USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 460 hydrogens (2 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 128 LYS NZ :NH3+ -151:sc= 2.41 (180deg=0.48) USER MOD Set 1.2: A 129 GLN : amide:sc= 1.42 K(o=3.8,f=-6.7!) USER MOD Set 2.1: A 109 LYS NZ :NH3+ -161:sc= 0.864 (180deg=0) USER MOD Set 2.2: A 110 TYR OH : rot -150:sc= 0.771 USER MOD Set 2.3: A 121 HIS : no HE2:sc= -0.421 X(o=1.2,f=1.1) USER MOD Set 3.1: A 97 LYS NZ :NH3+ 175:sc= 1 (180deg=-0.0934) USER MOD Set 3.2: A 101 GLN : amide:sc= 0.704 K(o=1.7,f=-6.2!) USER MOD Single : A 92 LYS NZ :NH3+ -178:sc= 2.28 (180deg=2.25) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.228 USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 CYS SG : rot -170:sc= 0 USER MOD Single : A 135 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 136 ASN : amide:sc= 0.774 K(o=0.77,f=-0.18) USER MOD Single : A 137 HIS : no HD1:sc= -0.157 X(o=-0.16,f=-0.16) USER MOD Single : A 139 ASN : amide:sc= 0.244 X(o=0.24,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 90 10.624 -1.056 -3.072 1.00 0.00 N ATOM 2 CA LEU A 90 12.022 -0.783 -3.446 1.00 0.00 C ATOM 3 C LEU A 90 12.407 -1.619 -4.666 1.00 0.00 C ATOM 4 O LEU A 90 11.713 -2.580 -4.991 1.00 0.00 O ATOM 5 CB LEU A 90 12.976 -1.045 -2.264 1.00 0.00 C ATOM 6 CG LEU A 90 12.814 -2.479 -1.718 1.00 0.00 C ATOM 7 CD1 LEU A 90 14.170 -2.989 -1.221 1.00 0.00 C ATOM 8 CD2 LEU A 90 11.823 -2.492 -0.545 1.00 0.00 C ATOM 0 HA LEU A 90 12.114 0.272 -3.706 1.00 0.00 H new ATOM 0 HB2 LEU A 90 14.006 -0.890 -2.585 1.00 0.00 H new ATOM 0 HB3 LEU A 90 12.778 -0.327 -1.469 1.00 0.00 H new ATOM 0 HG LEU A 90 12.439 -3.119 -2.517 1.00 0.00 H new ATOM 0 HD11 LEU A 90 14.058 -4.002 -0.835 1.00 0.00 H new ATOM 0 HD12 LEU A 90 14.882 -2.992 -2.046 1.00 0.00 H new ATOM 0 HD13 LEU A 90 14.536 -2.337 -0.428 1.00 0.00 H new ATOM 0 HD21 LEU A 90 11.718 -3.510 -0.169 1.00 0.00 H new ATOM 0 HD22 LEU A 90 12.194 -1.847 0.252 1.00 0.00 H new ATOM 0 HD23 LEU A 90 10.853 -2.128 -0.884 1.00 0.00 H new ATOM 22 N ILE A 91 13.510 -1.237 -5.335 1.00 0.00 N ATOM 23 CA ILE A 91 13.995 -1.912 -6.545 1.00 0.00 C ATOM 24 C ILE A 91 13.023 -1.658 -7.705 1.00 0.00 C ATOM 25 O ILE A 91 11.861 -1.314 -7.488 1.00 0.00 O ATOM 26 CB ILE A 91 14.180 -3.431 -6.297 1.00 0.00 C ATOM 27 CG1 ILE A 91 14.935 -3.687 -4.977 1.00 0.00 C ATOM 28 CG2 ILE A 91 14.960 -4.056 -7.462 1.00 0.00 C ATOM 29 CD1 ILE A 91 16.276 -2.945 -4.956 1.00 0.00 C ATOM 0 H ILE A 91 14.090 -0.448 -5.048 1.00 0.00 H new ATOM 0 HA ILE A 91 14.970 -1.503 -6.809 1.00 0.00 H new ATOM 0 HB ILE A 91 13.193 -3.888 -6.226 1.00 0.00 H new ATOM 0 HG12 ILE A 91 14.323 -3.362 -4.135 1.00 0.00 H new ATOM 0 HG13 ILE A 91 15.106 -4.756 -4.853 1.00 0.00 H new ATOM 0 HG21 ILE A 91 15.088 -5.124 -7.283 1.00 0.00 H new ATOM 0 HG22 ILE A 91 14.409 -3.907 -8.390 1.00 0.00 H new ATOM 0 HG23 ILE A 91 15.938 -3.582 -7.541 1.00 0.00 H new ATOM 0 HD11 ILE A 91 16.787 -3.143 -4.014 1.00 0.00 H new ATOM 0 HD12 ILE A 91 16.895 -3.289 -5.784 1.00 0.00 H new ATOM 0 HD13 ILE A 91 16.101 -1.874 -5.055 1.00 0.00 H new ATOM 41 N LYS A 92 13.509 -1.827 -8.942 1.00 0.00 N ATOM 42 CA LYS A 92 12.690 -1.628 -10.130 1.00 0.00 C ATOM 43 C LYS A 92 11.811 -2.864 -10.367 1.00 0.00 C ATOM 44 O LYS A 92 11.597 -3.663 -9.455 1.00 0.00 O ATOM 45 CB LYS A 92 13.604 -1.342 -11.335 1.00 0.00 C ATOM 46 CG LYS A 92 14.437 -2.584 -11.695 1.00 0.00 C ATOM 47 CD LYS A 92 15.203 -2.336 -12.997 1.00 0.00 C ATOM 48 CE LYS A 92 16.423 -1.453 -12.727 1.00 0.00 C ATOM 49 NZ LYS A 92 17.283 -1.360 -13.917 1.00 0.00 N ATOM 0 H LYS A 92 14.471 -2.103 -9.139 1.00 0.00 H new ATOM 0 HA LYS A 92 12.029 -0.772 -9.992 1.00 0.00 H new ATOM 0 HB2 LYS A 92 13.001 -1.042 -12.192 1.00 0.00 H new ATOM 0 HB3 LYS A 92 14.267 -0.508 -11.105 1.00 0.00 H new ATOM 0 HG2 LYS A 92 15.135 -2.811 -10.889 1.00 0.00 H new ATOM 0 HG3 LYS A 92 13.785 -3.451 -11.805 1.00 0.00 H new ATOM 0 HD2 LYS A 92 15.520 -3.285 -13.429 1.00 0.00 H new ATOM 0 HD3 LYS A 92 14.551 -1.856 -13.726 1.00 0.00 H new ATOM 0 HE2 LYS A 92 16.096 -0.456 -12.432 1.00 0.00 H new ATOM 0 HE3 LYS A 92 16.994 -1.861 -11.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 18.120 -0.783 -13.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 17.585 -2.313 -14.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 16.753 -0.917 -14.695 1.00 0.00 H new ATOM 63 N GLY A 93 11.308 -3.020 -11.600 1.00 0.00 N ATOM 64 CA GLY A 93 10.471 -4.154 -11.960 1.00 0.00 C ATOM 65 C GLY A 93 11.287 -5.454 -11.955 1.00 0.00 C ATOM 66 O GLY A 93 12.457 -5.461 -11.563 1.00 0.00 O ATOM 0 H GLY A 93 11.473 -2.365 -12.364 1.00 0.00 H new ATOM 0 HA2 GLY A 93 9.641 -4.237 -11.258 1.00 0.00 H new ATOM 0 HA3 GLY A 93 10.038 -3.994 -12.948 1.00 0.00 H new ATOM 70 N PRO A 94 10.666 -6.563 -12.390 1.00 0.00 N ATOM 71 CA PRO A 94 11.309 -7.860 -12.422 1.00 0.00 C ATOM 72 C PRO A 94 12.505 -7.866 -13.378 1.00 0.00 C ATOM 73 O PRO A 94 12.626 -7.001 -14.246 1.00 0.00 O ATOM 74 CB PRO A 94 10.232 -8.850 -12.880 1.00 0.00 C ATOM 75 CG PRO A 94 8.973 -8.030 -13.192 1.00 0.00 C ATOM 76 CD PRO A 94 9.297 -6.574 -12.858 1.00 0.00 C ATOM 0 HA PRO A 94 11.706 -8.127 -11.443 1.00 0.00 H new ATOM 0 HB2 PRO A 94 10.563 -9.399 -13.761 1.00 0.00 H new ATOM 0 HB3 PRO A 94 10.030 -9.587 -12.103 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.695 -8.133 -14.241 1.00 0.00 H new ATOM 0 HG3 PRO A 94 8.127 -8.382 -12.602 1.00 0.00 H new ATOM 0 HD2 PRO A 94 9.180 -5.938 -13.735 1.00 0.00 H new ATOM 0 HD3 PRO A 94 8.621 -6.190 -12.094 1.00 0.00 H new ATOM 84 N TRP A 95 13.385 -8.858 -13.205 1.00 0.00 N ATOM 85 CA TRP A 95 14.564 -9.023 -14.044 1.00 0.00 C ATOM 86 C TRP A 95 14.156 -9.326 -15.484 1.00 0.00 C ATOM 87 O TRP A 95 13.082 -9.878 -15.726 1.00 0.00 O ATOM 88 CB TRP A 95 15.417 -10.163 -13.483 1.00 0.00 C ATOM 89 CG TRP A 95 16.299 -9.768 -12.347 1.00 0.00 C ATOM 90 CD1 TRP A 95 15.946 -9.724 -11.051 1.00 0.00 C ATOM 91 CD2 TRP A 95 17.689 -9.341 -12.383 1.00 0.00 C ATOM 92 NE1 TRP A 95 16.993 -9.298 -10.271 1.00 0.00 N ATOM 93 CE2 TRP A 95 18.107 -9.038 -11.048 1.00 0.00 C ATOM 94 CE3 TRP A 95 18.646 -9.169 -13.406 1.00 0.00 C ATOM 95 CZ2 TRP A 95 19.392 -8.580 -10.753 1.00 0.00 C ATOM 96 CZ3 TRP A 95 19.940 -8.706 -13.115 1.00 0.00 C ATOM 97 CH2 TRP A 95 20.312 -8.406 -11.791 1.00 0.00 C ATOM 0 H TRP A 95 13.295 -9.567 -12.477 1.00 0.00 H new ATOM 0 HA TRP A 95 15.142 -8.099 -14.044 1.00 0.00 H new ATOM 0 HB2 TRP A 95 14.758 -10.966 -13.154 1.00 0.00 H new ATOM 0 HB3 TRP A 95 16.036 -10.567 -14.285 1.00 0.00 H new ATOM 0 HD1 TRP A 95 14.969 -9.988 -10.673 1.00 0.00 H new ATOM 0 HE1 TRP A 95 16.954 -9.188 -9.258 