USER MOD reduce.3.24.130724 H: found=0, std=0, add=927, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 927 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 18 MET CE :methyl -128:sc= -0.543 (180deg=-1.22) USER MOD Set 1.2: A 56 CYS SG : rot 180:sc= -0.283 USER MOD Set 1.3: A 60 SER OG : rot 80:sc= 0.669 USER MOD Set 2.1: A 47 HIS : no HD1:sc= -0.0527 X(o=-0.072,f=-0.045) USER MOD Set 2.2: A 48 GLN : amide:sc= -0.0192 X(o=-0.072,f=-0.079) USER MOD Single : A 1 MET CE :methyl 166:sc= -0.0525 (180deg=-0.35) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.145 X(o=-0.14,f=-0.0013) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.113 X(o=-0.11,f=-0.11) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 50:sc= 0.0543 USER MOD Single : A 10 HIS : no HD1:sc= -0.0228 X(o=-0.023,f=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc=-0.00381 X(o=-0.0038,f=-0.31) USER MOD Single : A 21 LYS NZ :NH3+ 171:sc= 0.165 (180deg=0.133) USER MOD Single : A 26 THR OG1 : rot 75:sc= 0.421 USER MOD Single : A 29 TYR OH : rot 53:sc= 0.37 USER MOD Single : A 33 SER OG : rot 180:sc= 0.0565 USER MOD Single : A 43 SER OG : rot 150:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -1.32 K(o=-1.3,f=-2!) USER MOD Single : A 58 THR OG1 : rot -3:sc= 1.17 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 115:sc= 0.599 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 ASN : amide:sc= -0.329 X(o=-0.33,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -0.361 X(o=-0.36,f=-0.23) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -140:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot -74:sc= 0.912 USER MOD Single : A 98 GLN : amide:sc= -0.553 K(o=-0.55,f=-4.2!) USER MOD Single : A 101 LYS NZ :NH3+ 163:sc= -0.0565 (180deg=-0.312) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 74:sc= 0.257 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -27.416 21.228 -8.037 1.00 60.42 N ATOM 2 CA MET A 1 -27.769 20.126 -8.944 1.00 12.10 C ATOM 3 C MET A 1 -27.104 20.327 -10.318 1.00 1.41 C ATOM 4 O MET A 1 -27.399 21.285 -11.039 1.00 55.31 O ATOM 5 CB MET A 1 -29.302 20.031 -9.072 1.00 52.24 C ATOM 6 CG MET A 1 -29.805 18.935 -10.024 1.00 43.10 C ATOM 7 SD MET A 1 -29.394 17.219 -9.550 1.00 70.25 S ATOM 8 CE MET A 1 -30.200 17.109 -7.966 1.00 13.52 C ATOM 0 H1 MET A 1 -27.872 21.078 -7.114 1.00 60.42 H new ATOM 0 H2 MET A 1 -26.384 21.258 -7.912 1.00 60.42 H new ATOM 0 H3 MET A 1 -27.742 22.129 -8.442 1.00 60.42 H new ATOM 0 HA MET A 1 -27.399 19.187 -8.533 1.00 12.10 H new ATOM 0 HB2 MET A 1 -29.724 19.855 -8.083 1.00 52.24 H new ATOM 0 HB3 MET A 1 -29.684 20.993 -9.415 1.00 52.24 H new ATOM 0 HG2 MET A 1 -30.889 19.020 -10.105 1.00 43.10 H new ATOM 0 HG3 MET A 1 -29.395 19.126 -11.016 1.00 43.10 H new ATOM 0 HE1 MET A 1 -30.258 16.065 -7.659 1.00 13.52 H new ATOM 0 HE2 MET A 1 -29.630 17.673 -7.228 1.00 13.52 H new ATOM 0 HE3 MET A 1 -31.206 17.522 -8.040 1.00 13.52 H new ATOM 20 N GLY A 2 -26.174 19.413 -10.664 1.00 63.42 N ATOM 21 CA GLY A 2 -25.533 19.414 -11.986 1.00 34.14 C ATOM 22 C GLY A 2 -24.485 20.511 -12.160 1.00 33.31 C ATOM 23 O GLY A 2 -24.331 21.379 -11.286 1.00 64.44 O ATOM 0 H GLY A 2 -25.854 18.668 -10.045 1.00 63.42 H new ATOM 0 HA2 GLY A 2 -25.063 18.445 -12.152 1.00 34.14 H new ATOM 0 HA3 GLY A 2 -26.300 19.532 -12.752 1.00 34.14 H new ATOM 27 N HIS A 3 -23.794 20.470 -13.323 1.00 20.11 N ATOM 28 CA HIS A 3 -22.776 21.464 -13.722 1.00 72.25 C ATOM 29 C HIS A 3 -21.690 21.577 -12.626 1.00 21.32 C ATOM 30 O HIS A 3 -21.620 22.573 -11.898 1.00 71.33 O ATOM 31 CB HIS A 3 -23.421 22.856 -14.052 1.00 20.43 C ATOM 32 CG HIS A 3 -24.464 22.838 -15.151 1.00 24.35 C ATOM 33 ND1 HIS A 3 -24.421 23.663 -16.260 1.00 60.32 N ATOM 34 CD2 HIS A 3 -25.608 22.118 -15.279 1.00 52.40 C ATOM 35 CE1 HIS A 3 -25.484 23.444 -17.012 1.00 52.15 C ATOM 36 NE2 HIS A 3 -26.220 22.519 -16.440 1.00 61.15 N ATOM 0 H HIS A 3 -23.931 19.736 -14.018 1.00 20.11 H new ATOM 0 HA HIS A 3 -22.300 21.120 -14.640 1.00 72.25 H new ATOM 0 HB2 HIS A 3 -23.879 23.251 -13.145 1.00 20.43 H new ATOM 0 HB3 HIS A 3 -22.628 23.548 -14.336 1.00 20.43 H new ATOM 0 HD2 HIS A 3 -25.970 21.367 -14.593 1.00 52.40 H new ATOM 0 HE1 HIS A 3 -25.711 23.943 -17.943 1.00 52.15 H new ATOM 0 HE2 HIS A 3 -27.103 22.157 -16.800 1.00 61.15 H new ATOM 45 N HIS A 4 -20.885 20.502 -12.477 1.00 72.51 N ATOM 46 CA HIS A 4 -19.931 20.369 -11.361 1.00 45.30 C ATOM 47 C HIS A 4 -18.695 21.271 -11.568 1.00 4.22 C ATOM 48 O HIS A 4 -17.698 20.866 -12.169 1.00 52.43 O ATOM 49 CB HIS A 4 -19.522 18.882 -11.159 1.00 2.01 C ATOM 50 CG HIS A 4 -20.681 17.956 -10.869 1.00 14.03 C ATOM 51 ND1 HIS A 4 -20.891 16.774 -11.547 1.00 61.03 N ATOM 52 CD2 HIS A 4 -21.691 18.047 -9.967 1.00 24.14 C ATOM 53 CE1 HIS A 4 -21.977 16.184 -11.081 1.00 24.22 C ATOM 54 NE2 HIS A 4 -22.478 16.934 -10.124 1.00 4.41 N ATOM 0 H HIS A 4 -20.880 19.711 -13.121 1.00 72.51 H new ATOM 0 HA HIS A 4 -20.428 20.706 -10.451 1.00 45.30 H new ATOM 0 HB2 HIS A 4 -19.008 18.533 -12.055 1.00 2.01 H new ATOM 0 HB3 HIS A 4 -18.808 18.821 -10.337 1.00 2.01 H new ATOM 0 HD2 HIS A 4 -21.846 18.847 -9.258 1.00 24.14 H new ATOM 0 HE1 HIS A 4 -22.384 15.245 -11.427 1.00 24.22 H new ATOM 0 HE2 HIS A 4 -23.317 16.722 -9.585 1.00 4.41 H new ATOM 63 N HIS A 5 -18.813 22.527 -11.095 1.00 62.44 N ATOM 64 CA HIS A 5 -17.684 23.479 -10.990 1.00 63.44 C ATOM 65 C HIS A 5 -17.724 24.123 -9.583 1.00 24.10 C ATOM 66 O HIS A 5 -17.304 25.266 -9.369 1.00 65.04 O ATOM 67 CB HIS A 5 -17.727 24.523 -12.151 1.00 13.54 C ATOM 68 CG HIS A 5 -16.525 25.448 -12.244 1.00 54.11 C ATOM 69 ND1 HIS A 5 -16.568 26.680 -12.860 1.00 53.11 N ATOM 70 CD2 HIS A 5 -15.249 25.316 -11.784 1.00 20.03 C ATOM 71 CE1 HIS A 5 -15.383 27.257 -12.782 1.00 3.41 C ATOM 72 NE2 HIS A 5 -14.569 26.452 -12.136 1.00 63.20 N ATOM 0 H HIS A 5 -19.700 22.915 -10.772 1.00 62.44 H new ATOM 0 HA HIS A 5 -16.730 22.963 -11.101 1.00 63.44 H new ATOM 0 HB2 HIS A 5 -17.825 23.987 -13.095 1.00 13.54 H new ATOM 0 HB3 HIS A 5 -18.624 25.132 -12.036 1.00 13.54 H new ATOM 0 HD2 HIS A 5 -14.848 24.472 -11.242 1.00 20.03 H new ATOM 0 HE1 HIS A 5 -15.126 28.227 -13.182 1.00 3.41 H new ATOM 0 HE2 HIS A 5 -13.588 26.643 -11.930 1.00 63.20 H new ATOM 81 N HIS A 6 -18.235 23.344 -8.616 1.00 10.00 N ATOM 82 CA HIS A 6 -18.149 23.656 -7.184 1.00 23.42 C ATOM 83 C HIS A 6 -17.510 22.463 -6.468 1.00 33.54 C ATOM 84 O HIS A 6 -17.873 21.310 -6.716 1.00 14.42 O ATOM 85 CB HIS A 6 -19.543 23.968 -6.571 1.00 54.32 C ATOM 86 CG HIS A 6 -19.485 24.334 -5.097 1.00 21.13 C ATOM 87 ND1 HIS A 6 -19.120 25.586 -4.653 1.00 11.32 N ATOM 88 CD2 HIS A 6 -19.705 23.598 -3.970 1.00 2.40 C ATOM 89 CE1 HIS A 6 -19.106 25.604 -3.333 1.00 63.21 C ATOM 90 NE2 HIS A 6 -19.455 24.413 -2.894 1.00 31.03 N ATOM 0 H HIS A 6 -18.724 22.471 -8.811 1.00 10.00 H new ATOM 0 HA HIS A 6 -17.540 24.551 -7.056 1.00 23.42 H new ATOM 0 HB2 HIS A 6 -20.000 24.789 -7.124 1.00 54.32 H new ATOM 0 HB3 HIS A 6 -20.190 23.100 -6.697 1.00 54.32 H new ATOM 0 HD2 HIS A 6 -20.018 22.565 -3.931 1.00 2.40 H new ATOM 0 HE1 HIS A 6 -18.851 26.453 -2.717 1.00 63.21 H new ATOM 0 HE2 HIS A 6 -19.528 24.140 -1.914 1.00 31.03 H new ATOM 99 N HIS A 7 -16.551 22.765 -5.596 1.00 11.34 N ATOM 100 CA HIS A 7 -15.903 21.791 -4.705 1.00 45.32 C ATOM 101 C HIS A 7 -15.650 22.458 -3.350 1.00 24.13 C ATOM 102 O HIS A 7 -15.962 23.647 -3.174 1.00 71.12 O ATOM 103 CB HIS A 7 -14.593 21.231 -5.343 1.00 23.42 C ATOM 104 CG HIS A 7 -13.737 22.256 -6.059 1.00 4.04 C ATOM 105 ND1 HIS A 7 -13.648 22.313 -7.433 1.00 62.21 N ATOM 106 CD2 HIS A 7 -12.935 23.252 -5.596 1.00 1.31 C ATOM 107 CE1 HIS A 7 -12.839 23.291 -7.787 1.00 12.41 C ATOM 108 NE2 HIS A 7 -12.392 23.881 -6.695 1.00 41.45 N ATOM 0 H HIS A 7 -16.191 23.713 -5.483 1.00 11.34 H new ATOM 0 HA HIS A 7 -16.558 20.933 -4.554 1.00 45.32 H new ATOM 0 HB2 HIS A 7 -13.996 20.766 -4.559 1.00 23.42 H new ATOM 0 HB3 HIS A 7 -14.859 20.445 -6.050 1.00 23.42 H new ATOM 0 HD2 HIS A 7 -12.757 23.503 -4.561 1.00 1.31 H new ATOM 0 HE1 HIS A 7 -12.585 23.564 -8.801 1.00 12.41 H new ATOM 0 HE2 HIS A 7 -11.750 24.673 -6.669 1.00 41.45 H new ATOM 117 N HIS A 8 -15.093 21.693 -2.399 1.00 31.35 N ATOM 118 CA HIS A 8 -14.812 22.195 -1.044 1.00 23.33 C ATOM 119 C HIS A 8 -13.640 23.189 -1.116 1.00 40.14 C ATOM 120 O HIS A 8 -12.480 22.782 -1.251 1.00 13.24 O ATOM 121 CB HIS A 8 -14.527 21.021 -0.077 1.00 33.02 C ATOM 122 CG HIS A 8 -15.680 20.038 0.006 1.00 60.43 C ATOM 123 ND1 HIS A 8 -16.844 20.307 0.699 1.00 21.11 N ATOM 124 CD2 HIS A 8 -15.865 18.816 -0.559 1.00 20.31 C ATOM 125 CE1 HIS A 8 -17.683 19.299 0.561 1.00 2.30 C ATOM 126 NE2 HIS A 8 -17.120 18.384 -0.201 1.00 60.22 N ATOM 0 H HIS A 8 -14.827 20.719 -2.544 1.00 31.35 H new ATOM 0 HA HIS A 8 -15.683 22.718 -0.649 1.00 23.33 H new ATOM 0 HB2 HIS A 8 -13.630 20.496 -0.404 1.00 33.02 H new ATOM 0 HB3 HIS A 8 -14.320 21.417 0.917 1.00 33.02 H new ATOM 0 HD2 HIS A 8 -15.157 18.283 -1.176 1.00 20.31 H new ATOM 0 HE1 HIS A 8 -18.668 19.234 1.000 1.00 2.30 H new ATOM 0 HE2 HIS A 8 -17.545 17.500 -0.480 1.00 60.22 H new ATOM 135 N SER A 9 -13.985 24.493 -1.096 1.00 12.21 N ATOM 136 CA SER A 9 -13.043 25.602 -1.328 1.00 34.43 C ATOM 137 C SER A 9 -12.101 25.817 -0.116 1.00 5.43 C ATOM 138 O SER A 9 -12.331 26.678 0.736 1.00 24.15 O ATOM 139 CB SER A 9 -13.845 26.881 -1.691 1.00 3.14 C ATOM 140 OG SER A 9 -14.879 27.130 -0.745 1.00 20.41 O ATOM 0 H SER A 9 -14.939 24.807 -0.916 1.00 12.21 H new ATOM 0 HA SER A 9 -12.392 25.353 -2.166 1.00 34.43 H new ATOM 0 HB2 SER A 9 -13.171 27.737 -1.729 1.00 3.14 H new ATOM 0 HB3 SER A 9 -14.278 26.771 -2.685 1.00 3.14 H new ATOM 0 HG SER A 9 -14.509 27.092 0.162 1.00 20.41 H new ATOM 146 N HIS A 10 -11.084 24.951 -0.047 1.00 53.14 N ATOM 147 CA HIS A 10 -9.969 24.983 0.915 1.00 2.33 C ATOM 148 C HIS A 10 -8.838 24.140 0.310 1.00 4.43 C ATOM 149 O HIS A 10 -9.074 23.337 -0.609 1.00 61.02 O ATOM 150 CB HIS A 10 -10.367 24.402 2.318 1.00 74.44 C ATOM 151 CG HIS A 10 -11.076 25.359 3.254 1.00 11.43 C ATOM 152 ND1 HIS A 10 -12.184 25.009 4.000 1.00 23.43 N ATOM 153 CD2 HIS A 10 -10.791 26.640 3.600 1.00 14.31 C ATOM 154 CE1 HIS A 10 -12.546 26.025 4.758 1.00 11.12 C ATOM 155 NE2 HIS A 10 -11.718 27.030 4.538 1.00 11.43 N ATOM 0 H HIS A 10 -11.010 24.166 -0.694 1.00 53.14 H new ATOM 0 HA HIS A 10 -9.668 26.017 1.084 1.00 2.33 H new ATOM 0 HB2 HIS A 10 -11.009 23.535 2.162 1.00 74.44 H new ATOM 0 HB3 HIS A 10 -9.463 24.045 2.811 1.00 74.44 H new ATOM 0 HD2 HIS A 10 -9.984 27.243 3.210 1.00 14.31 H new ATOM 0 HE1 HIS A 10 -13.380 26.034 5.444 1.00 11.12 H new ATOM 0 HE2 HIS A 10 -11.759 27.944 4.989 1.00 11.43 H new ATOM 164 N MET A 11 -7.613 24.328 0.800 1.00 61.33 N ATOM 165 CA MET A 11 -6.481 23.443 0.475 1.00 61.01 C ATOM 166 C MET A 11 -6.007 22.739 1.762 1.00 12.34 C ATOM 167 O MET A 11 -5.216 23.314 2.522 1.00 34.43 O ATOM 168 CB MET A 11 -5.326 24.228 -0.219 1.00 33.41 C ATOM 169 CG MET A 11 -5.660 24.700 -1.642 1.00 1.35 C ATOM 170 SD MET A 11 -4.283 25.554 -2.441 1.00 44.00 S ATOM 171 CE MET A 11 -4.925 25.790 -4.100 1.00 40.25 C ATOM 0 H MET A 11 -7.372 25.092 1.431 1.00 61.33 H new ATOM 0 HA MET A 11 -6.808 22.686 -0.238 1.00 61.01 H new ATOM 0 HB2 MET A 11 -5.072 25.095 0.390 1.00 33.41 H new ATOM 0 HB3 MET A 11 -4.440 23.594 -0.256 1.00 33.41 H new ATOM 0 HG2 MET A 11 -5.947 23.840 -2.247 1.00 1.35 H new ATOM 0 HG3 MET A 11 -6.522 25.366 -1.605 1.00 1.35 H new ATOM 0 HE1 MET A 11 -4.182 26.306 -4.708 1.00 40.25 H new ATOM 0 HE2 MET A 11 -5.148 24.820 -4.545 1.00 40.25 H new ATOM 0 HE3 MET A 11 -5.836 26.387 -4.056 1.00 40.25 H new ATOM 181 N PRO A 12 -6.532 21.496 2.064 1.00 23.03 N ATOM 182 CA PRO A 12 -6.082 20.699 3.231 1.00 72.23 C ATOM 183 C PRO A 12 -4.684 20.098 2.998 1.00 42.51 C ATOM 184 O PRO A 12 -4.233 19.977 1.851 1.00 60.40 O ATOM 185 CB PRO A 12 -7.169 19.593 3.339 1.00 22.25 C ATOM 186 CG PRO A 12 -7.634 19.392 1.928 1.00 71.43 C ATOM 187 CD PRO A 12 -7.604 20.775 1.299 1.00 32.34 C ATOM 0 HA PRO A 12 -5.983 21.290 4.141 1.00 72.23 H new ATOM 0 HB2 PRO A 12 -6.761 18.673 3.758 1.00 22.25 H new ATOM 0 HB3 PRO A 12 -7.988 19.903 3.988 1.00 22.25 H new ATOM 0 HG2 PRO A 12 -6.982 18.702 1.393 1.00 71.43 H new ATOM 0 HG3 PRO A 12 -8.638 18.968 1.901 1.00 71.43 H new ATOM 0 HD2 PRO A 12 -7.371 20.725 0.235 1.00 32.34 H new ATOM 0 HD3 PRO A 12 -8.567 21.277 1.391 1.00 32.34 H new ATOM 195 N LYS A 13 -3.990 19.744 4.089 1.00 14.52 N ATOM 196 CA LYS A 13 -2.705 19.045 4.003 1.00 42.00 C ATOM 197 C LYS A 13 -2.947 17.531 4.023 1.00 25.43 C ATOM 198 O LYS A 13 -2.951 16.904 5.092 1.00 51.24 O ATOM 199 CB LYS A 13 -1.742 19.464 5.148 1.00 62.25 C ATOM 200 CG LYS A 13 -1.273 20.934 5.105 1.00 11.22 C ATOM 201 CD LYS A 13 -0.152 21.202 6.132 1.00 12.11 C ATOM 202 CE LYS A 13 0.356 22.649 6.108 1.00 61.53 C ATOM 203 NZ LYS A 13 1.518 22.822 7.015 1.00 35.43 N ATOM 0 H LYS A 13 -4.300 19.932 5.042 1.00 14.52 H new ATOM 0 HA LYS A 13 -2.224 19.324 3.066 1.00 42.00 H new ATOM 0 HB2 LYS A 13 -2.238 19.285 6.102 1.00 62.25 H new ATOM 0 HB3 LYS A 13 -0.865 18.818 5.118 1.00 62.25 H new ATOM 0 HG2 