USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 555 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 12 GLN : amide:sc= -0.125 K(o=0.89,f=-0.82) USER MOD Set 1.2: A 15 HIS : no HE2:sc= 1.01 K(o=0.89,f=-6.9!) USER MOD Single : A 5 ASN : amide:sc= -1.22! K(o=-1.2!,f=-0.044) USER MOD Single : A 13 LYS NZ :NH3+ 157:sc= 0.716 (180deg=-0.782) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.509 X(o=-0.51,f=-0.8) USER MOD Single : A 24 THR OG1 : rot 79:sc= 1.25 USER MOD Single : A 25 TYR OH : rot 167:sc= -1.35! USER MOD Single : A 26 THR OG1 : rot -170:sc= 0.14 USER MOD Single : A 27 LYS NZ :NH3+ 175:sc= 1.27 (180deg=1.19) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -170:sc= 1.15 (180deg=0.767) USER MOD Single : A 32 LYS NZ :NH3+ 149:sc= -2.21! (180deg=-3.62!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.272 USER MOD Single : A 40 SER OG : rot -77:sc= 0.858 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -179:sc= 0.632 (180deg=0.631) USER MOD Single : A 57 ASN : amide:sc= -7.17! K(o=-7.2!,f=-0.15) USER MOD Single : A 61 GLN : amide:sc= -3.81! C(o=-3.8!,f=-1.9!) USER MOD Single : A 67 LYS NZ :NH3+ -112:sc= 2.02 (180deg=1.12) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 5 18.448 -5.771 -0.577 1.00 0.00 N ATOM 2 CA ASN A 5 17.858 -5.883 0.751 1.00 0.00 C ATOM 3 C ASN A 5 16.749 -4.869 0.900 1.00 0.00 C ATOM 4 O ASN A 5 15.615 -5.202 1.223 1.00 0.00 O ATOM 5 CB ASN A 5 18.911 -5.662 1.833 1.00 0.00 C ATOM 6 CG ASN A 5 18.366 -5.939 3.219 1.00 0.00 C ATOM 7 OD1 ASN A 5 18.738 -5.278 4.185 1.00 0.00 O ATOM 8 ND2 ASN A 5 17.499 -6.933 3.322 1.00 0.00 N ATOM 0 HA ASN A 5 17.452 -6.888 0.867 1.00 0.00 H new ATOM 0 HB2 ASN A 5 19.767 -6.310 1.644 1.00 0.00 H new ATOM 0 HB3 ASN A 5 19.272 -4.635 1.784 1.00 0.00 H new ATOM 0 HD21 ASN A 5 17.110 -7.178 4.232 1.00 0.00 H new ATOM 0 HD22 ASN A 5 17.219 -7.454 2.491 1.00 0.00 H new ATOM 15 N GLU A 6 17.111 -3.635 0.654 1.00 0.00 N ATOM 16 CA GLU A 6 16.179 -2.524 0.569 1.00 0.00 C ATOM 17 C GLU A 6 15.072 -2.824 -0.439 1.00 0.00 C ATOM 18 O GLU A 6 13.914 -2.466 -0.232 1.00 0.00 O ATOM 19 CB GLU A 6 16.979 -1.291 0.159 1.00 0.00 C ATOM 20 CG GLU A 6 18.332 -1.660 -0.445 1.00 0.00 C ATOM 21 CD GLU A 6 18.235 -2.214 -1.851 1.00 0.00 C ATOM 22 OE1 GLU A 6 18.095 -3.446 -1.990 1.00 0.00 O ATOM 23 OE2 GLU A 6 18.308 -1.432 -2.812 1.00 0.00 O ATOM 0 H GLU A 6 18.082 -3.362 0.503 1.00 0.00 H new ATOM 0 HA GLU A 6 15.692 -2.355 1.530 1.00 0.00 H new ATOM 0 HB2 GLU A 6 16.406 -0.711 -0.564 1.00 0.00 H new ATOM 0 HB3 GLU A 6 17.133 -0.653 1.029 1.00 0.00 H new ATOM 0 HG2 GLU A 6 18.970 -0.776 -0.454 1.00 0.00 H new ATOM 0 HG3 GLU A 6 18.818 -2.397 0.195 1.00 0.00 H new ATOM 30 N ARG A 7 15.443 -3.493 -1.523 1.00 0.00 N ATOM 31 CA ARG A 7 14.484 -3.967 -2.508 1.00 0.00 C ATOM 32 C ARG A 7 13.494 -4.915 -1.853 1.00 0.00 C ATOM 33 O ARG A 7 12.284 -4.747 -1.972 1.00 0.00 O ATOM 34 CB ARG A 7 15.202 -4.683 -3.650 1.00 0.00 C ATOM 35 CG ARG A 7 16.102 -3.769 -4.455 1.00 0.00 C ATOM 36 CD ARG A 7 15.391 -2.473 -4.793 1.00 0.00 C ATOM 37 NE ARG A 7 16.116 -1.693 -5.791 1.00 0.00 N ATOM 38 CZ ARG A 7 15.557 -1.173 -6.880 1.00 0.00 C ATOM 39 NH1 ARG A 7 14.275 -1.393 -7.140 1.00 0.00 N ATOM 40 NH2 ARG A 7 16.286 -0.447 -7.713 1.00 0.00 N ATOM 0 H ARG A 7 16.413 -3.721 -1.742 1.00 0.00 H new ATOM 0 HA ARG A 7 13.949 -3.108 -2.912 1.00 0.00 H new ATOM 0 HB2 ARG A 7 15.797 -5.500 -3.241 1.00 0.00 H new ATOM 0 HB3 ARG A 7 14.461 -5.129 -4.313 1.00 0.00 H new ATOM 0 HG2 ARG A 7 17.009 -3.555 -3.890 1.00 0.00 H new ATOM 0 HG3 ARG A 7 16.409 -4.270 -5.373 1.00 0.00 H new ATOM 0 HD2 ARG A 7 14.390 -2.695 -5.164 1.00 0.00 H new ATOM 0 HD3 ARG A 7 15.271 -1.879 -3.887 1.00 0.00 H new ATOM 0 HE ARG A 7 17.113 -1.537 -5.644 1.00 0.00 H new ATOM 0 HH11 ARG A 7 13.716 -1.962 -6.504 1.00 0.00 H new ATOM 0 HH12 ARG A 7 13.848 -0.993 -7.976 1.00 0.00 H new ATOM 0 HH21 ARG A 7 17.275 -0.287 -7.519 1.00 0.00 H new ATOM 0 HH22 ARG A 7 15.859 -0.047 -8.549 1.00 0.00 H new ATOM 54 N ARG A 8 14.035 -5.892 -1.130 1.00 0.00 N ATOM 55 CA ARG A 8 13.227 -6.897 -0.451 1.00 0.00 C ATOM 56 C ARG A 8 12.345 -6.240 0.607 1.00 0.00 C ATOM 57 O ARG A 8 11.196 -6.635 0.807 1.00 0.00 O ATOM 58 CB ARG A 8 14.133 -7.949 0.196 1.00 0.00 C ATOM 59 CG ARG A 8 13.400 -9.220 0.580 1.00 0.00 C ATOM 60 CD ARG A 8 12.828 -9.905 -0.647 1.00 0.00 C ATOM 61 NE ARG A 8 12.025 -11.077 -0.306 1.00 0.00 N ATOM 62 CZ ARG A 8 10.979 -11.500 -1.019 1.00 0.00 C ATOM 63 NH1 ARG A 8 10.594 -10.840 -2.107 1.00 0.00 N ATOM 64 NH2 ARG A 8 10.322 -12.591 -0.641 1.00 0.00 N ATOM 0 H ARG A 8 15.040 -6.008 -1.000 1.00 0.00 H new ATOM 0 HA ARG A 8 12.586 -7.386 -1.184 1.00 0.00 H new ATOM 0 HB2 ARG A 8 14.939 -8.198 -0.494 1.00 0.00 H new ATOM 0 HB3 ARG A 8 14.595 -7.522 1.086 1.00 0.00 H new ATOM 0 HG2 ARG A 8 14.082 -9.897 1.095 1.00 0.00 H new ATOM 0 HG3 ARG A 8 12.597 -8.985 1.278 1.00 0.00 H new ATOM 0 HD2 ARG A 8 12.214 -9.196 -1.203 1.00 0.00 H new ATOM 0 HD3 ARG A 8 13.643 -10.205 -1.305 1.00 0.00 H new ATOM 0 HE ARG A 8 12.280 -11.605 0.529 1.00 0.00 H new ATOM 0 HH11 ARG A 8 11.099 -10.004 -2.402 1.00 0.00 H new ATOM 0 HH12 ARG A 8 9.794 -11.169 -2.647 1.00 0.00 H new ATOM 0 HH21 ARG A 8 10.618 -13.102 0.191 1.00 0.00 H new ATOM 0 HH22 ARG A 8 9.522 -12.918 -1.183 1.00 0.00 H new ATOM 78 N ILE A 9 12.895 -5.237 1.278 1.00 0.00 N ATOM 79 CA ILE A 9 12.152 -4.459 2.249 1.00 0.00 C ATOM 80 C ILE A 9 10.984 -3.734 1.582 1.00 0.00 C ATOM 81 O ILE A 9 9.853 -3.786 2.063 1.00 0.00 O ATOM 82 CB ILE A 9 13.078 -3.434 2.931 1.00 0.00 C ATOM 83 CG1 ILE A 9 14.054 -4.142 3.864 1.00 0.00 C ATOM 84 CG2 ILE A 9 12.269 -2.387 3.690 1.00 0.00 C ATOM 85 CD1 ILE A 9 15.117 -3.220 4.411 1.00 0.00 C ATOM 0 H ILE A 9 13.865 -4.944 1.162 1.00 0.00 H new ATOM 0 HA ILE A 9 11.756 -5.142 3.001 1.00 0.00 H new ATOM 0 HB ILE A 9 13.648 -2.920 2.157 1.00 0.00 H new ATOM 0 HG12 ILE A 9 13.501 -4.583 4.693 1.00 0.00 H new ATOM 0 HG13 ILE A 9 14.532 -4.962 3.328 1.00 0.00 H new ATOM 0 HG21 ILE A 9 12.947 -1.676 4.162 1.00 0.00 H new ATOM 0 HG22 ILE A 9 11.615 -1.859 2.996 1.00 0.00 H new ATOM 0 HG23 ILE A 9 11.667 -2.877 4.455 1.00 0.00 H new ATOM 0 HD11 ILE A 9 15.782 -3.781 5.068 1.00 0.00 H new ATOM 0 HD12 ILE A 9 15.692 -2.799 3.587 1.00 0.00 H new ATOM 0 HD13 ILE A 9 14.645 -2.414 4.974 1.00 0.00 H new ATOM 97 N LEU A 10 11.268 -3.077 0.465 1.00 0.00 N ATOM 98 CA LEU A 10 10.284 -2.286 -0.249 1.00 0.00 C ATOM 99 C LEU A 10 9.157 -3.153 -0.815 1.00 0.00 C ATOM 100 O LEU A 10 7.988 -2.786 -0.723 1.00 0.00 O ATOM 101 CB LEU A 10 10.985 -1.522 -1.371 1.00 0.00 C ATOM 102 CG LEU A 10 10.163 -0.427 -2.046 1.00 0.00 C ATOM 103 CD1 LEU A 10 9.929 0.725 -1.084 1.00 0.00 C ATOM 104 CD2 LEU A 10 10.867 0.061 -3.297 1.00 0.00 C ATOM 0 H LEU A 10 12.191 -3.080 0.030 1.00 0.00 H new ATOM 0 HA LEU A 10 9.826 -1.587 0.450 1.00 0.00 H new ATOM 0 HB2 LEU A 10 11.892 -1.072 -0.967 1.00 0.00 H new ATOM 0 HB3 LEU A 10 11.296 -2.237 -2.132 1.00 0.00 H new ATOM 0 HG LEU A 10 9.196 -0.841 -2.331 1.00 0.00 H new ATOM 0 HD11 LEU A 10 9.342 1.499 -1.579 1.00 0.00 H new ATOM 0 HD12 LEU A 10 9.390 0.364 -0.208 1.00 0.00 H new ATOM 0 HD13 LEU A 10 10.888 1.140 -0.774 1.00 0.00 H new ATOM 0 HD21 LEU A 10 10.271 0.842 -3.769 1.00 0.00 H new ATOM 0 HD22 LEU A 10 11.845 0.462 -3.031 1.00 0.00 H new ATOM 0 HD23 LEU A 10 10.992 -0.770 -3.991 1.00 0.00 H new ATOM 116 N GLU A 11 9.503 -4.305 -1.384 1.00 0.00 N ATOM 117 CA GLU A 11 8.510 -5.160 -2.038 1.00 0.00 C ATOM 118 C GLU A 11 7.720 -5.985 -1.026 1.00 0.00 C ATOM 119 O GLU A 11 6.569 -6.348 -1.272 1.00 0.00 O ATOM 120 CB GLU A 11 9.170 -6.071 -3.074 1.00 0.00 C ATOM 121 CG GLU A 11 10.250 -6.973 -2.511 1.00 0.00 C ATOM 122 CD GLU A 11 10.972 -7.758 -3.586 1.00 0.00 C ATOM 123 OE1 GLU A 11 10.864 -7.390 -4.776 1.00 0.00 O ATOM 124 OE2 GLU A 11 11.661 -8.740 -3.242 1.00 0.00 O ATOM 0 H GLU A 11 10.456 -4.668 -1.407 1.00 0.00 H new ATOM 0 HA GLU A 11 7.807 -4.504 -2.551 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.402 -6.689 -3.539 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.602 -5.453 -3.861 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.972 -6.370 -1.960 1.00 0.00 H new ATOM 0 HG3 GLU A 11 9.804 -7.666 -1.798 1.00 0.00 H new ATOM 131 N GLN A 12 8.323 -6.286 0.114 1.00 0.00 N ATOM 132 CA GLN A 12 7.592 -6.948 1.179 1.00 0.00 C ATOM 133 C GLN A 12 6.701 -5.938 1.879 1.00 0.00 C