1.00 0.00 H new ATOM 0 HE3 TRP A 95 18.380 -9.397 -14.428 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 19.673 -8.362 -9.733 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 20.656 -8.579 -13.914 1.00 0.00 H new ATOM 0 HH2 TRP A 95 21.306 -8.042 -11.578 1.00 0.00 H new ATOM 108 N THR A 96 15.028 -8.964 -16.438 1.00 0.00 N ATOM 109 CA THR A 96 14.786 -9.200 -17.856 1.00 0.00 C ATOM 110 C THR A 96 15.978 -9.947 -18.452 1.00 0.00 C ATOM 111 O THR A 96 17.034 -10.033 -17.825 1.00 0.00 O ATOM 112 CB THR A 96 14.569 -7.858 -18.581 1.00 0.00 C ATOM 113 OG1 THR A 96 15.816 -7.253 -18.854 1.00 0.00 O ATOM 114 CG2 THR A 96 13.729 -6.916 -17.713 1.00 0.00 C ATOM 0 H THR A 96 15.916 -8.501 -16.241 1.00 0.00 H new ATOM 0 HA THR A 96 13.889 -9.806 -17.981 1.00 0.00 H new ATOM 0 HB THR A 96 14.042 -8.049 -19.516 1.00 0.00 H new ATOM 0 HG1 THR A 96 15.672 -6.401 -19.316 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.583 -5.971 -18.237 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.760 -7.373 -17.513 1.00 0.00 H new ATOM 0 HG23 THR A 96 14.245 -6.732 -16.771 1.00 0.00 H new ATOM 122 N LYS A 97 15.810 -10.482 -19.667 1.00 0.00 N ATOM 123 CA LYS A 97 16.878 -11.203 -20.345 1.00 0.00 C ATOM 124 C LYS A 97 18.060 -10.261 -20.582 1.00 0.00 C ATOM 125 O LYS A 97 19.207 -10.654 -20.405 1.00 0.00 O ATOM 126 CB LYS A 97 16.343 -11.770 -21.673 1.00 0.00 C ATOM 127 CG LYS A 97 17.477 -12.411 -22.496 1.00 0.00 C ATOM 128 CD LYS A 97 17.946 -13.723 -21.840 1.00 0.00 C ATOM 129 CE LYS A 97 19.479 -13.765 -21.777 1.00 0.00 C ATOM 130 NZ LYS A 97 20.077 -13.683 -23.124 1.00 0.00 N ATOM 0 H LYS A 97 14.940 -10.426 -20.197 1.00 0.00 H new ATOM 0 HA LYS A 97 17.223 -12.033 -19.728 1.00 0.00 H new ATOM 0 HB2 LYS A 97 15.571 -12.512 -21.471 1.00 0.00 H new ATOM 0 HB3 LYS A 97 15.875 -10.973 -22.251 1.00 0.00 H new ATOM 0 HG2 LYS A 97 17.131 -12.609 -23.511 1.00 0.00 H new ATOM 0 HG3 LYS A 97 18.314 -11.717 -22.574 1.00 0.00 H new ATOM 0 HD2 LYS A 97 17.531 -13.805 -20.835 1.00 0.00 H new ATOM 0 HD3 LYS A 97 17.575 -14.576 -22.409 1.00 0.00 H new ATOM 0 HE2 LYS A 97 19.842 -12.939 -21.165 1.00 0.00 H new ATOM 0 HE3 LYS A 97 19.799 -14.686 -21.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 21.112 -13.629 -23.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 19.817 -14.528 -23.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 19.723 -12.834 -23.610 1.00 0.00 H new ATOM 144 N GLU A 98 17.774 -9.020 -20.986 1.00 0.00 N ATOM 145 CA GLU A 98 18.812 -8.039 -21.256 1.00 0.00 C ATOM 146 C GLU A 98 19.581 -7.727 -19.971 1.00 0.00 C ATOM 147 O GLU A 98 20.808 -7.673 -19.979 1.00 0.00 O ATOM 148 CB GLU A 98 18.168 -6.771 -21.835 1.00 0.00 C ATOM 149 CG GLU A 98 19.253 -5.786 -22.294 1.00 0.00 C ATOM 150 CD GLU A 98 20.130 -6.391 -23.386 1.00 0.00 C ATOM 151 OE1 GLU A 98 19.552 -7.035 -24.289 1.00 0.00 O ATOM 152 OE2 GLU A 98 21.362 -6.199 -23.296 1.00 0.00 O ATOM 0 H GLU A 98 16.825 -8.676 -21.132 1.00 0.00 H new ATOM 0 HA GLU A 98 19.519 -8.437 -21.984 1.00 0.00 H new ATOM 0 HB2 GLU A 98 17.525 -7.032 -22.675 1.00 0.00 H new ATOM 0 HB3 GLU A 98 17.534 -6.301 -21.083 1.00 0.00 H new ATOM 0 HG2 GLU A 98 18.785 -4.874 -22.665 1.00 0.00 H new ATOM 0 HG3 GLU A 98 19.873 -5.503 -21.443 1.00 0.00 H new ATOM 159 N GLU A 99 18.856 -7.525 -18.867 1.00 0.00 N ATOM 160 CA GLU A 99 19.476 -7.217 -17.587 1.00 0.00 C ATOM 161 C GLU A 99 20.344 -8.400 -17.148 1.00 0.00 C ATOM 162 O GLU A 99 21.457 -8.207 -16.662 1.00 0.00 O ATOM 163 CB GLU A 99 18.382 -6.910 -16.559 1.00 0.00 C ATOM 164 CG GLU A 99 18.545 -5.474 -16.061 1.00 0.00 C ATOM 165 CD GLU A 99 17.430 -5.089 -15.102 1.00 0.00 C ATOM 166 OE1 GLU A 99 16.495 -5.910 -14.943 1.00 0.00 O ATOM 167 OE2 GLU A 99 17.533 -3.980 -14.539 1.00 0.00 O ATOM 0 H GLU A 99 17.837 -7.571 -18.840 1.00 0.00 H new ATOM 0 HA GLU A 99 20.117 -6.340 -17.674 1.00 0.00 H new ATOM 0 HB2 GLU A 99 17.398 -7.042 -17.008 1.00 0.00 H new ATOM 0 HB3 GLU A 99 18.447 -7.607 -15.723 1.00 0.00 H new ATOM 0 HG2 GLU A 99 19.508 -5.367 -15.563 1.00 0.00 H new ATOM 0 HG3 GLU A 99 18.548 -4.791 -16.910 1.00 0.00 H new ATOM 174 N ASP A 100 19.840 -9.626 -17.336 1.00 0.00 N ATOM 175 CA ASP A 100 20.598 -10.827 -17.017 1.00 0.00 C ATOM 176 C ASP A 100 21.873 -10.843 -17.861 1.00 0.00 C ATOM 177 O ASP A 100 22.960 -11.095 -17.346 1.00 0.00 O ATOM 178 CB ASP A 100 19.738 -12.074 -17.302 1.00 0.00 C ATOM 179 CG ASP A 100 18.928 -12.505 -16.086 1.00 0.00 C ATOM 180 OD1 ASP A 100 18.922 -11.748 -15.096 1.00 0.00 O ATOM 181 OD2 ASP A 100 18.319 -13.593 -16.169 1.00 0.00 O ATOM 0 H ASP A 100 18.908 -9.805 -17.709 1.00 0.00 H new ATOM 0 HA ASP A 100 20.868 -10.833 -15.961 1.00 0.00 H new ATOM 0 HB2 ASP A 100 19.062 -11.865 -18.131 1.00 0.00 H new ATOM 0 HB3 ASP A 100 20.383 -12.894 -17.616 1.00 0.00 H new ATOM 186 N GLN A 101 21.732 -10.563 -19.163 1.00 0.00 N ATOM 187 CA GLN A 101 22.860 -10.523 -20.079 1.00 0.00 C ATOM 188 C GLN A 101 23.884 -9.491 -19.602 1.00 0.00 C ATOM 189 O GLN A 101 25.086 -9.716 -19.716 1.00 0.00 O ATOM 190 CB GLN A 101 22.357 -10.188 -21.491 1.00 0.00 C ATOM 191 CG GLN A 101 23.422 -10.551 -22.532 1.00 0.00 C ATOM 192 CD GLN A 101 23.635 -12.061 -22.596 1.00 0.00 C ATOM 193 OE1 GLN A 101 22.711 -12.808 -22.921 1.00 0.00 O ATOM 194 NE2 GLN A 101 24.850 -12.511 -22.285 1.00 0.00 N ATOM 0 H GLN A 101 20.834 -10.360 -19.601 1.00 0.00 H new ATOM 0 HA GLN A 101 23.349 -11.497 -20.104 1.00 0.00 H new ATOM 0 HB2 GLN A 101 21.436 -10.734 -21.696 1.00 0.00 H new ATOM 0 HB3 GLN A 101 22.119 -9.126 -21.558 1.00 0.00 H new ATOM 0 HG2 GLN A 101 23.118 -10.182 -23.512 1.00 0.00 H new ATOM 0 HG3 GLN A 101 24.362 -10.058 -22.283 1.00 0.00 H new ATOM 0 HE21 GLN A 101 25.585 -11.855 -22.021 1.00 0.00 H new ATOM 0 HE22 GLN A 101 25.045 -13.512 -22.311 1.00 0.00 H new ATOM 203 N ARG A 102 23.406 -8.363 -19.061 1.00 0.00 N ATOM 204 CA ARG A 102 24.284 -7.323 -18.553 1.00 0.00 C ATOM 205 C ARG A 102 25.139 -7.885 -17.414 1.00 0.00 C ATOM 206 O ARG A 102 26.352 -7.707 -17.409 1.00 0.00 O ATOM 207 CB ARG A 102 23.444 -6.130 -18.074 1.00 0.00 C ATOM 208 CG ARG A 102 24.346 -4.916 -17.832 1.00 0.00 C ATOM 209 CD ARG A 102 24.528 -4.127 -19.133 1.00 0.00 C ATOM 210 NE ARG A 102 25.679 -3.218 -19.043 1.00 0.00 N ATOM 211 CZ ARG A 102 25.688 -2.106 -18.282 1.00 0.00 C ATOM 212 NH1 ARG A 102 24.617 -1.782 -17.540 1.00 0.00 N ATOM 213 NH2 ARG A 102 26.771 -1.320 -18.266 1.00 0.00 N ATOM 0 H ARG A 102 22.412 -8.155 -18.968 1.00 0.00 H new ATOM 0 HA ARG A 102 24.949 -6.980 -19.345 1.00 0.00 H new ATOM 0 HB2 ARG A 102 22.686 -5.887 -18.818 1.00 0.00 H new ATOM 0 HB3 ARG A 102 22.918 -6.391 -17.156 1.00 