USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 828 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 106 SER OG : rot -23:sc= 1.31 USER MOD Set 1.2: A 118 ASN : amide:sc= 1.19 K(o=2.5,f=1.2) USER MOD Set 2.1: A 89 HIS : no HD1:sc= -1.5 K(o=-0.25,f=-0.87) USER MOD Set 2.2: A 110 THR OG1 : rot 122:sc= 1.26 USER MOD Set 3.1: A 69 THR OG1 : rot 134:sc= 0.392 USER MOD Set 3.2: A 73 HIS : no HE2:sc= -0.531 K(o=-0.14,f=-3.6!) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0.36) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.404 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -37:sc= 1.28 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -2.37! C(o=-2.4!,f=-4.1!) USER MOD Single : A 65 GLN : amide:sc= 0.913 K(o=0.91,f=-0.037) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0909 USER MOD Single : A 76 SER OG : rot 86:sc= 1.22 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -160:sc= 0 USER MOD Single : A 95 ASN : amide:sc= 0.998 K(o=1,f=-7.3!) USER MOD Single : A 108 ASN : amide:sc= 0.282 K(o=0.28,f=-0.36) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 1.16 K(o=1.2,f=-0.14) USER MOD Single : A 120 GLN : amide:sc= 0.49 K(o=0.49,f=-8.7!) USER MOD Single : A 122 MET CE :methyl -151:sc= -0.578 (180deg=-4.04!) USER MOD Single : A 123 GLN : amide:sc= 0.372 X(o=0.37,f=0) USER MOD Single : A 124 THR OG1 : rot -152:sc= 0.0377 USER MOD Single : A 129 GLN : amide:sc= 0.491 K(o=0.49,f=-3.8!) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 57 N ASN A 5 48.626 31.863 48.446 1.00 54.42 N ATOM 58 CA ASN A 5 48.637 30.420 48.473 1.00 10.01 C ATOM 59 C ASN A 5 48.213 29.993 49.850 1.00 3.05 C ATOM 60 O ASN A 5 48.173 30.830 50.773 1.00 74.43 O ATOM 61 CB ASN A 5 50.018 29.810 48.123 1.00 74.12 C ATOM 62 CG ASN A 5 50.441 29.989 46.664 1.00 24.50 C ATOM 63 OD1 ASN A 5 50.129 30.984 46.016 1.00 63.22 O ATOM 64 ND2 ASN A 5 51.148 29.025 46.134 1.00 5.52 N ATOM 0 HA ASN A 5 47.952 30.053 47.708 1.00 10.01 H new ATOM 0 HB2 ASN A 5 50.774 30.263 48.765 1.00 74.12 H new ATOM 0 HB3 ASN A 5 49.999 28.745 48.354 1.00 74.12 H new ATOM 0 HD21 ASN A 5 51.452 29.090 45.163 1.00 5.52 H new ATOM 0 HD22 ASN A 5 51.395 28.208 46.692 1.00 5.52 H new ATOM 71 N GLY A 6 47.907 28.744 50.018 1.00 52.23 N ATOM 72 CA GLY A 6 47.457 28.288 51.290 1.00 73.53 C ATOM 73 C GLY A 6 48.154 27.032 51.704 1.00 40.11 C ATOM 74 O GLY A 6 49.166 26.636 51.102 1.00 20.02 O ATOM 0 H GLY A 6 47.961 28.028 49.293 1.00 52.23 H new ATOM 0 HA2 GLY A 6 47.629 29.063 52.037 1.00 73.53 H new ATOM 0 HA3 GLY A 6 46.382 28.113 51.255 1.00 73.53 H new ATOM 78 N THR A 7 47.625 26.396 52.695 1.00 31.22 N ATOM 79 CA THR A 7 48.187 25.194 53.192 1.00 10.13 C ATOM 80 C THR A 7 47.373 24.017 52.632 1.00 13.21 C ATOM 81 O THR A 7 46.156 24.157 52.407 1.00 62.31 O ATOM 82 CB THR A 7 48.219 25.193 54.765 1.00 13.20 C ATOM 83 OG1 THR A 7 48.949 24.059 55.262 1.00 14.43 O ATOM 84 CG2 THR A 7 46.817 25.193 55.368 1.00 52.24 C ATOM 0 H THR A 7 46.784 26.702 53.184 1.00 31.22 H new ATOM 0 HA THR A 7 49.223 25.100 52.867 1.00 10.13 H new ATOM 0 HB THR A 7 48.722 26.112 55.067 1.00 13.20 H new ATOM 0 HG1 THR A 7 48.958 24.079 56.242 1.00 14.43 H new ATOM 0 HG21 THR A 7 46.889 25.192 56.456 1.00 52.24 H new ATOM 0 HG22 THR A 7 46.280 26.083 55.040 1.00 52.24 H new ATOM 0 HG23 THR A 7 46.280 24.304 55.039 1.00 52.24 H new ATOM 92 N PRO A 8 48.024 22.888 52.308 1.00 64.23 N ATOM 93 CA PRO A 8 47.334 21.702 51.817 1.00 15.41 C ATOM 94 C PRO A 8 46.307 21.225 52.825 1.00 12.15 C ATOM 95 O PRO A 8 46.616 21.047 54.018 1.00 12.12 O ATOM 96 CB PRO A 8 48.448 20.677 51.670 1.00 11.43 C ATOM 97 CG PRO A 8 49.664 21.492 51.494 1.00 63.14 C ATOM 98 CD PRO A 8 49.476 22.680 52.366 1.00 50.51 C ATOM 0 HA PRO A 8 46.792 21.881 50.889 1.00 15.41 H new ATOM 0 HB2 PRO A 8 48.520 20.038 52.550 1.00 11.43 H new ATOM 0 HB3 PRO A 8 48.278 20.024 50.814 1.00 11.43 H new ATOM 0 HG2 PRO A 8 50.555 20.933 51.779 1.00 63.14 H new ATOM 0 HG3 PRO A 8 49.792 21.786 50.452 1.00 63.14 H new ATOM 0 HD2 PRO A 8 49.819 22.495 53.384 1.00 50.51 H new ATOM 0 HD3 PRO A 8 50.025 23.546 51.997 1.00 50.51 H new ATOM 106 N GLU A 9 45.110 21.041 52.367 1.00 21.01 N ATOM 107 CA GLU A 9 44.027 20.662 53.227 1.00 11.34 C ATOM 108 C GLU A 9 44.026 19.161 53.458 1.00 71.24 C ATOM 109 O GLU A 9 44.089 18.385 52.503 1.00 74.10 O ATOM 110 CB GLU A 9 42.704 21.129 52.636 1.00 24.35 C ATOM 111 CG GLU A 9 42.645 22.632 52.431 1.00 34.22 C ATOM 112 CD GLU A 9 41.323 23.088 51.916 1.00 11.32 C ATOM 113 OE1 GLU A 9 40.356 23.160 52.712 1.00 23.42 O ATOM 114 OE2 GLU A 9 41.213 23.403 50.720 1.00 34.22 O ATOM 0 H GLU A 9 44.852 21.149 51.386 1.00 21.01 H new ATOM 0 HA GLU A 9 44.159 21.145 54.195 1.00 11.34 H new ATOM 0 HB2 GLU A 9 42.543 20.631 51.680 1.00 24.35 H new ATOM 0 HB3 GLU A 9 41.890 20.825 53.295 1.00 24.35 H new ATOM 0 HG2 GLU A 9 42.855 23.133 53.376 1.00 34.22 H new ATOM 0 HG3 GLU A 9 43.426 22.931 51.732 1.00 34.22 H new ATOM 121 N PRO A 10 44.012 18.732 54.725 1.00 20.22 N ATOM 122 CA PRO A 10 43.986 17.317 55.067 1.00 25.21 C ATOM 123 C PRO A 10 42.590 16.733 54.897 1.00 41.12 C ATOM 124 O PRO A 10 41.582 17.439 55.043 1.00 24.22 O ATOM 125 CB PRO A 10 44.382 17.308 56.543 1.00 5.51 C ATOM 126 CG PRO A 10 43.906 18.619 57.070 1.00 13.24 C ATOM 127 CD PRO A 10 44.025 19.593 55.931 1.00 22.40 C ATOM 0 HA PRO A 10 44.641 16.720 54.433 1.00 25.21 H new ATOM 0 HB2 PRO A 10 43.918 16.476 57.073 1.00 5.51 H new ATOM 0 HB3 PRO A 10 45.460 17.201 56.663 1.00 5.51 H new ATOM 0 HG2 PRO A 10 42.875 18.549 57.417 1.00 13.24 H new ATOM 0 HG3 PRO A 10 44.507 18.939 57.921 1.00 13.24 H new ATOM 0 HD2 PRO A 10 43.198 20.303 55.924 1.00 22.40 H new ATOM 0 HD3 PRO A 10 44.944 20.175 55.997 1.00 22.40 H new ATOM 135 N GLN A 11 42.517 15.472 54.605 1.00 45.44 N ATOM 136 CA GLN A 11 41.252 14.816 54.429 1.00 53.21 C ATOM 137 C GLN A 11 41.058 13.693 55.447 1.00 24.15 C ATOM 138 O GLN A 11 41.755 12.658 55.424 1.00 53.22 O ATOM 139 CB GLN A 11 41.070 14.331 52.978 1.00 43.11 C ATOM 140 CG GLN A 11 42.189 13.443 52.452 1.00 10.02 C ATOM 141 CD GLN A 11 41.977 13.051 51.013 1.00 73.34 C ATOM 142 OE1 GLN A 11 41.357 12.028 50.717 1.00 44.44 O ATOM 143 NE2 GLN A 11 42.491 13.836 50.110 1.00 25.43 N ATOM 0 H GLN A 11 43.328 14.866 54.481 1.00 45.44 H new ATOM 0 HA GLN A 11 40.467 15.548 54.618 1.00 53.21 H new ATOM 0 HB2 GLN A 11 40.130 13.784 52.909 1.00 43.11 H new ATOM 0 HB3 GLN A 11 40.981 15.202 52.328 1.00 43.11 H new ATOM 0 HG2 GLN A 11 43.141 13.966 52.548 1.00 10.02 H new ATOM 0 HG3 GLN A 11 42.256 12.544 53.065 1.00 10.02 H new ATOM 0 HE21 GLN A 11 42.998 14.675 50.392 1.00 25.43 H new ATOM 0 HE22 GLN A 11 42.387 13.612 49.120 1.00 25.43 H new ATOM 152 N VAL A 12 40.152 13.909 56.358 1.00 30.35 N ATOM 153 CA VAL A 12 39.831 12.915 57.349 1.00 21.31 C ATOM 154 C VAL A 12 38.702 12.051 56.778 1.00 34.11 C ATOM 155 O VAL A 12 38.000 12.486 55.844 1.00 42.31 O ATOM 156 CB VAL A 12 39.407 13.579 58.704 1.00 64.52 C ATOM 157 CG1 VAL A 12 38.031 14.234 58.636 1.00 53.11 C ATOM 158 CG2 VAL A 12 39.502 12.601 59.861 1.00 52.34 C ATOM 0 H VAL A 12 39.616 14.773 56.437 1.00 30.35 H new ATOM 0 HA VAL A 12 40.705 12.302 57.568 1.00 21.31 H new ATOM 0 HB VAL A 12 40.122 14.381 58.888 1.00 64.52 H new ATOM 0 HG11 VAL A 12 37.791 14.677 59.603 1.00 53.11 H new ATOM 0 HG12 VAL A 12 38.035 15.011 57.872 1.00 53.11 H new ATOM 0 HG13 VAL A 12 37.282 13.483 58.385 1.00 53.11 H new ATOM 0 HG21 VAL A 12 39.200 13.098 60.783 1.00 52.34 H new ATOM 0 HG22 VAL A 12 38.845 11.752 59.674 1.00 52.34 H new ATOM 0 HG23 VAL A 12 40.529 12.250 59.957 1.00 52.34 H new ATOM 168 N GLU A 13 38.539 10.856 57.271 1.00 14.03 N ATOM 169 CA GLU A 13 37.509 10.006 56.762 1.00 52.14 C ATOM 170 C GLU A 13 36.230 10.151 57.552 1.00 2.21 C ATOM 171 O GLU A 13 36.239 10.180 58.786 1.00 61.14 O ATOM 172 CB GLU A 13 37.924 8.524 56.718 1.00 23.10 C ATOM 173 CG GLU A 13 38.357 7.909 58.049 1.00 21.34 C ATOM 174 CD GLU A 13 39.745 8.300 58.450 1.00 12.24 C ATOM 175 OE1 GLU A 13 40.709 7.656 57.982 1.00 14.40 O ATOM 176 OE2 GLU A 13 39.912 9.262 59.219 1.00 52.42 O ATOM 0 H GLU A 13 39.103 10.454 58.019 1.00 14.03 H new ATOM 0 HA GLU A 13 37.336 10.334 55.737 1.00 52.14 H new ATOM 0 HB2 GLU A 13 37.087 7.944 56.328 1.00 23.10 H new ATOM 0 HB3 GLU A 13 38.744 8.418 56.008 1.00 23.10 H new ATOM 0 HG2 GLU A 13 37.660 8.216 58.829 1.00 21.34 H new ATOM 0 HG3 GLU A 13 38.298 6.823 57.977 1.00 21.34 H new ATOM 183 N THR A 14 35.157 10.281 56.853 1.00 11.32 N ATOM 184 CA THR A 14 33.870 10.250 57.449 1.00 61.42 C ATOM 185 C THR A 14 33.290 8.893 57.060 1.00 24.32 C ATOM 186 O THR A 14 32.717 8.732 55.974 1.00 14.45 O ATOM 187 CB THR A 14 32.983 11.390 56.916 1.00 4.04 C ATOM 188 OG1 THR A 14 33.752 12.611 56.886 1.00 2.30 O ATOM 189 CG2 THR A 14 31.774 11.588 57.826 1.00 65.23 C ATOM 0 H THR A 14 35.149 10.413 55.842 1.00 11.32 H new ATOM 0 HA THR A 14 33.922 10.384 58.529 1.00 61.42 H new ATOM 0 HB THR A 14 32.639 11.134 55.914 1.00 4.04 H new ATOM 0 HG1 THR A 14 33.194 13.341 56.546 1.00 2.30 H new ATOM 0 HG21 THR A 14 31.155 12.397 57.438 1.00 65.23 H new ATOM 0 HG22 THR A 14 31.190 10.668 57.860 1.00 65.23 H new ATOM 0 HG23 THR A 14 32.112 11.840 58.831 1.00 65.23 H new ATOM 197 N THR A 15 33.506 7.920 57.907 1.00 72.41 N ATOM 198 CA THR A 15 33.234 6.572 57.583 1.00 65.41 C ATOM 199 C THR A 15 31.752 6.217 57.799 1.00 10.43 C ATOM 200 O THR A 15 30.922 7.072 58.167 1.00 44.03 O ATOM 201 CB THR A 15 34.210 5.622 58.370 1.00 64.54 C ATOM 202 OG1 THR A 15 34.096 4.257 57.914 1.00 14.21 O ATOM 203 CG2 THR A 15 33.962 5.692 59.877 1.00 72.02 C ATOM 0 H THR A 15 33.879 8.058 58.846 1.00 72.41 H new ATOM 0 HA THR A 15 33.417 6.426 56.519 1.00 65.41 H new ATOM 0 HB THR A 15 35.224 5.970 58.171 1.00 64.54 H new ATOM 0 HG1 THR A 15 34.715 3.690 58.420 1.00 14.21 H new ATOM 0 HG21 THR A 15 34.653 5.024 60.391 1.00 72.02 H new ATOM 0 HG22 THR A 15 34.119 6.713 60.224 1.00 72.02 H new ATOM 0 HG23 THR A 15 32.937 5.389 60.092 1.00 72.02 H new ATOM 211 N SER A 16 31.452 4.970 57.614 1.00 42.01 N ATOM 212 CA SER A 16 30.102 4.427 57.624 1.00 71.10 C ATOM 213 C SER A 16 29.602 4.169 59.063 1.00 32.22 C ATOM 214 O SER A 16 28.872 3.212 59.320 1.00 14.05 O ATOM 215 CB SER A 16 30.124 3.123 56.830 1.00 31.52 C ATOM 216 OG SER A 16 30.701 3.328 55.536 1.00 70.42 O ATOM 0 H SER A 16 32.163 4.259 57.443 1.00 42.01 H new ATOM 0 HA SER A 16 29.416 5.146 57.175 1.00 71.10 H new ATOM 0 HB2 SER A 16 30.695 2.370 57.373 1.00 31.52 H new ATOM 0 HB3 SER A 16 29.110 2.739 56.725 1.00 31.52 H new ATOM 0 HG SER A 16 30.708 2.481 55.043 1.00 70.42 H new ATOM 222 N VAL A 17 29.912 5.086 59.965 1.00 2.40 N ATOM 223 CA VAL A 17 29.557 4.964 61.382 1.00 71.23 C ATOM 224 C VAL A 17 28.082 5.332 61.603 1.00 21.55 C ATOM 225 O VAL A 17 27.542 5.259 62.696 1.00 33.13 O ATOM 226 CB VAL A 17 30.514 5.821 62.271 1.00 41.52 C ATOM 227 CG1 VAL A 17 30.377 7.306 61.972 1.00 72.43 C ATOM 228 CG2 VAL A 17 30.342 5.541 63.763 1.00 44.20 C ATOM 0 H VAL A 17 30.419 5.942 59.741 1.00 2.40 H new ATOM 0 HA VAL A 17 29.683 3.924 61.685 1.00 71.23 H new ATOM 0 HB VAL A 17 31.527 5.517 62.009 1.00 41.52 H new ATOM 0 HG11 VAL A 17 31.058 7.870 62.610 1.00 72.43 H new ATOM 0 HG12 VAL A 17 30.622 7.491 60.926 1.00 72.43 H new ATOM 0 HG13 VAL A 17 29.352 7.623 62.166 1.00 72.43 H new ATOM 0 HG21 VAL A 17 31.032 6.164 64.332 1.00 44.20 H new ATOM 0 HG22 VAL A 17 29.318 5.768 64.060 1.00 44.20 H new ATOM 0 HG23 VAL A 17 30.553 4.490 63.963 1.00 44.20 H new ATOM 616 N GLY A 45 6.155 -13.961 1.828 1.00 61.25 N ATOM 617 CA GLY A 45 6.103 -12.795 2.676 1.00 55.11 C ATOM 618 C GLY A 45 5.807 -11.583 1.849 1.00 25.21 C ATOM 619 O GLY A 45 6.388 -10.519 2.047 1.00 10.11 O ATOM 0 HA2 GLY A 45 5.336 -12.923 3.439 1.00 55.11 H new ATOM 0 HA3 GLY A 45 7.052 -12.669 3.196 1.00 55.11 H new ATOM 623 N SER A 46 4.935 -11.769 0.902 1.00 4.10 N ATOM 624 CA