USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 536 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 37 LYS NZ :NH3+ -169:sc= 0.932 (180deg=0) USER MOD Set 1.2: A 59 GLN : amide:sc= 0.549 K(o=1.5,f=-5.7!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc= -0.0101 (180deg=-0.214) USER MOD Single : A 3 HIS : no HD1:sc=-0.00764 X(o=-0.0076,f=-0.026) USER MOD Single : A 4 HIS : no HD1:sc= -0.584 X(o=-0.58,f=-0.3) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.0092) USER MOD Single : A 6 HIS : no HD1:sc=-0.00128 X(o=-0.0013,f=-0.004) USER MOD Single : A 7 HIS : no HD1:sc= -0.298 X(o=-0.3,f=-0.012) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.0026) USER MOD Single : A 9 SER OG : rot 180:sc= -0.152 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 13 HIS : no HE2:sc= -0.863 X(o=-0.86,f=-0.81) USER MOD Single : A 14 GLN : amide:sc= -1.04 K(o=-1,f=-6.2!) USER MOD Single : A 15 HIS : no HD1:sc= 0.374 K(o=0.38,f=-2.5!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.257 K(o=-0.26,f=-3.1!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.826 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 95:sc= 1.02 USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot -60:sc= 2 USER MOD Single : A 58 HIS : no HD1:sc= -0.101 X(o=-0.1,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.488 X(o=-0.49,f=-0.9) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.27 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.880 8.271 -20.968 1.00 24.41 N ATOM 2 CA MET A 1 -5.778 6.906 -21.553 1.00 22.11 C ATOM 3 C MET A 1 -5.140 5.926 -20.555 1.00 51.23 C ATOM 4 O MET A 1 -5.844 5.155 -19.906 1.00 3.13 O ATOM 5 CB MET A 1 -4.973 6.943 -22.858 1.00 12.02 C ATOM 6 CG MET A 1 -5.568 7.861 -23.921 1.00 22.41 C ATOM 7 SD MET A 1 -4.656 7.813 -25.475 1.00 74.22 S ATOM 8 CE MET A 1 -5.481 9.104 -26.405 1.00 21.40 C ATOM 0 H1 MET A 1 -6.476 8.866 -21.578 1.00 24.41 H new ATOM 0 H2 MET A 1 -6.305 8.212 -20.021 1.00 24.41 H new ATOM 0 H3 MET A 1 -4.931 8.690 -20.896 1.00 24.41 H new ATOM 0 HA MET A 1 -6.786 6.555 -21.774 1.00 22.11 H new ATOM 0 HB2 MET A 1 -3.956 7.268 -22.638 1.00 12.02 H new ATOM 0 HB3 MET A 1 -4.904 5.932 -23.261 1.00 12.02 H new ATOM 0 HG2 MET A 1 -6.604 7.574 -24.104 1.00 22.41 H new ATOM 0 HG3 MET A 1 -5.582 8.884 -23.545 1.00 22.41 H new ATOM 0 HE1 MET A 1 -5.024 9.191 -27.391 1.00 21.40 H new ATOM 0 HE2 MET A 1 -6.537 8.855 -26.515 1.00 21.40 H new ATOM 0 HE3 MET A 1 -5.385 10.052 -25.876 1.00 21.40 H new ATOM 20 N GLY A 2 -3.810 5.964 -20.434 1.00 14.23 N ATOM 21 CA GLY A 2 -3.116 5.176 -19.412 1.00 23.12 C ATOM 22 C GLY A 2 -3.075 3.672 -19.686 1.00 35.50 C ATOM 23 O GLY A 2 -2.025 3.121 -20.024 1.00 51.42 O ATOM 0 H GLY A 2 -3.197 6.526 -21.025 1.00 14.23 H new ATOM 0 HA2 GLY A 2 -2.094 5.543 -19.321 1.00 23.12 H new ATOM 0 HA3 GLY A 2 -3.602 5.344 -18.451 1.00 23.12 H new ATOM 27 N HIS A 3 -4.212 3.001 -19.519 1.00 73.04 N ATOM 28 CA HIS A 3 -4.275 1.541 -19.654 1.00 3.00 C ATOM 29 C HIS A 3 -4.009 1.093 -21.100 1.00 24.14 C ATOM 30 O HIS A 3 -4.895 1.161 -21.951 1.00 74.13 O ATOM 31 CB HIS A 3 -5.640 1.012 -19.198 1.00 3.43 C ATOM 32 CG HIS A 3 -6.045 1.468 -17.831 1.00 23.03 C ATOM 33 ND1 HIS A 3 -7.238 2.104 -17.587 1.00 33.31 N ATOM 34 CD2 HIS A 3 -5.424 1.368 -16.630 1.00 33.21 C ATOM 35 CE1 HIS A 3 -7.341 2.376 -16.306 1.00 22.01 C ATOM 36 NE2 HIS A 3 -6.254 1.942 -15.698 1.00 63.33 N ATOM 0 H HIS A 3 -5.103 3.441 -19.290 1.00 73.04 H new ATOM 0 HA HIS A 3 -3.495 1.126 -19.016 1.00 3.00 H new ATOM 0 HB2 HIS A 3 -6.398 1.328 -19.914 1.00 3.43 H new ATOM 0 HB3 HIS A 3 -5.620 -0.078 -19.215 1.00 3.43 H new ATOM 0 HD2 HIS A 3 -4.459 0.921 -16.442 1.00 33.21 H new ATOM 0 HE1 HIS A 3 -8.175 2.871 -15.831 1.00 22.01 H new ATOM 0 HE2 HIS A 3 -6.061 2.020 -14.699 1.00 63.33 H new ATOM 45 N HIS A 4 -2.786 0.645 -21.375 1.00 34.24 N ATOM 46 CA HIS A 4 -2.437 0.127 -22.705 1.00 11.34 C ATOM 47 C HIS A 4 -1.870 -1.301 -22.620 1.00 72.54 C ATOM 48 O HIS A 4 -0.843 -1.546 -21.979 1.00 74.53 O ATOM 49 CB HIS A 4 -1.452 1.063 -23.427 1.00 43.15 C ATOM 50 CG HIS A 4 -0.113 1.207 -22.763 1.00 14.51 C ATOM 51 ND1 HIS A 4 0.984 0.445 -23.107 1.00 33.41 N ATOM 52 CD2 HIS A 4 0.310 2.044 -21.786 1.00 74.33 C ATOM 53 CE1 HIS A 4 2.016 0.808 -22.373 1.00 34.23 C ATOM 54 NE2 HIS A 4 1.636 1.773 -21.568 1.00 63.51 N ATOM 0 H HIS A 4 -2.020 0.628 -20.701 1.00 34.24 H new ATOM 0 HA HIS A 4 -3.356 0.088 -23.290 1.00 11.34 H new ATOM 0 HB2 HIS A 4 -1.300 0.694 -24.441 1.00 43.15 H new ATOM 0 HB3 HIS A 4 -1.907 2.050 -23.512 1.00 43.15 H new ATOM 0 HD2 HIS A 4 -0.286 2.786 -21.275 1.00 74.33 H new ATOM 0 HE1 HIS A 4 3.008 0.383 -22.425 1.00 34.23 H new ATOM 0 HE2 HIS A 4 2.232 2.246 -20.889 1.00 63.51 H new ATOM 63 N HIS A 5 -2.566 -2.237 -23.263 1.00 52.15 N ATOM 64 CA HIS A 5 -2.140 -3.643 -23.329 1.00 34.12 C ATOM 65 C HIS A 5 -2.274 -4.189 -24.761 1.00 53.13 C ATOM 66 O HIS A 5 -3.012 -3.637 -25.581 1.00 54.23 O ATOM 67 CB HIS A 5 -2.965 -4.508 -22.351 1.00 31.32 C ATOM 68 CG HIS A 5 -2.204 -4.960 -21.139 1.00 1.14 C ATOM 69 ND1 HIS A 5 -2.496 -4.543 -19.857 1.00 61.13 N ATOM 70 CD2 HIS A 5 -1.170 -5.825 -21.019 1.00 55.53 C ATOM 71 CE1 HIS A 5 -1.676 -5.131 -19.007 1.00 23.22 C ATOM 72 NE2 HIS A 5 -0.865 -5.912 -19.685 1.00 74.42 N ATOM 0 H HIS A 5 -3.440 -2.048 -23.754 1.00 52.15 H new ATOM 0 HA HIS A 5 -1.091 -3.690 -23.038 1.00 34.12 H new ATOM 0 HB2 HIS A 5 -3.837 -3.940 -22.028 1.00 31.32 H new ATOM 0 HB3 HIS A 5 -3.335 -5.385 -22.882 1.00 31.32 H new ATOM 0 HD2 HIS A 5 -0.677 -6.349 -21.824 1.00 55.53 H new ATOM 0 HE1 HIS A 5 -1.672 -4.994 -17.936 1.00 23.22 H new ATOM 0 HE2 HIS A 5 -0.127 -6.490 -19.283 1.00 74.42 H new ATOM 81 N HIS A 6 -1.558 -5.273 -25.054 1.00 43.01 N ATOM 82 CA HIS A 6 -1.611 -5.901 -26.382 1.00 63.25 C ATOM 83 C HIS A 6 -2.976 -6.568 -26.628 1.00 51.03 C ATOM 84 O HIS A 6 -3.792 -6.062 -27.399 1.00 60.44 O ATOM 85 CB HIS A 6 -0.470 -6.921 -26.535 1.00 11.12 C ATOM 86 CG HIS A 6 0.884 -6.343 -26.244 1.00 41.42 C ATOM 87 ND1 HIS A 6 1.669 -6.756 -25.191 1.00 55.01 N ATOM 88 CD2 HIS A 6 1.591 -5.372 -26.875 1.00 52.21 C ATOM 89 CE1 HIS A 6 2.791 -6.064 -25.182 1.00 52.32 C ATOM 90 NE2 HIS A 6 2.772 -5.220 -26.192 1.00 32.44 N ATOM 0 H HIS A 6 -0.934 -5.737 -24.394 1.00 43.01 H new ATOM 0 HA HIS A 6 -1.484 -5.121 -27.133 1.00 63.25 H new ATOM 0 HB2 HIS A 6 -0.651 -7.761 -25.865 1.00 11.12 H new ATOM 0 HB3 HIS A 6 -0.478 -7.316 -27.551 1.00 11.12 H new ATOM 0 HD2 HIS A 6 1.282 -4.821 -27.751 1.00 52.21 H new ATOM 0 HE1 HIS A 6 3.592 -6.172 -24.466 1.00 52.32 H new ATOM 0 HE2 HIS A 6 3.514 -4.561 -26.428 1.00 32.44 H new ATOM 99 N HIS A 7 -3.229 -7.700 -25.969 1.00 41.14 N ATOM 100 CA HIS A 7 -4.541 -8.362 -26.066 1.00 35.02 C ATOM 101 C HIS A 7 -5.440 -7.953 -24.885 1.00 62.23 C ATOM 102 O HIS A 7 -5.033 -8.018 -23.723 1.00 43.21 O ATOM 103 CB HIS A 7 -4.397 -9.894 -26.158 1.00 72.12 C ATOM 104 CG HIS A 7 -3.642 -10.534 -25.026 1.00 4.32 C ATOM 105 ND1 HIS A 7 -4.260 -11.232 -24.012 1.00 65.20 N ATOM 106 CD2 HIS A 7 -2.313 -10.608 -24.767 1.00 5.12 C ATOM 107 CE1 HIS A 7 -3.351 -11.704 -23.184 1.00 25.15 C ATOM 108 NE2 HIS A 7 -2.163 -11.342 -23.617 1.00 71.42 N ATOM 0 H HIS A 7 -2.556 -8.176 -25.369 1.00 41.14 H new ATOM 0 HA HIS A 7 -5.018 -8.030 -26.988 1.00 35.02 H new ATOM 0 HB2 HIS A 7 -5.393 -10.335 -26.205 1.00 72.12 H new ATOM 0 HB3 HIS A 7 -3.895 -10.140 -27.094 1.00 72.12 H new ATOM 0 HD2 HIS A 7 -1.520 -10.171 -25.356 1.00 5.12 H new ATOM 0 HE1 HIS A 7 -3.548 -12.290 -22.298 1.00 25.15 H new ATOM 0 HE2 HIS A 7 -1.275 -11.570 -23.171 1.00 71.42 H new ATOM 117 N HIS A 8 -6.667 -7.536 -25.196 1.00 51.43 N ATOM 118 CA HIS A 8 -7.549 -6.882 -24.217 1.00 33.31 C ATOM 119 C HIS A 8 -8.598 -7.848 -23.645 1.00 4.52 C ATOM 120 O HIS A 8 -9.383 -8.426 -24.396 1.00 31.34 O ATOM 121 CB HIS A 8 -8.265 -5.701 -24.889 1.00 12.30 C ATOM 122 CG HIS A 8 -7.366 -4.873 -25.755 1.00 25.02 C ATOM 123 ND1 HIS A 8 -7.286 -5.033 -27.121 1.00 25.44 N ATOM 124 CD2 HIS A 8 -6.498 -3.880 -25.449 1.00 41.44 C ATOM 125 CE1 HIS A 8 -6.415 -4.183 -27.617 1.00 1.44 C ATOM 126 NE2 HIS A 8 -5.924 -3.472 -26.626 1.00 11.23 N ATOM 0 H HIS A 8 -7.079 -7.638 -26.123 1.00 51.43 H new ATOM 0 HA HIS A 8 -6.928 -6.538 -23.390 1.00 33.31 H new ATOM 0 HB2 HIS A 8 -9.089 -6.082 -25.493 1.00 12.30 H new ATOM 0 HB3 HIS A 8 -8.702 -5.065 -24.119 1.00 12.30 H new ATOM 0 HD2 HIS A 8 -6.296 -3.484 -24.465 1.00 41.44 H new ATOM 0 HE1 HIS A 8 -6.148 -4.085 -28.659 1.00 1.44 H new ATOM 0 HE2 HIS A 8 -5.226 -2.734 -26.718 1.00 11.23 H new ATOM 135 N SER A 9 -8.609 -8.009 -22.316 1.00 34.11 N ATOM 136 CA SER A 9 -9.643 -8.813 -21.640 1.00 71.02 C ATOM 137 C SER A 9 -9.503 -8.768 -20.110 1.00 4.24 C ATOM 138 O SER A 9 -8.453 -8.411 -19.572 1.00 45.12 O ATOM 139 CB SER A 9 -9.607 -10.277 -22.106 1.00 15.40 C ATOM 140 OG SER A 9 -10.638 -11.034 -21.491 1.00 31.05 O ATOM 0 H SER A 9 -7.919 -7.597 -21.688 1.00 34.11 H new ATOM 0 HA SER A 9 -10.600 -8.370 -21.914 1.00 71.02 H new ATOM 0 HB2 SER A 9 -9.717 -10.320 -23.190 1.00 15.40 H new ATOM 0 HB3 SER A 9 -8.638 -10.715 -21.866 1.00 15.40 H new ATOM 0 HG SER A 9 -10.595 -11.961 -21.805 1.00 31.05 H new ATOM 146 N HIS A 10 -10.588 -9.119 -19.424 1.00 52.34 N ATOM 147 CA HIS A 10 -10.599 -9.262 -17.963 1.00 32.00 C ATOM 148 C HIS A 10 -11.311 -10.567 -17.580 1.00 25.52 C ATOM 149 O HIS A 10 -12.536 -10.612 -17.484 1.00 31.14 O ATOM 150 CB HIS A 10 -11.302 -8.069 -17.287 1.00 62.11 C ATOM 151 CG HIS A 10 -10.558 -6.766 -17.386 1.00 2.14 C ATOM 152 ND1 HIS A 10 -9.427 -6.484 -16.649 1.00 55.31 N ATOM 153 CD2 HIS A 10 -10.802 -5.654 -18.123 1.00 60.44 C ATOM 154 CE1 HIS A 10 -9.011 -5.265 -16.927 1.00 60.50 C ATOM 155 NE2 HIS A 10 -9.825 -4.735 -17.816 1.00 11.44 N ATOM 0 H HIS A 10 -11.488 -9.314 -19.863 1.00 52.34 H new ATOM 0 HA HIS A 10 -9.566 -9.286 -17.615 1.00 32.00 H new ATOM 0 HB2 HIS A 10 -12.288 -7.944 -17.734 1.00 62.11 H new ATOM 0 HB3 HIS A 10 -11.457 -8.305 -16.234 1.00 62.11 H new ATOM 0 HD2 HIS A 10 -11.614 -5.515 -18.822 1.00 60.44 H new ATOM 0 HE1 HIS A 10 -8.146 -4.781 -16.497 1.00 60.50 H new ATOM 0 HE2 HIS A 10 -9.745 -3.798 -18.212 1.00 11.44 H new ATOM 164 N MET A 11 -10.541 -11.633 -17.390 1.00 13.41 N ATOM 165 CA MET A 11 -11.102 -12.954 -17.094 1.00 24.43 C ATOM 166 C MET A 11 -11.841 -12.959 -15.741 1.00 23.04 C ATOM 167 O MET A 11 -11.229 -13.147 -14.685 1.00 73.01 O ATOM 168 CB MET A 11 -9.988 -14.014 -17.096 1.00 43.45 C ATOM 169 CG MET A 11 -9.145 -14.027 -18.368 1.00 20.32 C ATOM 170 SD MET A 11 -8.179 -12.515 -18.580 1.00 62.31 S ATOM 171 CE MET A 11 -7.354 -12.841 -20.135 1.00 42.22 C ATOM 0 H MET A 11 -9.522 -11.611 -17.435 1.00 13.41 H new ATOM 0 HA MET A 11 -11.826 -13.195 -17.872 1.00 24.43 H new ATOM 0 HB2 MET A 11 -9.334 -13.841 -16.241 1.00 43.45 H new ATOM 0 HB3 MET A 11 -10.437 -14.998 -16.960 1.00 43.45 H new ATOM 0 HG2 MET A 11 -8.471 -14.883 -18.344 1.00 20.32 H new ATOM 0 HG3 MET A 11 -9.798 -14.160 -19.230 1.00 20.32 H new ATOM 0 HE1 MET A 11 -6.721 -11.993 -20.396 1.00 42.22 H new ATOM 0 HE2 MET A 11 -6.740 -13.737 -20.040 1.00 42.22 H new ATOM 0 HE3 MET A 11 -8.098 -12.992 -20.917 1.00 42.22 H new ATOM 181 N ASN A 12 -13.157 -12.751 -15.782 1.00 54.15 N ATOM 182 CA ASN A 12 -13.974 -12.646 -14.565 1.00 51.52 C ATOM 183 C ASN A 12 -13.986 -13.954 -13.751 1.00 62.54 C ATOM 184 O ASN A 12 -14.835 -14.828 -13.951 1.00 54.52 O ATOM 185 CB ASN A 12 -15.407 -12.226 -14.916 1.00 33.52 C ATOM 186 CG ASN A 12 -15.467 -10.860 -15.581 1.00 43.21 C ATOM 187 OD1 ASN A 12 -15.395 -10.745 -16.796 1.00 64.33 O ATOM 188 ND2 ASN A 12 -15.605 -9.812 -14.791 1.00 30.42 N ATOM 0 H ASN A 12 -13.686 -12.651 -16.648 1.00 54.15 H new ATOM 0 HA ASN A 12 -13.517 -11.880 -13.939 1.00 51.52 H new ATOM 0 HB2 ASN A 12 -15.848 -12.969 -15.580 1.00 33.52 H new ATOM 0 HB3 ASN A 12 -16.011 -12.212 -14.008 1.00 33.52 H new ATOM 0 HD21 ASN A 12 -15.654 -8.875 -15.191 1.00 30.42 H new ATOM 0 HD22 ASN A 12 -15.662 -9.939 -13.781 1.00 30.42 H new ATOM 195 N HIS A 13 -13.012 -14.085 -12.854 1.00 14.13 N ATOM 196 CA HIS A 13 -12.956 -15.196 -11.897 1.00 71.13 C ATOM 197 C HIS A 13 -12.769 -14.644 -10.480 1.00 43.21 C ATOM 198 O HIS A 13 -12.101 -13.622 -10.298 1.00 31.33 O ATOM 199 CB HIS A 13 -11.811 -16.158 -12.245 1.00 32.34 C ATOM 200 CG HIS A 13 -11.926 -16.765 -13.608 1.00 11.51 C ATOM 201 ND1 HIS A 13 -11.350 -16.208 -14.726 1.00 10.43 N ATOM 202 CD2 HIS A 13 -12.546 -17.894 -14.033 1.00 4.12 C ATOM 203 CE1 HIS A 13 -11.613 -16.959 -15.776 1.00 61.25 C ATOM 204 NE2 HIS A 13 -12.332 -17.987 -15.387 1.00 32.41 N ATOM 0 H HIS A 13 -12.238 -13.426 -12.767 1.00 14.13 H new ATOM 0 HA HIS A 13 -13.893 -15.750 -11.949 1.00 71.13 H new ATOM 0 HB2 HIS A 13 -10.864 -15.622 -12.175 1.00 32.34 H new ATOM 0 HB3 HIS A 13 -11.781 -16.956 -11.503 1.00 32.34 H new ATOM 0 HD1 HIS A 13 -10.804 -15.347 -14.740 1.00 10.43 H new ATOM 0 HD2 HIS A 13 -13.103 -18.589 -13.422 1.00 4.12 H new ATOM 0 HE1 HIS A 13 -11.291 -16.762 -16.788 1.00 61.25 H new ATOM 213 N GLN A 14 -13.345 -15.306 -9.481 1.00 71.33 N ATOM 214 CA GLN A 14 -13.329 -14.779 -8.113 1.00 64.45 C ATOM 215 C GLN A 14 -11.907 -14.682 -7.533 1.00 55.54 C ATOM 216 O GLN A 14 -11.358 -15.654 -7.011 1.00 75.44 O ATOM 217 CB GLN A 14 -14.223 -15.615 -7.179 1.00 53.31 C ATOM 218 CG GLN A 14 -14.141 -15.203 -5.704 1.00 61.14 C ATOM 219 CD GLN A 14 -14.603 -13.773 -5.426 1.00 3.13 C ATOM 220 OE1 GLN A 14 -14.527 -12.891 -6.275 1.00 22.41 O ATOM 221 NE2 GLN A 14 -15.056 -13.522 -4.213 1.00 71.24 N ATOM 0 H GLN A 14 -13.825 -16.200 -9.587 1.00 71.33 H new ATOM 0 HA GLN A 14 -13.730 -13.767 -8.174 1.00 64.45 H new ATOM 0 HB2 GLN A 14 -15.257 -15.531 -7.512 1.00 53.31 H new ATOM 0 HB3 GLN A 14 -13.943 -16.665 -7.269 1.00 53.31 H new ATOM 0 HG2 GLN A 14 -14.746 -15.890 -5.112 1.00 61.14 H new ATOM 0 HG3 GLN A 14 -13.111 -15.313 -5.365 1.00 61.14 H new ATOM 0 HE21 GLN A 14 -15.110 -14.272 -3.524 1.00 71.24 H new ATOM 0 HE22 GLN A 14 -15.352 -12.578 -3.964 1.00 71.24 H new ATOM 230 N HIS A 15 -11.311 -13.500 -7.656 1.00 71.44 N ATOM 231 CA HIS A 15 -10.082 -13.169 -6.940 1.00 35.43 C ATOM 232 C HIS A 15 -10.432 -12.399 -5.661 1.00 50.15 C ATOM 233 O HIS A 15 -10.555 -11.173 -5.678 1.00 14.22 O ATOM 234 CB HIS A 15 -9.141 -12.337 -7.826 1.00 12.20 C ATOM 235 CG HIS A 15 -7.893 -11.887 -7.124 1.00 64.13 C ATOM 236 ND1 HIS A 15 -7.807 -10.703 -6.424 1.00 53.43 N ATOM 237 CD2 HIS A 15 -6.677 -12.474 -7.010 1.00 54.52 C ATOM 238 CE1 HIS A 15 -6.600 -10.577 -5.915 1.00 60.52 C ATOM 239 NE2 HIS A 15 -5.896 -11.636 -6.254 1.00 45.41 N ATOM 0 H HIS A 15 -11.663 -12.749 -8.250 1.00 71.44 H new ATOM 0 HA HIS A 15 -9.565 -14.092 -6.677 1.00 35.43 H new ATOM 0 HB2 HIS A 15 -8.863 -12.926 -8.700 1.00 12.20 H new ATOM 0 HB3 HIS A 15 -9.679 -11.461 -8.190 1.00 12.20 H new ATOM 0 HD2 HIS A 15 -6.379 -13.422 -7.434 1.00 54.52 H new ATOM 0 HE1 HIS A 15 -6.248 -9.747 -5.321 1.00 60.52 H new ATOM 0 HE2 HIS A 15 -4.924 -11.807 -5.996 1.00 45.41 H new ATOM 248 N GLU A 16 -10.624 -13.128 -4.566 1.00 34.14 N ATOM 249 CA GLU A 16 -11.053 -12.533 -3.297 1.00 21.02 C ATOM 250 C GLU A 16 -10.140 -11.369 -2.885 1.00 54.52 C ATOM 251 O GLU A 16 -8.920 -11.528 -2.792 1.00 2.45 O ATOM 252 CB GLU A 16 -11.077 -13.601 -2.195 1.00 20.11 C ATOM 253 CG GLU A 16 -11.552 -13.084 -0.840 1.00 30.40 C ATOM 254 CD GLU A 16 -11.577 -14.172 0.221 1.00 22.11 C ATOM 255 OE1 GLU A 16 -12.531 -14.985 0.226 1.00 52.51 O ATOM 256 OE2 GLU A 16 -10.642 -14.234 1.046 1.00 31.35 O ATOM 0 H GLU A 16 -10.489 -14.138 -4.529 1.00 34.14 H new ATOM 0 HA GLU A 16 -12.059 -12.136 -3.436 1.00 21.02 H new ATOM 0 HB2 GLU A 16 -11.727 -14.418 -2.509 1.00 20.11 H new ATOM 0 HB3 GLU A 16 -10.075 -14.016 -2.083 1.00 20.11 H new ATOM 0 HG2 GLU A 16 -10.897 -12.277 -0.513 1.00 30.40 H new ATOM 0 HG3 GLU A 16 -12.551 -12.661 -0.946 1.00 30.40 H new ATOM 263 N ALA A 17 -10.735 -10.197 -2.658 1.00 34.22 