0.00 H new ATOM 0 HG2 ARG A 102 23.908 -4.275 -17.067 1.00 0.00 H new ATOM 0 HG3 ARG A 102 25.316 -5.243 -17.457 1.00 0.00 H new ATOM 0 HD2 ARG A 102 24.670 -4.818 -19.964 1.00 0.00 H new ATOM 0 HD3 ARG A 102 23.625 -3.555 -19.345 1.00 0.00 H new ATOM 0 HE ARG A 102 26.514 -3.440 -19.585 1.00 0.00 H new ATOM 0 HH11 ARG A 102 23.790 -2.379 -17.550 1.00 0.00 H new ATOM 0 HH12 ARG A 102 24.630 -0.939 -16.966 1.00 0.00 H new ATOM 0 HH21 ARG A 102 27.586 -1.563 -18.829 1.00 0.00 H new ATOM 0 HH22 ARG A 102 26.781 -0.477 -17.691 1.00 0.00 H new ATOM 227 N VAL A 103 24.509 -8.568 -16.450 1.00 0.00 N ATOM 228 CA VAL A 103 25.235 -9.152 -15.328 1.00 0.00 C ATOM 229 C VAL A 103 26.261 -10.159 -15.850 1.00 0.00 C ATOM 230 O VAL A 103 27.414 -10.134 -15.430 1.00 0.00 O ATOM 231 CB VAL A 103 24.250 -9.815 -14.356 1.00 0.00 C ATOM 232 CG1 VAL A 103 25.016 -10.598 -13.286 1.00 0.00 C ATOM 233 CG2 VAL A 103 23.407 -8.740 -13.674 1.00 0.00 C ATOM 0 H VAL A 103 23.502 -8.726 -16.429 1.00 0.00 H new ATOM 0 HA VAL A 103 25.767 -8.369 -14.787 1.00 0.00 H new ATOM 0 HB VAL A 103 23.607 -10.496 -14.914 1.00 0.00 H new ATOM 0 HG11 VAL A 103 24.309 -11.065 -12.601 1.00 0.00 H new ATOM 0 HG12 VAL A 103 25.622 -11.368 -13.763 1.00 0.00 H new ATOM 0 HG13 VAL A 103 25.664 -9.919 -12.732 1.00 0.00 H new ATOM 0 HG21 VAL A 103 22.707 -9.210 -12.983 1.00 0.00 H new ATOM 0 HG22 VAL A 103 24.059 -8.061 -13.124 1.00 0.00 H new ATOM 0 HG23 VAL A 103 22.853 -8.180 -14.427 1.00 0.00 H new ATOM 243 N ILE A 104 25.840 -11.039 -16.770 1.00 0.00 N ATOM 244 CA ILE A 104 26.733 -12.032 -17.360 1.00 0.00 C ATOM 245 C ILE A 104 27.960 -11.329 -17.950 1.00 0.00 C ATOM 246 O ILE A 104 29.093 -11.726 -17.687 1.00 0.00 O ATOM 247 CB ILE A 104 25.978 -12.814 -18.452 1.00 0.00 C ATOM 248 CG1 ILE A 104 24.904 -13.709 -17.821 1.00 0.00 C ATOM 249 CG2 ILE A 104 26.962 -13.682 -19.249 1.00 0.00 C ATOM 250 CD1 ILE A 104 23.978 -14.264 -18.910 1.00 0.00 C ATOM 0 H ILE A 104 24.882 -11.079 -17.119 1.00 0.00 H new ATOM 0 HA ILE A 104 27.067 -12.733 -16.595 1.00 0.00 H new ATOM 0 HB ILE A 104 25.498 -12.100 -19.121 1.00 0.00 H new ATOM 0 HG12 ILE A 104 25.375 -14.530 -17.279 1.00 0.00 H new ATOM 0 HG13 ILE A 104 24.324 -13.139 -17.095 1.00 0.00 H new ATOM 0 HG21 ILE A 104 26.421 -14.232 -20.019 1.00 0.00 H new ATOM 0 HG22 ILE A 104 27.712 -13.045 -19.717 1.00 0.00 H new ATOM 0 HG23 ILE A 104 27.452 -14.386 -18.577 1.00 0.00 H new ATOM 0 HD11 ILE A 104 23.218 -14.898 -18.453 1.00 0.00 H new ATOM 0 HD12 ILE A 104 23.495 -13.438 -19.432 1.00 0.00 H new ATOM 0 HD13 ILE A 104 24.562 -14.850 -19.620 1.00 0.00 H new ATOM 262 N GLU A 105 27.720 -10.282 -18.749 1.00 0.00 N ATOM 263 CA GLU A 105 28.783 -9.521 -19.390 1.00 0.00 C ATOM 264 C GLU A 105 29.747 -8.961 -18.343 1.00 0.00 C ATOM 265 O GLU A 105 30.953 -9.157 -18.444 1.00 0.00 O ATOM 266 CB GLU A 105 28.148 -8.384 -20.205 1.00 0.00 C ATOM 267 CG GLU A 105 29.230 -7.554 -20.905 1.00 0.00 C ATOM 268 CD GLU A 105 28.632 -6.284 -21.498 1.00 0.00 C ATOM 269 OE1 GLU A 105 28.281 -5.391 -20.692 1.00 0.00 O ATOM 270 OE2 GLU A 105 28.536 -6.229 -22.742 1.00 0.00 O ATOM 0 H GLU A 105 26.782 -9.944 -18.965 1.00 0.00 H new ATOM 0 HA GLU A 105 29.355 -10.171 -20.052 1.00 0.00 H new ATOM 0 HB2 GLU A 105 27.464 -8.798 -20.945 1.00 0.00 H new ATOM 0 HB3 GLU A 105 27.558 -7.744 -19.549 1.00 0.00 H new ATOM 0 HG2 GLU A 105 30.014 -7.295 -20.194 1.00 0.00 H new ATOM 0 HG3 GLU A 105 29.696 -8.145 -21.693 1.00 0.00 H new ATOM 277 N LEU A 106 29.210 -8.252 -17.347 1.00 0.00 N ATOM 278 CA LEU A 106 30.023 -7.613 -16.319 1.00 0.00 C ATOM 279 C LEU A 106 30.816 -8.649 -15.519 1.00 0.00 C ATOM 280 O LEU A 106 31.965 -8.399 -15.163 1.00 0.00 O ATOM 281 CB LEU A 106 29.118 -6.792 -15.399 1.00 0.00 C ATOM 282 CG LEU A 106 28.470 -5.639 -16.183 1.00 0.00 C ATOM 283 CD1 LEU A 106 27.365 -5.017 -15.334 1.00 0.00 C ATOM 284 CD2 LEU A 106 29.519 -4.575 -16.523 1.00 0.00 C ATOM 0 H LEU A 106 28.207 -8.108 -17.234 1.00 0.00 H new ATOM 0 HA LEU A 106 30.745 -6.952 -16.798 1.00 0.00 H new ATOM 0 HB2 LEU A 106 28.345 -7.431 -14.972 1.00 0.00 H new ATOM 0 HB3 LEU A 106 29.698 -6.394 -14.566 1.00 0.00 H new ATOM 0 HG LEU A 106 28.050 -6.026 -17.111 1.00 0.00 H new ATOM 0 HD11 LEU A 106 26.901 -4.198 -15.884 1.00 0.00 H new ATOM 0 HD12 LEU A 106 26.613 -5.772 -15.105 1.00 0.00 H new ATOM 0 HD13 LEU A 106 27.790 -4.635 -14.406 1.00 0.00 H new ATOM 0 HD21 LEU A 106 29.048 -3.764 -17.078 1.00 0.00 H new ATOM 0 HD22 LEU A 106 29.950 -4.182 -15.602 1.00 0.00 H new ATOM 0 HD23 LEU A 106 30.306 -5.021 -17.131 1.00 0.00 H new ATOM 296 N VAL A 107 30.214 -9.806 -15.234 1.00 0.00 N ATOM 297 CA VAL A 107 30.895 -10.856 -14.487 1.00 0.00 C ATOM 298 C VAL A 107 32.021 -11.433 -15.345 1.00 0.00 C ATOM 299 O VAL A 107 33.104 -11.700 -14.843 1.00 0.00 O ATOM 300 CB VAL A 107 29.887 -11.935 -14.065 1.00 0.00 C ATOM 301 CG1 VAL A 107 30.623 -13.212 -13.654 1.00 0.00 C ATOM 302 CG2 VAL A 107 29.077 -11.429 -12.869 1.00 0.00 C ATOM 0 H VAL A 107 29.259 -10.035 -15.510 1.00 0.00 H new ATOM 0 HA VAL A 107 31.335 -10.447 -13.578 1.00 0.00 H new ATOM 0 HB VAL A 107 29.228 -12.150 -14.906 1.00 0.00 H new ATOM 0 HG11 VAL A 107 29.898 -13.970 -13.357 1.00 0.00 H new ATOM 0 HG12 VAL A 107 31.209 -13.581 -14.496 1.00 0.00 H new ATOM 0 HG13 VAL A 107 31.286 -12.996 -12.816 1.00 0.00 H new ATOM 0 HG21 VAL A 107 28.360 -12.192 -12.566 1.00 0.00 H new ATOM 0 HG22 VAL A 107 29.750 -11.213 -12.039 1.00 0.00 H new ATOM 0 HG23 VAL A 107 28.544 -10.521 -13.149 1.00 0.00 H new ATOM 312 N GLN A 108 31.769 -11.612 -16.643 1.00 0.00 N ATOM 313 CA GLN A 108 32.783 -12.111 -17.560 1.00 0.00 C ATOM 314 C GLN A 108 33.907 -11.074 -17.686 1.00 0.00 C ATOM 315 O GLN A 108 35.076 -11.432 -17.814 1.00 0.00 O ATOM 316 CB GLN A 108 32.132 -12.387 -18.920 1.00 0.00 C ATOM 317 CG GLN A 108 33.156 -13.003 -19.879 1.00 0.00 C ATOM 318 CD GLN A 108 32.509 -13.351 -21.215 1.00 0.00 C ATOM 319 OE1 GLN A 108 32.517 -14.506 -21.629 1.00 0.00 O ATOM 320 NE2 GLN A 108 31.949 -12.347 -21.891 1.00 0.00 N ATOM 0 H GLN A 108 30.868 -11.417 -17.079 1.00 0.00 H new ATOM 0 HA GLN A 108 33.214 -13.039 -17.184 1.00 0.00 H new ATOM 0 HB2 GLN A 108 31.286 -13.063 -18.796 1.00 0.00 H new ATOM 0 HB3 GLN A 108 31.741 -11.460 -19.340 1.00 0.00 H new ATOM 0 HG2 GLN A 108 33.977 -12.304 -20.039 1.00 0.00 H new ATOM 0 HG3 GLN A 108 33.584 -13.901 -19.433 1.00 0.00 H new ATOM 0 HE21 GLN A 108 31.966 -11.402 -21.508 1.00 0.00 H new ATOM 0 HE22 GLN A 108 31.503 -12.524 -22.791 1.00 0.00 H new ATOM 329 N LYS A 109 33.535 -9.788 -17.651 1.00 0.00 N ATOM 330 CA LYS A 109 34.478 -8.689 -17.769 1.00 0.00 C ATOM 331 C LYS A 109 35.394 -8.635 -16.543 1.00 0.00 C ATOM 332 O LYS A 109 36.607 -8.782 -16.670 1.00 0.00 O ATOM 333 CB LYS A 109 33.684 -7.383 -17.917 1.00 0.00 C ATOM 334 CG LYS A 109 34.629 -6.205 -18.166 1.00 0.00 C ATOM 335 CD LYS A 109 33.823 -4.904 -18.152 1.00 0.00 C ATOM 336 CE LYS A 109 34.764 -3.708 -18.310 1.00 0.00 C ATOM 337 NZ LYS A 109 34.042 -2.439 -18.107 1.00 0.00 N ATOM 0 H LYS A 109 32.566 -9.489 -17.539 1.00 0.00 H new ATOM 0 HA LYS A 109 35.111 -8.833 -18.645 1.00 0.00 H new ATOM 0 HB2 LYS A 109 32.978 -7.471 -18.743 1.00 0.00 H new ATOM 0 HB3 LYS A 109 33.098 -7.203 -17.016 1.00 0.00 H new ATOM 0 HG2 LYS A 109 35.403 -6.176 -17.399 1.00 0.00 H new ATOM 0 HG3 LYS A 109 35.134 -6.324 -19.125 1.00 0.00 H new ATOM 0 HD2 LYS A 109 33.091 -4.911 -18.959 1.00 0.00 H new ATOM 0 HD3 LYS A 109 33.267 -4.820 -17.218 1.00 0.00 H new ATOM 0 HE2 LYS A 109 35.580 -3.785 -17.592 1.00 0.00 H new ATOM 0 HE3 LYS A 109 35.211 -3.721 -19.