LYS A 13 -0.915 21.173 4.104 1.00 11.22 H new ATOM 0 HG3 LYS A 13 -2.118 21.592 5.307 1.00 11.22 H new ATOM 0 HD2 LYS A 13 -0.520 20.970 7.131 1.00 12.11 H new ATOM 0 HD3 LYS A 13 0.681 20.528 5.935 1.00 12.11 H new ATOM 0 HE2 LYS A 13 0.640 22.921 5.092 1.00 61.53 H new ATOM 0 HE3 LYS A 13 -0.446 23.324 6.406 1.00 61.53 H new ATOM 0 HZ1 LYS A 13 1.842 23.810 6.980 1.00 35.43 H new ATOM 0 HZ2 LYS A 13 1.238 22.584 7.988 1.00 35.43 H new ATOM 0 HZ3 LYS A 13 2.290 22.194 6.714 1.00 35.43 H new ATOM 217 N ALA A 14 -3.233 16.968 2.839 1.00 34.04 N ATOM 218 CA ALA A 14 -3.244 15.519 2.646 1.00 62.23 C ATOM 219 C ALA A 14 -1.793 15.028 2.672 1.00 62.01 C ATOM 220 O ALA A 14 -1.416 14.279 3.568 1.00 22.31 O ATOM 221 CB ALA A 14 -3.948 15.145 1.327 1.00 12.21 C ATOM 0 H ALA A 14 -3.460 17.502 2.000 1.00 34.04 H new ATOM 0 HA ALA A 14 -3.806 15.035 3.445 1.00 62.23 H new ATOM 0 HB1 ALA A 14 -3.943 14.062 1.206 1.00 12.21 H new ATOM 0 HB2 ALA A 14 -4.977 15.503 1.350 1.00 12.21 H new ATOM 0 HB3 ALA A 14 -3.422 15.606 0.491 1.00 12.21 H new ATOM 227 N THR A 15 -0.981 15.601 1.748 1.00 12.02 N ATOM 228 CA THR A 15 0.406 15.179 1.455 1.00 42.03 C ATOM 229 C THR A 15 1.259 14.944 2.721 1.00 2.24 C ATOM 230 O THR A 15 1.819 13.860 2.879 1.00 11.13 O ATOM 231 CB THR A 15 1.121 16.235 0.544 1.00 23.24 C ATOM 232 OG1 THR A 15 0.320 16.479 -0.628 1.00 32.45 O ATOM 233 CG2 THR A 15 2.544 15.781 0.123 1.00 51.42 C ATOM 0 H THR A 15 -1.283 16.388 1.174 1.00 12.02 H new ATOM 0 HA THR A 15 0.322 14.223 0.938 1.00 42.03 H new ATOM 0 HB THR A 15 1.231 17.152 1.123 1.00 23.24 H new ATOM 0 HG1 THR A 15 0.766 17.141 -1.197 1.00 32.45 H new ATOM 0 HG21 THR A 15 2.998 16.546 -0.507 1.00 51.42 H new ATOM 0 HG22 THR A 15 3.156 15.632 1.012 1.00 51.42 H new ATOM 0 HG23 THR A 15 2.478 14.845 -0.432 1.00 51.42 H new ATOM 241 N ALA A 16 1.325 15.958 3.612 1.00 64.30 N ATOM 242 CA ALA A 16 2.219 15.931 4.796 1.00 52.21 C ATOM 243 C ALA A 16 1.876 14.763 5.745 1.00 62.14 C ATOM 244 O ALA A 16 2.661 13.824 5.874 1.00 54.21 O ATOM 245 CB ALA A 16 2.179 17.279 5.546 1.00 1.53 C ATOM 0 H ALA A 16 0.768 16.809 3.535 1.00 64.30 H new ATOM 0 HA ALA A 16 3.235 15.770 4.434 1.00 52.21 H new ATOM 0 HB1 ALA A 16 2.842 17.235 6.410 1.00 1.53 H new ATOM 0 HB2 ALA A 16 2.505 18.077 4.879 1.00 1.53 H new ATOM 0 HB3 ALA A 16 1.161 17.479 5.880 1.00 1.53 H new ATOM 251 N GLN A 17 0.660 14.796 6.323 1.00 15.20 N ATOM 252 CA GLN A 17 0.214 13.810 7.338 1.00 52.54 C ATOM 253 C GLN A 17 0.136 12.380 6.747 1.00 15.33 C ATOM 254 O GLN A 17 0.430 11.397 7.441 1.00 14.10 O ATOM 255 CB GLN A 17 -1.160 14.245 7.921 1.00 31.03 C ATOM 256 CG GLN A 17 -1.138 15.596 8.664 1.00 12.31 C ATOM 257 CD GLN A 17 -0.276 15.586 9.931 1.00 12.51 C ATOM 258 OE1 GLN A 17 -0.155 14.573 10.631 1.00 31.20 O ATOM 259 NE2 GLN A 17 0.336 16.716 10.234 1.00 64.34 N ATOM 0 H GLN A 17 -0.042 15.503 6.103 1.00 15.20 H new ATOM 0 HA GLN A 17 0.951 13.785 8.141 1.00 52.54 H new ATOM 0 HB2 GLN A 17 -1.884 14.303 7.108 1.00 31.03 H new ATOM 0 HB3 GLN A 17 -1.511 13.473 8.606 1.00 31.03 H new ATOM 0 HG2 GLN A 17 -0.767 16.367 7.988 1.00 12.31 H new ATOM 0 HG3 GLN A 17 -2.158 15.871 8.931 1.00 12.31 H new ATOM 0 HE21 GLN A 17 0.218 17.536 9.638 1.00 64.34 H new ATOM 0 HE22 GLN A 17 0.927 16.769 11.064 1.00 64.34 H new ATOM 268 N MET A 18 -0.243 12.307 5.446 1.00 42.23 N ATOM 269 CA MET A 18 -0.320 11.049 4.658 1.00 2.44 C ATOM 270 C MET A 18 1.071 10.419 4.557 1.00 70.14 C ATOM 271 O MET A 18 1.240 9.271 4.905 1.00 22.22 O ATOM 272 CB MET A 18 -0.915 11.330 3.236 1.00 34.23 C ATOM 273 CG MET A 18 -1.024 10.132 2.274 1.00 2.25 C ATOM 274 SD MET A 18 0.553 9.644 1.535 1.00 43.40 S ATOM 275 CE MET A 18 0.997 11.148 0.652 1.00 24.52 C ATOM 0 H MET A 18 -0.508 13.131 4.907 1.00 42.23 H new ATOM 0 HA MET A 18 -0.983 10.348 5.164 1.00 2.44 H new ATOM 0 HB2 MET A 18 -1.911 11.754 3.363 1.00 34.23 H new ATOM 0 HB3 MET A 18 -0.302 12.094 2.757 1.00 34.23 H new ATOM 0 HG2 MET A 18 -1.441 9.281 2.814 1.00 2.25 H new ATOM 0 HG3 MET A 18 -1.726 10.380 1.478 1.00 2.25 H new ATOM 0 HE1 MET A 18 1.227 10.906 -0.386 1.00 24.52 H new ATOM 0 HE2 MET A 18 0.163 11.849 0.685 1.00 24.52 H new ATOM 0 HE3 MET A 18 1.870 11.601 1.121 1.00 24.52 H new ATOM 285 N GLU A 19 2.061 11.219 4.126 1.00 53.13 N ATOM 286 CA GLU A 19 3.456 10.768 3.883 1.00 1.03 C ATOM 287 C GLU A 19 4.188 10.447 5.204 1.00 73.24 C ATOM 288 O GLU A 19 5.048 9.556 5.236 1.00 11.51 O ATOM 289 CB GLU A 19 4.183 11.834 2.982 1.00 45.31 C ATOM 290 CG GLU A 19 5.705 12.039 3.175 1.00 34.11 C ATOM 291 CD GLU A 19 6.049 13.127 4.214 1.00 11.54 C ATOM 292 OE1 GLU A 19 5.942 14.324 3.887 1.00 23.12 O ATOM 293 OE2 GLU A 19 6.453 12.793 5.345 1.00 11.03 O ATOM 0 H GLU A 19 1.921 12.211 3.932 1.00 53.13 H new ATOM 0 HA GLU A 19 3.459 9.824 3.338 1.00 1.03 H new ATOM 0 HB2 GLU A 19 4.013 11.561 1.940 1.00 45.31 H new ATOM 0 HB3 GLU A 19 3.695 12.795 3.143 1.00 45.31 H new ATOM 0 HG2 GLU A 19 6.155 11.096 3.485 1.00 34.11 H new ATOM 0 HG3 GLU A 19 6.153 12.306 2.218 1.00 34.11 H new ATOM 300 N GLU A 20 3.828 11.158 6.292 1.00 3.12 N ATOM 301 CA GLU A 20 4.344 10.873 7.650 1.00 14.11 C ATOM 302 C GLU A 20 3.793 9.525 8.139 1.00 12.41 C ATOM 303 O GLU A 20 4.526 8.700 8.696 1.00 44.12 O ATOM 304 CB GLU A 20 3.959 12.000 8.652 1.00 54.12 C ATOM 305 CG GLU A 20 4.536 13.393 8.318 1.00 63.23 C ATOM 306 CD GLU A 20 4.121 14.495 9.311 1.00 42.11 C ATOM 307 OE1 GLU A 20 2.914 14.794 9.411 1.00 2.42 O ATOM 308 OE2 GLU A 20 4.996 15.055 10.017 1.00 54.24 O ATOM 0 H GLU A 20 3.176 11.941 6.257 1.00 3.12 H new ATOM 0 HA GLU A 20 5.432 10.828 7.599 1.00 14.11 H new ATOM 0 HB2 GLU A 20 2.872 12.074 8.693 1.00 54.12 H new ATOM 0 HB3 GLU A 20 4.297 11.712 9.647 1.00 54.12 H new ATOM 0 HG2 GLU A 20 5.624 13.329 8.295 1.00 63.23 H new ATOM 0 HG3 GLU A 20 4.213 13.679 7.317 1.00 63.23 H new ATOM 315 N LYS A 21 2.482 9.317 7.929 1.00 30.35 N ATOM 316 CA LYS A 21 1.802 8.060 8.294 1.00 3.12 C ATOM 317 C LYS A 21 2.204 6.926 7.319 1.00 21.35 C ATOM 318 O LYS A 21 2.157 5.750 7.674 1.00 72.23 O ATOM 319 CB LYS A 21 0.260 8.277 8.332 1.00 72.23 C ATOM 320 CG LYS A 21 -0.537 7.217 9.128 1.00 14.11 C ATOM 321 CD LYS A 21 -0.121 7.160 10.619 1.00 75.45 C ATOM 322 CE LYS A 21 -0.999 6.210 11.454 1.00 33.41 C ATOM 323 NZ LYS A 21 -0.484 6.072 12.843 1.00 13.14 N ATOM 0 H LYS A 21 1.866 10.010 7.504 1.00 30.35 H new ATOM 0 HA LYS A 21 2.117 7.756 9.292 1.00 3.12 H new ATOM 0 HB2 LYS A 21 0.058 9.258 8.762 1.00 72.23 H new ATOM 0 HB3 LYS A 21 -0.113 8.295 7.308 1.00 72.23 H new ATOM 0 HG2 LYS A 21 -1.602 7.440 9.059 1.00 14.11 H new ATOM 0 HG3 LYS A 21 -0.387 6.237 8.674 1.00 14.11 H new ATOM 0 HD2 LYS A 21 0.919 6.840 10.688 1.00 75.45 H new ATOM 0 HD3 LYS A 21 -0.175 8.162 11.044 1.00 75.45 H new ATOM 0 HE2 LYS A 21 -2.022 6.586 11.480 1.00 33.41 H new ATOM 0 HE3 LYS A 21 -1.032 5.230 10.978 1.00 33.41 H new ATOM 0 HZ1 LYS A 21 -1.176 5.552 13.420 1.00 13.14 H new ATOM 0 HZ2 LYS A 21 0.416 5.552 12.829 1.00 13.14 H new ATOM 0 HZ3 LYS A 21 -0.332 7.016 13.252 1.00 13.14 H new ATOM 337 N LEU A 22 2.636 7.312 6.106 1.00 35.51 N ATOM 338 CA LEU A 22 3.135 6.384 5.072 1.00 64.02 C ATOM 339 C LEU A 22 4.542 5.918 5.479 1.00 61.12 C ATOM 340 O LEU A 22 4.912 4.772 5.250 1.00 64.10 O ATOM 341 CB LEU A 22 3.108 7.078 3.668 1.00 22.53 C ATOM 342 CG LEU A 22 3.051 6.168 2.392 1.00 60.12 C ATOM 343 CD1 LEU A 22 2.686 6.999 1.142 1.00 21.45 C ATOM 344 CD2 LEU A 22 4.359 5.377 2.163 1.00 75.41 C ATOM 0 H LEU A 22 2.649 8.288 5.811 1.00 35.51 H new ATOM 0 HA LEU A 22 2.495 5.505 4.993 1.00 64.02 H new ATOM 0 HB2 LEU A 22 2.244 7.743 3.642 1.00 22.53 H new ATOM 0 HB3 LEU A 22 3.996 7.706 3.590 1.00 22.53 H new ATOM 0 HG LEU A 22 2.266 5.432 2.566 1.00 60.12 H new ATOM 0 HD11 LEU A 22 2.652 6.347 0.269 1.00 21.45 H new ATOM 0 HD12 LEU A 22 1.711 7.464 1.286 1.00 21.45 H new ATOM 0 HD13 LEU A 22 3.437 7.773 0.988 1.00 21.45 H new ATOM 0 HD21 LEU A 22 4.262 4.765 1.266 1.00 75.41 H new ATOM 0 HD22 LEU A 22 5.188 6.073 2.039 1.00 75.41 H new ATOM 0 HD23 LEU A 22 4.551 4.734 3.022 1.00 75.41 H new ATOM 356 N ARG A 23 5.310 6.820 6.113 1.00 14.02 N ATOM 357 CA ARG A 23 6.584 6.461 6.755 1.00 42.21 C ATOM 358 C ARG A 23 6.322 5.476 7.911 1.00 22.10 C ATOM 359 O ARG A 23 6.932 4.409 7.961 1.00 32.03 O ATOM 360 CB ARG A 23 7.352 7.731 7.227 1.00 32.34 C ATOM 361 CG ARG A 23 8.074 8.484 6.084 1.00 5.23 C ATOM 362 CD ARG A 23 8.946 9.659 6.562 1.00 22.10 C ATOM 363 NE ARG A 23 8.173 10.885 6.851 1.00 50.43 N ATOM 364 CZ ARG A 23 8.399 11.729 7.873 1.00 55.43 C ATOM 365 NH1 ARG A 23 9.361 11.490 8.759 1.00 33.15 N ATOM 366 NH2 ARG A 23 7.704 12.852 7.955 1.00 4.21 N ATOM 0 H ARG A 23 5.068 7.808 6.194 1.00 14.02 H new ATOM 0 HA ARG A 23 7.225 5.965 6.027 1.00 42.21 H new ATOM 0 HB2 ARG A 23 6.650 8.410 7.711 1.00 32.34 H new ATOM 0 HB3 ARG A 23 8.086 7.442 7.980 1.00 32.34 H new ATOM 0 HG2 ARG A 23 8.700 7.779 5.537 1.00 5.23 H new ATOM 0 HG3 ARG A 23 7.329 8.860 5.383 1.00 5.23 H new ATOM 0 HD2 ARG A 23 9.486 9.359 7.460 1.00 22.10 H new ATOM 0 HD3 ARG A 23 9.693 9.881 5.800 1.00 22.10 H new ATOM 0 HE ARG A 23 7.403 11.110 6.222 1.00 50.43 H new ATOM 0 HH11 ARG A 23 9.941 10.656 8.669 1.00 33.15 H new ATOM 0 HH12 ARG A 23 9.519 12.141 9.528 1.00 33.15 H new ATOM 0 HH21 ARG A 23 7.004 13.071 7.247 1.00 4.21 H new ATOM 0 HH22 ARG A 23 7.868 13.498 8.727 1.00 4.21 H new ATOM 380 N ASP A 24 5.349 5.823 8.785 1.00 43.14 N ATOM 381 CA ASP A 24 4.902 4.958 9.915 1.00 35.44 C ATOM 382 C ASP A 24 4.464 3.559 9.424 1.00 13.22 C ATOM 383 O ASP A 24 4.660 2.558 10.114 1.00 60.32 O ATOM 384 CB ASP A 24 3.746 5.650 10.683 1.00 41.44 C ATOM 385 CG ASP A 24 3.204 4.835 11.875 1.00 52.54 C ATOM 386 OD1 ASP A 24 3.958 4.624 12.852 1.00 42.02 O ATOM 387 OD2 ASP A 24 2.015 4.434 11.858 1.00 2.33 O ATOM 0 H ASP A 24 4.848 6.710 8.731 1.00 43.14 H new ATOM 0 HA ASP A 24 5.748 4.817 10.588 1.00 35.44 H new ATOM 0 HB2 ASP A 24 4.093 6.617 11.046 1.00 41.44 H new ATOM 0 HB3 ASP A 24 2.929 5.845 9.989 1.00 41.44 H new ATOM 392 N PHE A 25 3.874 3.517 8.220 1.00 30.52 N ATOM 393 CA PHE A 25 3.558 2.265 7.525 1.00 22.22 C ATOM 394 C PHE A 25 4.868 1.511 7.200 1.00 34.00 C ATOM 395 O PHE A 25 5.181 0.489 7.820 1.00 1.21 O ATOM 396 CB PHE A 25 2.744 2.588 6.232 1.00 73.25 C ATOM 397 CG PHE A 25 2.332 1.385 5.386 1.00 72.45 C ATOM 398 CD1 PHE A 25 1.192 0.654 5.703 1.00 75.32 C ATOM 399 CD2 PHE A 25 3.083 0.982 4.277 1.00 2.51 C ATOM 400 CE1 PHE A 25 0.816 -0.437 4.947 1.00 54.12 C ATOM 401 CE2 PHE A 25 2.703 -0.111 3.521 1.00 14.13 C ATOM 402 CZ PHE A 25 1.567 -0.821 3.859 1.00 20.22 C ATOM 0 H PHE A 25 3.603 4.353 7.702 1.00 30.52 H new ATOM 0 HA PHE A 25 2.949 1.621 8.159 1.00 22.22 H new ATOM 0 HB2 PHE A 25 1.844 3.132 6.519 1.00 73.25 H new ATOM 0 HB3 PHE A 25 3.337 3.259 5.611 1.00 73.25 H new ATOM 0 HD1 PHE A 25 0.593 0.945 6.553 1.00 75.32 H new ATOM 0 HD2 PHE A 25 3.972 1.533 4.008 1.00 2.51 H new ATOM 0 HE1 PHE A 25 -0.072 -0.993 5.210 1.00 54.12 H new ATOM 0 HE2 PHE A 25 3.293 -0.410 2.667 1.00 14.13 H new ATOM 0 HZ PHE A 25 1.269 -1.676 3.271 1.00 20.22 H new ATOM 412 N THR A 26 5.675 2.124 6.320 1.00 71.23 N ATOM 413 CA THR A 26 6.788 1.463 5.614 1.00 10.23 C ATOM 414 C THR A 26 7.965 1.036 6.544 1.00 52.25 C ATOM 415 O THR A 26 8.674 0.073 6.226 1.00 71.30 O ATOM 416 CB THR A 26 7.308 2.400 4.474 1.00 43.33 C ATOM 417 OG1 THR A 26 6.195 2.870 3.693 1.00 41.14 O ATOM 418 CG2 THR A 26 8.293 1.697 3.535 1.00 72.15 C ATOM 0 H THR A 26 5.572 3.109 6.074 1.00 71.23 H new ATOM 0 HA THR A 26 6.390 0.537 5.199 1.00 10.23 H new ATOM 0 HB THR A 26 7.831 3.226 4.957 1.00 43.33 H new ATOM 0 HG1 THR A 26 5.712 3.560 4.194 1.00 41.14 H new ATOM 0 HG21 THR A 26 8.621 2.394 2.764 1.00 72.15 H new ATOM 0 HG22 THR A 26 9.157 1.353 4.105 1.00 72.15 H new ATOM 0 HG23 THR A 26 7.803 0.843 3.068 1.00 72.15 H new ATOM 426 N ARG A 27 8.150 1.738 7.693 1.00 32.13 N ATOM 427 CA ARG A 27 9.284 1.480 8.631 1.00 52.23 C ATOM 428 C ARG A 27 9.319 0.026 9.139 1.00 21.12 C ATOM 429 O ARG A 27 10.398 -0.554 9.306 1.00 32.23 O ATOM 430 CB ARG A 27 9.235 2.390 9.889 1.00 4.41 C ATOM 431 CG ARG A 27 9.443 3.901 9.678 1.00 50.24 C ATOM 432 CD ARG A 27 9.725 4.634 11.008 1.00 12.33 C ATOM 433 NE ARG A 27 8.748 4.302 12.083 1.00 34.00 N ATOM 434 CZ ARG A 27 8.982 3.488 13.140 1.00 34.41 C ATOM 435 NH1 ARG A 27 10.162 2.887 13.289 1.00 62.23 N ATOM 436 NH2 ARG A 27 8.038 3.282 14.045 1.00 14.12 N ATOM 0 H ARG A 27 7.529 2.489 7.995 1.00 32.13 H new ATOM 0 HA ARG A 27 10.173 1.695 8.038 1.00 52.23 H new ATOM 0 HB2 ARG A 27 8.268 2.247 10.371 1.00 4.41 H new ATOM 0 HB3 ARG A 27 9.994 2.040 10.588 1.00 4.41 H new ATOM 0 HG2 ARG A 27 10.275 4.061 8.992 1.00 50.24 H new ATOM 0 HG3 ARG A 27 8.556 4.328 9.209 1.00 50.24 H new ATOM 0 HD2 ARG A 27 10.729 4.381 11.348 1.00 12.33 H new ATOM 0 HD3 ARG A 27 9.710 5.710 10.832 1.00 12.33 H new ATOM 0 HE ARG A 27 7.822 4.725 12.017 1.00 34.00 H new ATOM 0 HH11 ARG A 27 10.901 3.038 12.603 1.00 62.23 H new ATOM 0 HH12 ARG A 27 10.326 2.276 14.089 1.00 62.23 H new ATOM 0 HH21 ARG A 27 7.130 3.737 13.948 