N ATOM 264 CA ALA A 17 -9.977 -9.015 -2.253 1.00 3.41 C ATOM 265 C ALA A 17 -9.243 -9.263 -0.927 1.00 32.51 C ATOM 266 O ALA A 17 -9.865 -9.368 0.132 1.00 3.32 O ATOM 267 CB ALA A 17 -10.907 -7.809 -2.141 1.00 24.45 C ATOM 0 H ALA A 17 -11.739 -10.042 -2.748 1.00 34.22 H new ATOM 0 HA ALA A 17 -9.226 -8.806 -3.015 1.00 3.41 H new ATOM 0 HB1 ALA A 17 -10.333 -6.933 -1.839 1.00 24.45 H new ATOM 0 HB2 ALA A 17 -11.375 -7.620 -3.107 1.00 24.45 H new ATOM 0 HB3 ALA A 17 -11.678 -8.012 -1.397 1.00 24.45 H new ATOM 273 N ARG A 18 -7.919 -9.347 -0.991 1.00 62.34 N ATOM 274 CA ARG A 18 -7.099 -9.639 0.188 1.00 64.43 C ATOM 275 C ARG A 18 -6.586 -8.346 0.844 1.00 21.54 C ATOM 276 O ARG A 18 -6.300 -7.357 0.162 1.00 73.34 O ATOM 277 CB ARG A 18 -5.939 -10.570 -0.200 1.00 34.45 C ATOM 278 CG ARG A 18 -5.120 -10.080 -1.386 1.00 32.31 C ATOM 279 CD ARG A 18 -4.028 -11.068 -1.782 1.00 71.24 C ATOM 280 NE ARG A 18 -3.020 -11.226 -0.739 1.00 62.44 N ATOM 281 CZ ARG A 18 -1.808 -11.658 -0.949 1.00 22.31 C ATOM 282 NH1 ARG A 18 -1.416 -11.972 -2.145 1.00 63.12 N ATOM 283 NH2 ARG A 18 -0.984 -11.768 0.040 1.00 13.04 N ATOM 0 H ARG A 18 -7.384 -9.217 -1.850 1.00 62.34 H new ATOM 0 HA ARG A 18 -7.718 -10.148 0.927 1.00 64.43 H new ATOM 0 HB2 ARG A 18 -5.279 -10.689 0.659 1.00 34.45 H new ATOM 0 HB3 ARG A 18 -6.341 -11.556 -0.432 1.00 34.45 H new ATOM 0 HG2 ARG A 18 -5.781 -9.912 -2.236 1.00 32.31 H new ATOM 0 HG3 ARG A 18 -4.667 -9.120 -1.140 1.00 32.31 H new ATOM 0 HD2 ARG A 18 -4.479 -12.037 -1.999 1.00 71.24 H new ATOM 0 HD3 ARG A 18 -3.548 -10.727 -2.699 1.00 71.24 H new ATOM 0 HE ARG A 18 -3.281 -10.983 0.217 1.00 62.44 H new ATOM 0 HH11 ARG A 18 -2.058 -11.882 -2.932 1.00 63.12 H new ATOM 0 HH12 ARG A 18 -0.466 -12.309 -2.298 1.00 63.12 H new ATOM 0 HH21 ARG A 18 -1.282 -11.517 0.983 1.00 13.04 H new ATOM 0 HH22 ARG A 18 -0.035 -12.106 -0.122 1.00 13.04 H new ATOM 297 N LYS A 19 -6.468 -8.363 2.170 1.00 21.22 N ATOM 298 CA LYS A 19 -6.164 -7.152 2.941 1.00 3.14 C ATOM 299 C LYS A 19 -4.864 -7.288 3.752 1.00 74.34 C ATOM 300 O LYS A 19 -4.541 -8.360 4.266 1.00 60.32 O ATOM 301 CB LYS A 19 -7.328 -6.841 3.894 1.00 22.31 C ATOM 302 CG LYS A 19 -8.679 -6.684 3.197 1.00 22.41 C ATOM 303 CD LYS A 19 -9.817 -6.513 4.198 1.00 42.40 C ATOM 304 CE LYS A 19 -11.168 -6.395 3.502 1.00 74.43 C ATOM 305 NZ LYS A 19 -12.292 -6.319 4.470 1.00 54.10 N ATOM 0 H LYS A 19 -6.578 -9.203 2.738 1.00 21.22 H new ATOM 0 HA LYS A 19 -6.027 -6.338 2.229 1.00 3.14 H new ATOM 0 HB2 LYS A 19 -7.403 -7.639 4.632 1.00 22.31 H new ATOM 0 HB3 LYS A 19 -7.103 -5.924 4.438 1.00 22.31 H new ATOM 0 HG2 LYS A 19 -8.647 -5.821 2.532 1.00 22.41 H new ATOM 0 HG3 LYS A 19 -8.871 -7.558 2.575 1.00 22.41 H new ATOM 0 HD2 LYS A 19 -9.832 -7.363 4.880 1.00 42.40 H new ATOM 0 HD3 LYS A 19 -9.640 -5.623 4.802 1.00 42.40 H new ATOM 0 HE2 LYS A 19 -11.173 -5.506 2.871 1.00 74.43 H new ATOM 0 HE3 LYS A 19 -11.313 -7.253 2.846 1.00 74.43 H new ATOM 0 HZ1 LYS A 19 -13.191 -6.240 3.953 1.00 54.10 H new ATOM 0 HZ2 LYS A 19 -12.304 -7.178 5.056 1.00 54.10 H new ATOM 0 HZ3 LYS A 19 -12.169 -5.486 5.080 1.00 54.10 H new ATOM 319 N VAL A 20 -4.120 -6.190 3.842 1.00 51.44 N ATOM 320 CA VAL A 20 -2.925 -6.102 4.693 1.00 40.31 C ATOM 321 C VAL A 20 -2.949 -4.801 5.515 1.00 34.22 C ATOM 322 O VAL A 20 -3.395 -3.760 5.032 1.00 41.15 O ATOM 323 CB VAL A 20 -1.614 -6.165 3.860 1.00 62.31 C ATOM 324 CG1 VAL A 20 -1.414 -7.556 3.256 1.00 15.10 C ATOM 325 CG2 VAL A 20 -1.612 -5.094 2.769 1.00 45.21 C ATOM 0 H VAL A 20 -4.324 -5.332 3.329 1.00 51.44 H new ATOM 0 HA VAL A 20 -2.942 -6.961 5.363 1.00 40.31 H new ATOM 0 HB VAL A 20 -0.779 -5.967 4.532 1.00 62.31 H new ATOM 0 HG11 VAL A 20 -0.490 -7.572 2.678 1.00 15.10 H new ATOM 0 HG12 VAL A 20 -1.356 -8.295 4.055 1.00 15.10 H new ATOM 0 HG13 VAL A 20 -2.254 -7.793 2.603 1.00 15.10 H new ATOM 0 HG21 VAL A 20 -0.685 -5.157 2.199 1.00 45.21 H new ATOM 0 HG22 VAL A 20 -2.460 -5.252 2.102 1.00 45.21 H new ATOM 0 HG23 VAL A 20 -1.690 -4.108 3.227 1.00 45.21 H new ATOM 335 N ARG A 21 -2.475 -4.860 6.754 1.00 33.25 N ATOM 336 CA ARG A 21 -2.518 -3.699 7.653 1.00 51.43 C ATOM 337 C ARG A 21 -1.184 -2.939 7.660 1.00 71.02 C ATOM 338 O ARG A 21 -0.109 -3.537 7.774 1.00 71.42 O ATOM 339 CB ARG A 21 -2.880 -4.147 9.076 1.00 65.15 C ATOM 340 CG ARG A 21 -3.140 -2.989 10.038 1.00 15.21 C ATOM 341 CD ARG A 21 -3.560 -3.487 11.418 1.00 74.33 C ATOM 342 NE ARG A 21 -3.942 -2.395 12.315 1.00 13.54 N ATOM 343 CZ ARG A 21 -4.671 -2.554 13.389 1.00 42.12 C ATOM 344 NH1 ARG A 21 -5.077 -3.734 13.741 1.00 33.12 N ATOM 345 NH2 ARG A 21 -4.980 -1.533 14.119 1.00 51.21 N ATOM 0 H ARG A 21 -2.056 -5.695 7.164 1.00 33.25 H new ATOM 0 HA ARG A 21 -3.285 -3.019 7.283 1.00 51.43 H new ATOM 0 HB2 ARG A 21 -3.767 -4.779 9.034 1.00 65.15 H new ATOM 0 HB3 ARG A 21 -2.070 -4.761 9.471 1.00 65.15 H new ATOM 0 HG2 ARG A 21 -2.239 -2.382 10.129 1.00 15.21 H new ATOM 0 HG3 ARG A 21 -3.919 -2.345 9.631 1.00 15.21 H new ATOM 0 HD2 ARG A 21 -4.398 -4.176 11.313 1.00 74.33 H new ATOM 0 HD3 ARG A 21 -2.739 -4.049 11.864 1.00 74.33 H new ATOM 0 HE ARG A 21 -3.620 -1.454 12.089 1.00 13.54 H new ATOM 0 HH11 ARG A 21 -4.828 -4.548 13.179 1.00 33.12 H new ATOM 0 HH12 ARG A 21 -5.645 -3.849 14.580 1.00 33.12 H new ATOM 0 HH21 ARG A 21 -4.655 -0.602 13.858 1.00 51.21 H new ATOM 0 HH22 ARG A 21 -5.549 -1.658 14.956 1.00 51.21 H new ATOM 359 N ALA A 22 -1.256 -1.616 7.529 1.00 70.34 N ATOM 360 CA ALA A 22 -0.057 -0.772 7.577 1.00 42.41 C ATOM 361 C ALA A 22 0.418 -0.567 9.023 1.00 71.32 C ATOM 362 O ALA A 22 -0.320 -0.036 9.861 1.00 33.33 O ATOM 363 CB ALA A 22 -0.334 0.577 6.923 1.00 14.43 C ATOM 0 H ALA A 22 -2.127 -1.104 7.389 1.00 70.34 H new ATOM 0 HA ALA A 22 0.734 -1.280 7.026 1.00 42.41 H new ATOM 0 HB1 ALA A 22 0.564 1.193 6.966 1.00 14.43 H new ATOM 0 HB2 ALA A 22 -0.621 0.425 5.882 1.00 14.43 H new ATOM 0 HB3 ALA A 22 -1.144 1.079 7.453 1.00 14.43 H new ATOM 369 N ILE A 23 1.653 -0.984 9.310 1.00 74.35 N ATOM 370 CA ILE A 23 2.242 -0.806 10.646 1.00 61.14 C ATOM 371 C ILE A 23 3.039 0.503 10.738 1.00 21.22 C ATOM 372 O ILE A 23 3.235 1.045 11.828 1.00 64.44 O ATOM 373 CB ILE A 23 3.162 -1.995 11.034 1.00 0.22 C ATOM 374 CG1 ILE A 23 4.232 -2.237 9.951 1.00 11.43 C ATOM 375 CG2 ILE A 23 2.330 -3.258 11.264 1.00 10.43 C ATOM 376 CD1 ILE A 23 5.184 -3.377 10.262 1.00 61.33 C ATOM 0 H ILE A 23 2.266 -1.447 8.639 1.00 74.35 H new ATOM 0 HA ILE A 23 1.409 -0.766 11.347 1.00 61.14 H new ATOM 0 HB ILE A 23 3.674 -1.744 11.963 1.00 0.22 H new ATOM 0 HG12 ILE A 23 3.734 -2.442 9.003 1.00 11.43 H new ATOM 0 HG13 ILE A 23 4.810 -1.323 9.816 1.00 11.43 H new ATOM 0 HG21 ILE A 23 2.989 -4.083 11.535 1.00 10.43 H new ATOM 0 HG22 ILE A 23 1.617 -3.082 12.070 1.00 10.43 H new ATOM 0 HG23 ILE A 23 1.790 -3.510 10.351 1.00 10.43 H new ATOM 0 HD11 ILE A 23 5.905 -3.481 9.451 1.00 61.33 H new ATOM 0 HD12 ILE A 23 5.712 -3.167 11.192 1.00 61.33 H new ATOM 0 HD13 ILE A 23 4.620 -4.304 10.367 1.00 61.33 H new ATOM 388 N TYR A 24 3.497 1.004 9.590 1.00 72.11 N ATOM 389 CA TYR A 24 4.220 2.283 9.522 1.00 72.21 C ATOM 390 C TYR A 24 3.682 3.161 8.379 1.00 53.41 C ATOM 391 O TYR A 24 2.882 2.707 7.559 1.00 23.21 O ATOM 392 CB TYR A 24 5.728 2.046 9.346 1.00 32.05 C ATOM 393 CG TYR A 24 6.362 1.284 10.495 1.00 73.20 C ATOM 394 CD1 TYR A 24 6.269 1.754 11.801 1.00 61.24 C ATOM 395 CD2 TYR A 24 7.044 0.090 10.277 1.00 21.31 C ATOM 396 CE1 TYR A 24 6.835 1.059 12.852 1.00 73.45 C ATOM 397 CE2 TYR A 24 7.612 -0.610 11.324 1.00 31.45 C ATOM 398 CZ TYR A 24 7.505 -0.120 12.610 1.00 25.12 C ATOM 399 OH TYR A 24 8.071 -0.816 13.658 1.00 74.43 O ATOM 0 H TYR A 24 3.381 0.543 8.687 1.00 72.11 H new ATOM 0 HA TYR A 24 4.058 2.809 10.463 1.00 72.21 H new ATOM 0 HB2 TYR A 24 5.895 1.496 8.420 1.00 32.05 H new ATOM 0 HB3 TYR A 24 6.228 3.008 9.239 1.00 32.05 H new ATOM 0 HD1 TYR A 24 5.745 2.678 11.997 1.00 61.24 H new ATOM 0 HD2 TYR A 24 7.131 -0.296 9.272 1.00 21.31 H new