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 34.589 -1.658 -18.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 33.111 -2.492 -18.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 33.916 -2.270 -17.089 1.00 0.00 H new ATOM 351 N TYR A 110 34.809 -8.410 -15.360 1.00 0.00 N ATOM 352 CA TYR A 110 35.572 -8.295 -14.125 1.00 0.00 C ATOM 353 C TYR A 110 35.790 -9.674 -13.507 1.00 0.00 C ATOM 354 O TYR A 110 36.920 -10.158 -13.444 1.00 0.00 O ATOM 355 CB TYR A 110 34.823 -7.381 -13.146 1.00 0.00 C ATOM 356 CG TYR A 110 34.549 -5.997 -13.696 1.00 0.00 C ATOM 357 CD1 TYR A 110 35.617 -5.167 -14.081 1.00 0.00 C ATOM 358 CD2 TYR A 110 33.224 -5.538 -13.818 1.00 0.00 C ATOM 359 CE1 TYR A 110 35.361 -3.882 -14.587 1.00 0.00 C ATOM 360 CE2 TYR A 110 32.971 -4.253 -14.324 1.00 0.00 C ATOM 361 CZ TYR A 110 34.038 -3.426 -14.709 1.00 0.00 C ATOM 362 OH TYR A 110 33.791 -2.179 -15.207 1.00 0.00 O ATOM 0 H TYR A 110 33.802 -8.304 -15.239 1.00 0.00 H new ATOM 0 HA TYR A 110 36.548 -7.861 -14.344 1.00 0.00 H new ATOM 0 HB2 TYR A 110 33.876 -7.850 -12.877 1.00 0.00 H new ATOM 0 HB3 TYR A 110 35.406 -7.290 -12.229 1.00 0.00 H new ATOM 0 HD1 TYR A 110 36.634 -5.518 -13.988 1.00 0.00 H new ATOM 0 HD2 TYR A 110 32.403 -6.174 -13.523 1.00 0.00 H new ATOM 0 HE1 TYR A 110 36.181 -3.245 -14.882 1.00 0.00 H new ATOM 0 HE2 TYR A 110 31.954 -3.900 -14.417 1.00 0.00 H new ATOM 0 HH TYR A 110 32.966 -1.827 -14.812 1.00 0.00 H new ATOM 372 N GLY A 111 34.704 -10.296 -13.039 1.00 0.00 N ATOM 373 CA GLY A 111 34.761 -11.598 -12.396 1.00 0.00 C ATOM 374 C GLY A 111 33.596 -11.730 -11.416 1.00 0.00 C ATOM 375 O GLY A 111 32.786 -10.810 -11.295 1.00 0.00 O ATOM 0 H GLY A 111 33.764 -9.905 -13.099 1.00 0.00 H new ATOM 0 HA2 GLY A 111 34.712 -12.388 -13.145 1.00 0.00 H new ATOM 0 HA3 GLY A 111 35.708 -11.715 -11.870 1.00 0.00 H new ATOM 379 N PRO A 112 33.512 -12.871 -10.708 1.00 0.00 N ATOM 380 CA PRO A 112 32.482 -13.106 -9.715 1.00 0.00 C ATOM 381 C PRO A 112 32.605 -12.087 -8.579 1.00 0.00 C ATOM 382 O PRO A 112 33.589 -11.347 -8.510 1.00 0.00 O ATOM 383 CB PRO A 112 32.704 -14.537 -9.215 1.00 0.00 C ATOM 384 CG PRO A 112 34.009 -15.032 -9.851 1.00 0.00 C ATOM 385 CD PRO A 112 34.440 -13.967 -10.860 1.00 0.00 C ATOM 0 HA PRO A 112 31.479 -12.992 -10.126 1.00 0.00 H new ATOM 0 HB2 PRO A 112 32.771 -14.560 -8.127 1.00 0.00 H new ATOM 0 HB3 PRO A 112 31.869 -15.179 -9.497 1.00 0.00 H new ATOM 0 HG2 PRO A 112 34.777 -15.179 -9.092 1.00 0.00 H new ATOM 0 HG3 PRO A 112 33.859 -15.993 -10.343 1.00 0.00 H new ATOM 0 HD2 PRO A 112 35.462 -13.641 -10.669 1.00 0.00 H new ATOM 0 HD3 PRO A 112 34.415 -14.360 -11.876 1.00 0.00 H new ATOM 393 N LYS A 113 31.601 -12.050 -7.692 1.00 0.00 N ATOM 394 CA LYS A 113 31.577 -11.104 -6.580 1.00 0.00 C ATOM 395 C LYS A 113 31.591 -9.676 -7.139 1.00 0.00 C ATOM 396 O LYS A 113 31.073 -9.440 -8.229 1.00 0.00 O ATOM 397 CB LYS A 113 32.764 -11.361 -5.630 1.00 0.00 C ATOM 398 CG LYS A 113 32.806 -12.840 -5.231 1.00 0.00 C ATOM 399 CD LYS A 113 33.858 -13.046 -4.138 1.00 0.00 C ATOM 400 CE LYS A 113 33.918 -14.528 -3.756 1.00 0.00 C ATOM 401 NZ LYS A 113 34.920 -14.763 -2.700 1.00 0.00 N ATOM 0 H LYS A 113 30.792 -12.671 -7.728 1.00 0.00 H new ATOM 0 HA LYS A 113 30.666 -11.238 -5.996 1.00 0.00 H new ATOM 0 HB2 LYS A 113 33.698 -11.081 -6.118 1.00 0.00 H new ATOM 0 HB3 LYS A 113 32.670 -10.738 -4.740 1.00 0.00 H new ATOM 0 HG2 LYS A 113 31.827 -13.159 -4.873 1.00 0.00 H new ATOM 0 HG3 LYS A 113 33.043 -13.455 -6.099 1.00 0.00 H new ATOM 0 HD2 LYS A 113 34.834 -12.711 -4.490 1.00 0.00 H new ATOM 0 HD3 LYS A 113 33.611 -12.444 -3.263 1.00 0.00 H new ATOM 0 HE2 LYS A 113 32.938 -14.858 -3.412 1.00 0.00 H new ATOM 0 HE3 LYS A 113 34.165 -15.124 -4.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 34.940 -15.775 -2.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 35.858 -14.469 -3.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 34.669 -14.212 -1.855 1.00 0.00 H new ATOM 415 N ARG A 114 32.182 -8.728 -6.394 1.00 0.00 N ATOM 416 CA ARG A 114 32.267 -7.332 -6.825 1.00 0.00 C ATOM 417 C ARG A 114 30.873 -6.821 -7.198 1.00 0.00 C ATOM 418 O ARG A 114 30.700 -6.133 -8.205 1.00 0.00 O ATOM 419 CB ARG A 114 33.230 -7.218 -8.018 1.00 0.00 C ATOM 420 CG ARG A 114 34.618 -7.747 -7.634 1.00 0.00 C ATOM 421 CD ARG A 114 35.433 -7.998 -8.902 1.00 0.00 C ATOM 422 NE ARG A 114 36.758 -8.544 -8.576 1.00 0.00 N ATOM 423 CZ ARG A 114 37.545 -9.148 -9.483 1.00 0.00 C ATOM 424 NH1 ARG A 114 37.136 -9.269 -10.752 1.00 0.00 N ATOM 425 NH2 ARG A 114 38.740 -9.629 -9.117 1.00 0.00 N ATOM 0 H ARG A 114 32.609 -8.909 -5.486 1.00 0.00 H new ATOM 0 HA ARG A 114 32.652 -6.719 -6.010 1.00 0.00 H new ATOM 0 HB2 ARG A 114 32.839 -7.783 -8.865 1.00 0.00 H new ATOM 0 HB3 ARG A 114 33.305 -6.178 -8.336 1.00 0.00 H new ATOM 0 HG2 ARG A 114 35.130 -7.027 -6.996 1.00 0.00 H new ATOM 0 HG3 ARG A 114 34.522 -8.669 -7.061 1.00 0.00 H new ATOM 0 HD2 ARG A 114 34.899 -8.692 -9.551 1.00 0.00 H new ATOM 0 HD3 ARG A 114 35.546 -7.066 -9.457 1.00 0.00 H new ATOM 0 HE ARG A 114 37.096 -8.461 -7.617 1.00 0.00 H new ATOM 0 HH11 ARG A 114 36.226 -8.903 -11.032 1.00 0.00 H new ATOM 0 HH12 ARG A 114 37.734 -9.728 -11.439 1.00 0.00 H new ATOM 0 HH21 ARG A 114 39.053 -9.537 -8.150 1.00 0.00 H new ATOM 0 HH22 ARG A 114 39.338 -10.087 -9.805 1.00 0.00 H new ATOM 439 N TRP A 115 29.879 -7.169 -6.376 1.00 0.00 N ATOM 440 CA TRP A 115 28.499 -6.793 -6.624 1.00 0.00 C ATOM 441 C TRP A 115 28.309 -5.285 -6.496 1.00 0.00 C ATOM 442 O TRP A 115 27.329 -4.751 -6.995 1.00 0.00 O ATOM 443 CB TRP A 115 27.601 -7.572 -5.667 1.00 0.00 C ATOM 444 CG TRP A 115 27.735 -9.052 -5.830 1.00 0.00 C ATOM 445 CD1 TRP A 