SER A 46 4.552 -10.756 -0.010 1.00 3.41 C ATOM 625 C SER A 46 3.218 -10.170 0.432 1.00 53.42 C ATOM 626 O SER A 46 2.436 -10.821 1.140 1.00 23.13 O ATOM 627 CB SER A 46 4.386 -11.384 -1.391 1.00 12.31 C ATOM 628 OG SER A 46 5.471 -12.256 -1.696 1.00 64.22 O ATOM 0 H SER A 46 4.462 -12.659 0.747 1.00 4.10 H new ATOM 0 HA SER A 46 5.308 -9.971 -0.041 1.00 3.41 H new ATOM 0 HB2 SER A 46 3.448 -11.939 -1.431 1.00 12.31 H new ATOM 0 HB3 SER A 46 4.324 -10.599 -2.145 1.00 12.31 H new ATOM 0 HG SER A 46 6.302 -11.883 -1.334 1.00 64.22 H new ATOM 634 N ALA A 47 2.962 -8.980 0.016 1.00 34.04 N ATOM 635 CA ALA A 47 1.726 -8.300 0.283 1.00 34.44 C ATOM 636 C ALA A 47 1.375 -7.563 -0.968 1.00 52.24 C ATOM 637 O ALA A 47 2.230 -7.420 -1.808 1.00 15.25 O ATOM 638 CB ALA A 47 1.900 -7.347 1.434 1.00 51.15 C ATOM 0 H ALA A 47 3.620 -8.430 -0.536 1.00 34.04 H new ATOM 0 HA ALA A 47 0.935 -8.997 0.559 1.00 34.44 H new ATOM 0 HB1 ALA A 47 0.957 -6.836 1.629 1.00 51.15 H new ATOM 0 HB2 ALA A 47 2.203 -7.901 2.322 1.00 51.15 H new ATOM 0 HB3 ALA A 47 2.666 -6.613 1.186 1.00 51.15 H new ATOM 644 N LEU A 48 0.166 -7.131 -1.150 1.00 44.22 N ATOM 645 CA LEU A 48 -0.126 -6.415 -2.364 1.00 25.24 C ATOM 646 C LEU A 48 -0.926 -5.169 -2.100 1.00 11.44 C ATOM 647 O LEU A 48 -1.791 -5.138 -1.212 1.00 22.21 O ATOM 648 CB LEU A 48 -0.737 -7.338 -3.455 1.00 53.40 C ATOM 649 CG LEU A 48 -2.119 -7.957 -3.206 1.00 61.55 C ATOM 650 CD1 LEU A 48 -3.237 -7.014 -3.633 1.00 40.42 C ATOM 651 CD2 LEU A 48 -2.237 -9.290 -3.916 1.00 64.14 C ATOM 0 H LEU A 48 -0.613 -7.252 -0.503 1.00 44.22 H new ATOM 0 HA LEU A 48 0.821 -6.070 -2.780 1.00 25.24 H new ATOM 0 HB2 LEU A 48 -0.794 -6.764 -4.380 1.00 53.40 H new ATOM 0 HB3 LEU A 48 -0.036 -8.154 -3.629 1.00 53.40 H new ATOM 0 HG LEU A 48 -2.224 -8.124 -2.134 1.00 61.55 H new ATOM 0 HD11 LEU A 48 -4.202 -7.484 -3.443 1.00 40.42 H new ATOM 0 HD12 LEU A 48 -3.167 -6.086 -3.065 1.00 40.42 H new ATOM 0 HD13 LEU A 48 -3.143 -6.796 -4.697 1.00 40.42 H new ATOM 0 HD21 LEU A 48 -3.223 -9.716 -3.729 1.00 64.14 H new ATOM 0 HD22 LEU A 48 -2.102 -9.145 -4.988 1.00 64.14 H new ATOM 0 HD23 LEU A 48 -1.471 -9.970 -3.543 1.00 64.14 H new ATOM 663 N LEU A 49 -0.621 -4.141 -2.839 1.00 32.44 N ATOM 664 CA LEU A 49 -1.310 -2.903 -2.697 1.00 15.44 C ATOM 665 C LEU A 49 -2.181 -2.656 -3.886 1.00 33.41 C ATOM 666 O LEU A 49 -1.825 -3.013 -5.010 1.00 40.35 O ATOM 667 CB LEU A 49 -0.339 -1.702 -2.413 1.00 23.02 C ATOM 668 CG LEU A 49 0.867 -1.427 -3.375 1.00 71.41 C ATOM 669 CD1 LEU A 49 0.438 -0.993 -4.773 1.00 21.23 C ATOM 670 CD2 LEU A 49 1.776 -0.364 -2.784 1.00 51.03 C ATOM 0 H LEU A 49 0.109 -4.143 -3.551 1.00 32.44 H new ATOM 0 HA LEU A 49 -1.949 -2.978 -1.817 1.00 15.44 H new ATOM 0 HB2 LEU A 49 -0.944 -0.796 -2.384 1.00 23.02 H new ATOM 0 HB3 LEU A 49 0.070 -1.845 -1.413 1.00 23.02 H new ATOM 0 HG LEU A 49 1.396 -2.374 -3.476 1.00 71.41 H new ATOM 0 HD11 LEU A 49 1.322 -0.819 -5.387 1.00 21.23 H new ATOM 0 HD12 LEU A 49 -0.171 -1.775 -5.226 1.00 21.23 H new ATOM 0 HD13 LEU A 49 -0.144 -0.074 -4.706 1.00 21.23 H new ATOM 0 HD21 LEU A 49 2.610 -0.181 -3.461 1.00 51.03 H new ATOM 0 HD22 LEU A 49 1.213 0.559 -2.644 1.00 51.03 H new ATOM 0 HD23 LEU A 49 2.158 -0.706 -1.822 1.00 51.03 H new ATOM 682 N VAL A 50 -3.335 -2.129 -3.634 1.00 74.12 N ATOM 683 CA VAL A 50 -4.233 -1.718 -4.676 1.00 22.20 C ATOM 684 C VAL A 50 -4.525 -0.263 -4.432 1.00 2.43 C ATOM 685 O VAL A 50 -5.129 0.078 -3.430 1.00 1.43 O ATOM 686 CB VAL A 50 -5.585 -2.499 -4.625 1.00 50.25 C ATOM 687 CG1 VAL A 50 -6.490 -2.114 -5.793 1.00 35.20 C ATOM 688 CG2 VAL A 50 -5.367 -4.004 -4.586 1.00 14.04 C ATOM 0 H VAL A 50 -3.689 -1.968 -2.691 1.00 74.12 H new ATOM 0 HA VAL A 50 -3.775 -1.909 -5.647 1.00 22.20 H new ATOM 0 HB VAL A 50 -6.084 -2.214 -3.699 1.00 50.25 H new ATOM 0 HG11 VAL A 50 -7.423 -2.674 -5.730 1.00 35.20 H new ATOM 0 HG12 VAL A 50 -6.704 -1.046 -5.751 1.00 35.20 H new ATOM 0 HG13 VAL A 50 -5.990 -2.347 -6.733 1.00 35.20 H new ATOM 0 HG21 VAL A 50 -6.332 -4.511 -4.551 1.00 14.04 H new ATOM 0 HG22 VAL A 50 -4.825 -4.316 -5.479 1.00 14.04 H new ATOM 0 HG23 VAL A 50 -4.788 -4.265 -3.700 1.00 14.04 H new ATOM 698 N VAL A 51 -4.099 0.592 -5.295 1.00 51.34 N ATOM 699 CA VAL A 51 -4.377 1.987 -5.087 1.00 72.41 C ATOM 700 C VAL A 51 -5.589 2.348 -5.869 1.00 11.15 C ATOM 701 O VAL A 51 -5.596 2.260 -7.095 1.00 43.14 O ATOM 702 CB VAL A 51 -3.175 2.907 -5.421 1.00 21.25 C ATOM 703 CG1 VAL A 51 -3.504 4.358 -5.076 1.00 61.03 C ATOM 704 CG2 VAL A 51 -1.960 2.455 -4.631 1.00 70.01 C ATOM 0 H VAL A 51 -3.568 0.367 -6.136 1.00 51.34 H new ATOM 0 HA VAL A 51 -4.561 2.148 -4.025 1.00 72.41 H new ATOM 0 HB VAL A 51 -2.964 2.842 -6.488 1.00 21.25 H new ATOM 0 HG11 VAL A 51 -2.650 4.992 -5.316 1.00 61.03 H new ATOM 0 HG12 VAL A 51 -4.370 4.682 -5.653 1.00 61.03 H new ATOM 0 HG13 VAL A 51 -3.727 4.437 -4.012 1.00 61.03 H new ATOM 0 HG21 VAL A 51 -1.113 3.101 -4.864 1.00 70.01 H new ATOM 0 HG22 VAL A 51 -2.177 2.513 -3.564 1.00 70.01 H new ATOM 0 HG23 VAL A 51 -1.716 1.426 -4.896 1.00 70.01 H new ATOM 714 N LYS A 52 -6.624 2.719 -5.142 1.00 34.43 N ATOM 715 CA LYS A 52 -7.899 3.033 -5.723 1.00 32.22 C ATOM 716 C LYS A 52 -7.791 4.317 -6.516 1.00 61.53 C ATOM 717 O LYS A 52 -8.362 4.433 -7.600 1.00 12.34 O ATOM 718 CB LYS A 52 -8.973 3.153 -4.620 1.00 41.42 C ATOM 719 CG LYS A 52 -10.408 3.316 -5.128 1.00 24.32 C ATOM 720 CD LYS A 52 -10.852 2.097 -5.932 1.00 1.42 C ATOM 721 CE LYS A 52 -12.272 2.247 -6.453 1.00 61.32 C ATOM 722 NZ LYS A 52 -12.677 1.091 -7.282 1.00 41.01 N ATOM 0 H LYS A 52 -6.596 2.809 -4.126 1.00 34.43 H new ATOM 0 HA LYS A 52 -8.198 2.231 -6.397 1.00 32.22 H new ATOM 0 HB2 LYS A 52 -8.926 2.265 -3.990 1.00 41.42 H new ATOM 0 HB3 LYS A 52 -8.729 4.006 -3.987 1.00 41.42 H new ATOM 0 HG2 LYS A 52 -11.081 3.462 -4.283 1.00 24.32 H new ATOM 0 HG3 LYS A 52 -10.477 4.209 -5.749 1.00 24.32 H new ATOM 0 HD2 LYS A 52 -10.172 1.948 -6.771 1.00 1.42 H new ATOM 0 HD3 LYS A 52 -10.787 1.207 -5.307 1.00 1.42 H new ATOM 0 HE2 LYS A 52 -12.959 2.350 -5.613 1.00 61.32 H new ATOM 0 HE3 LYS A 52 -12.349 3.161 -7.042 1.00 61.32 H new ATOM 0 HZ1 LYS A 52 -13.651 1.230 -7.619 1.00 41.01 H new ATOM 0 HZ2 LYS A 52 -12.037 1.007 -8.098 1.00 41.01 H new ATOM 0 HZ3 LYS A 52 -12.628 0.222 -6.713 1.00 41.01 H new ATOM 736 N ARG A 53 -7.027 5.264 -5.979 1.00 24.21 N ATOM 737 CA ARG A 53 -6.827 6.552 -6.622 1.00 33.23 C ATOM 738 C ARG A 53 -5.855 7.391 -5.805 1.00 20.20 C ATOM 739 O ARG A 53 -5.845 7.310 -4.564 1.00 70.24 O ATOM 740 CB ARG A 53 -8.174 7.285 -6.796 1.00 22.33 C ATOM 741 CG ARG A 53 -8.111 8.540 -7.638 1.00 42.21 C ATOM 742 CD ARG A 53 -9.506 9.026 -7.980 1.00 64.14 C ATOM 743 NE ARG A 53 -10.245 8.037 -8.789 1.00 33.14 N ATOM 744 CZ ARG A 53 -11.350 8.287 -9.507 1.00 43.45 C ATOM 745 NH1 ARG A 53 -11.887 9.508 -9.518 1.00 64.23 N ATOM 746 NH2 ARG A 53 -11.920 7.302 -10.198 1.00 13.44 N ATOM 0 H ARG A 53 -6.534 5.158 -5.092 1.00 24.21 H new ATOM 0 HA ARG A 53 -6.402 6.392 -7.613 1.00 33.23 H new ATOM 0 HB2 ARG A 53 -8.890 6.598 -7.247 1.00 22.33 H new ATOM 0 HB3 ARG A 53 -8.560 7.545 -5.810 1.00 22.33 H new ATOM 0 HG2 ARG A 53 -7.571 9.319 -7.099 1.00 42.21 H new ATOM 0 HG3 ARG A 53 -7.555 8.342 -8.554 1.00 42.21 H new ATOM 0 HD2 ARG A 53 -10.056 9.229 -7.061 1.00 64.14 H new ATOM 0 HD3 ARG A 53 -9.440 9.967 -8.526 1.00 64.14 H new ATOM 0 HE ARG A 53 -9.885 7.083 -8.803 1.00 33.14 H new ATOM 0 HH11 ARG A 53 -11.457 10.259 -8.978 1.00 64.23 H new ATOM 0 HH12 ARG A 53 -12.727 9.691 -10.066 1.00 64.23 H new ATOM 0 HH21 ARG A 53 -11.516 6.366 -10.179 1.00 13.44 H new ATOM 0 HH22 ARG A 53 -12.761 7.484 -10.747 1.00 13.44 H new ATOM 760 N GLY A 54 -5.008 8.134 -6.490 1.00 22.52 N ATOM 761 CA GLY A 54 -4.078 9.015 -5.842 1.00 11.03 C ATOM 762 C GLY A 54 -2.735 9.070 -6.557 1.00 30.20 C ATOM 763 O GLY A 54 -2.449 8.224 -7.398 1.00 22.14 O ATOM 0 H GLY A 54 -4.951 8.139 -7.508 1.00 22.52 H new ATOM 0 HA2 GLY A 54 -4.503 10.018 -5.796 1.00 11.03 H new ATOM 0 HA3 GLY A 54 -3.926 8.686 -4.814 1.00 11.03 H new ATOM 767 N PRO A 55 -1.880 10.060 -6.233 1.00 63.31 N ATOM 768 CA PRO A 55 -0.526 10.206 -6.827 1.00 13.02 C ATOM 769 C PRO A 55 0.439 9.075 -6.411 1.00 65.15 C ATOM 770 O PRO A 55 1.576 9.002 -6.880 1.00 23.23 O ATOM 771 CB PRO A 55 -0.041 11.554 -6.287 1.00 1.31 C ATOM 772 CG PRO A 55 -0.827 11.771 -5.044 1.00 13.31 C ATOM 773 CD PRO A 55 -2.176 11.168 -5.302 1.00 22.11 C ATOM 0 HA PRO A 55 -0.559 10.153 -7.915 1.00 13.02 H new ATOM 0 HB2 PRO A 55 1.029 11.535 -6.080 1.00 1.31 H new ATOM 0 HB3 PRO A 55 -0.212 12.354 -7.008 1.00 1.31 H new ATOM 0 HG2 PRO A 55 -0.344 11.298 -4.189 1.00 13.31 H new ATOM 0 HG3 PRO A 55 -0.911 12.833 -4.815 1.00 13.31 H new ATOM 0 HD2 PRO A 55 -2.638 10.808 -4.383 1.00 22.11 H new ATOM 0 HD3 PRO A 55 -2.862 11.891 -5.742 1.00 22.11 H new ATOM 781 N ASN A 56 -0.005 8.250 -5.473 1.00 34.21 N ATOM 782 CA ASN A 56 0.778 7.114 -4.996 1.00 25.31 C ATOM 783 C ASN A 56 0.966 6.100 -6.126 1.00 43.03 C ATOM 784 O ASN A 56 2.096 5.753 -6.469 1.00 52.24 O ATOM 785 CB ASN A 56 0.093 6.440 -3.785 1.00 50.50 C ATOM 786 CG ASN A 56 0.857 5.224 -3.245 1.00 54.24 C ATOM 787 OD1 ASN A 56 0.664 4.115 -3.691 1.00 1.40 O ATOM 788 ND2 ASN A 56 1.689 5.425 -2.255 1.00 33.14 N ATOM 0 H ASN A 56 -0.914 8.347 -5.021 1.00 34.21 H new ATOM 0 HA ASN A 56 1.753 7.479 -4.675 1.00 25.31 H new ATOM 0 HB2 ASN A 56 -0.017 7.173 -2.986 1.00 50.50 H new ATOM 0 HB3 ASN A 56 -0.911 6.129 -4.073 1.00 50.50 H new ATOM 0 HD21 ASN A 56 2.191 4.638 -1.843 1.00 33.14 H new ATOM 0 HD22 ASN A 56 1.836 6.368 -1.896 1.00 33.14 H new ATOM 795 N ALA A 57 -0.150 5.674 -6.722 1.00 21.13 N ATOM 796 CA ALA A 57 -0.171 4.708 -7.809 1.00 54.54 C ATOM 797 C ALA A 57 -1.593 4.609 -8.352 1.00 33.32 C ATOM 798 O ALA A 57 -2.480 5.342 -7.909 1.00 70.35 O ATOM 799 CB ALA A 57 0.325 3.327 -7.348 1.00 11.34 C ATOM 0 H ALA A 57 -1.078 6.000 -6.454 1.00 21.13 H new ATOM 0 HA ALA A 57 0.505 5.047 -8.594 1.00 54.54 H new ATOM 0 HB1 ALA A 57 0.295 2.631 -8.187 1.00 11.34 H new ATOM 0 HB2 ALA A 57 1.348 3.411 -6.982 1.00 11.34 H new ATOM 0 HB3 ALA A 57 -0.317 2.958 -6.548 1.00 11.34 H new ATOM 805 N GLY A 58 -1.804 3.729 -9.292 1.00 71.21 N ATOM 806 CA GLY A 58 -3.112 3.544 -9.872 1.00 74.45 C ATOM 807 C GLY A 58 -3.209 2.193 -10.503 1.00 21.23 C ATOM 808 O GLY A 58 -3.654 2.050 -11.645 1.00 71.12 O ATOM 0 H GLY A 58 -1.081 3.122 -9.678 1.00 71.21 H new ATOM 0 HA2 GLY A 58 -3.877 3.650 -9.103 1.00 74.45 H new ATOM 0 HA3 GLY A 58 -3.300 4.316 -10.618 1.00 74.45 H new ATOM 812 N ALA A 59 -2.755 1.211 -9.770 1.00 72.03 N ATOM 813 CA ALA A 59 -2.712 -0.163 -10.205 1.00 2.42 C ATOM 814 C ALA A 59 -2.545 -1.017 -8.969 1.00 53.13 C ATOM 815 O ALA A 59 -2.587 -0.484 -7.848 1.00 34.30 O ATOM 816 CB ALA A 59 -1.533 -0.376 -11.157 1.00 41.13 C ATOM 0 H ALA A 59 -2.394 1.348 -8.826 1.00 72.03 H new ATOM 0 HA ALA A 59 -3.625 -0.430 -10.738 1.00 2.42 H new ATOM 0 HB1 ALA A 59 -1.509 -1.417 -11.480 1.00 41.13 H new ATOM 0 HB2 ALA A 59 -1.646 0.271 -12.027 1.00 41.13 H new ATOM 0 HB3 ALA A 59 -0.602 -0.134 -10.644 1.00 41.13 H new ATOM 822 N ARG A 60 -2.357 -2.305 -9.142 1.00 24.25 N ATOM 823 CA ARG A 60 -2.140 -3.185 -8.017 1.00 0.11 C ATOM 824 C ARG A 60 -1.013 -4.134 -8.303 1.00 20.20 C ATOM 825 O ARG A 60 -0.950 -4.729 -9.381 1.00 50.13 O ATOM 826 CB ARG A 60 -3.412 -3.947 -7.550 1.00 50.31 C ATOM 827 CG ARG A 60 -4.063 -4.930 -8.524 1.00 4.45 C ATOM 828 CD ARG A 60 -4.709 -4.233 -9.693 1.00 71.50 C ATOM 829 NE ARG A 60 -5.435 -5.160 -10.550 1.00 34.32 N ATOM 830 CZ ARG A 60 -5.759 -4.934 -11.815 1.00 34.31 C ATOM 831 NH1 ARG A 60 -5.222 -3.914 -12.470 1.00 22.33 N ATOM 832 NH2 ARG A 60 -6.584 -5.760 -12.441 1.00 72.24 N ATOM 0 H ARG A 60 -2.350 -2.767 -10.051 1.00 24.25 H new ATOM 0 HA ARG A 60 -1.868 -2.542 -7.180 1.00 0.11 H new ATOM 0 HB2 ARG A 60 -3.157 -4.496 -6.643 1.00 50.31 H new ATOM 0 HB3 ARG A 60 -4.162 -3.206 -7.274 1.00 50.31 