ATOM 134 O GLN A 12 5.602 -6.263 2.330 1.00 0.00 O ATOM 135 CB GLN A 12 8.536 -7.596 2.189 1.00 0.00 C ATOM 136 CG GLN A 12 7.805 -8.500 3.171 1.00 0.00 C ATOM 137 CD GLN A 12 7.035 -9.611 2.475 1.00 0.00 C ATOM 138 OE1 GLN A 12 5.957 -10.010 2.914 1.00 0.00 O ATOM 139 NE2 GLN A 12 7.595 -10.136 1.394 1.00 0.00 N ATOM 0 H GLN A 12 9.301 -6.086 0.322 1.00 0.00 H new ATOM 0 HA GLN A 12 6.985 -7.739 0.738 1.00 0.00 H new ATOM 0 HB2 GLN A 12 9.290 -8.177 1.657 1.00 0.00 H new ATOM 0 HB3 GLN A 12 9.064 -6.818 2.740 1.00 0.00 H new ATOM 0 HG2 GLN A 12 8.525 -8.939 3.862 1.00 0.00 H new ATOM 0 HG3 GLN A 12 7.115 -7.902 3.767 1.00 0.00 H new ATOM 0 HE21 GLN A 12 8.490 -9.779 1.059 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.131 -10.896 0.897 1.00 0.00 H new ATOM 148 N LYS A 13 7.185 -4.706 1.955 1.00 0.00 N ATOM 149 CA LYS A 13 6.396 -3.606 2.476 1.00 0.00 C ATOM 150 C LYS A 13 5.235 -3.356 1.528 1.00 0.00 C ATOM 151 O LYS A 13 4.119 -3.081 1.956 1.00 0.00 O ATOM 152 CB LYS A 13 7.253 -2.347 2.618 1.00 0.00 C ATOM 153 CG LYS A 13 6.690 -1.336 3.598 1.00 0.00 C ATOM 154 CD LYS A 13 7.704 -0.242 3.870 1.00 0.00 C ATOM 155 CE LYS A 13 7.327 0.610 5.069 1.00 0.00 C ATOM 156 NZ LYS A 13 7.106 -0.209 6.291 1.00 0.00 N ATOM 0 H LYS A 13 8.126 -4.446 1.660 1.00 0.00 H new ATOM 0 HA LYS A 13 6.018 -3.861 3.466 1.00 0.00 H new ATOM 0 HB2 LYS A 13 8.254 -2.634 2.940 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.355 -1.875 1.641 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.775 -0.901 3.196 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.423 -1.833 4.530 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.683 -0.691 4.040 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.794 0.394 2.989 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.116 1.337 5.259 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.422 1.174 4.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.237 0.384 7.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.138 -0.590 6.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.787 -0.994 6.310 1.00 0.00 H new ATOM 170 N LYS A 14 5.526 -3.472 0.230 1.00 0.00 N ATOM 171 CA LYS A 14 4.507 -3.470 -0.808 1.00 0.00 C ATOM 172 C LYS A 14 3.456 -4.536 -0.508 1.00 0.00 C ATOM 173 O LYS A 14 2.256 -4.270 -0.541 1.00 0.00 O ATOM 174 CB LYS A 14 5.155 -3.765 -2.164 1.00 0.00 C ATOM 175 CG LYS A 14 4.221 -3.540 -3.339 1.00 0.00 C ATOM 176 CD LYS A 14 4.847 -3.938 -4.669 1.00 0.00 C ATOM 177 CE LYS A 14 5.516 -2.765 -5.372 1.00 0.00 C ATOM 178 NZ LYS A 14 5.952 -3.138 -6.743 1.00 0.00 N ATOM 0 H LYS A 14 6.477 -3.570 -0.125 1.00 0.00 H new ATOM 0 HA LYS A 14 4.029 -2.491 -0.835 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.035 -3.133 -2.283 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.500 -4.799 -2.176 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.306 -4.113 -3.186 1.00 0.00 H new ATOM 0 HG3 LYS A 14 3.936 -2.489 -3.376 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.583 -4.724 -4.500 1.00 0.00 H new ATOM 0 HD3 LYS A 14 4.078 -4.356 -5.318 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.823 -1.925 -5.424 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.377 -2.433 -4.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.404 -2.320 -7.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.631 -3.924 -6.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.126 -3.432 -7.302 1.00 0.00 H new ATOM 192 N HIS A 15 3.925 -5.743 -0.185 1.00 0.00 N ATOM 193 CA HIS A 15 3.033 -6.859 0.106 1.00 0.00 C ATOM 194 C HIS A 15 2.195 -6.573 1.345 1.00 0.00 C ATOM 195 O HIS A 15 0.992 -6.799 1.351 1.00 0.00 O ATOM 196 CB HIS A 15 3.817 -8.170 0.289 1.00 0.00 C ATOM 197 CG HIS A 15 2.967 -9.318 0.761 1.00 0.00 C ATOM 198 ND1 HIS A 15 3.386 -10.230 1.709 1.00 0.00 N ATOM 199 CD2 HIS A 15 1.710 -9.692 0.416 1.00 0.00 C ATOM 200 CE1 HIS A 15 2.422 -11.108 1.928 1.00 0.00 C ATOM 201 NE2 HIS A 15 1.400 -10.802 1.155 1.00 0.00 N ATOM 0 H HIS A 15 4.917 -5.969 -0.119 1.00 0.00 H new ATOM 0 HA HIS A 15 2.367 -6.977 -0.749 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.284 -8.440 -0.658 1.00 0.00 H new ATOM 0 HB3 HIS A 15 4.622 -8.006 1.006 1.00 0.00 H new ATOM 0 HD1 HIS A 15 4.297 -10.227 2.168 1.00 0.00 H new ATOM 0 HD2 HIS A 15 1.072 -9.205 -0.307 1.00 0.00 H new ATOM 0 HE1 HIS A 15 2.465 -11.935 2.622 1.00 0.00 H new ATOM 210 N TYR A 16 2.827 -6.076 2.390 1.00 0.00 N ATOM 211 CA TYR A 16 2.124 -5.815 3.633 1.00 0.00 C ATOM 212 C TYR A 16 1.243 -4.577 3.543 1.00 0.00 C ATOM 213 O TYR A 16 0.346 -4.392 4.359 1.00 0.00 O ATOM 214 CB TYR A 16 3.104 -5.727 4.795 1.00 0.00 C ATOM 215 CG TYR A 16 3.488 -7.098 5.290 1.00 0.00 C ATOM 216 CD1 TYR A 16 2.512 -8.070 5.449 1.00 0.00 C ATOM 217 CD2 TYR A 16 4.804 -7.427 5.592 1.00 0.00 C ATOM 218 CE1 TYR A 16 2.828 -9.331 5.892 1.00 0.00 C ATOM 219 CE2 TYR A 16 5.130 -8.695 6.039 1.00 0.00 C ATOM 220 CZ TYR A 16 4.137 -9.642 6.185 1.00 0.00 C ATOM 221 OH TYR A 16 4.455 -10.907 6.621 1.00 0.00 O ATOM 0 H TYR A 16 3.820 -5.845 2.405 1.00 0.00 H new ATOM 0 HA TYR A 16 1.456 -6.656 3.818 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.997 -5.188 4.480 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.657 -5.156 5.609 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.484 -7.831 5.220 1.00 0.00 H new ATOM 0 HD2 TYR A 16 5.580 -6.685 5.477 1.00 0.00 H new ATOM 0 HE1 TYR A 16 2.054 -10.075 6.010 1.00 0.00 H new ATOM 0 HE2 TYR A 16 6.155 -8.942 6.272 1.00 0.00 H new ATOM 0 HH TYR A 16 5.420 -10.964 6.783 1.00 0.00 H new ATOM 231 N PHE A 17 1.473 -3.752 2.537 1.00 0.00 N ATOM 232 CA PHE A 17 0.583 -2.649 2.246 1.00 0.00 C ATOM 233 C PHE A 17 -0.649 -3.169 1.516 1.00 0.00 C ATOM 234 O PHE A 17 -1.728 -2.613 1.631 1.00 0.00 O ATOM 235 CB PHE A 17 1.280 -1.606 1.392 1.00 0.00 C ATOM 236 CG PHE A 17 0.467 -0.367 1.216 1.00 0.00 C ATOM 237 CD1 PHE A 17 0.119 0.388 2.316 1.00 0.00 C ATOM 238 CD2 PHE A 17 0.043 0.036 -0.041 1.00 0.00 C ATOM 239 CE1 PHE A 17 -0.639 1.531 2.176 1.00 0.00 C ATOM 240 CE2 PHE A 17 -0.714 1.179 -0.188 1.00 0.00 C ATOM 241 CZ PHE A 17 -1.057 1.929 0.922 1.00 0.00 C ATOM 0 H PHE A 17 2.272 -3.828 1.908 1.00 0.00 H new ATOM 0 HA PHE A 17 0.286 -2.184 3.186 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.235 -1.347 1.850 1.00 0.00 H new ATOM 0 HB3 PHE A 17 1.501 -2.032 0.414 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.444 0.080 3.299 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.307 -0.549 -0.910 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.905 2.114 3.045 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.039 1.489 -1.170 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.651 2.824 0.808 1.00 0.00 H new ATOM 251 N TRP A 18 -0.471 -4.252 0.772 1.00 0.00 N ATOM 252 CA TRP A 18 -1.592 -4.932 0.110 1.00 0.00 C ATOM 253 C TRP A 18 -2.303 -5.777 1.139 1.00 0.00 C ATOM 254 O TRP A 18 -3.508 -5.967 1.091 1.00 0.00 O ATOM 255 CB TRP A 18 -1.081 -5.803 -1.043 1.00 0.00 C ATOM 256 CG TRP A 18 -2.127 -6.475 -1.919 1.00 0.00 C ATOM 257 CD1 TRP A 18 -1.879 -7.543 -2.730 1.00 0.00 C ATOM 258 CD2 TRP A 18 -3.537 -6.152 -2.120 1.00 0.00 C ATOM 259 NE1 TRP A 18 -3.005 -7.893 -3.425 1.00 0.00 N ATOM 260 CE2 TRP A 18 -4.030 -7.076 -3.067 1.00 0.00 C ATOM 261 CE3 TRP A 18 -4.433 -5.192 -1.609 1.00 0.00 C ATOM 262 CZ2 TRP A 18 -5.348 -7.069 -3.513 1.00 0.00 C ATOM 263 CZ3 TRP A 18 -5.752 -5.194 -2.067 1.00 0.00 C ATOM 264 CH2 TRP A 18 -6.188 -6.127 -3.007 1.00 0.00 C ATOM 0 H TRP A 18 0.438 -4.684 0.607 1.00 0.00 H new ATOM 0 HA TRP A 18 -2.281 -4.199 -0.309 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -0.452 -5.183 -1.682 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -0.442 -6.580 -0.623 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -0.926 -8.044 -2.812 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -3.065 -8.650 -4.106 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -4.106 -4.468 -0.877 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -5.693 -7.790 -4.239 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -6.447 -4.460 -1.686 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -7.215 -6.101 -3.340 1.00 0.00 H new ATOM 275 N LEU A 19 -1.537 -6.251 2.103 1.00 0.00 N ATOM 276 CA LEU A 19 -2.082 -6.989 3.219 1.00 0.00 C ATOM 277 C LEU A 19 -2.907 -6.009 4.034 1.00 0.00 C ATOM 278 O LEU A 19 -3.947 -6.340 4.609 1.00 0.00 O ATOM 