USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 829 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 59 SER OG : rot -162:sc= 2.37 USER MOD Set 1.2: A 94 HIS : no HE2:sc= 0.975 K(o=4.3,f=-5.6!) USER MOD Set 1.3: A 105 TYR OH : rot 19:sc= 0.967 USER MOD Set 2.1: A 39 ASN : amide:sc= -1.57! C(o=1.3!,f=-3.8!) USER MOD Set 2.2: A 70 LYS NZ :NH3+ 179:sc= 1.92 (180deg=1.05) USER MOD Set 2.3: A 75 TYR OH : rot 21:sc= 0.988 USER MOD Set 3.1: A 37 TYR OH : rot -47:sc= 0.316 USER MOD Set 3.2: A 76 GLN : amide:sc= -0.149 K(o=0.17,f=-2.9!) USER MOD Set 4.1: A 23 THR OG1 : rot 168:sc= 0.664 USER MOD Set 4.2: A 74 HIS : no HD1:sc= 0.541 K(o=1.2,f=0.048) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 6:sc= 0.597 USER MOD Single : A 24 ASN : amide:sc= -0.0539 X(o=-0.054,f=-0.062) USER MOD Single : A 25 LYS NZ :NH3+ -151:sc= 1.06 (180deg=0.305) USER MOD Single : A 26 THR OG1 : rot 29:sc= 0.886 USER MOD Single : A 27 TYR OH : rot 180:sc= 0.957 USER MOD Single : A 29 TYR OH : rot 30:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0.0298 X(o=0.03,f=-0.023) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HE2:sc= 0.315 K(o=0.31,f=-4.5!) USER MOD Single : A 56 LYS NZ :NH3+ 161:sc= 1.22 (180deg=0.0627) USER MOD Single : A 60 SER OG : rot 87:sc= 1.24 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -173:sc= 0.532 USER MOD Single : A 72 CYS SG : rot 180:sc= -0.0598 USER MOD Single : A 77 ASN :FLIP amide:sc= -0.384 F(o=-2.1!,f=-0.38) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= -5.99! C(o=-6!,f=-7.8!) USER MOD Single : A 90 TYR OH : rot 180:sc= -0.188 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 107 ASN :FLIP amide:sc= 0 F(o=-0.56,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N TYR A 2 -7.926 -7.373 9.651 1.00 0.00 N ATOM 21 CA TYR A 2 -7.045 -6.773 8.667 1.00 0.00 C ATOM 22 C TYR A 2 -7.706 -6.756 7.298 1.00 0.00 C ATOM 23 O TYR A 2 -8.863 -7.149 7.152 1.00 0.00 O ATOM 24 CB TYR A 2 -5.720 -7.525 8.592 1.00 0.00 C ATOM 25 CG TYR A 2 -4.852 -7.343 9.811 1.00 0.00 C ATOM 26 CD1 TYR A 2 -5.064 -8.099 10.952 1.00 0.00 C ATOM 27 CD2 TYR A 2 -3.831 -6.405 9.821 1.00 0.00 C ATOM 28 CE1 TYR A 2 -4.284 -7.924 12.074 1.00 0.00 C ATOM 29 CE2 TYR A 2 -3.046 -6.220 10.939 1.00 0.00 C ATOM 30 CZ TYR A 2 -3.274 -6.982 12.064 1.00 0.00 C ATOM 31 OH TYR A 2 -2.498 -6.794 13.184 1.00 0.00 O ATOM 0 HA TYR A 2 -6.846 -5.747 8.978 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -5.922 -8.587 8.456 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -5.171 -7.190 7.712 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -5.853 -8.837 10.962 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -3.648 -5.810 8.939 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -4.461 -8.520 12.957 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -2.257 -5.482 10.933 1.00 0.00 H new ATOM 0 HH TYR A 2 -1.834 -6.095 13.008 1.00 0.00 H new ATOM 41 N LEU A 3 -6.966 -6.302 6.300 1.00 0.00 N ATOM 42 CA LEU A 3 -7.480 -6.239 4.944 1.00 0.00 C ATOM 43 C LEU A 3 -6.746 -7.223 4.044 1.00 0.00 C ATOM 44 O LEU A 3 -5.517 -7.214 3.966 1.00 0.00 O ATOM 45 CB LEU A 3 -7.358 -4.817 4.383 1.00 0.00 C ATOM 46 CG LEU A 3 -8.227 -3.763 5.074 1.00 0.00 C ATOM 47 CD1 LEU A 3 -8.029 -2.400 4.429 1.00 0.00 C ATOM 48 CD2 LEU A 3 -9.694 -4.165 5.023 1.00 0.00 C ATOM 0 H LEU A 3 -6.007 -5.972 6.405 1.00 0.00 H new ATOM 0 HA LEU A 3 -8.535 -6.512 4.970 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -6.316 -4.506 4.451 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.616 -4.839 3.324 1.00 0.00 H new ATOM 0 HG LEU A 3 -7.921 -3.698 6.118 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -8.655 -1.664 4.934 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -6.983 -2.106 4.514 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -8.307 -2.452 3.376 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -10.297 -3.404 5.519 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -10.010 -4.258 3.984 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -9.827 -5.121 5.530 1.00 0.00 H new ATOM 60 N ARG A 4 -7.516 -8.079 3.387 1.00 0.00 N ATOM 61 CA ARG A 4 -6.988 -9.034 2.422 1.00 0.00 C ATOM 62 C ARG A 4 -6.235 -8.296 1.310 1.00 0.00 C ATOM 63 O ARG A 4 -6.687 -7.248 0.845 1.00 0.00 O ATOM 64 CB ARG A 4 -8.156 -9.846 1.854 1.00 0.00 C ATOM 65 CG ARG A 4 -7.779 -10.919 0.844 1.00 0.00 C ATOM 66 CD ARG A 4 -9.005 -11.731 0.453 1.00 0.00 C ATOM 67 NE ARG A 4 -8.800 -12.515 -0.765 1.00 0.00 N ATOM 68 CZ ARG A 4 -9.741 -12.691 -1.698 1.00 0.00 C ATOM 69 NH1 ARG A 4 -10.951 -12.167 -1.533 1.00 0.00 N ATOM 70 NH2 ARG A 4 -9.478 -13.392 -2.791 1.00 0.00 N ATOM 0 H ARG A 4 -8.527 -8.131 3.508 1.00 0.00 H new ATOM 0 HA ARG A 4 -6.283 -9.710 2.905 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -8.682 -10.320 2.682 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -8.858 -9.158 1.382 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -7.343 -10.457 -0.042 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -7.019 -11.576 1.268 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -9.267 -12.401 1.271 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -9.850 -11.058 0.309 1.00 0.00 H new ATOM 0 HE ARG A 4 -7.889 -12.951 -0.910 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -11.164 -11.629 -0.693 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -11.667 -12.303 -2.246 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -8.553 -13.801 -2.924 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -10.200 -13.523 -3.499 1.00 0.00 H new ATOM 84 N PRO A 5 -5.073 -8.830 0.884 1.00 0.00 N ATOM 85 CA PRO A 5 -4.197 -8.184 -0.111 1.00 0.00 C ATOM 86 C PRO A 5 -4.943 -7.799 -1.391 1.00 0.00 C ATOM 87 O PRO A 5 -4.656 -6.770 -2.008 1.00 0.00 O ATOM 88 CB PRO A 5 -3.122 -9.248 -0.407 1.00 0.00 C ATOM 89 CG PRO A 5 -3.633 -10.516 0.198 1.00 0.00 C ATOM 90 CD PRO A 5 -4.515 -10.106 1.342 1.00 0.00 C ATOM 0 HA PRO A 5 -3.787 -7.247 0.267 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -2.967 -9.360 -1.480 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -2.162 -8.966 0.026 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -4.191 -11.100 -0.534 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -2.810 -11.141 0.545 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -5.295 -10.842 1.535 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -3.950 -9.991 2.267 1.00 0.00 H new ATOM 98 N ASP A 6 -5.900 -8.634 -1.776 1.00 0.00 N ATOM 99 CA ASP A 6 -6.747 -8.371 -2.938 1.00 0.00 C ATOM 100 C ASP A 6 -7.534 -7.071 -2.768 1.00 0.00 C ATOM 101 O ASP A 6 -7.614 -6.256 -3.687 1.00 0.00 O ATOM 102 CB ASP A 6 -7.705 -9.548 -3.156 1.00 0.00 C ATOM 103 CG ASP A 6 -8.815 -9.231 -4.139 1.00 0.00 C ATOM 104 OD1 ASP A 6 -8.538 -9.138 -5.353 1.00 0.00 O ATOM 105 OD2 ASP A 6 -9.978 -9.086 -3.695 1.00 0.00 O ATOM 0 H ASP A 6 -6.112 -9.509 -1.296 1.00 0.00 H new ATOM 0 HA ASP A 6 -6.106 -8.259 -3.812 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -7.140 -10.407 -3.518 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -8.144 -9.835 -2.200 1.00 0.00 H new ATOM 110 N GLU A 7 -8.093 -6.886 -1.576 1.00 0.00 N ATOM 111 CA GLU A 7 -8.885 -5.702 -1.256 1.00 0.00 C ATOM 112 C GLU A 7 -8.028 -4.439 -1.359 1.00 0.00 C ATOM 113 O GLU A 7 -8.434 -3.452 -1.974 1.00 0.00 O ATOM 114 CB GLU A 7 -9.456 -5.835 0.160 1.00 0.00 C ATOM 115 CG GLU A 7 -10.403 -4.716 0.567 1.00 0.00 C ATOM 116 CD GLU A 7 -11.738 -4.790 -0.146 1.00 0.00 C ATOM 117 OE1 GLU A 7 -12.618 -5.556 0.304 1.00 0.00 O ATOM 118 OE2 GLU A 7 -11.923 -4.079 -1.152 1.00 0.00 O ATOM 0 H GLU A 7 -8.010 -7.550 -0.806 1.00 0.00 H new ATOM 0 HA GLU A 7 -9.704 -5.621 -1.971 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.983 -6.786 0.238 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.629 -5.870 0.870 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.568 -4.759 1.644 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.935 -3.755 0.354 1.00 0.00 H new ATOM 125 N VAL A 8 -6.834 -4.499 -0.771 1.00 0.00 N ATOM 126 CA VAL A 8 -5.922 -3.356 -0.734 1.00 0.00 C ATOM 127 C VAL A 8 -5.634 -2.826 -2.137 1.00 0.00 C ATOM 128 O VAL A 8 -5.729 -1.625 -2.388 1.00 0.00 O ATOM 129 CB VAL A 8 -4.587 -3.725 -0.046 1.00 0.00 C ATOM 130 CG1 VAL A 8 -3.665 -2.517 0.032 1.00 0.00 C ATOM 131 CG2 VAL A 8 -4.839 -4.297 1.341 1.00 0.00 C ATOM 0 H VAL A 8 -6.473 -5.334 -0.310 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.418 -2.576 -0.156 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.095 -4.489 -0.649 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.733 -2.802 0.520 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.452 -2.156 -0.974 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.148 -1.727 0.606 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.887 -4.550 1.808 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.357 -3.557 1.951 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.453 -5.194 1.259 1.00 0.00 H new ATOM 141 N ALA A 9 -5.298 -3.734 -3.047 1.00 0.00 N ATOM 142 CA ALA A 9 -4.975 -3.363 -4.421 1.00 0.00 C ATOM 143 C ALA A 9 -6.153 -2.671 -5.098 1.00 0.00 C ATOM 144 O ALA A 9 -6.000 -1.605 -5.701 1.00 0.00 O ATOM 145 CB ALA A 9 -4.564 -4.592 -5.219 1.00 0.00 C ATOM 0 H ALA A 9 -5.242 -4.735 -2.858 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.141 -2.662 -4.390 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.326 -4.299 -6.242 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.687 -5.048 -4.759 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.384 -5.310 -5.229 1.00 0.00 H new ATOM 151 N ARG A 10 -7.321 -3.289 -4.994 1.00 0.00 N ATOM 152 CA ARG A 10 -8.528 -2.777 -5.628 1.00 0.00 C ATOM 153 C ARG A 10 -8.892 -1.388 -5.097 1.00 0.00 C ATOM 154 O ARG A 10 -9.339 -0.525 -5.857 1.00 0.00 O ATOM 155 CB ARG A 10 -9.677 -3.759 -5.422 1.00 0.00 C ATOM 156 CG ARG A 10 -10.903 -3.464 -6.268 1.00 0.00 C ATOM 157 CD ARG A 10 -11.831 -4.665 -6.310 1.00 0.00 C ATOM 158 NE ARG A 10 -12.245 -5.081 -4.972 1.00 0.00 N ATOM 159 CZ ARG A 10 -11.878 -6.229 -4.402 1.00 0.00 C ATOM 160 NH1 ARG A 10 -11.021 -7.036 -5.015 1.00 0.00 N ATOM 161 NH2 ARG A 10 -12.350 -6.560 -3.208 1.00 0.00 N ATOM 0 H ARG A 10 -7.459 -4.154 -4.471 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.339 -2.674 -6.697 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -9.326 -4.766 -5.649 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -9.964 -3.751 -4.370 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -11.433 -2.603 -5.860 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -10.597 -3.200 -7.280 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -12.712 -4.422 -6.904 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -11.329 -5.494 -6.809 1.00 0.00 H new ATOM 0 HE ARG A 10 -12.852 -4.455 -4.442 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -10.640 -6.779 -5.926 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -10.743 -7.913 -4.575 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -12.995 -5.936 -2.724 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -12.068 -7.439 -2.774 1.00 0.00 H new ATOM 175 N VAL A 11 -8.693 -1.175 -3.797 1.00 0.00 N ATOM 176 CA VAL A 11 -8.933 0.134 -3.194 1.00 0.00 C ATOM 177 C VAL A 11 -8.043 1.191 -3.834 1.00 0.00 C ATOM 178 O VAL A 11 -8.511 2.275 -4.178 1.00 0.00 O ATOM 179 CB VAL A 11 -8.695 0.128 -1.663 1.00 0.00 C ATOM 180 CG1 VAL A 11 -8.766 1.537 -1.090 1.00 0.00 C ATOM 181 CG2 VAL A 11 -9.708 -0.761 -0.968 1.00 0.00 C ATOM 0 H VAL A 11 -8.368 -1.888 -3.144 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.981 0.373 -3.374 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.695 -0.267 -1.486 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -8.595 1.501 -0.014 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -8.003 2.159 -1.558 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.751 1.961 -1.287 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.524 -0.752 0.106 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -10.714 -0.391 -1.167 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.616 -1.780 -1.343 1.00 0.00 H new ATOM 191 N LEU A 12 -6.768 0.859 -4.010 1.00 0.00 N ATOM 192 CA LEU A 12 -5.809 1.784 -4.598 1.00 0.00 C ATOM 193 C LEU A 12 -6.250 2.205 -5.996 1.00 0.00 C ATOM 194 O LEU A 12 -6.278 3.391 -6.315 1.00 0.00 O ATOM 195 CB LEU A 12 -4.416 1.152 -4.656 1.00 0.00 C ATOM 196 CG LEU A 12 -3.834 0.737 -3.303 1.00 0.00 C ATOM 197 CD1 LEU A 12 -2.450 0.148 -3.479 1.00 0.00 C ATOM 198 CD2 LEU A 12 -3.784 1.919 -2.353 1.00 0.00 C ATOM 0 H LEU A 12 -6.375 -0.047 -3.753 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.766 2.671 -3.965 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.459 0.274 -5.300 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.733 1.859 -5.126 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.486 -0.024 -2.873 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.051 -0.142 -2.507 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.507 -0.729 -4.124 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.794 0.890 -3.934 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.367 1.601 -1.398 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.157 2.702 -2.779 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.792 2.304 -2.198 1.00 0.00 H new ATOM 210 N GLU A 13 -6.614 1.227 -6.817 1.00 0.00 N ATOM 211 CA GLU A 13 -7.061 1.493 -8.180 1.00 0.00 C ATOM 212 C GLU A 13 -8.269 2.432 -8.157 1.00 0.00 C ATOM 213 O GLU A 13 -8.336 3.404 -8.910 1.00 0.00 O ATOM 214 CB GLU A 13 -7.421 0.173 -8.872 1.00 0.00 C ATOM 215 CG GLU A 13 -7.168 0.154 -10.375 1.00 0.00 C ATOM 216 CD GLU A 13 -8.066 1.094 -11.154 1.00 0.00 C ATOM 217 OE1 GLU A 13 -9.239 0.742 -11.391 1.00 0.00 O ATOM 218 OE2 GLU A 13 -7.597 2.178 -11.554 1.00 0.00 O ATOM 0 H GLU A 13 -6.608 0.239 -6.562 1.00 0.00 H new ATOM 0 HA GLU A 13 -6.257 1.974 -8.738 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.849 -0.632 -8.410 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.474 -0.041 -8.692 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -6.128 0.420 -10.563 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.310 -0.861 -10.746 1.00 0.00 H new ATOM 225 N LYS A 14 -9.195 2.151 -7.247 1.00 0.00 N ATOM 226 CA LYS A 14 -10.412 2.943 -7.098 1.00 0.00 C ATOM 227 C LYS A 14 -10.078 4.356 -6.624 1.00 0.00 C ATOM 228 O LYS A 14 -10.714 5.334 -7.020 1.00 0.00 O ATOM 229 CB LYS A 14 -11.332 2.264 -6.086 1.00 0.00 C ATOM 230 CG LYS A 14 -12.807 2.578 -6.279 1.00 0.00 C ATOM 231 CD LYS A 14 -13.689 1.698 -5.402 1.00 0.00 