H new ATOM 0 HG2 ARG A 60 -3.310 -5.627 -8.891 1.00 4.45 H new ATOM 0 HG3 ARG A 60 -4.813 -5.519 -7.996 1.00 4.45 H new ATOM 0 HD2 ARG A 60 -5.393 -3.468 -9.326 1.00 71.50 H new ATOM 0 HD3 ARG A 60 -3.944 -3.722 -10.278 1.00 71.50 H new ATOM 0 HE ARG A 60 -5.716 -6.053 -10.145 1.00 34.32 H new ATOM 0 HH11 ARG A 60 -4.557 -3.300 -12.000 1.00 22.33 H new ATOM 0 HH12 ARG A 60 -5.474 -3.744 -13.444 1.00 22.33 H new ATOM 0 HH21 ARG A 60 -6.968 -6.567 -11.949 1.00 72.24 H new ATOM 0 HH22 ARG A 60 -6.835 -5.589 -13.415 1.00 72.24 H new ATOM 846 N PHE A 61 -0.121 -4.253 -7.372 1.00 45.43 N ATOM 847 CA PHE A 61 1.042 -5.101 -7.513 1.00 75.21 C ATOM 848 C PHE A 61 1.576 -5.493 -6.156 1.00 14.44 C ATOM 849 O PHE A 61 1.308 -4.804 -5.149 1.00 13.11 O ATOM 850 CB PHE A 61 2.130 -4.467 -8.412 1.00 71.20 C ATOM 851 CG PHE A 61 2.544 -3.071 -8.038 1.00 24.41 C ATOM 852 CD1 PHE A 61 3.575 -2.855 -7.151 1.00 74.33 C ATOM 853 CD2 PHE A 61 1.894 -1.972 -8.589 1.00 13.41 C ATOM 854 CE1 PHE A 61 3.953 -1.581 -6.815 1.00 21.01 C ATOM 855 CE2 PHE A 61 2.268 -0.691 -8.259 1.00 62.45 C ATOM 856 CZ PHE A 61 3.300 -0.493 -7.370 1.00 24.21 C ATOM 0 H PHE A 61 -0.171 -3.763 -6.479 1.00 45.43 H new ATOM 0 HA PHE A 61 0.730 -6.011 -8.026 1.00 75.21 H new ATOM 0 HB2 PHE A 61 3.012 -5.107 -8.392 1.00 71.20 H new ATOM 0 HB3 PHE A 61 1.767 -4.457 -9.440 1.00 71.20 H new ATOM 0 HD1 PHE A 61 4.091 -3.698 -6.716 1.00 74.33 H new ATOM 0 HD2 PHE A 61 1.084 -2.127 -9.286 1.00 13.41 H new ATOM 0 HE1 PHE A 61 4.762 -1.425 -6.116 1.00 21.01 H new ATOM 0 HE2 PHE A 61 1.756 0.154 -8.694 1.00 62.45 H new ATOM 0 HZ PHE A 61 3.600 0.510 -7.105 1.00 24.21 H new ATOM 866 N LEU A 62 2.258 -6.603 -6.110 1.00 60.01 N ATOM 867 CA LEU A 62 2.791 -7.121 -4.883 1.00 45.14 C ATOM 868 C LEU A 62 4.077 -6.423 -4.448 1.00 45.04 C ATOM 869 O LEU A 62 4.941 -6.082 -5.256 1.00 1.21 O ATOM 870 CB LEU A 62 3.028 -8.651 -4.928 1.00 14.10 C ATOM 871 CG LEU A 62 4.213 -9.182 -5.774 1.00 64.34 C ATOM 872 CD1 LEU A 62 4.466 -10.635 -5.441 1.00 32.20 C ATOM 873 CD2 LEU A 62 3.956 -9.038 -7.269 1.00 60.50 C ATOM 0 H LEU A 62 2.461 -7.177 -6.929 1.00 60.01 H new ATOM 0 HA LEU A 62 2.020 -6.911 -4.142 1.00 45.14 H new ATOM 0 HB2 LEU A 62 3.168 -8.997 -3.904 1.00 14.10 H new ATOM 0 HB3 LEU A 62 2.117 -9.119 -5.300 1.00 14.10 H new ATOM 0 HG LEU A 62 5.089 -8.583 -5.528 1.00 64.34 H new ATOM 0 HD11 LEU A 62 5.300 -11.005 -6.038 1.00 32.20 H new ATOM 0 HD12 LEU A 62 4.707 -10.729 -4.382 1.00 32.20 H new ATOM 0 HD13 LEU A 62 3.573 -11.220 -5.663 1.00 32.20 H new ATOM 0 HD21 LEU A 62 4.812 -9.422 -7.824 1.00 60.50 H new ATOM 0 HD22 LEU A 62 3.064 -9.602 -7.541 1.00 60.50 H new ATOM 0 HD23 LEU A 62 3.808 -7.986 -7.513 1.00 60.50 H new ATOM 885 N LEU A 63 4.159 -6.199 -3.184 1.00 24.15 N ATOM 886 CA LEU A 63 5.324 -5.710 -2.525 1.00 10.42 C ATOM 887 C LEU A 63 5.966 -6.930 -1.919 1.00 11.25 C ATOM 888 O LEU A 63 5.255 -7.763 -1.318 1.00 15.30 O ATOM 889 CB LEU A 63 4.921 -4.775 -1.390 1.00 41.23 C ATOM 890 CG LEU A 63 4.054 -3.575 -1.754 1.00 23.03 C ATOM 891 CD1 LEU A 63 3.659 -2.823 -0.495 1.00 22.20 C ATOM 892 CD2 LEU A 63 4.783 -2.653 -2.724 1.00 40.42 C ATOM 0 H LEU A 63 3.378 -6.359 -2.548 1.00 24.15 H new ATOM 0 HA LEU A 63 5.979 -5.170 -3.209 1.00 10.42 H new ATOM 0 HB2 LEU A 63 4.389 -5.362 -0.641 1.00 41.23 H new ATOM 0 HB3 LEU A 63 5.831 -4.404 -0.918 1.00 41.23 H new ATOM 0 HG LEU A 63 3.151 -3.934 -2.249 1.00 23.03 H new ATOM 0 HD11 LEU A 63 3.040 -1.967 -0.762 1.00 22.20 H new ATOM 0 HD12 LEU A 63 3.098 -3.486 0.164 1.00 22.20 H new ATOM 0 HD13 LEU A 63 4.556 -2.476 0.018 1.00 22.20 H new ATOM 0 HD21 LEU A 63 4.144 -1.804 -2.969 1.00 40.42 H new ATOM 0 HD22 LEU A 63 5.703 -2.294 -2.263 1.00 40.42 H new ATOM 0 HD23 LEU A 63 5.024 -3.201 -3.635 1.00 40.42 H new ATOM 904 N ASP A 64 7.243 -7.084 -2.078 1.00 15.13 N ATOM 905 CA ASP A 64 7.899 -8.247 -1.544 1.00 0.21 C ATOM 906 C ASP A 64 9.309 -7.934 -1.109 1.00 72.43 C ATOM 907 O ASP A 64 10.269 -8.144 -1.843 1.00 64.43 O ATOM 908 CB ASP A 64 7.863 -9.425 -2.530 1.00 1.15 C ATOM 909 CG ASP A 64 8.487 -10.688 -1.977 1.00 64.05 C ATOM 910 OD1 ASP A 64 7.865 -11.344 -1.127 1.00 60.42 O ATOM 911 OD2 ASP A 64 9.602 -11.055 -2.404 1.00 15.14 O ATOM 0 H ASP A 64 7.852 -6.428 -2.568 1.00 15.13 H new ATOM 0 HA ASP A 64 7.342 -8.552 -0.658 1.00 0.21 H new ATOM 0 HB2 ASP A 64 6.828 -9.629 -2.804 1.00 1.15 H new ATOM 0 HB3 ASP A 64 8.384 -9.141 -3.444 1.00 1.15 H new ATOM 916 N GLN A 65 9.399 -7.327 0.044 1.00 12.22 N ATOM 917 CA GLN A 65 10.642 -7.021 0.724 1.00 63.21 C ATOM 918 C GLN A 65 10.361 -7.093 2.208 1.00 23.23 C ATOM 919 O GLN A 65 9.225 -6.819 2.611 1.00 41.02 O ATOM 920 CB GLN A 65 11.206 -5.616 0.368 1.00 62.24 C ATOM 921 CG GLN A 65 11.831 -5.495 -1.016 1.00 30.33 C ATOM 922 CD GLN A 65 12.566 -4.180 -1.211 1.00 2.23 C ATOM 923 OE1 GLN A 65 13.760 -4.076 -0.891 1.00 54.05 O ATOM 924 NE2 GLN A 65 11.915 -3.200 -1.777 1.00 23.51 N ATOM 0 H GLN A 65 8.577 -7.017 0.562 1.00 12.22 H new ATOM 0 HA GLN A 65 11.400 -7.738 0.409 1.00 63.21 H new ATOM 0 HB2 GLN A 65 10.399 -4.888 0.449 1.00 62.24 H new ATOM 0 HB3 GLN A 65 11.955 -5.345 1.112 1.00 62.24 H new ATOM 0 HG2 GLN A 65 12.525 -6.321 -1.171 1.00 30.33 H new ATOM 0 HG3 GLN A 65 11.051 -5.587 -1.772 1.00 30.33 H new ATOM 0 HE21 GLN A 65 10.933 -3.318 -2.028 1.00 23.51 H new ATOM 0 HE22 GLN A 65 12.388 -2.317 -1.968 1.00 23.51 H new ATOM 933 N PRO A 66 11.364 -7.467 3.056 1.00 50.53 N ATOM 934 CA PRO A 66 11.174 -7.570 4.518 1.00 54.34 C ATOM 935 C PRO A 66 10.728 -6.243 5.083 1.00 73.43 C ATOM 936 O PRO A 66 9.864 -6.159 5.952 1.00 3.23 O ATOM 937 CB PRO A 66 12.573 -7.915 5.032 1.00 71.43 C ATOM 938 CG PRO A 66 13.229 -8.562 3.874 1.00 11.42 C ATOM 939 CD PRO A 66 12.742 -7.820 2.672 1.00 41.13 C ATOM 0 HA PRO A 66 10.417 -8.302 4.800 1.00 54.34 H new ATOM 0 HB2 PRO A 66 13.113 -7.023 5.350 1.00 71.43 H new ATOM 0 HB3 PRO A 66 12.529 -8.584 5.891 1.00 71.43 H new ATOM 0 HG2 PRO A 66 14.314 -8.506 3.956 1.00 11.42 H new ATOM 0 HG3 PRO A 66 12.968 -9.619 3.815 1.00 11.42 H new ATOM 0 HD2 PRO A 66 13.346 -6.936 2.468 1.00 41.13 H new ATOM 0 HD3 PRO A 66 12.768 -8.438 1.775 1.00 41.13 H new ATOM 947 N THR A 67 11.324 -5.219 4.577 1.00 33.00 N ATOM 948 CA THR A 67 10.969 -3.894 4.919 1.00 41.40 C ATOM 949 C THR A 67 10.736 -3.114 3.633 1.00 74.32 C ATOM 950 O THR A 67 11.674 -2.728 2.944 1.00 63.43 O ATOM 951 CB THR A 67 12.059 -3.237 5.782 1.00 31.15 C ATOM 952 OG1 THR A 67 12.322 -4.097 6.913 1.00 63.11 O ATOM 953 CG2 THR A 67 11.600 -1.875 6.294 1.00 22.54 C ATOM 0 H THR A 67 12.086 -5.285 3.902 1.00 33.00 H new ATOM 0 HA THR A 67 10.056 -3.897 5.514 1.00 41.40 H new ATOM 0 HB THR A 67 12.956 -3.096 5.178 1.00 31.15 H new ATOM 0 HG1 THR A 67 13.017 -3.695 7.475 1.00 63.11 H new ATOM 0 HG21 THR A 67 12.388 -1.430 6.902 1.00 22.54 H new ATOM 0 HG22 THR A 67 11.382 -1.223 5.448 1.00 22.54 H new ATOM 0 HG23 THR A 67 10.701 -1.998 6.898 1.00 22.54 H new ATOM 961 N THR A 68 9.496 -2.964 3.290 1.00 13.01 N ATOM 962 CA THR A 68 9.114 -2.255 2.117 1.00 42.21 C ATOM 963 C THR A 68 8.802 -0.829 2.538 1.00 74.54 C ATOM 964 O THR A 68 7.872 -0.587 3.281 1.00 45.42 O ATOM 965 CB THR A 68 7.864 -2.914 1.498 1.00 61.31 C ATOM 966 OG1 THR A 68 8.135 -4.310 1.248 1.00 44.24 O ATOM 967 CG2 THR A 68 7.488 -2.238 0.195 1.00 24.52 C ATOM 0 H THR A 68 8.712 -3.337 3.826 1.00 13.01 H new ATOM 0 HA THR A 68 9.909 -2.269 1.372 1.00 42.21 H new ATOM 0 HB THR A 68 7.034 -2.810 2.197 1.00 61.31 H new ATOM 0 HG1 THR A 68 7.342 -4.732 0.856 1.00 44.24 H new ATOM 0 HG21 THR A 68 6.604 -2.720 -0.223 1.00 24.52 H new ATOM 0 HG22 THR A 68 7.275 -1.185 0.380 1.00 24.52 H new ATOM 0 HG23 THR A 68 8.315 -2.322 -0.510 1.00 24.52 H new ATOM 975 N THR A 69 9.577 0.094 2.099 1.00 70.52 N ATOM 976 CA THR A 69 9.415 1.429 2.547 1.00 31.22 C ATOM 977 C THR A 69 8.853 2.304 1.438 1.00 20.33 C ATOM 978 O THR A 69 9.232 2.168 0.262 1.00 3.33 O ATOM 979 CB THR A 69 10.747 1.976 3.156 1.00 33.33 C ATOM 980 OG1 THR A 69 10.622 3.334 3.585 1.00 31.03 O ATOM 981 CG2 THR A 69 11.916 1.826 2.193 1.00 50.43 C ATOM 0 H THR A 69 10.332 -0.050 1.428 1.00 70.52 H new ATOM 0 HA THR A 69 8.682 1.449 3.353 1.00 31.22 H new ATOM 0 HB THR A 69 10.955 1.366 4.035 1.00 33.33 H new ATOM 0 HG1 THR A 69 11.012 3.432 4.479 1.00 31.03 H new ATOM 0 HG21 THR A 69 12.821 2.218 2.656 1.00 50.43 H new ATOM 0 HG22 THR A 69 12.058 0.772 1.954 1.00 50.43 H new ATOM 0 HG23 THR A 69 11.707 2.380 1.278 1.00 50.43 H new ATOM 989 N ALA A 70 7.891 3.124 1.792 1.00 41.13 N ATOM 990 CA ALA A 70 7.270 4.018 0.862 1.00 50.22 C ATOM 991 C ALA A 70 7.473 5.425 1.330 1.00 33.13 C ATOM 992 O ALA A 70 7.255 5.737 2.516 1.00 41.14 O ATOM 993 CB ALA A 70 5.785 3.719 0.739 1.00 51.14 C ATOM 0 H ALA A 70 7.520 3.185 2.740 1.00 41.13 H new ATOM 0 HA ALA A 70 7.724 3.885 -0.120 1.00 50.22 H new ATOM 0 HB1 ALA A 70 5.332 4.410 0.027 1.00 51.14 H new ATOM 0 HB2 ALA A 70 5.648 2.696 0.389 1.00 51.14 H new ATOM 0 HB3 ALA A 70 5.308 3.837 1.712 1.00 51.14 H new ATOM 999 N GLY A 71 7.898 6.261 0.443 1.00 72.34 N ATOM 1000 CA GLY A 71 8.106 7.617 0.774 1.00 4.44 C ATOM 1001 C GLY A 71 8.624 8.381 -0.393 1.00 64.15 C ATOM 1002 O GLY A 71 8.015 8.378 -1.471 1.00 44.14 O ATOM 0 H GLY A 71 8.108 6.018 -0.525 1.00 72.34 H new ATOM 0 HA2 GLY A 71 7.170 8.059 1.115 1.00 4.44 H new ATOM 0 HA3 GLY A 71 8.812 7.688 1.601 1.00 4.44 H new ATOM 1006 N ARG A 72 9.755 8.991 -0.209 1.00 2.42 N ATOM 1007 CA ARG A 72 10.324 9.828 -1.220 1.00 32.13 C ATOM 1008 C ARG A 72 11.857 9.743 -1.159 1.00 32.32 C ATOM 1009 O ARG A 72 12.559 10.561 -1.741 1.00 13.23 O ATOM 1010 CB ARG A 72 9.842 11.268 -0.967 1.00 44.22 C ATOM 1011 CG ARG A 72 9.926 12.210 -2.148 1.00 14.41 C ATOM 1012 CD ARG A 72 9.064 11.709 -3.290 1.00 63.32 C ATOM 1013 NE ARG A 72 8.848 12.733 -4.298 1.00 3.51 N ATOM 1014 CZ ARG A 72 8.219 12.547 -5.450 1.00 0.01 C ATOM 1015 NH1 ARG A 72 7.884 11.322 -5.842 1.00 74.33 N ATOM 1016 NH2 ARG A 72 7.942 13.578 -6.217 1.00 22.35 N ATOM 0 H ARG A 72 10.309 8.923 0.645 1.00 2.42 H new ATOM 0 HA ARG A 72 10.011 9.506 -2.213 1.00 32.13 H new ATOM 0 HB2 ARG A 72 8.806 11.230 -0.630 1.00 44.22 H new ATOM 0 HB3 ARG A 72 10.428 11.688 -0.149 1.00 44.22 H new ATOM 0 HG2 ARG A 72 9.601 13.207 -1.849 1.00 14.41 H new ATOM 0 HG3 ARG A 72 10.961 12.298 -2.478 1.00 14.41 H new ATOM 0 HD2 ARG A 72 9.539 10.842 -3.750 1.00 63.32 H new ATOM 0 HD3 ARG A 72 8.102 11.376 -2.899 1.00 63.32 H new ATOM 0 HE ARG A 72 9.208 13.667 -4.104 1.00 3.51 H new ATOM 0 HH11 ARG A 72 8.111 10.519 -5.255 1.00 74.33 H new ATOM 0 HH12 ARG A 72 7.400 11.185 -6.729 1.00 74.33 H new ATOM 0 HH21 ARG A 72 8.211 14.518 -5.925 1.00 22.35 H new ATOM 0 HH22 ARG A 72 7.458 13.438 -7.104 1.00 22.35 H new ATOM 1030 N HIS A 73 12.375 8.751 -0.462 1.00 61.43 N ATOM 1031 CA HIS A 73 13.822 8.602 -0.359 1.00 51.21 C ATOM 1032 C HIS A 73 14.272 7.551 -1.386 1.00 12.31 C ATOM 1033 O HIS A 73 13.463 6.713 -1.768 1.00 64.34 O ATOM 1034 CB HIS A 73 14.262 8.250 1.101 1.00 11.42 C ATOM 1035 CG HIS A 73 14.020 6.842 1.567 1.00 53.51 C ATOM 1036 ND1 HIS A 73 12.841 6.394 2.099 1.00 21.42 N ATOM 1037 CD2 HIS A 73 14.866 5.789 1.594 1.00 2.44 C ATOM 1038 CE1 HIS A 73 12.996 5.115 2.428 1.00 54.23 C ATOM 1039 NE2 HIS A 73 14.217 4.696 2.138 1.00 32.10 N ATOM 0 H HIS A 73 11.831 8.045 0.035 1.00 61.43 H new ATOM 0 HA HIS A 73 14.313 9.548 -0.587 1.00 51.21 H new ATOM 0 HB2 HIS A 73 15.328 8.458 1.193 1.00 11.42 H new ATOM 0 HB3 HIS A 73 13.745 8.926 1.783 1.00 11.42 H new ATOM 0 HD1 HIS A 73 11.992 6.945 2.222 1.00 21.42 H new ATOM 0 HD2 HIS A 73 15.888 5.799 1.246 1.00 2.44 H new ATOM 0 HE1 HIS A 73 12.228 4.500 2.873 1.00 54.23 H new ATOM 1047 N PRO A 74 15.548 7.569 -1.831 1.00 62.33 N ATOM 1048 CA PRO A 74 16.066 6.676 -2.902 1.00 43.42 C ATOM 1049 C PRO A 74 15.738 5.176 -2.742 1.00 11.22 C ATOM 1050 O PRO A 74 15.573 4.472 -3.731 1.00 5.21 O ATOM 1051 CB PRO A 74 17.594 6.897 -2.862 1.00 42.53 C ATOM 1052 CG PRO A 74 17.848 7.686 -1.618 1.00 31.14 C ATOM 1053 CD PRO A 74 16.606 8.484 -1.375 1.00 30.24 C ATOM 0 HA PRO A 74 15.588 6.930 -3.848 1.00 43.42 H new ATOM 0 HB2 PRO A 74 18.128 5.947 -2.841 1.00 42.53 H new ATOM 0 HB3 PRO A 74 17.936 7.435 -3.746 1.00 42.53 H new ATOM 0 HG2 PRO A 74 18.060 7.028 -0.775 1.00 31.14 H new ATOM 0 HG3 PRO A 74 18.713 8.338 -1.739 1.00 31.14 H new ATOM 0 HD2 PRO A 74 16.491 8.746 -0.323 1.00 30.24 H new ATOM 0 HD3 PRO A 74 16.606 9.417 -1.938 1.00 30.24 H new ATOM 1061 N GLU A 75 15.620 4.697 -1.516 1.00 23.10 N ATOM 1062 CA GLU A 75 15.366 3.277 -1.289 1.00 44.41 C ATOM 1063 C GLU A 75 13.883 2.943 -1.155 1.00 1.30 C ATOM 1064 O GLU A 75 13.539 1.834 -0.751 1.00 21.02 O ATOM 1065 CB GLU A 75 16.124 2.767 -0.078 1.00 30.55 C ATOM 1066 CG GLU A 75 17.622 2.828 -0.226 1.00 44.41 C ATOM 1067 CD GLU A 75 18.320 2.268 0.970 1.00 4.21 C ATOM 1068 OE1 GLU A 75 18.511 3.011 1.951 1.00 71.12 O ATOM 1069 OE2 GLU A 75 18.709 1.088 0.947 1.00 71.44 O ATOM 0 H GLU A 75 15.694 5.259 -0.668 1.00 23.10 H new ATOM 0 HA GLU A 75 15.730 2.767 -2.181 1.00 44.41 H new ATOM 0 HB2 GLU A 75 15.831 3.351 0.794 1.00 30.55 H new ATOM 0 HB3 GLU A 75 15.829 1.735 0.115 1.00 30.55 H new ATOM 0 HG2 GLU A 75 17.922 2.274 -1.115 1.00 44.41 H new ATOM 0 HG3 GLU A 75 17.931 3.863 -0.376 1.00 44.41 H new ATOM 1076 N SER A 76 13.011 3.868 -1.505 1.00 61.55 N ATOM 1077 CA SER A 76 11.583 3.590 -1.469 1.00 73.24 C ATOM 1078 C SER A 76 11.267 2.520 -2.515 1.00 55.44 C ATOM 1079 O SER A 76 11.804 2.566 -3.624 1.00 41.04 O ATOM 1080 CB SER A 76 10.774 4.862 -1.760 1.00 30.03 C ATOM 1081 OG SER A 76 11.129 5.911 -0.866 1.00 54.04 O ATOM 0 H SER A 76 13.258 4.808 -1.814 1.00 61.55 H new ATOM 0 HA SER A 76 11.309 3.236 -0.475 1.00 73.24 H new ATOM 0 HB2 SER A 76 10.949 5.181 -2.787 1.00 30.03 H new ATOM 0 HB3 SER A 76 9.709 4.648 -1.670 1.00 30.03 H new ATOM 0 HG SER A 76 11.905 6.394 -1.220 1.00 54.04 H new ATOM 1087 N ASP A 77 10.455 1.540 -2.150 1.00 53.14 N ATOM 1088 CA ASP A 77 10.072 0.473 -3.088 1.00 13.15 C ATOM 1089 C ASP A 77 9.199 1.083 -4.140 1.00 51.10 C ATOM 1090 O ASP A 77 9.386 0.882 -5.344 1.00 74.04 O ATOM 1091 CB ASP A 77 9.298 -0.645 -2.374 1.00 72.14 C ATOM 1092 CG ASP A 77 8.934 -1.815 -3.292 1.00 41.43 C ATOM 1093 OD1 ASP A 77 7.915 -1.756 -4.004 1.00 51.13 O ATOM 1094 OD2 ASP A 77 9.674 -2.821 -3.304 1.00 11.22 O ATOM 0 H ASP A 77 10.046 1.453 -1.220 1.00 53.14 H new ATOM 0 HA ASP A 77 10.970 0.033 -3.522 1.00 13.15 H new ATOM 0 HB2 ASP A 77 9.897 -1.018 -1.543 1.00 72.14 H new ATOM 0 HB3 ASP A 77 8.385 -0.230 -1.948 1.00 72.14 H new ATOM 1099 N ILE A 78 8.269 1.865 -3.660 1.00 44.43 N ATOM 1100 CA ILE A 78 7.368 2.598 -4.491 1.00 1.15 C ATOM 1101 C ILE A 78 7.426 4.059 -4.119 1.00 22.20 C ATOM 1102 O ILE A 78 7.467 4.415 -2.926 1.00 63.01 O ATOM 1103 CB ILE A 78 5.872 2.091 -4.461 1.00 53.04 C ATOM 1104 CG1 ILE A 78 5.181 2.181 -3.059 1.00 64.52 C ATOM 1105 CG2 ILE A 78 5.765 0.692 -5.018 1.00 31.32 C ATOM 1106 CD1 ILE A 78 5.715 1.240 -1.986 1.00 21.02 C ATOM 0 H ILE A 78 8.118 2.009 -2.662 1.00 44.43 H new ATOM 0 HA ILE A 78 7.704 2.436 -5.515 1.00 1.15 H new ATOM 0 HB ILE A 78 5.324 2.782 -5.101 1.00 53.04 H new ATOM 0 HG12 ILE A 78 5.275 3.204 -2.695 1.00 64.52 H new ATOM 0 HG13 ILE A 78 4.117 1.985 -3.188 1.00 64.52 H new ATOM 0 HG21 ILE A 78 4.725 0.366 -4.986 1.00 31.32 H new ATOM 0 HG22 ILE A 78 6.117 0.683 -6.050 1.00 31.32 H new ATOM 0 HG23 ILE A 78 6.376 0.015 -4.421 1.00 31.32 H new ATOM 0 HD11 ILE A 78 5.161 1.392 -1.060 1.00 21.02 H new ATOM 0 HD12 ILE A 78 5.595 0.208 -2.315 1.00 21.02 H new ATOM 0 HD13 ILE A 78 6.772 1.446 -1.815 1.00 21.02 H new ATOM 1118 N PHE A 79 7.481 4.888 -5.105 1.00 42.44 N ATOM 1119 CA PHE A 79 7.516 6.298 -4.901 1.00 54.11 C ATOM 1120 C PHE A 79 6.167 6.879 -5.208 1.00 72.53 C ATOM 1121 O PHE A 79 5.673 6.781 -6.333 1.00 45.30 O ATOM 1122 CB PHE A 79 8.565 6.973 -5.794 1.00 30.53 C ATOM 1123 CG PHE A 79 10.000 6.634 -5.493 1.00 40.44 C ATOM 1124 CD1 PHE A 79 10.567 5.451 -5.945 1.00 42.24 C ATOM 1125 CD2 PHE A 79 10.788 7.516 -4.776 1.00 73.13 C ATOM 1126 CE1 PHE A 79 11.891 5.155 -5.683 1.00 11.25 C ATOM 1127 CE2 PHE A 79 12.110 7.229 -4.515 1.00 64.14 C ATOM 1128 CZ PHE A 79 12.663 6.046 -4.969 1.00 75.34 C ATOM 0 H PHE A 79 7.503 4.605 -6.085 1.00 42.44 H new ATOM 0 HA PHE A 79 7.784 6.480 -3.860 1.00 54.11 H new ATOM 0 HB2 PHE A 79 8.358 6.705 -6.830 1.00 30.53 H new ATOM 0 HB3 PHE A 79 8.442 8.053 -5.713 1.00 30.53 H new ATOM 0 HD1 PHE A 79 9.966 4.753 -6.509 1.00 42.24 H new ATOM 0 HD2 PHE A 79 10.362 8.441 -4.416 1.00 73.13 H new ATOM 0 HE1 PHE A 79 12.319 4.229 -6.036 1.00 11.25 H new ATOM 0 HE2 PHE A 79 12.714 7.928 -3.956 1.00 64.14 H new ATOM 0 HZ PHE A 79 13.699 5.820 -4.764 1.00 75.34 H new ATOM 1138 N LEU A 80 5.565 7.450 -4.222 1.00 44.14 N ATOM 1139 CA LEU A 80 4.340 8.138 -4.412 1.00 21.43 C ATOM 1140 C LEU A 80 4.669 9.546 -4.807 1.00 1.22 C ATOM 1141 O LEU A 80 5.349 10.262 -4.061 1.00 51.42 O ATOM 1142 CB LEU A 80 3.410 8.095 -3.165 1.00 13.44 C ATOM 1143 CG LEU A 80 3.952 8.524 -1.784 1.00 75.34 C ATOM 1144 CD1 LEU A 80 2.785 8.906 -0.893 1.00 31.42 C ATOM 1145 CD2 LEU A 80 4.712 7.386 -1.097 1.00 0.42 C ATOM 0 H LEU A 80 5.910 7.452 -3.262 1.00 44.14 H new ATOM 0 HA LEU A 80 3.772 7.639 -5.197 1.00 21.43 H new ATOM 0 HB2 LEU A 80 2.545 8.722 -3.383 1.00 13.44 H new ATOM 0 HB3 LEU A 80 3.046 7.072 -3.067 1.00 13.44 H new ATOM 0 HG LEU A 80 4.632 9.362 -1.938 1.00 75.34 H new ATOM 0 HD11 LEU A 80 3.158 9.210 0.085 1.00 31.42 H new ATOM 0 HD12 LEU A 80 2.237 9.732 -1.346 1.00 31.42 H new ATOM 0 HD13 LEU A 80 2.120 8.050 -0.777 1.00 31.42 H new ATOM 0 HD21 LEU A 80 5.078 7.726 -0.128 1.00 0.42 H new ATOM 0 HD22 LEU A 80 4.044 6.536 -0.955 1.00 0.42 H new ATOM 0 HD23 LEU A 80 5.555 7.085 -1.718 1.00 0.42 H new ATOM 1157 N ASP A 81 4.231 9.957 -5.971 1.00 42.10 N ATOM 1158 CA ASP A 81 4.583 11.274 -6.451 1.00 24.35 C ATOM 1159 C ASP A 81 3.648 12.336 -5.921 1.00 34.44 C ATOM 1160 O ASP A 81 2.890 12.970 -6.652 1.00 35.11 O ATOM 1161 CB ASP A 81 4.734 11.342 -7.980 1.00 32.13 C ATOM 1162 CG ASP A 81 5.197 12.706 -8.475 1.00 3.41 C ATOM 1163 OD1 ASP A 81 6.386 13.041 -8.301 1.00 61.03 O ATOM 1164 OD2 ASP A 81 4.393 13.456 -9.052 1.00 34.44 O ATOM 0 H ASP A 81 3.639 9.410 -6.597 1.00 42.10 H new ATOM 0 HA ASP A 81 5.573 11.487 -6.048 1.00 24.35 H new ATOM 0 HB2 ASP A 81 5.447 10.584 -8.303 1.00 32.13 H new ATOM 0 HB3 ASP A 81 3.778 11.099 -8.445 1.00 32.13 H new ATOM 1169 N ASP A 82 3.628 12.445 -4.630 1.00 0.13 N ATOM 1170 CA ASP A 82 2.927 13.521 -3.993 1.00 3.02 C ATOM 1171 C ASP A 82 3.956 14.641 -3.782 1.00 3.01 C ATOM 1172 O ASP A 82 5.100 14.516 -4.241 1.00 63.14 O ATOM 1173 CB ASP A 82 2.289 13.076 -2.667 1.00 35.43 C ATOM 1174 CG ASP A 82 1.315 14.110 -2.133 1.00 25.13 C ATOM 1175 OD1 ASP A 82 0.168 14.156 -2.608 1.00 70.23 O ATOM 1176 OD2 ASP A 82 1.698 14.919 -1.273 1.00 12.20 O ATOM 0 H ASP A 82 4.091 11.799 -3.991 1.00 0.13 H new ATOM 0 HA ASP A 82 2.099 13.867 -4.611 1.00 3.02 H new ATOM 0 HB2 ASP A 82 1.769 12.129 -2.814 1.00 35.43 H new ATOM 0 HB3 ASP A 82 3.071 12.899 -1.929 1.00 35.43 H new ATOM 1181 N VAL A 83 3.601 15.701 -3.138 1.00 4.44 N ATOM 1182 CA VAL A 83 4.529 16.782 -2.937 1.00 44.05 C ATOM 1183 C VAL A 83 4.607 17.137 -1.442 1.00 53.55 C ATOM 1184 O VAL A 83 5.453 17.918 -1.002 1.00 14.45 O ATOM 1185 CB VAL A 83 4.144 18.011 -3.813 1.00 72.14 C ATOM 1186 CG1 VAL A 83 2.820 18.618 -3.392 1.00 55.41 C ATOM 1187 CG2 VAL A 83 5.253 19.052 -3.866 1.00 73.30 C ATOM 0 H VAL A 83 2.675 15.850 -2.738 1.00 4.44 H new ATOM 0 HA VAL A 83 5.522 16.465 -3.255 1.00 44.05 H new ATOM 0 HB VAL A 83 4.015 17.638 -4.829 1.00 72.14 H new ATOM 0 HG11 VAL A 83 2.592 19.472 -4.030 1.00 55.41 H new ATOM 0 HG12 VAL A 83 2.031 17.872 -3.488 1.00 55.41 H new ATOM 0 HG13 VAL A 83 2.884 18.947 -2.355 1.00 55.41 H new ATOM 0 HG21 VAL A 83 4.937 19.889 -4.489 1.00 73.30 H new ATOM 0 HG22 VAL A 83 5.465 19.409 -2.858 1.00 73.30 H new ATOM 0 HG23 VAL A 83 6.152 18.604 -4.289 1.00 73.30 H new ATOM 1197 N THR A 84 3.752 16.529 -0.666 1.00 2.13 N ATOM 1198 CA THR A 84 3.718 16.753 0.756 1.00 51.21 C ATOM 1199 C THR A 84 4.099 15.429 1.465 1.00 13.34 C ATOM 1200 O THR A 84 3.898 15.244 2.666 1.00 53.14 O ATOM 1201 CB THR A 84 2.291 17.217 1.152 1.00 64.12 C ATOM 1202 OG1 THR A 84 1.850 18.195 0.184 1.00 22.33 O ATOM 1203 CG2 THR A 84 2.290 17.880 2.527 1.00 24.32 C ATOM 0 H THR A 84 3.057 15.862 -1.001 1.00 2.13 H new ATOM 0 HA THR A 84 4.425 17.527 1.055 1.00 51.21 H new ATOM 0 HB THR A 84 1.634 16.348 1.178 1.00 64.12 H new ATOM 0 HG1 THR A 84 0.948 18.500 0.415 1.00 22.33 H new ATOM 0 HG21 THR A 84 1.277 18.195 2.778 1.00 24.32 H new ATOM 0 HG22 THR A 84 2.645 17.170 3.274 1.00 24.32 H new ATOM 0 HG23 THR A 84 2.947 18.749 2.512 1.00 24.32 H new ATOM 1211 N VAL A 85 4.667 14.526 0.691 1.00 1.34 N ATOM 1212 CA VAL A 85 5.087 13.228 1.182 1.00 20.30 C ATOM 1213 C VAL A 85 6.482 13.310 1.813 1.00 60.22 C ATOM 1214 O VAL A 85 7.378 14.010 1.298 1.00 2.31 O ATOM 1215 CB VAL A 85 5.059 12.144 0.046 1.00 53.45 C ATOM 1216 CG1 VAL A 85 5.922 12.547 -1.148 1.00 62.01 C ATOM 1217 CG2 VAL A 85 5.490 10.783 0.576 1.00 70.44 C ATOM 0 H VAL A 85 4.851 14.672 -0.301 1.00 1.34 H new ATOM 0 HA VAL A 85 4.376 12.923 1.950 1.00 20.30 H new ATOM 0 HB VAL A 85 4.028 12.072 -0.299 1.00 53.45 H new ATOM 0 HG11 VAL A 85 5.874 11.769 -1.910 1.00 62.01 H new ATOM 0 HG12 VAL A 85 5.554 13.485 -1.563 1.00 62.01 H new ATOM 0 HG13 VAL A 85 6.955 12.674 -0.824 1.00 62.01 H new ATOM 0 HG21 VAL A 85 5.461 10.052 -0.232 1.00 70.44 H new ATOM 0 HG22 VAL A 85 6.505 10.850 0.968 1.00 70.44 H new ATOM 0 HG23 VAL A 85 4.813 10.471 1.372 1.00 70.44 H new ATOM 1227 N SER A 86 6.649 12.637 2.919 1.00 3.05 N ATOM 1228 CA SER A 86 7.906 12.588 3.608 1.00 73.03 C ATOM 1229 C SER A 86 8.870 11.623 2.889 1.00 53.22 C ATOM 1230 O SER A 86 8.451 10.838 2.035 1.00 31.34 O ATOM 1231 CB SER A 86 7.656 12.117 5.032 1.00 64.51 C ATOM 1232 OG SER A 86 6.674 12.919 5.674 1.00 4.24 O ATOM 0 H SER A 86 5.907 12.102 3.370 1.00 3.05 H new ATOM 0 HA SER A 86 8.362 13.578 3.619 1.00 73.03 H new ATOM 0 HB2 SER A 86 7.330 11.077 5.022 1.00 64.51 H new ATOM 0 HB3 SER A 86 8.586 12.154 5.599 1.00 64.51 H new ATOM 0 HG SER A 86 6.753 12.818 6.646 1.00 4.24 H new ATOM 1238 N ARG A 87 10.152 11.679 3.243 1.00 34.31 N ATOM 1239 CA ARG A 87 11.162 10.796 2.661 1.00 21.21 C ATOM 1240 C ARG A 87 10.848 9.351 3.010 1.00 61.00 C ATOM 1241 O ARG A 87 11.011 8.446 2.193 1.00 34.13 O ATOM 1242 CB ARG A 87 12.569 11.225 3.087 1.00 25.42 C ATOM 1243 CG ARG A 87 12.961 12.577 2.512 1.00 73.14 C ATOM 1244 CD ARG A 87 13.124 12.494 1.003 1.00 42.25 C ATOM 1245 NE ARG A 87 13.131 13.801 0.361 1.00 71.50 N ATOM 1246 CZ ARG A 87 13.690 14.067 -0.823 1.00 75.25 C ATOM 1247 NH1 ARG A 87 14.511 13.188 -1.392 1.00 54.25 N ATOM 1248 NH2 ARG A 87 13.453 15.222 -1.416 1.00 21.31 N ATOM 0 H ARG A 87 10.519 12.332 3.936 1.00 34.31 H new ATOM 0 HA ARG A 87 11.136 10.877 1.574 1.00 21.21 H new ATOM 0 HB2 ARG A 87 12.619 11.267 4.175 1.00 25.42 H new ATOM 0 HB3 ARG A 87 13.289 10.473 2.764 1.00 25.42 H new ATOM 0 HG2 ARG A 87 12.200 13.317 2.760 1.00 73.14 H new ATOM 0 HG3 ARG A 87 13.893 12.914 2.965 1.00 73.14 H new ATOM 0 HD2 ARG A 87 14.055 11.976 0.771 1.00 42.25 H new ATOM 0 HD3 ARG A 87 12.314 11.895 0.587 1.00 42.25 H new ATOM 0 HE ARG A 87 12.675 14.570 0.852 1.00 71.50 H new ATOM 0 HH11 ARG A 87 14.717 12.305 -0.924 1.00 54.25 H new ATOM 0 HH12 ARG A 87 14.935 13.397 -2.296 1.00 54.25 H new ATOM 0 HH21 ARG A 87 12.845 15.909 -0.970 1.00 21.31 H new ATOM 0 HH22 ARG A 87 13.878 15.428 -2.320 1.00 21.31 H new ATOM 1262 N ARG A 88 10.382 9.157 4.192 1.00 2.21 N ATOM 1263 CA ARG A 88 9.800 7.918 4.600 1.00 71.33 C ATOM 1264 C ARG A 88 8.426 8.242 5.122 1.00 42.40 C ATOM 1265 O ARG A 88 8.284 9.062 6.029 1.00 32.31 