279 CB LEU A 19 -0.935 -7.566 4.055 1.00 0.00 C ATOM 280 CG LEU A 19 -1.245 -8.845 4.828 1.00 0.00 C ATOM 281 CD1 LEU A 19 -0.460 -10.010 4.250 1.00 0.00 C ATOM 282 CD2 LEU A 19 -0.906 -8.672 6.296 1.00 0.00 C ATOM 0 H LEU A 19 -0.524 -6.134 2.132 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.704 -7.821 2.888 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.092 -7.761 3.392 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.612 -6.805 4.766 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.311 -9.054 4.736 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.689 -10.917 4.810 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.734 -10.150 3.204 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.607 -9.800 4.321 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.133 -9.593 6.833 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.155 -8.443 6.400 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.496 -7.855 6.712 1.00 0.00 H new ATOM 294 N LEU A 20 -2.430 -4.779 4.018 1.00 0.00 N ATOM 295 CA LEU A 20 -3.061 -3.671 4.708 1.00 0.00 C ATOM 296 C LEU A 20 -4.290 -3.191 3.929 1.00 0.00 C ATOM 297 O LEU A 20 -5.393 -3.104 4.472 1.00 0.00 O ATOM 298 CB LEU A 20 -2.024 -2.542 4.830 1.00 0.00 C ATOM 299 CG LEU A 20 -2.225 -1.533 5.955 1.00 0.00 C ATOM 300 CD1 LEU A 20 -3.575 -0.840 5.833 1.00 0.00 C ATOM 301 CD2 LEU A 20 -2.057 -2.217 7.309 1.00 0.00 C ATOM 0 H LEU A 20 -1.580 -4.518 3.518 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.397 -3.981 5.698 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.042 -2.997 4.955 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.005 -1.997 3.886 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.462 -0.759 5.873 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.692 -0.126 6.648 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.630 -0.315 4.879 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.371 -1.583 5.884 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.203 -1.487 8.106 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.794 -3.014 7.408 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.054 -2.639 7.382 1.00 0.00 H new ATOM 313 N LEU A 21 -4.096 -2.927 2.644 1.00 0.00 N ATOM 314 CA LEU A 21 -5.121 -2.372 1.799 1.00 0.00 C ATOM 315 C LEU A 21 -6.214 -3.432 1.559 1.00 0.00 C ATOM 316 O LEU A 21 -7.385 -3.095 1.423 1.00 0.00 O ATOM 317 CB LEU A 21 -4.428 -1.899 0.500 1.00 0.00 C ATOM 318 CG LEU A 21 -5.135 -0.860 -0.394 1.00 0.00 C ATOM 319 CD1 LEU A 21 -6.644 -0.876 -0.259 1.00 0.00 C ATOM 320 CD2 LEU A 21 -4.579 0.517 -0.101 1.00 0.00 C ATOM 0 H LEU A 21 -3.212 -3.097 2.164 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.623 -1.518 2.254 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.457 -1.487 0.777 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.237 -2.782 -0.110 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.931 -1.131 -1.430 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.076 -0.121 -0.915 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.024 -1.859 -0.538 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.919 -0.660 0.773 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.078 1.253 -0.732 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.750 0.763 0.947 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.509 0.529 -0.307 1.00 0.00 H new ATOM 332 N GLN A 22 -5.843 -4.720 1.554 1.00 0.00 N ATOM 333 CA GLN A 22 -6.832 -5.791 1.364 1.00 0.00 C ATOM 334 C GLN A 22 -7.570 -6.112 2.663 1.00 0.00 C ATOM 335 O GLN A 22 -8.733 -6.516 2.631 1.00 0.00 O ATOM 336 CB GLN A 22 -6.196 -7.068 0.794 1.00 0.00 C ATOM 337 CG GLN A 22 -7.209 -8.152 0.459 1.00 0.00 C ATOM 338 CD GLN A 22 -6.654 -9.236 -0.453 1.00 0.00 C ATOM 339 OE1 GLN A 22 -7.395 -9.821 -1.242 1.00 0.00 O ATOM 340 NE2 GLN A 22 -5.359 -9.508 -0.360 1.00 0.00 N ATOM 0 H GLN A 22 -4.883 -5.042 1.677 1.00 0.00 H new ATOM 0 HA GLN A 22 -7.553 -5.417 0.637 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -5.635 -6.815 -0.106 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -5.480 -7.461 1.516 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -7.559 -8.610 1.384 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -8.075 -7.694 -0.018 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -4.778 -9.000 0.307 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -4.944 -10.225 -0.956 1.00 0.00 H new ATOM 349 N ARG A 23 -6.901 -5.957 3.806 1.00 0.00 N ATOM 350 CA ARG A 23 -7.572 -6.172 5.085 1.00 0.00 C ATOM 351 C ARG A 23 -8.624 -5.091 5.286 1.00 0.00 C ATOM 352 O ARG A 23 -9.695 -5.342 5.837 1.00 0.00 O ATOM 353 CB ARG A 23 -6.587 -6.169 6.270 1.00 0.00 C ATOM 354 CG ARG A 23 -6.430 -4.808 6.949 1.00 0.00 C ATOM 355 CD ARG A 23 -5.655 -4.892 8.237 1.00 0.00 C ATOM 356 NE ARG A 23 -4.239 -5.035 8.010 1.00 0.00 N ATOM 357 CZ ARG A 23 -3.343 -4.904 8.952 1.00 0.00 C ATOM 358 NH1 ARG A 23 -3.707 -4.694 10.212 1.00 0.00 N ATOM 359 NH2 ARG A 23 -2.081 -4.997 8.634 1.00 0.00 N ATOM 0 H ARG A 23 -5.919 -5.690 3.872 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.039 -7.157 5.056 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -6.923 -6.895 7.010 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.611 -6.502 5.918 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.925 -4.122 6.269 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.416 -4.389 7.149 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -5.838 -3.995 8.829 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -6.015 -5.738 8.822 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.920 -5.250 7.065 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.696 -4.633 10.454 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -2.997 -4.594 10.938 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.810 -5.169 7.666 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.365 -4.898 9.354 1.00 0.00 H new ATOM 373 N THR A 24 -8.306 -3.894 4.817 1.00 0.00 N ATOM 374 CA THR A 24 -9.194 -2.768 4.960 1.00 0.00 C ATOM 375 C THR A 24 -10.242 -2.781 3.863 1.00 0.00 C ATOM 376 O THR A 24 -11.429 -2.936 4.128 1.00 0.00 O ATOM 377 CB THR A 24 -8.421 -1.439 4.915 1.00 0.00 C ATOM 378 OG1 THR A 24 -7.255 -1.525 5.747 1.00 0.00 O ATOM 379 CG2 THR A 24 -9.310 -0.305 5.391 1.00 0.00 C ATOM 0 H THR A 24 -7.433 -3.685 4.333 1.00 0.00 H new ATOM 0 HA THR A 24 -9.682 -2.853 5.931 1.00 0.00 H new ATOM 0 HB THR A 24 -8.114 -1.242 3.888 1.00 0.00 H new ATOM 0 HG1 THR A 24 -6.552 -2.019 5.275 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.754 0.632 5.356 1.00 0.00 H new ATOM 0 HG22 THR A 24 -10.185 -0.233 4.745 1.00 0.00 H new ATOM 0 HG23 THR A 24 -9.630 -0.499 6.415 1.00 0.00 H new ATOM 387 N TYR A 25 -9.794 -2.637 2.624 1.00 0.00 N ATOM 388 CA TYR A 25 -10.696 -2.663 1.493 1.00 0.00 C ATOM 389 C TYR A 25 -10.659 -4.045 0.867 1.00 0.00 C ATOM 390 O TYR A 25 -9.839 -4.330 -0.015 1.00 0.00 O ATOM 391 CB TYR A 25 -10.340 -1.575 0.473 1.00 0.00 C ATOM 392 CG TYR A 25 -10.207 -0.186 1.077 1.00 0.00 C ATOM 393 CD1 TYR A 25 -10.846 0.158 2.266 1.00 0.00 C ATOM 394 CD2 TYR A 25 -9.428 0.779 0.459 1.00 0.00 C ATOM 395 CE1 TYR A 25 -10.706 1.419 2.814 1.00 0.00 C ATOM 396 CE2 TYR A 25 -9.281 2.041 1.005 1.00 0.00 C ATOM 397 CZ TYR A 25 -9.922 2.353 2.177 1.00 0.00 C ATOM 398 OH TYR A 25 -9.762 3.603 2.716 1.00 0.00 O ATOM 0 H TYR A 25 -8.813 -2.501 2.382 1.00 0.00 H new ATOM 0 HA TYR A 25 -11.710 -2.452 1.834 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -9.402 -1.840 -0.014 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -11.106 -1.552 -0.302 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -11.462 -0.573 2.768 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -8.926 0.541 -0.467 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -11.209 1.670 3.736 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -8.664 2.777 0.511 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.021 4.060 2.267 1.00 0.00 H new ATOM 408 N THR A 26 -11.529 -4.903 1.372 1.00 0.00 N ATOM 409 CA THR A 26 -11.569 -6.302 0.996 1.00 0.00 C ATOM 410 C THR A 26 -12.114 -6.510 -0.416 1.00 0.00 C ATOM 411 O THR A 26 -12.309 -5.560 -1.174 1.00 0.00 O ATOM 412 CB THR A 26 -12.450 -7.072 1.991 1.00 0.00 C ATOM 413 OG1 THR A 26 -12.978 -6.159 2.965 1.00 0.00 O ATOM 414 CG2 THR A 26 -11.659 -8.167 2.686 1.00 0.00 C ATOM 0 H THR A 26 -12.234 -4.643 2.062 1.00 0.00 H