILE A 44 3.873 -12.240 3.883 1.00 40.53 C ATOM 659 CG2 ILE A 44 4.126 -9.857 4.544 1.00 51.53 C ATOM 660 CD1 ILE A 44 2.425 -12.350 4.313 1.00 62.53 C ATOM 0 H ILE A 44 5.587 -10.545 2.455 1.00 61.35 H new ATOM 0 HA ILE A 44 6.741 -10.703 5.076 1.00 74.45 H new ATOM 0 HB ILE A 44 4.628 -11.558 5.766 1.00 54.30 H new ATOM 0 HG12 ILE A 44 3.910 -11.933 2.838 1.00 40.53 H new ATOM 0 HG13 ILE A 44 4.336 -13.225 3.942 1.00 40.53 H new ATOM 0 HG21 ILE A 44 3.073 -9.853 4.827 1.00 51.53 H new ATOM 0 HG22 ILE A 44 4.674 -9.159 5.177 1.00 51.53 H new ATOM 0 HG23 ILE A 44 4.223 -9.554 3.501 1.00 51.53 H new ATOM 0 HD11 ILE A 44 1.909 -13.066 3.674 1.00 62.53 H new ATOM 0 HD12 ILE A 44 2.378 -12.688 5.348 1.00 62.53 H new ATOM 0 HD13 ILE A 44 1.945 -11.375 4.227 1.00 62.53 H new ATOM 671 N ASP A 45 6.502 -13.339 3.119 1.00 1.13 N ATOM 672 CA ASP A 45 6.865 -14.740 2.870 1.00 21.24 C ATOM 673 C ASP A 45 6.767 -15.615 4.123 1.00 64.01 C ATOM 674 O ASP A 45 5.681 -16.075 4.480 1.00 63.41 O ATOM 675 CB ASP A 45 8.259 -14.846 2.247 1.00 71.13 C ATOM 676 CG ASP A 45 8.600 -16.267 1.843 1.00 40.02 C ATOM 677 OD1 ASP A 45 7.824 -16.869 1.070 1.00 41.13 O ATOM 678 OD2 ASP A 45 9.647 -16.780 2.293 1.00 43.21 O ATOM 0 H ASP A 45 6.063 -12.890 2.315 1.00 1.13 H new ATOM 0 HA ASP A 45 6.132 -15.123 2.160 1.00 21.24 H new ATOM 0 HB2 ASP A 45 8.314 -14.198 1.372 1.00 71.13 H new ATOM 0 HB3 ASP A 45 9.001 -14.484 2.958 1.00 71.13 H new ATOM 682 N GLY A 46 7.892 -15.817 4.801 1.00 12.54 N ATOM 683 CA GLY A 46 7.913 -16.677 5.966 1.00 33.11 C ATOM 684 C GLY A 46 8.413 -15.963 7.203 1.00 10.11 C ATOM 685 O GLY A 46 9.107 -16.553 8.031 1.00 35.15 O ATOM 0 H GLY A 46 8.791 -15.398 4.562 1.00 12.54 H new ATOM 0 HA2 GLY A 46 6.909 -17.058 6.151 1.00 33.11 H new ATOM 0 HA3 GLY A 46 8.549 -17.539 5.766 1.00 33.11 H new ATOM 689 N ASN A 47 8.092 -14.686 7.313 1.00 51.31 N ATOM 690 CA ASN A 47 8.440 -13.912 8.490 1.00 24.55 C ATOM 691 C ASN A 47 7.375 -14.101 9.557 1.00 52.41 C ATOM 692 O ASN A 47 6.223 -13.714 9.365 1.00 23.43 O ATOM 693 CB ASN A 47 8.580 -12.426 8.150 1.00 55.44 C ATOM 694 CG ASN A 47 8.929 -11.595 9.370 1.00 42.53 C ATOM 695 OD1 ASN A 47 8.048 -11.133 10.092 1.00 61.14 O ATOM 696 ND2 ASN A 47 10.216 -11.394 9.604 1.00 72.14 N ATOM 0 H ASN A 47 7.588 -14.162 6.597 1.00 51.31 H new ATOM 0 HA ASN A 47 9.401 -14.266 8.864 1.00 24.55 H new ATOM 0 HB2 ASN A 47 9.352 -12.299 7.391 1.00 55.44 H new ATOM 0 HB3 ASN A 47 7.647 -12.063 7.719 1.00 55.44 H new ATOM 0 HD21 ASN A 47 10.507 -10.838 10.408 1.00 72.14 H new ATOM 0 HD22 ASN A 47 10.916 -11.795 8.980 1.00 72.14 H new ATOM 702 N GLU A 48 7.769 -14.676 10.683 1.00 13.34 N ATOM 703 CA GLU A 48 6.831 -15.033 11.746 1.00 13.33 C ATOM 704 C GLU A 48 6.021 -13.838 12.249 1.00 54.41 C ATOM 705 O GLU A 48 4.919 -14.010 12.766 1.00 24.03 O ATOM 706 CB GLU A 48 7.586 -15.683 12.906 1.00 20.14 C ATOM 707 CG GLU A 48 8.180 -17.036 12.555 1.00 14.02 C ATOM 708 CD GLU A 48 7.134 -18.128 12.430 1.00 51.10 C ATOM 709 OE1 GLU A 48 6.101 -17.907 11.757 1.00 40.14 O ATOM 710 OE2 GLU A 48 7.327 -19.211 13.024 1.00 55.21 O ATOM 0 H GLU A 48 8.741 -14.909 10.889 1.00 13.34 H new ATOM 0 HA GLU A 48 6.118 -15.740 11.322 1.00 13.33 H new ATOM 0 HB2 GLU A 48 8.385 -15.016 13.229 1.00 20.14 H new ATOM 0 HB3 GLU A 48 6.908 -15.800 13.751 1.00 20.14 H new ATOM 0 HG2 GLU A 48 8.726 -16.954 11.615 1.00 14.02 H new ATOM 0 HG3 GLU A 48 8.903 -17.319 13.320 1.00 14.02 H new ATOM 715 N HIS A 49 6.545 -12.626 12.102 1.00 32.44 N ATOM 716 CA HIS A 49 5.808 -11.447 12.539 1.00 43.10 C ATOM 717 C HIS A 49 4.722 -11.085 11.533 1.00 62.51 C ATOM 718 O HIS A 49 3.542 -11.076 11.866 1.00 2.13 O ATOM 719 CB HIS A 49 6.727 -10.237 12.736 1.00 72.41 C ATOM 720 CG HIS A 49 7.647 -10.338 13.910 1.00 54.52 C ATOM 721 ND1 HIS A 49 7.251 -10.071 15.202 1.00 13.43 N ATOM 722 CD2 HIS A 49 8.958 -10.661 13.981 1.00 53.41 C ATOM 723 CE1 HIS A 49 8.280 -10.220 16.012 1.00 34.03 C ATOM 724 NE2 HIS A 49 9.332 -10.578 15.296 1.00 60.53 N ATOM 0 H HIS A 49 7.459 -12.436 11.692 1.00 32.44 H new ATOM 0 HA HIS A 49 5.355 -11.699 13.498 1.00 43.10 H new ATOM 0 HB2 HIS A 49 7.324 -10.100 11.834 1.00 72.41 H new ATOM 0 HB3 HIS A 49 6.111 -9.345 12.849 1.00 72.41 H new ATOM 0 HD2 HIS A 49 9.594 -10.935 13.152 1.00 53.41 H new ATOM 0 HE1 HIS A 49 8.266 -10.074 17.082 1.00 34.03 H new ATOM 0 HE2 HIS A 49 10.266 -10.762 15.662 1.00 60.53 H new ATOM 731 N LEU A 50 5.123 -10.841 10.293 1.00 11.24 N ATOM 732 CA LEU A 50 4.202 -10.331 9.285 1.00 35.23 C ATOM 733 C LEU A 50 3.306 -11.420 8.705 1.00 64.01 C ATOM 734 O LEU A 50 2.123 -11.183 8.477 