ATOM 0 HE1 TYR A 24 6.753 1.439 13.860 1.00 73.45 H new ATOM 0 HE2 TYR A 24 8.137 -1.535 11.137 1.00 31.45 H new ATOM 0 HH TYR A 24 8.505 -1.626 13.317 1.00 74.43 H new ATOM 409 N ASP A 25 4.124 4.418 8.331 1.00 3.35 N ATOM 410 CA ASP A 25 3.625 5.384 7.342 1.00 44.42 C ATOM 411 C ASP A 25 4.624 5.612 6.192 1.00 20.15 C ATOM 412 O ASP A 25 5.829 5.378 6.337 1.00 74.14 O ATOM 413 CB ASP A 25 3.300 6.710 8.038 1.00 14.40 C ATOM 414 CG ASP A 25 4.498 7.325 8.741 1.00 55.24 C ATOM 415 OD1 ASP A 25 5.106 6.651 9.598 1.00 53.33 O ATOM 416 OD2 ASP A 25 4.815 8.500 8.469 1.00 11.31 O ATOM 0 H ASP A 25 4.828 4.795 8.965 1.00 3.35 H new ATOM 0 HA ASP A 25 2.720 4.969 6.898 1.00 44.42 H new ATOM 0 HB2 ASP A 25 2.917 7.416 7.301 1.00 14.40 H new ATOM 0 HB3 ASP A 25 2.505 6.546 8.765 1.00 14.40 H new ATOM 421 N PHE A 26 4.104 6.079 5.054 1.00 13.15 N ATOM 422 CA PHE A 26 4.918 6.312 3.850 1.00 11.35 C ATOM 423 C PHE A 26 4.234 7.308 2.893 1.00 73.42 C ATOM 424 O PHE A 26 3.014 7.271 2.707 1.00 51.40 O ATOM 425 CB PHE A 26 5.170 4.975 3.137 1.00 65.41 C ATOM 426 CG PHE A 26 5.974 5.079 1.861 1.00 72.23 C ATOM 427 CD1 PHE A 26 7.360 5.133 1.897 1.00 30.40 C ATOM 428 CD2 PHE A 26 5.338 5.110 0.628 1.00 61.12 C ATOM 429 CE1 PHE A 26 8.093 5.217 0.726 1.00 0.01 C ATOM 430 CE2 PHE A 26 6.067 5.191 -0.545 1.00 20.13 C ATOM 431 CZ PHE A 26 7.446 5.247 -0.495 1.00 32.22 C ATOM 0 H PHE A 26 3.116 6.306 4.937 1.00 13.15 H new ATOM 0 HA PHE A 26 5.869 6.749 4.155 1.00 11.35 H new ATOM 0 HB2 PHE A 26 5.689 4.305 3.823 1.00 65.41 H new ATOM 0 HB3 PHE A 26 4.209 4.515 2.908 1.00 65.41 H new ATOM 0 HD1 PHE A 26 7.872 5.109 2.848 1.00 30.40 H new ATOM 0 HD2 PHE A 26 4.260 5.070 0.584 1.00 61.12 H new ATOM 0 HE1 PHE A 26 9.171 5.259 0.766 1.00 0.01 H new ATOM 0 HE2 PHE A 26 5.559 5.210 -1.498 1.00 20.13 H new ATOM 0 HZ PHE A 26 8.018 5.314 -1.409 1.00 32.22 H new ATOM 441 N GLU A 27 5.026 8.200 2.289 1.00 74.24 N ATOM 442 CA GLU A 27 4.507 9.177 1.320 1.00 63.44 C ATOM 443 C GLU A 27 4.877 8.784 -0.123 1.00 51.14 C ATOM 444 O GLU A 27 5.978 8.294 -0.379 1.00 71.03 O ATOM 445 CB GLU A 27 5.043 10.584 1.629 1.00 2.15 C ATOM 446 CG GLU A 27 4.666 11.095 3.015 1.00 30.01 C ATOM 447 CD GLU A 27 5.083 12.538 3.242 1.00 24.50 C ATOM 448 OE1 GLU A 27 4.324 13.451 2.845 1.00 54.41 O ATOM 449 OE2 GLU A 27 6.170 12.773 3.814 1.00 3.45 O ATOM 0 H GLU A 27 6.030 8.267 2.453 1.00 74.24 H new ATOM 0 HA GLU A 27 3.421 9.182 1.408 1.00 63.44 H new ATOM 0 HB2 GLU A 27 6.129 10.577 1.537 1.00 2.15 H new ATOM 0 HB3 GLU A 27 4.664 11.280 0.880 1.00 2.15 H new ATOM 0 HG2 GLU A 27 3.588 11.007 3.149 1.00 30.01 H new ATOM 0 HG3 GLU A 27 5.133 10.463 3.770 1.00 30.01 H new ATOM 456 N ALA A 28 3.959 9.015 -1.059 1.00 22.20 N ATOM 457 CA ALA A 28 4.168 8.637 -2.464 1.00 22.10 C ATOM 458 C ALA A 28 5.266 9.479 -3.135 1.00 11.03 C ATOM 459 O ALA A 28 5.043 10.635 -3.499 1.00 54.55 O ATOM 460 CB ALA A 28 2.863 8.758 -3.245 1.00 2.10 C ATOM 0 H ALA A 28 3.061 9.462 -0.875 1.00 22.20 H new ATOM 0 HA ALA A 28 4.501 7.599 -2.473 1.00 22.10 H new ATOM 0 HB1 ALA A 28 3.033 8.475 -4.284 1.00 2.10 H new ATOM 0 HB2 ALA A 28 2.114 8.098 -2.807 1.00 2.10 H new ATOM 0 HB3 ALA A 28 2.508 9.788 -3.203 1.00 2.10 H new ATOM 466 N ALA A 29 6.453 8.895 -3.289 1.00 61.33 N ATOM 467 CA ALA A 29 7.567 9.559 -3.979 1.00 1.33 C ATOM 468 C ALA A 29 7.257 9.785 -5.470 1.00 10.40 C ATOM 469 O ALA A 29 7.607 10.821 -6.043 1.00 31.23 O ATOM 470 CB ALA A 29 8.840 8.734 -3.824 1.00 3.13 C ATOM 0 H ALA A 29 6.672 7.960 -2.945 1.00 61.33 H new ATOM 0 HA ALA A 29 7.711 10.537 -3.520 1.00 1.33 H new ATOM 0 HB1 ALA A 29 9.662 9.233 -4.338 1.00 3.13 H new ATOM 0 HB2 ALA A 29 9.082 8.633 -2.766 1.00 3.13 H new ATOM 0 HB3 ALA A 29 8.688 7.745 -4.257 1.00 3.13 H new ATOM 476 N GLU A 30 6.599 8.803 -6.091 1.00 75.40 N ATOM 477 CA GLU A 30 6.228 8.878 -7.513 1.00 54.11 C ATOM 478 C GLU A 30 4.702 8.982 -7.671 1.00 55.45 C ATOM 479 O GLU A 30 3.962 8.800 -6.709 1.00 14.24 O ATOM 480 CB GLU A 30 6.742 7.636 -8.261 1.00 11.50 C ATOM 481 CG GLU A 30 8.217 7.332 -8.012 1.00 44.43 C ATOM 482 CD GLU A 30 8.743 6.196 -8.875 1.00 12.03 C ATOM 483 OE1 GLU A 30 8.159 5.090 -8.839 1.00 35.24 O ATOM 484 OE2 GLU A 30 9.742 6.405 -9.592 1.00 30.10 O ATOM 0 H GLU A 30 6.309 7.940 -5.631 1.00 75.40 H new ATOM 0 HA GLU A 30 6.686 9.771 -7.939 1.00 54.11 H new ATOM 0 HB2 GLU A 30 6.148 6.772 -7.963 1.00 11.50 H new ATOM 0 HB3 GLU A 30 6.585 7.777 -9.330 1.00 11.50 H new ATOM 0 HG2 GLU A 30 8.805 8.229 -8.205 1.00 44.43 H new ATOM 0 HG3 GLU A 30 8.358 7.078 -6.961 1.00 44.43 H new ATOM 491 N ASP A 31 4.235 9.268 -8.888 1.00 74.40 N ATOM 492 CA ASP A 31 2.790 9.343 -9.158 1.00 24.10 C ATOM 493 C ASP A 31 2.108 7.979 -8.964 1.00 33.11 C ATOM 494 O ASP A 31 0.937 7.902 -8.595 1.00 40.32 O ATOM 495 CB ASP A 31 2.530 9.850 -10.582 1.00 74.40 C ATOM 496 CG ASP A 31 3.028 11.264 -10.791 1.00 52.13 C ATOM 497 OD1 ASP A 31 2.459 12.195 -10.189 1.00 64.25 O ATOM 498 OD2 ASP A 31 3.989 11.455 -11.564 1.00 65.44 O ATOM 0 H ASP A 31 4.827 9.451 -9.698 1.00 74.40 H new ATOM 0 HA ASP A 31 2.364 10.046 -8.442 1.00 24.10 H new ATOM 0 HB2 ASP A 31 3.018 9.187 -11.296 1.00 74.40 H new ATOM 0 HB3 ASP A 31 1.461 9.810 -10.789 1.00 74.40 H new ATOM 503 N ASN A 32 2.854 6.907 -9.217 1.00 25.51 N ATOM 504 CA ASN A 32 2.319 5.543 -9.126 1.00 54.34 C ATOM 505 C ASN A 32 2.253 5.038 -7.678 1.00 64.52 C ATOM 506 O ASN A 32 1.484 4.129 -7.375 1.00 44.23 O ATOM 507 CB ASN A 32 3.169 4.595 -9.972 1.00 31.23 C ATOM 508 CG ASN A 32 3.126 4.941 -11.453 1.00 12.14 C ATOM 509 OD1 ASN A 32 2.899 6.086 -11.832 1.00 62.43 O ATOM 510 ND2 ASN A 32 3.349 3.960 -12.302 1.00 43.24 N ATOM 0 H ASN A 32 3.836 6.953 -9.488 1.00 25.51 H new ATOM 0 HA ASN A 32 1.298 5.566 -9.508 1.00 54.34 H new ATOM 0 HB2 ASN A 32 4.201 4.629 -9.624 1.00 31.23 H new ATOM 0 HB3 ASN A 32 2.818 3.573 -9.830 1.00 31.23 H new ATOM 0 HD21 ASN A 32 3.336 4.141 -13.306 1.00 43.24 H new ATOM 0 HD22 ASN A 32 3.535 3.019 -11.956 1.00 43.24 H new ATOM 517 N GLU A 33 3.052 5.630 -6.794 1.00 53.20 N ATOM 518 CA GLU A 33 3.111 5.207 -5.385 1.00 15.14 C ATOM 519 C GLU A 33 1.857 5.648 -4.605 1.00 42.24 C ATOM 520 O GLU A 33 1.115 6.529 -5.046 1.00 21.34 O ATOM 521 CB GLU A 33 4.371 5.772 -4.716 1.00 70.11 C ATOM 522 CG GLU A 33 5.680 5.304 -5.347 1.00 54.03 C ATOM 523 CD GLU A 33 5.985 3.831 -5.089 1.00 54.33 C ATOM 524 OE1 GLU A 33 6.648 3.525 -4.069 1.00 34.41 O ATOM 525 OE2 GLU A 33 5.588 2.983 -5.915 1.00 72.44 O ATOM 0 H GLU A 33 3.672 6.407 -7.023 1.00 53.20 H new ATOM 0 HA GLU A 33 3.149 4.118 -5.368 1.00 15.14 H new ATOM 0 HB2 GLU A 33 4.332 6.861 -4.754 1.00 70.11 H new ATOM 0 HB3 GLU A 33 4.367 5.490 -3.663 1.00 70.11 H new ATOM 0 HG2 GLU A 33 5.638 5.476 -6.423 1.00 54.03 H new ATOM 0 HG3 GLU A 33 6.499 5.910 -4.959 1.00 54.03 H new ATOM 532 N LEU A 34 1.631 5.035 -3.445 1.00 24.31 N ATOM 533 CA LEU A 34 0.446 5.325 -2.622 1.00 62.31 C ATOM 534 C LEU A 34 0.840 6.018 -1.296 1.00 52.50 C ATOM 535 O LEU A 34 1.645 5.493 -0.527 1.00 63.41 O ATOM 536 CB LEU A 34 -0.310 4.012 -2.329 1.00 51.51 C ATOM 537 CG LEU A 34 -1.849 4.114 -2.237 1.00 33.21 C ATOM 538 CD1 LEU A 34 -2.460 2.745 -1.951 1.00 71.34 C ATOM 539 CD2 LEU A 34 -2.292 5.127 -1.181 1.00 31.33 C ATOM 0 H LEU A 34 2.252 4.331 -3.048 1.00 24.31 H new ATOM 0 HA LEU A 34 -0.201 6.006 -3.175 1.00 62.31 H new ATOM 0 HB2 LEU A 34 -0.061 3.292 -3.109 1.00 51.51 H new ATOM 0 HB3 LEU A 34 0.063 3.605 -1.389 1.00 51.51 H new ATOM 0 HG LEU A 34 -2.210 4.468 -3.203 1.00 33.21 H new ATOM 0 HD11 LEU A 34 -3.544 2.836 -1.890 1.00 71.34 H new ATOM 0 HD12 LEU A 34 -2.199 2.055 -2.753 1.00 71.34 H new ATOM 0 HD13 LEU A 34 -2.074 2.365 -1.005 1.00 71.34 H new ATOM 0 HD21 LEU A 34 -3.381 5.167 -1.149 1.00 31.33 H new ATOM 0 HD22 LEU A 34 -1.912 4.825 -0.205 1.00 31.33 H new ATOM 0 HD23 LEU A 34 -1.900 6.112 -1.435 1.00 31.33 H new ATOM 551 N THR A 35 0.268 7.199 -1.040 1.00 14.10 N ATOM 552 CA THR A 35 