new ATOM 0 HA THR A 26 -10.545 -6.674 1.015 1.00 0.00 H new ATOM 0 HB THR A 26 -13.267 -7.540 1.442 1.00 0.00 H new ATOM 0 HG1 THR A 26 -13.407 -6.663 3.687 1.00 0.00 H new ATOM 0 HG21 THR A 26 -12.307 -8.696 3.385 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.277 -8.868 1.943 1.00 0.00 H new ATOM 0 HG23 THR A 26 -10.824 -7.724 3.229 1.00 0.00 H new ATOM 422 N LYS A 27 -12.331 -7.771 -0.763 1.00 0.00 N ATOM 423 CA LYS A 27 -12.911 -8.135 -2.042 1.00 0.00 C ATOM 424 C LYS A 27 -14.365 -7.674 -2.136 1.00 0.00 C ATOM 425 O LYS A 27 -14.838 -7.298 -3.207 1.00 0.00 O ATOM 426 CB LYS A 27 -12.824 -9.648 -2.227 1.00 0.00 C ATOM 427 CG LYS A 27 -11.545 -10.239 -1.662 1.00 0.00 C ATOM 428 CD LYS A 27 -11.203 -11.562 -2.326 1.00 0.00 C ATOM 429 CE LYS A 27 -9.834 -12.071 -1.904 1.00 0.00 C ATOM 430 NZ LYS A 27 -9.495 -13.354 -2.570 1.00 0.00 N ATOM 0 H LYS A 27 -12.109 -8.567 -0.165 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.351 -7.638 -2.834 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -13.680 -10.118 -1.743 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.889 -9.884 -3.289 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.724 -9.536 -1.804 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.655 -10.387 -0.588 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.960 -12.303 -2.070 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.228 -11.442 -3.409 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -9.078 -11.324 -2.146 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.814 -12.206 -0.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.522 -13.626 -2.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.153 -14.094 -2.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.572 -13.241 -3.601 1.00 0.00 H new ATOM 444 N THR A 28 -15.066 -7.702 -1.006 1.00 0.00 N ATOM 445 CA THR A 28 -16.466 -7.306 -0.972 1.00 0.00 C ATOM 446 C THR A 28 -16.767 -6.395 0.224 1.00 0.00 C ATOM 447 O THR A 28 -17.602 -5.494 0.119 1.00 0.00 O ATOM 448 CB THR A 28 -17.394 -8.545 -0.942 1.00 0.00 C ATOM 449 OG1 THR A 28 -18.771 -8.141 -0.906 1.00 0.00 O ATOM 450 CG2 THR A 28 -17.090 -9.432 0.258 1.00 0.00 C ATOM 0 H THR A 28 -14.687 -7.994 -0.105 1.00 0.00 H new ATOM 0 HA THR A 28 -16.662 -6.743 -1.885 1.00 0.00 H new ATOM 0 HB THR A 28 -17.210 -9.117 -1.851 1.00 0.00 H new ATOM 0 HG1 THR A 28 -19.345 -8.935 -0.889 1.00 0.00 H new ATOM 0 HG21 THR A 28 -17.758 -10.294 0.252 1.00 0.00 H new ATOM 0 HG22 THR A 28 -16.056 -9.773 0.205 1.00 0.00 H new ATOM 0 HG23 THR A 28 -17.238 -8.865 1.177 1.00 0.00 H new ATOM 458 N GLY A 29 -16.096 -6.643 1.354 1.00 0.00 N ATOM 459 CA GLY A 29 -16.274 -5.842 2.536 1.00 0.00 C ATOM 460 C GLY A 29 -16.191 -4.348 2.279 1.00 0.00 C ATOM 461 O GLY A 29 -17.159 -3.615 2.488 1.00 0.00 O ATOM 0 H GLY A 29 -15.423 -7.402 1.459 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.243 -6.072 2.978 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -15.516 -6.118 3.269 1.00 0.00 H new ATOM 465 N LYS A 30 -15.034 -3.897 1.826 1.00 0.00 N ATOM 466 CA LYS A 30 -14.831 -2.495 1.494 1.00 0.00 C ATOM 467 C LYS A 30 -14.334 -2.374 0.064 1.00 0.00 C ATOM 468 O LYS A 30 -13.295 -2.930 -0.283 1.00 0.00 O ATOM 469 CB LYS A 30 -13.827 -1.858 2.454 1.00 0.00 C ATOM 470 CG LYS A 30 -14.338 -1.727 3.878 1.00 0.00 C ATOM 471 CD LYS A 30 -15.094 -0.427 4.094 1.00 0.00 C ATOM 472 CE LYS A 30 -14.183 0.775 3.909 1.00 0.00 C ATOM 473 NZ LYS A 30 -14.762 2.018 4.478 1.00 0.00 N ATOM 0 H LYS A 30 -14.214 -4.486 1.678 1.00 0.00 H new ATOM 0 HA LYS A 30 -15.781 -1.970 1.590 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -12.915 -2.454 2.459 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.560 -0.869 2.082 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -14.991 -2.569 4.108 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -13.498 -1.777 4.571 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -15.927 -0.367 3.393 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -15.520 -0.413 5.097 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -13.222 0.575 4.383 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -13.990 0.921 2.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -14.190 2.835 4.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -15.737 2.135 4.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -14.765 1.956 5.516 1.00 0.00 H new ATOM 487 N PRO A 31 -15.081 -1.660 -0.783 1.00 0.00 N ATOM 488 CA PRO A 31 -14.720 -1.477 -2.188 1.00 0.00 C ATOM 489 C PRO A 31 -13.318 -0.921 -2.364 1.00 0.00 C ATOM 490 O PRO A 31 -12.961 0.092 -1.755 1.00 0.00 O ATOM 491 CB PRO A 31 -15.744 -0.460 -2.697 1.00 0.00 C ATOM 492 CG PRO A 31 -16.908 -0.600 -1.779 1.00 0.00 C ATOM 493 CD PRO A 31 -16.341 -0.981 -0.441 1.00 0.00 C ATOM 0 HA PRO A 31 -14.728 -2.426 -2.725 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -15.341 0.553 -2.673 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -16.027 -0.666 -3.729 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -17.467 0.333 -1.714 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -17.600 -1.361 -2.140 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.168 -0.106 0.186 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -17.015 -1.638 0.108 1.00 0.00 H new ATOM 501 N LYS A 32 -12.509 -1.610 -3.161 1.00 0.00 N ATOM 502 CA LYS A 32 -11.253 -1.050 -3.604 1.00 0.00 C ATOM 503 C LYS A 32 -11.570 0.237 -4.359 1.00 0.00 C ATOM 504 O LYS A 32 -12.257 0.222 -5.378 1.00 0.00 O ATOM 505 CB LYS A 32 -10.469 -2.065 -4.458 1.00 0.00 C ATOM 506 CG LYS A 32 -9.140 -1.545 -4.998 1.00 0.00 C ATOM 507 CD LYS A 32 -7.953 -2.383 -4.523 1.00 0.00 C ATOM 508 CE LYS A 32 -7.797 -2.355 -3.006 1.00 0.00 C ATOM 509 NZ LYS A 32 -8.680 -3.340 -2.310 1.00 0.00 N ATOM 0 H LYS A 32 -12.705 -2.549 -3.507 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.606 -0.819 -2.758 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.280 -2.955 -3.859 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.092 -2.373 -5.298 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.168 -1.544 -6.088 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.002 -0.511 -4.682 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.083 -3.413 -4.854 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.039 -2.011 -4.987 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.758 -2.562 -2.749 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -8.022 -1.353 -2.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.217 -3.665 -1.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.586 -2.887 -2.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -8.852 -4.154 -2.935 1.00 0.00 H new ATOM 523 N PRO A 33 -11.081 1.360 -3.823 1.00 0.00 N ATOM 524 CA PRO A 33 -11.483 2.736 -4.202 1.00 0.00 C ATOM 525 C PRO A 33 -11.464 3.030 -5.698 1.00 0.00 C ATOM 526 O PRO A 33 -10.717 2.419 -6.460 1.00 0.00 O ATOM 527 CB PRO A 33 -10.414 3.557 -3.472 1.00 0.00 C ATOM 528 CG PRO A 33 -10.198 2.763 -2.268 1.00 0.00 C ATOM 529 CD PRO A 33 -10.028 1.407 -2.800 1.00 0.00 C ATOM 0 HA PRO A 33 -12.519 2.947 -3.939 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -9.504 3.660 -4.063 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -10.760 4.565 -3.241 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -9.318 3.095 -1.717 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -11.045 2.826 -1.584 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.036 1.254 -3.225 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -10.167 0.645 -2.033 1.00 0.00 H new ATOM 537 N SER A 34 -12.285 3.995 -6.098 1.00 0.00 N ATOM 538 CA SER A 34 -12.355 4.425 -7.489 1.00 0.00 C ATOM 539 C SER A 34 -11.329 5.525 -7.732 1.00 0.00 C ATOM 540 O SER A 34 -11.155 6.016 -8.846 1.00 0.00 O ATOM 541 CB SER A 34 -13.759 4.937 -7.790 1.00 0.00 C ATOM 542 OG SER A 34 -14.730 4.068 -7.235 1.00 0.00 O ATOM 0 H SER A 34 -12.915 4.497 -5.473 1.00 0.00 H new ATOM 0 HA SER A 34 -12.135 3.584 -8.147 1.00 0.00 H new ATOM 0 HB2 SER A 34 -13.883 5.940 -7.381 1.00 0.00 H new ATOM 0 HB3 SER A 34 -13.902 5.012 -8.868 1.00 0.00 H new ATOM 0 HG SER A 34 -15.627 4.410 -7.434 1.00 0.00 H new ATOM 548 N THR A 35 -10.691 5.935 -6.647 1.00 0.00 N ATOM 549 CA THR A 35 -9.613 6.906 -6.678 1.00 0.00 C ATOM 550 C THR A 35 -8.769 6.731 -5.422 1.00 0.00 C ATOM 551 O THR A 35 -9.305 6.454 -4.347 1.00 0.00 O ATOM 552 CB THR A 35 -10.143 