1.00 3.44 O ATOM 735 CB LEU A 50 4.964 -9.618 8.170 1.00 15.54 C ATOM 736 CG LEU A 50 5.736 -8.373 8.611 1.00 11.02 C ATOM 737 CD1 LEU A 50 6.290 -7.641 7.404 1.00 4.31 C ATOM 738 CD2 LEU A 50 4.846 -7.448 9.430 1.00 63.51 C ATOM 0 H LEU A 50 6.076 -10.987 9.961 1.00 11.24 H new ATOM 0 HA LEU A 50 3.551 -9.615 9.787 1.00 35.23 H new ATOM 0 HB2 LEU A 50 5.665 -10.322 7.721 1.00 15.54 H new ATOM 0 HB3 LEU A 50 4.257 -9.332 7.392 1.00 15.54 H new ATOM 0 HG LEU A 50 6.568 -8.691 9.239 1.00 11.02 H new ATOM 0 HD11 LEU A 50 6.837 -6.757 7.734 1.00 4.31 H new ATOM 0 HD12 LEU A 50 6.963 -8.300 6.856 1.00 4.31 H new ATOM 0 HD13 LEU A 50 5.469 -7.338 6.754 1.00 4.31 H new ATOM 0 HD21 LEU A 50 5.415 -6.569 9.733 1.00 63.51 H new ATOM 0 HD22 LEU A 50 3.992 -7.137 8.828 1.00 63.51 H new ATOM 0 HD23 LEU A 50 4.492 -7.974 10.316 1.00 63.51 H new ATOM 749 N THR A 51 3.856 -12.605 8.475 1.00 54.23 N ATOM 750 CA THR A 51 3.089 -13.693 7.884 1.00 20.33 C ATOM 751 C THR A 51 1.900 -14.066 8.767 1.00 45.52 C ATOM 752 O THR A 51 0.768 -14.141 8.299 1.00 61.12 O ATOM 753 CB THR A 51 3.979 -14.929 7.642 1.00 72.43 C ATOM 754 OG1 THR A 51 5.081 -14.567 6.800 1.00 2.33 O ATOM 755 CG2 THR A 51 3.192 -16.063 7.000 1.00 73.14 C ATOM 0 H THR A 51 4.826 -12.837 8.688 1.00 54.23 H new ATOM 0 HA THR A 51 2.711 -13.346 6.922 1.00 20.33 H new ATOM 0 HB THR A 51 4.347 -15.279 8.606 1.00 72.43 H new ATOM 0 HG1 THR A 51 5.140 -15.195 6.050 1.00 2.33 H new ATOM 0 HG21 THR A 51 3.849 -16.919 6.843 1.00 73.14 H new ATOM 0 HG22 THR A 51 2.370 -16.352 7.655 1.00 73.14 H new ATOM 0 HG23 THR A 51 2.793 -15.732 6.041 1.00 73.14 H new ATOM 763 N ARG A 52 2.155 -14.250 10.051 1.00 20.22 N ATOM 764 CA ARG A 52 1.107 -14.624 10.995 1.00 51.42 C ATOM 765 C ARG A 52 0.060 -13.514 11.117 1.00 61.25 C ATOM 766 O ARG A 52 -1.108 -13.775 11.408 1.00 71.15 O ATOM 767 CB ARG A 52 1.704 -14.966 12.365 1.00 14.23 C ATOM 768 CG ARG A 52 2.649 -16.159 12.328 1.00 65.32 C ATOM 769 CD ARG A 52 3.111 -16.554 13.723 1.00 31.24 C ATOM 770 NE ARG A 52 4.107 -17.633 13.694 1.00 44.23 N ATOM 771 CZ ARG A 52 4.212 -18.583 14.629 1.00 44.43 C ATOM 772 NH1 ARG A 52 3.335 -18.646 15.622 1.00 2.51 N ATOM 773 NH2 ARG A 52 5.183 -19.482 14.556 1.00 53.41 N ATOM 0 H ARG A 52 3.080 -14.147 10.468 1.00 20.22 H new ATOM 0 HA ARG A 52 0.609 -15.515 10.612 1.00 51.42 H new ATOM 0 HB2 ARG A 52 2.241 -14.098 12.747 1.00 14.23 H new ATOM 0 HB3 ARG A 52 0.895 -15.174 13.065 1.00 14.23 H new ATOM 0 HG2 ARG A 52 2.149 -17.005 11.857 1.00 65.32 H new ATOM 0 HG3 ARG A 52 3.516 -15.918 11.712 1.00 65.32 H new ATOM 0 HD2 ARG A 52 3.536 -15.684 14.223 1.00 31.24 H new ATOM 0 HD3 ARG A 52 2.251 -16.872 14.312 1.00 31.24 H new ATOM 0 HE ARG A 52 4.760 -17.659 12.911 1.00 44.23 H new ATOM 0 HH11 ARG A 52 2.575 -17.967 15.675 1.00 2.51 H new ATOM 0 HH12 ARG A 52 3.420 -19.373 16.332 1.00 2.51 H new ATOM 0 HH21 ARG A 52 5.851 -19.450 13.786 1.00 53.41 H new ATOM 0 HH22 ARG A 52 5.262 -20.206 15.270 1.00 53.41 H new ATOM 784 N LEU A 53 0.492 -12.274 10.912 1.00 75.30 N ATOM 785 CA LEU A 53 -0.395 -11.117 10.988 1.00 72.25 C ATOM 786 C LEU A 53 -1.220 -10.928 9.708 1.00 53.54 C ATOM 787 O LEU A 53 -2.442 -10.790 9.766 1.00 64.34 O ATOM 788 CB LEU A 53 0.414 -9.842 11.251 1.00 14.41 C ATOM 789 CG LEU A 53 0.946 -9.665 12.672 1.00 55.32 C ATOM 790 CD1 LEU A 53 1.913 -8.494 12.730 1.00 31.14 C ATOM 791 CD2 LEU A 53 -0.203 -9.434 13.635 1.00 73.21 C ATOM 0 H LEU A 53 1.460 -12.043 10.690 1.00 75.30 H new ATOM 0 HA LEU A 53 -1.084 -11.304 11.812 1.00 72.25 H new ATOM 0 HB2 LEU A 53 1.260 -9.824 10.563 1.00 14.41 H new ATOM 0 HB3 LEU A 53 -0.212 -8.983 11.009 1.00 14.41 H new ATOM 0 HG LEU A 53 1.474 -10.573 12.962 1.00 55.32 H new ATOM 0 HD11 LEU A 53 2.285 -8.379 13.748 1.00 31.14 H new ATOM 0 HD12 LEU A 53 2.750 -8.680 12.057 1.00 31.14 H new ATOM 0 HD13 LEU A 53 1.399 -7.582 12.426 1.00 31.14 H new ATOM 0 HD21 LEU A 53 0.188 -9.309 14.645 1.00 73.21 H new ATOM 0 HD22 LEU A 53 -0.747 -8.536 13.343 1.00 73.21 H new ATOM 0 HD23 LEU A 53 -0.876 -10.291 13.610 1.00 73.21 H new ATOM 802 N TYR A 54 -0.549 -10.930 8.556 1.00 74.14 N ATOM 803 CA TYR A 54 -1.158 -10.445 7.315 1.00 12.24 C ATOM 804 C TYR A 54 -1.480 -11.544 6.299 1.00 12.11 C ATOM 805 O TYR A 54 -2.015 -11.241 5.232 1.00 62.24 O ATOM 806 CB TYR A 54 -0.231 -9.427 6.637 1.00 32.53 C ATOM 807 CG TYR A 54 -0.054 -8.132 7.400 1.00 61.45 C ATOM 808 CD1 TYR A 54 0.904 -8.013 8.397 1.00 13.24 C ATOM 809 CD2 TYR A 54 -0.840 -7.027 7.110 1.00 65.11 C ATOM 810 CE1 TYR A 54 1.073 -6.829 9.088 1.00 21.43 C ATOM 811 CE2 TYR A 54 -0.681 -5.839 7.793 1.00 