1.00 14.12 H new ATOM 0 HH22 ARG A 27 8.218 2.668 14.839 1.00 14.12 H new ATOM 450 N ALA A 28 8.130 -0.535 9.390 1.00 54.10 N ATOM 451 CA ALA A 28 7.978 -1.795 10.150 1.00 52.21 C ATOM 452 C ALA A 28 8.493 -3.035 9.382 1.00 45.11 C ATOM 453 O ALA A 28 8.669 -4.106 9.979 1.00 50.33 O ATOM 454 CB ALA A 28 6.507 -1.975 10.552 1.00 21.42 C ATOM 0 H ALA A 28 7.246 -0.135 9.076 1.00 54.10 H new ATOM 0 HA ALA A 28 8.600 -1.715 11.041 1.00 52.21 H new ATOM 0 HB1 ALA A 28 6.394 -2.903 11.112 1.00 21.42 H new ATOM 0 HB2 ALA A 28 6.194 -1.136 11.173 1.00 21.42 H new ATOM 0 HB3 ALA A 28 5.887 -2.014 9.656 1.00 21.42 H new ATOM 460 N TYR A 29 8.737 -2.884 8.062 1.00 61.42 N ATOM 461 CA TYR A 29 9.082 -4.013 7.163 1.00 61.15 C ATOM 462 C TYR A 29 9.898 -3.549 5.948 1.00 15.35 C ATOM 463 O TYR A 29 10.085 -2.354 5.701 1.00 14.00 O ATOM 464 CB TYR A 29 7.791 -4.789 6.716 1.00 14.25 C ATOM 465 CG TYR A 29 6.517 -3.938 6.707 1.00 34.41 C ATOM 466 CD1 TYR A 29 6.415 -2.803 5.902 1.00 11.33 C ATOM 467 CD2 TYR A 29 5.435 -4.242 7.541 1.00 74.43 C ATOM 468 CE1 TYR A 29 5.302 -2.007 5.937 1.00 13.42 C ATOM 469 CE2 TYR A 29 4.317 -3.448 7.565 1.00 65.53 C ATOM 470 CZ TYR A 29 4.257 -2.334 6.760 1.00 12.33 C ATOM 471 OH TYR A 29 3.167 -1.515 6.812 1.00 13.21 O ATOM 0 H TYR A 29 8.701 -1.981 7.589 1.00 61.42 H new ATOM 0 HA TYR A 29 9.712 -4.699 7.729 1.00 61.15 H new ATOM 0 HB2 TYR A 29 7.952 -5.193 5.716 1.00 14.25 H new ATOM 0 HB3 TYR A 29 7.642 -5.638 7.383 1.00 14.25 H new ATOM 0 HD1 TYR A 29 7.229 -2.548 5.239 1.00 11.33 H new ATOM 0 HD2 TYR A 29 5.481 -5.115 8.175 1.00 74.43 H new ATOM 0 HE1 TYR A 29 5.248 -1.124 5.318 1.00 13.42 H new ATOM 0 HE2 TYR A 29 3.489 -3.696 8.212 1.00 65.53 H new ATOM 0 HH TYR A 29 2.833 -1.357 5.904 1.00 13.21 H new ATOM 481 N GLU A 30 10.384 -4.554 5.211 1.00 54.14 N ATOM 482 CA GLU A 30 11.266 -4.402 4.044 1.00 60.52 C ATOM 483 C GLU A 30 10.721 -5.291 2.896 1.00 11.02 C ATOM 484 O GLU A 30 9.823 -6.113 3.148 1.00 31.00 O ATOM 485 CB GLU A 30 12.706 -4.841 4.453 1.00 25.21 C ATOM 486 CG GLU A 30 13.305 -4.071 5.653 1.00 22.50 C ATOM 487 CD GLU A 30 14.617 -4.681 6.167 1.00 53.32 C ATOM 488 OE1 GLU A 30 15.653 -4.533 5.484 1.00 62.14 O ATOM 489 OE2 GLU A 30 14.616 -5.312 7.254 1.00 70.24 O ATOM 0 H GLU A 30 10.168 -5.530 5.416 1.00 54.14 H new ATOM 0 HA GLU A 30 11.296 -3.367 3.703 1.00 60.52 H new ATOM 0 HB2 GLU A 30 12.692 -5.904 4.693 1.00 25.21 H new ATOM 0 HB3 GLU A 30 13.366 -4.717 3.594 1.00 25.21 H new ATOM 0 HG2 GLU A 30 13.483 -3.036 5.361 1.00 22.50 H new ATOM 0 HG3 GLU A 30 12.578 -4.052 6.465 1.00 22.50 H new ATOM 496 N PRO A 31 11.229 -5.160 1.613 1.00 21.42 N ATOM 497 CA PRO A 31 10.849 -6.093 0.514 1.00 12.43 C ATOM 498 C PRO A 31 11.374 -7.513 0.810 1.00 35.24 C ATOM 499 O PRO A 31 10.736 -8.524 0.497 1.00 31.04 O ATOM 500 CB PRO A 31 11.520 -5.480 -0.759 1.00 71.43 C ATOM 501 CG PRO A 31 11.961 -4.095 -0.365 1.00 53.23 C ATOM 502 CD PRO A 31 12.192 -4.126 1.129 1.00 70.44 C ATOM 0 HA PRO A 31 9.771 -6.195 0.393 1.00 12.43 H new ATOM 0 HB2 PRO A 31 12.368 -6.083 -1.082 1.00 71.43 H new ATOM 0 HB3 PRO A 31 10.818 -5.444 -1.592 1.00 71.43 H new ATOM 0 HG2 PRO A 31 12.872 -3.813 -0.893 1.00 53.23 H new ATOM 0 HG3 PRO A 31 11.202 -3.358 -0.625 1.00 53.23 H new ATOM 0 HD2 PRO A 31 13.221 -4.393 1.370 1.00 70.44 H new ATOM 0 HD3 PRO A 31 12.000 -3.155 1.585 1.00 70.44 H new ATOM 510 N ASP A 32 12.550 -7.528 1.452 1.00 54.45 N ATOM 511 CA ASP A 32 13.276 -8.728 1.865 1.00 64.11 C ATOM 512 C ASP A 32 12.627 -9.370 3.114 1.00 10.23 C ATOM 513 O ASP A 32 12.388 -10.584 3.151 1.00 22.40 O ATOM 514 CB ASP A 32 14.737 -8.300 2.165 1.00 4.34 C ATOM 515 CG ASP A 32 15.647 -9.452 2.620 1.00 12.22 C ATOM 516 OD1 ASP A 32 16.268 -10.112 1.759 1.00 5.40 O ATOM 517 OD2 ASP A 32 15.759 -9.689 3.844 1.00 40.24 O ATOM 0 H ASP A 32 13.037 -6.669 1.706 1.00 54.45 H new ATOM 0 HA ASP A 32 13.248 -9.478 1.075 1.00 64.11 H new ATOM 0 HB2 ASP A 32 15.163 -7.847 1.270 1.00 4.34 H new ATOM 0 HB3 ASP A 32 14.728 -7.531 2.938 1.00 4.34 H new ATOM 522 N SER A 33 12.353 -8.520 4.127 1.00 24.42 N ATOM 523 CA SER A 33 11.870 -8.951 5.463 1.00 44.31 C ATOM 524 C SER A 33 10.337 -9.099 5.480 1.00 40.44 C ATOM 525 O SER A 33 9.664 -8.614 4.567 1.00 75.11 O ATOM 526 CB SER A 33 12.357 -7.951 6.538 1.00 72.12 C ATOM 527 OG SER A 33 12.050 -8.391 7.851 1.00 13.34 O ATOM 0 H SER A 33 12.460 -7.509 4.043 1.00 24.42 H new ATOM 0 HA SER A 33 12.285 -9.933 5.690 1.00 44.31 H new ATOM 0 HB2 SER A 33 13.434 -7.814 6.444 1.00 72.12 H new ATOM 0 HB3 SER A 33 11.896 -6.979 6.364 1.00 72.12 H new ATOM 0 HG SER A 33 12.375 -7.733 8.501 1.00 13.34 H new ATOM 533 N VAL A 34 9.811 -9.710 6.578 1.00 13.31 N ATOM 534 CA VAL A 34 8.480 -10.377 6.629 1.00 3.31 C ATOM 535 C VAL A 34 8.560 -11.682 5.831 1.00 53.01 C ATOM 536 O VAL A 34 8.939 -11.665 4.648 1.00 54.35 O ATOM 537 CB VAL A 34 7.248 -9.514 6.109 1.00 40.45 C ATOM 538 CG1 VAL A 34 5.916 -10.317 6.111 1.00 22.51 C ATOM 539 CG2 VAL A 34 7.106 -8.224 6.927 1.00 64.33 C ATOM 0 H VAL A 34 10.309 -9.753 7.467 1.00 13.31 H new ATOM 0 HA VAL A 34 8.274 -10.543 7.687 1.00 3.31 H new ATOM 0 HB VAL A 34 7.459 -9.252 5.072 1.00 40.45 H new ATOM 0 HG11 VAL A 34 5.108 -9.682 5.748 1.00 22.51 H new ATOM 0 HG12 VAL A 34 6.014 -11.187 5.461 1.00 22.51 H new ATOM 0 HG13 VAL A 34 5.691 -10.646 7.126 1.00 22.51 H new ATOM 0 HG21 VAL A 34 6.258 -7.649 6.555 1.00 64.33 H new ATOM 0 HG22 VAL A 34 6.943 -8.474 7.975 1.00 64.33 H new ATOM 0 HG23 VAL A 34 8.016 -7.631 6.832 1.00 64.33 H new ATOM 549 N LEU A 35 8.214 -12.806 6.485 1.00 14.44 N ATOM 550 CA LEU A 35 8.166 -14.113 5.824 1.00 24.45 C ATOM 551 C LEU A 35 7.101 -14.031 4.704 1.00 25.35 C ATOM 552 O LEU A 35 5.958 -13.671 4.995 1.00 23.31 O ATOM 553 CB LEU A 35 7.872 -15.267 6.842 1.00 13.24 C ATOM 554 CG LEU A 35 8.970 -15.503 7.950 1.00 51.41 C ATOM 555 CD1 LEU A 35 8.862 -14.487 9.113 1.00 62.15 C ATOM 556 CD2 LEU A 35 8.955 -16.965 8.467 1.00 40.15 C ATOM 0 H LEU A 35 7.964 -12.830 7.474 1.00 14.44 H new ATOM 0 HA LEU A 35 9.137 -14.353 5.390 1.00 24.45 H new ATOM 0 HB2 LEU A 35 6.924 -15.057 7.336 1.00 13.24 H new ATOM 0 HB3 LEU A 35 7.742 -16.194 6.283 1.00 13.24 H new ATOM 0 HG LEU A 35 9.936 -15.333 7.474 1.00 51.41 H new ATOM 0 HD11 LEU A 35 9.640 -14.692 9.849 1.00 62.15 H new ATOM 0 HD12 LEU A 35 8.987 -13.476 8.726 1.00 62.15 H new ATOM 0 HD13 LEU A 35 7.883 -14.577 9.585 1.00 62.15 H new ATOM 0 HD21 LEU A 35 9.725 -17.089 9.229 1.00 40.15 H new ATOM 0 HD22 LEU A 35 7.979 -17.189 8.897 1.00 40.15 H new ATOM 0 HD23 LEU A 35 9.151 -17.646 7.639 1.00 40.15 H new ATOM 568 N PRO A 36 7.481 -14.303 3.405 1.00 60.44 N ATOM 569 CA PRO A 36 6.660 -13.953 2.194 1.00 50.51 C ATOM 570 C PRO A 36 5.274 -14.657 2.053 1.00 21.55 C ATOM 571 O PRO A 36 4.737 -14.718 0.941 1.00 54.54 O ATOM 572 CB PRO A 36 7.608 -14.307 1.004 1.00 2.31 C ATOM 573 CG PRO A 36 8.978 -14.396 1.604 1.00 50.42 C ATOM 574 CD PRO A 36 8.762 -14.938 2.996 1.00 71.25 C ATOM 0 HA PRO A 36 6.356 -12.908 2.248 1.00 50.51 H new ATOM 0 HB2 PRO A 36 7.320 -15.250 0.539 1.00 2.31 H new ATOM 0 HB3 PRO A 36 7.567 -13.543 0.228 1.00 2.31 H new ATOM 0 HG2 PRO A 36 9.622 -15.054 1.020 1.00 50.42 H new ATOM 0 HG3 PRO A 36 9.461 -13.419 1.632 1.00 50.42 H new ATOM 0 HD2 PRO A 36 8.693 -16.026 3.000 1.00 71.25 H new ATOM 0 HD3 PRO A 36 9.579 -14.668 3.666 1.00 71.25 H new ATOM 582 N LEU A 37 4.713 -15.165 3.179 1.00 41.45 N ATOM 583 CA LEU A 37 3.271 -15.465 3.342 1.00 60.54 C ATOM 584 C LEU A 37 2.840 -16.711 2.544 1.00 44.24 C ATOM 585 O LEU A 37 2.673 -17.792 3.122 1.00 61.30 O ATOM 586 CB LEU A 37 2.427 -14.192 3.020 1.00 52.32 C ATOM 587 CG LEU A 37 2.823 -12.933 3.865 1.00 51.10 C ATOM 588 CD1 LEU A 37 2.416 -11.630 3.178 1.00 73.34 C ATOM 589 CD2 LEU A 37 2.255 -13.013 5.299 1.00 44.51 C ATOM 0 H LEU A 37 5.261 -15.381 4.012 1.00 41.45 H new ATOM 0 HA LEU A 37 3.080 -15.726 4.383 1.00 60.54 H new ATOM 0 HB2 LEU A 37 2.535 -13.955 1.962 1.00 52.32 H new ATOM 0 HB3 LEU A 37 1.374 -14.414 3.191 1.00 52.32 H new ATOM 0 HG LEU A 37 3.910 -12.930 3.939 1.00 51.10 H new ATOM 0 HD11 LEU A 37 2.710 -10.784 3.799 1.00 73.34 H new ATOM 0 HD12 LEU A 37 2.912 -11.559 2.210 1.00 73.34 H new ATOM 0 HD13 LEU A 37 1.336 -11.616 3.034 1.00 73.34 H new ATOM 0 HD21 LEU A 37 2.549 -12.124 5.857 1.00 44.51 H new ATOM 0 HD22 LEU A 37 1.167 -13.072 5.257 1.00 44.51 H new ATOM 0 HD23 LEU A 37 2.647 -13.900 5.797 1.00 44.51 H new ATOM 601 N ALA A 38 2.700 -16.571 1.224 1.00 3.21 N ATOM 602 CA ALA A 38 2.394 -17.690 0.323 1.00 74.15 C ATOM 603 C ALA A 38 3.159 -17.480 -0.982 1.00 21.53 C ATOM 604 O ALA A 38 3.213 -16.351 -1.491 1.00 0.30 O ATOM 605 CB ALA A 38 0.879 -17.800 0.073 1.00 34.32 C ATOM 0 H ALA A 38 2.796 -15.675 0.746 1.00 3.21 H new ATOM 0 HA ALA A 38 2.706 -18.629 0.781 1.00 74.15 H new ATOM 0 HB1 ALA A 38 0.681 -18.636 -0.597 1.00 34.32 H new ATOM 0 HB2 ALA A 38 0.365 -17.964 1.020 1.00 34.32 H new ATOM 0 HB3 ALA A 38 0.517 -16.878 -0.381 1.00 34.32 H new ATOM 611 N ASP A 39 3.742 -18.573 -1.511 1.00 0.14 N ATOM 612 CA ASP A 39 4.606 -18.538 -2.701 1.00 20.34 C ATOM 613 C ASP A 39 3.849 -18.012 -3.934 1.00 64.40 C ATOM 614 O ASP A 39 2.692 -18.389 -4.182 1.00 13.00 O ATOM 615 CB ASP A 39 5.188 -19.946 -2.993 1.00 33.11 C ATOM 616 CG ASP A 39 6.021 -20.005 -4.295 1.00 31.22 C ATOM 617 OD1 ASP A 39 7.098 -19.372 -4.349 1.00 60.23 O ATOM 618 OD2 ASP A 39 5.595 -20.668 -5.276 1.00 33.11 O ATOM 0 H ASP A 39 3.625 -19.508 -1.121 1.00 0.14 H new ATOM 0 HA ASP A 39 5.426 -17.851 -2.491 1.00 20.34 H new ATOM 0 HB2 ASP A 39 5.814 -20.254 -2.155 1.00 33.11 H new ATOM 0 HB3 ASP A 39 4.370 -20.663 -3.060 1.00 33.11 H new ATOM 623 N GLY A 40 4.520 -17.126 -4.680 1.00 32.02 N ATOM 624 CA GLY A 40 3.992 -16.580 -5.912 1.00 4.12 C ATOM 625 C GLY A 40 3.138 -15.354 -5.673 1.00 42.53 C ATOM 626 O GLY A 40 3.609 -14.239 -5.858 1.00 21.14 O ATOM 0 H GLY A 40 5.446 -16.774 -4.436 1.00 32.02 H new ATOM 0 HA2 GLY A 40 4.817 -16.322 -6.576 1.00 4.12 H new ATOM 0 HA3 GLY A 40 3.399 -17.341 -6.420 1.00 4.12 H new ATOM 630 N VAL A 41 1.896 -15.560 -5.199 1.00 32.33 N ATOM 631 CA VAL A 41 0.885 -14.487 -5.135 1.00 1.33 C ATOM 632 C VAL A 41 1.095 -13.554 -3.933 1.00 2.30 C ATOM 633 O VAL A 41 1.283 -12.368 -4.127 1.00 72.45 O ATOM 634 CB VAL A 41 -0.575 -15.055 -5.110 1.00 40.24 C ATOM 635 CG1 VAL A 41 -1.640 -13.918 -5.096 1.00 61.32 C ATOM 636 CG2 VAL A 41 -0.797 -16.032 -6.286 1.00 3.23 C ATOM 0 H VAL A 41 1.567 -16.462 -4.854 1.00 32.33 H new ATOM 0 HA VAL A 41 1.018 -13.905 -6.047 1.00 1.33 H new ATOM 0 HB VAL A 41 -0.701 -15.611 -4.181 1.00 40.24 H new ATOM 0 HG11 VAL A 41 -2.638 -14.355 -5.079 1.00 61.32 H new ATOM 0 HG12 VAL A 41 -1.500 -13.299 -4.210 1.00 61.32 H new ATOM 0 HG13 VAL A 41 -1.528 -13.304 -5.989 1.00 61.32 H new ATOM 0 HG21 VAL A 41 -1.816 -16.416 -6.252 1.00 3.23 H new ATOM 0 HG22 VAL A 41 -0.637 -15.509 -7.229 1.00 3.23 H new ATOM 0 HG23 VAL A 41 -0.094 -16.861 -6.208 1.00 3.23 H new ATOM 646 N LEU A 42 1.048 -14.081 -2.693 1.00 51.45 N ATOM 647 CA LEU A 42 1.096 -13.218 -1.479 1.00 42.40 C ATOM 648 C LEU A 42 2.507 -12.652 -1.240 1.00 23.13 C ATOM 649 O LEU A 42 2.655 -11.619 -0.581 1.00 3.23 O ATOM 650 CB LEU A 42 0.555 -13.954 -0.230 1.00 62.34 C ATOM 651 CG LEU A 42 -0.942 -14.413 -0.301 1.00 41.41 C ATOM 652 CD1 LEU A 42 -1.417 -14.974 1.059 1.00 61.31 C ATOM 653 CD2 LEU A 42 -1.865 -13.271 -0.788 1.00 54.05 C ATOM 0 H LEU A 42 0.978 -15.080 -2.499 1.00 51.45 H new ATOM 0 HA LEU A 42 0.436 -12.370 -1.661 1.00 42.40 H new ATOM 0 HB2 LEU A 42 1.176 -14.832 -0.052 1.00 62.34 H new ATOM 0 HB3 LEU A 42 0.674 -13.299 0.633 1.00 62.34 H new ATOM 0 HG LEU A 42 -1.004 -15.217 -1.035 1.00 41.41 H new ATOM 0 HD11 LEU A 42 -2.459 -15.285 0.981 1.00 61.31 H new ATOM 0 HD12 LEU A 42 -0.802 -15.831 1.334 1.00 61.31 H new ATOM 0 HD13 LEU A 42 -1.325 -14.202 1.823 1.00 61.31 H new ATOM 0 HD21 LEU A 42 -2.895 -13.626 -0.825 1.00 54.05 H new ATOM 0 HD22 LEU A 42 -1.796 -12.429 -0.100 1.00 54.05 H new ATOM 0 HD23 LEU A 42 -1.555 -12.952 -1.783 1.00 54.05 H new ATOM 665 N SER A 43 3.526 -13.340 -1.781 1.00 70.04 N ATOM 666 CA SER A 43 4.901 -12.817 -1.860 1.00 44.02 C ATOM 667 C SER A 43 4.962 -11.627 -2.842 1.00 32.12 C ATOM 668 O SER A 43 5.594 -10.603 -2.547 1.00 40.21 O ATOM 669 CB SER A 43 5.867 -13.944 -2.287 1.00 42.42 C ATOM 670 OG SER A 43 5.442 -14.565 -3.489 1.00 11.35 O ATOM 0 H SER A 43 3.420 -14.274 -2.176 1.00 70.04 H new ATOM 0 HA SER A 43 5.208 -12.458 -0.878 1.00 44.02 H new ATOM 0 HB2 SER A 43 6.868 -13.535 -2.422 1.00 42.42 H new ATOM 0 HB3 SER A 43 5.931 -14.689 -1.494 1.00 42.42 H new ATOM 0 HG SER A 43 6.223 -14.892 -3.982 1.00 11.35 H new ATOM 676 N PHE A 44 4.271 -11.783 -3.999 1.00 71.12 N ATOM 677 CA PHE A 44 4.106 -10.715 -5.010 1.00 52.15 C ATOM 678 C PHE A 44 3.414 -9.501 -4.381 1.00 63.52 C ATOM 679 O PHE A 44 3.933 -8.402 -4.479 1.00 72.41 O ATOM 680 CB PHE A 44 3.291 -11.242 -6.231 1.00 53.14 C ATOM 681 CG PHE A 44 2.988 -10.241 -7.361 1.00 0.12 C ATOM 682 CD1 PHE A 44 3.878 -10.048 -8.420 1.00 21.45 C ATOM 683 CD2 PHE A 44 1.798 -9.512 -7.378 