8.356 -6.737 1.00 0.00 C ATOM 553 OG1 THR A 35 -11.138 8.490 -7.762 1.00 0.00 O ATOM 554 CG2 THR A 35 -9.007 9.315 -7.022 1.00 0.00 C ATOM 0 H THR A 35 -10.911 5.598 -5.710 1.00 0.00 H new ATOM 0 HA THR A 35 -9.021 6.734 -7.577 1.00 0.00 H new ATOM 0 HB THR A 35 -10.590 8.592 -5.771 1.00 0.00 H new ATOM 0 HG1 THR A 35 -11.463 9.414 -7.784 1.00 0.00 H new ATOM 0 HG21 THR A 35 -9.392 10.334 -7.061 1.00 0.00 H new ATOM 0 HG22 THR A 35 -8.260 9.240 -6.232 1.00 0.00 H new ATOM 0 HG23 THR A 35 -8.549 9.063 -7.979 1.00 0.00 H new ATOM 562 N TRP A 36 -7.461 6.883 -5.545 1.00 0.00 N ATOM 563 CA TRP A 36 -6.579 6.718 -4.400 1.00 0.00 C ATOM 564 C TRP A 36 -6.761 7.872 -3.402 1.00 0.00 C ATOM 565 O TRP A 36 -6.397 7.763 -2.232 1.00 0.00 O ATOM 566 CB TRP A 36 -5.124 6.556 -4.865 1.00 0.00 C ATOM 567 CG TRP A 36 -4.098 6.831 -3.807 1.00 0.00 C ATOM 568 CD1 TRP A 36 -3.245 7.898 -3.750 1.00 0.00 C ATOM 569 CD2 TRP A 36 -3.814 6.025 -2.655 1.00 0.00 C ATOM 570 NE1 TRP A 36 -2.445 7.800 -2.638 1.00 0.00 N ATOM 571 CE2 TRP A 36 -2.779 6.663 -1.949 1.00 0.00 C ATOM 572 CE3 TRP A 36 -4.335 4.825 -2.148 1.00 0.00 C ATOM 573 CZ2 TRP A 36 -2.259 6.144 -0.770 1.00 0.00 C ATOM 574 CZ3 TRP A 36 -3.811 4.315 -0.978 1.00 0.00 C ATOM 575 CH2 TRP A 36 -2.783 4.976 -0.299 1.00 0.00 C ATOM 0 H TRP A 36 -6.989 7.118 -6.418 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.847 5.804 -3.870 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -4.985 5.539 -5.233 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -4.948 7.226 -5.706 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -3.206 8.700 -4.473 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -1.720 8.465 -2.369 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -5.132 4.310 -2.664 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.464 6.650 -0.242 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -4.201 3.390 -0.580 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -2.396 4.553 0.617 1.00 0.00 H new ATOM 586 N ASP A 37 -7.373 8.957 -3.864 1.00 0.00 N ATOM 587 CA ASP A 37 -7.670 10.119 -3.014 1.00 0.00 C ATOM 588 C ASP A 37 -8.561 9.744 -1.826 1.00 0.00 C ATOM 589 O ASP A 37 -8.203 9.989 -0.671 1.00 0.00 O ATOM 590 CB ASP A 37 -8.367 11.189 -3.856 1.00 0.00 C ATOM 591 CG ASP A 37 -8.728 12.431 -3.068 1.00 0.00 C ATOM 592 OD1 ASP A 37 -7.825 13.251 -2.799 1.00 0.00 O ATOM 593 OD2 ASP A 37 -9.919 12.604 -2.738 1.00 0.00 O ATOM 0 H ASP A 37 -7.678 9.062 -4.832 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.728 10.497 -2.616 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.717 11.469 -4.685 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.273 10.767 -4.290 1.00 0.00 H new ATOM 598 N LEU A 38 -9.699 9.109 -2.105 1.00 0.00 N ATOM 599 CA LEU A 38 -10.601 8.675 -1.040 1.00 0.00 C ATOM 600 C LEU A 38 -9.971 7.535 -0.252 1.00 0.00 C ATOM 601 O LEU A 38 -10.171 7.403 0.961 1.00 0.00 O ATOM 602 CB LEU A 38 -11.962 8.236 -1.610 1.00 0.00 C ATOM 603 CG LEU A 38 -11.906 7.179 -2.726 1.00 0.00 C ATOM 604 CD1 LEU A 38 -12.683 5.921 -2.351 1.00 0.00 C ATOM 605 CD2 LEU A 38 -12.445 7.751 -4.023 1.00 0.00 C ATOM 0 H LEU A 38 -10.015 8.886 -3.049 1.00 0.00 H new ATOM 0 HA LEU A 38 -10.770 9.521 -0.373 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -12.568 7.844 -0.793 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -12.476 9.117 -1.994 1.00 0.00 H new ATOM 0 HG LEU A 38 -10.861 6.901 -2.861 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -12.620 5.198 -3.164 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -12.258 5.487 -1.446 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -13.727 6.178 -2.174 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -12.399 6.991 -4.803 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -13.480 8.063 -3.881 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -11.844 8.611 -4.319 1.00 0.00 H new ATOM 617 N ALA A 39 -9.171 6.738 -0.955 1.00 0.00 N ATOM 618 CA ALA A 39 -8.528 5.579 -0.367 1.00 0.00 C ATOM 619 C ALA A 39 -7.547 6.003 0.692 1.00 0.00 C ATOM 620 O ALA A 39 -7.618 5.560 1.828 1.00 0.00 O ATOM 621 CB ALA A 39 -7.802 4.795 -1.441 1.00 0.00 C ATOM 0 H ALA A 39 -8.955 6.880 -1.942 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.293 4.952 0.090 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.321 3.925 -0.994 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -8.515 4.466 -2.197 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.047 5.429 -1.906 1.00 0.00 H new ATOM 627 N SER A 40 -6.662 6.903 0.317 1.00 0.00 N ATOM 628 CA SER A 40 -5.610 7.331 1.202 1.00 0.00 C ATOM 629 C SER A 40 -6.172 8.096 2.382 1.00 0.00 C ATOM 630 O SER A 40 -5.656 7.996 3.496 1.00 0.00 O ATOM 631 CB SER A 40 -4.606 8.192 0.455 1.00 0.00 C ATOM 632 OG SER A 40 -5.232 9.293 -0.180 1.00 0.00 O ATOM 0 H SER A 40 -6.654 7.351 -0.599 1.00 0.00 H new ATOM 0 HA SER A 40 -5.104 6.442 1.578 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.849 8.555 1.150 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.090 7.587 -0.290 1.00 0.00 H new ATOM 0 HG SER A 40 -5.684 8.987 -0.994 1.00 0.00 H new ATOM 638 N LYS A 41 -7.234 8.854 2.135 1.00 0.00 N ATOM 639 CA LYS A 41 -7.846 9.650 3.179 1.00 0.00 C ATOM 640 C LYS A 41 -8.354 8.761 4.317 1.00 0.00 C ATOM 641 O LYS A 41 -8.112 9.056 5.490 1.00 0.00 O ATOM 642 CB LYS A 41 -8.984 10.505 2.617 1.00 0.00 C ATOM 643 CG LYS A 41 -9.491 11.537 3.609 1.00 0.00 C ATOM 644 CD LYS A 41 -10.708 12.280 3.085 1.00 0.00 C ATOM 645 CE LYS A 41 -10.502 12.773 1.661 1.00 0.00 C ATOM 646 NZ LYS A 41 -11.600 13.682 1.229 1.00 0.00 N ATOM 0 H LYS A 41 -7.684 8.931 1.223 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.084 10.317 3.581 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.640 11.013 1.716 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.808 9.856 2.322 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.744 11.044 4.548 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.697 12.251 3.827 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -11.577 11.623 3.120 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -10.923 13.128 3.735 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.548 13.296 1.591 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.448 11.920 0.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -11.426 13.998 0.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.507 13.175 1.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.635 14.508 1.859 1.00 0.00 H new ATOM 660 N GLU A 42 -9.048 7.673 3.980 1.00 0.00 N ATOM 661 CA GLU A 42 -9.584 6.775 5.005 1.00 0.00 C ATOM 662 C GLU A 42 -8.510 5.793 5.490 1.00 0.00 C ATOM 663 O GLU A 42 -8.594 5.242 6.590 1.00 0.00 O ATOM 664 CB GLU A 42 -10.817 6.029 4.472 1.00 0.00 C ATOM 665 CG GLU A 42 -11.564 5.235 5.538 1.00 0.00 C ATOM 666 CD GLU A 42 -12.905 4.703 5.061 1.00 0.00 C ATOM 667 OE1 GLU A 42 -12.930 3.836 4.166 1.00 0.00 O ATOM 668 OE2 GLU A 42 -13.946 5.123 5.614 1.00 0.00 O ATOM 0 H GLU A 42 -9.250 7.394 3.020 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.893 7.375 5.861 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.501 6.750 4.024 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.504 5.350 3.679 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.943 4.399 5.860 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.722 5.870 6.410 1.00 0.00 H new ATOM 675 N LEU A 43 -7.489 5.606 4.666 1.00 0.00 N ATOM 676 CA LEU A 43 -6.402 4.672 4.949 1.00 0.00 C ATOM 677 C LEU A 43 -5.454 5.226 6.021 1.00 0.00 C ATOM 678 O LEU A 43 -4.654 4.487 6.592 1.00 0.00 O ATOM 679 CB LEU A 43 -5.607 4.433 3.657 1.00 0.00 C ATOM 680 CG LEU A 43 -5.213 2.989 3.347 1.00 0.00 C ATOM 681 CD1 LEU A 43 -4.458 2.376 4.506 1.00 0.00 C ATOM 682 CD2 LEU A 43 -6.450 2.184 3.011 1.00 0.00 C ATOM 0 H LEU A 43 -7.388 6.098 3.778 1.00 0.00 H new ATOM 0 HA LEU A 43 -6.833 3.742 5.319 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -6.195 4.811 2.821 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.697 5.031 3.703 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.547 2.980 2.484 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.188 1.348 4.262 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.553 2.953 4.697 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.088 2.384 5.396 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.166 1.155 2.790 