31.24 C ATOM 812 CZ TYR A 54 0.276 -5.744 8.782 1.00 54.22 C ATOM 813 OH TYR A 54 0.437 -4.559 9.463 1.00 52.25 O ATOM 0 H TYR A 54 0.411 -11.260 8.455 1.00 74.14 H new ATOM 0 HA TYR A 54 -2.104 -9.995 7.617 1.00 12.24 H new ATOM 0 HB2 TYR A 54 0.747 -9.885 6.493 1.00 32.53 H new ATOM 0 HB3 TYR A 54 -0.625 -9.199 5.647 1.00 32.53 H new ATOM 0 HD1 TYR A 54 1.528 -8.861 8.637 1.00 13.24 H new ATOM 0 HD2 TYR A 54 -1.590 -7.098 6.336 1.00 65.11 H new ATOM 0 HE1 TYR A 54 1.823 -6.753 9.862 1.00 21.43 H new ATOM 0 HE2 TYR A 54 -1.302 -4.988 7.555 1.00 31.24 H new ATOM 0 HH TYR A 54 -0.202 -3.898 9.124 1.00 52.25 H new ATOM 822 N ASN A 55 -1.161 -12.800 6.589 1.00 30.14 N ATOM 823 CA ASN A 55 -1.364 -13.853 5.588 1.00 10.02 C ATOM 824 C ASN A 55 -2.844 -14.195 5.408 1.00 15.20 C ATOM 825 O ASN A 55 -3.386 -15.073 6.080 1.00 20.45 O ATOM 826 CB ASN A 55 -0.589 -15.126 5.925 1.00 21.40 C ATOM 827 CG ASN A 55 -0.528 -16.078 4.746 1.00 72.21 C ATOM 828 OD1 ASN A 55 -0.477 -15.651 3.591 1.00 64.11 O ATOM 829 ND2 ASN A 55 -0.542 -17.372 5.027 1.00 11.43 N ATOM 0 H ASN A 55 -0.772 -13.113 7.479 1.00 30.14 H new ATOM 0 HA ASN A 55 -0.980 -13.449 4.651 1.00 10.02 H new ATOM 0 HB2 ASN A 55 0.423 -14.864 6.233 1.00 21.40 H new ATOM 0 HB3 ASN A 55 -1.061 -15.625 6.771 1.00 21.40 H new ATOM 0 HD21 ASN A 55 -0.510 -18.058 4.273 1.00 11.43 H new ATOM 0 HD22 ASN A 55 -0.585 -17.683 5.998 1.00 11.43 H new ATOM 835 N ASP A 56 -3.483 -13.480 4.496 1.00 65.11 N ATOM 836 CA ASP A 56 -4.874 -13.734 4.129 1.00 71.03 C ATOM 837 C ASP A 56 -5.014 -13.658 2.610 1.00 10.30 C ATOM 838 O ASP A 56 -4.914 -14.667 1.910 1.00 61.32 O ATOM 839 CB ASP A 56 -5.805 -12.723 4.814 1.00 72.34 C ATOM 840 CG ASP A 56 -7.249 -12.853 4.369 1.00 44.00 C ATOM 841 OD1 ASP A 56 -7.936 -13.780 4.835 1.00 32.32 O ATOM 842 OD2 ASP A 56 -7.700 -12.022 3.556 1.00 12.24 O ATOM 0 H ASP A 56 -3.055 -12.706 3.987 1.00 65.11 H new ATOM 0 HA ASP A 56 -5.161 -14.730 4.465 1.00 71.03 H new ATOM 0 HB2 ASP A 56 -5.749 -12.860 5.894 1.00 72.34 H new ATOM 0 HB3 ASP A 56 -5.455 -11.713 4.602 1.00 72.34 H new ATOM 846 N ARG A 57 -5.207 -12.449 2.108 1.00 74.40 N ATOM 847 CA ARG A 57 -5.175 -12.163 0.686 1.00 65.34 C ATOM 848 C ARG A 57 -4.451 -10.847 0.549 1.00 45.23 C ATOM 849 O ARG A 57 -5.073 -9.791 0.443 1.00 53.14 O ATOM 850 CB ARG A 57 -6.581 -12.075 0.072 1.00 75.55 C ATOM 851 CG ARG A 57 -7.477 -13.248 0.426 1.00 64.42 C ATOM 852 CD ARG A 57 -8.672 -13.344 -0.503 1.00 41.12 C ATOM 853 NE ARG A 57 -8.328 -13.991 -1.769 1.00 33.52 N ATOM 854 CZ ARG A 57 -8.598 -15.266 -2.042 1.00 54.43 C ATOM 855 NH1 ARG A 57 -9.237 -16.016 -1.151 1.00 34.23 N ATOM 856 NH2 ARG A 57 -8.241 -15.789 -3.208 1.00 21.44 N ATOM 0 H ARG A 57 -5.393 -11.629 2.686 1.00 74.40 H new ATOM 0 HA ARG A 57 -4.673 -12.967 0.148 1.00 65.34 H new ATOM 0 HB2 ARG A 57 -7.056 -11.153 0.406 1.00 75.55 H new ATOM 0 HB3 ARG A 57 -6.491 -12.013 -1.012 1.00 75.55 H new ATOM 0 HG2 ARG A 57 -6.902 -14.173 0.376 1.00 64.42 H new ATOM 0 HG3 ARG A 57 -7.823 -13.144 1.454 1.00 64.42 H new ATOM 0 HD2 ARG A 57 -9.468 -13.905 -0.013 1.00 41.12 H new ATOM 0 HD3 ARG A 57 -9.060 -12.345 -0.700 1.00 41.12 H new ATOM 0 HE ARG A 57 -7.855 -13.435 -2.482 1.00 33.52 H new ATOM 0 HH11 ARG A 57 -9.521 -15.615 -0.257 1.00 34.23 H new ATOM 0 HH12 ARG A 57 -9.444 -16.993 -1.361 1.00 34.23 H new ATOM 0 HH21 ARG A 57 -7.758 -15.214 -3.898 1.00 21.44 H new ATOM 0 HH22 ARG A 57 -8.449 -16.766 -3.414 1.00 21.44 H new ATOM 867 N VAL A 58 -3.130 -10.942 0.584 1.00 11.55 N ATOM 868 CA VAL A 58 -2.267 -9.840 0.946 1.00 54.12 C ATOM 869 C VAL A 58 -2.538 -8.564 0.191 1.00 24.52 C ATOM 870 O VAL A 58 -3.358 -7.768 0.646 1.00 53.04 O ATOM 871 CB VAL A 58 -0.759 -10.198 0.855 1.00 63.51 C ATOM 872 CG1 VAL A 58 -0.154 -10.262 2.247 1.00 32.32 C ATOM 873 CG2 VAL A 58 -0.534 -11.519 0.127 1.00 60.51 C ATOM 0 H VAL A 58 -2.626 -11.800 0.358 1.00 11.55 H new ATOM 0 HA VAL A 58 -2.518 -9.652 1.990 1.00 54.12 H new ATOM 0 HB VAL A 58 -0.267 -9.414 0.279 1.00 63.51 H new ATOM 0 HG11 VAL A 58 0.904 -10.514 2.173 1.00 32.32 H new ATOM 0 HG12 VAL A 58 -0.263 -9.294 2.736 1.00 32.32 H new ATOM 0 HG13 VAL A 58 -0.668 -11.024 2.832 1.00 32.32 H new ATOM 0 HG21 VAL A 58 0.534 -11.734 0.084 1.00 60.51 H new ATOM 0 HG22 VAL A 58 -1.044 -12.320 0.661 1.00 60.51 H new ATOM 0 HG23 VAL A 58 -0.931 -11.448 -0.886 1.00 60.51 H new ATOM 883 N PRO A 59 -1.963 -8.409 -1.004 1.00 60.01 N ATOM 884 CA PRO A 59 -1.500 -7.132 -1.486 1.00 41.43 C ATOM 885 C PRO A 59 -2.147 -5.927 -0.795 1.00 42.40 C ATOM 886 O PRO A 59 -3.061 -5.301 -1.332 1.00 64.01 O ATOM 887 CB PRO A 59 -1.821 -7.179 -2.977 1.00 12.45 C ATOM 888 CG PRO A 59 -1.861 -8.638 -3.337 1.00 52.33 C ATOM 889 CD PRO A 59 -1.814 -9.431 -2.048 1.00 12.04 C ATOM 0 HA PRO A 59 -0.441 -6.987 -1.273 1.00 41.43 H new ATOM 0 HB2 PRO A 59 -2.776 -6.697 -3.188 1.00 12.45 H new ATOM 0 HB3 PRO A 59 -1.063 -6.653 -3.558 1.00 12.45 H new ATOM 0 HG2 PRO A 59 -2.768 -8.869 -3.896 1.00 52.33 H new ATOM 0 HG3 PRO A 59 -1.018 -8.897 -3.977 1.00 52.33 H new ATOM 0 HD2 PRO A 59 -2.615 -10.169 -2.003 1.00 12.04 H new ATOM 0 HD3 PRO A 59 -0.874 -9.974 -1.946 1.00 12.04 H new ATOM 894 N VAL A 60 -1.664 -5.627 0.413 1.00 35.41 N ATOM 895 CA VAL A 60 -2.303 -4.646 1.286 1.00 25.31 C ATOM 896 C VAL A 60 -1.599 -3.306 1.215 1.00 20.22 C ATOM 897 O VAL A 60 -0.374 -3.244 1.285 1.00 3.41 O ATOM 898 CB VAL A 60 -2.303 -5.092 2.772 1.00 31.33 C ATOM 899 CG1 VAL A 60 -3.696 -4.979 3.372 1.00 75.43 C ATOM 900 CG2 VAL A 60 -1.758 -6.502 2.945 1.00 45.34 C ATOM 0 H VAL A 60 -0.826 -6.054 0.809 1.00 35.41 H new ATOM 0 HA VAL A 60 -3.330 -4.561 0.930 1.00 25.31 H new ATOM 0 HB VAL A 60 -1.637 -4.417 3.309 1.00 31.33 H new ATOM 0 HG11 VAL A 60 -3.670 -5.297 4.414 1.00 75.43 H new ATOM 0 HG12 VAL A 60 -4.033 -3.944 3.317 1.00 75.43 H new ATOM 0 HG13 VAL A 60 -4.385 -5.615 2.815 1.00 75.43 H new ATOM 0 HG21 VAL A 60 -1.777 -6.772 4.001 1.00 45.34 H new ATOM 0 HG22 VAL A 60 -2.374 -7.202 2.380 1.00 45.34 H new ATOM 0 HG23 VAL A 60 -0.732 -6.543 2.578 1.00 45.34 H new ATOM 910 N LEU A 61 -2.372 -2.242 1.079 1.00 72.13 N ATOM 911 CA LEU A 61 -1.831 -0.902 1.196 1.00 63.44 C ATOM 912 C LEU A 61 -1.868 -0.460 2.649 1.00 32.45 C ATOM 913 O LEU A 61 -2.933 -0.175 3.206 1.00 31.43 O ATOM 914 CB LEU A 61 -2.606 0.086 0.322 1.00 5.21 C ATOM 915 CG LEU A 61 -2.384 -0.066 -1.182 1.00 70.43 C ATOM 916 CD1 LEU A 61 -3.199 0.967 -1.943 1.00 32.21 C ATOM 917 CD2 LEU A 61 -0.903 0.061 -1.514 1.00 53.32 C ATOM 0 H LEU A 61 -3.373 -2.281 0.888 1.00 72.13 H new ATOM 0 HA LEU A 61 -0.798 -0.916 0.848 1.00 63.44 H new ATOM 0 HB2 LEU A 61 -3.670 -0.027 0.530 1.00 5.21 H new ATOM 0 HB3 LEU A 61 -2.330 1.099 0.614 1.00 5.21 H new ATOM 0 HG LEU A 61 -2.718 -1.057 -1.487 1.00 70.43 H new ATOM 0 HD11 LEU A 61 -3.031 0.847 -3.013 1.00 32.21 H new ATOM 0 HD12 LEU A 61 -4.258 0.828 -1.724 1.00 32.21 H new ATOM 0 HD13 LEU A 61 -2.894 1.968 -1.638 1.00 32.21 H new ATOM 0 HD21 LEU A 61 -0.760 -0.049 -2.589 1.00 53.32 H new ATOM 0 HD22 LEU A 61 -0.542 1.040 -1.199 1.00 53.32 H new ATOM 0 HD23 LEU A 61 -0.345 -0.717 -0.992 1.00 53.32 H new ATOM 928 N PHE A 62 -0.701 -0.435 3.260 1.00 43.24 N ATOM 929 CA PHE A 62 -0.562 -0.034 4.642 1.00 74.24 C ATOM 930 C PHE A 62 -0.293 1.462 4.722 1.00 64.12 C ATOM 931 O PHE A 62 0.675 1.960 4.144 1.00 62.20 O ATOM 932 CB PHE A 62 0.582 -0.823 5.288 1.00 72.54 C ATOM 933 CG PHE A 62 0.893 -0.425 6.701 1.00 64.23 C ATOM 934 CD1 PHE A 62 0.104 -0.868 7.748 1.00 60.53 C ATOM 935 CD2 PHE A 62 1.977 0.390 6.980 1.00 61.13 C ATOM 936 CE1 PHE A 62 0.389 -0.507 9.049 1.00 51.51 C ATOM 937 CE2 PHE A 62 2.270 0.754 8.278 1.00 44.44 C ATOM 938 CZ PHE A 62 1.475 0.307 9.313 1.00 65.34 C ATOM 0 H PHE A 62 0.178 -0.693 2.810 1.00 43.24 H new ATOM 0 HA PHE A 62 -1.486 -0.247 5.180 1.00 74.24 H new ATOM 0 HB2 PHE A 62 0.331 -1.883 5.270 1.00 72.54 H new ATOM 0 HB3 PHE A 62 1.480 -0.698 4.683 1.00 72.54 H new ATOM 0 HD1 PHE A 62 -0.745 -1.504 7.544 1.00 60.53 H new ATOM 0 HD2 PHE A 62 2.600 0.745 6.172 1.00 61.13 H new ATOM 0 HE1 PHE A 62 -0.234 -0.859 9.858 1.00 51.51 H new ATOM 0 HE2 PHE A 62 3.120 1.388 8.483 1.00 44.44 H new ATOM 0 HZ PHE A 62 1.701 0.593 10.330 1.00 65.34 H new ATOM 947 N ALA A 63 -1.159 2.166 5.429 1.00 23.35 N ATOM 948 CA ALA A 63 -1.034 3.604 5.582 1.00 2.23 C ATOM 949 C ALA A 63 0.041 3.938 6.601 1.00 2.24 C ATOM 950 O ALA A 63 -0.183 3.831 7.804 1.00 34.32 O ATOM 951 CB ALA A 63 -2.365 4.207 5.998 1.00 21.23 C ATOM 0 H ALA A 63 -1.962 1.761 5.910 1.00 23.35 H new ATOM 0 HA ALA A 63 -0.743 4.031 4.622 1.00 2.23 H new ATOM 0 HB1 ALA A 63 -2.257 5.286 6.109 1.00 21.23 H new ATOM 0 HB2 ALA A 63 -3.115 3.994 5.236 1.00 21.23 H new ATOM 0 HB3 ALA A 63 -2.680 3.774 6.948 1.00 21.23 H new ATOM 957 N VAL A 64 1.214 4.306 6.115 1.00 41.00 N ATOM 958 CA VAL A 64 2.311 4.708 6.984 1.00 75.44 C ATOM 959 C VAL A 64 1.956 6.037 7.669 1.00 62.33 C ATOM 960 O VAL A 64 1.030 6.722 7.228 1.00 3.22 O ATOM 961 CB VAL A 64 3.625 4.833 6.168 1.00 31.41 C ATOM 962 CG1 VAL A 64 4.812 5.199 7.044 1.00 40.44 C ATOM 963 CG2 VAL A 64 3.901 3.535 5.420 1.00 3.45 C ATOM 0 H VAL A 64 1.433 4.335 5.119 1.00 41.00 H new ATOM 0 HA VAL A 64 2.467 3.950 7.751 1.00 75.44 H new