1.00 4.52 C ATOM 684 CE1 PHE A 44 3.588 -9.162 -9.445 1.00 53.25 C ATOM 685 CE2 PHE A 44 1.511 -8.626 -8.399 1.00 41.25 C ATOM 686 CZ PHE A 44 2.406 -8.451 -9.433 1.00 20.22 C ATOM 0 H PHE A 44 3.812 -12.657 -4.255 1.00 71.12 H new ATOM 0 HA PHE A 44 5.090 -10.410 -5.365 1.00 52.15 H new ATOM 0 HB2 PHE A 44 3.834 -12.083 -6.662 1.00 53.14 H new ATOM 0 HB3 PHE A 44 2.342 -11.631 -5.861 1.00 53.14 H new ATOM 0 HD1 PHE A 44 4.807 -10.598 -8.440 1.00 21.45 H new ATOM 0 HD2 PHE A 44 1.086 -9.643 -6.576 1.00 4.52 H new ATOM 0 HE1 PHE A 44 4.289 -9.028 -10.255 1.00 53.25 H new ATOM 0 HE2 PHE A 44 0.585 -8.070 -8.387 1.00 41.25 H new ATOM 0 HZ PHE A 44 2.182 -7.759 -10.231 1.00 20.22 H new ATOM 696 N ILE A 45 2.264 -9.722 -3.691 1.00 23.41 N ATOM 697 CA ILE A 45 1.442 -8.611 -3.153 1.00 42.40 C ATOM 698 C ILE A 45 2.180 -7.917 -1.990 1.00 54.10 C ATOM 699 O ILE A 45 2.107 -6.705 -1.868 1.00 41.10 O ATOM 700 CB ILE A 45 -0.006 -9.023 -2.658 1.00 32.23 C ATOM 701 CG1 ILE A 45 -0.718 -10.033 -3.613 1.00 62.45 C ATOM 702 CG2 ILE A 45 -0.894 -7.761 -2.466 1.00 2.43 C ATOM 703 CD1 ILE A 45 -0.967 -9.546 -5.031 1.00 31.24 C ATOM 0 H ILE A 45 1.890 -10.651 -3.497 1.00 23.41 H new ATOM 0 HA ILE A 45 1.299 -7.939 -3.999 1.00 42.40 H new ATOM 0 HB ILE A 45 0.129 -9.530 -1.703 1.00 32.23 H new ATOM 0 HG12 ILE A 45 -0.117 -10.941 -3.662 1.00 62.45 H new ATOM 0 HG13 ILE A 45 -1.676 -10.308 -3.171 1.00 62.45 H new ATOM 0 HG21 ILE A 45 -1.885 -8.062 -2.126 1.00 2.43 H new ATOM 0 HG22 ILE A 45 -0.439 -7.105 -1.724 1.00 2.43 H new ATOM 0 HG23 ILE A 45 -0.981 -7.230 -3.414 1.00 2.43 H new ATOM 0 HD11 ILE A 45 -1.466 -10.329 -5.602 1.00 31.24 H new ATOM 0 HD12 ILE A 45 -1.598 -8.658 -5.005 1.00 31.24 H new ATOM 0 HD13 ILE A 45 -0.016 -9.302 -5.504 1.00 31.24 H new ATOM 715 N HIS A 46 2.885 -8.710 -1.143 1.00 65.41 N ATOM 716 CA HIS A 46 3.769 -8.170 -0.075 1.00 74.22 C ATOM 717 C HIS A 46 4.852 -7.264 -0.695 1.00 13.23 C ATOM 718 O HIS A 46 5.123 -6.147 -0.201 1.00 23.02 O ATOM 719 CB HIS A 46 4.415 -9.335 0.737 1.00 53.12 C ATOM 720 CG HIS A 46 5.549 -8.917 1.645 1.00 64.01 C ATOM 721 ND1 HIS A 46 6.832 -9.409 1.513 1.00 0.14 N ATOM 722 CD2 HIS A 46 5.595 -8.029 2.674 1.00 35.41 C ATOM 723 CE1 HIS A 46 7.611 -8.836 2.405 1.00 25.50 C ATOM 724 NE2 HIS A 46 6.889 -7.995 3.116 1.00 23.42 N ATOM 0 H HIS A 46 2.859 -9.729 -1.179 1.00 65.41 H new ATOM 0 HA HIS A 46 3.171 -7.572 0.612 1.00 74.22 H new ATOM 0 HB2 HIS A 46 3.642 -9.813 1.339 1.00 53.12 H new ATOM 0 HB3 HIS A 46 4.784 -10.086 0.039 1.00 53.12 H new ATOM 0 HD2 HIS A 46 4.767 -7.459 3.068 1.00 35.41 H new ATOM 0 HE1 HIS A 46 8.667 -9.024 2.533 1.00 25.50 H new ATOM 0 HE2 HIS A 46 7.239 -7.411 3.876 1.00 23.42 H new ATOM 733 N HIS A 47 5.437 -7.751 -1.804 1.00 31.14 N ATOM 734 CA HIS A 47 6.436 -7.001 -2.564 1.00 73.55 C ATOM 735 C HIS A 47 5.814 -5.690 -3.086 1.00 52.05 C ATOM 736 O HIS A 47 6.409 -4.646 -2.926 1.00 34.50 O ATOM 737 CB HIS A 47 6.996 -7.857 -3.723 1.00 32.03 C ATOM 738 CG HIS A 47 8.180 -7.249 -4.430 1.00 1.30 C ATOM 739 ND1 HIS A 47 8.149 -6.826 -5.741 1.00 71.25 N ATOM 740 CD2 HIS A 47 9.451 -7.043 -4.008 1.00 41.22 C ATOM 741 CE1 HIS A 47 9.344 -6.403 -6.095 1.00 44.33 C ATOM 742 NE2 HIS A 47 10.151 -6.518 -5.061 1.00 41.23 N ATOM 0 H HIS A 47 5.228 -8.671 -2.192 1.00 31.14 H new ATOM 0 HA HIS A 47 7.271 -6.751 -1.909 1.00 73.55 H new ATOM 0 HB2 HIS A 47 7.284 -8.833 -3.332 1.00 32.03 H new ATOM 0 HB3 HIS A 47 6.202 -8.027 -4.450 1.00 32.03 H new ATOM 0 HD2 HIS A 47 9.840 -7.254 -3.023 1.00 41.22 H new ATOM 0 HE1 HIS A 47 9.617 -6.025 -7.069 1.00 44.33 H new ATOM 0 HE2 HIS A 47 11.137 -6.258 -5.047 1.00 41.23 H new ATOM 751 N GLN A 48 4.569 -5.757 -3.619 1.00 51.13 N ATOM 752 CA GLN A 48 3.860 -4.572 -4.161 1.00 15.23 C ATOM 753 C GLN A 48 3.516 -3.592 -3.026 1.00 10.13 C ATOM 754 O GLN A 48 3.514 -2.393 -3.230 1.00 40.05 O ATOM 755 CB GLN A 48 2.559 -4.963 -4.919 1.00 4.15 C ATOM 756 CG GLN A 48 2.716 -6.036 -6.014 1.00 53.44 C ATOM 757 CD GLN A 48 3.890 -5.803 -6.973 1.00 61.20 C ATOM 758 OE1 GLN A 48 5.006 -6.289 -6.747 1.00 2.40 O ATOM 759 NE2 GLN A 48 3.650 -5.076 -8.054 1.00 12.13 N ATOM 0 H GLN A 48 4.034 -6.623 -3.685 1.00 51.13 H new ATOM 0 HA GLN A 48 4.533 -4.094 -4.873 1.00 15.23 H new ATOM 0 HB2 GLN A 48 1.830 -5.318 -4.191 1.00 4.15 H new ATOM 0 HB3 GLN A 48 2.143 -4.065 -5.375 1.00 4.15 H new ATOM 0 HG2 GLN A 48 2.841 -7.008 -5.537 1.00 53.44 H new ATOM 0 HG3 GLN A 48 1.794 -6.082 -6.594 1.00 53.44 H new ATOM 0 HE21 GLN A 48 2.720 -4.689 -8.212 1.00 12.13 H new ATOM 0 HE22 GLN A 48 4.396 -4.903 -8.728 1.00 12.13 H new ATOM 768 N ILE A 49 3.233 -4.139 -1.830 1.00 25.55 N ATOM 769 CA ILE A 49 2.977 -3.351 -0.605 1.00 42.34 C ATOM 770 C ILE A 49 4.193 -2.452 -0.326 1.00 32.22 C ATOM 771 O ILE A 49 4.060 -1.227 -0.255 1.00 22.23 O ATOM 772 CB ILE A 49 2.634 -4.296 0.638 1.00 30.53 C ATOM 773 CG1 ILE A 49 1.171 -4.848 0.527 1.00 32.23 C ATOM 774 CG2 ILE A 49 2.854 -3.598 2.012 1.00 12.12 C ATOM 775 CD1 ILE A 49 0.806 -5.930 1.531 1.00 5.14 C ATOM 0 H ILE A 49 3.175 -5.147 -1.683 1.00 25.55 H new ATOM 0 HA ILE A 49 2.101 -2.721 -0.758 1.00 42.34 H new ATOM 0 HB ILE A 49 3.335 -5.130 0.596 1.00 30.53 H new ATOM 0 HG12 ILE A 49 0.477 -4.016 0.646 1.00 32.23 H new ATOM 0 HG13 ILE A 49 1.025 -5.244 -0.478 1.00 32.23 H new ATOM 0 HG21 ILE A 49 2.604 -4.290 2.816 1.00 12.12 H new ATOM 0 HG22 ILE A 49 3.897 -3.296 2.104 1.00 12.12 H new ATOM 0 HG23 ILE A 49 2.215 -2.718 2.079 1.00 12.12 H new ATOM 0 HD11 ILE A 49 -0.226 -6.243 1.370 1.00 5.14 H new ATOM 0 HD12 ILE A 49 1.469 -6.785 1.402 1.00 5.14 H new ATOM 0 HD13 ILE A 49 0.912 -5.538 2.543 1.00 5.14 H new ATOM 787 N ILE A 50 5.388 -3.074 -0.261 1.00 33.51 N ATOM 788 CA ILE A 50 6.628 -2.338 0.073 1.00 32.30 C ATOM 789 C ILE A 50 7.075 -1.398 -1.077 1.00 71.01 C ATOM 790 O ILE A 50 7.488 -0.266 -0.825 1.00 74.11 O ATOM 791 CB ILE A 50 7.818 -3.291 0.433 1.00 21.52 C ATOM 792 CG1 ILE A 50 7.384 -4.432 1.404 1.00 43.22 C ATOM 793 CG2 ILE A 50 8.983 -2.471 1.038 1.00 74.53 C ATOM 794 CD1 ILE A 50 6.844 -3.977 2.760 1.00 15.54 C ATOM 0 H ILE A 50 5.522 -4.071 -0.433 1.00 33.51 H new ATOM 0 HA ILE A 50 6.378 -1.743 0.951 1.00 32.30 H new ATOM 0 HB ILE A 50 8.153 -3.769 -0.488 1.00 21.52 H new ATOM 0 HG12 ILE A 50 6.619 -5.032 0.911 1.00 43.22 H new ATOM 0 HG13 ILE A 50 8.240 -5.085 1.575 1.00 43.22 H new ATOM 0 HG21 ILE A 50 9.808 -3.139 1.286 1.00 74.53 H new ATOM 0 HG22 ILE A 50 9.322 -1.731 0.313 1.00 74.53 H new ATOM 0 HG23 ILE A 50 8.641 -1.965 1.941 1.00 74.53 H new ATOM 0 HD11 ILE A 50 6.573 -4.849 3.355 1.00 15.54 H new ATOM 0 HD12 ILE A 50 7.610 -3.405 3.283 1.00 15.54 H new ATOM 0 HD13 ILE A 50 5.964 -3.352 2.610 1.00 15.54 H new ATOM 806 N GLU A 51 6.982 -1.884 -2.330 1.00 63.25 N ATOM 807 CA GLU A 51 7.453 -1.150 -3.528 1.00 0.32 C ATOM 808 C GLU A 51 6.586 0.075 -3.794 1.00 15.35 C ATOM 809 O GLU A 51 7.105 1.144 -4.088 1.00 0.11 O ATOM 810 CB GLU A 51 7.462 -2.056 -4.793 1.00 72.04 C ATOM 811 CG GLU A 51 8.437 -3.244 -4.725 1.00 72.33 C ATOM 812 CD GLU A 51 9.901 -2.827 -4.516 1.00 22.22 C ATOM 813 OE1 GLU A 51 10.551 -2.402 -5.498 1.00 54.51 O ATOM 814 OE2 GLU A 51 10.416 -2.940 -3.380 1.00 34.21 O ATOM 0 H GLU A 51 6.579 -2.796 -2.544 1.00 63.25 H new ATOM 0 HA GLU A 51 8.475 -0.832 -3.320 1.00 0.32 H new ATOM 0 HB2 GLU A 51 6.455 -2.439 -4.956 1.00 72.04 H new ATOM 0 HB3 GLU A 51 7.715 -1.445 -5.659 1.00 72.04 H new ATOM 0 HG2 GLU A 51 8.136 -3.904 -3.911 1.00 72.33 H new ATOM 0 HG3 GLU A 51 8.360 -3.820 -5.647 1.00 72.33 H new ATOM 821 N LEU A 52 5.262 -0.118 -3.724 1.00 63.22 N ATOM 822 CA LEU A 52 4.282 0.974 -3.912 1.00 21.11 C ATOM 823 C LEU A 52 4.289 1.950 -2.733 1.00 2.13 C ATOM 824 O LEU A 52 4.061 3.141 -2.937 1.00 43.10 O ATOM 825 CB LEU A 52 2.851 0.409 -4.172 1.00 70.05 C ATOM 826 CG LEU A 52 2.652 -0.326 -5.547 1.00 74.15 C ATOM 827 CD1 LEU A 52 1.297 -1.073 -5.608 1.00 64.53 C ATOM 828 CD2 LEU A 52 2.816 0.661 -6.726 1.00 4.14 C ATOM 0 H LEU A 52 4.837 -1.026 -3.537 1.00 63.22 H new ATOM 0 HA LEU A 52 4.585 1.534 -4.797 1.00 21.11 H new ATOM 0 HB2 LEU A 52 2.602 -0.286 -3.370 1.00 70.05 H new ATOM 0 HB3 LEU A 52 2.139 1.232 -4.113 1.00 70.05 H new ATOM 0 HG LEU A 52 3.432 -1.083 -5.636 1.00 74.15 H new ATOM 0 HD11 LEU A 52 1.198 -1.568 -6.574 1.00 64.53 H new ATOM 0 HD12 LEU A 52 1.256 -1.817 -4.813 1.00 64.53 H new ATOM 0 HD13 LEU A 52 0.482 -0.360 -5.480 1.00 64.53 H new ATOM 0 HD21 LEU A 52 2.674 0.130 -7.667 1.00 4.14 H new ATOM 0 HD22 LEU A 52 2.074 1.455 -6.642 1.00 4.14 H new ATOM 0 HD23 LEU A 52 3.816 1.095 -6.701 1.00 4.14 H new ATOM 840 N ALA A 53 4.561 1.454 -1.512 1.00 62.15 N ATOM 841 CA ALA A 53 4.768 2.321 -0.339 1.00 23.15 C ATOM 842 C ALA A 53 5.977 3.251 -0.571 1.00 42.24 C ATOM 843 O ALA A 53 5.831 4.466 -0.529 1.00 1.02 O ATOM 844 CB ALA A 53 4.966 1.473 0.924 1.00 33.40 C ATOM 0 H ALA A 53 4.642 0.457 -1.313 1.00 62.15 H new ATOM 0 HA ALA A 53 3.881 2.939 -0.197 1.00 23.15 H new ATOM 0 HB1 ALA A 53 5.118 2.128 1.782 1.00 33.40 H new ATOM 0 HB2 ALA A 53 4.083 0.856 1.090 1.00 33.40 H new ATOM 0 HB3 ALA A 53 5.838 0.832 0.799 1.00 33.40 H new ATOM 850 N ARG A 54 7.143 2.656 -0.880 1.00 55.14 N ATOM 851 CA ARG A 54 8.418 3.400 -1.035 1.00 34.15 C ATOM 852 C ARG A 54 8.432 4.273 -2.307 1.00 53.24 C ATOM 853 O ARG A 54 9.018 5.357 -2.303 1.00 4.32 O ATOM 854 CB ARG A 54 9.637 2.418 -0.979 1.00 3.44 C ATOM 855 CG ARG A 54 9.855 1.796 0.426 1.00 42.40 C ATOM 856 CD ARG A 54 11.103 0.902 0.565 1.00 43.41 C ATOM 857 NE ARG A 54 11.293 0.450 1.961 1.00 63.25 N ATOM 858 CZ ARG A 54 12.314 -0.302 2.415 1.00 31.04 C ATOM 859 NH1 ARG A 54 13.280 -0.714 1.602 1.00 63.11 N ATOM 860 NH2 ARG A 54 12.362 -0.639 3.695 1.00 71.11 N ATOM 0 H ARG A 54 7.234 1.651 -1.030 1.00 55.14 H new ATOM 0 HA ARG A 54 8.506 4.090 -0.196 1.00 34.15 H new ATOM 0 HB2 ARG A 54 9.485 1.618 -1.704 1.00 3.44 H new ATOM 0 HB3 ARG A 54 10.539 2.952 -1.277 1.00 3.44 H new ATOM 0 HG2 ARG A 54 9.923 2.603 1.156 1.00 42.40 H new ATOM 0 HG3 ARG A 54 8.975 1.206 0.684 1.00 42.40 H new ATOM 0 HD2 ARG A 54 11.006 0.036 -0.089 1.00 43.41 H new ATOM 0 HD3 ARG A 54 11.985 1.452 0.236 1.00 43.41 H new ATOM 0 HE ARG A 54 10.587 0.733 2.641 1.00 63.25 H new ATOM 0 HH11 ARG A 54 13.257 -0.462 0.614 1.00 63.11 H new ATOM 0 HH12 ARG A 54 14.045 -1.283 1.966 1.00 63.11 H new ATOM 0 HH21 ARG A 54 11.628 -0.329 4.332 1.00 71.11 H new ATOM 0 HH22 ARG A 54 13.133 -1.208 4.044 1.00 71.11 H new ATOM 874 N ASP A 55 7.727 3.826 -3.367 1.00 45.22 N ATOM 875 CA ASP A 55 7.597 4.595 -4.625 1.00 52.34 C ATOM 876 C ASP A 55 6.734 5.829 -4.347 1.00 43.04 C ATOM 877 O ASP A 55 7.176 6.960 -4.568 1.00 52.34 O ATOM 878 CB ASP A 55 6.983 3.739 -5.770 1.00 33.25 C ATOM 879 CG ASP A 55 7.009 4.453 -7.139 1.00 32.43 C ATOM 880 OD1 ASP A 55 8.094 4.500 -7.768 1.00 71.13 O ATOM 881 OD2 ASP A 55 5.954 4.946 -7.606 1.00 55.35 O ATOM 0 H ASP A 55 7.236 2.932 -3.377 1.00 45.22 H new ATOM 0 HA ASP A 55 8.589 4.896 -4.962 1.00 52.34 H new ATOM 0 HB2 ASP A 55 7.530 2.799 -5.846 1.00 33.25 H new ATOM 0 HB3 ASP A 55 5.953 3.489 -5.517 1.00 33.25 H new ATOM 886 N CYS A 56 5.528 5.585 -3.782 1.00 41.04 N ATOM 887 CA CYS A 56 4.587 6.654 -3.383 1.00 20.02 C ATOM 888 C CYS A 56 5.273 7.657 -2.450 1.00 41.23 C ATOM 889 O CYS A 56 5.134 8.864 -2.621 1.00 35.44 O ATOM 890 CB CYS A 56 3.312 6.074 -2.716 1.00 42.21 C ATOM 891 SG CYS A 56 2.047 7.296 -2.299 1.00 74.20 S ATOM 0 H CYS A 56 5.183 4.644 -3.591 1.00 41.04 H new ATOM 0 HA CYS A 56 4.278 7.175 -4.289 1.00 20.02 H new ATOM 0 HB2 CYS A 56 2.874 5.334 -3.386 1.00 42.21 H new ATOM 0 HB3 CYS A 56 3.603 5.549 -1.806 1.00 42.21 H new ATOM 0 HG CYS A 56 1.031 6.699 -1.751 1.00 74.20 H new ATOM 897 N LEU A 57 6.087 7.129 -1.525 1.00 55.53 N ATOM 898 CA LEU A 57 6.812 7.928 -0.533 1.00 51.34 C ATOM 899 C LEU A 57 7.898 8.809 -1.194 1.00 40.21 C ATOM 900 O LEU A 57 8.032 9.980 -0.834 1.00 33.22 O ATOM 901 CB LEU A 57 7.420 7.004 0.552 1.00 63.51 C ATOM 902 CG LEU A 57 8.080 7.699 1.784 1.00 3.13 C ATOM 903 CD1 LEU A 57 7.133 8.747 2.424 1.00 20.54 C ATOM 904 CD2 LEU A 57 8.542 6.640 2.819 1.00 55.34 C ATOM 0 H LEU A 57 6.261 6.127 -1.446 1.00 55.53 H new ATOM 0 HA LEU A 57 6.103 8.604 -0.055 1.00 51.34 H new ATOM 0 HB2 LEU A 57 6.632 6.345 0.916 1.00 63.51 H new ATOM 0 HB3 LEU A 57 8.170 6.372 0.077 1.00 63.51 H new ATOM 0 HG LEU A 57 8.960 8.240 1.436 1.00 3.13 H new ATOM 0 HD11 LEU A 57 7.627 9.210 3.278 1.00 20.54 H new ATOM 0 HD12 LEU A 57 6.887 9.513 1.688 1.00 20.54 H new ATOM 0 HD13 LEU A 57 6.218 8.256 2.756 1.00 20.54 H new ATOM 0 HD21 LEU A 57 9.000 7.141 3.672 1.00 55.34 H new ATOM 0 HD22 LEU A 57 7.682 6.062 3.157 1.00 55.34 H new ATOM 0 HD23 LEU A 57 9.269 5.972 2.357 1.00 55.34 H new ATOM 916 N THR A 58 8.646 8.256 -2.174 1.00 75.34 N ATOM 917 CA THR A 58 9.681 9.023 -2.909 1.00 53.01 C ATOM 918 C THR A 58 9.042 10.128 -3.785 1.00 34.20 C ATOM 919 O THR A 58 9.657 11.179 -4.010 1.00 72.33 O ATOM 920 CB THR A 58 10.631 8.103 -3.765 1.00 64.23 C ATOM 921 OG1 THR A 58 9.869 7.241 -4.615 1.00 52.44 O ATOM 922 CG2 THR A 58 11.561 7.249 -2.882 1.00 4.30 C ATOM 