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.134 2.198 3.859 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.942 2.619 2.141 1.00 0.00 H new ATOM 694 N GLY A 44 -5.563 6.520 6.306 1.00 0.00 N ATOM 695 CA GLY A 44 -4.546 7.198 7.095 1.00 0.00 C ATOM 696 C GLY A 44 -4.367 6.670 8.508 1.00 0.00 C ATOM 697 O GLY A 44 -3.332 6.912 9.124 1.00 0.00 O ATOM 0 H GLY A 44 -6.337 7.113 6.005 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -3.593 7.122 6.572 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.797 8.257 7.149 1.00 0.00 H new ATOM 701 N GLU A 45 -5.347 5.953 9.042 1.00 0.00 N ATOM 702 CA GLU A 45 -5.194 5.387 10.361 1.00 0.00 C ATOM 703 C GLU A 45 -4.266 4.178 10.325 1.00 0.00 C ATOM 704 O GLU A 45 -3.578 3.883 11.302 1.00 0.00 O ATOM 705 CB GLU A 45 -6.537 5.016 10.989 1.00 0.00 C ATOM 706 CG GLU A 45 -6.386 4.406 12.374 1.00 0.00 C ATOM 707 CD GLU A 45 -7.612 4.592 13.234 1.00 0.00 C ATOM 708 OE1 GLU A 45 -8.555 3.786 13.124 1.00 0.00 O ATOM 709 OE2 GLU A 45 -7.637 5.546 14.034 1.00 0.00 O ATOM 0 H GLU A 45 -6.238 5.756 8.586 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.745 6.156 10.990 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.162 5.907 11.054 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.055 4.310 10.340 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.176 3.341 12.276 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.527 4.856 12.872 1.00 0.00 H new ATOM 716 N SER A 46 -4.221 3.491 9.189 1.00 0.00 N ATOM 717 CA SER A 46 -3.366 2.335 9.049 1.00 0.00 C ATOM 718 C SER A 46 -1.973 2.778 8.633 1.00 0.00 C ATOM 719 O SER A 46 -1.741 3.161 7.485 1.00 0.00 O ATOM 720 CB SER A 46 -3.959 1.369 8.038 1.00 0.00 C ATOM 721 OG SER A 46 -5.260 0.956 8.426 1.00 0.00 O ATOM 0 H SER A 46 -4.767 3.719 8.359 1.00 0.00 H new ATOM 0 HA SER A 46 -3.291 1.818 10.005 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.003 1.845 7.058 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.312 0.497 7.941 1.00 0.00 H new ATOM 0 HG SER A 46 -5.619 0.336 7.757 1.00 0.00 H new ATOM 727 N LEU A 47 -1.051 2.728 9.586 1.00 0.00 N ATOM 728 CA LEU A 47 0.261 3.338 9.437 1.00 0.00 C ATOM 729 C LEU A 47 1.101 2.727 8.330 1.00 0.00 C ATOM 730 O LEU A 47 2.173 3.244 8.064 1.00 0.00 O ATOM 731 CB LEU A 47 1.076 3.245 10.737 1.00 0.00 C ATOM 732 CG LEU A 47 0.387 3.721 12.014 1.00 0.00 C ATOM 733 CD1 LEU A 47 -0.503 4.916 11.734 1.00 0.00 C ATOM 734 CD2 LEU A 47 -0.395 2.580 12.635 1.00 0.00 C ATOM 0 H LEU A 47 -1.193 2.263 10.483 1.00 0.00 H new ATOM 0 HA LEU A 47 0.048 4.375 9.180 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.374 2.206 10.878 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.990 3.824 10.608 1.00 0.00 H new ATOM 0 HG LEU A 47 1.146 4.043 12.727 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.983 5.237 12.659 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.099 5.733 11.335 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.266 4.639 11.007 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.884 2.927 13.545 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.148 2.229 11.930 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.284 1.763 12.877 1.00 0.00 H new ATOM 746 N GLU A 48 0.670 1.657 7.658 1.00 0.00 N ATOM 747 CA GLU A 48 1.547 1.102 6.650 1.00 0.00 C ATOM 748 C GLU A 48 1.492 1.996 5.434 1.00 0.00 C ATOM 749 O GLU A 48 2.431 2.062 4.647 1.00 0.00 O ATOM 750 CB GLU A 48 1.118 -0.313 6.244 1.00 0.00 C ATOM 751 CG GLU A 48 2.275 -1.214 5.858 1.00 0.00 C ATOM 752 CD GLU A 48 3.401 -1.221 6.878 1.00 0.00 C ATOM 753 OE1 GLU A 48 3.124 -1.445 8.075 1.00 0.00 O ATOM 754 OE2 GLU A 48 4.573 -1.026 6.484 1.00 0.00 O ATOM 0 H GLU A 48 -0.226 1.188 7.787 1.00 0.00 H new ATOM 0 HA GLU A 48 2.556 1.044 7.058 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.574 -0.769 7.071 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.425 -0.246 5.405 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.906 -2.231 5.728 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.670 -0.893 4.894 1.00 0.00 H new ATOM 761 N TYR A 49 0.446 2.806 5.368 1.00 0.00 N ATOM 762 CA TYR A 49 0.353 3.786 4.311 1.00 0.00 C ATOM 763 C TYR A 49 1.080 5.046 4.727 1.00 0.00 C ATOM 764 O TYR A 49 1.456 5.872 3.897 1.00 0.00 O ATOM 765 CB TYR A 49 -1.130 4.045 4.006 1.00 0.00 C ATOM 766 CG TYR A 49 -1.524 5.499 3.879 1.00 0.00 C ATOM 767 CD1 TYR A 49 -1.324 6.184 2.693 1.00 0.00 C ATOM 768 CD2 TYR A 49 -2.107 6.178 4.943 1.00 0.00 C ATOM 769 CE1 TYR A 49 -1.687 7.512 2.565 1.00 0.00 C ATOM 770 CE2 TYR A 49 -2.474 7.506 4.827 1.00 0.00 C ATOM 771 CZ TYR A 49 -2.266 8.171 3.637 1.00 0.00 C ATOM 772 OH TYR A 49 -2.620 9.498 3.532 1.00 0.00 O ATOM 0 H TYR A 49 -0.335 2.801 6.024 1.00 0.00 H new ATOM 0 HA TYR A 49 0.827 3.422 3.400 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.387 3.535 3.078 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.730 3.592 4.795 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -0.877 5.673 1.853 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.276 5.660 5.875 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.520 8.033 1.634 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -2.922 8.020 5.665 1.00 0.00 H new ATOM 0 HH TYR A 49 -3.013 9.799 4.377 1.00 0.00 H new ATOM 782 N LYS A 50 1.322 5.161 6.020 1.00 0.00 N ATOM 783 CA LYS A 50 2.147 6.222 6.526 1.00 0.00 C ATOM 784 C LYS A 50 3.595 5.769 6.571 1.00 0.00 C ATOM 785 O LYS A 50 4.509 6.571 6.749 1.00 0.00 O ATOM 786 CB LYS A 50 1.646 6.648 7.901 1.00 0.00 C ATOM 787 CG LYS A 50 1.682 8.150 8.099 1.00 0.00 C ATOM 788 CD LYS A 50 0.874 8.580 9.310 1.00 0.00 C ATOM 789 CE LYS A 50 -0.541 8.032 9.252 1.00 0.00 C ATOM 790 NZ LYS A 50 -1.473 8.783 10.135 1.00 0.00 N ATOM 0 H LYS A 50 0.955 4.529 6.732 1.00 0.00 H new ATOM 0 HA LYS A 50 2.089 7.087 5.865 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.625 6.292 8.037 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.255 6.170 8.669 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.715 8.476 8.217 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.292 8.643 7.209 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.364 8.232 10.219 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.843 9.668 9.361 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.903 8.075 8.225 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.534 6.982 9.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.422 8.363 10.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.135 8.736 11.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.515 9.777 9.831 1.00 0.00 H new ATOM 804 N ALA A 51 3.794 4.466 6.384 1.00 0.00 N ATOM 805 CA ALA A 51 5.123 3.888 6.353 1.00 0.00 C ATOM 806 C ALA A 51 5.661 3.981 4.944 1.00 0.00 C ATOM 807 O ALA A 51 6.804 3.637 4.661 1.00 0.00 O ATOM 808 CB ALA A 51 5.069 2.446 6.828 1.00 0.00 C ATOM 0 H ALA A 51 3.041 3.791 6.251 1.00 0.00 H new ATOM 0 HA ALA A 51 5.789 4.434 7.021 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.071 2.017 6.803 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.686 2.413 7.848 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.412 1.872 6.175 1.00 0.00 H new ATOM 814 N LEU A 52 4.794 4.470 4.082 1.00 0.00 N ATOM 815 CA LEU A 52 4.985 4.414 2.653 1.00 0.00 C ATOM 816 C LEU A 52 4.692 5.791 2.071 1.00 0.00 C ATOM 817 O LEU A 52 4.274 5.938 0.922 1.00 0.00 O ATOM 818 CB LEU A 52 4.037 3.340 2.102 1.00 0.00 C ATOM 819 CG LEU A 52 4.214 2.971 0.643 1.00 0.00 C ATOM 820 CD1 LEU A 52 5.631 2.512 0.383 1.00 0.00 C ATOM 821 CD2 LEU A 52 3.233 1.883 0.238 1.00 0.00 C ATOM 0 H LEU A 52 3.924 4.924 4.362 1.00 0.00 H new ATOM 0 HA LEU A 52 6.007 4.150 2.382 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.159 2.437 2.700 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.012 3.682 2.246 1.00 0.00 H new ATOM 0 HG LEU A 52 4.014 3.859 0.043 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.741 2.251 -0.669 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.325 3.315 0.632 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.849 1.639 0.998 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.379 1.635 -0.813 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.402 0.995 0.847 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.213 2.238 0.389 1.00 0.00 H new ATOM 833 N GLY A 53 4.923 6.801 2.900 1.00 0.00 N ATOM 834 CA GLY A 53 4.600 8.166 2.540 1.00 0.00 C