ATOM 0 HB VAL A 64 3.490 5.644 5.452 1.00 31.41 H new ATOM 0 HG11 VAL A 64 5.709 5.275 6.429 1.00 40.44 H new ATOM 0 HG12 VAL A 64 4.624 6.156 7.531 1.00 40.44 H new ATOM 0 HG13 VAL A 64 4.956 4.429 7.802 1.00 40.44 H new ATOM 0 HG21 VAL A 64 4.825 3.633 4.850 1.00 3.45 H new ATOM 0 HG22 VAL A 64 4.000 2.717 6.134 1.00 3.45 H new ATOM 0 HG23 VAL A 64 3.076 3.325 4.740 1.00 3.45 H new ATOM 973 N ASN A 65 2.649 6.367 8.764 1.00 41.30 N ATOM 974 CA ASN A 65 2.411 7.607 9.527 1.00 74.23 C ATOM 975 C ASN A 65 1.201 7.477 10.448 1.00 1.44 C ATOM 976 O ASN A 65 1.263 7.855 11.616 1.00 1.21 O ATOM 977 CB ASN A 65 2.255 8.836 8.614 1.00 12.25 C ATOM 978 CG ASN A 65 3.580 9.359 8.096 1.00 71.23 C ATOM 979 OD1 ASN A 65 4.203 10.220 8.718 1.00 44.24 O ATOM 980 ND2 ASN A 65 4.018 8.850 6.956 1.00 31.04 N ATOM 0 H ASN A 65 3.392 5.785 9.150 1.00 41.30 H new ATOM 0 HA ASN A 65 3.298 7.761 10.141 1.00 74.23 H new ATOM 0 HB2 ASN A 65 1.618 8.576 7.769 1.00 12.25 H new ATOM 0 HB3 ASN A 65 1.747 9.629 9.164 1.00 12.25 H new ATOM 0 HD21 ASN A 65 4.903 9.170 6.561 1.00 31.04 H new ATOM 0 HD22 ASN A 65 3.471 8.138 6.472 1.00 31.04 H new ATOM 986 N GLU A 66 0.098 6.957 9.926 1.00 73.53 N ATOM 987 CA GLU A 66 -1.072 6.690 10.756 1.00 72.12 C ATOM 988 C GLU A 66 -1.057 5.248 11.239 1.00 23.13 C ATOM 989 O GLU A 66 -1.620 4.928 12.285 1.00 12.13 O ATOM 990 CB GLU A 66 -2.370 6.972 9.997 1.00 15.10 C ATOM 991 CG GLU A 66 -2.605 8.445 9.697 1.00 62.20 C ATOM 992 CD GLU A 66 -4.040 8.731 9.303 1.00 11.14 C ATOM 993 OE1 GLU A 66 -4.880 7.810 9.388 1.00 2.05 O ATOM 994 OE2 GLU A 66 -4.344 9.884 8.930 1.00 51.41 O ATOM 0 H GLU A 66 -0.012 6.713 8.942 1.00 73.53 H new ATOM 0 HA GLU A 66 -1.030 7.358 11.616 1.00 72.12 H new ATOM 0 HB2 GLU A 66 -2.357 6.418 9.058 1.00 15.10 H new ATOM 0 HB3 GLU A 66 -3.209 6.592 10.580 1.00 15.10 H new ATOM 0 HG2 GLU A 66 -2.347 9.038 10.575 1.00 62.20 H new ATOM 0 HG3 GLU A 66 -1.940 8.760 8.893 1.00 62.20 H new ATOM 999 N ASP A 67 -0.402 4.395 10.460 1.00 12.34 N ATOM 1000 CA ASP A 67 -0.253 2.976 10.770 1.00 72.51 C ATOM 1001 C ASP A 67 -1.603 2.270 10.855 1.00 50.30 C ATOM 1002 O ASP A 67 -2.164 2.085 11.941 1.00 53.22 O ATOM 1003 CB ASP A 67 0.545 2.766 12.061 1.00 72.22 C ATOM 1004 CG ASP A 67 2.002 3.175 11.927 1.00 13.42 C ATOM 1005 OD1 ASP A 67 2.753 2.492 11.200 1.00 3.33 O ATOM 1006 OD2 ASP A 67 2.412 4.170 12.563 1.00 12.10 O ATOM 0 H ASP A 67 0.046 4.671 9.586 1.00 12.34 H new ATOM 0 HA ASP A 67 0.306 2.530 9.947 1.00 72.51 H new ATOM 0 HB2 ASP A 67 0.084 3.340 12.865 1.00 72.22 H new ATOM 0 HB3 ASP A 67 0.492 1.716 12.348 1.00 72.22 H new ATOM 1010 N LYS A 68 -2.125 1.899 9.687 1.00 32.32 N ATOM 1011 CA LYS A 68 -3.387 1.177 9.591 1.00 51.43 C ATOM 1012 C LYS A 68 -3.543 0.574 8.194 1.00 23.54 C ATOM 1013 O LYS A 68 -2.810 0.932 7.269 1.00 72.24 O ATOM 1014 CB LYS A 68 -4.566 2.105 9.899 1.00 20.20 C ATOM 1015 CG LYS A 68 -4.746 3.229 8.890 1.00 34.52 C ATOM 1016 CD LYS A 68 -5.894 4.140 9.282 1.00 61.11 C ATOM 1017 CE LYS A 68 -6.187 5.168 8.204 1.00 3.24 C ATOM 1018 NZ LYS A 68 -7.277 6.094 8.603 1.00 22.02 N ATOM 0 H LYS A 68 -1.686 2.090 8.787 1.00 32.32 H new ATOM 0 HA LYS A 68 -3.381 0.372 10.326 1.00 51.43 H new ATOM 0 HB2 LYS A 68 -5.481 1.514 9.936 1.00 20.20 H new ATOM 0 HB3 LYS A 68 -4.426 2.538 10.889 1.00 20.20 H new ATOM 0 HG2 LYS A 68 -3.826 3.809 8.820 1.00 34.52 H new ATOM 0 HG3 LYS A 68 -4.933 2.808 7.902 1.00 34.52 H new ATOM 0 HD2 LYS A 68 -6.786 3.542 9.467 1.00 61.11 H new ATOM 0 HD3 LYS A 68 -5.652 4.649 10.215 1.00 61.11 H new ATOM 0 HE2 LYS A 68 -5.284 5.740 7.993 1.00 3.24 H new ATOM 0 HE3 LYS A 68 -6.464 4.658 7.281 1.00 3.24 H new ATOM 0 HZ1 LYS A 68 -7.851 6.334 7.770 1.00 22.02 H new ATOM 0 HZ2 LYS A 68 -7.878 5.635 9.317 1.00 22.02 H new ATOM 0 HZ3 LYS A 68 -6.866 6.962 9.003 1.00 22.02 H new ATOM 1028 N GLU A 69 -4.499 -0.334 8.050 1.00 32.20 N ATOM 1029 CA GLU A 69 -4.746 -1.007 6.777 1.00 53.41 C ATOM 1030 C GLU A 69 -5.834 -0.279 5.993 1.00 13.12 C ATOM 1031 O GLU A 69 -6.915 -0.006 6.520 1.00 63.33 O ATOM 1032 CB GLU A 69 -5.156 -2.461 7.028 1.00 30.11 C ATOM 1033 CG GLU A 69 -4.081 -3.281 7.726 1.00 72.44 C ATOM 1034 CD GLU A 69 -4.618 -4.550 8.360 1.00 14.24 C ATOM 1035 OE1 GLU A 69 -5.781 -4.552 8.814 1.00 71.21 O ATOM 1036 OE2 GLU A 69 -3.876 -5.553 8.411 1.00 2.04 O ATOM 0 H GLU A 69 -5.122 -0.625 8.804 1.00 32.20 H new ATOM 0 HA GLU A 69 -3.829 -0.994 6.188 1.00 53.41 H new ATOM 0 HB2 GLU A 69 -6.063 -2.476 7.632 1.00 30.11 H new ATOM 0 HB3 GLU A 69 -5.400 -2.931 6.075 1.00 30.11 H new ATOM 0 HG2 GLU A 69 -3.306 -3.542 7.005 1.00 72.44 H new ATOM 