O ATOM 1266 CB ARG A 88 10.647 7.106 5.625 1.00 44.20 C ATOM 1267 CG ARG A 88 11.187 7.869 6.844 1.00 3.43 C ATOM 1268 CD ARG A 88 12.502 8.566 6.526 1.00 34.34 C ATOM 1269 NE ARG A 88 13.528 7.589 6.132 1.00 12.32 N ATOM 1270 CZ ARG A 88 14.826 7.835 5.961 1.00 40.22 C ATOM 1271 NH1 ARG A 88 15.306 9.061 6.128 1.00 65.44 N ATOM 1272 NH2 ARG A 88 15.645 6.838 5.624 1.00 71.24 N ATOM 0 H ARG A 88 10.393 9.868 4.923 1.00 2.21 H new ATOM 0 HA ARG A 88 9.754 7.248 3.742 1.00 71.33 H new ATOM 0 HB2 ARG A 88 10.038 6.277 5.987 1.00 44.20 H new ATOM 0 HB3 ARG A 88 11.494 6.671 5.095 1.00 44.20 H new ATOM 0 HG2 ARG A 88 10.452 8.606 7.168 1.00 3.43 H new ATOM 0 HG3 ARG A 88 11.332 7.177 7.673 1.00 3.43 H new ATOM 0 HD2 ARG A 88 12.352 9.287 5.722 1.00 34.34 H new ATOM 0 HD3 ARG A 88 12.842 9.126 7.397 1.00 34.34 H new ATOM 0 HE ARG A 88 13.216 6.631 5.974 1.00 12.32 H new ATOM 0 HH11 ARG A 88 14.680 9.823 6.389 1.00 65.44 H new ATOM 0 HH12 ARG A 88 16.301 9.242 5.995 1.00 65.44 H new ATOM 0 HH21 ARG A 88 15.276 5.895 5.499 1.00 71.24 H new ATOM 0 HH22 ARG A 88 16.640 7.018 5.491 1.00 71.24 H new ATOM 1286 N HIS A 89 7.424 7.682 4.508 1.00 61.53 N ATOM 1287 CA HIS A 89 6.059 7.991 4.866 1.00 43.33 C ATOM 1288 C HIS A 89 5.450 6.820 5.622 1.00 24.15 C ATOM 1289 O HIS A 89 5.114 6.931 6.790 1.00 21.34 O ATOM 1290 CB HIS A 89 5.248 8.313 3.590 1.00 14.52 C ATOM 1291 CG HIS A 89 3.838 8.786 3.834 1.00 63.03 C ATOM 1292 ND1 HIS A 89 3.451 10.062 3.531 1.00 4.12 N ATOM 1293 CD2 HIS A 89 2.778 8.108 4.327 1.00 41.10 C ATOM 1294 CE1 HIS A 89 2.168 10.124 3.848 1.00 35.42 C ATOM 1295 NE2 HIS A 89 1.724 8.965 4.338 1.00 44.05 N ATOM 0 H HIS A 89 7.522 7.004 3.752 1.00 61.53 H new ATOM 0 HA HIS A 89 6.037 8.866 5.516 1.00 43.33 H new ATOM 0 HB2 HIS A 89 5.779 9.078 3.024 1.00 14.52 H new ATOM 0 HB3 HIS A 89 5.213 7.421 2.965 1.00 14.52 H new ATOM 0 HD2 HIS A 89 2.770 7.078 4.651 1.00 41.10 H new ATOM 0 HE1 HIS A 89 1.555 11.005 3.725 1.00 35.42 H new ATOM 0 HE2 HIS A 89 0.777 8.762 4.659 1.00 44.05 H new ATOM 1303 N ALA A 90 5.345 5.706 4.968 1.00 1.13 N ATOM 1304 CA ALA A 90 4.784 4.538 5.578 1.00 52.11 C ATOM 1305 C ALA A 90 5.655 3.378 5.251 1.00 34.24 C ATOM 1306 O ALA A 90 5.887 3.073 4.075 1.00 44.55 O ATOM 1307 CB ALA A 90 3.359 4.297 5.091 1.00 73.13 C ATOM 0 H ALA A 90 5.644 5.579 4.001 1.00 1.13 H new ATOM 0 HA ALA A 90 4.736 4.675 6.658 1.00 52.11 H new ATOM 0 HB1 ALA A 90 2.957 3.404 5.570 1.00 73.13 H new ATOM 0 HB2 ALA A 90 2.738 5.156 5.345 1.00 73.13 H new ATOM 0 HB3 ALA A 90 3.363 4.159 4.010 1.00 73.13 H new ATOM 1313 N GLU A 91 6.187 2.765 6.250 1.00 53.41 N ATOM 1314 CA GLU A 91 7.024 1.634 6.025 1.00 34.11 C ATOM 1315 C GLU A 91 6.270 0.372 6.385 1.00 63.32 C ATOM 1316 O GLU A 91 5.685 0.262 7.470 1.00 31.53 O ATOM 1317 CB GLU A 91 8.348 1.763 6.777 1.00 31.22 C ATOM 1318 CG GLU A 91 9.045 3.096 6.505 1.00 42.13 C ATOM 1319 CD GLU A 91 10.466 3.141 6.984 1.00 75.42 C ATOM 1320 OE1 GLU A 91 10.708 3.130 8.209 1.00 53.40 O ATOM 1321 OE2 GLU A 91 11.381 3.196 6.136 1.00 41.45 O ATOM 0 H GLU A 91 6.060 3.024 7.228 1.00 53.41 H new ATOM 0 HA GLU A 91 7.285 1.581 4.968 1.00 34.11 H new ATOM 0 HB2 GLU A 91 8.166 1.663 7.847 1.00 31.22 H new ATOM 0 HB3 GLU A 91 9.008 0.945 6.488 1.00 31.22 H new ATOM 0 HG2 GLU A 91 9.025 3.294 5.433 1.00 42.13 H new ATOM 0 HG3 GLU A 91 8.483 3.895 6.987 1.00 42.13 H new ATOM 1328 N PHE A 92 6.258 -0.545 5.467 1.00 34.23 N ATOM 1329 CA PHE A 92 5.531 -1.779 5.596 1.00 41.20 C ATOM 1330 C PHE A 92 6.532 -2.874 5.866 1.00 43.32 C ATOM 1331 O PHE A 92 7.434 -3.112 5.058 1.00 22.40 O ATOM 1332 CB PHE A 92 4.796 -2.097 4.283 1.00 65.13 C ATOM 1333 CG PHE A 92 4.125 -0.911 3.634 1.00 44.41 C ATOM 1334 CD1 PHE A 92 3.045 -0.293 4.224 1.00 2.41 C ATOM 1335 CD2 PHE A 92 4.583 -0.428 2.417 1.00 21.20 C ATOM 1336 CE1 PHE A 92 2.429 0.787 3.623 1.00 11.01 C ATOM 1337 CE2 PHE A 92 3.974 0.650 1.809 1.00 12.40 C ATOM 1338 CZ PHE A 92 2.894 1.259 2.412 1.00 34.52 C ATOM 0 H PHE A 92 6.764 -0.458 4.585 1.00 34.23 H new ATOM 0 HA PHE A 92 4.802 -1.700 6.402 1.00 41.20 H new ATOM 0 HB2 PHE A 92 5.508 -2.525 3.578 1.00 65.13 H new ATOM 0 HB3 PHE A 92 4.044 -2.861 4.479 1.00 65.13 H new ATOM 0 HD1 PHE A 92 2.674 -0.658 5.170 1.00 2.41 H new ATOM 0 HD2 PHE A 92 5.428 -0.902 1.939 1.00 21.20 H new ATOM 0 HE1 PHE A 92 1.584 1.262 4.100 1.00 11.01 H new ATOM 0 HE2 PHE A 92 4.343 1.016 0.862 1.00 12.40 H new ATOM 0 HZ PHE A 92 2.413 2.102 1.939 1.00 34.52 H new ATOM 1348 N ARG A 93 6.409 -3.521 6.965 1.00 74.40 N ATOM 1349 CA ARG A 93 7.327 -4.552 7.301 1.00 30.32 C ATOM 1350 C ARG A 93 6.583 -5.866 7.429 1.00 1.34 C ATOM 1351 O ARG A 93 5.408 -5.894 7.817 1.00 23.20 O ATOM 1352 CB ARG A 93 8.072 -4.200 8.596 1.00 41.33 C ATOM 1353 CG ARG A 93 9.216 -5.140 8.904 1.00 41.52 C ATOM 1354 CD ARG A 93 9.948 -4.756 10.158 1.00 32.25 C ATOM 1355 NE ARG A 93 11.099 -5.631 10.389 1.00 71.50 N ATOM 1356 CZ ARG A 93 11.878 -5.612 11.476 1.00 51.25 C ATOM 1357 NH1 ARG A 93 11.583 -4.808 12.498 1.00 22.21 N ATOM 1358 NH2 ARG A 93 12.942 -6.413 11.548 1.00 54.35 N ATOM 0 H ARG A 93 5.676 -3.355 7.655 1.00 74.40 H new ATOM 0 HA ARG A 93 8.071 -4.652 6.511 1.00 30.32 H new ATOM 0 HB2 ARG A 93 8.457 -3.183 8.520 1.00 41.33 H new ATOM 0 HB3 ARG A 93 7.367 -4.213 9.427 1.00 41.33 H new ATOM 0 HG2 ARG A 93 8.832 -6.155 9.007 1.00 41.52 H new ATOM 0 HG3 ARG A 93 9.913 -5.146 8.066 1.00 41.52 H new ATOM 0 HD2 ARG A 93 10.283 -3.722 10.084 1.00 32.25 H new ATOM 0 HD3 ARG A 93 9.270 -4.811 11.009 1.00 32.25 H new ATOM 0 HE ARG A 93 11.325 -6.310 9.662 1.00 71.50 H new ATOM 0 HH11 ARG A 93 10.761 -4.205 12.452 1.00 22.21 H new ATOM 0 HH12 ARG A 93 12.179 -4.796 13.326 1.00 22.21 H new ATOM 0 HH21 ARG A 93 13.162 -7.040 10.774 1.00 54.35 H new ATOM 0 HH22 ARG A 93 13.536 -6.398 12.377 1.00 54.35 H new ATOM 1372 N ILE A 94 7.247 -6.935 7.115 1.00 44.42 N ATOM 1373 CA ILE A 94 6.648 -8.231 7.193 1.00 74.54 C ATOM 1374 C ILE A 94 7.361 -9.061 8.248 1.00 41.43 C ATOM 1375 O ILE A 94 8.593 -9.135 8.294 1.00 24.54 O ATOM 1376 CB ILE A 94 6.594 -8.954 5.789 1.00 0.25 C ATOM 1377 CG1 ILE A 94 6.106 -10.415 5.888 1.00 64.11 C ATOM 1378 CG2 ILE A 94 7.911 -8.876 5.047 1.00 4.55 C ATOM 1379 CD1 ILE A 94 4.681 -10.567 6.368 1.00 42.10 C ATOM 0 H ILE A 94 8.217 -6.934 6.798 1.00 44.42 H new ATOM 0 HA ILE A 94 5.608 -8.113 7.496 1.00 74.54 H new ATOM 0 HB ILE A 94 5.854 -8.404 5.207 1.00 0.25 H new ATOM 0 HG12 ILE A 94 6.198 -10.883 4.908 1.00 64.11 H new ATOM 0 HG13 ILE A 94 6.764 -10.960 6.565 1.00 64.11 H new ATOM 0 HG21 ILE A 94 7.820 -9.388 4.089 1.00 4.55 H new ATOM 0 HG22 ILE A 94 8.171 -7.831 4.877 1.00 4.55 H new ATOM 0 HG23 ILE A 94 8.692 -9.353 5.640 1.00 4.55 H new ATOM 0 HD11 ILE A 94 4.421 -11.625 6.408 1.00 42.10 H new ATOM 0 HD12 ILE A 94 4.584 -10.132 7.363 1.00 42.10 H new ATOM 0 HD13 ILE A 94 4.009 -10.054 5.680 1.00 42.10 H new ATOM 1391 N ASN A 95 6.567 -9.588 9.127 1.00 41.01 N ATOM 1392 CA ASN A 95 6.968 -10.406 10.229 1.00 42.14 C ATOM 1393 C ASN A 95 6.529 -11.806 9.894 1.00 13.21 C ATOM 1394 O ASN A 95 5.530 -11.974 9.203 1.00 72.24 O ATOM 1395 CB ASN A 95 6.281 -9.872 11.512 1.00 71.44 C ATOM 1396 CG ASN A 95 6.331 -10.798 12.718 1.00 75.35 C ATOM 1397 OD1 ASN A 95 5.427 -11.608 12.927 1.00 21.33 O ATOM 1398 ND2 ASN A 95 7.357 -10.701 13.498 1.00 13.12 N ATOM 0 H ASN A 95 5.557 -9.449 9.092 1.00 41.01 H new ATOM 0 HA ASN A 95 8.044 -10.392 10.405 1.00 42.14 H new ATOM 0 HB2 ASN A 95 6.746 -8.925 11.784 1.00 71.44 H new ATOM 0 HB3 ASN A 95 5.237 -9.660 11.282 1.00 71.44 H new ATOM 0 HD21 ASN A 95 7.435 -11.306 14.315 1.00 13.12 H new ATOM 0 HD22 ASN A 95 8.088 -10.019 13.296 1.00 13.12 H new ATOM 1405 N GLU A 96 7.277 -12.800 10.314 1.00 43.42 N ATOM 1406 CA GLU A 96 6.973 -14.198 10.005 1.00 42.31 C ATOM 1407 C GLU A 96 5.547 -14.626 10.421 1.00 61.54 C ATOM 1408 O GLU A 96 5.033 -15.647 9.939 1.00 12.03 O ATOM 1409 CB GLU A 96 8.027 -15.175 10.583 1.00 10.31 C ATOM 1410 CG GLU A 96 8.365 -14.990 12.066 1.00 63.23 C ATOM 1411 CD GLU A 96 9.430 -13.938 12.310 1.00 23.32 C ATOM 1412 OE1 GLU A 96 9.159 -12.733 12.167 1.00 32.10 O ATOM 1413 OE2 GLU A 96 10.570 -14.310 12.650 1.00 22.34 O ATOM 0 H GLU A 96 8.116 -12.673 10.880 1.00 43.42 H new ATOM 0 HA GLU A 96 7.017 -14.259 8.918 1.00 42.31 H new ATOM 0 HB2 GLU A 96 7.670 -16.194 10.436 1.00 10.31 H new ATOM 0 HB3 GLU A 96 8.945 -15.073 10.005 1.00 10.31 H new ATOM 0 HG2 GLU A 96 7.460 -14.713 12.606 1.00 63.23 H new ATOM 0 HG3 GLU A 96 8.703 -15.942 12.476 1.00 63.23 H new ATOM 1420 N GLY A 97 4.926 -13.859 11.304 1.00 24.04 N ATOM 1421 CA GLY A 97 3.585 -14.137 11.720 1.00 52.02 C ATOM 1422 C GLY A 97 2.565 -13.138 11.163 1.00 50.21 C ATOM 1423 O GLY A 97 1.495 -13.544 10.673 1.00 30.10 O ATOM 0 H GLY A 97 5.343 -13.037 11.741 1.00 24.04 H new ATOM 0 HA2 GLY A 97 3.312 -15.143 11.400 1.00 52.02 H new ATOM 0 HA3 GLY A 97 3.539 -14.126 12.809 1.00 52.02 H new ATOM 1427 N GLU A 98 2.883 -11.837 11.209 1.00 51.23 N ATOM 1428 CA GLU A 98 1.931 -10.807 10.809 1.00 53.11 C ATOM 1429 C GLU A 98 2.570 -9.763 9.899 1.00 52.22 C ATOM 1430 O GLU A 98 3.766 -9.770 9.659 1.00 5.24 O ATOM 1431 CB GLU A 98 1.348 -10.049 12.024 1.00 23.50 C ATOM 1432 CG GLU A 98 0.606 -10.865 13.078 1.00 12.42 C ATOM 1433 CD GLU A 98 1.516 -11.526 14.086 1.00 33.12 C ATOM 1434 OE1 GLU A 98 2.047 -10.811 14.974 1.00 75.10 O ATOM 1435 OE2 GLU A 98 1.671 -12.749 14.055 1.00 14.43 O ATOM 0 H GLU A 98 3.787 -11.480 11.518 1.00 51.23 H new ATOM 0 HA GLU A 98 1.140 -11.340 10.281 1.00 53.11 H new ATOM 0 HB2 GLU A 98 2.167 -9.527 12.519 1.00 23.50 H new ATOM 0 HB3 GLU A 98 0.666 -9.287 11.648 1.00 23.50 H new ATOM 0 HG2 GLU A 98 -0.092 -10.214 13.604 1.00 12.42 H new ATOM 0 HG3 GLU A 98 0.013 -11.632 12.580 1.00 12.42 H new ATOM 1442 N PHE A 99 1.756 -8.857 9.426 1.00 23.22 N ATOM 1443 CA PHE A 99 2.198 -7.728 8.638 1.00 14.14 C ATOM 1444 C PHE A 99 2.141 -6.508 9.557 1.00 3.54 C ATOM 1445 O PHE A 99 1.178 -6.361 10.318 1.00 33.43 O ATOM 1446 CB PHE A 99 1.251 -7.506 7.438 1.00 73.40 C ATOM 1447 CG PHE A 99 1.175 -8.637 6.439 1.00 32.21 C ATOM 1448 CD1 PHE A 99 0.318 -9.710 6.642 1.00 33.04 C ATOM 1449 CD2 PHE A 99 1.947 -8.615 5.289 1.00 52.44 C ATOM 1450 CE1 PHE A 99 0.239 -10.738 5.722 1.00 22.34 C ATOM 1451 CE2 PHE A 99 1.870 -9.641 4.362 1.00 44.24 C ATOM 1452 CZ PHE A 99 1.015 -10.703 4.580 1.00 43.32 C ATOM 0 H PHE A 99 0.748 -8.880 9.578 1.00 23.22 H new ATOM 0 HA PHE A 99 3.202 -7.897 8.250 1.00 14.14 H new ATOM 0 HB2 PHE A 99 0.248 -7.318 7.821 1.00 73.40 H new ATOM 0 HB3 PHE A 99 1.566 -6.604 6.913 1.00 73.40 H new ATOM 0 HD1 PHE A 99 -0.295 -9.742 7.531 1.00 33.04 H new ATOM 0 HD2 PHE A 99 2.618 -7.787 5.113 1.00 52.44 H new ATOM 0 HE1 PHE A 99 -0.429 -11.568 5.896 1.00 22.34 H new ATOM 0 HE2 PHE A 99 2.478 -9.610 3.470 1.00 44.24 H new ATOM 0 HZ PHE A 99 0.953 -11.505 3.859 1.00 43.32 H new ATOM 1462 N GLU A 100 3.130 -5.658 9.518 1.00 33.02 N ATOM 1463 CA GLU A 100 3.147 -4.502 10.396 1.00 21.04 C ATOM 1464 C GLU A 100 3.438 -3.241 9.593 1.00 51.01 C ATOM 1465 O GLU A 100 4.377 -3.205 8.802 1.00 30.53 O ATOM 1466 CB GLU A 100 4.179 -4.708 11.526 1.00 60.03 C ATOM 1467 CG GLU A 100 4.208 -3.606 12.584 1.00 63.33 C ATOM 1468 CD GLU A 100 5.147 -3.930 13.728 1.00 42.23 C ATOM 1469 OE1 GLU A 100 4.726 -4.621 14.685 1.00 74.21 O ATOM 1470 OE2 GLU A 100 6.331 -3.517 13.692 1.00 53.23 O ATOM 0 H GLU A 100 3.934 -5.736 8.895 1.00 33.02 H new ATOM 0 HA GLU A 100 2.167 -4.384 10.859 1.00 21.04 H new ATOM 0 HB2 GLU A 100 3.971 -5.658 12.018 1.00 60.03 H new ATOM 0 HB3 GLU A 100 5.171 -4.790 11.081 1.00 60.03 H new ATOM 0 HG2 GLU A 100 4.514 -2.668 12.120 1.00 63.33 H new ATOM 0 HG3 GLU A 100 3.202 -3.454 12.975 1.00 63.33 H new ATOM 1477 N VAL A 101 2.627 -2.228 9.779 1.00 12.24 N ATOM 1478 CA VAL A 101 2.799 -0.978 9.065 1.00 15.10 C ATOM 1479 C VAL A 101 3.088 0.156 10.043 1.00 33.41 C ATOM 1480 O VAL A 101 2.373 0.333 