0.503 7.924 0.226 1.00 4.02 C ATOM 553 C THR A 35 -0.503 7.504 1.305 1.00 32.40 C ATOM 554 O THR A 35 -1.706 7.706 1.142 1.00 14.23 O ATOM 555 CB THR A 35 0.385 9.461 0.046 1.00 12.22 C ATOM 556 OG1 THR A 35 1.295 9.926 -0.962 1.00 24.34 O ATOM 557 CG2 THR A 35 0.670 10.197 1.356 1.00 4.54 C ATOM 0 H THR A 35 -0.360 7.677 -1.686 1.00 14.10 H new ATOM 0 HA THR A 35 1.517 7.667 0.532 1.00 4.02 H new ATOM 0 HB THR A 35 -0.639 9.672 -0.263 1.00 12.22 H new ATOM 0 HG1 THR A 35 1.204 10.897 -1.062 1.00 24.34 H new ATOM 0 HG21 THR A 35 0.579 11.271 1.197 1.00 4.54 H new ATOM 0 HG22 THR A 35 -0.046 9.881 2.114 1.00 4.54 H new ATOM 0 HG23 THR A 35 1.680 9.964 1.692 1.00 4.54 H new ATOM 565 N PHE A 36 -0.015 6.934 2.408 1.00 54.40 N ATOM 566 CA PHE A 36 -0.889 6.553 3.532 1.00 41.03 C ATOM 567 C PHE A 36 -0.092 6.301 4.823 1.00 22.32 C ATOM 568 O PHE A 36 1.124 6.107 4.795 1.00 2.43 O ATOM 569 CB PHE A 36 -1.741 5.322 3.178 1.00 33.34 C ATOM 570 CG PHE A 36 -0.951 4.078 2.853 1.00 64.21 C ATOM 571 CD1 PHE A 36 -0.385 3.912 1.598 1.00 42.15 C ATOM 572 CD2 PHE A 36 -0.791 3.072 3.793 1.00 13.23 C ATOM 573 CE1 PHE A 36 0.322 2.772 1.287 1.00 43.42 C ATOM 574 CE2 PHE A 36 -0.087 1.927 3.483 1.00 63.43 C ATOM 575 CZ PHE A 36 0.471 1.778 2.230 1.00 65.43 C ATOM 0 H PHE A 36 0.973 6.725 2.552 1.00 54.40 H new ATOM 0 HA PHE A 36 -1.555 7.396 3.715 1.00 41.03 H new ATOM 0 HB2 PHE A 36 -2.406 5.105 4.014 1.00 33.34 H new ATOM 0 HB3 PHE A 36 -2.372 5.568 2.324 1.00 33.34 H new ATOM 0 HD1 PHE A 36 -0.500 4.687 0.855 1.00 42.15 H new ATOM 0 HD2 PHE A 36 -1.221 3.186 4.777 1.00 13.23 H new ATOM 0 HE1 PHE A 36 0.759 2.657 0.306 1.00 43.42 H new ATOM 0 HE2 PHE A 36 0.027 1.147 4.221 1.00 63.43 H new ATOM 0 HZ PHE A 36 1.024 0.883 1.988 1.00 65.43 H new ATOM 585 N LYS A 37 -0.790 6.309 5.960 1.00 42.44 N ATOM 586 CA LYS A 37 -0.141 6.124 7.265 1.00 71.41 C ATOM 587 C LYS A 37 -0.560 4.804 7.930 1.00 43.22 C ATOM 588 O LYS A 37 -1.433 4.087 7.438 1.00 45.31 O ATOM 589 CB LYS A 37 -0.463 7.295 8.214 1.00 65.02 C ATOM 590 CG LYS A 37 0.085 8.657 7.774 1.00 74.05 C ATOM 591 CD LYS A 37 -0.780 9.324 6.702 1.00 24.23 C ATOM 592 CE LYS A 37 -2.194 9.605 7.201 1.00 41.42 C ATOM 593 NZ LYS A 37 -2.992 10.376 6.214 1.00 75.33 N ATOM 0 H LYS A 37 -1.800 6.441 6.007 1.00 42.44 H new ATOM 0 HA LYS A 37 0.933 6.093 7.079 1.00 71.41 H new ATOM 0 HB2 LYS A 37 -1.545 7.372 8.317 1.00 65.02 H new ATOM 0 HB3 LYS A 37 -0.065 7.062 9.202 1.00 65.02 H new ATOM 0 HG2 LYS A 37 0.152 9.314 8.641 1.00 74.05 H new ATOM 0 HG3 LYS A 37 1.097 8.530 7.391 1.00 74.05 H new ATOM 0 HD2 LYS A 37 -0.314 10.258 6.390 1.00 24.23 H new ATOM 0 HD3 LYS A 37 -0.827 8.682 5.823 1.00 24.23 H new ATOM 0 HE2 LYS A 37 -2.696 8.662 7.415 1.00 41.42 H new ATOM 0 HE3 LYS A 37 -2.144 10.159 8.138 1.00 41.42 H new ATOM 0 HZ1 LYS A 37 -3.872 10.705 6.660 1.00 75.33 H new ATOM 0 HZ2 LYS A 37 -2.442 11.196 5.888 1.00 75.33 H new ATOM 0 HZ3 LYS A 37 -3.221 9.768 5.402 1.00 75.33 H new ATOM 607 N ALA A 38 0.071 4.502 9.066 1.00 42.41 N ATOM 608 CA ALA A 38 -0.251 3.305 9.844 1.00 14.33 C ATOM 609 C ALA A 38 -1.729 3.287 10.267 1.00 22.20 C ATOM 610 O ALA A 38 -2.300 4.323 10.626 1.00 44.20 O ATOM 611 CB ALA A 38 0.652 3.221 11.071 1.00 72.01 C ATOM 0 H ALA A 38 0.813 5.074 9.470 1.00 42.41 H new ATOM 0 HA ALA A 38 -0.078 2.435 9.210 1.00 14.33 H new ATOM 0 HB1 ALA A 38 0.405 2.327 11.644 1.00 72.01 H new ATOM 0 HB2 ALA A 38 1.694 3.172 10.754 1.00 72.01 H new ATOM 0 HB3 ALA A 38 0.503 4.103 11.693 1.00 72.01 H new ATOM 617 N GLY A 39 -2.344 2.107 10.229 1.00 1.11 N ATOM 618 CA GLY A 39 -3.759 1.981 10.568 1.00 3.34 C ATOM 619 C GLY A 39 -4.638 1.649 9.367 1.00 4.31 C ATOM 620 O GLY A 39 -5.710 1.061 9.521 1.00 14.24 O ATOM 0 H GLY A 39 -1.889 1.232 9.969 1.00 1.11 H new ATOM 0 HA2 GLY A 39 -3.877 1.203 11.322 1.00 3.34 H new ATOM 0 HA3 GLY A 39 -4.103 2.914 11.015 1.00 3.34 H new ATOM 624 N GLU A 40 -4.191 2.024 8.167 1.00 41.23 N ATOM 625 CA GLU A 40 -4.929 1.713 6.933 1.00 72.32 C ATOM 626 C GLU A 40 -5.005 0.196 6.686 1.00 40.42 C ATOM 627 O GLU A 40 -4.033 -0.533 6.907 1.00 60.43 O ATOM 628 CB GLU A 40 -4.264 2.387 5.719 1.00 51.34 C ATOM 629 CG GLU A 40 -4.391 3.908 5.683 1.00 1.14 C ATOM 630 CD GLU A 40 -5.824 4.387 5.481 1.00 2.10 C ATOM 631 OE1 GLU A 40 -6.334 4.296 4.347 1.00 32.11 O ATOM 632 OE2 GLU A 40 -6.441 4.865 6.460 1.00 23.33 O ATOM 0 H GLU A 40 -3.325 2.542 8.019 1.00 41.23 H new ATOM 0 HA GLU A 40 -5.941 2.098 7.059 1.00 72.32 H new ATOM 0 HB2 GLU A 40 -3.206 2.124 5.709 1.00 51.34 H new ATOM 0 HB3 GLU A 40 -4.702 1.978 4.809 1.00 51.34 H new ATOM 0 HG2 GLU A 40 -4.005 4.320 6.615 1.00 1.14 H new ATOM 0 HG3 GLU A 40 -3.767 4.299 4.879 1.00 1.14 H new ATOM 639 N ILE A 41 -6.172 -0.270 6.243 1.00 14.41 N ATOM 640 CA ILE A 41 -6.343 -1.655 5.800 1.00 35.11 C ATOM 641 C ILE A 41 -6.214 -1.735 4.270 1.00 51.11 C ATOM 642 O ILE A 41 -7.192 -1.566 3.534 1.00 22.30 O ATOM 643 CB ILE A 41 -7.714 -2.234 6.246 1.00 44.41 C ATOM 644 CG1 ILE A 41 -7.868 -2.135 7.776 1.00 2.50 C ATOM 645 CG2 ILE A 41 -7.868 -3.682 5.783 1.00 72.22 C ATOM 646 CD1 ILE A 41 -6.817 -2.898 8.557 1.00 15.42 C ATOM 0 H ILE A 41 -7.019 0.295 6.181 1.00 14.41 H new ATOM 0 HA ILE A 41 -5.560 -2.254 6.266 1.00 35.11 H new ATOM 0 HB ILE A 41 -8.503 -1.643 5.780 1.00 44.41 H new ATOM 0 HG12 ILE A 41 -7.829 -1.085 8.067 1.00 2.50 H new ATOM 0 HG13 ILE A 41 -8.854 -2.507 8.056 1.00 2.50 H new ATOM 0 HG21 ILE A 41 -8.835 -4.067 6.107 1.00 72.22 H new ATOM 0 HG22 ILE A 41 -7.806 -3.725 4.696 1.00 72.22 H new ATOM 0 HG23 ILE A 41 -7.073 -4.289 6.216 1.00 72.22 H new ATOM 0 HD11 ILE A 41 -6.998 -2.776 9.625 1.00 15.42 H new ATOM 0 HD12 ILE A 41 -6.868 -3.956 8.299 1.00 15.42 H new ATOM 0 HD13 ILE A 41 -5.828 -2.512 8.310 1.00 15.42 H new ATOM 658 N ILE A 42 -4.995 -1.973 3.796 1.00 74.14 N ATOM 659 CA ILE A 42 -4.703 -1.938 2.361 1.00 53.11 C ATOM 660 C ILE A 42 -5.254 -3.177 1.647 1.00 15.10 C ATOM 661 O ILE A 42 -4.797 -4.297 1.875 1.00 53.03 O ATOM 662 CB ILE A 42 -3.179 -1.830 2.060 1.00 62.10 C ATOM 663 CG1 ILE A 42 -2.560 -0.557 2.671 1.00 72.32 C ATOM 664 CG2 ILE A 42 -2.937 -1.861 0.553 1.00 70.21 C ATOM 665 CD1 ILE A 42 -2.399 -0.601 4.175 1.00 32.12 C ATOM 0 H ILE A 42 -4.190 -2.193 4.383 1.00 74.14 H new ATOM 0 HA ILE A 42 -5.196 -1.042 1.985 1.00 53.11 H new ATOM 0 HB ILE A 42 -2.691 -2.688 2.523 1.00 62.10 H new ATOM 0 HG12 ILE A 42 -1.583 -0.389 2.218 1.00 72.32 H new ATOM 0 HG13 ILE A 42 -3.184 0.298 2.409 1.00 72.32 H new ATOM 0 HG21 ILE A 42 -1.868 -1.785 0.355 1.00 70.21 H new ATOM 0 HG22 ILE A 42 -3.316 -2.797 0.143 1.00 70.21 H new ATOM 0 HG23 ILE A 42 -3.454 -1.023 0.084 1.00 70.21 H new ATOM 0 HD11 ILE A 42 -1.957 0.333 4.521 1.00 32.12 H new ATOM 0 HD12 ILE A 42 -3.375 -0.735 4.642 1.00 32.12 H new ATOM 0 HD13 ILE A 42 -1.749 -1.433 4.447 1.00 32.12 H new ATOM 677 N THR A 43 -6.237 -2.971 0.784 1.00 10.15 N ATOM 678 CA THR A 43 -6.753 -4.057 -0.053 1.00 1.53 C ATOM 679 C THR A 43 -5.986 -4.110 -1.376 1.00 45.21 C ATOM 680 O THR A 43 -6.158 -3.245 -2.230 1.00 53.14 O ATOM 681 CB THR A 43 -8.263 -3.875 -0.345 1.00 14.21 C ATOM 682 OG1 THR A 43 -8.999 -3.846 0.887 1.00 43.24 O ATOM 683 CG2 THR A 43 -8.795 -4.997 -1.233 1.00 73.21 C ATOM 0 H THR A 43 -6.694 -2.071 0.641 1.00 10.15 H new ATOM 0 HA THR A 43 -6.615 -4.990 0.493 1.00 1.53 H new ATOM 0 HB THR A 43 -8.392 -2.930 -0.873 1.00 14.21 H new ATOM 0 HG1 THR A 43 -9.953 -3.729 0.695 1.00 43.24 H new ATOM 0 HG21 THR A 43 -9.857 -4.841 -1.420 1.00 73.21 H new ATOM 0 HG22 THR A 43 -8.256 -4.997 -2.181 1.00 73.21 H new ATOM 0 HG23 THR A 43 -8.652 -5.955 -0.734 1.00 73.21 H new ATOM 691 N VAL A 44 -5.138 -5.119 -1.551 1.00 14.43 N ATOM 692 CA VAL A 44 -4.312 -5.204 -2.759 1.00 22.12 C ATOM 693 C VAL A 44 -5.101 -5.801 -3.937 1.00 60.35 C ATOM 694 O VAL A 44 -5.487 -6.972 -3.930 1.00 33.04 O ATOM 695 CB VAL A 44 -2.990 -5.991 -2.514 1.00 42.21 C ATOM 696 CG1 VAL A 44 -3.257 -7.405 -2.020 1.00 53.43 