0 HG3 GLU A 69 -3.608 -2.670 8.495 1.00 72.44 H new ATOM 1041 N LEU A 70 -5.545 0.051 4.736 1.00 1.42 N ATOM 1042 CA LEU A 70 -6.508 0.765 3.902 1.00 12.40 C ATOM 1043 C LEU A 70 -7.225 -0.173 2.939 1.00 44.01 C ATOM 1044 O LEU A 70 -8.333 -0.639 3.200 1.00 41.23 O ATOM 1045 CB LEU A 70 -5.829 1.863 3.075 1.00 41.34 C ATOM 1046 CG LEU A 70 -5.083 2.939 3.855 1.00 1.22 C ATOM 1047 CD1 LEU A 70 -4.505 3.956 2.891 1.00 43.31 C ATOM 1048 CD2 LEU A 70 -5.997 3.619 4.860 1.00 61.10 C ATOM 0 H LEU A 70 -4.660 -0.162 4.276 1.00 1.42 H new ATOM 0 HA LEU A 70 -7.230 1.209 4.588 1.00 12.40 H new ATOM 0 HB2 LEU A 70 -5.126 1.389 2.390 1.00 41.34 H new ATOM 0 HB3 LEU A 70 -6.590 2.350 2.464 1.00 41.34 H new ATOM 0 HG LEU A 70 -4.272 2.468 4.410 1.00 1.22 H new ATOM 0 HD11 LEU A 70 -3.972 4.725 3.450 1.00 43.31 H new ATOM 0 HD12 LEU A 70 -3.815 3.459 2.209 1.00 43.31 H new ATOM 0 HD13 LEU A 70 -5.312 4.416 2.320 1.00 43.31 H new ATOM 0 HD21 LEU A 70 -5.438 4.382 5.402 1.00 61.10 H new ATOM 0 HD22 LEU A 70 -6.832 4.084 4.336 1.00 61.10 H new ATOM 0 HD23 LEU A 70 -6.378 2.879 5.564 1.00 61.10 H new ATOM 1059 N CYS A 71 -6.561 -0.456 1.830 1.00 4.44 N ATOM 1060 CA CYS A 71 -7.180 -1.146 0.715 1.00 53.42 C ATOM 1061 C CYS A 71 -6.257 -2.224 0.173 1.00 41.41 C ATOM 1062 O CYS A 71 -5.036 -2.091 0.242 1.00 53.13 O ATOM 1063 CB CYS A 71 -7.507 -0.131 -0.385 1.00 41.14 C ATOM 1064 SG CYS A 71 -8.149 -0.856 -1.907 1.00 30.11 S ATOM 0 H CYS A 71 -5.582 -0.214 1.680 1.00 4.44 H new ATOM 0 HA CYS A 71 -8.097 -1.625 1.057 1.00 53.42 H new ATOM 0 HB2 CYS A 71 -8.238 0.580 0.000 1.00 41.14 H new ATOM 0 HB3 CYS A 71 -6.605 0.435 -0.619 1.00 41.14 H new ATOM 0 HG CYS A 71 -9.428 -1.056 -1.787 1.00 30.11 H new ATOM 1069 N HIS A 72 -6.834 -3.297 -0.345 1.00 64.42 N ATOM 1070 CA HIS A 72 -6.046 -4.360 -0.945 1.00 75.14 C ATOM 1071 C HIS A 72 -6.771 -4.981 -2.135 1.00 43.52 C ATOM 1072 O HIS A 72 -7.975 -4.773 -2.313 1.00 11.32 O ATOM 1073 CB HIS A 72 -5.691 -5.430 0.103 1.00 34.13 C ATOM 1074 CG HIS A 72 -6.831 -6.292 0.565 1.00 61.22 C ATOM 1075 ND1 HIS A 72 -6.732 -7.661 0.661 1.00 23.32 N ATOM 1076 CD2 HIS A 72 -8.077 -5.977 0.997 1.00 75.00 C ATOM 1077 CE1 HIS A 72 -7.863 -8.153 1.125 1.00 25.52 C ATOM 1078 NE2 HIS A 72 -8.696 -7.153 1.339 1.00 65.31 N ATOM 0 H HIS A 72 -7.842 -3.454 -0.362 1.00 64.42 H new ATOM 0 HA HIS A 72 -5.118 -3.923 -1.315 1.00 75.14 H new ATOM 0 HB2 HIS A 72 -4.916 -6.075 -0.311 1.00 34.13 H new ATOM 0 HB3 HIS A 72 -5.260 -4.932 0.972 1.00 34.13 H new ATOM 0 HD1 HIS A 72 -5.910 -8.210 0.411 1.00 23.32 H new ATOM 0 HD2 HIS A 72 -8.503 -4.986 1.060 1.00 75.00 H new ATOM 0 HE1 HIS A 72 -8.072 -9.198 1.300 1.00 25.52 H new ATOM 1085 N TYR A 73 -6.007 -5.704 -2.953 1.00 34.21 N ATOM 1086 CA TYR A 73 -6.529 -6.538 -4.042 1.00 31.40 C ATOM 1087 C TYR A 73 -6.820 -5.757 -5.328 1.00 1.11 C ATOM 1088 O TYR A 73 -6.029 -5.806 -6.267 1.00 54.14 O ATOM 1089 CB TYR A 73 -7.764 -7.326 -3.595 1.00 70.44 C ATOM 1090 CG TYR A 73 -7.604 -8.825 -3.730 1.00 12.43 C ATOM 1091 CD1 TYR A 73 -6.539 -9.487 -3.129 1.00 43.25 C ATOM 1092 CD2 TYR A 73 -8.516 -9.577 -4.454 1.00 41.42 C ATOM 1093 CE1 TYR A 73 -6.393 -10.855 -3.248 1.00 24.02 C ATOM 1094 CE2 TYR A 73 -8.377 -10.944 -4.578 1.00 22.40 C ATOM 1095 CZ TYR A 73 -7.317 -11.579 -3.973 1.00 34.30 C ATOM 1096 OH TYR A 73 -7.179 -12.944 -4.092 1.00 23.10 O ATOM 0 H TYR A 73 -4.990 -5.729 -2.879 1.00 34.21 H new ATOM 0 HA TYR A 73 -5.731 -7.240 -4.285 1.00 31.40 H new ATOM 0 HB2 TYR A 73 -7.983 -7.084 -2.555 1.00 70.44 H new ATOM 0 HB3 TYR A 73 -8.623 -7.006 -4.185 1.00 70.44 H new ATOM 0 HD1 TYR A 73 -5.815 -8.923 -2.560 1.00 43.25 H new ATOM 0 HD2 TYR A 73 -9.351 -9.084 -4.930 1.00 41.42 H new ATOM 0 HE1 TYR A 73 -5.560 -11.355 -2.776 1.00 24.02 H new ATOM 0 HE2 TYR A 73 -9.097 -11.513 -5.147 1.00 22.40 H new ATOM 0 HH TYR A 73 -7.914 -13.301 -4.633 1.00 23.10 H new ATOM 1105 N PHE A 74 -7.931 -5.031 -5.383 1.00 62.13 N ATOM 1106 CA PHE A 74 -8.383 -4.452 -6.652 1.00 13.44 C ATOM 1107 C PHE A 74 -8.345 -2.929 -6.651 1.00 75.25 C ATOM 1108 O PHE A 74 -8.690 -2.298 -7.654 1.00 10.35 O ATOM 1109 CB PHE A 74 -9.794 -4.930 -6.985 1.00 63.41 C ATOM 1110 CG PHE A 74 -9.850 -6.338 -7.505 1.00 72.32 C ATOM 1111 CD1 PHE A 74 -9.471 -6.620 -8.807 1.00 5.34 C ATOM 1112 CD2 PHE A 74 -10.290 -7.375 -6.700 1.00 20.43 C ATOM 1113 CE1 PHE A 74 -9.529 -7.911 -9.296 1.00 64.23 C ATOM 1114 CE2 PHE A 74 -10.348 -8.668 -7.181 1.00 4.13 C ATOM 1115 CZ PHE A 74 -9.967 -8.937 -8.481 1.00 5.31 C ATOM 0 H PHE A 74 -8.529 -4.829 -4.582 1.00 62.13 H new ATOM 0 HA PHE A 74 -7.686 -4.796 -7.416 1.00 13.44 