ATOM 835 C GLY A 53 5.494 8.744 1.458 1.00 0.00 C ATOM 836 O GLY A 53 4.996 9.345 0.503 1.00 0.00 O ATOM 0 H GLY A 53 5.334 6.695 3.827 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.564 8.207 2.202 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.671 8.792 3.429 1.00 0.00 H new ATOM 840 N ASP A 54 6.804 8.542 1.578 1.00 0.00 N ATOM 841 CA ASP A 54 7.755 9.161 0.656 1.00 0.00 C ATOM 842 C ASP A 54 7.721 8.424 -0.667 1.00 0.00 C ATOM 843 O ASP A 54 7.898 9.000 -1.737 1.00 0.00 O ATOM 844 CB ASP A 54 9.169 9.150 1.242 1.00 0.00 C ATOM 845 CG ASP A 54 10.177 9.805 0.320 1.00 0.00 C ATOM 846 OD1 ASP A 54 10.053 11.023 0.070 1.00 0.00 O ATOM 847 OD2 ASP A 54 11.116 9.117 -0.136 1.00 0.00 O ATOM 0 H ASP A 54 7.230 7.959 2.299 1.00 0.00 H new ATOM 0 HA ASP A 54 7.470 10.201 0.497 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.167 9.668 2.201 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.472 8.121 1.436 1.00 0.00 H new ATOM 852 N GLU A 55 7.440 7.141 -0.571 1.00 0.00 N ATOM 853 CA GLU A 55 7.249 6.287 -1.727 1.00 0.00 C ATOM 854 C GLU A 55 5.817 6.455 -2.228 1.00 0.00 C ATOM 855 O GLU A 55 5.135 5.480 -2.557 1.00 0.00 O ATOM 856 CB GLU A 55 7.504 4.825 -1.335 1.00 0.00 C ATOM 857 CG GLU A 55 8.856 4.549 -0.671 1.00 0.00 C ATOM 858 CD GLU A 55 8.971 5.101 0.740 1.00 0.00 C ATOM 859 OE1 GLU A 55 7.924 5.334 1.391 1.00 0.00 O ATOM 860 OE2 GLU A 55 10.108 5.309 1.203 1.00 0.00 O ATOM 0 H GLU A 55 7.337 6.656 0.320 1.00 0.00 H new ATOM 0 HA GLU A 55 7.947 6.563 -2.517 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.713 4.505 -0.656 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.425 4.208 -2.230 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.024 3.472 -0.645 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.647 4.980 -1.285 1.00 0.00 H new ATOM 867 N ASP A 56 5.383 7.713 -2.312 1.00 0.00 N ATOM 868 CA ASP A 56 3.982 8.046 -2.534 1.00 0.00 C ATOM 869 C ASP A 56 3.464 7.434 -3.822 1.00 0.00 C ATOM 870 O ASP A 56 2.382 6.857 -3.839 1.00 0.00 O ATOM 871 CB ASP A 56 3.768 9.572 -2.563 1.00 0.00 C ATOM 872 CG ASP A 56 3.886 10.171 -3.951 1.00 0.00 C ATOM 873 OD1 ASP A 56 5.017 10.505 -4.367 1.00 0.00 O ATOM 874 OD2 ASP A 56 2.848 10.309 -4.631 1.00 0.00 O ATOM 0 H ASP A 56 5.994 8.526 -2.228 1.00 0.00 H new ATOM 0 HA ASP A 56 3.420 7.628 -1.699 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.782 9.801 -2.159 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.498 10.046 -1.907 1.00 0.00 H new ATOM 879 N ASN A 57 4.267 7.513 -4.882 1.00 0.00 N ATOM 880 CA ASN A 57 3.831 7.093 -6.201 1.00 0.00 C ATOM 881 C ASN A 57 3.842 5.581 -6.300 1.00 0.00 C ATOM 882 O ASN A 57 3.064 4.991 -7.046 1.00 0.00 O ATOM 883 CB ASN A 57 4.701 7.731 -7.300 1.00 0.00 C ATOM 884 CG ASN A 57 6.132 7.990 -6.856 1.00 0.00 C ATOM 885 OD1 ASN A 57 6.780 8.924 -7.325 1.00 0.00 O ATOM 886 ND2 ASN A 57 6.642 7.156 -5.967 1.00 0.00 N ATOM 0 H ASN A 57 5.224 7.865 -4.847 1.00 0.00 H new ATOM 0 HA ASN A 57 2.808 7.438 -6.353 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.711 7.077 -8.172 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.248 8.672 -7.612 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.603 7.276 -5.648 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.074 6.392 -5.600 1.00 0.00 H new ATOM 893 N ILE A 58 4.693 4.949 -5.504 1.00 0.00 N ATOM 894 CA ILE A 58 4.690 3.516 -5.412 1.00 0.00 C ATOM 895 C ILE A 58 3.394 3.106 -4.747 1.00 0.00 C ATOM 896 O ILE A 58 2.600 2.368 -5.311 1.00 0.00 O ATOM 897 CB ILE A 58 5.899 2.989 -4.592 1.00 0.00 C ATOM 898 CG1 ILE A 58 7.154 2.895 -5.459 1.00 0.00 C ATOM 899 CG2 ILE A 58 5.604 1.633 -3.968 1.00 0.00 C ATOM 900 CD1 ILE A 58 7.666 4.223 -5.965 1.00 0.00 C ATOM 0 H ILE A 58 5.388 5.414 -4.919 1.00 0.00 H new ATOM 0 HA ILE A 58 4.774 3.087 -6.411 1.00 0.00 H new ATOM 0 HB ILE A 58 6.076 3.706 -3.791 1.00 0.00 H new ATOM 0 HG12 ILE A 58 7.943 2.411 -4.883 1.00 0.00 H new ATOM 0 HG13 ILE A 58 6.943 2.252 -6.313 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.473 1.296 -3.402 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.747 1.719 -3.300 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.381 0.912 -4.754 1.00 0.00 H new ATOM 0 HD11 ILE A 58 8.558 4.062 -6.571 1.00 0.00 H new ATOM 0 HD12 ILE A 58 6.897 4.702 -6.571 1.00 0.00 H new ATOM 0 HD13 ILE A 58 7.913 4.864 -5.119 1.00 0.00 H new ATOM 912 N ARG A 59 3.158 3.714 -3.596 1.00 0.00 N ATOM 913 CA ARG A 59 2.004 3.436 -2.758 1.00 0.00 C ATOM 914 C ARG A 59 0.680 3.533 -3.527 1.00 0.00 C ATOM 915 O ARG A 59 -0.139 2.611 -3.482 1.00 0.00 O ATOM 916 CB ARG A 59 2.031 4.404 -1.578 1.00 0.00 C ATOM 917 CG ARG A 59 0.717 4.527 -0.838 1.00 0.00 C ATOM 918 CD ARG A 59 0.847 5.430 0.362 1.00 0.00 C ATOM 919 NE ARG A 59 1.724 6.574 0.108 1.00 0.00 N ATOM 920 CZ ARG A 59 1.289 7.826 -0.005 1.00 0.00 C ATOM 921 NH1 ARG A 59 -0.013 8.072 -0.042 1.00 0.00 N ATOM 922 NH2 ARG A 59 2.153 8.828 -0.105 1.00 0.00 N ATOM 0 H ARG A 59 3.776 4.429 -3.211 1.00 0.00 H new ATOM 0 HA ARG A 59 2.063 2.407 -2.405 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.800 4.081 -0.876 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.324 5.390 -1.939 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.046 4.919 -1.510 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.383 3.540 -0.519 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.140 5.790 0.651 1.00 0.00 H new ATOM 0 HD3 ARG A 59 1.236 4.857 1.204 1.00 0.00 H new ATOM 0 HE ARG A 59 2.725 6.402 0.012 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -0.679 7.302 0.016 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -0.348 9.031 -0.129 1.00 0.00 H new ATOM 0 HH21 ARG A 59 3.155 8.640 -0.095 1.00 0.00 H new ATOM 0 HH22 ARG A 59 1.815 9.786 -0.191 1.00 0.00 H new ATOM 936 N ARG A 60 0.478 4.638 -4.243 1.00 0.00 N ATOM 937 CA ARG A 60 -0.756 4.844 -4.993 1.00 0.00 C ATOM 938 C ARG A 60 -0.884 3.835 -6.137 1.00 0.00 C ATOM 939 O ARG A 60 -1.961 3.268 -6.366 1.00 0.00 O ATOM 940 CB ARG A 60 -0.804 6.279 -5.533 1.00 0.00 C ATOM 941 CG ARG A 60 0.550 6.784 -5.995 1.00 0.00 C ATOM 942 CD ARG A 60 0.488 8.127 -6.704 1.00 0.00 C ATOM 943 NE ARG A 60 -0.851 8.460 -7.151 1.00 0.00 N ATOM 944 CZ ARG A 60 -1.512 9.527 -6.744 1.00 0.00 C ATOM 945 NH1 ARG A 60 -0.948 10.391 -5.900 1.00 0.00 N ATOM 946 NH2 ARG A 60 -2.730 9.730 -7.191 1.00 0.00 N ATOM 0 H ARG A 60 1.151 5.401 -4.318 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.598 4.688 -4.319 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.506 6.325 -6.366 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.187 6.941 -4.756 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.211 6.868 -5.132 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.993 6.048 -6.666 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.847 8.906 -6.031 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.160 8.112 -7.562 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.307 7.835 -7.816 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.001 10.230 -5.564 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.466 11.213 -5.590 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -3.151 9.068 -7.843 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -3.255 10.550 -6.886 1.00 0.00 H new ATOM 960 N GLN A 61 0.221 3.587 -6.836 1.00 0.00 N ATOM 961 CA GLN A 61 0.186 2.713 -7.996 1.00 0.00 C ATOM 962 C GLN A 61 -0.103 1.266 -7.616 1.00 0.00 C ATOM 963 O GLN A 61 -0.908 0.619 -8.281 1.00 0.00 O ATOM 964 CB GLN A 61 1.474 2.824 -8.818 1.00 0.00 C ATOM 965 CG GLN A 61 1.546 4.129 -9.595 1.00 0.00 C ATOM 966 CD GLN A 61 0.216 4.471 -10.240 1.00 0.00 C ATOM 967 OE1 GLN A 61 -0.128 5.638 -10.416 1.00 0.00 O ATOM 968 NE2 GLN A 61 -0.542 3.445 -10.604 1.00 0.00 N ATOM 0 H GLN A 61 1.139 3.975 -6.620 1.00 0.00 H new ATOM 0 HA GLN A 61 -0.640 3.050 -8.622 1.00 0.00 H new ATOM 0 HB2 GLN A 61 2.335 2.750 -8.154 1.00 0.00 H new ATOM 0 HB3 GLN A 61 1.534 1.986 -9.512 1.00 0.00 H new ATOM 0 HG2 GLN A 61 1.844 4.936 -8.925 1.00 0.00 H new ATOM 0 HG3 GLN A 61 2.315 4.053 -10.364 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -0.221 2.491 -10.441 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.446 3.610 -11.047 1.00 0.00 H new ATOM 977 N ILE A 62 0.526 0.749 -6.552 1.00 0.00 N ATOM 978 CA ILE A 62 0.225 -0.621 -6.130 1.00 0.00 C ATOM 979 C ILE A 62 -1.230 -0.714 -5.724 1.00 0.00 C ATOM 