C ATOM 697 CG2 VAL A 44 -2.126 -6.011 -3.775 1.00 71.33 C ATOM 0 H VAL A 44 -5.003 -5.880 -0.885 1.00 14.43 H new ATOM 0 HA VAL A 44 -4.034 -4.184 -3.022 1.00 22.12 H new ATOM 0 HB VAL A 44 -2.442 -5.469 -1.729 1.00 42.21 H new ATOM 0 HG11 VAL A 44 -2.310 -7.920 -1.861 1.00 53.43 H new ATOM 0 HG12 VAL A 44 -3.809 -7.364 -1.081 1.00 53.43 H new ATOM 0 HG13 VAL A 44 -3.844 -7.945 -2.763 1.00 53.43 H new ATOM 0 HG21 VAL A 44 -1.209 -6.566 -3.579 1.00 71.33 H new ATOM 0 HG22 VAL A 44 -2.675 -6.492 -4.585 1.00 71.33 H new ATOM 0 HG23 VAL A 44 -1.877 -4.989 -4.062 1.00 71.33 H new ATOM 707 N LEU A 45 -5.357 -4.966 -4.941 1.00 74.22 N ATOM 708 CA LEU A 45 -6.125 -5.367 -6.122 1.00 43.21 C ATOM 709 C LEU A 45 -5.268 -6.227 -7.058 1.00 44.34 C ATOM 710 O LEU A 45 -5.734 -7.223 -7.611 1.00 52.22 O ATOM 711 CB LEU A 45 -6.620 -4.118 -6.871 1.00 11.32 C ATOM 712 CG LEU A 45 -7.430 -3.116 -6.026 1.00 50.15 C ATOM 713 CD1 LEU A 45 -7.815 -1.891 -6.857 1.00 43.54 C ATOM 714 CD2 LEU A 45 -8.669 -3.785 -5.434 1.00 31.05 C ATOM 0 H LEU A 45 -5.041 -3.996 -4.961 1.00 74.22 H new ATOM 0 HA LEU A 45 -6.981 -5.957 -5.795 1.00 43.21 H new ATOM 0 HB2 LEU A 45 -5.757 -3.600 -7.289 1.00 11.32 H new ATOM 0 HB3 LEU A 45 -7.236 -4.440 -7.711 1.00 11.32 H new ATOM 0 HG LEU A 45 -6.801 -2.780 -5.202 1.00 50.15 H new ATOM 0 HD11 LEU A 45 -8.386 -1.198 -6.240 1.00 43.54 H new ATOM 0 HD12 LEU A 45 -6.912 -1.397 -7.217 1.00 43.54 H new ATOM 0 HD13 LEU A 45 -8.421 -2.204 -7.707 1.00 43.54 H new ATOM 0 HD21 LEU A 45 -9.226 -3.059 -4.841 1.00 31.05 H new ATOM 0 HD22 LEU A 45 -9.301 -4.157 -6.240 1.00 31.05 H new ATOM 0 HD23 LEU A 45 -8.365 -4.616 -4.798 1.00 31.05 H new ATOM 726 N ASP A 46 -4.006 -5.833 -7.220 1.00 20.42 N ATOM 727 CA ASP A 46 -3.067 -6.561 -8.073 1.00 2.14 C ATOM 728 C ASP A 46 -1.880 -7.091 -7.257 1.00 32.11 C ATOM 729 O ASP A 46 -0.963 -6.343 -6.908 1.00 51.25 O ATOM 730 CB ASP A 46 -2.576 -5.662 -9.216 1.00 52.02 C ATOM 731 CG ASP A 46 -1.619 -6.385 -10.143 1.00 0.03 C ATOM 732 OD1 ASP A 46 -1.998 -7.440 -10.689 1.00 42.21 O ATOM 733 OD2 ASP A 46 -0.477 -5.911 -10.325 1.00 54.31 O ATOM 0 H ASP A 46 -3.608 -5.009 -6.769 1.00 20.42 H new ATOM 0 HA ASP A 46 -3.590 -7.416 -8.502 1.00 2.14 H new ATOM 0 HB2 ASP A 46 -3.432 -5.304 -9.788 1.00 52.02 H new ATOM 0 HB3 ASP A 46 -2.082 -4.784 -8.799 1.00 52.02 H new ATOM 738 N ASP A 47 -1.921 -8.381 -6.940 1.00 44.34 N ATOM 739 CA ASP A 47 -0.854 -9.043 -6.184 1.00 11.34 C ATOM 740 C ASP A 47 -0.130 -10.084 -7.057 1.00 12.11 C ATOM 741 O ASP A 47 0.482 -11.028 -6.544 1.00 54.55 O ATOM 742 CB ASP A 47 -1.454 -9.712 -4.938 1.00 51.44 C ATOM 743 CG ASP A 47 -2.446 -10.818 -5.285 1.00 53.35 C ATOM 744 OD1 ASP A 47 -3.321 -10.597 -6.146 1.00 73.53 O ATOM 745 OD2 ASP A 47 -2.350 -11.918 -4.698 1.00 52.45 O ATOM 0 H ASP A 47 -2.691 -8.999 -7.197 1.00 44.34 H new ATOM 0 HA ASP A 47 -0.121 -8.297 -5.877 1.00 11.34 H new ATOM 0 HB2 ASP A 47 -0.650 -10.128 -4.331 1.00 51.44 H new ATOM 0 HB3 ASP A 47 -1.954 -8.958 -4.331 1.00 51.44 H new ATOM 750 N SER A 48 -0.193 -9.888 -8.376 1.00 34.22 N ATOM 751 CA SER A 48 0.381 -10.832 -9.355 1.00 44.44 C ATOM 752 C SER A 48 1.862 -11.124 -9.085 1.00 65.32 C ATOM 753 O SER A 48 2.337 -12.233 -9.330 1.00 14.40 O ATOM 754 CB SER A 48 0.220 -10.292 -10.786 1.00 75.31 C ATOM 755 OG SER A 48 -1.147 -10.097 -11.114 1.00 31.40 O ATOM 0 H SER A 48 -0.640 -9.076 -8.801 1.00 34.22 H new ATOM 0 HA SER A 48 -0.170 -11.766 -9.249 1.00 44.44 H new ATOM 0 HB2 SER A 48 0.757 -9.349 -10.883 1.00 75.31 H new ATOM 0 HB3 SER A 48 0.670 -10.990 -11.493 1.00 75.31 H new ATOM 0 HG SER A 48 -1.393 -9.163 -10.948 1.00 31.40 H new ATOM 761 N ASP A 49 2.596 -10.130 -8.605 1.00 54.04 N ATOM 762 CA ASP A 49 4.000 -10.314 -8.232 1.00 23.24 C ATOM 763 C ASP A 49 4.304 -9.651 -6.879 1.00 54.50 C ATOM 764 O ASP A 49 4.011 -8.472 -6.681 1.00 15.31 O ATOM 765 CB ASP A 49 4.919 -9.745 -9.317 1.00 42.33 C ATOM 766 CG ASP A 49 4.855 -10.545 -10.606 1.00 24.22 C ATOM 767 OD1 ASP A 49 5.418 -11.657 -10.644 1.00 73.11 O ATOM 768 OD2 ASP A 49 4.255 -10.065 -11.591 1.00 41.20 O ATOM 0 H ASP A 49 2.245 -9.183 -8.463 1.00 54.04 H new ATOM 0 HA ASP A 49 4.185 -11.384 -8.136 1.00 23.24 H new ATOM 0 HB2 ASP A 49 4.641 -8.711 -9.520 1.00 42.33 H new ATOM 0 HB3 ASP A 49 5.945 -9.733 -8.951 1.00 42.33 H new ATOM 773 N PRO A 50 4.920 -10.397 -5.933 1.00 70.30 N ATOM 774 CA PRO A 50 5.222 -9.887 -4.577 1.00 21.45 C ATOM 775 C PRO A 50 6.066 -8.598 -4.581 1.00 53.41 C ATOM 776 O PRO A 50 6.075 -7.843 -3.609 1.00 4.04 O ATOM 777 CB PRO A 50 6.003 -11.038 -3.926 1.00 45.23 C ATOM 778 CG PRO A 50 5.600 -12.253 -4.691 1.00 35.23 C ATOM 779 CD PRO A 50 5.367 -11.794 -6.105 1.00 52.41 C ATOM 0 HA PRO A 50 4.310 -9.611 -4.047 1.00 21.45 H new ATOM 0 HB2 PRO A 50 7.078 -10.871 -3.987 1.00 45.23 H new ATOM 0 HB3 PRO A 50 5.755 -11.136 -2.869 1.00 45.23 H new ATOM 0 HG2 PRO A 50 6.378 -13.015 -4.651 1.00 35.23 H new ATOM 0 HG3 PRO A 50 4.697 -12.697 -4.271 1.00 35.23 H new ATOM 0 HD2 PRO A 50 6.276 -11.856 -6.704 1.00 52.41 H new ATOM 0 HD3 PRO A 50 4.613 -12.400 -6.607 1.00 52.41 H new ATOM 787 N ASN A 51 6.769 -8.355 -5.685 1.00 61.51 N ATOM 788 CA ASN A 51 7.652 -7.189 -5.808 1.00 14.25 C ATOM 789 C ASN A 51 6.883 -5.919 -6.217 1.00 51.13 C ATOM 790 O ASN A 51 7.364 -4.800 -6.022 1.00 42.22 O ATOM 791 CB ASN A 51 8.755 -7.499 -6.823 1.00 33.14 C ATOM 792 CG ASN A 51 9.549 -8.739 -6.437 1.00 11.01 C ATOM 793 OD1 ASN A 51 9.720 -9.045 -5.262 1.00 13.43 O ATOM 794 ND2 ASN A 51 10.022 -9.477 -7.420 1.00 53.44 N ATOM 0 H ASN A 51 6.746 -8.951 -6.513 1.00 61.51 H new ATOM 0 HA ASN A 51 8.092 -6.990 -4.831 1.00 14.25 H new ATOM 0 HB2 ASN A 51 8.312 -7.644 -7.808 1.00 33.14 H new ATOM 0 HB3 ASN A 51 9.429 -6.646 -6.899 1.00 33.14 H new ATOM 0 HD21 ASN A 51 10.546 -10.327 -7.213 1.00 53.44 H new ATOM 0 HD22 ASN A 51 9.865 -9.198 -8.388 1.00 53.44 H new ATOM 801 N TRP A 52 5.689 -6.093 -6.788 1.00 21.35 N ATOM 802 CA TRP A 52 4.851 -4.960 -7.212 1.00 21.32 C ATOM 803 C TRP A 52 3.374 -5.182 -6.837 1.00 31.33 C ATOM 804 O TRP A 52 2.647 -5.897 -7.528 1.00 61.14 O ATOM 805 CB TRP A 52 4.978 -4.724 -8.726 1.00 20.31 C ATOM 806 CG TRP A 52 6.341 -4.261 -9.153 1.00 15.21 C ATOM 807 CD1 TRP A 52 7.397 -5.041 -9.532 1.00 21.22 C ATOM 808 CD2 TRP A 52 6.798 -2.904 -9.230 1.00 24.41 C ATOM 809 NE1 TRP A 52 8.477 -4.251 -9.842 1.00 72.12 N ATOM 810 CE2 TRP A 52 8.134 -2.937 -9.668 1.00 51.40 C ATOM 811 CE3 TRP A 52 6.201 -1.663 -8.979 1.00 42.44 C ATOM 812 CZ2 TRP A 52 8.887 -1.781 -9.852 1.00 12.01 C ATOM 813 CZ3 TRP A 52 6.951 -0.515 -9.163 1.00 15.35 C ATOM 814 CH2 TRP A 52 8.280 -0.581 -9.598 1.00 43.11 C ATOM 0 H TRP A 52 5.277 -7.008 -6.969 1.00 21.35 H new ATOM 0 HA TRP A 52 5.208 -4.075 -6.685 1.00 21.32 H new ATOM 0 HB2 TRP A 52 4.738 -5.649 -9.250 1.00 20.31 H new ATOM 0 HB3 TRP A 52 4.240 -3.983 -9.032 1.00 20.31 H new ATOM 0 HD1 TRP A 52 7.384 -6.120 -9.581 1.00 21.22 H new ATOM 0 HE1 TRP A 52 9.388 -4.589 -10.152 1.00 72.12 H new ATOM 0 HE3 TRP A 52 5.175 -1.603 -8.648 1.00 42.44 H new ATOM 0 HZ2 TRP A 52 9.914 -1.829 -10.183 1.00 12.01 H new ATOM 0 HZ3 TRP A 52 6.504 0.448 -8.968 1.00 15.35 H new ATOM 0 HH2 TRP A 52 8.838 0.334 -9.736 1.00 43.11 H new ATOM 825 N TRP A 53 2.943 -4.570 -5.735 1.00 42.24 N ATOM 826 CA TRP A 53 1.552 -4.671 -5.270 1.00 1.03 C ATOM 827 C TRP A 53 0.777 -3.364 -5.496 1.00 70.02 C ATOM 828 O TRP A 53 1.235 -2.283 -5.118 1.00 34.25 O ATOM 829 CB TRP A 53 1.515 -5.039 -3.776 1.00 20.32 C ATOM 830 CG TRP A 53 1.695 -6.507 -3.487 1.00 4.23 C ATOM 831 CD1 TRP A 53 2.218 -7.460 -4.313 1.00 13.50 C ATOM 832 CD2 TRP A 53 1.345 -7.182 -2.272 1.00 54.30 C ATOM 833 NE1 TRP A 53 2.205 -8.684 -3.688 1.00 72.42 N ATOM 834 CE2 TRP A 53 1.677 -8.539 -2.434 1.00 60.22 C ATOM 835 CE3 TRP A 53 0.779 -6.766 -1.064 1.00 20.31 C ATOM 836 CZ2 TRP A 53 1.461 -9.482 -1.430 1.00 23.34 C ATOM 837 CZ3 TRP A 53 0.569 -7.700 -0.070 1.00 1.30 C ATOM 838 CH2 TRP A 53 0.907 -9.047 -0.257 1.00 44.13 C ATOM 0 H TRP A 53 3.539 -3.994 -5.141 1.00 42.24 H new ATOM 0 HA TRP A 53 1.071 -5.455 -5.855 1.00 1.03 H new ATOM 0 HB2 TRP A 53 2.296 -4.482 -3.259 1.00 20.32 H new ATOM 0 HB3 TRP A 53 0.562 -4.714 -3.359 1.00 20.32 H new ATOM 0 HD1 TRP A 53 2.588 -7.279 -5.311 1.00 13.50 H new ATOM 0 HE1 TRP A 53 2.536 -9.560 -4.094 1.00 72.42 H new ATOM 0 HE3 TRP A 53 0.510 -5.731 -0.911 1.00 20.31 H new ATOM 0 HZ2 TRP A 53 1.722 -10.520 -1.573 1.00 23.34 H new ATOM 0 HZ3 TRP A 53 0.136 -7.387 0.869 1.00 1.30 H new ATOM 0 HH2 TRP A 53 0.727 -9.754 0.539 1.00 44.13 H new ATOM 849 N LYS A 54 -0.397 -3.476 -6.114 1.00 51.43 N ATOM 850 CA LYS A 54 -1.302 -2.333 -6.288 1.00 62.43 C ATOM 851 C LYS A 54 -2.416 -2.382 -5.233 1.00 41.15 C ATOM 852 O LYS A 54 -3.259 -3.282 -5.250 1.00 61.25 O ATOM 853 CB LYS A 54 -1.905 -2.353 -7.703 1.00 13.31 C ATOM 854 CG LYS A 54 -2.911 -1.238 -7.978 1.00 3.14 C ATOM 855 CD LYS A 54 -3.497 -1.342 -9.384 1.00 50.13 C ATOM 856 CE LYS A 54 -4.569 -0.285 -9.632 1.00 30.42 C ATOM 857 NZ LYS A 54 -5.153 -0.397 -10.998 1.00 35.32 N ATOM 0 H LYS A 54 -0.748 -4.350 -6.506 1.00 51.43 H new ATOM 0 HA LYS A 54 -0.739 -1.408 -6.160 1.00 62.43 H new ATOM 0 HB2 LYS A 54 -1.096 -2.283 -8.430 1.00 13.31 H new ATOM 0 HB3 LYS A 54 -2.394 -3.314 -7.862 1.00 13.31 H new ATOM 0 HG2 LYS A 54 -3.715 -1.284 -7.244 1.00 3.14 H new ATOM 0 HG3 LYS A 54 -2.424 -0.270 -7.857 1.00 3.14 H new ATOM 0 HD2 LYS A 54 -2.700 -1.230 -10.119 1.00 50.13 H new ATOM 0 HD3 LYS A 54 -3.925 -2.334 -9.527 1.00 50.13 H new ATOM 0 HE2 LYS A 54 -5.360 -0.389 -8.889 1.00 30.42 H new ATOM 0 HE3 LYS A 54 -4.138 0.707 -9.502 1.00 30.42 H new ATOM 0 HZ1 LYS A 54 -5.877 0.338 -11.127 1.00 35.32 H new ATOM 0 HZ2 LYS A 54 -4.403 -0.273 -11.708 1.00 35.32 H new ATOM 0 HZ3 LYS A 54 -5.587 -1.335 -11.114 1.00 35.32 H new ATOM 871 N GLY A 55 -2.434 -1.404 -4.331 1.00 25.11 N ATOM 872 CA GLY A 55 -3.330 -1.462 -3.179 1.00 63.54 C ATOM 873 C GLY A 55 -4.410 -0.386 -3.161 1.00 32.34 C ATOM 874 O GLY A 55 -4.291 0.653 -3.812 1.00 65.25 O ATOM 0 H GLY A 55 -1.846 -0.571 -4.374 1.00 25.11 H new ATOM 0 HA2 GLY A 55 -3.810 -2.440 -3.157 1.00 63.54 H new ATOM 0 HA3 GLY A 55 -2.736 -1.378 -2.269 1.00 63.54 H new ATOM 878 N GLU A 56 -5.464 -0.653 -2.394 1.00 61.00 N ATOM 879 CA GLU A 56 -6.580 0.277 -2.207 1.00 54.11 C ATOM 880 C GLU A 56 -6.662 0.733 -0.741 1.00 53.50 C ATOM 881 O GLU A 56 -6.734 -0.093 0.172 1.00 41.43 O ATOM 882 CB GLU A 56 -7.899 -0.410 -2.595 1.00 33.31 C ATOM 883 CG GLU A 56 -9.140 0.455 -2.382 1.00 64.55 C ATOM 884 CD GLU A 56 -10.424 -0.361 -2.367 1.00 13.21 C ATOM 885 OE1 GLU A 56 -10.977 -0.640 -3.449 1.00 25.23 O ATOM 886 OE2 GLU A 56 -10.885 -0.729 -1.262 1.00 44.44 O ATOM 0 H GLU A 56 -5.571 -1.527 -1.880 1.00 61.00 H new ATOM 0 HA GLU A 56 -6.414 1.147 -2.842 1.00 54.11 H new ATOM 0 HB2 GLU A 56 -7.849 -0.702 -3.644 1.00 33.31 H new ATOM 0 HB3 GLU A 56 -8.004 -1.326 -2.013 1.00 33.31 H new ATOM 0 HG2 GLU A 56 -9.045 0.995 -1.440 1.00 64.55 H new ATOM 0 HG3 GLU A 56 -9.198 1.203 -3.173 1.00 64.55 H new ATOM 893 N THR A 57 -6.665 2.045 -0.519 1.00 34.23 N ATOM 894 CA THR A 57 -6.793 2.611 0.836 1.00 43.12 C ATOM 895 C THR A 57 -7.906 3.657 0.882 1.00 60.11 C ATOM 896 O THR A 57 -8.602 3.878 -0.110 1.00 72.51 O ATOM 897 CB THR A 57 -5.479 3.284 1.307 1.00 13.10 C ATOM 898 OG1 THR A 57 -5.189 4.429 0.488 1.00 40.20 O ATOM 899 CG2 THR A 57 -4.311 2.308 1.258 1.00 4.23 C ATOM 0 H THR A 57 -6.580 2.744 -1.257 1.00 34.23 H new ATOM 0 HA THR A 57 -7.027 1.778 1.499 1.00 43.12 H new ATOM 0 HB THR A 57 -5.617 3.602 2.341 1.00 13.10 H new ATOM 0 HG1 THR A 57 -5.089 4.147 -0.445 1.00 40.20 H new ATOM 0 HG21 THR A 57 -3.403 2.809 1.594 1.00 4.23 H new ATOM 0 HG22 THR A 57 -4.519 1.459 1.909 1.00 4.23 H new ATOM 0 HG23 THR A 57 -4.174 1.956 0.236 1.00 4.23 H new ATOM 907 N HIS A 58 -8.087 4.294 2.040 1.00 70.55 N ATOM 908 CA HIS A 58 -9.023 5.413 2.158 1.00 73.31 C ATOM 909 C HIS A 58 -8.368 6.708 1.660 1.00 21.24 C ATOM 910 O HIS A 58 -9.045 7.664 1.280 1.00 42.21 O ATOM 911 CB HIS A 58 -9.495 5.569 3.611 1.00 61.52 C ATOM 912 CG HIS A 58 -10.322 4.416 4.098 1.00 41.55 C ATOM 913 ND1 HIS A 58 -10.931 4.394 5.334 1.00 52.23 N ATOM 914 CD2 HIS A 58 -10.649 3.241 3.503 1.00 34.34 C ATOM 915 CE1 HIS A 58 -11.591 3.263 5.476 1.00 22.10 C ATOM 916 NE2 HIS A 58 -11.438 2.548 4.383 1.00 5.25 N ATOM 0 H HIS A 58 -7.601 4.056 2.905 1.00 70.55 H new ATOM 0 HA HIS A 58 -9.894 5.205 1.537 1.00 73.31 H new ATOM 0 HB2 HIS A 58 -8.625 5.680 4.258 1.00 61.52 H new ATOM 0 HB3 HIS A 58 -10.077 6.486 3.699 1.00 61.52 H new ATOM 0 HD2 HIS A 58 -10.344 2.914 2.520 1.00 34.34 H new ATOM 0 HE1 HIS A 58 -12.162 2.972 6.345 1.00 22.10 H new ATOM 0 HE2 HIS A 58 -11.842 1.626 4.217 1.00 5.25 H new ATOM 925 N GLN A 59 -7.036 6.722 1.667 1.00 31.23 N ATOM 926 CA GLN A 59 -6.268 7.840 1.116 1.00 53.23 C ATOM 927 C GLN A 59 -6.339 7.839 -0.420 1.00 71.23 C ATOM 928 O GLN A 59 -6.517 8.885 -1.049 1.00 63.11 O ATOM 929 CB GLN A 59 -4.806 7.744 1.576 1.00 42.00 C ATOM 930 CG GLN A 59 -4.629 7.749 3.093 1.00 74.44 C ATOM 931 CD GLN A 59 -5.032 9.067 3.730 1.00 64.11 C ATOM 932 OE1 GLN A 59 -4.218 9.974 3.874 1.00 43.34 O ATOM 933 NE2 GLN A 59 -6.284 9.186 4.127 1.00 73.51 N ATOM 0 H GLN A 59 -6.464 5.969 2.049 1.00 31.23 H new ATOM 0 HA GLN A 59 -6.698 8.773 1.480 1.00 53.23 H new ATOM 0 HB2 GLN A 59 -4.368 6.831 1.173 1.00 42.00 H new ATOM 0 HB3 GLN A 59 -4.247 8.579 1.153 1.00 42.00 H new ATOM 0 HG2 GLN A 59 -5.224 6.945 3.526 1.00 74.44 H new ATOM 0 HG3 GLN A 59 -3.587 7.539 3.333 1.00 74.44 H new ATOM 0 HE21 GLN A 59 -6.937 8.414 3.993 1.00 73.51 H new ATOM 0 HE22 GLN A 59 -6.599 10.050 4.568 1.00 73.51 H new ATOM 942 N GLY A 60 -6.206 6.651 -1.011 1.00 42.20 N ATOM 943 CA GLY A 60 -6.265 6.505 -2.462 1.00 23.31 C ATOM 944 C GLY A 60 -5.770 5.140 -2.949 1.00 45.04 C ATOM 945 O GLY A 60 -5.472 4.252 -2.149 1.00 64.42 O ATOM 0 H GLY A 60 -6.057 5.778 -0.506 1.00 42.20 H new ATOM 0 HA2 GLY A 60 -7.293 6.652 -2.794 1.00 23.31 H new ATOM 0 HA3 GLY A 60 -5.665 7.289 -2.925 1.00 23.31 H new ATOM 949 N ILE A 61 -5.699 4.969 -4.268 1.00 13.44 N ATOM 950 CA ILE A 61 -5.196 3.727 -4.880 1.00 53.01 C ATOM 951 C ILE A 61 -3.823 3.962 -5.540 1.00 33.33 C ATOM 952 O ILE A 61 -3.614 4.974 -6.218 1.00 41.44 O ATOM 953 CB ILE A 61 -6.186 3.164 -5.947 1.00 71.31 C ATOM 954 CG1 ILE A 61 -7.508 2.697 -5.298 1.00 51.25 C ATOM 955 CG2 ILE A 61 -5.552 2.012 -6.732 1.00 41.24 C ATOM 956 CD1 ILE A 61 -8.396 3.817 -4.789 1.00 23.21 C ATOM 0 H ILE A 61 -5.985 5.678 -4.944 1.00 13.44 H new ATOM 0 HA ILE A 61 -5.098 2.996 -4.078 1.00 53.01 H new ATOM 0 HB ILE A 61 -6.411 3.976 -6.639 1.00 71.31 H new ATOM 0 HG12 ILE A 61 -8.068 2.111 -6.027 1.00 51.25 H new ATOM 0 HG13 ILE A 61 -7.274 2.032 -4.467 1.00 51.25 H new ATOM 0 HG21 ILE A 61 -6.264 1.639 -7.468 1.00 41.24 H new ATOM 0 HG22 ILE A 61 -4.656 2.368 -7.241 1.00 41.24 H new ATOM 0 HG23 ILE A 61 -5.284 1.208 -6.046 1.00 41.24 H new ATOM 0 HD11 ILE A 61 -9.300 3.394 -4.351 1.00 23.21 H new ATOM 0 HD12 ILE A 61 -7.860 4.391 -4.033 1.00 23.21 H new ATOM 0 HD13 ILE A 61 -8.667 4.472 -5.617 1.00 23.21 H new ATOM 968 N GLY A 62 -2.892 3.027 -5.342 1.00 5.20 N ATOM 969 CA GLY A 62 -1.555 3.161 -5.918 1.00 62.22 C ATOM 970 C GLY A 62 -0.653 1.961 -5.633 1.00 14.40 C ATOM 971 O GLY A 62 -1.141 0.868 -5.339 1.00 70.11 O ATOM 0 H GLY A 62 -3.037 2.179 -4.794 1.00 5.20 H new ATOM 0 HA2 GLY A 62 -1.643 3.293 -6.996 1.00 62.22 H new ATOM 0 HA3 GLY A 62 -1.085 4.062 -5.524 1.00 62.22 H new ATOM 975 N LEU A 63 0.661 2.163 -5.726 1.00 74.24 N ATOM 976 CA LEU A 63 1.639 1.099 -5.472 1.00 24.14 C ATOM 977 C LEU A 63 2.374 1.320 -4.139 1.00 1.32 C ATOM 978 O LEU A 63 2.474 2.442 -3.645 1.00 40.53 O ATOM 979 CB LEU A 63 2.667 1.036 -6.617 1.00 2.03 C ATOM 980 CG LEU A 63 2.093 0.772 -8.022 1.00 51.30 C ATOM 981 CD1 LEU A 63 3.199 0.812 -9.074 1.00 12.42 C ATOM 982 CD2 LEU A 63 1.357 -0.562 -8.069 1.00 24.22 C ATOM 0 H LEU A 63 1.078 3.060 -5.977 1.00 74.24 H new ATOM 0 HA LEU A 63 1.094 0.157 -5.415 1.00 24.14 H new ATOM 0 HB2 LEU A 63 3.214 1.978 -6.640 1.00 2.03 H new ATOM 0 HB3 LEU A 63 3.390 0.253 -6.388 1.00 2.03 H new ATOM 0 HG LEU A 63 1.377 1.562 -8.246 1.00 51.30 H new ATOM 0 HD11 LEU A 63 2.772 0.623 -10.059 1.00 12.42 H new ATOM 0 HD12 LEU A 63 3.673 1.794 -9.066 1.00 12.42 H new ATOM 0 HD13 LEU A 63 3.943 0.048 -8.849 1.00 12.42 H new ATOM 0 HD21 LEU A 63 0.962 -0.724 -9.072 1.00 24.22 H new ATOM 0 HD22 LEU A 63 2.047 -1.367 -7.816 1.00 24.22 H new ATOM 0 HD23 LEU A 63 0.536 -0.550 -7.353 1.00 24.22 H new ATOM 994 N PHE A 64 2.875 0.232 -3.557 1.00 54.11 N ATOM 995 CA PHE A 64 3.680 0.305 -2.326 1.00 3.34 C ATOM 996 C PHE A 64 4.689 -0.864 -2.245 1.00 71.31 C ATOM 997 O PHE A 64 4.693 -1.641 -1.285 1.00 72.42 O ATOM 998 CB PHE A 64 2.760 0.337 -1.086 1.00 53.21 C ATOM 999 CG PHE A 64 1.832 -0.857 -0.959 1.00 65.04 C ATOM 1000 CD1 PHE A 64 0.810 -1.062 -1.878 1.00 20.12 C ATOM 1001 CD2 PHE A 64 1.985 -1.774 0.076 1.00 62.04 C ATOM 1002 CE1 PHE A 64 -0.032 -2.152 -1.771 1.00 0.22 C ATOM 1003 CE2 PHE A 64 1.141 -2.863 0.185 1.00 74.52 C ATOM 1004 CZ PHE A 64 0.136 -3.053 -0.740 1.00 65.53 C ATOM 0 H PHE A 64 2.741 -0.714 -3.914 1.00 54.11 H new ATOM 0 HA PHE A 64 4.257 1.229 -2.349 1.00 3.34 H new ATOM 0 HB2 PHE A 64 3.380 0.396 -0.191 1.00 53.21 H new ATOM 0 HB3 PHE A 64 2.159 1.246 -1.118 1.00 53.21 H new ATOM 0 HD1 PHE A 64 0.672 -0.360 -2.687 1.00 20.12 H new ATOM 0 HD2 PHE A 64 2.772 -1.633 0.802 1.00 62.04 H new ATOM 0 HE1 PHE A 64 -0.821 -2.299 -2.494 1.00 0.22 H new ATOM 0 HE2 PHE A 64 1.269 -3.566 0.995 1.00 74.52 H new ATOM 0 HZ PHE A 64 -0.520 -3.907 -0.657 1.00 65.53 H new ATOM 1014 N PRO A 65 5.591 -0.982 -3.248 1.00 25.20 N ATOM 1015 CA PRO A 65 6.562 -2.096 -3.337 1.00 40.31 C ATOM 1016 C PRO A 65 7.510 -2.181 -2.125 1.00 10.24 C ATOM 1017 O PRO A 65 8.188 -3.188 -1.925 1.00 22.13 O ATOM 1018 CB PRO A 65 7.354 -1.781 -4.622 1.00 4.40 C ATOM 1019 CG PRO A 65 6.485 -0.848 -5.395 1.00 15.13 C ATOM 1020 CD PRO A 65 5.746 -0.035 -4.371 1.00 64.31 C ATOM 0 HA PRO A 65 6.056 -3.061 -3.351 1.00 40.31 H new ATOM 0 HB2 PRO A 65 8.316 -1.323 -4.390 1.00 4.40 H new ATOM 0 HB3 PRO A 65 7.561 -2.688 -5.190 1.00 4.40 H new ATOM 0 HG2 PRO A 65 7.080 -0.209 -6.047 1.00 15.13 H new ATOM 0 HG3 PRO A 65 5.792 -1.397 -6.033 1.00 15.13 H new ATOM 0 HD2 PRO A 65 6.308 0.852 -4.077 1.00 64.31 H new ATOM 0 HD3 PRO A 65 4.782 0.308 -4.746 1.00 64.31 H new ATOM 1028 N SER A 66 7.551 -1.116 -1.326 1.00 44.55 N ATOM 1029 CA SER A 66 8.399 -1.067 -0.124 1.00 42.42 C ATOM 1030 C SER A 66 8.026 -2.161 0.899 1.00 43.51 C ATOM 1031 O SER A 66 8.809 -2.458 1.800 1.00 25.11 O ATOM 1032 CB SER A 66 8.303 0.316 0.531 1.00 23.32 C ATOM 1033 OG SER A 66 8.676 1.343 -0.377 1.00 1.32 O ATOM 0 H SER A 66 7.006 -0.269 -1.486 1.00 44.55 H new ATOM 0 HA SER A 66 9.425 -1.253 -0.442 1.00 42.42 H new ATOM 0 HB2 SER A 66 7.284 0.487 0.878 1.00 23.32 H new ATOM 0 HB3 SER A 66 8.949 0.351 1.409 1.00 23.32 H new ATOM 0 HG SER A 66 8.604 2.214 0.067 1.00 1.32 H new ATOM 1039 N ASN A 67 6.819 -2.725 0.773 1.00 62.32 N ATOM 1040 CA ASN A 67 6.407 -3.908 1.560 1.00 10.43 C ATOM 1041 C ASN A 67 6.419 -3.655 3.091 1.00 61.15 C ATOM 1042 O ASN A 67 6.578 -4.579 3.889 1.00 72.31 O ATOM 1043 CB ASN A 67 7.319 -5.093 1.192 1.00 1.41 C ATOM 1044 CG ASN A 67 6.782 -6.438 1.657 1.00 63.12 C ATOM 1045 OD1 ASN A 67 7.098 -6.912 2.743 1.00 45.22 O ATOM 1046 ND2 ASN A 67 5.971 -7.068 0.833 1.00 20.34 N ATOM 0 H ASN A 67 6.103 -2.384 0.132 1.00 62.32 H new ATOM 0 HA ASN A 67 5.372 -4.136 1.306 1.00 10.43 H new ATOM 0 HB2 ASN A 67 7.451 -5.118 0.110 1.00 1.41 H new ATOM 0 HB3 ASN A 67 8.304 -4.933 1.630 1.00 1.41 H new ATOM 0 HD21 ASN A 67 5.587 -7.977 1.091 1.00 20.34 H new ATOM 0 HD22 ASN A 67 5.727 -6.647 -0.064 1.00 20.34 H new ATOM 1053 N PHE A 68 6.185 -2.407 3.494 1.00 65.24 N ATOM 1054 CA PHE A 68 6.185 -2.026 4.924 1.00 41.30 C ATOM 1055 C PHE A 68 4.863 -2.397 5.638 1.00 42.24 C ATOM 1056 O PHE A 68 4.528 -1.823 6.677 1.00 0.44 O ATOM 1057 CB PHE A 68 6.441 -0.516 5.061 1.00 61.35 C ATOM 1058 CG PHE A 68 5.506 0.328 4.229 1.00 71.11 C ATOM 1059 CD1 PHE A 68 4.241 0.658 4.689 1.00 44.03 C ATOM 1060 CD2 PHE A 68 5.892 0.773 2.975 1.00 12.21 C ATOM 1061 CE1 PHE A 68 3.383 1.410 3.916 1.00 43.35 C ATOM 1062 CE2 PHE A 68 5.038 1.529 2.198 1.00 2.13 C ATOM 1063 CZ PHE A 68 3.783 1.846 2.670 1.00 24.00 C ATOM 0 H PHE A 68 5.992 -1.634 2.857 1.00 65.24 H new ATOM 0 HA PHE A 68 6.984 -2.589 5.407 1.00 41.30 H new ATOM 0 HB2 PHE A 68 6.341 -0.231 6.108 1.00 61.35 H new ATOM 0 HB3 PHE A 68 7.469 -0.301 4.769 1.00 61.35 H new ATOM 0 HD1 PHE A 68 3.924 0.322 5.665 1.00 44.03 H new ATOM 0 HD2 PHE A 68 6.874 0.525 2.601 1.00 12.21 H new ATOM 0 HE1 PHE A 68 2.399 1.658 4.285 1.00 43.35 H new ATOM 0 HE2 PHE A 68 5.352 1.871 1.223 1.00 2.13 H new ATOM 0 HZ PHE A 68 3.112 2.436 2.064 1.00 24.00 H new ATOM 1073 N VAL A 69 4.130 -3.363 5.094 1.00 12.22 N ATOM 1074 CA VAL A 69 2.845 -3.791 5.664 1.00 35.34 C ATOM 1075 C VAL A 69 2.876 -5.279 6.038 1.00 25.41 C ATOM 1076 O VAL A 69 3.772 -6.012 5.620 1.00 22.13 O ATOM 1077 CB VAL A 69 1.684 -3.550 4.664 1.00 2.33 C ATOM 1078 CG1 VAL A 69 1.537 -2.063 4.344 1.00 20.21 C ATOM 1079 CG2 VAL A 69 1.894 -4.365 3.387 1.00 53.34 C ATOM 0 H VAL A 69 4.402 -3.871 4.252 1.00 12.22 H new ATOM 0 HA VAL A 69 2.679 -3.196 6.562 1.00 35.34 H new ATOM 0 HB VAL A 69 0.758 -3.884 5.133 1.00 2.33 H new ATOM 0 HG11 VAL A 69 0.716 -1.922 3.641 1.00 20.21 H new ATOM 0 HG12 VAL A 69 1.328 -1.512 5.261 1.00 20.21 H new ATOM 0 HG13 VAL A 69 2.462 -1.693 3.901 1.00 20.21 H new ATOM 0 HG21 VAL A 69 1.069 -4.182 2.699 1.00 53.34 H new ATOM 0 HG22 VAL A 69 2.832 -4.069 2.916 1.00 53.34 H new ATOM 0 HG23 VAL A 69 1.931 -5.426 3.634 1.00 53.34 H new ATOM 1089 N THR A 70 1.895 -5.724 6.820 1.00 4.53 N ATOM 1090 CA THR A 70 1.797 -7.141 7.208 1.00 53.41 C ATOM 1091 C THR A 70 0.339 -7.589 7.374 1.00 11.33 C ATOM 1092 O THR A 70 -0.578 -6.768 7.403 1.00 61.31 O ATOM 1093 CB THR A 70 2.567 -7.438 8.522 1.00 20.43 C ATOM 1094 OG1 THR A 70 2.464 -8.834 8.857 1.00 5.54 O ATOM 1095 CG2 THR A 70 2.031 -6.596 9.679 1.00 60.32 C ATOM 0 H THR A 70 1.156 -5.132 7.199 1.00 4.53 H new ATOM 0 HA THR A 70 2.253 -7.705 6.394 1.00 53.41 H new ATOM 0 HB THR A 70 3.613 -7.179 8.359 1.00 20.43 H new ATOM 0 HG1 THR A 70 2.955 -9.008 9.687 1.00 5.54 H new ATOM 0 HG21 THR A 70 2.590 -6.826 10.586 1.00 60.32 H new ATOM 0 HG22 THR A 70 2.144 -5.538 9.442 1.00 60.32 H new ATOM 0 HG23 THR A 70 0.976 -6.822 9.836 1.00 60.32 H new ATOM 1103 N ALA A 71 0.131 -8.897 7.480 1.00 33.43 N ATOM 1104 CA ALA A 71 -1.212 -9.459 7.638 1.00 20.02 C ATOM 1105 C ALA A 71 -1.299 -10.361 8.877 1.00 2.04 C ATOM 1106 O ALA A 71 -0.476 -11.260 9.067 1.00 71.22 O ATOM 1107 CB ALA A 71 -1.605 -10.235 6.385 1.00 4.50 C ATOM 0 H ALA A 71 0.876 -9.593 7.460 1.00 33.43 H new ATOM 0 HA ALA A 71 -1.910 -8.634 7.780 1.00 20.02 H new ATOM 0 HB1 ALA A 71 -2.605 -10.649 6.512 1.00 4.50 H new ATOM 0 HB2 ALA A 71 -1.596 -9.566 5.525 1.00 4.50 H new ATOM 0 HB3 ALA A 71 -0.895 -11.046 6.221 1.00 4.50 H new ATOM 1113 N ASP A 72 -2.292 -10.105 9.726 1.00 11.20 N ATOM 1114 CA ASP A 72 -2.519 -10.915 10.933 1.00 75.44 C ATOM 1115 C ASP A 72 -3.372 -12.166 10.628 1.00 21.25 C ATOM 1116 O ASP A 72 -4.619 -12.081 10.701 1.00 39.07 O ATOM 1117 CB ASP A 72 -3.193 -10.058 12.013 1.00 3.01 C ATOM 1118 CG ASP A 72 -2.317 -8.907 12.468 1.00 0.33 C ATOM 1119 OD1 ASP A 72 -2.372 -7.828 11.844 1.00 64.24 O ATOM 1120 OD2 ASP A 72 -1.568 -9.077 13.456 1.00 40.41 O ATOM 1121 OXT ASP A 72 -2.788 -13.231 10.317 1.00 39.07 O ATOM 0 H ASP A 72 -2.957 -9.341 9.604 1.00 11.20 H new ATOM 0 HA ASP A 72 -1.551 -11.261 11.296 1.00 75.44 H new ATOM 0 HB2 ASP A 72 -4.133 -9.665 11.626 1.00 3.01 H new ATOM 0 HB3 ASP A 72 -3.438 -10.685 12.870 1.00 3.01 H new TER 1126 ASP A 72