0 H THR A 58 8.555 7.286 -2.475 1.00 75.34 H new ATOM 0 HA THR A 58 10.306 9.500 -2.154 1.00 53.01 H new ATOM 0 HB THR A 58 11.248 8.767 -4.370 1.00 64.23 H new ATOM 0 HG1 THR A 58 8.913 7.370 -4.440 1.00 52.44 H new ATOM 0 HG21 THR A 58 12.197 6.631 -3.515 1.00 4.30 H new ATOM 0 HG22 THR A 58 12.183 7.902 -2.270 1.00 4.30 H new ATOM 0 HG23 THR A 58 10.961 6.609 -2.235 1.00 4.30 H new ATOM 930 N LYS A 59 7.795 9.891 -4.256 1.00 50.12 N ATOM 931 CA LYS A 59 7.001 10.920 -4.973 1.00 74.10 C ATOM 932 C LYS A 59 6.460 11.991 -3.966 1.00 32.13 C ATOM 933 O LYS A 59 6.416 13.191 -4.271 1.00 54.24 O ATOM 934 CB LYS A 59 5.800 10.261 -5.718 1.00 34.33 C ATOM 935 CG LYS A 59 6.119 9.041 -6.607 1.00 25.15 C ATOM 936 CD LYS A 59 6.929 9.352 -7.882 1.00 42.45 C ATOM 937 CE LYS A 59 7.189 8.072 -8.699 1.00 43.41 C ATOM 938 NZ LYS A 59 7.863 8.354 -9.988 1.00 5.23 N ATOM 0 H LYS A 59 7.316 8.996 -4.153 1.00 50.12 H new ATOM 0 HA LYS A 59 7.652 11.405 -5.700 1.00 74.10 H new ATOM 0 HB2 LYS A 59 5.064 9.956 -4.974 1.00 34.33 H new ATOM 0 HB3 LYS A 59 5.328 11.021 -6.340 1.00 34.33 H new ATOM 0 HG2 LYS A 59 6.672 8.313 -6.013 1.00 25.15 H new ATOM 0 HG3 LYS A 59 5.181 8.568 -6.898 1.00 25.15 H new ATOM 0 HD2 LYS A 59 6.388 10.074 -8.494 1.00 42.45 H new ATOM 0 HD3 LYS A 59 7.879 9.813 -7.610 1.00 42.45 H new ATOM 0 HE2 LYS A 59 7.803 7.388 -8.113 1.00 43.41 H new ATOM 0 HE3 LYS A 59 6.242 7.567 -8.890 1.00 43.41 H new ATOM 0 HZ1 LYS A 59 8.017 7.463 -10.502 1.00 5.23 H new ATOM 0 HZ2 LYS A 59 7.267 8.985 -10.561 1.00 5.23 H new ATOM 0 HZ3 LYS A 59 8.779 8.812 -9.808 1.00 5.23 H new ATOM 952 N SER A 60 6.048 11.520 -2.766 1.00 54.31 N ATOM 953 CA SER A 60 5.338 12.334 -1.739 1.00 50.20 C ATOM 954 C SER A 60 6.266 13.161 -0.833 1.00 2.24 C ATOM 955 O SER A 60 5.810 14.138 -0.222 1.00 42.24 O ATOM 956 CB SER A 60 4.441 11.424 -0.864 1.00 43.23 C ATOM 957 OG SER A 60 3.388 10.858 -1.627 1.00 64.33 O ATOM 0 H SER A 60 6.199 10.554 -2.476 1.00 54.31 H new ATOM 0 HA SER A 60 4.736 13.051 -2.298 1.00 50.20 H new ATOM 0 HB2 SER A 60 5.043 10.629 -0.424 1.00 43.23 H new ATOM 0 HB3 SER A 60 4.026 12.003 -0.039 1.00 43.23 H new ATOM 0 HG SER A 60 3.727 10.092 -2.135 1.00 64.33 H new ATOM 963 N ARG A 61 7.558 12.791 -0.740 1.00 12.31 N ATOM 964 CA ARG A 61 8.489 13.391 0.256 1.00 4.21 C ATOM 965 C ARG A 61 8.922 14.842 -0.140 1.00 63.23 C ATOM 966 O ARG A 61 9.824 15.422 0.477 1.00 60.11 O ATOM 967 CB ARG A 61 9.725 12.461 0.494 1.00 24.45 C ATOM 968 CG ARG A 61 10.375 12.601 1.902 1.00 62.11 C ATOM 969 CD ARG A 61 9.471 12.087 3.067 1.00 14.52 C ATOM 970 NE ARG A 61 9.282 13.092 4.138 1.00 33.23 N ATOM 971 CZ ARG A 61 10.164 13.382 5.109 1.00 73.43 C ATOM 972 NH1 ARG A 61 11.329 12.757 5.180 1.00 5.21 N ATOM 973 NH2 ARG A 61 9.862 14.306 6.007 1.00 11.13 N ATOM 0 H ARG A 61 7.987 12.083 -1.336 1.00 12.31 H new ATOM 0 HA ARG A 61 7.948 13.477 1.199 1.00 4.21 H new ATOM 0 HB2 ARG A 61 9.418 11.425 0.351 1.00 24.45 H new ATOM 0 HB3 ARG A 61 10.478 12.678 -0.263 1.00 24.45 H new ATOM 0 HG2 ARG A 61 11.316 12.050 1.914 1.00 62.11 H new ATOM 0 HG3 ARG A 61 10.617 13.649 2.078 1.00 62.11 H new ATOM 0 HD2 ARG A 61 8.498 11.803 2.667 1.00 14.52 H new ATOM 0 HD3 ARG A 61 9.914 11.188 3.494 1.00 14.52 H new ATOM 0 HE ARG A 61 8.404 13.610 4.139 1.00 33.23 H new ATOM 0 HH11 ARG A 61 11.568 12.044 4.491 1.00 5.21 H new ATOM 0 HH12 ARG A 61 11.988 12.989 5.923 1.00 5.21 H new ATOM 0 HH21 ARG A 61 8.966 14.791 5.958 1.00 11.13 H new ATOM 0 HH22 ARG A 61 10.525 14.533 6.748 1.00 11.13 H new ATOM 987 N ASP A 62 8.270 15.405 -1.178 1.00 73.40 N ATOM 988 CA ASP A 62 8.299 16.846 -1.486 1.00 13.14 C ATOM 989 C ASP A 62 6.927 17.261 -2.052 1.00 11.31 C ATOM 990 O ASP A 62 6.188 18.027 -1.419 1.00 51.41 O ATOM 991 CB ASP A 62 9.440 17.202 -2.474 1.00 4.33 C ATOM 992 CG ASP A 62 9.502 18.712 -2.771 1.00 10.44 C ATOM 993 OD1 ASP A 62 9.906 19.476 -1.867 1.00 3.21 O ATOM 994 OD2 ASP A 62 9.137 19.142 -3.889 1.00 75.10 O ATOM 0 H ASP A 62 7.703 14.865 -1.832 1.00 73.40 H new ATOM 0 HA ASP A 62 8.500 17.399 -0.568 1.00 13.14 H new ATOM 0 HB2 ASP A 62 10.393 16.876 -2.058 1.00 4.33 H new ATOM 0 HB3 ASP A 62 9.295 16.656 -3.406 1.00 4.33 H new ATOM 999 N GLY A 63 6.587 16.724 -3.242 1.00 2.45 N ATOM 1000 CA GLY A 63 5.302 17.008 -3.891 1.00 15.13 C ATOM 1001 C GLY A 63 5.365 16.866 -5.406 1.00 12.40 C ATOM 1002 O GLY A 63 4.944 17.764 -6.143 1.00 24.43 O ATOM 0 H GLY A 63 7.189 16.091 -3.769 1.00 2.45 H new ATOM 0 HA2 GLY A 63 4.544 16.331 -3.498 1.00 15.13 H new ATOM 0 HA3 GLY A 63 4.988 18.020 -3.638 1.00 15.13 H new ATOM 1006 N LEU A 64 5.891 15.721 -5.869 1.00 31.33 N ATOM 1007 CA LEU A 64 5.955 15.363 -7.306 1.00 53.24 C ATOM 1008 C LEU A 64 5.117 14.084 -7.515 1.00 44.14 C ATOM 1009 O LEU A 64 5.495 13.153 -8.243 1.00 13.21 O ATOM 1010 CB LEU A 64 7.437 15.215 -7.811 1.00 74.14 C ATOM 1011 CG LEU A 64 8.385 14.238 -7.027 1.00 54.44 C ATOM 1012 CD1 LEU A 64 9.592 13.806 -7.898 1.00 60.12 C ATOM 1013 CD2 LEU A 64 8.871 14.860 -5.693 1.00 63.10 C ATOM 0 H LEU A 64 6.288 15.008 -5.257 1.00 31.33 H new ATOM 0 HA LEU A 64 5.535 16.167 -7.911 1.00 53.24 H new ATOM 0 HB2 LEU A 64 7.405 14.888 -8.850 1.00 74.14 H new ATOM 0 HB3 LEU A 64 7.894 16.204 -7.802 1.00 74.14 H new ATOM 0 HG LEU A 64 7.801 13.349 -6.788 1.00 54.44 H new ATOM 0 HD11 LEU A 64 10.229 13.130 -7.327 1.00 60.12 H new ATOM 0 HD12 LEU A 64 9.232 13.297 -8.792 1.00 60.12 H new ATOM 0 HD13 LEU A 64 10.165 14.687 -8.188 1.00 60.12 H new ATOM 0 HD21 LEU A 64 9.524 14.155 -5.179 1.00 63.10 H new ATOM 0 HD22 LEU A 64 9.420 15.779 -5.899 1.00 63.10 H new ATOM 0 HD23 LEU A 64 8.011 15.084 -5.062 1.00 63.10 H new ATOM 1025 N ILE A 65 3.943 14.085 -6.857 1.00 25.34 N ATOM 1026 CA ILE A 65 2.959 13.003 -6.896 1.00 71.44 C ATOM 1027 C ILE A 65 1.609 13.590 -7.337 1.00 63.03 C ATOM 1028 O ILE A 65 0.965 14.354 -6.598 1.00 41.23 O ATOM 1029 CB ILE A 65 2.857 12.248 -5.508 1.00 1.12 C ATOM 1030 CG1 ILE A 65 1.776 11.119 -5.554 1.00 52.55 C ATOM 1031 CG2 ILE A 65 2.645 13.208 -4.302 1.00 12.32 C ATOM 1032 CD1 ILE A 65 1.776 10.185 -4.348 1.00 45.10 C ATOM 0 H ILE A 65 3.650 14.865 -6.268 1.00 25.34 H new ATOM 0 HA ILE A 65 3.275 12.249 -7.617 1.00 71.44 H new ATOM 0 HB ILE A 65 3.825 11.776 -5.342 1.00 1.12 H new ATOM 0 HG12 ILE A 65 0.792 11.580 -5.639 1.00 52.55 H new ATOM 0 HG13 ILE A 65 1.928 10.526 -6.456 1.00 52.55 H new ATOM 0 HG21 ILE A 65 2.583 12.628 -3.381 1.00 12.32 H new ATOM 0 HG22 ILE A 65 3.483 13.902 -4.238 1.00 12.32 H new ATOM 0 HG23 ILE A 65 1.720 13.768 -4.441 1.00 12.32 H new ATOM 0 HD11 ILE A 65 0.994 9.435 -4.468 1.00 45.10 H new ATOM 0 HD12 ILE A 65 2.744 9.690 -4.271 1.00 45.10 H new ATOM 0 HD13 ILE A 65 1.590 10.761 -3.442 1.00 45.10 H new ATOM 1044 N THR A 66 1.237 13.289 -8.586 1.00 60.32 N ATOM 1045 CA THR A 66 -0.055 13.687 -9.152 1.00 42.13 C ATOM 1046 C THR A 66 -1.191 12.919 -8.451 1.00 63.22 C ATOM 1047 O THR A 66 -1.003 11.757 -8.054 1.00 74.23 O ATOM 1048 CB THR A 66 -0.088 13.441 -10.702 1.00 64.41 C ATOM 1049 OG1 THR A 66 0.307 12.091 -11.004 1.00 54.34 O ATOM 1050 CG2 THR A 66 0.832 14.424 -11.442 1.00 14.05 C ATOM 0 H THR A 66 1.824 12.762 -9.233 1.00 60.32 H new ATOM 0 HA THR A 66 -0.197 14.755 -8.984 1.00 42.13 H new ATOM 0 HB THR A 66 -1.111 13.603 -11.040 1.00 64.41 H new ATOM 0 HG1 THR A 66 0.280 11.951 -11.974 1.00 54.34 H new ATOM 0 HG21 THR A 66 0.787 14.228 -12.513 1.00 14.05 H new ATOM 0 HG22 THR A 66 0.506 15.445 -11.246 1.00 14.05 H new ATOM 0 HG23 THR A 66 1.857 14.297 -11.092 1.00 14.05 H new ATOM 1058 N THR A 67 -2.368 13.572 -8.319 1.00 61.35 N ATOM 1059 CA THR A 67 -3.515 13.030 -7.549 1.00 32.43 C ATOM 1060 C THR A 67 -4.003 11.685 -8.135 1.00 54.15 C ATOM 1061 O THR A 67 -4.504 10.832 -7.401 1.00 52.21 O ATOM 1062 CB THR A 67 -4.701 14.070 -7.470 1.00 71.43 C ATOM 1063 OG1 THR A 67 -5.686 13.674 -6.488 1.00 20.22 O ATOM 1064 CG2 THR A 67 -5.394 14.273 -8.833 1.00 41.21 C ATOM 0 H THR A 67 -2.551 14.483 -8.739 1.00 61.35 H new ATOM 0 HA THR A 67 -3.163 12.846 -6.534 1.00 32.43 H new ATOM 0 HB THR A 67 -4.252 15.017 -7.169 1.00 71.43 H new ATOM 0 HG1 THR A 67 -6.407 14.338 -6.461 1.00 20.22 H new ATOM 0 HG21 THR A 67 -6.202 14.997 -8.726 1.00 41.21 H new ATOM 0 HG22 THR A 67 -4.669 14.643 -9.558 1.00 41.21 H new ATOM 0 HG23 THR A 67 -5.801 13.323 -9.179 1.00 41.21 H new ATOM 1072 N VAL A 68 -3.783 11.495 -9.455 1.00 64.44 N ATOM 1073 CA VAL A 68 -4.232 10.303 -10.199 1.00 11.04 C ATOM 1074 C VAL A 68 -3.622 9.010 -9.613 1.00 30.33 C ATOM 1075 O VAL A 68 -4.282 7.970 -9.581 1.00 41.44 O ATOM 1076 CB VAL A 68 -3.867 10.426 -11.726 1.00 21.32 C ATOM 1077 CG1 VAL A 68 -4.447 9.248 -12.554 1.00 24.23 C ATOM 1078 CG2 VAL A 68 -4.320 11.797 -12.292 1.00 70.13 C ATOM 0 H VAL A 68 -3.285 12.170 -10.035 1.00 64.44 H new ATOM 0 HA VAL A 68 -5.316 10.246 -10.099 1.00 11.04 H new ATOM 0 HB VAL A 68 -2.782 10.369 -11.812 1.00 21.32 H new ATOM 0 HG11 VAL A 68 -4.173 9.370 -13.602 1.00 24.23 H new ATOM 0 HG12 VAL A 68 -4.043 8.307 -12.181 1.00 24.23 H new ATOM 0 HG13 VAL A 68 -5.533 9.238 -12.462 1.00 24.23 H new ATOM 0 HG21 VAL A 68 -4.057 11.859 -13.348 1.00 70.13 H new ATOM 0 HG22 VAL A 68 -5.399 11.898 -12.180 1.00 70.13 H new ATOM 0 HG23 VAL A 68 -3.822 12.598 -11.746 1.00 70.13 H new ATOM 1088 N TYR A 69 -2.372 9.121 -9.114 1.00 75.34 N ATOM 1089 CA TYR A 69 -1.630 7.991 -8.515 1.00 33.24 C ATOM 1090 C TYR A 69 -2.334 7.483 -7.232 1.00 12.14 C ATOM 1091 O TYR A 69 -2.243 6.311 -6.929 1.00 63.42 O ATOM 1092 CB TYR A 69 -0.142 8.410 -8.252 1.00 13.41 C ATOM 1093 CG TYR A 69 0.824 7.328 -7.688 1.00 32.32 C ATOM 1094 CD1 TYR A 69 0.602 5.950 -7.848 1.00 75.55 C ATOM 1095 CD2 TYR A 69 1.974 7.706 -6.988 1.00 25.10 C ATOM 1096 CE1 TYR A 69 1.478 5.010 -7.325 1.00 60.33 C ATOM 1097 CE2 TYR A 69 2.846 6.773 -6.470 1.00 5.55 C ATOM 1098 CZ TYR A 69 2.598 5.429 -6.631 1.00 3.00 C ATOM 1099 OH TYR A 69 3.472 4.504 -6.087 1.00 70.13 O ATOM 0 H TYR A 69 -1.849 9.997 -9.115 1.00 75.34 H new ATOM 0 HA TYR A 69 -1.621 7.156 -9.216 1.00 33.24 H new ATOM 0 HB2 TYR A 69 0.275 8.775 -9.191 1.00 13.41 H new ATOM 0 HB3 TYR A 69 -0.148 9.250 -7.557 1.00 13.41 H new ATOM 0 HD1 TYR A 69 -0.270 5.615 -8.390 1.00 75.55 H new ATOM 0 HD2 TYR A 69 2.184 8.756 -6.850 1.00 25.10 H new ATOM 0 HE1 TYR A 69 1.286 3.956 -7.459 1.00 60.33 H new ATOM 0 HE2 TYR A 69 3.727 7.098 -5.936 1.00 5.55 H new ATOM 0 HH TYR A 69 4.341 4.573 -6.534 1.00 70.13 H new ATOM 1109 N PHE A 70 -3.054 8.360 -6.504 1.00 23.02 N ATOM 1110 CA PHE A 70 -3.819 7.955 -5.287 1.00 11.34 C ATOM 1111 C PHE A 70 -5.032 7.060 -5.648 1.00 10.53 C ATOM 1112 O PHE A 70 -5.252 6.016 -5.017 1.00 31.53 O ATOM 1113 CB PHE A 70 -4.289 9.198 -4.488 1.00 61.14 C ATOM 1114 CG PHE A 70 -3.147 9.995 -3.846 1.00 25.25 C ATOM 1115 CD1 PHE A 70 -2.493 9.512 -2.710 1.00 65.21 C ATOM 1116 CD2 PHE A 70 -2.733 11.222 -4.364 1.00 33.35 C ATOM 1117 CE1 PHE A 70 -1.468 10.226 -2.119 1.00 42.51 C ATOM 1118 CE2 PHE A 70 -1.710 11.939 -3.771 1.00 4.14 C ATOM 1119 CZ PHE A 70 -1.080 11.442 -2.644 1.00 52.10 C ATOM 0 H PHE A 70 -3.127 9.352 -6.729 1.00 23.02 H new ATOM 0 HA PHE A 70 -3.144 7.372 -4.660 1.00 11.34 H new ATOM 0 HB2 PHE A 70 -4.848 9.856 -5.154 1.00 61.14 H new ATOM 0 HB3 PHE A 70 -4.978 8.876 -3.707 1.00 61.14 H new ATOM 0 HD1 PHE A 70 -2.793 8.565 -2.287 1.00 65.21 H new ATOM 0 HD2 PHE A 70 -3.219 11.619 -5.243 1.00 33.35 H new ATOM 0 HE1 PHE A 70 -0.970 9.832 -1.245 1.00 42.51 H new ATOM 0 HE2 PHE A 70 -1.403 12.887 -4.188 1.00 4.14 H new ATOM 0 HZ PHE A 70 -0.286 12.005 -2.176 1.00 52.10 H new ATOM 1129 N TYR A 71 -5.800 7.481 -6.675 1.00 61.20 N ATOM 1130 CA TYR A 71 -6.978 6.726 -7.184 1.00 73.32 C ATOM 1131 C TYR A 71 -6.525 5.378 -7.776 1.00 34.02 C ATOM 1132 O TYR A 71 -7.111 4.312 -7.498 1.00 3.05 O ATOM 1133 CB TYR A 71 -7.722 7.539 -8.282 1.00 23.11 C ATOM 1134 CG TYR A 71 -8.256 8.908 -7.827 1.00 51.41 C ATOM 1135 CD1 TYR A 71 -7.455 10.047 -7.903 1.00 44.24 C ATOM 1136 CD2 TYR A 71 -9.561 9.069 -7.331 1.00 63.11 C ATOM 1137 CE1 TYR A 71 -7.917 11.283 -7.508 1.00 14.21 C ATOM 1138 CE2 TYR A 71 -10.026 10.309 -6.936 1.00 50.21 C ATOM 1139 CZ TYR A 71 -9.201 11.410 -7.026 1.00 13.11 C ATOM 1140 OH TYR A 71 -9.666 12.646 -6.632 1.00 34.04 O ATOM 0 H TYR A 71 -5.626 8.351 -7.178 1.00 61.20 H new ATOM 0 HA TYR A 71 -7.656 6.553 -6.348 1.00 73.32 H new ATOM 0 HB2 TYR A 71 -7.044 7.691 -9.122 1.00 23.11 H new ATOM 0 HB3 TYR A 71 -8.558 6.944 -8.650 1.00 23.11 H new ATOM 0 HD1 TYR A 71 -6.447 9.958 -8.281 1.00 44.24 H new ATOM 0 HD2 TYR A 71 -10.211 8.210 -7.257 1.00 63.11 H new ATOM 0 HE1 TYR A 71 -7.275 12.149 -7.576 1.00 14.21 H new ATOM 0 HE2 TYR A 71 -11.032 10.415 -6.558 1.00 50.21 H new ATOM 0 HH TYR A 71 -10.591 12.563 -6.318 1.00 34.04 H new ATOM 1150 N GLU A 72 -5.449 5.472 -8.581 1.00 13.13 N ATOM 1151 CA GLU A 72 -4.808 4.331 -9.241 1.00 41.11 C ATOM 1152 C GLU A 72 -4.328 3.345 -8.174 1.00 1.11 C ATOM 1153 O GLU A 72 -4.603 2.161 -8.274 1.00 52.21 O ATOM 1154 CB GLU A 72 -3.621 4.813 -10.140 1.00 23.41 C ATOM 1155 CG GLU A 72 -3.168 3.843 -11.271 1.00 32.31 C ATOM 1156 CD GLU A 72 -2.481 