11.047 1.00 53.42 O ATOM 1481 CB VAL A 101 1.568 -0.634 8.146 1.00 44.14 C ATOM 1482 CG1 VAL A 101 0.261 -0.603 8.931 1.00 64.42 C ATOM 1483 CG2 VAL A 101 1.778 0.693 7.421 1.00 54.22 C ATOM 0 H VAL A 101 1.835 -2.242 10.422 1.00 12.24 H new ATOM 0 HA VAL A 101 3.656 -1.098 8.402 1.00 15.10 H new ATOM 0 HB VAL A 101 1.494 -1.431 7.406 1.00 44.14 H new ATOM 0 HG11 VAL A 101 -0.562 -0.362 8.258 1.00 64.42 H new ATOM 0 HG12 VAL A 101 0.085 -1.579 9.384 1.00 64.42 H new ATOM 0 HG13 VAL A 101 0.324 0.154 9.713 1.00 64.42 H new ATOM 0 HG21 VAL A 101 0.913 0.906 6.793 1.00 54.22 H new ATOM 0 HG22 VAL A 101 1.901 1.492 8.152 1.00 54.22 H new ATOM 0 HG23 VAL A 101 2.671 0.630 6.799 1.00 54.22 H new ATOM 1493 N VAL A 102 4.152 0.881 9.791 1.00 11.45 N ATOM 1494 CA VAL A 102 4.513 1.997 10.621 1.00 70.31 C ATOM 1495 C VAL A 102 4.520 3.314 9.836 1.00 5.24 C ATOM 1496 O VAL A 102 5.202 3.453 8.811 1.00 72.34 O ATOM 1497 CB VAL A 102 5.867 1.786 11.387 1.00 14.22 C ATOM 1498 CG1 VAL A 102 5.745 0.652 12.397 1.00 14.24 C ATOM 1499 CG2 VAL A 102 7.027 1.510 10.432 1.00 30.34 C ATOM 0 H VAL A 102 4.786 0.713 9.010 1.00 11.45 H new ATOM 0 HA VAL A 102 3.735 2.063 11.381 1.00 70.31 H new ATOM 0 HB VAL A 102 6.082 2.715 11.916 1.00 14.22 H new ATOM 0 HG11 VAL A 102 6.695 0.523 12.916 1.00 14.24 H new ATOM 0 HG12 VAL A 102 4.966 0.891 13.120 1.00 14.24 H new ATOM 0 HG13 VAL A 102 5.487 -0.271 11.878 1.00 14.24 H new ATOM 0 HG21 VAL A 102 7.944 1.370 11.004 1.00 30.34 H new ATOM 0 HG22 VAL A 102 6.818 0.608 9.856 1.00 30.34 H new ATOM 0 HG23 VAL A 102 7.148 2.354 9.753 1.00 30.34 H new ATOM 1509 N ASP A 103 3.717 4.238 10.290 1.00 4.05 N ATOM 1510 CA ASP A 103 3.653 5.572 9.745 1.00 23.25 C ATOM 1511 C ASP A 103 4.731 6.436 10.339 1.00 31.14 C ATOM 1512 O ASP A 103 4.865 6.547 11.571 1.00 14.23 O ATOM 1513 CB ASP A 103 2.290 6.209 10.016 1.00 13.44 C ATOM 1514 CG ASP A 103 2.308 7.719 9.843 1.00 15.12 C ATOM 1515 OD1 ASP A 103 2.603 8.196 8.736 1.00 13.34 O ATOM 1516 OD2 ASP A 103 2.065 8.441 10.835 1.00 61.22 O ATOM 0 H ASP A 103 3.074 4.083 11.066 1.00 4.05 H new ATOM 0 HA ASP A 103 3.801 5.497 8.668 1.00 23.25 H new ATOM 0 HB2 ASP A 103 1.551 5.778 9.341 1.00 13.44 H new ATOM 0 HB3 ASP A 103 1.975 5.967 11.031 1.00 13.44 H new ATOM 1521 N VAL A 104 5.508 6.995 9.482 1.00 53.44 N ATOM 1522 CA VAL A 104 6.553 7.908 9.842 1.00 3.02 C ATOM 1523 C VAL A 104 6.391 9.220 9.061 1.00 41.32 C ATOM 1524 O VAL A 104 7.312 10.046 8.992 1.00 22.43 O ATOM 1525 CB VAL A 104 7.970 7.283 9.642 1.00 60.35 C ATOM 1526 CG1 VAL A 104 8.256 6.257 10.730 1.00 35.23 C ATOM 1527 CG2 VAL A 104 8.078 6.610 8.286 1.00 34.03 C ATOM 0 H VAL A 104 5.439 6.830 8.478 1.00 53.44 H new ATOM 0 HA VAL A 104 6.466 8.127 10.906 1.00 3.02 H new ATOM 0 HB VAL A 104 8.700 8.090 9.699 1.00 60.35 H new ATOM 0 HG11 VAL A 104 9.247 5.831 10.576 1.00 35.23 H new ATOM 0 HG12 VAL A 104 8.216 6.741 11.706 1.00 35.23 H new ATOM 0 HG13 VAL A 104 7.509 5.464 10.688 1.00 35.23 H new ATOM 0 HG21 VAL A 104 9.074 6.182 8.170 1.00 34.03 H new ATOM 0 HG22 VAL A 104 7.332 5.818 8.212 1.00 34.03 H new ATOM 0 HG23 VAL A 104 7.905 7.345 7.500 1.00 34.03 H new ATOM 1537 N GLY A 105 5.191 9.412 8.520 1.00 54.31 N ATOM 1538 CA GLY A 105 4.837 10.609 7.796 1.00 23.31 C ATOM 1539 C GLY A 105 3.561 11.172 8.377 1.00 63.23 C ATOM 1540 O GLY A 105 2.630 11.569 7.652 1.00 34.13 O ATOM 0 H GLY A 105 4.436 8.729 8.578 1.00 54.31 H new ATOM 0 HA2 GLY A 105 5.639 11.343 7.866 1.00 23.31 H new ATOM 0 HA3 GLY A 105 4.702 10.384 6.738 1.00 23.31 H new ATOM 1544 N SER A 106 3.543 11.242 9.698 1.00 34.12 N ATOM 1545 CA SER A 106 2.379 11.610 10.483 1.00 25.10 C ATOM 1546 C SER A 106 1.836 13.008 10.160 1.00 73.24 C ATOM 1547 O SER A 106 0.658 13.284 10.382 1.00 33.23 O ATOM 1548 CB SER A 106 2.730 11.503 11.962 1.00 35.52 C ATOM 1549 OG SER A 106 3.294 10.222 12.245 1.00 4.12 O ATOM 0 H SER A 106 4.363 11.038 10.269 1.00 34.12 H new ATOM 0 HA SER A 106 1.579 10.917 10.224 1.00 25.10 H new ATOM 0 HB2 SER A 106 3.437 12.287 12.233 1.00 35.52 H new ATOM 0 HB3 SER A 106 1.836 11.656 12.567 1.00 35.52 H new ATOM 0 HG SER A 106 3.012 9.582 11.559 1.00 4.12 H new ATOM 1555 N LEU A 107 2.672 13.879 9.625 1.00 63.11 N ATOM 1556 CA LEU A 107 2.220 15.222 9.311 1.00 65.35 C ATOM 1557 C LEU A 107 1.396 15.262 8.030 1.00 14.10 C ATOM 1558 O LEU A 107 0.624 16.199 7.813 1.00 63.42 O ATOM 1559 CB LEU A 107 3.370 16.217 9.257 1.00 3.14 C ATOM 1560 CG LEU A 107 4.135 16.446 10.570 1.00 3.54 C ATOM 1561 CD1 LEU A 107 5.234 17.469 10.372 1.00 22.52 C ATOM 1562 CD2 LEU A 107 3.191 16.892 11.685 1.00 44.52 C ATOM 0 H LEU A 107 3.649 13.687 9.402 1.00 63.11 H new ATOM 0 HA LEU A 107 1.567 15.526 10.129 1.00 65.35 H new ATOM 0 HB2 LEU A 107 4.080 15.879 8.502 1.00 3.14 H new ATOM 0 HB3 LEU A 107 2.977 17.176 8.918 1.00 3.14 H new ATOM 0 HG LEU A 107 4.586 15.499 10.865 1.00 3.54 H new ATOM 0 HD11 LEU A 107 5.765 17.619 11.312 1.00 22.52 H new ATOM 0 HD12 LEU A 107 5.931 17.112 9.614 1.00 22.52 H new ATOM 0 HD13 LEU A 107 4.798 18.414 10.047 1.00 22.52 H new ATOM 0 HD21 LEU A 107 3.759 17.047 12.602 1.00 44.52 H new ATOM 0 HD22 LEU A 107 2.704 17.824 11.398 1.00 44.52 H new ATOM 0 HD23 LEU A 107 2.436 16.124 11.851 1.00 44.52 H new ATOM 1574 N ASN A 108 1.555 14.266 7.184 1.00 1.11 N ATOM 1575 CA ASN A 108 0.747 14.179 5.979 1.00 23.43 C ATOM 1576 C ASN A 108 -0.586 13.565 6.370 1.00 10.23 C ATOM 1577 O ASN A 108 -1.648 13.953 5.881 1.00 53.51 O ATOM 1578 CB ASN A 108 1.423 13.316 4.917 1.00 15.44 C ATOM 1579 CG ASN A 108 0.719 13.375 3.562 1.00 4.51 C ATOM 1580 OD1 ASN A 108 -0.230 12.643 3.293 1.00 51.45 O ATOM 1581 ND2 ASN A 108 1.211 14.213 2.685 1.00 64.33 N ATOM 0 H ASN A 108 2.229 13.510 7.304 1.00 1.11 H new ATOM 0 HA ASN A 108 0.615 15.173 5.552 1.00 23.43 H new ATOM 0 HB2 ASN A 108 2.457 13.640 4.797 1.00 15.44 H new ATOM 0 HB3 ASN A 108 1.451 12.282 5.261 1.00 15.44 H new ATOM 0 HD21 ASN A 108 0.806 14.270 1.751 1.00 64.33 H new ATOM 0 HD22 ASN A 108 2.000 14.809 2.936 1.00 64.33 H new ATOM 1588 N GLY A 109 -0.511 12.637 7.306 1.00 75.42 N ATOM 1589 CA GLY A 109 -1.699 12.010 7.832 1.00 75.24 C ATOM 1590 C GLY A 109 -1.939 10.608 7.309 1.00 73.24 C ATOM 1591 O GLY A 109 -2.632 10.422 6.303 1.00 1.00 O ATOM 0 H GLY A 109 0.362 12.304 7.715 1.00 75.42 H new ATOM 0 HA2 GLY A 109 -1.627 11.974 8.919 1.00 75.24 H new ATOM 0 HA3 GLY A 109 -2.562 12.630 7.590 1.00 75.24 H new ATOM 1595 N THR A 110 -1.376 9.630 7.977 1.00 3.11 N ATOM 1596 CA THR A 110 -1.613 8.251 7.639 1.00 11.34 C ATOM 1597 C THR A 110 -2.667 7.681 8.606 1.00 31.10 C ATOM 1598 O THR A 110 -2.491 7.710 9.829 1.00 33.51 O ATOM 1599 CB THR A 110 -0.304 7.439 7.711 1.00 63.33 C ATOM 1600 OG1 THR A 110 0.698 8.109 6.919 1.00 1.40 O ATOM 1601 CG2 THR A 110 -0.509 6.028 7.160 1.00 43.21 C ATOM 0 H THR A 110 -0.744 9.768 8.766 1.00 3.11 H new ATOM 0 HA THR A 110 -1.983 8.182 6.616 1.00 11.34 H new ATOM 0 HB THR A 110 0.010 7.365 8.752 1.00 63.33 H new ATOM 0 HG1 THR A 110 1.466 8.333 7.485 1.00 1.40 H new ATOM 0 HG21 THR A 110 0.428 5.474 7.221 1.00 43.21 H new ATOM 0 HG22 THR A 110 -1.272 5.516 7.746 1.00 43.21 H new ATOM 0 HG23 THR A 110 -0.829 6.087 6.120 1.00 43.21 H new ATOM 1609 N TYR A 111 -3.767 7.228 8.060 1.00 2.53 N ATOM 1610 CA TYR A 111 -4.858 6.711 8.845 1.00 10.31 C ATOM 1611 C TYR A 111 -5.217 5.335 8.333 1.00 13.45 C ATOM 1612 O TYR A 111 -5.010 5.030 7.164 1.00 43.41 O ATOM 1613 CB TYR A 111 -6.104 7.614 8.711 1.00 14.00 C ATOM 1614 CG TYR A 111 -5.840 9.092 8.871 1.00 74.34 C ATOM 1615 CD1 TYR A 111 -5.638 9.652 10.115 1.00 42.04 C ATOM 1616 CD2 TYR A 111 -5.783 9.926 7.758 1.00 51.43 C ATOM 1617 CE1 TYR A 111 -5.388 10.997 10.256 1.00 50.02 C ATOM 1618 CE2 TYR A 111 -5.533 11.274 7.891 1.00 53.41 C ATOM 1619 CZ TYR A 111 -5.334 11.804 9.144 1.00 33.14 C ATOM 1620 OH TYR A 111 -5.085 13.151 9.283 1.00 41.04 O ATOM 0 H TYR A 111 -3.931 7.208 7.054 1.00 2.53 H new ATOM 0 HA TYR A 111 -4.550 6.675 9.890 1.00 10.31 H new ATOM 0 HB2 TYR A 111 -6.554 7.444 7.733 1.00 14.00 H new ATOM 0 HB3 TYR A 111 -6.838 7.308 9.457 1.00 14.00 H new ATOM 0 HD1 TYR A 111 -5.677 9.024 10.993 1.00 42.04 H new ATOM 0 HD2 TYR A 111 -5.937 9.509 6.774 1.00 51.43 H new ATOM 0 HE1 TYR A 111 -5.234 11.419 11.238 1.00 50.02 H new ATOM 0 HE2 TYR A 111 -5.494 11.909 7.018 1.00 53.41 H new ATOM 0 HH TYR A 111 -5.079 13.575 8.400 1.00 41.04 H new ATOM 1630 N VAL A 112 -5.739 4.520 9.182 1.00 32.24 N ATOM 1631 CA VAL A 112 -6.204 3.226 8.786 1.00 3.02 C ATOM 1632 C VAL A 112 -7.711 3.275 8.783 1.00 4.24 C ATOM 1633 O VAL A 112 -8.347 3.475 9.842 1.00 32.05 O ATOM 1634 CB VAL A 112 -5.673 2.093 9.704 1.00 73.32 C ATOM 1635 CG1 VAL A 112 -6.209 0.738 9.253 1.00 24.21 C ATOM 1636 CG2 VAL A 112 -4.147 2.077 9.680 1.00 63.33 C ATOM 0 H VAL A 112 -5.858 4.727 10.174 1.00 32.24 H new ATOM 0 HA VAL A 112 -5.823 2.989 7.793 1.00 3.02 H new ATOM 0 HB VAL A 112 -6.018 2.283 10.720 1.00 73.32 H new ATOM 0 HG11 VAL A 112 -5.825 -0.042 9.910 1.00 24.21 H new ATOM 0 HG12 VAL A 112 -7.298 0.745 9.296 1.00 24.21 H new ATOM 0 HG13 VAL A 112 -5.888 0.542 8.230 1.00 24.21 H new ATOM 0 HG21 VAL A 112 -3.781 1.279 10.327 1.00 63.33 H new ATOM 0 HG22 VAL A 112 -3.801 1.905 8.661 1.00 63.33 H new ATOM 0 HG23 VAL A 112 -3.767 3.035 10.036 1.00 63.33 H new ATOM 1646 N ASN A 113 -8.263 3.155 7.592 1.00 43.24 N ATOM 1647 CA ASN A 113 -9.687 3.277 7.278 1.00 73.24 C ATOM 1648 C ASN A 113 -10.146 4.714 7.503 1.00 3.14 C ATOM 1649 O ASN A 113 -10.350 5.462 6.561 1.00 23.23 O ATOM 1650 CB ASN A 113 -10.566 2.276 8.061 1.00 72.15 C ATOM 1651 CG ASN A 113 -11.990 2.222 7.530 1.00 1.54 C ATOM 1652 OD1 ASN A 113 -12.868 2.987 7.950 1.00 40.52 O ATOM 1653 ND2 ASN A 113 -12.234 1.310 6.624 1.00 35.10 N ATOM 0 H ASN A 113 -7.703 2.958 6.763 1.00 43.24 H new ATOM 0 HA ASN A 113 -9.812 3.021 6.226 1.00 73.24 H new ATOM 0 HB2 ASN A 113 -10.121 1.283 8.004 1.00 72.15 H new ATOM 0 HB3 ASN A 113 -10.583 2.557 9.114 1.00 72.15 H new ATOM 0 HD21 ASN A 113 -13.174 1.212 6.239 1.00 35.10 H new ATOM 0 HD22 ASN A 113 -11.485 0.697 6.302 1.00 35.10 H new ATOM 1660 N ARG A 114 -10.270 5.094 8.751 1.00 10.32 N ATOM 1661 CA ARG A 114 -10.639 6.451 9.141 1.00 75.43 C ATOM 1662 C ARG A 114 -9.855 6.902 10.374 1.00 22.41 C ATOM 1663 O ARG A 114 -9.815 8.084 10.678 1.00 25.42 O ATOM 1664 CB ARG A 114 -12.147 6.552 9.459 1.00 31.43 C ATOM 1665 CG ARG A 114 -13.116 6.465 8.271 1.00 32.25 C ATOM 1666 CD ARG A 114 -13.062 7.704 7.372 1.00 4.24 C ATOM 1667 NE ARG A 114 -11.834 7.794 6.570 1.00 33.11 N ATOM 1668 CZ ARG A 114 -11.250 8.930 6.168 1.00 43.42 C ATOM 1669 NH1 ARG A 114 -11.627 10.097 6.663 1.00 73.23 N ATOM 1670 NH2 ARG A 114 -10.275 8.882 5.286 1.00 45.42 N ATOM 0 H ARG A 114 -10.117 4.468 9.542 1.00 10.32 H new ATOM 0 HA ARG A 114 -10.400 7.097 8.296 1.00 75.43 H new ATOM 0 HB2 ARG A 114 -12.399 5.757 10.161 1.00 31.43 H new ATOM 0 HB3 ARG A 114 -12.323 7.498 9.971 1.00 31.43 H new ATOM 0 HG2 ARG A 114 -12.880 5.581 7.679 1.00 32.25 H new ATOM 0 HG3 ARG A 114 -14.132 6.336 8.645 1.00 32.25 H new ATOM 0 HD2 ARG A 114 -13.923 7.696 6.704 1.00 4.24 H new ATOM 0 HD3 ARG A 114 -13.148 8.597 7.992 1.00 4.24 H new ATOM 0 HE ARG A 114 -11.389 6.918 6.297 1.00 33.11 H new ATOM 0 HH11 ARG A 114 -12.371 10.139 7.360 1.00 73.23 H new ATOM 0 HH12 ARG A 114 -11.174 10.955 6.348 1.00 73.23 H new ATOM 0 HH21 ARG A 114 -9.969 7.983 4.913 1.00 45.42 H new ATOM 0 HH22 ARG A 114 -9.826 9.743 4.975 1.00 45.42 H new ATOM 1684 N GLU A 115 -9.190 5.977 11.043 1.00 64.21 N ATOM 1685 CA GLU A 115 -8.602 6.273 12.344 1.00 73.01 C ATOM 1686 C GLU A 115 -7.088 6.395 12.284 1.00 62.31 C ATOM 1687 O GLU A 115 -6.430 5.640 11.567 1.00 41.24 O ATOM 1688 CB GLU A 115 -9.000 5.203 13.357 1.00 21.12 C ATOM 1689 CG GLU A 115 -10.491 5.151 13.648 1.00 24.21 C ATOM 1690 CD GLU A 115 -11.006 6.435 14.257 1.00 71.23 C ATOM 1691 OE1 GLU A 115 -10.737 6.687 15.447 1.00 14.44 O ATOM 1692 