115 28.173 -9.914 -4.898 1.00 0.00 C ATOM 446 CD2 TRP A 115 27.477 -9.862 -7.016 1.00 0.00 C ATOM 447 NE1 TRP A 115 28.219 -11.195 -5.397 1.00 0.00 N ATOM 448 CE2 TRP A 115 27.802 -11.222 -6.717 1.00 0.00 C ATOM 449 CE3 TRP A 115 27.011 -9.590 -8.324 1.00 0.00 C ATOM 450 CZ2 TRP A 115 27.682 -12.245 -7.662 1.00 0.00 C ATOM 451 CZ3 TRP A 115 26.882 -10.620 -9.276 1.00 0.00 C ATOM 452 CH2 TRP A 115 27.225 -11.939 -8.949 1.00 0.00 C ATOM 0 H TRP A 115 30.015 -7.716 -5.526 1.00 0.00 H new ATOM 0 HA TRP A 115 28.223 -7.047 -7.647 1.00 0.00 H new ATOM 0 HB2 TRP A 115 27.847 -7.299 -4.641 1.00 0.00 H new ATOM 0 HB3 TRP A 115 26.563 -7.284 -5.833 1.00 0.00 H new ATOM 0 HD1 TRP A 115 28.452 -9.638 -3.892 1.00 0.00 H new ATOM 0 HE1 TRP A 115 28.519 -12.013 -4.867 1.00 0.00 H new ATOM 0 HE3 TRP A 115 26.750 -8.578 -8.596 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 27.939 -13.261 -7.402 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 26.516 -10.392 -10.266 1.00 0.00 H new ATOM 0 HH2 TRP A 115 27.137 -12.719 -9.690 1.00 0.00 H new ATOM 463 N SER A 116 29.253 -4.594 -5.846 1.00 0.00 N ATOM 464 CA SER A 116 29.195 -3.146 -5.732 1.00 0.00 C ATOM 465 C SER A 116 29.421 -2.532 -7.117 1.00 0.00 C ATOM 466 O SER A 116 28.698 -1.624 -7.526 1.00 0.00 O ATOM 467 CB SER A 116 30.261 -2.670 -4.740 1.00 0.00 C ATOM 468 OG SER A 116 30.187 -1.267 -4.602 1.00 0.00 O ATOM 0 H SER A 116 30.062 -5.021 -5.394 1.00 0.00 H new ATOM 0 HA SER A 116 28.219 -2.832 -5.362 1.00 0.00 H new ATOM 0 HB2 SER A 116 30.111 -3.149 -3.772 1.00 0.00 H new ATOM 0 HB3 SER A 116 31.252 -2.959 -5.089 1.00 0.00 H new ATOM 0 HG SER A 116 30.868 -0.964 -3.966 1.00 0.00 H new ATOM 474 N VAL A 117 30.430 -3.044 -7.837 1.00 0.00 N ATOM 475 CA VAL A 117 30.756 -2.570 -9.174 1.00 0.00 C ATOM 476 C VAL A 117 29.619 -2.924 -10.132 1.00 0.00 C ATOM 477 O VAL A 117 29.148 -2.072 -10.881 1.00 0.00 O ATOM 478 CB VAL A 117 32.080 -3.212 -9.629 1.00 0.00 C ATOM 479 CG1 VAL A 117 32.396 -2.801 -11.071 1.00 0.00 C ATOM 480 CG2 VAL A 117 33.218 -2.754 -8.711 1.00 0.00 C ATOM 0 H VAL A 117 31.035 -3.794 -7.504 1.00 0.00 H new ATOM 0 HA VAL A 117 30.876 -1.487 -9.170 1.00 0.00 H new ATOM 0 HB VAL A 117 31.982 -4.296 -9.578 1.00 0.00 H new ATOM 0 HG11 VAL A 117 33.334 -3.260 -11.383 1.00 0.00 H new ATOM 0 HG12 VAL A 117 31.593 -3.134 -11.728 1.00 0.00 H new ATOM 0 HG13 VAL A 117 32.486 -1.716 -11.129 1.00 0.00 H new ATOM 0 HG21 VAL A 117 34.153 -3.210 -9.036 1.00 0.00 H new ATOM 0 HG22 VAL A 117 33.308 -1.669 -8.757 1.00 0.00 H new ATOM 0 HG23 VAL A 117 33.003 -3.057 -7.686 1.00 0.00 H new ATOM 490 N ILE A 118 29.181 -4.187 -10.102 1.00 0.00 N ATOM 491 CA ILE A 118 28.108 -4.655 -10.968 1.00 0.00 C ATOM 492 C ILE A 118 26.836 -3.836 -10.711 1.00 0.00 C ATOM 493 O ILE A 118 26.200 -3.382 -11.656 1.00 0.00 O ATOM 494 CB ILE A 118 27.884 -6.157 -10.725 1.00 0.00 C ATOM 495 CG1 ILE A 118 29.090 -6.943 -11.272 1.00 0.00 C ATOM 496 CG2 ILE A 118 26.605 -6.625 -11.434 1.00 0.00 C ATOM 497 CD1 ILE A 118 29.161 -8.325 -10.622 1.00 0.00 C ATOM 0 H ILE A 118 29.559 -4.903 -9.482 1.00 0.00 H new ATOM 0 HA ILE A 118 28.378 -4.517 -12.015 1.00 0.00 H new ATOM 0 HB ILE A 118 27.779 -6.334 -9.655 1.00 0.00 H new ATOM 0 HG12 ILE A 118 29.005 -7.046 -12.354 1.00 0.00 H new ATOM 0 HG13 ILE A 118 30.011 -6.393 -11.075 1.00 0.00 H new ATOM 0 HG21 ILE A 118 26.458 -7.690 -11.254 1.00 0.00 H new ATOM 0 HG22 ILE A 118 25.750 -6.070 -11.047 1.00 0.00 H new ATOM 0 HG23 ILE A 118 26.697 -6.447 -12.505 1.00 0.00 H new ATOM 0 HD11 ILE A 118 30.018 -8.870 -11.018 1.00 0.00 H new ATOM 0 HD12 ILE A 118 29.268 -8.214 -9.543 1.00 0.00 H new ATOM 0 HD13 ILE A 118 28.247 -8.878 -10.841 1.00 0.00 H new ATOM 509 N ALA A 119 26.473 -3.642 -9.433 1.00 0.00 N ATOM 510 CA ALA A 119 25.285 -2.869 -9.067 1.00 0.00 C ATOM 511 C ALA A 119 25.375 -1.455 -9.642 1.00 0.00 C ATOM 512 O ALA A 119 24.377 -0.915 -10.116 1.00 0.00 O ATOM 513 CB ALA A 119 25.154 -2.819 -7.545 1.00 0.00 C ATOM 0 H ALA A 119 26.990 -4.013 -8.636 1.00 0.00 H new ATOM 0 HA ALA A 119 24.401 -3.353 -9.483 1.00 0.00 H new ATOM 0 HB1 ALA A 119 24.269 -2.243 -7.275 1.00 0.00 H new ATOM 0 HB2 ALA A 119 25.061 -3.832 -7.154 1.00 0.00 H new ATOM 0 HB3 ALA A 119 26.039 -2.346 -7.119 1.00 0.00 H new ATOM 519 N LYS A 120 26.575 -0.859 -9.601 1.00 0.00 N ATOM 520 CA LYS A 120 26.798 0.484 -10.128 1.00 0.00 C ATOM 521 C LYS A 120 26.356 0.566 -11.593 1.00 0.00 C ATOM 522 O LYS A 120 25.898 1.615 -12.043 1.00 0.00 O ATOM 523 CB LYS A 120 28.288 0.839 -10.000 1.00 0.00 C ATOM 524 CG LYS A 120 28.456 2.089 -9.137 1.00 0.00 C ATOM 525 CD LYS A 120 29.946 2.395 -8.974 1.00 0.00 C ATOM 526 CE LYS A 120 30.121 3.767 -8.320 1.00 0.00 C ATOM 527 NZ LYS A 120 31.543 4.053 -8.060 1.00 0.00 N ATOM 0 H LYS A 120 27.408 -1.294 -9.204 1.00 0.00 H new ATOM 0 HA LYS A 120 26.206 1.197 -9.554 1.00 0.00 H new ATOM 0 HB2 LYS A 120 28.832 0.005 -9.556 1.00 0.00 H new ATOM 0 HB3 LYS A 120 28.716 1.009 -10.988 1.00 0.00 H new ATOM 0 HG2 LYS A 120 27.948 2.935 -9.600 1.00 0.00 H new ATOM 0 HG3 LYS A 120 27.996 1.935 -8.161 1.00 0.00 H new ATOM 0 HD2 LYS A 120 30.420 1.627 -8.363 1.00 0.00 H new ATOM 0 HD3 LYS A 120 30.439 2.379 -9.946 1.00 0.00 H new ATOM 0 HE2 LYS A 120 29.704 4.538 -8.968 1.00 0.00 H new ATOM 0 HE3 LYS A 120 29.563 3.801 -7.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 31.633 4.989 -7.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 31.932 3.329 -7.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 32.069 4.043 -8.957 1.00 0.00 H new ATOM 541 N HIS A 121 26.501 -0.541 -12.332 1.00 0.00 N ATOM 542 CA HIS A 121 26.140 -0.590 -13.739 1.00 0.00 C ATOM 543 C HIS A 121 24.677 -1.008 -13.879 1.00 0.00 C ATOM 544 O HIS A 121 23.975 -0.525 -14.769 1.00 0.00 O ATOM 545 CB HIS A 121 27.073 -1.570 -14.448 1.00 0.00 C ATOM 546 CG HIS A 121 28.526 -1.296 -14.143 1.00 0.00 C ATOM 547 ND1 HIS A 121 29.044 -0.008 -14.048 1.00 0.00 N ATOM 548 CD2 HIS A 121 29.591 -2.121 -13.890 1.00 0.00 C ATOM 549 CE1 HIS A 121 30.354 -0.136 -13.755 1.00 0.00 C ATOM 550 NE2 HIS A 121 30.752 -1.403 -13.645 1.00 0.00 N ATOM 0 H HIS A 121 26.870 -1.419 -11.967 1.00 0.00 H new ATOM 0 HA HIS A 121 26.250 0.392 -14.199 1.00 0.00 H new ATOM 0 HB2 HIS A 121 26.826 -2.588 -14.146 1.00 0.00 H new ATOM 0 HB3 HIS A 121 26.912 -1.509 -15.524 1.00 0.00 H new ATOM 0 HD1 HIS A 121 28.532 0.865 -14.175 1.00 0.00 H new ATOM 0 HD2 HIS A 121 29.533 -3.199 -13.882 1.00 0.00 H new ATOM 0 HE1 HIS A 121 31.016 0.707 -13.622 1.00 0.00 H new ATOM 558 N LEU A 122 24.221 -1.898 -12.989 1.00 0.00 N ATOM 559 CA LEU A 122 22.838 -2.350 -12.967 1.00 0.00 C ATOM 560 C LEU A 122 