2.541 -10.800 1.00 24.53 C ATOM 1157 OE1 GLU A 72 -1.460 2.625 -10.083 1.00 52.34 O ATOM 1158 OE2 GLU A 72 -2.934 1.433 -11.173 1.00 33.43 O ATOM 0 H GLU A 72 -4.997 6.362 -8.791 1.00 13.13 H new ATOM 0 HA GLU A 72 -5.527 3.831 -9.890 1.00 41.11 H new ATOM 0 HB2 GLU A 72 -3.902 5.762 -10.597 1.00 23.41 H new ATOM 0 HB3 GLU A 72 -2.764 5.011 -9.496 1.00 23.41 H new ATOM 0 HG2 GLU A 72 -4.041 3.577 -11.868 1.00 32.31 H new ATOM 0 HG3 GLU A 72 -2.482 4.376 -11.929 1.00 32.31 H new ATOM 1165 N LEU A 73 -3.667 3.885 -7.129 1.00 15.52 N ATOM 1166 CA LEU A 73 -3.093 3.082 -6.031 1.00 21.02 C ATOM 1167 C LEU A 73 -4.199 2.373 -5.241 1.00 35.25 C ATOM 1168 O LEU A 73 -4.022 1.223 -4.854 1.00 43.20 O ATOM 1169 CB LEU A 73 -2.223 3.953 -5.076 1.00 12.41 C ATOM 1170 CG LEU A 73 -1.413 3.184 -3.979 1.00 11.04 C ATOM 1171 CD1 LEU A 73 -0.477 2.124 -4.606 1.00 15.12 C ATOM 1172 CD2 LEU A 73 -0.630 4.167 -3.075 1.00 54.25 C ATOM 0 H LEU A 73 -3.517 4.888 -7.023 1.00 15.52 H new ATOM 0 HA LEU A 73 -2.445 2.330 -6.482 1.00 21.02 H new ATOM 0 HB2 LEU A 73 -1.520 4.526 -5.681 1.00 12.41 H new ATOM 0 HB3 LEU A 73 -2.875 4.671 -4.579 1.00 12.41 H new ATOM 0 HG LEU A 73 -2.128 2.653 -3.350 1.00 11.04 H new ATOM 0 HD11 LEU A 73 0.070 1.609 -3.816 1.00 15.12 H new ATOM 0 HD12 LEU A 73 -1.070 1.402 -5.167 1.00 15.12 H new ATOM 0 HD13 LEU A 73 0.229 2.613 -5.277 1.00 15.12 H new ATOM 0 HD21 LEU A 73 -0.076 3.606 -2.322 1.00 54.25 H new ATOM 0 HD22 LEU A 73 0.067 4.744 -3.683 1.00 54.25 H new ATOM 0 HD23 LEU A 73 -1.328 4.844 -2.583 1.00 54.25 H new ATOM 1184 N GLN A 74 -5.345 3.063 -5.029 1.00 1.41 N ATOM 1185 CA GLN A 74 -6.512 2.473 -4.342 1.00 65.32 C ATOM 1186 C GLN A 74 -7.002 1.233 -5.111 1.00 20.10 C ATOM 1187 O GLN A 74 -6.960 0.114 -4.602 1.00 44.11 O ATOM 1188 CB GLN A 74 -7.682 3.498 -4.216 1.00 4.41 C ATOM 1189 CG GLN A 74 -8.941 2.915 -3.531 1.00 5.13 C ATOM 1190 CD GLN A 74 -10.187 3.788 -3.651 1.00 3.35 C ATOM 1191 OE1 GLN A 74 -10.431 4.676 -2.830 1.00 34.21 O ATOM 1192 NE2 GLN A 74 -11.017 3.502 -4.649 1.00 23.32 N ATOM 0 H GLN A 74 -5.483 4.029 -5.325 1.00 1.41 H new ATOM 0 HA GLN A 74 -6.196 2.188 -3.338 1.00 65.32 H new ATOM 0 HB2 GLN A 74 -7.337 4.363 -3.650 1.00 4.41 H new ATOM 0 HB3 GLN A 74 -7.951 3.855 -5.210 1.00 4.41 H new ATOM 0 HG2 GLN A 74 -9.155 1.937 -3.963 1.00 5.13 H new ATOM 0 HG3 GLN A 74 -8.724 2.756 -2.475 1.00 5.13 H new ATOM 0 HE21 GLN A 74 -10.784 2.761 -5.310 1.00 23.32 H new ATOM 0 HE22 GLN A 74 -11.887 4.024 -4.754 1.00 23.32 H new ATOM 1201 N GLU A 75 -7.387 1.465 -6.372 1.00 73.50 N ATOM 1202 CA GLU A 75 -8.029 0.450 -7.231 1.00 51.31 C ATOM 1203 C GLU A 75 -7.052 -0.691 -7.614 1.00 45.03 C ATOM 1204 O GLU A 75 -7.467 -1.846 -7.797 1.00 11.11 O ATOM 1205 CB GLU A 75 -8.614 1.172 -8.467 1.00 2.13 C ATOM 1206 CG GLU A 75 -9.692 2.223 -8.097 1.00 10.14 C ATOM 1207 CD GLU A 75 -10.158 3.081 -9.283 1.00 3.24 C ATOM 1208 OE1 GLU A 75 -11.069 2.652 -10.021 1.00 64.32 O ATOM 1209 OE2 GLU A 75 -9.611 4.189 -9.485 1.00 14.05 O ATOM 0 H GLU A 75 -7.263 2.367 -6.832 1.00 73.50 H new ATOM 0 HA GLU A 75 -8.835 -0.041 -6.686 1.00 51.31 H new ATOM 0 HB2 GLU A 75 -7.807 1.663 -9.011 1.00 2.13 H new ATOM 0 HB3 GLU A 75 -9.049 0.434 -9.141 1.00 2.13 H new ATOM 0 HG2 GLU A 75 -10.554 1.710 -7.671 1.00 10.14 H new ATOM 0 HG3 GLU A 75 -9.296 2.878 -7.321 1.00 10.14 H new ATOM 1216 N ASN A 76 -5.747 -0.359 -7.674 1.00 13.40 N ATOM 1217 CA ASN A 76 -4.670 -1.323 -7.961 1.00 50.42 C ATOM 1218 C ASN A 76 -4.463 -2.235 -6.751 1.00 73.54 C ATOM 1219 O ASN A 76 -4.427 -3.455 -6.895 1.00 52.23 O ATOM 1220 CB ASN A 76 -3.361 -0.575 -8.333 1.00 74.23 C ATOM 1221 CG ASN A 76 -2.132 -1.472 -8.404 1.00 75.34 C ATOM 1222 OD1 ASN A 76 -1.838 -2.080 -9.434 1.00 2.33 O ATOM 1223 ND2 ASN A 76 -1.389 -1.548 -7.313 1.00 51.55 N ATOM 0 H ASN A 76 -5.410 0.592 -7.523 1.00 13.40 H new ATOM 0 HA ASN A 76 -4.953 -1.940 -8.814 1.00 50.42 H new ATOM 0 HB2 ASN A 76 -3.496 -0.085 -9.297 1.00 74.23 H new ATOM 0 HB3 ASN A 76 -3.183 0.210 -7.599 1.00 74.23 H new ATOM 0 HD21 ASN A 76 -0.546 -2.122 -7.309 1.00 51.55 H new ATOM 0 HD22 ASN A 76 -1.659 -1.032 -6.475 1.00 51.55 H new ATOM 1230 N LEU A 77 -4.363 -1.622 -5.551 1.00 44.11 N ATOM 1231 CA LEU A 77 -4.235 -2.363 -4.280 1.00 61.50 C ATOM 1232 C LEU A 77 -5.491 -3.210 -4.023 1.00 45.04 C ATOM 1233 O LEU A 77 -5.388 -4.260 -3.403 1.00 72.31 O ATOM 1234 CB LEU A 77 -3.986 -1.412 -3.069 1.00 51.21 C ATOM 1235 CG LEU A 77 -2.551 -0.809 -2.908 1.00 34.33 C ATOM 1236 CD1 LEU A 77 -2.495 0.167 -1.699 1.00 73.22 C ATOM 1237 CD2 LEU A 77 -1.488 -1.933 -2.787 1.00 74.12 C ATOM 0 H LEU A 77 -4.369 -0.608 -5.438 1.00 44.11 H new ATOM 0 HA LEU A 77 -3.367 -3.016 -4.377 1.00 61.50 H new ATOM 0 HB2 LEU A 77 -4.693 -0.585 -3.140 1.00 51.21 H new ATOM 0 HB3 LEU A 77 -4.226 -1.959 -2.157 1.00 51.21 H new ATOM 0 HG LEU A 77 -2.318 -0.235 -3.805 1.00 34.33 H new ATOM 0 HD11 LEU A 77 -1.488 0.574 -1.606 1.00 73.22 H new ATOM 0 HD12 LEU A 77 -3.203 0.981 -1.856 1.00 73.22 H new ATOM 0 HD13 LEU A 77 -2.755 -0.369 -0.786 1.00 73.22 H new ATOM 0 HD21 LEU A 77 -0.499 -1.488 -2.676 1.00 74.12 H new ATOM 0 HD22 LEU A 77 -1.708 -2.550 -1.916 1.00 74.12 H new ATOM 0 HD23 LEU A 77 -1.509 -2.552 -3.684 1.00 74.12 H new ATOM 1249 N GLU A 78 -6.669 -2.736 -4.501 1.00 41.23 N ATOM 1250 CA GLU A 78 -7.944 -3.471 -4.367 1.00 65.22 C ATOM 1251 C GLU A 78 -7.993 -4.659 -5.337 1.00 41.31 C ATOM 1252 O GLU A 78 -8.555 -5.698 -5.006 1.00 42.11 O ATOM 1253 CB GLU A 78 -9.173 -2.541 -4.546 1.00 53.14 C ATOM 1254 CG GLU A 78 -9.379 -1.549 -3.378 1.00 54.43 C ATOM 1255 CD GLU A 78 -10.614 -0.644 -3.558 1.00 53.22 C ATOM 1256 OE1 GLU A 78 -10.623 0.183 -4.498 1.00 31.22 O ATOM 1257 OE2 GLU A 78 -11.590 -0.775 -2.780 1.00 54.54 O ATOM 0 H GLU A 78 -6.758 -1.842 -4.985 1.00 41.23 H new ATOM 0 HA GLU A 78 -7.991 -3.862 -3.351 1.00 65.22 H new ATOM 0 HB2 GLU A 78 -9.060 -1.978 -5.473 1.00 53.14 H new ATOM 0 HB3 GLU A 78 -10.068 -3.154 -4.653 1.00 53.14 H new ATOM 0 HG2 GLU A 78 -9.480 -2.109 -2.448 1.00 54.43 H new ATOM 0 HG3 GLU A 78 -8.491 -0.925 -3.280 1.00 54.43 H new ATOM 1264 N LYS A 79 -7.380 -4.512 -6.519 1.00 45.15 N ATOM 1265 CA LYS A 79 -7.207 -5.635 -7.467 1.00 51.24 C ATOM 1266 C LYS A 79 -6.318 -6.732 -6.820 1.00 14.32 C ATOM 1267 O LYS A 79 -6.709 -7.902 -6.725 1.00 14.04 O ATOM 1268 CB LYS A 79 -6.597 -5.114 -8.793 1.00 44.30 C ATOM 1269 CG LYS A 79 -6.557 -6.147 -9.941 1.00 1.41 C ATOM 1270 CD LYS A 79 -5.965 -5.551 -11.241 1.00 2.43 C ATOM 1271 CE LYS A 79 -6.045 -6.509 -12.440 1.00 42.14 C ATOM 1272 NZ LYS A 79 -5.442 -5.908 -13.664 1.00 22.41 N ATOM 0 H LYS A 79 -6.993 -3.627 -6.847 1.00 45.15 H new ATOM 0 HA LYS A 79 -8.176 -6.079 -7.697 1.00 51.24 H new ATOM 0 HB2 LYS A 79 -7.170 -4.247 -9.123 1.00 44.30 H new ATOM 0 HB3 LYS A 79 -5.581 -4.770 -8.598 1.00 44.30 H new ATOM 0 HG2 LYS A 79 -5.962 -7.007 -9.633 1.00 1.41 H new ATOM 0 HG3 LYS A 79 -7.566 -6.511 -10.136 1.00 1.41 H new ATOM 0 HD2 LYS A 79 -6.495 -4.630 -11.485 1.00 2.43 H new ATOM 0 HD3 LYS A 79 -4.923 -5.283 -11.068 1.00 2.43 H new ATOM 0 HE2 LYS A 79 -5.530 -7.439 -12.199 1.00 42.14 H new ATOM 0 HE3 LYS A 79 -7.087 -6.763 -12.634 1.00 42.14 H new ATOM 0 HZ1 LYS A 79 -5.513 -6.582 -14.453 1.00 22.41 H new ATOM 0 HZ2 LYS A 79 -5.950 -5.034 -13.908 1.00 22.41 H new ATOM 0 HZ3 LYS A 79 -4.441 -5.688 -13.486 1.00 22.41 H new ATOM 1286 N LEU A 80 -5.160 -6.280 -6.295 1.00 33.04 N ATOM 1287 CA LEU A 80 -4.189 -7.117 -5.552 1.00 72.22 C ATOM 1288 C LEU A 80 -4.829 -7.702 -4.268 1.00 44.34 C ATOM 1289 O LEU A 80 -4.450 -8.782 -3.805 1.00 1.34 O ATOM 1290 CB LEU A 80 -2.949 -6.257 -5.170 1.00 11.42 C ATOM 1291 CG LEU A 80 -2.176 -5.574 -6.347 1.00 63.42 C ATOM 1292 CD1 LEU A 80 -1.075 -4.620 -5.822 1.00 75.03 C ATOM 1293 CD2 LEU A 80 -1.609 -6.621 -7.331 1.00 62.23 C ATOM 0 H LEU A 80 -4.867 -5.306 -6.376 1.00 33.04 H new ATOM 0 HA LEU A 80 -3.885 -7.945 -6.193 1.00 72.22 H new ATOM 0 HB2 LEU A 80 -3.275 -5.479 -4.480 1.00 11.42 H new ATOM 0 HB3 LEU A 80 -2.249 -6.892 -4.627 1.00 11.42 H new ATOM 0 HG LEU A 80 -2.890 -4.965 -6.902 1.00 63.42 H new ATOM 0 HD11 LEU A 80 -0.558 -4.162 -6.665 1.00 75.03 H new ATOM 0 HD12 LEU A 80 -1.530 -3.841 -5.210 1.00 75.03 H new ATOM 0 HD13 LEU A 80 -0.361 -5.184 -5.221 1.00 75.03 H new ATOM 0 HD21 LEU A 80 -1.078 -6.113 -8.136 1.00 62.23 H new ATOM 0 HD22 LEU A 80 -0.921 -7.282 -6.803 1.00 62.23 H new ATOM 0 HD23 LEU A 80 -2.427 -7.208 -7.749 1.00 62.23 H new ATOM 1305 N LEU A 81 -5.788 -6.941 -3.710 1.00 10.01 N ATOM 1306 CA LEU A 81 -6.578 -7.317 -2.522 1.00 63.52 C ATOM 1307 C LEU A 81 -7.475 -8.522 -2.828 1.00 62.43 C ATOM 1308 O LEU A 81 -7.557 -9.456 -2.027 1.00 23.12 O ATOM 1309 CB LEU A 81 -7.471 -6.129 -2.095 1.00 5.31 C ATOM 1310 CG LEU A 81 -8.335 -6.304 -0.825 1.00 72.32 C ATOM 1311 CD1 LEU A 81 -7.484 -6.199 0.440 1.00 52.32 C ATOM 1312 CD2 LEU A 81 -9.510 -5.303 -0.810 1.00 11.53 C ATOM 0 H LEU A 81 -6.042 -6.025 -4.081 1.00 10.01 H new ATOM 0 HA LEU A 81 -5.888 -7.578 -1.720 1.00 63.52 H new ATOM 0 HB2 LEU A 81 -6.828 -5.261 -1.947 1.00 5.31 H new ATOM 0 HB3 LEU A 81 -8.137 -5.894 -2.925 1.00 5.31 H new ATOM 0 HG LEU A 81 -8.763 -7.306 -0.844 1.00 72.32 H new ATOM 0 HD11 LEU A 81 -8.119 -6.326 1.317 1.00 52.32 H new ATOM 0 HD12 LEU A 81 -6.719 -6.976 0.430 1.00 52.32 H new ATOM 0 HD13 LEU A 81 -7.006 -5.220 0.477 1.00 52.32 H new ATOM 0 HD21 LEU A 81 -10.101 -5.449 0.094 1.00 11.53 H new ATOM 0 HD22 LEU A 81 -9.121 -4.285 -0.829 1.00 11.53 H new ATOM 0 HD23 LEU A 81 -10.139 -5.467 -1.685 1.00 11.53 H new ATOM 1324 N GLN A 82 -8.172 -8.473 -3.987 1.00 74.41 N ATOM 1325 CA GLN A 82 -9.054 -9.578 -4.417 1.00 32.04 C ATOM 1326 C GLN A 82 -8.210 -10.823 -4.747 1.00 61.42 C ATOM 1327 O GLN A 82 -8.599 -11.939 -4.406 1.00 2.23 O ATOM 1328 CB GLN A 82 -9.973 -9.187 -5.618 1.00 62.13 C ATOM 1329 CG GLN A 82 -10.691 -7.820 -5.493 1.00 61.25 C ATOM 1330 CD GLN A 82 -11.404 -7.565 -4.149 1.00 32.41 C ATOM 1331 OE1 GLN A 82 -11.933 -8.480 -3.510 1.00 24.13 O ATOM 1332 NE2 GLN A 82 -11.399 -6.311 -3.702 1.00 51.52 N ATOM 0 H GLN A 82 -8.140 -7.686 -4.635 1.00 74.41 H new ATOM 0 HA GLN A 82 -9.722 -9.806 -3.586 1.00 32.04 H new ATOM 0 HB2 GLN A 82 -9.370 -9.179 -6.526 1.00 62.13 H new ATOM 0 HB3 GLN A 82 -10.728 -9.964 -5.743 1.00 62.13 H new ATOM 0 HG2 GLN A 82 -9.958 -7.029 -5.652 1.00 61.25 H new ATOM 0 HG3 GLN A 82 -11.425 -7.740 -6.295 1.00 61.25 H new ATOM 0 HE21 GLN A 82 -10.954 -5.576 -4.251 1.00 51.52 H new ATOM 0 HE22 GLN A 82 -11.840 -6.086 -2.810 1.00 51.52 H new ATOM 1341 N ASP A 83 -7.035 -10.602 -5.390 1.00 54.44 N ATOM 1342 CA ASP A 83 -6.026 -11.669 -5.637 1.00 63.31 C ATOM 1343 C ASP A 83 -5.510 -12.275 -4.313 1.00 35.55 C ATOM 1344 O ASP A 83 -5.217 -13.478 -4.239 1.00 10.21 O ATOM 1345 CB ASP A 83 -4.832 -11.123 -6.477 1.00 53.35 C ATOM 1346 CG ASP A 83 -5.138 -11.009 -7.984 1.00 64.00 C ATOM 1347 OD1 ASP A 83 -4.943 -12.007 -8.719 1.00 51.14 O ATOM 1348 OD2 ASP A 83 -5.564 -9.926 -8.447 1.00 31.34 O ATOM 0 H ASP A 83 -6.760 -9.688 -5.750 1.00 54.44 H new ATOM 0 HA ASP A 83 -6.520 -12.458 -6.203 1.00 63.31 H new ATOM 0 HB2 ASP A 83 -4.550 -10.141 -6.097 1.00 53.35 H new ATOM 0 HB3 ASP A 83 -3.972 -11.778 -6.338 1.00 53.35 H new ATOM 1353 N ALA A 84 -5.392 -11.423 -3.281 1.00 33.21 N ATOM 1354 CA ALA A 84 -4.980 -11.839 -1.933 1.00 44.42 C ATOM 1355 C ALA A 84 -6.040 -12.737 -1.270 1.00 22.15 C ATOM 1356 O ALA A 84 -5.709 -13.797 -0.727 1.00 44.33 O ATOM 1357 CB ALA A 84 -4.687 -10.607 -1.065 1.00 1.52 C ATOM 0 H ALA A 84 -5.581 -10.424 -3.360 1.00 33.21 H new ATOM 0 HA ALA A 84 -4.067 -12.428 -2.025 1.00 44.42 H new ATOM 0 HB1 ALA A 84 -4.383 -10.928 -0.069 1.00 1.52 H new ATOM 0 HB2 ALA A 84 -3.886 -10.024 -1.519 1.00 1.52 H new ATOM 0 HB3 ALA A 84 -5.584 -9.993 -0.990 1.00 1.52 H new ATOM 1363 N TYR A 85 -7.316 -12.303 -1.353 1.00 31.31 N ATOM 1364 CA TYR A 85 -8.471 -13.016 -0.750 1.00 34.42 C ATOM 1365 C TYR A 85 -8.645 -14.457 -1.297 1.00 13.21 C ATOM 1366 O TYR A 85 -9.162 -15.324 -0.586 1.00 14.03 O ATOM 1367 CB TYR A 85 -9.788 -12.197 -0.944 1.00 12.03 C ATOM 1368 CG TYR A 85 -9.988 -11.026 0.049 1.00 71.21 C ATOM 1369 CD1 TYR A 85 -9.896 -11.235 1.433 1.00 61.24 C ATOM 1370 CD2 TYR A 85 -10.298 -9.728 -0.386 1.00 24.33 C ATOM 1371 CE1 TYR A 85 -10.107 -10.201 2.334 1.00 2.43 C ATOM 1372 CE2 TYR A 85 -10.504 -8.702 0.516 1.00 64.23 C ATOM 1373 CZ TYR A 85 -10.403 -8.938 1.870 1.00 3.02 C ATOM 1374 OH TYR A 85 -10.603 -7.903 2.764 1.00 1.53 O ATOM 0 H TYR A 85 -7.578 -11.446 -1.841 1.00 31.31 H new ATOM 0 HA TYR A 85 -8.257 -13.107 0.315 1.00 34.42 H new ATOM 0 HB2 TYR A 85 -9.803 -11.799 -1.959 1.00 12.03 H new ATOM 0 HB3 TYR A 85 -10.636 -12.876 -0.855 1.00 12.03 H new ATOM 0 HD1 TYR A 85 -9.656 -12.220 1.805 1.00 61.24 H new ATOM 0 HD2 TYR A 85 -10.377 -9.528 -1.444 1.00 24.33 H new ATOM 0 HE1 TYR A 85 -10.039 -10.386 3.396 1.00 2.43 H new ATOM 0 HE2 TYR A 85 -10.745 -7.712 0.159 1.00 64.23 H new ATOM 0 HH TYR A 85 -10.801 -7.079 2.272 1.00 1.53 H new ATOM 1384 N GLU A 86 -8.211 -14.699 -2.549 1.00 20.41 N ATOM 1385 CA GLU A 86 -8.341 -16.019 -3.214 1.00 