H new ATOM 0 HB2 PHE A 74 -10.413 -4.858 -6.090 1.00 63.41 H new ATOM 0 HB3 PHE A 74 -10.229 -4.261 -7.728 1.00 63.41 H new ATOM 0 HD1 PHE A 74 -9.126 -5.822 -9.447 1.00 5.34 H new ATOM 0 HD2 PHE A 74 -10.592 -7.170 -5.683 1.00 20.43 H new ATOM 0 HE1 PHE A 74 -9.232 -8.118 -10.314 1.00 64.23 H new ATOM 0 HE2 PHE A 74 -10.691 -9.468 -6.542 1.00 4.13 H new ATOM 0 HZ PHE A 74 -10.011 -9.947 -8.860 1.00 5.31 H new ATOM 1124 N LEU A 75 -7.927 -2.353 -5.531 1.00 23.43 N ATOM 1125 CA LEU A 75 -7.806 -0.903 -5.382 1.00 3.10 C ATOM 1126 C LEU A 75 -9.173 -0.224 -5.418 1.00 60.52 C ATOM 1127 O LEU A 75 -9.817 -0.130 -6.462 1.00 30.33 O ATOM 1128 CB LEU A 75 -6.910 -0.306 -6.470 1.00 31.33 C ATOM 1129 CG LEU A 75 -6.500 1.144 -6.226 1.00 24.21 C ATOM 1130 CD1 LEU A 75 -5.450 1.210 -5.135 1.00 1.05 C ATOM 1131 CD2 LEU A 75 -5.991 1.780 -7.504 1.00 64.01 C ATOM 0 H LEU A 75 -7.661 -2.877 -4.697 1.00 23.43 H new ATOM 0 HA LEU A 75 -7.349 -0.721 -4.409 1.00 3.10 H new ATOM 0 HB2 LEU A 75 -6.010 -0.915 -6.557 1.00 31.33 H new ATOM 0 HB3 LEU A 75 -7.430 -0.367 -7.426 1.00 31.33 H new ATOM 0 HG LEU A 75 -7.376 1.705 -5.900 1.00 24.21 H new ATOM 0 HD11 LEU A 75 -5.164 2.248 -4.968 1.00 1.05 H new ATOM 0 HD12 LEU A 75 -5.856 0.793 -4.214 1.00 1.05 H new ATOM 0 HD13 LEU A 75 -4.574 0.636 -5.438 1.00 1.05 H new ATOM 0 HD21 LEU A 75 -5.704 2.813 -7.307 1.00 64.01 H new ATOM 0 HD22 LEU A 75 -5.125 1.226 -7.866 1.00 64.01 H new ATOM 0 HD23 LEU A 75 -6.777 1.759 -8.259 1.00 64.01 H new ATOM 1142 N ASP A 76 -9.611 0.257 -4.268 1.00 3.10 N ATOM 1143 CA ASP A 76 -10.893 0.945 -4.166 1.00 54.12 C ATOM 1144 C ASP A 76 -10.768 2.393 -4.624 1.00 51.32 C ATOM 1145 O ASP A 76 -11.762 3.017 -4.994 1.00 4.34 O ATOM 1146 CB ASP A 76 -11.413 0.897 -2.728 1.00 21.04 C ATOM 1147 CG ASP A 76 -11.825 -0.499 -2.305 1.00 34.02 C ATOM 1148 OD1 ASP A 76 -10.966 -1.250 -1.796 1.00 4.31 O ATOM 1149 OD2 ASP A 76 -13.008 -0.853 -2.477 1.00 22.22 O ATOM 0 H ASP A 76 -9.099 0.185 -3.388 1.00 3.10 H new ATOM 0 HA ASP A 76 -11.603 0.434 -4.817 1.00 54.12 H new ATOM 0 HB2 ASP A 76 -10.640 1.264 -2.053 1.00 21.04 H new ATOM 0 HB3 ASP A 76 -12.266 1.569 -2.631 1.00 21.04 H new ATOM 1153 N SER A 77 -9.536 2.911 -4.593 1.00 24.12 N ATOM 1154 CA SER A 77 -9.236 4.299 -4.968 1.00 12.42 C ATOM 1155 C SER A 77 -9.767 5.297 -3.931 1.00 43.44 C ATOM 1156 O SER A 77 -9.010 6.111 -3.405 1.00 11.11 O ATOM 1157 CB SER A 77 -9.788 4.632 -6.363 1.00 75.20 C ATOM 1158 OG SER A 77 -9.247 3.768 -7.352 1.00 64.00 O ATOM 0 H SER A 77 -8.715 2.378 -4.306 1.00 24.12 H new ATOM 0 HA SER A 77 -8.150 4.392 -4.996 1.00 12.42 H new ATOM 0 HB2 SER A 77 -10.875 4.546 -6.357 1.00 75.20 H new ATOM 0 HB3 SER A 77 -9.552 5.667 -6.612 1.00 75.20 H new ATOM 0 HG SER A 77 -9.617 4.002 -8.229 1.00 64.00 H new ATOM 1163 N ASP A 78 -11.056 5.213 -3.624 1.00 63.41 N ATOM 1164 CA ASP A 78 -11.703 6.160 -2.714 1.00 32.32 C ATOM 1165 C ASP A 78 -11.073 6.138 -1.322 1.00 4.33 C ATOM 1166 O ASP A 78 -10.798 7.184 -0.744 1.00 12.33 O ATOM 1167 CB ASP A 78 -13.199 5.853 -2.597 1.00 54.42 C ATOM 1168 CG ASP A 78 -13.909 5.906 -3.931 1.00 45.53 C ATOM 1169 OD1 ASP A 78 -14.321 7.008 -4.352 1.00 22.51 O ATOM 1170 OD2 ASP A 78 -14.063 4.843 -4.566 1.00 55.20 O ATOM 0 H ASP A 78 -11.680 4.495 -3.993 1.00 63.41 H new ATOM 0 HA ASP A 78 -11.562 7.155 -3.136 1.00 32.32 H new ATOM 0 HB2 ASP A 78 -13.330 4.864 -2.159 1.00 54.42 H new ATOM 0 HB3 ASP A 78 -13.661 6.567 -1.915 1.00 54.42 H new ATOM 1174 N VAL A 79 -10.843 4.942 -0.798 1.00 53.42 N ATOM 1175 CA VAL A 79 -10.309 4.783 0.555 1.00 53.52 C ATOM 1176 C VAL A 79 -8.920 5.403 0.698 1.00 62.55 C ATOM 1177 O VAL A 79 -8.656 6.129 1.658 1.00 22.04 O ATOM 1178 CB VAL A 79 -10.278 3.297 0.970 1.00 75.44 C ATOM 1179 CG1 VAL A 79 -9.611 3.115 2.331 1.00 51.33 C ATOM 1180 CG2 VAL A 79 -11.695 2.751 0.995 1.00 14.14 C ATOM 0 H VAL A 79 -11.017 4.064 -1.287 1.00 53.42 H new ATOM 0 HA VAL A 79 -10.982 5.318 1.225 1.00 53.52 H new ATOM 0 HB VAL A 79 -9.688 2.744 0.239 1.00 75.44 H new ATOM 0 HG11 VAL A 79 -9.605 2.057 2.595 1.00 51.33 H new ATOM 0 HG12 VAL A 79 -8.586 3.484 2.286 1.00 51.33 H new ATOM 0 HG13 VAL A 79 -10.165 3.674 3.085 1.00 51.33 H new ATOM 0 HG21 VAL A 79 -11.675 1.701 1.288 1.00 14.14 H new ATOM 0 HG22 VAL A 79 -12.290 3.317 1.712 1.00 14.14 H new ATOM 0 HG23 VAL A 79 -12.138 2.843 0.003 1.00 14.14 H new ATOM 1190 N ILE A 80 -8.038 5.144 -0.261 1.00 24.10 N ATOM 1191 CA ILE A 80 -6.707 5.728 -0.211 1.00 15.15 C ATOM 1192 C ILE A 80 -6.786 7.220 -0.513 1.00 44.03 C ATOM 1193 O ILE A 80 -6.051 8.008 0.064 1.00 12.02 O ATOM 1194 CB ILE A 80 -5.707 