22.024 -1.354 -12.138 1.00 0.00 C ATOM 561 O LEU A 122 21.478 -1.702 -11.090 1.00 0.00 O ATOM 562 CB LEU A 122 22.769 -3.767 -12.360 1.00 0.00 C ATOM 563 CG LEU A 122 22.936 -4.858 -13.434 1.00 0.00 C ATOM 564 CD1 LEU A 122 21.699 -4.905 -14.327 1.00 0.00 C ATOM 565 CD2 LEU A 122 24.174 -4.603 -14.293 1.00 0.00 C ATOM 0 H LEU A 122 24.805 -2.320 -12.268 1.00 0.00 H new ATOM 0 HA LEU A 122 22.428 -2.397 -13.976 1.00 0.00 H new ATOM 0 HB2 LEU A 122 23.548 -3.878 -11.605 1.00 0.00 H new ATOM 0 HB3 LEU A 122 21.813 -3.899 -11.853 1.00 0.00 H new ATOM 0 HG LEU A 122 23.059 -5.814 -12.925 1.00 0.00 H new ATOM 0 HD11 LEU A 122 21.826 -5.679 -15.084 1.00 0.00 H new ATOM 0 HD12 LEU A 122 20.821 -5.130 -13.721 1.00 0.00 H new ATOM 0 HD13 LEU A 122 21.565 -3.939 -14.815 1.00 0.00 H new ATOM 0 HD21 LEU A 122 24.265 -5.390 -15.042 1.00 0.00 H new ATOM 0 HD22 LEU A 122 24.079 -3.638 -14.790 1.00 0.00 H new ATOM 0 HD23 LEU A 122 25.062 -4.600 -13.660 1.00 0.00 H new ATOM 577 N LYS A 123 21.956 -0.104 -12.615 1.00 0.00 N ATOM 578 CA LYS A 123 21.249 0.962 -11.917 1.00 0.00 C ATOM 579 C LYS A 123 19.835 0.510 -11.552 1.00 0.00 C ATOM 580 O LYS A 123 19.068 0.101 -12.425 1.00 0.00 O ATOM 581 CB LYS A 123 21.203 2.209 -12.805 1.00 0.00 C ATOM 582 CG LYS A 123 22.612 2.803 -12.940 1.00 0.00 C ATOM 583 CD LYS A 123 22.606 3.956 -13.952 1.00 0.00 C ATOM 584 CE LYS A 123 21.819 5.147 -13.392 1.00 0.00 C ATOM 585 NZ LYS A 123 21.942 6.323 -14.273 1.00 0.00 N ATOM 0 H LYS A 123 22.389 0.189 -13.491 1.00 0.00 H new ATOM 0 HA LYS A 123 21.778 1.202 -10.994 1.00 0.00 H new ATOM 0 HB2 LYS A 123 20.811 1.952 -13.789 1.00 0.00 H new ATOM 0 HB3 LYS A 123 20.526 2.948 -12.376 1.00 0.00 H new ATOM 0 HG2 LYS A 123 22.958 3.162 -11.971 1.00 0.00 H new ATOM 0 HG3 LYS A 123 23.311 2.031 -13.262 1.00 0.00 H new ATOM 0 HD2 LYS A 123 23.629 4.259 -14.175 1.00 0.00 H new ATOM 0 HD3 LYS A 123 22.160 3.624 -14.890 1.00 0.00 H new ATOM 0 HE2 LYS A 123 20.769 4.876 -13.286 1.00 0.00 H new ATOM 0 HE3 LYS A 123 22.186 5.394 -12.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 21.401 7.115 -13.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 22.943 6.593 -14.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 21.569 6.091 -15.216 1.00 0.00 H new ATOM 599 N GLY A 124 19.501 0.588 -10.255 1.00 0.00 N ATOM 600 CA GLY A 124 18.191 0.192 -9.753 1.00 0.00 C ATOM 601 C GLY A 124 18.313 -1.055 -8.880 1.00 0.00 C ATOM 602 O GLY A 124 17.586 -1.195 -7.897 1.00 0.00 O ATOM 0 H GLY A 124 20.135 0.928 -9.532 1.00 0.00 H new ATOM 0 HA2 GLY A 124 17.754 1.007 -9.176 1.00 0.00 H new ATOM 0 HA3 GLY A 124 17.518 -0.005 -10.588 1.00 0.00 H new ATOM 606 N ARG A 125 19.234 -1.960 -9.240 1.00 0.00 N ATOM 607 CA ARG A 125 19.452 -3.188 -8.489 1.00 0.00 C ATOM 608 C ARG A 125 20.607 -2.976 -7.517 1.00 0.00 C ATOM 609 O ARG A 125 21.743 -2.771 -7.939 1.00 0.00 O ATOM 610 CB ARG A 125 19.771 -4.336 -9.455 1.00 0.00 C ATOM 611 CG ARG A 125 18.602 -4.566 -10.423 1.00 0.00 C ATOM 612 CD ARG A 125 17.560 -5.497 -9.781 1.00 0.00 C ATOM 613 NE ARG A 125 16.298 -5.505 -10.545 1.00 0.00 N ATOM 614 CZ ARG A 125 16.206 -5.925 -11.821 1.00 0.00 C ATOM 615 NH1 ARG A 125 17.265 -6.445 -12.438 1.00 0.00 N ATOM 616 NH2 ARG A 125 15.048 -5.823 -12.481 1.00 0.00 N ATOM 0 H ARG A 125 19.840 -1.856 -10.054 1.00 0.00 H new ATOM 0 HA ARG A 125 18.553 -3.446 -7.929 1.00 0.00 H new ATOM 0 HB2 ARG A 125 20.676 -4.105 -10.017 1.00 0.00 H new ATOM 0 HB3 ARG A 125 19.969 -5.248 -8.892 1.00 0.00 H new ATOM 0 HG2 ARG A 125 18.140 -3.613 -10.681 1.00 0.00 H new ATOM 0 HG3 ARG A 125 18.969 -5.003 -11.351 1.00 0.00 H new ATOM 0 HD2 ARG A 125 17.960 -6.510 -9.727 1.00 0.00 H new ATOM 0 HD3 ARG A 125 17.365 -5.176 -8.758 1.00 0.00 H new ATOM 0 HE ARG A 125 15.451 -5.175 -10.082 1.00 0.00 H new ATOM 0 HH11 ARG A 125 18.154 -6.527 -11.944 1.00 0.00 H new ATOM 0 HH12 ARG A 125 17.188 -6.761 -13.405 1.00 0.00 H new ATOM 0 HH21 ARG A 125 14.230 -5.426 -12.018 1.00 0.00 H new ATOM 0 HH22 ARG A 125 14.982 -6.142 -13.448 1.00 0.00 H new ATOM 630 N ILE A 126 20.314 -3.022 -6.215 1.00 0.00 N ATOM 631 CA ILE A 126 21.328 -2.831 -5.187 1.00 0.00 C ATOM 632 C ILE A 126 22.314 -4.002 -5.193 1.00 0.00 C ATOM 633 O ILE A 126 22.125 -4.976 -5.927 1.00 0.00 O ATOM 634 CB ILE A 126 20.649 -2.692 -3.812 1.00 0.00 C ATOM 635 CG1 ILE A 126 19.850 -3.969 -3.486 1.00 0.00 C ATOM 636 CG2 ILE A 126 19.714 -1.476 -3.825 1.00 0.00 C ATOM 637 CD1 ILE A 126 19.290 -3.891 -2.064 1.00 0.00 C ATOM 0 H ILE A 126 19.376 -3.191 -5.851 1.00 0.00 H new ATOM 0 HA ILE A 126 21.886 -1.918 -5.395 1.00 0.00 H new ATOM 0 HB ILE A 126 21.412 -2.552 -3.046 1.00 0.00 H new ATOM 0 HG12 ILE A 126 19.035 -4.089 -4.200 1.00 0.00 H new ATOM 0 HG13 ILE A 126 20.492 -4.844 -3.585 1.00 0.00 H new ATOM 0 HG21 ILE A 126 19.233 -1.377 -2.852 1.00 0.00 H new ATOM 0 HG22 ILE A 126 20.291 -0.576 -4.038 1.00 0.00 H new ATOM 0 HG23 ILE A 126 18.953 -1.610 -4.594 1.00 0.00 H new ATOM 0 HD11 ILE A 126 18.727 -4.798 -1.844 1.00 0.00 H new ATOM 0 HD12 ILE A 126 20.111 -3.793 -1.354 1.00 0.00 H new ATOM 0 HD13 ILE A 126 18.632 -3.026 -1.979 1.00 0.00 H new ATOM 649 N GLY A 127 23.365 -3.903 -4.366 1.00 0.00 N ATOM 650 CA GLY A 127 24.379 -4.943 -4.261 1.00 0.00 C ATOM 651 C GLY A 127 23.853 -6.116 -3.436 1.00 0.00 C ATOM 652 O GLY A 127 24.435 -6.472 -2.414 1.00 0.00 O ATOM 0 H GLY A 127 23.529 -3.101 -3.757 1.00 0.00 H new ATOM 0 HA2 GLY A 127 24.661 -5.287 -5.256 1.00 0.00 H new ATOM 0 HA3 GLY A 127 25.278 -4.538 -3.797 1.00 0.00 H new ATOM 656 N LYS A 128 22.750 -6.713 -3.893 1.00 0.00 N ATOM 657 CA LYS A 128 22.134 -7.848 -3.229 1.00 0.00 C ATOM 658 C LYS A 128 21.346 -8.643 -4.261 1.00 0.00 C ATOM 659 O LYS A 128 21.499 -9.854 -4.357 1.00 0.00 O ATOM 660 CB LYS A 128 21.214 -7.359 -2.100 1.00 0.00 C ATOM 661 CG LYS A 128 21.000 -8.483 -1.067 1.00 0.00 C ATOM 662 CD LYS A 128 19.502 -8.791 -0.897 1.00 0.00 C ATOM 663 CE LYS A 128 19.095 -9.937 -1.831 1.00 0.00 C ATOM 664 NZ LYS A 128 17.655 -10.230 -1.719 1.00 0.00 N ATOM 0 H LYS A 128 22.262 -6.416 -4.738 1.00 0.00 H new ATOM 0 HA LYS A 128 22.899 -8.486 -2.787 1.00 0.00 H new ATOM 0 HB2 LYS A 128 21.653 -6.487 -1.615 1.00 0.00 H new ATOM 0 HB3 LYS A 128 20.255 -7.046 -2.512 1.00 0.00 H new ATOM 0 HG2 LYS A 128 21.527 -9.382 -1.387 1.00 0.00 H new ATOM 0 HG3 LYS A 128 21.426 -8.188 -0.108 1.00 0.00 H new ATOM 0 HD2 LYS A 128 19.293 -9.062 0.138 1.00 0.00 H new ATOM 0 HD3 LYS A 128 18.912 -7.902 -1.119 1.00 0.00 H new ATOM 0 HE2 LYS A 128 19.336 -9.673 -2.861 1.00 0.00 H new ATOM 0 HE3 LYS A 128 19.671 -10.830 -1.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 17.487 -11.234 -1.