43.04 C ATOM 1386 C GLU A 86 -7.403 -17.074 -2.592 1.00 40.12 C ATOM 1387 O GLU A 86 -7.766 -18.252 -2.476 1.00 20.35 O ATOM 1388 CB GLU A 86 -8.029 -15.884 -4.728 1.00 65.43 C ATOM 1389 CG GLU A 86 -8.942 -14.908 -5.488 1.00 33.12 C ATOM 1390 CD GLU A 86 -8.576 -14.769 -6.977 1.00 32.31 C ATOM 1391 OE1 GLU A 86 -7.486 -14.245 -7.281 1.00 60.33 O ATOM 1392 OE2 GLU A 86 -9.363 -15.198 -7.846 1.00 34.24 O ATOM 0 H GLU A 86 -7.762 -13.991 -3.130 1.00 20.41 H new ATOM 0 HA GLU A 86 -9.368 -16.354 -3.072 1.00 43.04 H new ATOM 0 HB2 GLU A 86 -6.995 -15.558 -4.844 1.00 65.43 H new ATOM 0 HB3 GLU A 86 -8.107 -16.868 -5.190 1.00 65.43 H new ATOM 0 HG2 GLU A 86 -9.975 -15.247 -5.405 1.00 33.12 H new ATOM 0 HG3 GLU A 86 -8.889 -13.928 -5.015 1.00 33.12 H new ATOM 1399 N ARG A 87 -6.200 -16.636 -2.195 1.00 32.13 N ATOM 1400 CA ARG A 87 -5.107 -17.543 -1.785 1.00 45.34 C ATOM 1401 C ARG A 87 -5.173 -17.909 -0.301 1.00 14.24 C ATOM 1402 O ARG A 87 -6.036 -17.400 0.420 1.00 54.35 O ATOM 1403 CB ARG A 87 -3.748 -16.913 -2.161 1.00 43.42 C ATOM 1404 CG ARG A 87 -3.542 -16.791 -3.682 1.00 71.44 C ATOM 1405 CD ARG A 87 -3.620 -18.156 -4.395 1.00 10.34 C ATOM 1406 NE ARG A 87 -3.392 -18.044 -5.844 1.00 41.25 N ATOM 1407 CZ ARG A 87 -3.237 -19.085 -6.682 1.00 71.11 C ATOM 1408 NH1 ARG A 87 -3.287 -20.340 -6.241 1.00 45.35 N ATOM 1409 NH2 ARG A 87 -3.024 -18.851 -7.965 1.00 23.32 N ATOM 0 H ARG A 87 -5.953 -15.648 -2.147 1.00 32.13 H new ATOM 0 HA ARG A 87 -5.224 -18.483 -2.325 1.00 45.34 H new ATOM 0 HB2 ARG A 87 -3.675 -15.924 -1.709 1.00 43.42 H new ATOM 0 HB3 ARG A 87 -2.945 -17.516 -1.738 1.00 43.42 H new ATOM 0 HG2 ARG A 87 -4.298 -16.124 -4.096 1.00 71.44 H new ATOM 0 HG3 ARG A 87 -2.572 -16.335 -3.880 1.00 71.44 H new ATOM 0 HD2 ARG A 87 -2.880 -18.831 -3.964 1.00 10.34 H new ATOM 0 HD3 ARG A 87 -4.599 -18.601 -4.217 1.00 10.34 H new ATOM 0 HE ARG A 87 -3.348 -17.106 -6.243 1.00 41.25 H new ATOM 0 HH11 ARG A 87 -3.445 -20.527 -5.251 1.00 45.35 H new ATOM 0 HH12 ARG A 87 -3.167 -21.115 -6.893 1.00 45.35 H new ATOM 0 HH21 ARG A 87 -2.979 -17.891 -8.308 1.00 23.32 H new ATOM 0 HH22 ARG A 87 -2.905 -19.630 -8.613 1.00 23.32 H new ATOM 1423 N SER A 88 -4.267 -18.842 0.114 1.00 41.15 N ATOM 1424 CA SER A 88 -4.172 -19.368 1.497 1.00 54.11 C ATOM 1425 C SER A 88 -5.576 -19.777 2.025 1.00 52.22 C ATOM 1426 O SER A 88 -6.373 -20.344 1.256 1.00 75.32 O ATOM 1427 CB SER A 88 -3.442 -18.324 2.390 1.00 55.23 C ATOM 1428 OG SER A 88 -2.135 -18.058 1.903 1.00 33.24 O ATOM 0 H SER A 88 -3.576 -19.251 -0.516 1.00 41.15 H new ATOM 0 HA SER A 88 -3.576 -20.281 1.520 1.00 54.11 H new ATOM 0 HB2 SER A 88 -4.018 -17.399 2.418 1.00 55.23 H new ATOM 0 HB3 SER A 88 -3.383 -18.694 3.414 1.00 55.23 H new ATOM 0 HG SER A 88 -1.515 -17.976 2.658 1.00 33.24 H new ATOM 1434 N GLU A 89 -5.864 -19.535 3.316 1.00 0.23 N ATOM 1435 CA GLU A 89 -7.231 -19.606 3.846 1.00 14.10 C ATOM 1436 C GLU A 89 -7.269 -18.882 5.197 1.00 74.14 C ATOM 1437 O GLU A 89 -7.797 -17.767 5.310 1.00 71.30 O ATOM 1438 CB GLU A 89 -7.732 -21.078 3.982 1.00 0.20 C ATOM 1439 CG GLU A 89 -9.220 -21.192 4.361 1.00 22.32 C ATOM 1440 CD GLU A 89 -9.721 -22.640 4.428 1.00 32.22 C ATOM 1441 OE1 GLU A 89 -10.026 -23.223 3.366 1.00 55.43 O ATOM 1442 OE2 GLU A 89 -9.792 -23.209 5.539 1.00 72.03 O ATOM 0 H GLU A 89 -5.161 -19.287 4.013 1.00 0.23 H new ATOM 0 HA GLU A 89 -7.907 -19.118 3.144 1.00 14.10 H new ATOM 0 HB2 GLU A 89 -7.565 -21.598 3.039 1.00 0.20 H new ATOM 0 HB3 GLU A 89 -7.134 -21.588 4.737 1.00 0.20 H new ATOM 0 HG2 GLU A 89 -9.379 -20.715 5.328 1.00 22.32 H new ATOM 0 HG3 GLU A 89 -9.816 -20.642 3.633 1.00 22.32 H new ATOM 1449 N SER A 90 -6.654 -19.519 6.201 1.00 14.41 N ATOM 1450 CA SER A 90 -6.613 -19.013 7.574 1.00 54.45 C ATOM 1451 C SER A 90 -5.251 -18.330 7.819 1.00 75.03 C ATOM 1452 O SER A 90 -4.233 -19.022 7.934 1.00 1.20 O ATOM 1453 CB SER A 90 -6.856 -20.189 8.557 1.00 22.34 C ATOM 1454 OG SER A 90 -7.037 -19.726 9.887 1.00 13.51 O ATOM 0 H SER A 90 -6.168 -20.407 6.080 1.00 14.41 H new ATOM 0 HA SER A 90 -7.396 -18.272 7.737 1.00 54.45 H new ATOM 0 HB2 SER A 90 -7.736 -20.751 8.243 1.00 22.34 H new ATOM 0 HB3 SER A 90 -6.010 -20.875 8.521 1.00 22.34 H new ATOM 0 HG SER A 90 -7.190 -20.490 10.481 1.00 13.51 H new ATOM 1460 N LEU A 91 -5.262 -16.972 7.846 1.00 64.11 N ATOM 1461 CA LEU A 91 -4.062 -16.098 7.998 1.00 25.15 C ATOM 1462 C LEU A 91 -3.248 -16.004 6.684 1.00 74.43 C ATOM 1463 O LEU A 91 -3.642 -16.583 5.669 1.00 31.33 O ATOM 1464 CB LEU A 91 -3.165 -16.498 9.209 1.00 50.21 C ATOM 1465 CG LEU A 91 -3.845 -16.416 10.609 1.00 73.41 C ATOM 1466 CD1 LEU A 91 -2.880 -16.872 11.712 1.00 14.31 C ATOM 1467 CD2 LEU A 91 -4.406 -14.998 10.902 1.00 62.52 C ATOM 0 H LEU A 91 -6.127 -16.438 7.761 1.00 64.11 H new ATOM 0 HA LEU A 91 -4.441 -15.100 8.220 1.00 25.15 H new ATOM 0 HB2 LEU A 91 -2.813 -17.518 9.056 1.00 50.21 H new ATOM 0 HB3 LEU A 91 -2.285 -15.854 9.214 1.00 50.21 H new ATOM 0 HG LEU A 91 -4.696 -17.097 10.598 1.00 73.41 H new ATOM 0 HD11 LEU A 91 -3.377 -16.806 12.680 1.00 14.31 H new ATOM 0 HD12 LEU A 91 -2.579 -17.903 11.528 1.00 14.31 H new ATOM 0 HD13 LEU A 91 -1.998 -16.231 11.712 1.00 14.31 H new ATOM 0 HD21 LEU A 91 -4.871 -14.987 11.888 1.00 62.52 H new ATOM 0 HD22 LEU A 91 -3.593 -14.273 10.876 1.00 62.52 H new ATOM 0 HD23 LEU A 91 -5.149 -14.738 10.148 1.00 62.52 H new ATOM 1479 N GLU A 92 -2.113 -15.244 6.741 1.00 24.44 N ATOM 1480 CA GLU A 92 -1.277 -14.837 5.569 1.00 72.42 C ATOM 1481 C GLU A 92 -2.010 -13.797 4.709 1.00 52.44 C ATOM 1482 O GLU A 92 -1.502 -12.681 4.506 1.00 24.35 O ATOM 1483 CB GLU A 92 -0.741 -16.044 4.720 1.00 72.02 C ATOM 1484 CG GLU A 92 0.399 -16.865 5.378 1.00 43.01 C ATOM 1485 CD GLU A 92 0.004 -17.598 6.672 1.00 63.33 C ATOM 1486 OE1 GLU A 92 -0.455 -18.756 6.597 1.00 23.11 O ATOM 1487 OE2 GLU A 92 0.158 -17.023 7.770 1.00 64.44 O ATOM 0 H GLU A 92 -1.746 -14.889 7.624 1.00 24.44 H new ATOM 0 HA GLU A 92 -0.382 -14.368 5.978 1.00 72.42 H new ATOM 0 HB2 GLU A 92 -1.573 -16.715 4.508 1.00 72.02 H new ATOM 0 HB3 GLU A 92 -0.386 -15.664 3.762 1.00 72.02 H new ATOM 0 HG2 GLU A 92 0.761 -17.599 4.658 1.00 43.01 H new ATOM 0 HG3 GLU A 92 1.231 -16.195 5.596 1.00 43.01 H new ATOM 1494 N VAL A 93 -3.190 -14.164 4.200 1.00 64.12 N ATOM 1495 CA VAL A 93 -4.143 -13.202 3.609 1.00 25.32 C ATOM 1496 C VAL A 93 -4.428 -12.053 4.594 1.00 13.34 C ATOM 1497 O VAL A 93 -4.478 -10.896 4.194 1.00 2.14 O ATOM 1498 CB VAL A 93 -5.489 -13.906 3.254 1.00 75.30 C ATOM 1499 CG1 VAL A 93 -6.558 -12.918 2.667 1.00 11.41 C ATOM 1500 CG2 VAL A 93 -5.255 -15.067 2.261 1.00 34.23 C ATOM 0 H VAL A 93 -3.516 -15.130 4.183 1.00 64.12 H new ATOM 0 HA VAL A 93 -3.692 -12.803 2.700 1.00 25.32 H new ATOM 0 HB VAL A 93 -5.885 -14.298 4.191 1.00 75.30 H new ATOM 0 HG11 VAL A 93 -7.473 -13.465 2.439 1.00 11.41 H new ATOM 0 HG12 VAL A 93 -6.774 -12.139 3.398 1.00 11.41 H new ATOM 0 HG13 VAL A 93 -6.171 -12.463 1.755 1.00 11.41 H new ATOM 0 HG21 VAL A 93 -6.207 -15.544 2.028 1.00 34.23 H new ATOM 0 HG22 VAL A 93 -4.810 -14.678 1.345 1.00 34.23 H new ATOM 0 HG23 VAL A 93 -4.583 -15.799 2.709 1.00 34.23 H new ATOM 1510 N ALA A 94 -4.586 -12.422 5.885 1.00 20.41 N ATOM 1511 CA ALA A 94 -4.830 -11.479 6.993 1.00 2.02 C ATOM 1512 C ALA A 94 -3.849 -10.289 6.953 1.00 72.21 C ATOM 1513 O ALA A 94 -4.284 -9.132 6.896 1.00 60.42 O ATOM 1514 CB ALA A 94 -4.749 -12.207 8.348 1.00 4.52 C ATOM 0 H ALA A 94 -4.547 -13.395 6.187 1.00 20.41 H new ATOM 0 HA ALA A 94 -5.836 -11.078 6.872 1.00 2.02 H new ATOM 0 HB1 ALA A 94 -4.931 -11.497 9.154 1.00 4.52 H new ATOM 0 HB2 ALA A 94 -5.500 -12.996 8.383 1.00 4.52 H new ATOM 0 HB3 ALA A 94 -3.758 -12.644 8.467 1.00 4.52 H new ATOM 1520 N PHE A 95 -2.532 -10.614 6.924 1.00 21.02 N ATOM 1521 CA PHE A 95 -1.446 -9.620 6.813 1.00 72.20 C ATOM 1522 C PHE A 95 -1.686 -8.735 5.590 1.00 43.33 C ATOM 1523 O PHE A 95 -1.977 -7.555 5.736 1.00 12.24 O ATOM 1524 CB PHE A 95 -0.055 -10.326 6.715 1.00 25.31 C ATOM 1525 CG PHE A 95 1.156 -9.372 6.588 1.00 51.45 C ATOM 1526 CD1 PHE A 95 1.821 -8.891 7.721 1.00 21.53 C ATOM 1527 CD2 PHE A 95 1.624 -8.940 5.336 1.00 61.23 C ATOM 1528 CE1 PHE A 95 2.894 -8.020 7.606 1.00 22.21 C ATOM 1529 CE2 PHE A 95 2.698 -8.073 5.227 1.00 2.54 C ATOM 1530 CZ PHE A 95 3.332 -7.611 6.362 1.00 3.55 C ATOM 0 H PHE A 95 -2.198 -11.576 6.977 1.00 21.02 H new ATOM 0 HA PHE A 95 -1.443 -8.999 7.709 1.00 72.20 H new ATOM 0 HB2 PHE A 95 0.083 -10.948 7.600 1.00 25.31 H new ATOM 0 HB3 PHE A 95 -0.064 -10.994 5.854 1.00 25.31 H new ATOM 0 HD1 PHE A 95 1.493 -9.203 8.702 1.00 21.53 H new ATOM 0 HD2 PHE A 95 1.136 -9.292 4.439 1.00 61.23 H new ATOM 0 HE1 PHE A 95 3.390 -7.659 8.495 1.00 22.21 H new ATOM 0 HE2 PHE A 95 3.040 -7.758 4.252 1.00 2.54 H new ATOM 0 HZ PHE A 95 4.168 -6.932 6.278 1.00 3.55 H new ATOM 1540 N VAL A 96 -1.655 -9.365 4.405 1.00 31.35 N ATOM 1541 CA VAL A 96 -1.709 -8.673 3.112 1.00 61.33 C ATOM 1542 C VAL A 96 -2.890 -7.692 3.043 1.00 63.41 C ATOM 1543 O VAL A 96 -2.696 -6.524 2.732 1.00 43.14 O ATOM 1544 CB VAL A 96 -1.829 -9.700 1.928 1.00 32.12 C ATOM 1545 CG1 VAL A 96 -1.918 -8.982 0.575 1.00 54.21 C ATOM 1546 CG2 VAL A 96 -0.675 -10.710 1.931 1.00 10.52 C ATOM 0 H VAL A 96 -1.591 -10.379 4.319 1.00 31.35 H new ATOM 0 HA VAL A 96 -0.779 -8.113 3.016 1.00 61.33 H new ATOM 0 HB VAL A 96 -2.754 -10.256 2.080 1.00 32.12 H new ATOM 0 HG11 VAL A 96 -2.000 -9.719 -0.224 1.00 54.21 H new ATOM 0 HG12 VAL A 96 -2.795 -8.335 0.563 1.00 54.21 H new ATOM 0 HG13 VAL A 96 -1.022 -8.380 0.423 1.00 54.21 H new ATOM 0 HG21 VAL A 96 -0.795 -11.402 1.097 1.00 10.52 H new ATOM 0 HG22 VAL A 96 0.272 -10.180 1.830 1.00 10.52 H new ATOM 0 HG23 VAL A 96 -0.681 -11.267 2.868 1.00 10.52 H new ATOM 1556 N THR A 97 -4.083 -8.173 3.412 1.00 15.25 N ATOM 1557 CA THR A 97 -5.325 -7.430 3.227 1.00 21.23 C ATOM 1558 C THR A 97 -5.427 -6.278 4.223 1.00 74.21 C ATOM 1559 O THR A 97 -5.760 -5.151 3.828 1.00 3.15 O ATOM 1560 CB THR A 97 -6.576 -8.354 3.316 1.00 52.23 C ATOM 1561 OG1 THR A 97 -6.599 -9.052 4.575 1.00 72.52 O ATOM 1562 CG2 THR A 97 -6.586 -9.368 2.162 1.00 43.54 C ATOM 0 H THR A 97 -4.210 -9.087 3.846 1.00 15.25 H new ATOM 0 HA THR A 97 -5.303 -7.012 2.221 1.00 21.23 H new ATOM 0 HB THR A 97 -7.464 -7.726 3.241 1.00 52.23 H new ATOM 0 HG1 THR A 97 -5.920 -9.759 4.569 1.00 72.52 H new ATOM 0 HG21 THR A 97 -7.468 -10.003 2.243 1.00 43.54 H new ATOM 0 HG22 THR A 97 -6.608 -8.836 1.211 1.00 43.54 H new ATOM 0 HG23 THR A 97 -5.689 -9.985 2.212 1.00 43.54 H new ATOM 1570 N GLN A 98 -5.099 -6.546 5.509 1.00 73.21 N ATOM 1571 CA GLN A 98 -5.082 -5.490 6.541 1.00 41.04 C ATOM 1572 C GLN A 98 -4.098 -4.374 6.145 1.00 42.50 C ATOM 1573 O GLN A 98 -4.430 -3.204 6.248 1.00 32.03 O ATOM 1574 CB GLN A 98 -4.734 -6.061 7.945 1.00 15.25 C ATOM 1575 CG GLN A 98 -5.816 -6.980 8.576 1.00 62.32 C ATOM 1576 CD GLN A 98 -7.120 -6.268 8.991 1.00 21.20 C ATOM 1577 OE1 GLN A 98 -7.532 -5.264 8.408 1.00 40.05 O ATOM 1578 NE2 GLN A 98 -7.799 -6.798 9.999 1.00 71.12 N ATOM 0 H GLN A 98 -4.846 -7.473 5.851 1.00 73.21 H new ATOM 0 HA GLN A 98 -6.085 -5.069 6.604 1.00 41.04 H new ATOM 0 HB2 GLN A 98 -3.803 -6.623 7.870 1.00 15.25 H new ATOM 0 HB3 GLN A 98 -4.549 -5.227 8.622 1.00 15.25 H new ATOM 0 HG2 GLN A 98 -6.062 -7.768 7.864 1.00 62.32 H new ATOM 0 HG3 GLN A 98 -5.390 -7.466 9.454 1.00 62.32 H new ATOM 0 HE21 GLN A 98 -7.444 -7.630 10.471 1.00 71.12 H new ATOM 0 HE22 GLN A 98 -8.676 -6.374 10.302 1.00 71.12 H new ATOM 1587 N LEU A 99 -2.927 -4.782 5.613 1.00 63.43 N ATOM 1588 CA LEU A 99 -1.831 -3.875 5.187 1.00 51.21 C ATOM 1589 C LEU A 99 -2.193 -3.069 3.922 1.00 61.33 C ATOM 1590 O LEU A 99 -1.799 -1.901 3.793 1.00 13.15 O ATOM 1591 CB LEU A 99 -0.500 -4.675 5.014 1.00 13.44 C ATOM 1592 CG LEU A 99 0.357 -4.844 6.319 1.00 4.23 C ATOM 1593 CD1 LEU A 99 0.805 -3.471 6.833 1.00 11.24 C ATOM 1594 CD2 LEU A 99 -0.369 -5.634 7.442 1.00 52.31 C ATOM 0 H LEU A 99 -2.709 -5.767 5.463 1.00 63.43 H new ATOM 0 HA LEU A 99 -1.683 -3.138 5.977 1.00 51.21 H new ATOM 0 HB2 LEU A 99 -0.739 -5.665 4.625 1.00 13.44 H new ATOM 0 HB3 LEU A 99 0.110 -4.175 4.261 1.00 13.44 H new ATOM 0 HG LEU A 99 1.227 -5.441 6.045 1.00 4.23 H new ATOM 0 HD11 LEU A 99 1.399 -3.597 7.738 1.00 11.24 H new ATOM 0 HD12 LEU A 99 1.406 -2.976 6.071 1.00 11.24 H new ATOM 0 HD13 LEU A 99 -0.071 -2.862 7.056 1.00 11.24 H new ATOM 0 HD21 LEU A 99 0.283 -5.711 8.312 1.00 52.31 H new ATOM 0 HD22 LEU A 99 -1.285 -5.113 7.720 1.00 52.31 H new ATOM 0 HD23 LEU A 99 -0.615 -6.633 7.083 1.00 52.31 H new ATOM 1606 N VAL A 100 -2.960 -3.690 3.016 1.00 15.44 N ATOM 1607 CA VAL A 100 -3.550 -2.994 1.852 1.00 51.12 C ATOM 1608 C VAL A 100 -4.487 -1.882 2.357 1.00 42.23 C ATOM 1609 O VAL A 100 -4.411 -0.744 1.893 1.00 64.24 O ATOM 1610 CB VAL A 100 -4.316 -3.993 0.892 1.00 4.44 C ATOM 1611 CG1 VAL A 100 -5.278 -3.255 -0.084 1.00 71.21 C ATOM 1612 CG2 VAL A 100 -3.321 -4.888 0.091 1.00 1.43 C ATOM 0 H VAL A 100 -3.191 -4.682 3.063 1.00 15.44 H new ATOM 0 HA VAL A 100 -2.746 -2.554 1.262 1.00 51.12 H new ATOM 0 HB VAL A 100 -4.922 -4.632 1.534 1.00 4.44 H new ATOM 0 HG11 