5.036 -1.170 1.00 71.32 C ATOM 1195 CG1 ILE A 80 -4.358 5.752 -1.151 1.00 52.53 C ATOM 1196 CG2 ILE A 80 -6.244 4.990 -2.575 1.00 53.23 C ATOM 1197 CD1 ILE A 80 -3.698 5.733 0.198 1.00 24.02 C ATOM 0 H ILE A 80 -8.217 4.545 -1.067 1.00 24.10 H new ATOM 0 HA ILE A 80 -6.326 5.573 0.799 1.00 15.15 H new ATOM 0 HB ILE A 80 -5.569 4.013 -0.821 1.00 71.32 H new ATOM 0 HG12 ILE A 80 -3.695 5.284 -1.879 1.00 52.53 H new ATOM 0 HG13 ILE A 80 -4.498 6.786 -1.465 1.00 52.53 H new ATOM 0 HG21 ILE A 80 -5.520 4.499 -3.225 1.00 53.23 H new ATOM 0 HG22 ILE A 80 -7.181 4.433 -2.588 1.00 53.23 H new ATOM 0 HG23 ILE A 80 -6.421 6.005 -2.930 1.00 53.23 H new ATOM 0 HD11 ILE A 80 -2.744 6.258 0.144 1.00 24.02 H new ATOM 0 HD12 ILE A 80 -4.343 6.226 0.925 1.00 24.02 H new ATOM 0 HD13 ILE A 80 -3.527 4.701 0.505 1.00 24.02 H new ATOM 1208 N GLY A 81 -7.705 7.604 -1.392 1.00 33.44 N ATOM 1209 CA GLY A 81 -7.915 9.013 -1.676 1.00 21.43 C ATOM 1210 C GLY A 81 -8.352 9.776 -0.440 1.00 45.13 C ATOM 1211 O GLY A 81 -7.980 10.933 -0.248 1.00 5.10 O ATOM 0 H GLY A 81 -8.308 6.967 -1.913 1.00 33.44 H new ATOM 0 HA2 GLY A 81 -6.994 9.447 -2.065 1.00 21.43 H new ATOM 0 HA3 GLY A 81 -8.670 9.119 -2.455 1.00 21.43 H new ATOM 1215 N ALA A 82 -9.139 9.112 0.399 1.00 55.30 N ATOM 1216 CA ALA A 82 -9.602 9.686 1.657 1.00 0.44 C ATOM 1217 C ALA A 82 -8.439 9.905 2.626 1.00 64.44 C ATOM 1218 O ALA A 82 -8.462 10.824 3.448 1.00 15.34 O ATOM 1219 CB ALA A 82 -10.657 8.777 2.278 1.00 50.45 C ATOM 0 H ALA A 82 -9.473 8.164 0.227 1.00 55.30 H new ATOM 0 HA ALA A 82 -10.046 10.660 1.452 1.00 0.44 H new ATOM 0 HB1 ALA A 82 -11.001 9.208 3.218 1.00 50.45 H new ATOM 0 HB2 ALA A 82 -11.500 8.678 1.594 1.00 50.45 H new ATOM 0 HB3 ALA A 82 -10.225 7.794 2.466 1.00 50.45 H new ATOM 1225 N TYR A 83 -7.432 9.048 2.535 1.00 71.21 N ATOM 1226 CA TYR A 83 -6.249 9.153 3.383 1.00 60.43 C ATOM 1227 C TYR A 83 -5.192 10.070 2.768 1.00 55.22 C ATOM 1228 O TYR A 83 -4.645 10.940 3.440 1.00 64.21 O ATOM 1229 CB TYR A 83 -5.658 7.756 3.636 1.00 2.34 C ATOM 1230 CG TYR A 83 -4.206 7.770 4.079 1.00 1.00 C ATOM 1231 CD1 TYR A 83 -3.851 8.055 5.395 1.00 50.35 C ATOM 1232 CD2 TYR A 83 -3.187 7.509 3.170 1.00 22.34 C ATOM 1233 CE1 TYR A 83 -2.524 8.079 5.787 1.00 23.14 C ATOM 1234 CE2 TYR A 83 -1.862 7.532 3.554 1.00 41.52 C ATOM 1235 CZ TYR A 83 -1.535 7.818 4.860 1.00 13.31 C ATOM 1236 OH TYR A 83 -0.212 7.856 5.232 1.00 20.15 O ATOM 0 H TYR A 83 -7.409 8.267 1.879 1.00 71.21 H new ATOM 0 HA TYR A 83 -6.556 9.594 4.331 1.00 60.43 H new ATOM 0 HB2 TYR A 83 -6.254 7.253 4.397 1.00 2.34 H new ATOM 0 HB3 TYR A 83 -5.743 7.166 2.723 1.00 2.34 H new ATOM 0 HD1 TYR A 83 -4.623 8.261 6.121 1.00 50.35 H new ATOM 0 HD2 TYR A 83 -3.437 7.284 2.144 1.00 22.34 H new ATOM 0 HE1 TYR A 83 -2.264 8.300 6.812 1.00 23.14 H new ATOM 0 HE2 TYR A 83 -1.085 7.326 2.833 1.00 41.52 H new ATOM 0 HH TYR A 83 -0.065 7.240 5.979 1.00 20.15 H new ATOM 1245 N LEU A 84 -4.909 9.859 1.491 1.00 71.41 N ATOM 1246 CA LEU A 84 -3.800 10.526 0.822 1.00 2.23 C ATOM 1247 C LEU A 84 -4.060 12.017 0.640 1.00 13.44 C ATOM 1248 O LEU A 84 -3.143 12.827 0.754 1.00 55.35 O ATOM 1249 CB LEU A 84 -3.534 9.868 -0.538 1.00 10.24 C ATOM 1250 CG LEU A 84 -2.097 9.388 -0.769 1.00 1.41 C ATOM 1251 CD1 LEU A 84 -1.146 10.568 -0.905 1.00 71.31 C ATOM 1252 CD2 LEU A 84 -1.641 8.489 0.360 1.00 4.32 C ATOM 0 H LEU A 84 -5.437 9.225 0.892 1.00 71.41 H new ATOM 0 HA LEU A 84 -2.920 10.420 1.456 1.00 2.23 H new ATOM 0 HB2 LEU A 84 -4.205 9.016 -0.647 1.00 10.24 H new ATOM 0 HB3 LEU A 84 -3.792 10.579 -1.323 1.00 10.24 H new ATOM 0 HG LEU A 84 -2.084 8.819 -1.698 1.00 1.41 H new ATOM 0 HD11 LEU A 84 -0.133 10.202 -1.068 1.00 71.31 H new ATOM 0 HD12 LEU A 84 -1.450 11.184 -1.751 1.00 71.31 H new ATOM 0 HD13 LEU A 84 -1.174 11.165 0.007 1.00 71.31 H new ATOM 0 HD21 LEU A 84 -0.618 8.161 0.174 1.00 4.32 H new ATOM 0 HD22 LEU A 84 -1.680 9.038 1.301 1.00 4.32 H new ATOM 0 HD23 LEU A 84 -2.296 7.620 0.420 1.00 4.32 H new ATOM 1263 N SER A 85 -5.299 12.375 0.352 1.00 44.12 N ATOM 1264 CA SER A 85 -5.653 13.768 0.144 1.00 13.33 C ATOM 1265 C SER A 85 -6.433 14.306 1.342 1.00 75.31 C ATOM 1266 O SER A 85 -6.691 13.575 2.295 1.00 0.00 O ATOM 1267 CB SER A 85 -6.460 13.910 -1.145 1.00 2.50 C ATOM 1268 OG SER A 85 -5.750 13.356 -2.245 1.00 32.00 O ATOM 0 H SER A 85 -6.076 11.721 0.257 1.00 44.12 H new ATOM 0 HA SER A 85 -4.741 14.357 0.048 1.00 13.33 H new ATOM 0 HB2 SER A 85 -7.421 13.407 -1.036 1.00 2.50 H new ATOM 0 HB3 SER A 85 -6.670 14.963 -1.334 1.00 2.50 H new ATOM 0 HG SER A 85 -6.283 13.455 -3.061 1.00 32.00 H new TER 1273 SER A 85