OE2 GLU A 115 -11.691 7.211 13.561 1.00 72.11 O ATOM 0 H GLU A 115 -9.043 5.023 10.714 1.00 64.21 H new ATOM 0 HA GLU A 115 -8.992 7.241 12.659 1.00 73.01 H new ATOM 0 HB2 GLU A 115 -8.678 4.229 12.987 1.00 21.12 H new ATOM 0 HB3 GLU A 115 -8.464 5.383 14.289 1.00 21.12 H new ATOM 0 HG2 GLU A 115 -11.032 4.948 12.723 1.00 24.21 H new ATOM 0 HG3 GLU A 115 -10.697 4.323 14.326 1.00 24.21 H new ATOM 1699 N PRO A 116 -6.516 7.353 13.025 1.00 13.22 N ATOM 1700 CA PRO A 116 -5.079 7.551 13.077 1.00 52.24 C ATOM 1701 C PRO A 116 -4.354 6.439 13.844 1.00 21.53 C ATOM 1702 O PRO A 116 -4.268 6.442 15.076 1.00 14.44 O ATOM 1703 CB PRO A 116 -4.906 8.905 13.770 1.00 5.33 C ATOM 1704 CG PRO A 116 -6.150 9.086 14.576 1.00 21.40 C ATOM 1705 CD PRO A 116 -7.240 8.347 13.851 1.00 52.00 C ATOM 0 HA PRO A 116 -4.640 7.526 12.080 1.00 52.24 H new ATOM 0 HB2 PRO A 116 -4.020 8.914 14.404 1.00 5.33 H new ATOM 0 HB3 PRO A 116 -4.786 9.708 13.043 1.00 5.33 H new ATOM 0 HG2 PRO A 116 -6.019 8.693 15.584 1.00 21.40 H new ATOM 0 HG3 PRO A 116 -6.398 10.143 14.675 1.00 21.40 H new ATOM 0 HD2 PRO A 116 -7.925 7.863 14.547 1.00 52.00 H new ATOM 0 HD3 PRO A 116 -7.835 9.020 13.234 1.00 52.00 H new ATOM 1713 N ARG A 117 -3.918 5.466 13.110 1.00 31.21 N ATOM 1714 CA ARG A 117 -3.144 4.374 13.626 1.00 21.15 C ATOM 1715 C ARG A 117 -1.758 4.538 13.076 1.00 32.00 C ATOM 1716 O ARG A 117 -1.524 4.250 11.907 1.00 35.53 O ATOM 1717 CB ARG A 117 -3.737 3.033 13.160 1.00 74.33 C ATOM 1718 CG ARG A 117 -5.082 2.664 13.774 1.00 24.43 C ATOM 1719 CD ARG A 117 -4.916 2.191 15.206 1.00 2.15 C ATOM 1720 NE ARG A 117 -6.191 1.815 15.832 1.00 2.22 N ATOM 1721 CZ ARG A 117 -6.485 0.593 16.317 1.00 2.41 C ATOM 1722 NH1 ARG A 117 -5.702 -0.451 16.052 1.00 43.43 N ATOM 1723 NH2 ARG A 117 -7.595 0.411 17.020 1.00 21.31 N ATOM 0 H ARG A 117 -4.093 5.404 12.107 1.00 31.21 H new ATOM 0 HA ARG A 117 -3.143 4.375 14.716 1.00 21.15 H new ATOM 0 HB2 ARG A 117 -3.847 3.061 12.076 1.00 74.33 H new ATOM 0 HB3 ARG A 117 -3.023 2.241 13.387 1.00 74.33 H new ATOM 0 HG2 ARG A 117 -5.747 3.527 13.747 1.00 24.43 H new ATOM 0 HG3 ARG A 117 -5.554 1.880 13.181 1.00 24.43 H new ATOM 0 HD2 ARG A 117 -4.241 1.336 15.225 1.00 2.15 H new ATOM 0 HD3 ARG A 117 -4.447 2.981 15.793 1.00 2.15 H new ATOM 0 HE ARG A 117 -6.909 2.535 15.905 1.00 2.22 H new ATOM 0 HH11 ARG A 117 -4.869 -0.330 15.476 1.00 43.43 H new ATOM 0 HH12 ARG A 117 -5.935 -1.371 16.425 1.00 43.43 H new ATOM 0 HH21 ARG A 117 -8.224 1.195 17.192 1.00 21.31 H new ATOM 0 HH22 ARG A 117 -7.820 -0.513 17.388 1.00 21.31 H new ATOM 1737 N ASN A 118 -0.856 5.064 13.877 1.00 34.15 N ATOM 1738 CA ASN A 118 0.484 5.330 13.383 1.00 41.24 C ATOM 1739 C ASN A 118 1.272 4.054 13.277 1.00 51.52 C ATOM 1740 O ASN A 118 2.133 3.919 12.428 1.00 34.35 O ATOM 1741 CB ASN A 118 1.213 6.410 14.185 1.00 65.30 C ATOM 1742 CG ASN A 118 0.465 7.732 14.179 1.00 21.42 C ATOM 1743 OD1 ASN A 118 -0.338 8.008 15.080 1.00 60.52 O ATOM 1744 ND2 ASN A 118 0.667 8.545 13.168 1.00 72.12 N ATOM 0 H ASN A 118 -1.017 5.313 14.853 1.00 34.15 H new ATOM 0 HA ASN A 118 0.385 5.742 12.379 1.00 41.24 H new ATOM 0 HB2 ASN A 118 1.342 6.072 15.213 1.00 65.30 H new ATOM 0 HB3 ASN A 118 2.210 6.557 13.771 1.00 65.30 H new ATOM 0 HD21 ASN A 118 0.157 9.427 13.113 1.00 72.12 H new ATOM 0 HD22 ASN A 118 1.334 8.295 12.438 1.00 72.12 H new ATOM 1751 N ALA A 119 1.004 3.122 14.139 1.00 42.43 N ATOM 1752 CA ALA A 119 1.514 1.804 13.949 1.00 70.44 C ATOM 1753 C ALA A 119 0.317 0.913 13.968 1.00 73.11 C ATOM 1754 O ALA A 119 -0.574 1.098 14.800 1.00 64.31 O ATOM 1755 CB ALA A 119 2.487 1.427 15.056 1.00 54.14 C ATOM 0 H ALA A 119 0.437 3.251 14.977 1.00 42.43 H new ATOM 0 HA ALA A 119 2.070 1.719 13.015 1.00 70.44 H new ATOM 0 HB1 ALA A 119 2.859 0.417 14.885 1.00 54.14 H new ATOM 0 HB2 ALA A 119 3.323 2.126 15.059 1.00 54.14 H new ATOM 0 HB3 ALA A 119 1.977 1.467 16.018 1.00 54.14 H new ATOM 1761 N GLN A 120 0.259 -0.007 13.075 1.00 43.13 N ATOM 1762 CA GLN A 120 -0.871 -0.881 12.992 1.00 3.41 C ATOM 1763 C GLN A 120 -0.443 -2.283 12.630 1.00 34.11 C ATOM 1764 O GLN A 120 0.553 -2.465 11.908 1.00 3.45 O ATOM 1765 CB GLN A 120 -1.885 -0.315 11.965 1.00 32.31 C ATOM 1766 CG GLN A 120 -3.147 -1.150 11.751 1.00 42.33 C ATOM 1767 CD GLN A 120 -3.951 -1.374 13.020 1.00 65.43 C ATOM 1768 OE1 GLN A 120 -3.968 -0.552 13.922 1.00 41.51 O ATOM 1769 NE2 GLN A 120 -4.583 -2.508 13.110 1.00 20.55 N ATOM 0 H GLN A 120 0.986 -0.181 12.381 1.00 43.13 H new ATOM 0 HA GLN A 120 -1.355 -0.936 13.967 1.00 3.41 H new ATOM 0 HB2 GLN A 120 -2.182 0.683 12.287 1.00 32.31 H new ATOM 0 HB3 GLN A 120 -1.379 -0.203 11.006 1.00 32.31 H new ATOM 0 HG2 GLN A 120 -3.779 -0.655 11.013 1.00 42.33 H new ATOM 0 HG3 GLN A 120 -2.866 -2.117 11.333 1.00 42.33 H new ATOM 0 HE21 GLN A 120 -4.549 -3.174 12.338 1.00 20.55 H new ATOM 0 HE22 GLN A 120 -5.113 -2.731 13.953 1.00 20.55 H new ATOM 1778 N VAL A 121 -1.179 -3.261 13.112 1.00 21.13 N ATOM 1779 CA VAL A 121 -1.030 -4.589 12.615 1.00 75.24 C ATOM 1780 C VAL A 121 -1.817 -4.581 11.305 1.00 73.30 C ATOM 1781 O VAL A 121 -3.029 -4.315 11.280 1.00 23.24 O ATOM 1782 CB VAL A 121 -1.527 -5.693 13.627 1.00 24.42 C ATOM 1783 CG1 VAL A 121 -2.979 -5.493 14.061 1.00 15.31 C ATOM 1784 CG2 VAL A 121 -1.319 -7.089 13.051 1.00 52.54 C ATOM 0 H VAL A 121 -1.881 -3.151 13.844 1.00 21.13 H new ATOM 0 HA VAL A 121 0.017 -4.854 12.466 1.00 75.24 H new ATOM 0 HB VAL A 121 -0.918 -5.589 14.525 1.00 24.42 H new ATOM 0 HG11 VAL A 121 -3.263 -6.283 14.756 1.00 15.31 H new ATOM 0 HG12 VAL A 121 -3.082 -4.524 14.550 1.00 15.31 H new ATOM 0 HG13 VAL A 121 -3.628 -5.529 13.186 1.00 15.31 H new ATOM 0 HG21 VAL A 121 -1.669 -7.834 13.766 1.00 52.54 H new ATOM 0 HG22 VAL A 121 -1.880 -7.187 12.122 1.00 52.54 H new ATOM 0 HG23 VAL A 121 -0.259 -7.247 12.853 1.00 52.54 H new ATOM 1794 N MET A 122 -1.105 -4.752 10.237 1.00 10.53 N ATOM 1795 CA MET A 122 -1.624 -4.498 8.917 1.00 41.02 C ATOM 1796 C MET A 122 -2.696 -5.516 8.544 1.00 50.31 C ATOM 1797 O MET A 122 -2.448 -6.718 8.497 1.00 20.12 O ATOM 1798 CB MET A 122 -0.466 -4.461 7.934 1.00 51.04 C ATOM 1799 CG MET A 122 -0.685 -3.599 6.717 1.00 14.22 C ATOM 1800 SD MET A 122 0.818 -3.456 5.735 1.00 41.43 S ATOM 1801 CE MET A 122 0.318 -2.238 4.538 1.00 4.20 C ATOM 0 H MET A 122 -0.137 -5.075 10.249 1.00 10.53 H new ATOM 0 HA MET A 122 -2.120 -3.528 8.888 1.00 41.02 H new ATOM 0 HB2 MET A 122 0.422 -4.105 8.456 1.00 51.04 H new ATOM 0 HB3 MET A 122 -0.256 -5.479 7.606 1.00 51.04 H new ATOM 0 HG2 MET A 122 -1.481 -4.024 6.106 1.00 14.22 H new ATOM 0 HG3 MET A 122 -1.015 -2.607 7.026 1.00 14.22 H new ATOM 0 HE1 MET A 122 0.865 -2.396 3.608 1.00 4.20 H new ATOM 0 HE2 MET A 122 -0.752 -2.330 4.350 1.00 4.20 H new ATOM 0 HE3 MET A 122 0.534 -1.241 4.922 1.00 4.20 H new ATOM 1811 N GLN A 123 -3.877 -5.012 8.275 1.00 63.52 N ATOM 1812 CA GLN A 123 -5.041 -5.829 8.055 1.00 10.34 C ATOM 1813 C GLN A 123 -5.370 -5.886 6.587 1.00 2.23 C ATOM 1814 O GLN A 123 -5.536 -4.858 5.930 1.00 13.51 O ATOM 1815 CB GLN A 123 -6.223 -5.236 8.856 1.00 65.35 C ATOM 1816 CG GLN A 123 -7.580 -5.958 8.746 1.00 0.35 C ATOM 1817 CD GLN A 123 -7.542 -7.410 9.195 1.00 73.23 C ATOM 1818 OE1 GLN A 123 -7.684 -7.703 10.372 1.00 61.44 O ATOM 1819 NE2 GLN A 123 -7.464 -8.328 8.261 1.00 42.03 N ATOM 0 H GLN A 123 -4.056 -4.010 8.202 1.00 63.52 H new ATOM 0 HA GLN A 123 -4.847 -6.847 8.394 1.00 10.34 H new ATOM 0 HB2 GLN A 123 -5.939 -5.209 9.908 1.00 65.35 H new ATOM 0 HB3 GLN A 123 -6.363 -4.203 8.537 1.00 65.35 H new ATOM 0 HG2 GLN A 123 -8.316 -5.422 9.345 1.00 0.35 H new ATOM 0 HG3 GLN A 123 -7.920 -5.916 7.711 1.00 0.35 H new ATOM 0 HE21 GLN A 123 -7.345 -8.054 7.286 1.00 42.03 H new ATOM 0 HE22 GLN A 123 -7.522 -9.315 8.510 1.00 42.03 H new ATOM 1828 N THR A 124 -5.452 -7.083 6.091 1.00 44.20 N ATOM 1829 CA THR A 124 -5.808 -7.317 4.728 1.00 52.23 C ATOM 1830 C THR A 124 -7.320 -7.182 4.591 1.00 44.12 C ATOM 1831 O THR A 124 -8.078 -7.682 5.440 1.00 22.12 O ATOM 1832 CB THR A 124 -5.308 -8.732 4.252 1.00 1.40 C ATOM 1833 OG1 THR A 124 -5.727 -9.017 2.914 1.00 11.24 O ATOM 1834 CG2 THR A 124 -5.768 -9.853 5.183 1.00 63.11 C ATOM 0 H THR A 124 -5.272 -7.932 6.627 1.00 44.20 H new ATOM 0 HA THR A 124 -5.323 -6.580 4.087 1.00 52.23 H new ATOM 0 HB THR A 124 -4.219 -8.691 4.280 1.00 1.40 H new ATOM 0 HG1 THR A 124 -5.812 -9.986 2.797 1.00 11.24 H new ATOM 0 HG21 THR A 124 -5.398 -10.809 4.812 1.00 63.11 H new ATOM 0 HG22 THR A 124 -5.377 -9.677 6.185 1.00 63.11 H new ATOM 0 HG23 THR A 124 -6.857 -9.874 5.217 1.00 63.11 H new ATOM 1842 N GLY A 125 -7.742 -6.433 3.604 1.00 72.25 N ATOM 1843 CA GLY A 125 -9.145 -6.247 3.355 1.00 64.14 C ATOM 1844 C GLY A 125 -9.603 -4.848 3.678 1.00 60.24 C ATOM 1845 O GLY A 125 -10.725 -4.458 3.332 1.00 54.04 O ATOM 0 H GLY A 125 -7.127 -5.940 2.957 1.00 72.25 H new ATOM 0 HA2 GLY A 125 -9.358 -6.464 2.308 1.00 64.14 H new ATOM 0 HA3 GLY A 125 -9.715 -6.960 3.951 1.00 64.14 H new ATOM 1849 N ASP A 126 -8.747 -4.079 4.308 1.00 13.53 N ATOM 1850 CA ASP A 126 -9.112 -2.731 4.716 1.00 22.24 C ATOM 1851 C ASP A 126 -8.270 -1.731 3.923 1.00 61.03 C ATOM 1852 O ASP A 126 -7.311 -2.128 3.226 1.00 11.10 O ATOM 1853 CB ASP A 126 -8.891 -2.551 6.235 1.00 70.01 C ATOM 1854 CG ASP A 126 -9.653 -1.373 6.838 1.00 52.43 C ATOM 1855 OD1 ASP A 126 -10.328 -0.619 6.095 1.00 44.15 O ATOM 1856 OD2 ASP A 126 -9.661 -1.235 8.084 1.00 4.22 O ATOM 0 H ASP A 126 -7.796 -4.356 4.551 1.00 13.53 H new ATOM 0 HA ASP A 126 -10.168 -2.557 4.511 1.00 22.24 H new ATOM 0 HB2 ASP A 126 -9.192 -3.465 6.746 1.00 70.01 H new ATOM 0 HB3 ASP A 126 -7.826 -2.416 6.423 1.00 70.01 H new ATOM 1861 N GLU A 127 -8.607 -0.470 4.013 1.00 32.45 N ATOM 1862 CA GLU A 127 -7.909 0.549 3.282 1.00 31.14 C ATOM 1863 C GLU A 127 -7.097 1.446 4.202 1.00 65.33 C ATOM 1864 O GLU A 127 -7.478 1.723 5.341 1.00 44.40 O ATOM 1865 CB GLU A 127 -8.860 1.384 2.397 1.00 50.10 C ATOM 1866 CG GLU A 127 -10.000 2.073 3.141 1.00 32.03 C ATOM 1867 CD GLU A 127 -10.803 2.992 2.247 1.00 61.25 C ATOM 1868 OE1 GLU A 127 -11.547 2.497 1.358 1.00 41.12 O ATOM 1869 OE2 GLU A 127 -10.734 4.226 2.424 1.00 62.04 O ATOM 0 H GLU A 127 -9.371 -0.124 4.594 1.00 32.45 H new ATOM 0 HA GLU A 127 -7.214 0.034 2.619 1.00 31.14 H new ATOM 0 HB2 GLU A 127 -8.275 2.143 1.878 1.00 50.10 H new ATOM 0 HB3 GLU A 127 -9.286 0.733 1.634 1.00 50.10 H new ATOM 0 HG2 GLU A 127 -10.660 1.318 3.567 1.00 32.03 H new ATOM 0 HG3 GLU A 127 -9.592 2.646 3.974 1.00 32.03 H new ATOM 1876 N ILE A 128 -5.980 1.867 3.712 1.00 13.22 N ATOM 1877 CA ILE A 128 -5.111 2.761 4.395 1.00 42.22 C ATOM 1878 C ILE A 128 -5.231 4.111 3.721 1.00 20.54 C ATOM 1879 O ILE A 128 -5.060 4.233 2.495 1.00 52.32 O ATOM 1880 CB ILE A 128 -3.638 2.272 4.357 1.00 41.25 C ATOM 1881 CG1 ILE A 128 -3.536 0.873 4.988 1.00 32.15 C ATOM 1882 CG2 ILE A 128 -2.721 3.260 5.089 1.00 35.41 C ATOM 1883 CD1 ILE A 128 -2.144 0.282 4.967 1.00 40.51 C ATOM 0 H ILE A 128 -5.636 1.588 2.793 1.00 13.22 H new ATOM 0 HA ILE A 128 -5.396 2.818 5.445 1.00 42.22 H new ATOM 0 HB ILE A 128 -3.314 2.216 3.318 1.00 41.25 H new ATOM 0 HG12 ILE A 128 -3.880 0.927 6.021 1.00 32.15 H new ATOM 0 HG13 ILE A 128 -4.212 0.199 4.462 1.00 32.15 H new ATOM 0 HG21 ILE A 128 -1.693 2.899 5.051 1.00 35.41 H new ATOM 0 HG22 ILE A 128 -2.781 4.236 4.608 1.00 35.41 H new ATOM 0 HG23 ILE A 128 -3.037 3.348 6.129 1.00 35.41 H new ATOM 0 HD11 ILE A 128 -2.160 -0.704 5.431 1.00 40.51 H new ATOM 0 HD12 ILE A 128 -1.802 0.193 3.936 1.00 40.51 H new ATOM 0 HD13 ILE A 128 -1.465 0.931 5.519 1.00 40.51 H new ATOM 1895 N GLN A 129 -5.542 5.092 4.492 1.00 40.31 N ATOM 1896 CA GLN A 129 -5.757 6.411 4.008 1.00 14.02 C ATOM 1897 C GLN A 129 -4.494 7.216 4.204 1.00 2.12 C ATOM 1898 O GLN A 129 -4.053 7.425 5.331 1.00 72.54 O ATOM 1899 CB GLN A 129 -6.891 7.056 4.789 1.00 71.43 C ATOM 1900 CG GLN A 129 -7.238 8.457 4.335 1.00 33.22 C ATOM 1901 CD GLN A 129 -7.887 8.486 2.971 1.00 71.15 C ATOM 1902 OE1 GLN A 129 -8.581 7.560 2.587 1.00 73.41 O ATOM 1903 NE2 GLN A 129 -7.691 9.548 2.255 1.00 34.24 N ATOM 0 H GLN A 129 -5.657 4.998 5.501 1.00 40.31 H new ATOM 0 HA GLN A 129 -6.017 6.380 2.950 1.00 14.02 H new ATOM 0 HB2 GLN A 129 -7.778 6.429 4.705 1.00 71.43 H new ATOM 0 HB3 GLN A 129 -6.620 7.085 5.844 1.00 71.43 H new ATOM 0 HG2 GLN A 129 -7.910 8.914 5.062 1.00 33.22 H new ATOM 0 HG3 GLN A 129 -6.332 9.062 4.314 1.00 33.22 H new ATOM 0 HE21 GLN A 129 -7.103 10.302 2.611 1.00 34.24 H new ATOM 0 HE22 GLN A 129 -8.124 9.630 1.335 1.00 34.24 H new ATOM 1912 N ILE A 130 -3.915 7.644 3.142 1.00 72.41 N ATOM 1913 CA ILE A 130 -2.741 8.451 3.216 1.00 4.43 C ATOM 1914 C ILE A 130 -3.036 9.826 2.661 1.00 42.11 C ATOM 1915 O ILE A 130 -3.061 10.055 1.442 1.00 43.32 O ATOM 1916 CB ILE A 130 -1.501 7.766 2.559 1.00 21.21 C ATOM 1917 CG1 ILE A 130 -1.870 7.097 1.213 1.00 15.43 C ATOM 1918 CG2 ILE A 130 -0.884 6.754 3.520 1.00 53.44 C ATOM 1919 CD1 ILE A 130 -0.723 6.349 0.550 1.00 44.12 C ATOM 0 H ILE A 130 -4.237 7.448 2.194 1.00 72.41 H new ATOM 0 HA ILE A 130 -2.462 8.569 4.263 1.00 4.43 H new ATOM 0 HB ILE A 130 -0.762 8.539 2.346 1.00 21.21 H new ATOM 0 HG12 ILE A 130 -2.693 6.402 1.380 1.00 15.43 H new ATOM 0 HG13 ILE A 130 -2.233 7.863 0.528 1.00 15.43 H new ATOM 0 HG21 ILE A 130 -0.021 6.284 3.049 1.00 53.44 H new ATOM 0 HG22 ILE A 130 -0.568 7.263 4.431 1.00 53.44 H new ATOM 0 HG23 ILE A 130 -1.622 5.991 3.768 1.00 53.44 H new ATOM 0 HD11 ILE A 130 -1.068 5.911 -0.387 1.00 44.12 H new ATOM 0 HD12 ILE A 130 0.094 7.041 0.348 1.00 44.12 H new ATOM 0 HD13 ILE A 130 -0.373 5.558 1.213 1.00 44.12 H new ATOM 1931 N GLY A 131 -3.311 10.731 3.570 1.00 2.52 N ATOM 1932 CA GLY A 131 -3.701 12.058 3.210 1.00 43.51 C ATOM 1933 C GLY A 131 -5.076 12.076 2.567 1.00 14.33 C ATOM 1934 O GLY A 131 -6.084 11.696 3.196 1.00 73.01 O ATOM 0 H GLY A 131 -3.269 10.561 4.575 1.00 2.52 H new ATOM 0 HA2 GLY A 131 -3.704 12.691 4.097 1.00 43.51 H new ATOM 0 HA3 GLY A 131 -2.970 12.479 2.520 1.00 43.51 H new ATOM 1938 N LYS A 132 -5.112 12.481 1.316 1.00 10.43 N ATOM 1939 CA LYS A 132 -6.343 12.553 0.545 1.00 31.21 C ATOM 1940 C LYS A 132 -6.548 11.268 -0.264 1.00 15.14 C ATOM 1941 O LYS A 132 -7.675 10.895 -0.597 1.00 40.34 O ATOM 1942 CB LYS A 132 -6.303 13.799 -0.380 1.00 43.41 C ATOM 1943 CG LYS A 132 -7.428 13.904 -1.431 1.00 12.13 C ATOM 1944 CD LYS A 132 -8.839 13.958 -0.832 1.00 12.24 C ATOM 1945 CE LYS A 132 -9.098 15.223 -0.032 1.00 54.20 C ATOM 1946 NZ LYS A 132 -10.498 15.282 0.445 1.00 34.40 N ATOM 0 H LYS A 132 -4.283 12.773 0.798 1.00 10.43 H new ATOM 0 HA LYS A 132 -7.189 12.651 1.225 1.00 31.21 H new ATOM 0 HB2 LYS A 132 -6.334 14.691 0.246 1.00 43.41 H new ATOM 0 HB3 LYS A 132 -5.346 13.808 -0.901 1.00 43.41 H new ATOM 0 HG2 LYS A 132 -7.266 14.798 -2.034 1.00 12.13 H new ATOM 0 HG3 LYS A 132 -7.363 13.049 -2.104 1.00 12.13 H new ATOM 0 HD2 LYS A 132 -9.572 13.887 -1.636 1.00 12.24 H new ATOM 0 HD3 LYS A 132 -8.987 13.091 -0.188 1.00 12.24 H new ATOM 0 HE2 LYS A 132 -8.420 15.262 0.820 1.00 54.20 H new ATOM 0 HE3 LYS A 132 -8.885 16.096 -0.649 1.00 54.20 H new ATOM 0 HZ1 LYS A 132 -10.643 16.157 0.988 1.00 34.40 H new ATOM 0 HZ2 LYS A 132 -11.143 15.269 -0.370 1.00 34.40 H new ATOM 0 HZ3 LYS A 132 -10.692 14.461 1.053 1.00 34.40 H new ATOM 1960 N PHE A 133 -5.483 10.566 -0.506 1.00 73.43 N ATOM 1961 CA PHE A 133 -5.528 9.396 -1.347 1.00 4.12 C ATOM 1962 C PHE A 133 -5.540 8.110 -0.538 1.00 30.31 C ATOM 1963 O PHE A 133 -5.177 8.107 0.637 1.00 53.14 O ATOM 1964 CB PHE A 133 -4.433 9.441 -2.431 1.00 21.11 C ATOM 1965 CG PHE A 133 -3.052 9.851 -1.969 1.00 5.53 C ATOM 1966 CD1 PHE A 133 -2.761 11.187 -1.704 1.00 31.42 C ATOM 1967 CD2 PHE A 133 -2.050 8.922 -1.820 1.00 32.43 C ATOM 1968 CE1 PHE A 133 -1.506 11.572 -1.295 1.00 52.04 C ATOM 1969 CE2 PHE A 133 -0.785 9.309 -1.414 1.00 53.13 C ATOM 1970 CZ PHE A 133 -0.516 10.633 -1.151 1.00 41.14 C ATOM 0 H PHE A 133 -4.559 10.782 -0.131 1.00 73.43 H new ATOM 0 HA PHE A 133 -6.478 9.403 -1.881 1.00 4.12 H new ATOM 0 HB2 PHE A 133 -4.362 8.454 -2.888 1.00 21.11 H new ATOM 0 HB3 PHE A 133 -4.752 10.131 -3.212 1.00 21.11 H new ATOM 0 HD1 PHE A 133 -3.533 11.933 -1.822 1.00 31.42 H new ATOM 0 HD2 PHE A 133 -2.252 7.880 -2.022 1.00 32.43 H new ATOM 0 HE1 PHE A 133 -1.300 12.612 -1.087 1.00 52.04 H new ATOM 0 HE2 PHE A 133 -0.006 8.569 -1.303 1.00 53.13 H new ATOM 0 HZ PHE A 133 0.472 10.932 -0.832 1.00 41.14 H new ATOM 1980 N ARG A 134 -5.958 7.019 -1.152 1.00 75.54 N ATOM 1981 CA ARG A 134 -6.142 5.787 -0.404 1.00 5.24 C ATOM 1982 C ARG A 134 -5.625 4.565 -1.124 1.00 2.21 C ATOM 1983 O ARG A 134 -5.728 4.435 -2.358 1.00 74.10 O ATOM 1984 CB ARG A 134 -7.605 5.592 0.012 1.00 63.42 C ATOM 1985 CG ARG A 134 -8.600 5.680 -1.132 1.00 70.22 C ATOM 1986 CD ARG A 134 -10.019 5.427 -0.655 1.00 14.10 C ATOM 1987 NE ARG A 134 -10.402 6.304 0.463 1.00 52.34 N ATOM 1988 CZ ARG A 134 -11.093 7.454 0.362 1.00 22.13 C ATOM 1989 NH1 ARG A 134 -11.374 7.968 -0.834 1.00 42.30 N ATOM 1990 NH2 ARG A 134 -11.466 8.109 1.460 1.00 3.04 N ATOM 0 H ARG A 134 -6.173 6.958 -2.147 1.00 75.54 H new ATOM 0 HA ARG A 134 -5.536 5.898 0.496 1.00 5.24 H new ATOM 0 HB2 ARG A 134 -7.707 4.619 0.492 1.00 63.42 H new ATOM 0 HB3 ARG A 134 -7.861 6.344 0.759 1.00 63.42 H new ATOM 0 HG2 ARG A 134 -8.540 6.666 -1.593 1.00 70.22 H new ATOM 0 HG3 ARG A 134 -8.338 4.953 -1.900 1.00 70.22 H new ATOM 0 HD2 ARG A 134 -10.710 5.578 -1.484 1.00 14.10 H new ATOM 0 HD3 ARG A 134 -10.115 4.386 -0.346 1.00 14.10 H new ATOM 0 HE ARG A 134 -10.118 6.014 1.399 1.00 52.34 H new ATOM 0 HH11 ARG A 134 -11.065 7.489 -1.680 1.00 42.30 H new ATOM 0 HH12 ARG A 134 -11.898 8.840 -0.904 1.00 42.30 H new ATOM 0 HH21 ARG A 134 -11.228 7.739 2.380 1.00 3.04 H new ATOM 0 HH22 ARG A 134 -11.990 8.981 1.381 1.00 3.04 H new ATOM 2004 N LEU A 135 -5.103 3.674 -0.341 1.00 32.14 N ATOM 2005 CA LEU A 135 -4.532 2.440 -0.783 1.00 3.23 C ATOM 2006 C LEU A 135 -5.291 1.324 -0.080 1.00 14.23 C ATOM 2007 O LEU A 135 -5.600 1.442 1.079 1.00 61.33 O ATOM 2008 CB LEU A 135 -3.017 2.467 -0.407 1.00 54.11 C ATOM 2009 CG LEU A 135 -2.111 1.268 -0.772 1.00 52.54 C ATOM 2010 CD1 LEU A 135 -0.659 1.708 -0.699 1.00 75.12 C ATOM 2011 CD2 LEU A 135 -2.304 0.105 0.198 1.00 34.40 C ATOM 0 H LEU A 135 -5.061 3.793 0.671 1.00 32.14 H new ATOM 0 HA LEU A 135 -4.609 2.284 -1.859 1.00 3.23 H new ATOM 0 HB2 LEU A 135 -2.584 3.354 -0.869 1.00 54.11 H new ATOM 0 HB3 LEU A 135 -2.953 2.606 0.672 1.00 54.11 H new ATOM 0 HG LEU A 135 -2.377 0.937 -1.776 1.00 52.54 H new ATOM 0 HD11 LEU A 135 -0.011 0.869 -0.955 1.00 75.12 H new ATOM 0 HD12 LEU A 135 -0.490 2.524 -1.402 1.00 75.12 H new ATOM 0 HD13 LEU A 135 -0.432 2.047 0.312 1.00 75.12 H new ATOM 0 HD21 LEU A 135 -1.652 -0.720 -0.089 1.00 34.40 H new ATOM 0 HD22 LEU A 135 -2.056 0.429 1.209 1.00 34.40 H new ATOM 0 HD23 LEU A 135 -3.342 -0.226 0.168 1.00 34.40 H new ATOM 2023 N VAL A 136 -5.599 0.275 -0.770 1.00 24.32 N ATOM 2024 CA VAL A 136 -6.307 -0.843 -0.191 1.00 50.55 C ATOM 2025 C VAL A 136 -5.306 -1.959 -0.037 1.00 44.44 C ATOM 2026 O VAL A 136 -4.552 -2.258 -0.979 1.00 5.34 O ATOM 2027 CB VAL A 136 -7.478 -1.319 -1.096 1.00 24.41 C ATOM 2028 CG1 VAL A 136 -8.311 -2.393 -0.403 1.00 61.23 C ATOM 2029 CG2 VAL A 136 -8.352 -0.148 -1.517 1.00 53.43 C ATOM 0 H VAL A 136 -5.370 0.159 -1.757 1.00 24.32 H new ATOM 0 HA VAL A 136 -6.742 -0.547 0.764 1.00 50.55 H new ATOM 0 HB VAL A 136 -7.044 -1.759 -1.994 1.00 24.41 H new ATOM 0 HG11 VAL A 136 -9.122 -2.705 -1.061 1.00 61.23 H new ATOM 0 HG12 VAL A 136 -7.679 -3.251 -0.173 1.00 61.23 H new ATOM 0 HG13 VAL A 136 -8.728 -1.991 0.521 1.00 61.23 H new ATOM 0 HG21 VAL A 136 -9.163 -0.508 -2.149 1.00 53.43 H new ATOM 0 HG22 VAL A 136 -8.768 0.332 -0.631 1.00 53.43 H new ATOM 0 HG23 VAL A 136 -7.752 0.573 -2.073 1.00 53.43 H new ATOM 2039 N PHE A 137 -5.257 -2.539 1.126 1.00 20.40 N ATOM 2040 CA PHE A 137 -4.270 -3.531 1.411 1.00 74.34 C ATOM 2041 C PHE A 137 -4.846 -4.923 1.399 1.00 71.43 C ATOM 2042 O PHE A 137 -5.854 -5.200 2.062 1.00 15.44 O ATOM 2043 CB PHE A 137 -3.603 -3.258 2.759 1.00 14.05 C ATOM 2044 CG PHE A 137 -2.561 -4.275 3.113 1.00 61.45 C ATOM 2045 CD1 PHE A 137 -1.352 -4.279 2.462 1.00 30.53 C ATOM 2046 CD2 PHE A 137 -2.801 -5.241 4.081 1.00 5.23 C ATOM 2047 CE1 PHE A 137 -0.396 -5.210 2.765 1.00 11.21 C ATOM 2048 CE2 PHE A 137 -1.849 -6.186 4.387 1.00 24.11 C ATOM 2049 CZ PHE A 137 -0.639 -6.170 3.730 1.00 63.31 C ATOM 0 H PHE A 137 -5.895 -2.338 1.896 1.00 20.40 H new ATOM 0 HA PHE A 137 -3.523 -3.471 0.620 1.00 74.34 H new ATOM 0 HB2 PHE A 137 -3.145 -2.269 2.738 1.00 14.05 H new ATOM 0 HB3 PHE A 137 -4.365 -3.240 3.538 1.00 14.05 H new ATOM 0 HD1 PHE A 137 -1.153 -3.538 1.702 1.00 30.53 H new ATOM 0 HD2 PHE A 137 -3.748 -5.251 4.601 1.00 5.23 H new ATOM 0 HE1 PHE A 137 0.552 -5.195 2.248 1.00 11.21 H new ATOM 0 HE2 PHE A 137 -2.050 -6.936 5.138 1.00 24.11 H new ATOM 0 HZ PHE A 137 0.117 -6.904 3.967 1.00 63.31 H new ATOM 2059 N LEU A 138 -4.214 -5.785 0.650 1.00 54.21 N ATOM 2060 CA LEU A 138 -4.549 -7.177 0.623 1.00 63.01 C ATOM 2061 C LEU A 138 -3.280 -7.974 0.849 1.00 2.04 C ATOM 2062 O LEU A 138 -2.169 -7.497 0.550 1.00 41.45 O ATOM 2063 CB LEU A 138 -5.208 -7.622 -0.711 1.00 73.43 C ATOM 2064 CG LEU A 138 -6.624 -7.106 -1.067 1.00 14.33 C ATOM 2065 CD1 LEU A 138 -7.636 -7.410 0.026 1.00 41.43 C ATOM 2066 CD2 LEU A 138 -6.633 -5.634 -1.448 1.00 63.24 C ATOM 0 H LEU A 138 -3.441 -5.533 0.034 1.00 54.21 H new ATOM 0 HA LEU A 138 -5.284 -7.358 1.408 1.00 63.01 H new ATOM 0 HB2 LEU A 138 -4.540 -7.328 -1.520 1.00 73.43 H new ATOM 0 HB3 LEU A 138 -5.247 -8.711 -0.709 1.00 73.43 H new ATOM 0 HG LEU A 138 -6.933 -7.659 -1.954 1.00 14.33 H new ATOM 0 HD11 LEU A 138 -8.614 -7.030 -0.268 1.00 41.43 H new ATOM 0 HD12 LEU A 138 -7.696 -8.488 0.177 1.00 41.43 H new ATOM 0 HD13 LEU A 138 -7.324 -6.931 0.954 1.00 41.43 H new ATOM 0 HD21 LEU A 138 -7.651 -5.326 -1.688 1.00 63.24 H new ATOM 0 HD22 LEU A 138 -6.261 -5.040 -0.613 1.00 63.24 H new ATOM 0 HD23 LEU A 138 -5.993 -5.479 -2.317 1.00 63.24 H new ATOM 2078 N ALA A 139 -3.429 -9.141 1.424 1.00 43.52 N ATOM 2079 CA ALA A 139 -2.330 -10.052 1.618 1.00 32.51 C ATOM 2080 C ALA A 139 -1.788 -10.463 0.263 1.00 20.54 C ATOM 2081 O ALA A 139 -2.538 -10.512 -0.720 1.00 2.21 O ATOM 2082 CB ALA A 139 -2.777 -11.270 2.417 1.00 40.31 C ATOM 0 H ALA A 139 -4.323 -9.488 1.773 1.00 43.52 H new ATOM 0 HA ALA A 139 -1.542 -9.558 2.186 1.00 32.51 H new ATOM 0 HB1 ALA A 139 -1.933 -11.946 2.553 1.00 40.31 H new ATOM 0 HB2 ALA A 139 -3.146 -10.950 3.391 1.00 40.31 H new ATOM 0 HB3 ALA A 139 -3.572 -11.786 1.879 1.00 40.31 H new ATOM 2088 N GLY A 140 -0.511 -10.744 0.207 1.00 35.35 N ATOM 2089 CA GLY A 140 0.121 -11.050 -1.043 1.00 14.51 C ATOM 2090 C GLY A 140 -0.307 -12.369 -1.621 1.00 54.31 C ATOM 2091 O GLY A 140 -0.969 -13.170 -0.933 1.00 35.11 O ATOM 0 H GLY A 140 0.109 -10.766 1.016 1.00 35.35 H new ATOM 0 HA2 GLY A 140 -0.103 -10.259 -1.758 1.00 14.51 H new ATOM 0 HA3 GLY A 140 1.202 -11.057 -0.903 1.00 14.51 H new ATOM 2095 N PRO A 141 0.063 -12.627 -2.879 1.00 41.32 N ATOM 2096 CA PRO A 141 -0.279 -13.862 -3.576 1.00 55.14 C ATOM 2097 C PRO A 141 0.172 -15.089 -2.801 1.00 64.34 C ATOM 2098 O PRO A 141 1.258 -15.097 -2.201 1.00 74.02 O ATOM 2099 CB PRO A 141 0.500 -13.763 -4.893 1.00 52.03 C ATOM 2100 CG PRO A 141 1.495 -12.682 -4.689 1.00 54.34 C ATOM 2101 CD PRO A 141 0.867 -11.736 -3.729 1.00 34.11 C ATOM 0 HA PRO A 141 -1.355 -13.970 -3.709 1.00 55.14 H new ATOM 0 HB2 PRO A 141 0.990 -14.707 -5.130 1.00 52.03 H new ATOM 0 HB3 PRO A 141 -0.165 -13.531 -5.725 1.00 52.03 H new ATOM 0 HG2 PRO A 141 2.430 -13.079 -4.293 1.00 54.34 H new ATOM 0 HG3 PRO A 141 1.733 -12.186 -5.630 1.00 54.34 H new ATOM 0 HD2 PRO A 141 1.613 -11.190 -3.152 1.00 34.11 H new ATOM 0 HD3 PRO A 141 0.250 -10.994 -4.236 1.00 34.11 H new