VAL A 100 -5.779 -3.984 -0.721 1.00 71.21 H new ATOM 0 HG12 VAL A 100 -6.022 -2.701 0.488 1.00 71.21 H new ATOM 0 HG13 VAL A 100 -4.707 -2.563 -0.704 1.00 71.21 H new ATOM 0 HG21 VAL A 100 -3.880 -5.562 -0.558 1.00 1.43 H new ATOM 0 HG22 VAL A 100 -2.671 -4.257 -0.515 1.00 1.43 H new ATOM 0 HG23 VAL A 100 -2.716 -5.471 0.785 1.00 1.43 H new ATOM 1622 N LYS A 101 -5.333 -2.217 3.357 1.00 54.31 N ATOM 1623 CA LYS A 101 -6.260 -1.240 3.963 1.00 3.11 C ATOM 1624 C LYS A 101 -5.536 -0.249 4.895 1.00 13.14 C ATOM 1625 O LYS A 101 -6.075 0.822 5.156 1.00 55.12 O ATOM 1626 CB LYS A 101 -7.460 -1.924 4.692 1.00 23.04 C ATOM 1627 CG LYS A 101 -8.729 -2.126 3.808 1.00 13.03 C ATOM 1628 CD LYS A 101 -8.633 -3.305 2.810 1.00 42.12 C ATOM 1629 CE LYS A 101 -8.792 -4.672 3.506 1.00 33.32 C ATOM 1630 NZ LYS A 101 -10.114 -4.842 4.170 1.00 74.42 N ATOM 0 H LYS A 101 -5.392 -3.153 3.759 1.00 54.31 H new ATOM 0 HA LYS A 101 -6.673 -0.667 3.133 1.00 3.11 H new ATOM 0 HB2 LYS A 101 -7.135 -2.895 5.065 1.00 23.04 H new ATOM 0 HB3 LYS A 101 -7.730 -1.323 5.560 1.00 23.04 H new ATOM 0 HG2 LYS A 101 -9.588 -2.286 4.459 1.00 13.03 H new ATOM 0 HG3 LYS A 101 -8.918 -1.209 3.250 1.00 13.03 H new ATOM 0 HD2 LYS A 101 -9.403 -3.196 2.047 1.00 42.12 H new ATOM 0 HD3 LYS A 101 -7.671 -3.269 2.299 1.00 42.12 H new ATOM 0 HE2 LYS A 101 -8.658 -5.465 2.770 1.00 33.32 H new ATOM 0 HE3 LYS A 101 -8.002 -4.789 4.248 1.00 33.32 H new ATOM 0 HZ1 LYS A 101 -10.278 -5.850 4.364 1.00 74.42 H new ATOM 0 HZ2 LYS A 101 -10.124 -4.311 5.064 1.00 74.42 H new ATOM 0 HZ3 LYS A 101 -10.865 -4.483 3.546 1.00 74.42 H new ATOM 1644 N LYS A 102 -4.327 -0.591 5.398 1.00 60.41 N ATOM 1645 CA LYS A 102 -3.507 0.380 6.163 1.00 53.21 C ATOM 1646 C LYS A 102 -3.050 1.477 5.206 1.00 21.34 C ATOM 1647 O LYS A 102 -3.412 2.643 5.382 1.00 61.14 O ATOM 1648 CB LYS A 102 -2.268 -0.259 6.867 1.00 33.15 C ATOM 1649 CG LYS A 102 -2.590 -1.362 7.891 1.00 2.34 C ATOM 1650 CD LYS A 102 -3.620 -0.927 8.960 1.00 43.25 C ATOM 1651 CE LYS A 102 -4.135 -2.114 9.791 1.00 35.13 C ATOM 1652 NZ LYS A 102 -5.165 -1.687 10.776 1.00 74.33 N ATOM 0 H LYS A 102 -3.903 -1.513 5.292 1.00 60.41 H new ATOM 0 HA LYS A 102 -4.131 0.778 6.963 1.00 53.21 H new ATOM 0 HB2 LYS A 102 -1.612 -0.676 6.103 1.00 33.15 H new ATOM 0 HB3 LYS A 102 -1.710 0.530 7.371 1.00 33.15 H new ATOM 0 HG2 LYS A 102 -2.972 -2.236 7.364 1.00 2.34 H new ATOM 0 HG3 LYS A 102 -1.669 -1.666 8.388 1.00 2.34 H new ATOM 0 HD2 LYS A 102 -3.163 -0.193 9.624 1.00 43.25 H new ATOM 0 HD3 LYS A 102 -4.462 -0.436 8.472 1.00 43.25 H new ATOM 0 HE2 LYS A 102 -4.557 -2.868 9.127 1.00 35.13 H new ATOM 0 HE3 LYS A 102 -3.301 -2.581 10.315 1.00 35.13 H new ATOM 0 HZ1 LYS A 102 -5.490 -2.513 11.319 1.00 74.33 H new ATOM 0 HZ2 LYS A 102 -4.755 -0.986 11.425 1.00 74.33 H new ATOM 0 HZ3 LYS A 102 -5.971 -1.264 10.274 1.00 74.33 H new ATOM 1666 N LEU A 103 -2.331 1.054 4.139 1.00 4.10 N ATOM 1667 CA LEU A 103 -1.787 1.968 3.115 1.00 42.42 C ATOM 1668 C LEU A 103 -2.926 2.751 2.433 1.00 2.31 C ATOM 1669 O LEU A 103 -2.748 3.909 2.083 1.00 5.54 O ATOM 1670 CB LEU A 103 -0.932 1.193 2.063 1.00 1.00 C ATOM 1671 CG LEU A 103 -0.086 2.068 1.069 1.00 1.31 C ATOM 1672 CD1 LEU A 103 0.859 3.048 1.817 1.00 63.01 C ATOM 1673 CD2 LEU A 103 0.703 1.179 0.066 1.00 72.55 C ATOM 0 H LEU A 103 -2.114 0.072 3.967 1.00 4.10 H new ATOM 0 HA LEU A 103 -1.129 2.681 3.611 1.00 42.42 H new ATOM 0 HB2 LEU A 103 -0.252 0.529 2.597 1.00 1.00 H new ATOM 0 HB3 LEU A 103 -1.600 0.561 1.478 1.00 1.00 H new ATOM 0 HG LEU A 103 -0.789 2.674 0.498 1.00 1.31 H new ATOM 0 HD11 LEU A 103 1.425 3.633 1.092 1.00 63.01 H new ATOM 0 HD12 LEU A 103 0.268 3.718 2.442 1.00 63.01 H new ATOM 0 HD13 LEU A 103 1.548 2.482 2.443 1.00 63.01 H new ATOM 0 HD21 LEU A 103 1.278 1.814 -0.608 1.00 72.55 H new ATOM 0 HD22 LEU A 103 1.380 0.525 0.615 1.00 72.55 H new ATOM 0 HD23 LEU A 103 0.004 0.575 -0.512 1.00 72.55 H new ATOM 1685 N LEU A 104 -4.106 2.101 2.308 1.00 30.50 N ATOM 1686 CA LEU A 104 -5.333 2.719 1.766 1.00 31.34 C ATOM 1687 C LEU A 104 -5.828 3.873 2.666 1.00 63.25 C ATOM 1688 O LEU A 104 -5.902 5.013 2.212 1.00 1.50 O ATOM 1689 CB LEU A 104 -6.453 1.651 1.594 1.00 42.32 C ATOM 1690 CG LEU A 104 -7.832 2.167 1.075 1.00 43.51 C ATOM 1691 CD1 LEU A 104 -7.674 2.957 -0.240 1.00 20.30 C ATOM 1692 CD2 LEU A 104 -8.846 1.000 0.932 1.00 22.10 C ATOM 0 H LEU A 104 -4.232 1.127 2.583 1.00 30.50 H new ATOM 0 HA LEU A 104 -5.090 3.135 0.788 1.00 31.34 H new ATOM 0 HB2 LEU A 104 -6.093 0.887 0.905 1.00 42.32 H new ATOM 0 HB3 LEU A 104 -6.611 1.164 2.556 1.00 42.32 H new ATOM 0 HG LEU A 104 -8.235 2.857 1.816 1.00 43.51 H new ATOM 0 HD11 LEU A 104 -8.651 3.303 -0.576 1.00 20.30 H new ATOM 0 HD12 LEU A 104 -7.023 3.815 -0.073 1.00 20.30 H new ATOM 0 HD13 LEU A 104 -7.236 2.312 -1.002 1.00 20.30 H new ATOM 0 HD21 LEU A 104 -9.798 1.388 0.569 1.00 22.10 H new ATOM 0 HD22 LEU A 104 -8.459 0.267 0.224 1.00 22.10 H new ATOM 0 HD23 LEU A 104 -8.994 0.525 1.902 1.00 22.10 H new ATOM 1704 N ILE A 105 -6.124 3.561 3.949 1.00 40.50 N ATOM 1705 CA ILE A 105 -6.652 4.544 4.941 1.00 45.32 C ATOM 1706 C ILE A 105 -5.646 5.708 5.149 1.00 61.13 C ATOM 1707 O ILE A 105 -6.029 6.833 5.501 1.00 30.00 O ATOM 1708 CB ILE A 105 -7.005 3.812 6.307 1.00 63.42 C ATOM 1709 CG1 ILE A 105 -8.215 2.832 6.105 1.00 35.04 C ATOM 1710 CG2 ILE A 105 -7.304 4.799 7.464 1.00 23.32 C ATOM 1711 CD1 ILE A 105 -8.533 1.932 7.299 1.00 0.42 C ATOM 0 H ILE A 105 -6.006 2.623 4.332 1.00 40.50 H new ATOM 0 HA ILE A 105 -7.572 4.980 4.553 1.00 45.32 H new ATOM 0 HB ILE A 105 -6.119 3.247 6.596 1.00 63.42 H new ATOM 0 HG12 ILE A 105 -9.102 3.420 5.868 1.00 35.04 H new ATOM 0 HG13 ILE A 105 -8.010 2.201 5.240 1.00 35.04 H new ATOM 0 HG21 ILE A 105 -7.538 4.238 8.369 1.00 23.32 H new ATOM 0 HG22 ILE A 105 -6.431 5.427 7.641 1.00 23.32 H new ATOM 0 HG23 ILE A 105 -8.154 5.427 7.196 1.00 23.32 H new ATOM 0 HD11 ILE A 105 -9.383 1.294 7.058 1.00 0.42 H new ATOM 0 HD12 ILE A 105 -7.667 1.311 7.527 1.00 0.42 H new ATOM 0 HD13 ILE A 105 -8.776 2.548 8.165 1.00 0.42 H new ATOM 1723 N ILE A 106 -4.357 5.423 4.906 1.00 44.02 N ATOM 1724 CA ILE A 106 -3.287 6.445 4.877 1.00 15.23 C ATOM 1725 C ILE A 106 -3.384 7.365 3.632 1.00 35.23 C ATOM 1726 O ILE A 106 -3.531 8.585 3.783 1.00 22.21 O ATOM 1727 CB ILE A 106 -1.869 5.762 4.966 1.00 35.40 C ATOM 1728 CG1 ILE A 106 -1.730 5.068 6.347 1.00 60.43 C ATOM 1729 CG2 ILE A 106 -0.708 6.768 4.738 1.00 70.45 C ATOM 1730 CD1 ILE A 106 -0.485 4.222 6.523 1.00 33.05 C ATOM 0 H ILE A 106 -4.022 4.477 4.723 1.00 44.02 H new ATOM 0 HA ILE A 106 -3.424 7.083 5.750 1.00 15.23 H new ATOM 0 HB ILE A 106 -1.796 5.024 4.167 1.00 35.40 H new ATOM 0 HG12 ILE A 106 -1.742 5.833 7.123 1.00 60.43 H new ATOM 0 HG13 ILE A 106 -2.604 4.437 6.508 1.00 60.43 H new ATOM 0 HG21 ILE A 106 0.246 6.245 4.810 1.00 70.45 H new ATOM 0 HG22 ILE A 106 -0.803 7.215 3.748 1.00 70.45 H new ATOM 0 HG23 ILE A 106 -0.751 7.551 5.495 1.00 70.45 H new ATOM 0 HD11 ILE A 106 -0.482 3.781 7.520 1.00 33.05 H new ATOM 0 HD12 ILE A 106 -0.476 3.429 5.776 1.00 33.05 H new ATOM 0 HD13 ILE A 106 0.400 4.847 6.400 1.00 33.05 H new ATOM 1742 N ILE A 107 -3.316 6.768 2.412 1.00 21.21 N ATOM 1743 CA ILE A 107 -3.214 7.534 1.127 1.00 5.10 C ATOM 1744 C ILE A 107 -4.552 8.168 0.708 1.00 13.31 C ATOM 1745 O ILE A 107 -4.592 8.996 -0.211 1.00 5.22 O ATOM 1746 CB ILE A 107 -2.573 6.674 -0.056 1.00 53.35 C ATOM 1747 CG1 ILE A 107 -3.459 5.443 -0.519 1.00 3.32 C ATOM 1748 CG2 ILE A 107 -1.141 6.210 0.344 1.00 63.32 C ATOM 1749 CD1 ILE A 107 -4.540 5.733 -1.566 1.00 65.23 C ATOM 0 H ILE A 107 -3.330 5.756 2.285 1.00 21.21 H new ATOM 0 HA ILE A 107 -2.524 8.354 1.328 1.00 5.10 H new ATOM 0 HB ILE A 107 -2.523 7.332 -0.923 1.00 53.35 H new ATOM 0 HG12 ILE A 107 -2.795 4.676 -0.918 1.00 3.32 H new ATOM 0 HG13 ILE A 107 -3.942 5.020 0.362 1.00 3.32 H new ATOM 0 HG21 ILE A 107 -0.709 5.624 -0.467 1.00 63.32 H new ATOM 0 HG22 ILE A 107 -0.516 7.082 0.534 1.00 63.32 H new ATOM 0 HG23 ILE A 107 -1.195 5.599 1.245 1.00 63.32 H new ATOM 0 HD11 ILE A 107 -5.076 4.813 -1.799 1.00 65.23 H new ATOM 0 HD12 ILE A 107 -5.239 6.471 -1.172 1.00 65.23 H new ATOM 0 HD13 ILE A 107 -4.074 6.121 -2.472 1.00 65.23 H new ATOM 1761 N SER A 108 -5.640 7.764 1.378 1.00 71.24 N ATOM 1762 CA SER A 108 -6.973 8.349 1.176 1.00 63.03 C ATOM 1763 C SER A 108 -7.200 9.524 2.153 1.00 74.41 C ATOM 1764 O SER A 108 -6.347 9.847 2.984 1.00 41.42 O ATOM 1765 CB SER A 108 -8.061 7.258 1.348 1.00 40.32 C ATOM 1766 OG SER A 108 -7.862 6.195 0.429 1.00 21.41 O ATOM 0 H SER A 108 -5.621 7.021 2.077 1.00 71.24 H new ATOM 0 HA SER A 108 -7.040 8.742 0.162 1.00 63.03 H new ATOM 0 HB2 SER A 108 -8.037 6.872 2.367 1.00 40.32 H new ATOM 0 HB3 SER A 108 -9.048 7.696 1.196 1.00 40.32 H new ATOM 0 HG SER A 108 -7.094 5.656 0.713 1.00 21.41 H new ATOM 1772 N ARG A 109 -8.378 10.143 2.035 1.00 23.41 N ATOM 1773 CA ARG A 109 -8.782 11.332 2.810 1.00 3.25 C ATOM 1774 C ARG A 109 -10.157 11.073 3.458 1.00 45.04 C ATOM 1775 O ARG A 109 -10.911 10.217 2.974 1.00 25.33 O ATOM 1776 CB ARG A 109 -8.844 12.593 1.873 1.00 60.51 C ATOM 1777 CG ARG A 109 -9.307 12.289 0.418 1.00 64.24 C ATOM 1778 CD ARG A 109 -10.072 13.445 -0.251 1.00 3.33 C ATOM 1779 NE ARG A 109 -11.437 13.567 0.302 1.00 2.41 N ATOM 1780 CZ ARG A 109 -12.478 14.155 -0.309 1.00 40.04 C ATOM 1781 NH1 ARG A 109 -12.350 14.714 -1.509 1.00 13.22 N ATOM 1782 NH2 ARG A 109 -13.654 14.160 0.291 1.00 3.25 N ATOM 0 H ARG A 109 -9.098 9.828 1.384 1.00 23.41 H new ATOM 0 HA ARG A 109 -8.048 11.524 3.593 1.00 3.25 H new ATOM 0 HB2 ARG A 109 -9.523 13.324 2.312 1.00 60.51 H new ATOM 0 HB3 ARG A 109 -7.857 13.054 1.839 1.00 60.51 H new ATOM 0 HG2 ARG A 109 -8.433 12.047 -0.187 1.00 64.24 H new ATOM 0 HG3 ARG A 109 -9.943 11.404 0.428 1.00 64.24 H new ATOM 0 HD2 ARG A 109 -9.530 14.379 -0.101 1.00 3.33 H new ATOM 0 HD3 ARG A 109 -10.125 13.276 -1.327 1.00 3.33 H new ATOM 0 HE ARG A 109 -11.602 13.171 1.227 1.00 2.41 H new ATOM 0 HH11 ARG A 109 -11.447 14.701 -1.984 1.00 13.22 H new ATOM 0 HH12 ARG A 109 -13.155 15.155 -1.955 1.00 13.22 H new ATOM 0 HH21 ARG A 109 -13.762 13.721 1.206 1.00 3.25 H new ATOM 0 HH22 ARG A 109 -14.455 14.603 -0.160 1.00 3.25 H new ATOM 1796 N PRO A 110 -10.493 11.772 4.587 1.00 52.30 N ATOM 1797 CA PRO A 110 -11.885 11.843 5.081 1.00 21.31 C ATOM 1798 C PRO A 110 -12.749 12.755 4.170 1.00 4.31 C ATOM 1799 O PRO A 110 -12.244 13.720 3.583 1.00 42.31 O ATOM 1800 CB PRO A 110 -11.727 12.436 6.511 1.00 5.02 C ATOM 1801 CG PRO A 110 -10.451 13.224 6.465 1.00 13.20 C ATOM 1802 CD PRO A 110 -9.545 12.488 5.497 1.00 43.22 C ATOM 0 HA PRO A 110 -12.394 10.879 5.083 1.00 21.31 H new ATOM 0 HB2 PRO A 110 -12.574 13.071 6.771 1.00 5.02 H new ATOM 0 HB3 PRO A 110 -11.677 11.648 7.262 1.00 5.02 H new ATOM 0 HG2 PRO A 110 -10.634 14.245 6.130 1.00 13.20 H new ATOM 0 HG3 PRO A 110 -9.996 13.290 7.453 1.00 13.20 H new ATOM 0 HD2 PRO A 110 -8.906 13.178 4.945 1.00 43.22 H new ATOM 0 HD3 PRO A 110 -8.888 11.791 6.017 1.00 43.22 H new ATOM 1810 N ALA A 111 -14.039 12.414 4.023 1.00 25.01 N ATOM 1811 CA ALA A 111 -15.039 13.261 3.337 1.00 72.04 C ATOM 1812 C ALA A 111 -15.981 13.866 4.391 1.00 64.42 C ATOM 1813 O ALA A 111 -17.146 14.186 4.116 1.00 3.41 O ATOM 1814 CB ALA A 111 -15.809 12.413 2.308 1.00 23.34 C ATOM 0 H ALA A 111 -14.424 11.538 4.377 1.00 25.01 H new ATOM 0 HA ALA A 111 -14.552 14.075 2.800 1.00 72.04 H new ATOM 0 HB1 ALA A 111 -16.546 13.036 1.802 1.00 23.34 H new ATOM 0 HB2 ALA A 111 -15.111 12.008 1.575 1.00 23.34 H new ATOM 0 HB3 ALA A 111 -16.315 11.593 2.818 1.00 23.34 H new ATOM 1820 N ARG A 112 -15.428 14.065 5.594 1.00 41.45 N ATOM 1821 CA ARG A 112 -16.183 14.418 6.791 1.00 43.04 C ATOM 1822 C ARG A 112 -15.291 15.316 7.678 1.00 2.24 C ATOM 1823 O ARG A 112 -15.501 16.549 7.688 1.00 63.11 O ATOM 1824 CB ARG A 112 -16.618 13.108 7.511 1.00 13.42 C ATOM 1825 CG ARG A 112 -17.450 13.298 8.796 1.00 12.22 C ATOM 1826 CD ARG A 112 -17.881 11.956 9.416 1.00 24.34 C ATOM 1827 NE ARG A 112 -16.728 11.070 9.683 1.00 12.22 N ATOM 1828 CZ ARG A 112 -16.754 9.977 10.460 1.00 75.52 C ATOM 1829 NH1 ARG A 112 -17.867 9.600 11.081 1.00 65.22 N ATOM 1830 NH2 ARG A 112 -15.654 9.251 10.588 1.00 23.22 N ATOM 1831 OXT ARG A 112 -14.340 14.788 8.299 1.00 37.88 O ATOM 0 H ARG A 112 -14.425 13.982 5.760 1.00 41.45 H new ATOM 0 HA ARG A 112 -17.088 14.976 6.552 1.00 43.04 H new ATOM 0 HB2 ARG A 112 -17.196 12.505 6.811 1.00 13.42 H new ATOM 0 HB3 ARG A 112 -15.723 12.537 7.760 1.00 13.42 H new ATOM 0 HG2 ARG A 112 -16.867 13.861 9.524 1.00 12.22 H new ATOM 0 HG3 ARG A 112 -18.335 13.892 8.569 1.00 12.22 H new ATOM 0 HD2 ARG A 112 -18.417 12.143 10.347 1.00 24.34 H new ATOM 0 HD3 ARG A 112 -18.576 11.453 8.743 1.00 24.34 H new ATOM 0 HE ARG A 112 -15.841 11.309 9.240 1.00 12.22 H new ATOM 0 HH11 ARG A 112 -18.722 10.145 10.971 1.00 65.22 H new ATOM 0 HH12 ARG A 112 -17.866 8.766 11.668 1.00 65.22 H new ATOM 0 HH21 ARG A 112 -14.802 9.526 10.099 1.00 23.22 H new ATOM 0 HH22 ARG A 112 -15.659 8.417 11.176 1.00 23.22 H new TER 1845 ARG A 112