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 17.333 -10.023 -0.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 17.127 -9.640 -2.393 1.00 0.00 H new ATOM 678 N GLN A 129 20.502 -7.947 -5.037 1.00 0.00 N ATOM 679 CA GLN A 129 19.696 -8.583 -6.067 1.00 0.00 C ATOM 680 C GLN A 129 20.601 -9.131 -7.168 1.00 0.00 C ATOM 681 O GLN A 129 20.331 -10.196 -7.711 1.00 0.00 O ATOM 682 CB GLN A 129 18.691 -7.573 -6.641 1.00 0.00 C ATOM 683 CG GLN A 129 17.717 -7.103 -5.547 1.00 0.00 C ATOM 684 CD GLN A 129 17.070 -8.284 -4.824 1.00 0.00 C ATOM 685 OE1 GLN A 129 17.067 -8.333 -3.596 1.00 0.00 O ATOM 686 NE2 GLN A 129 16.530 -9.237 -5.584 1.00 0.00 N ATOM 0 H GLN A 129 20.366 -6.939 -4.963 1.00 0.00 H new ATOM 0 HA GLN A 129 19.140 -9.413 -5.631 1.00 0.00 H new ATOM 0 HB2 GLN A 129 19.223 -6.717 -7.055 1.00 0.00 H new ATOM 0 HB3 GLN A 129 18.135 -8.029 -7.460 1.00 0.00 H new ATOM 0 HG2 GLN A 129 18.250 -6.483 -4.827 1.00 0.00 H new ATOM 0 HG3 GLN A 129 16.942 -6.480 -5.993 1.00 0.00 H new ATOM 0 HE21 GLN A 129 16.556 -9.154 -6.600 1.00 0.00 H new ATOM 0 HE22 GLN A 129 16.091 -10.049 -5.149 1.00 0.00 H new ATOM 695 N CYS A 130 21.680 -8.405 -7.492 1.00 0.00 N ATOM 696 CA CYS A 130 22.633 -8.853 -8.500 1.00 0.00 C ATOM 697 C CYS A 130 23.211 -10.204 -8.080 1.00 0.00 C ATOM 698 O CYS A 130 23.275 -11.134 -8.883 1.00 0.00 O ATOM 699 CB CYS A 130 23.746 -7.812 -8.657 1.00 0.00 C ATOM 700 SG CYS A 130 23.050 -6.299 -9.369 1.00 0.00 S ATOM 0 H CYS A 130 21.909 -7.506 -7.067 1.00 0.00 H new ATOM 0 HA CYS A 130 22.131 -8.967 -9.461 1.00 0.00 H new ATOM 0 HB2 CYS A 130 24.199 -7.598 -7.689 1.00 0.00 H new ATOM 0 HB3 CYS A 130 24.536 -8.201 -9.300 1.00 0.00 H new ATOM 0 HG CYS A 130 24.014 -5.491 -9.699 1.00 0.00 H new ATOM 706 N ARG A 131 23.624 -10.306 -6.810 1.00 0.00 N ATOM 707 CA ARG A 131 24.173 -11.536 -6.266 1.00 0.00 C ATOM 708 C ARG A 131 23.095 -12.617 -6.267 1.00 0.00 C ATOM 709 O ARG A 131 23.336 -13.735 -6.710 1.00 0.00 O ATOM 710 CB ARG A 131 24.682 -11.264 -4.841 1.00 0.00 C ATOM 711 CG ARG A 131 25.500 -12.456 -4.321 1.00 0.00 C ATOM 712 CD ARG A 131 24.601 -13.416 -3.533 1.00 0.00 C ATOM 713 NE ARG A 131 25.383 -14.532 -2.988 1.00 0.00 N ATOM 714 CZ ARG A 131 24.821 -15.598 -2.393 1.00 0.00 C ATOM 715 NH1 ARG A 131 23.487 -15.687 -2.287 1.00 0.00 N ATOM 716 NH2 ARG A 131 25.596 -16.575 -1.904 1.00 0.00 N ATOM 0 H ARG A 131 23.584 -9.537 -6.141 1.00 0.00 H new ATOM 0 HA ARG A 131 25.006 -11.885 -6.876 1.00 0.00 H new ATOM 0 HB2 ARG A 131 25.297 -10.364 -4.834 1.00 0.00 H new ATOM 0 HB3 ARG A 131 23.838 -11.078 -4.177 1.00 0.00 H new ATOM 0 HG2 ARG A 131 25.960 -12.982 -5.157 1.00 0.00 H new ATOM 0 HG3 ARG A 131 26.310 -12.100 -3.684 1.00 0.00 H new ATOM 0 HD2 ARG A 131 24.111 -12.879 -2.721 1.00 0.00 H new ATOM 0 HD3 ARG A 131 23.814 -13.800 -4.182 1.00 0.00 H new ATOM 0 HE ARG A 131 26.400 -14.497 -3.064 1.00 0.00 H new ATOM 0 HH11 ARG A 131 22.895 -14.944 -2.659 1.00 0.00 H new ATOM 0 HH12 ARG A 131 23.064 -16.498 -1.835 1.00 0.00 H new ATOM 0 HH21 ARG A 131 26.611 -16.509 -1.984 1.00 0.00 H new ATOM 0 HH22 ARG A 131 25.171 -17.385 -1.452 1.00 0.00 H new ATOM 730 N GLU A 132 21.907 -12.271 -5.762 1.00 0.00 N ATOM 731 CA GLU A 132 20.784 -13.191 -5.683 1.00 0.00 C ATOM 732 C GLU A 132 20.539 -13.836 -7.047 1.00 0.00 C ATOM 733 O GLU A 132 20.624 -15.051 -7.179 1.00 0.00 O ATOM 734 CB GLU A 132 19.555 -12.408 -5.199 1.00 0.00 C ATOM 735 CG GLU A 132 18.424 -13.358 -4.812 1.00 0.00 C ATOM 736 CD GLU A 132 17.318 -12.591 -4.094 1.00 0.00 C ATOM 737 OE1 GLU A 132 16.546 -11.906 -4.800 1.00 0.00 O ATOM 738 OE2 GLU A 132 17.271 -12.693 -2.848 1.00 0.00 O ATOM 0 H GLU A 132 21.703 -11.341 -5.397 1.00 0.00 H new ATOM 0 HA GLU A 132 20.994 -13.995 -4.978 1.00 0.00 H new ATOM 0 HB2 GLU A 132 19.826 -11.790 -4.343 1.00 0.00 H new ATOM 0 HB3 GLU A 132 19.216 -11.733 -5.985 1.00 0.00 H new ATOM 0 HG2 GLU A 132 18.023 -13.841 -5.703 1.00 0.00 H new ATOM 0 HG3 GLU A 132 18.807 -14.148 -4.167 1.00 0.00 H new ATOM 745 N ARG A 133 20.243 -13.011 -8.057 1.00 0.00 N ATOM 746 CA ARG A 133 19.986 -13.482 -9.412 1.00 0.00 C ATOM 747 C ARG A 133 21.039 -14.511 -9.828 1.00 0.00 C ATOM 748 O ARG A 133 20.703 -15.573 -10.358 1.00 0.00 O ATOM 749 CB ARG A 133 20.013 -12.272 -10.362 1.00 0.00 C ATOM 750 CG ARG A 133 19.530 -12.663 -11.764 1.00 0.00 C ATOM 751 CD ARG A 133 18.006 -12.793 -11.793 1.00 0.00 C ATOM 752 NE ARG A 133 17.549 -13.043 -13.165 1.00 0.00 N ATOM 753 CZ ARG A 133 16.321 -13.483 -13.471 1.00 0.00 C ATOM 754 NH1 ARG A 133 15.391 -13.587 -12.520 1.00 0.00 N ATOM 755 NH2 ARG A 133 16.029 -13.815 -14.733 1.00 0.00 N ATOM 0 H ARG A 133 20.176 -11.999 -7.953 1.00 0.00 H new ATOM 0 HA ARG A 133 19.010 -13.965 -9.457 1.00 0.00 H new ATOM 0 HB2 ARG A 133 19.381 -11.478 -9.964 1.00 0.00 H new ATOM 0 HB3 ARG A 133 21.026 -11.874 -10.420 1.00 0.00 H new ATOM 0 HG2 ARG A 133 19.850 -11.913 -12.487 1.00 0.00 H new ATOM 0 HG3 ARG A 133 19.986 -13.607 -12.061 1.00 0.00 H new ATOM 0 HD2 ARG A 133 17.690 -13.608 -11.142 1.00 0.00 H new ATOM 0 HD3 ARG A 133 17.548 -11.882 -11.409 1.00 0.00 H new ATOM 0 HE ARG A 133 18.203 -12.872 -13.929 1.00 0.00 H new ATOM 0 HH11 ARG A 133 15.614 -13.331 -11.558 1.00 0.00 H new ATOM 0 HH12 ARG A 133 14.457 -13.922 -12.755 1.00 0.00 H new ATOM 0 HH21 ARG A 133 16.740 -13.733 -15.460 1.00 0.00 H new ATOM 0 HH22 ARG A 133 15.095 -14.150 -14.969 1.00 0.00 H new ATOM 769 N TRP A 134 22.311 -14.184 -9.591 1.00 0.00 N ATOM 770 CA TRP A 134 23.417 -15.035 -9.983 1.00 0.00 C ATOM 771 C TRP A 134 23.419 -16.360 -9.214 1.00 0.00 C ATOM 772 O TRP A 134 23.644 -17.411 -9.806 1.00 0.00 O ATOM 773 CB TRP A 134 24.729 -14.282 -9.758 1.00 0.00 C ATOM 774 CG TRP A 134 25.858 -14.789 -10.587 1.00 0.00 C ATOM 775 CD1 TRP A 134 26.939 -15.450 -10.138 1.00 0.00 C ATOM 776 CD2 TRP A 134 26.028 -14.694 -12.025 1.00 0.00 C ATOM 777 NE1 TRP A 134 27.772 -15.789 -11.177 1.00 0.00 N ATOM 778 CE2 TRP A 134 27.250 -15.345 -12.382 1.00 0.00 C ATOM 779 CE3 TRP A 134 25.273 -14.124 -13.075 1.00 0.00 C ATOM 780 CZ2 TRP A 134 27.683 -15.435 -13.704 1.00 0.00 C ATOM 781 CZ3 TRP A 134 25.709 -14.208 -14.401 1.00 0.00 C ATOM 782 CH2 TRP A 134 26.904 -14.870 -14.721 1.00 0.00 C ATOM 0 H TRP A 134 22.594 -13.323 -9.123 1.00 0.00 H new ATOM 0 HA TRP A 134 23.307 -15.281 -11.039 1.00 0.00 H new ATOM 0 HB2 TRP A 134 24.574 -13.226 -9.977 1.00 0.00 H new ATOM 0 HB3 TRP A 134 25.002 -14.352 -8.705 1.00 0.00 H new ATOM 0 HD1 TRP A 134 27.127 -15.683 -9.100 1.00 0.00 H new ATOM 0 HE1 TRP A 134 28.651 -16.296 -11.076 1.00 0.00 H new ATOM 0 HE3 TRP A 134 24.347 -13.617 -12.850 1.00 0.00 H new ATOM 0 HZ2 TRP A 134 