980 O ILE A 62 -1.913 -1.658 -6.092 1.00 0.00 O ATOM 981 CB ILE A 62 1.057 -1.155 -4.944 1.00 0.00 C ATOM 982 CG1 ILE A 62 2.254 -0.285 -4.628 1.00 0.00 C ATOM 983 CG2 ILE A 62 1.524 -2.561 -5.256 1.00 0.00 C ATOM 984 CD1 ILE A 62 2.664 -0.339 -3.171 1.00 0.00 C ATOM 0 H ILE A 62 1.221 1.238 -5.988 1.00 0.00 H new ATOM 0 HA ILE A 62 0.476 -1.232 -6.997 1.00 0.00 H new ATOM 0 HB ILE A 62 0.413 -1.146 -4.065 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.095 -0.597 -5.247 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.026 0.747 -4.896 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.112 -2.943 -4.421 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.659 -3.205 -5.415 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.138 -2.549 -6.157 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.528 0.307 -3.012 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.837 0.001 -2.547 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.923 -1.364 -2.904 1.00 0.00 H new ATOM 996 N PHE A 63 -1.695 0.286 -4.975 1.00 0.00 N ATOM 997 CA PHE A 63 -3.061 0.295 -4.467 1.00 0.00 C ATOM 998 C PHE A 63 -4.083 0.005 -5.563 1.00 0.00 C ATOM 999 O PHE A 63 -4.925 -0.887 -5.423 1.00 0.00 O ATOM 1000 CB PHE A 63 -3.369 1.632 -3.808 1.00 0.00 C ATOM 1001 CG PHE A 63 -4.815 2.015 -3.897 1.00 0.00 C ATOM 1002 CD1 PHE A 63 -5.772 1.331 -3.166 1.00 0.00 C ATOM 1003 CD2 PHE A 63 -5.223 3.044 -4.740 1.00 0.00 C ATOM 1004 CE1 PHE A 63 -7.098 1.667 -3.267 1.00 0.00 C ATOM 1005 CE2 PHE A 63 -6.552 3.381 -4.842 1.00 0.00 C ATOM 1006 CZ PHE A 63 -7.488 2.693 -4.107 1.00 0.00 C ATOM 0 H PHE A 63 -1.142 1.100 -4.708 1.00 0.00 H new ATOM 0 HA PHE A 63 -3.137 -0.502 -3.727 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.075 1.589 -2.759 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -2.765 2.409 -4.277 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.472 0.526 -2.511 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.489 3.583 -5.320 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.837 1.130 -2.691 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.859 4.183 -5.497 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.533 2.955 -4.186 1.00 0.00 H new ATOM 1016 N GLU A 64 -3.998 0.748 -6.652 1.00 0.00 N ATOM 1017 CA GLU A 64 -4.922 0.561 -7.760 1.00 0.00 C ATOM 1018 C GLU A 64 -4.633 -0.757 -8.481 1.00 0.00 C ATOM 1019 O GLU A 64 -5.541 -1.437 -8.943 1.00 0.00 O ATOM 1020 CB GLU A 64 -4.833 1.753 -8.720 1.00 0.00 C ATOM 1021 CG GLU A 64 -5.662 1.606 -9.989 1.00 0.00 C ATOM 1022 CD GLU A 64 -7.145 1.408 -9.724 1.00 0.00 C ATOM 1023 OE1 GLU A 64 -7.832 2.389 -9.384 1.00 0.00 O ATOM 1024 OE2 GLU A 64 -7.631 0.266 -9.889 1.00 0.00 O ATOM 0 H GLU A 64 -3.304 1.482 -6.794 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.940 0.510 -7.373 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.154 2.652 -8.194 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.790 1.902 -8.998 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.527 2.494 -10.607 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.287 0.758 -10.562 1.00 0.00 H new ATOM 1031 N ASP A 65 -3.366 -1.141 -8.524 1.00 0.00 N ATOM 1032 CA ASP A 65 -2.939 -2.326 -9.267 1.00 0.00 C ATOM 1033 C ASP A 65 -3.217 -3.615 -8.484 1.00 0.00 C ATOM 1034 O ASP A 65 -3.077 -4.713 -9.018 1.00 0.00 O ATOM 1035 CB ASP A 65 -1.445 -2.216 -9.599 1.00 0.00 C ATOM 1036 CG ASP A 65 -0.989 -3.212 -10.650 1.00 0.00 C ATOM 1037 OD1 ASP A 65 -1.586 -3.237 -11.748 1.00 0.00 O ATOM 1038 OD2 ASP A 65 -0.010 -3.952 -10.396 1.00 0.00 O ATOM 0 H ASP A 65 -2.608 -0.648 -8.051 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.515 -2.374 -10.191 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -1.231 -1.206 -9.948 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.865 -2.368 -8.689 1.00 0.00 H new ATOM 1043 N PHE A 66 -3.618 -3.474 -7.216 1.00 0.00 N ATOM 1044 CA PHE A 66 -3.815 -4.613 -6.323 1.00 0.00 C ATOM 1045 C PHE A 66 -4.885 -5.566 -6.829 1.00 0.00 C ATOM 1046 O PHE A 66 -4.643 -6.759 -7.003 1.00 0.00 O ATOM 1047 CB PHE A 66 -4.246 -4.103 -4.949 1.00 0.00 C ATOM 1048 CG PHE A 66 -3.165 -3.536 -4.074 1.00 0.00 C ATOM 1049 CD1 PHE A 66 -1.846 -3.931 -4.200 1.00 0.00 C ATOM 1050 CD2 PHE A 66 -3.497 -2.631 -3.079 1.00 0.00 C ATOM 1051 CE1 PHE A 66 -0.880 -3.431 -3.349 1.00 0.00 C ATOM 1052 CE2 PHE A 66 -2.538 -2.125 -2.231 1.00 0.00 C ATOM 1053 CZ PHE A 66 -1.226 -2.525 -2.363 1.00 0.00 C ATOM 0 H PHE A 66 -3.813 -2.571 -6.785 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.870 -5.153 -6.273 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -5.006 -3.335 -5.093 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.722 -4.925 -4.414 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.569 -4.636 -4.970 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.524 -2.318 -2.967 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.147 -3.748 -3.454 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.813 -1.416 -1.464 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.470 -2.132 -1.699 1.00 0.00 H new ATOM 1063 N LYS A 67 -6.056 -5.005 -7.056 1.00 0.00 N ATOM 1064 CA LYS A 67 -7.194 -5.710 -7.633 1.00 0.00 C ATOM 1065 C LYS A 67 -7.653 -6.913 -6.797 1.00 0.00 C ATOM 1066 O LYS A 67 -7.047 -7.984 -6.827 1.00 0.00 O ATOM 1067 CB LYS A 67 -6.882 -6.118 -9.076 1.00 0.00 C ATOM 1068 CG LYS A 67 -6.510 -4.937 -9.963 1.00 0.00 C ATOM 1069 CD LYS A 67 -7.421 -3.753 -9.691 1.00 0.00 C ATOM 1070 CE LYS A 67 -7.765 -2.984 -10.961 1.00 0.00 C ATOM 1071 NZ LYS A 67 -6.767 -1.927 -11.264 1.00 0.00 N ATOM 0 H LYS A 67 -6.252 -4.027 -6.842 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.034 -5.016 -7.631 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.062 -6.837 -9.075 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.749 -6.624 -9.500 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.473 -4.653 -9.783 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.584 -5.226 -11.011 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.340 -4.105 -9.222 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.938 -3.081 -8.982 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.823 -3.678 -11.800 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.751 -2.531 -10.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.205 -0.991 -11.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.959 -2.017 -10.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.437 -2.032 -12.245 1.00 0.00 H new ATOM 1085 N PRO A 68 -8.730 -6.719 -6.009 1.00 0.00 N ATOM 1086 CA PRO A 68 -9.344 -7.771 -5.183 1.00 0.00 C ATOM 1087 C PRO A 68 -9.856 -8.986 -5.941 1.00 0.00 C ATOM 1088 O PRO A 68 -9.502 -9.250 -7.091 1.00 0.00 O ATOM 1089 CB PRO A 68 -10.560 -7.095 -4.546 1.00 0.00 C ATOM 1090 CG PRO A 68 -10.720 -5.785 -5.243 1.00 0.00 C ATOM 1091 CD PRO A 68 -9.396 -5.426 -5.808 1.00 0.00 C ATOM 0 HA PRO A 68 -8.585 -8.151 -4.499 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -11.453 -7.710 -4.662 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -10.409 -6.951 -3.476 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -11.468 -5.858 -6.032 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -11.063 -5.018 -4.548 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -9.498 -4.880 -6.746 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -8.832 -4.788 -5.127 1.00 0.00 H new ATOM 1099 N GLU A 69 -10.746 -9.684 -5.246 1.00 0.00 N ATOM 1100 CA GLU A 69 -11.364 -10.921 -5.716 1.00 0.00 C ATOM 1101 C GLU A 69 -10.317 -11.979 -6.054 1.00 0.00 C ATOM 1102 O GLU A 69 -9.754 -12.575 -5.113 1.00 0.00 O ATOM 1103 CB GLU A 69 -12.275 -10.665 -6.917 1.00 0.00 C ATOM 1104 CG GLU A 69 -13.417 -9.709 -6.619 1.00 0.00 C ATOM 1105 CD GLU A 69 -14.414 -9.627 -7.751 1.00 0.00 C ATOM 1106 OE1 GLU A 69 -14.165 -8.881 -8.721 1.00 0.00 O ATOM 1107 OE2 GLU A 69 -15.451 -10.322 -7.684 1.00 0.00 O ATOM 1108 OXT GLU A 69 -10.088 -12.234 -7.252 1.00 0.00 O ATOM 0 H GLU A 69 -11.066 -9.401 -4.320 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.976 -11.304 -4.899 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.679 -10.262 -7.736 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.687 -11.614 -7.260 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.928 -10.031 -5.712 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.013 -8.716 -6.422 1.00 0.00 H new TER 1115 GLU A 69