28.610 -15.936 -13.941 1.00 0.00 H new ATOM 0 HZ3 TRP A 134 25.120 -13.759 -15.187 1.00 0.00 H new ATOM 0 HH2 TRP A 134 27.222 -14.944 -15.750 1.00 0.00 H new ATOM 793 N HIS A 135 23.187 -16.313 -7.896 1.00 0.00 N ATOM 794 CA HIS A 135 23.238 -17.510 -7.058 1.00 0.00 C ATOM 795 C HIS A 135 21.893 -18.254 -7.042 1.00 0.00 C ATOM 796 O HIS A 135 21.660 -19.076 -6.157 1.00 0.00 O ATOM 797 CB HIS A 135 23.668 -17.106 -5.644 1.00 0.00 C ATOM 798 CG HIS A 135 25.143 -16.800 -5.564 1.00 0.00 C ATOM 799 ND1 HIS A 135 26.060 -17.675 -4.993 1.00 0.00 N ATOM 800 CD2 HIS A 135 25.893 -15.730 -5.982 1.00 0.00 C ATOM 801 CE1 HIS A 135 27.271 -17.091 -5.095 1.00 0.00 C ATOM 802 NE2 HIS A 135 27.238 -15.898 -5.690 1.00 0.00 N ATOM 0 H HIS A 135 22.962 -15.456 -7.390 1.00 0.00 H new ATOM 0 HA HIS A 135 23.968 -18.204 -7.476 1.00 0.00 H new ATOM 0 HB2 HIS A 135 23.099 -16.231 -5.329 1.00 0.00 H new ATOM 0 HB3 HIS A 135 23.427 -17.910 -4.949 1.00 0.00 H new ATOM 0 HD2 HIS A 135 25.485 -14.862 -6.478 1.00 0.00 H new ATOM 0 HE1 HIS A 135 28.180 -17.546 -4.730 1.00 0.00 H new ATOM 0 HE2 HIS A 135 28.013 -15.264 -5.883 1.00 0.00 H new ATOM 810 N ASN A 136 21.019 -17.982 -8.022 1.00 0.00 N ATOM 811 CA ASN A 136 19.737 -18.675 -8.144 1.00 0.00 C ATOM 812 C ASN A 136 19.695 -19.386 -9.477 1.00 0.00 C ATOM 813 O ASN A 136 19.659 -20.613 -9.541 1.00 0.00 O ATOM 814 CB ASN A 136 18.580 -17.674 -8.063 1.00 0.00 C ATOM 815 CG ASN A 136 18.192 -17.412 -6.625 1.00 0.00 C ATOM 816 OD1 ASN A 136 17.094 -17.757 -6.198 1.00 0.00 O ATOM 817 ND2 ASN A 136 19.094 -16.803 -5.879 1.00 0.00 N ATOM 0 H ASN A 136 21.183 -17.281 -8.745 1.00 0.00 H new ATOM 0 HA ASN A 136 19.635 -19.392 -7.330 1.00 0.00 H new ATOM 0 HB2 ASN A 136 18.869 -16.739 -8.542 1.00 0.00 H new ATOM 0 HB3 ASN A 136 17.721 -18.060 -8.611 1.00 0.00 H new ATOM 0 HD21 ASN A 136 18.893 -16.599 -4.900 1.00 0.00 H new ATOM 0 HD22 ASN A 136 19.993 -16.536 -6.281 1.00 0.00 H new ATOM 824 N HIS A 137 19.691 -18.591 -10.539 1.00 0.00 N ATOM 825 CA HIS A 137 19.625 -19.108 -11.901 1.00 0.00 C ATOM 826 C HIS A 137 21.036 -19.400 -12.424 1.00 0.00 C ATOM 827 O HIS A 137 21.847 -20.005 -11.725 1.00 0.00 O ATOM 828 CB HIS A 137 18.901 -18.088 -12.790 1.00 0.00 C ATOM 829 CG HIS A 137 17.680 -17.513 -12.135 1.00 0.00 C ATOM 830 ND1 HIS A 137 16.448 -18.155 -12.123 1.00 0.00 N ATOM 831 CD2 HIS A 137 17.480 -16.348 -11.455 1.00 0.00 C ATOM 832 CE1 HIS A 137 15.601 -17.350 -11.450 1.00 0.00 C ATOM 833 NE2 HIS A 137 16.171 -16.225 -11.013 1.00 0.00 N ATOM 0 H HIS A 137 19.733 -17.573 -10.482 1.00 0.00 H new ATOM 0 HA HIS A 137 19.067 -20.044 -11.916 1.00 0.00 H new ATOM 0 HB2 HIS A 137 19.588 -17.280 -13.042 1.00 0.00 H new ATOM 0 HB3 HIS A 137 18.615 -18.567 -13.726 1.00 0.00 H new ATOM 0 HD2 HIS A 137 18.249 -15.610 -11.281 1.00 0.00 H new ATOM 0 HE1 HIS A 137 14.562 -17.592 -11.281 1.00 0.00 H new ATOM 0 HE2 HIS A 137 15.748 -15.462 -10.484 1.00 0.00 H new ATOM 841 N LEU A 138 21.315 -18.963 -13.661 1.00 0.00 N ATOM 842 CA LEU A 138 22.606 -19.155 -14.304 1.00 0.00 C ATOM 843 C LEU A 138 23.748 -18.767 -13.358 1.00 0.00 C ATOM 844 O LEU A 138 23.777 -17.655 -12.835 1.00 0.00 O ATOM 845 CB LEU A 138 22.652 -18.315 -15.594 1.00 0.00 C ATOM 846 CG LEU A 138 22.215 -16.858 -15.319 1.00 0.00 C ATOM 847 CD1 LEU A 138 23.228 -15.899 -15.925 1.00 0.00 C ATOM 848 CD2 LEU A 138 20.840 -16.592 -15.943 1.00 0.00 C ATOM 0 H LEU A 138 20.640 -18.464 -14.240 1.00 0.00 H new ATOM 0 HA LEU A 138 22.733 -20.208 -14.555 1.00 0.00 H new ATOM 0 HB2 LEU A 138 23.662 -18.325 -16.003 1.00 0.00 H new ATOM 0 HB3 LEU A 138 21.999 -18.759 -16.345 1.00 0.00 H new ATOM 0 HG LEU A 138 22.158 -16.706 -14.241 1.00 0.00 H new ATOM 0 HD11 LEU A 138 22.919 -14.872 -15.730 1.00 0.00 H new ATOM 0 HD12 LEU A 138 24.207 -16.074 -15.479 1.00 0.00 H new ATOM 0 HD13 LEU A 138 23.286 -16.063 -17.001 1.00 0.00 H new ATOM 0 HD21 LEU A 138 20.543 -15.563 -15.743 1.00 0.00 H new ATOM 0 HD22 LEU A 138 20.892 -16.752 -17.020 1.00 0.00 H new ATOM 0 HD23 LEU A 138 20.106 -17.272 -15.510 1.00 0.00 H new ATOM 860 N ASN A 139 24.691 -19.695 -13.145 1.00 0.00 N ATOM 861 CA ASN A 139 25.830 -19.452 -12.273 1.00 0.00 C ATOM 862 C ASN A 139 27.101 -20.080 -12.862 1.00 0.00 C ATOM 863 O ASN A 139 27.702 -20.947 -12.234 1.00 0.00 O ATOM 864 CB ASN A 139 25.527 -20.031 -10.883 1.00 0.00 C ATOM 865 CG ASN A 139 26.534 -19.532 -9.846 1.00 0.00 C ATOM 866 OD1 ASN A 139 27.511 -20.210 -9.541 1.00 0.00 O ATOM 867 ND2 ASN A 139 26.289 -18.343 -9.302 1.00 0.00 N ATOM 0 H ASN A 139 24.680 -20.622 -13.570 1.00 0.00 H new ATOM 0 HA ASN A 139 26.001 -18.379 -12.185 1.00 0.00 H new ATOM 0 HB2 ASN A 139 24.519 -19.749 -10.580 1.00 0.00 H new ATOM 0 HB3 ASN A 139 25.554 -21.120 -10.926 1.00 0.00 H new ATOM 0 HD21 ASN A 139 26.925 -17.961 -8.602 1.00 0.00 H new ATOM 0 HD22 ASN A 139 25.465 -17.813 -9.585 1.00 0.00 H new ATOM 874 N PRO A 140 27.529 -19.641 -14.067 1.00 0.00 N ATOM 875 CA PRO A 140 28.755 -20.122 -14.667 1.00 0.00 C ATOM 876 C PRO A 140 29.919 -19.795 -13.735 1.00 0.00 C ATOM 877 O PRO A 140 30.577 -20.698 -13.218 1.00 0.00 O ATOM 878 CB PRO A 140 28.873 -19.405 -16.016 1.00 0.00 C ATOM 879 CG PRO A 140 27.749 -18.362 -16.059 1.00 0.00 C ATOM 880 CD PRO A 140 26.837 -18.651 -14.865 1.00 0.00 C ATOM 0 HA PRO A 140 28.763 -21.201 -14.821 1.00 0.00 H new ATOM 0 HB2 PRO A 140 29.848 -18.928 -16.117 1.00 0.00 H new ATOM 0 HB3 PRO A 140 28.777 -20.112 -16.840 1.00 0.00 H new ATOM 0 HG2 PRO A 140 28.155 -17.352 -16.000 1.00 0.00 H new ATOM 0 HG3 PRO A 140 27.194 -18.429 -16.995 1.00 0.00 H new ATOM 0 HD2 PRO A 140 26.650 -17.745 -14.288 1.00 0.00 H new ATOM 0 HD3 PRO A 140 25.868 -19.024 -15.195 1.00 0.00 H new ATOM 888 N GLU A 141 30.154 -18.497 -13.502 1.00 0.00 N ATOM 889 CA GLU A 141 31.176 -18.054 -12.571 1.00 0.00 C ATOM 890 C GLU A 141 30.594 -18.125 -11.159 1.00 0.00 C ATOM 891 O GLU A 141 30.373 -17.105 -10.516 1.00 0.00 O ATOM 892 CB GLU A 141 31.615 -16.621 -12.910 1.00 0.00 C ATOM 893 CG GLU A 141 32.469 -16.606 -14.187 1.00 0.00 C ATOM 894 CD GLU A 141 31.628 -16.857 -15.434 1.00 0.00 C ATOM 895 OE1 GLU A 141 30.534 -16.257 -15.515 1.00 0.00 O ATOM 896 OE2 GLU A 141 32.095 -17.644 -16.284 1.00 0.00 O ATOM 0 H GLU A 141 29.642 -17.739 -13.953 1.00 0.00 H new ATOM 0 HA GLU A 141 32.056 -18.694 -12.639 1.00 0.00 H new ATOM 0 HB2 GLU A 141 30.738 -15.988 -13.045 1.00 0.00 H new ATOM 0 HB3 GLU A 141 32.185 -16.203 -12.080 1.00 0.00 H new ATOM 0 HG2 GLU A 141 32.973 -15.643 -14.276 1.00 0.00 H new ATOM 0 HG3 GLU A 141 33.246 -17.367 -14.114 1.00 0.00 H new HETATM 903 N NH2 A 142 30.336 -19.336 -10.682 1.00 0.00 N TER 906 NH2 A 142