C ATOM 232 CE LYS A 14 -13.528 0.225 -5.754 1.00 0.00 C ATOM 233 NZ LYS A 14 -14.428 -0.646 -4.951 1.00 0.00 N ATOM 0 H LYS A 14 -9.125 1.371 -6.594 1.00 0.00 H new ATOM 0 HA LYS A 14 -10.911 3.012 -8.064 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -11.190 1.185 -6.149 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -11.036 2.566 -5.082 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -12.990 3.626 -6.043 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -13.076 2.435 -7.326 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -13.433 1.853 -4.354 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -14.732 1.991 -5.522 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -13.737 0.082 -6.814 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -12.493 -0.075 -5.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -14.284 -1.639 -5.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -14.212 -0.530 -3.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -15.418 -0.378 -5.127 1.00 0.00 H new ATOM 247 N ALA A 15 -9.067 4.443 -5.776 1.00 0.00 N ATOM 248 CA ALA A 15 -8.620 5.716 -5.209 1.00 0.00 C ATOM 249 C ALA A 15 -7.864 6.577 -6.229 1.00 0.00 C ATOM 250 O ALA A 15 -7.299 7.615 -5.877 1.00 0.00 O ATOM 251 CB ALA A 15 -7.753 5.467 -3.984 1.00 0.00 C ATOM 0 H ALA A 15 -8.529 3.637 -5.458 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.511 6.272 -4.918 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.426 6.421 -3.570 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -8.329 4.925 -3.234 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.882 4.877 -4.269 1.00 0.00 H new ATOM 257 N GLY A 16 -7.853 6.153 -7.487 1.00 0.00 N ATOM 258 CA GLY A 16 -7.256 6.962 -8.535 1.00 0.00 C ATOM 259 C GLY A 16 -5.780 6.689 -8.715 1.00 0.00 C ATOM 260 O GLY A 16 -5.002 7.601 -8.989 1.00 0.00 O ATOM 0 H GLY A 16 -8.246 5.265 -7.801 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.774 6.771 -9.475 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.400 8.017 -8.300 1.00 0.00 H new ATOM 264 N PHE A 17 -5.388 5.438 -8.555 1.00 0.00 N ATOM 265 CA PHE A 17 -3.994 5.053 -8.694 1.00 0.00 C ATOM 266 C PHE A 17 -3.722 4.417 -10.054 1.00 0.00 C ATOM 267 O PHE A 17 -4.623 4.260 -10.875 1.00 0.00 O ATOM 268 CB PHE A 17 -3.598 4.072 -7.598 1.00 0.00 C ATOM 269 CG PHE A 17 -3.218 4.711 -6.289 1.00 0.00 C ATOM 270 CD1 PHE A 17 -4.158 5.383 -5.524 1.00 0.00 C ATOM 271 CD2 PHE A 17 -1.920 4.624 -5.818 1.00 0.00 C ATOM 272 CE1 PHE A 17 -3.809 5.957 -4.319 1.00 0.00 C ATOM 273 CE2 PHE A 17 -1.564 5.199 -4.613 1.00 0.00 C ATOM 274 CZ PHE A 17 -2.510 5.866 -3.862 1.00 0.00 C ATOM 0 H PHE A 17 -6.017 4.668 -8.328 1.00 0.00 H new ATOM 0 HA PHE A 17 -3.399 5.962 -8.607 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.428 3.387 -7.425 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.759 3.473 -7.951 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -5.176 5.458 -5.875 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.176 4.100 -6.399 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -4.552 6.478 -3.733 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.546 5.126 -4.259 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.235 6.316 -2.919 1.00 0.00 H new ATOM 284 N THR A 18 -2.467 4.054 -10.267 1.00 0.00 N ATOM 285 CA THR A 18 -2.031 3.391 -11.485 1.00 0.00 C ATOM 286 C THR A 18 -1.028 2.291 -11.145 1.00 0.00 C ATOM 287 O THR A 18 -0.421 2.321 -10.078 1.00 0.00 O ATOM 288 CB THR A 18 -1.390 4.396 -12.467 1.00 0.00 C ATOM 289 OG1 THR A 18 -0.546 5.307 -11.748 1.00 0.00 O ATOM 290 CG2 THR A 18 -2.453 5.174 -13.231 1.00 0.00 C ATOM 0 H THR A 18 -1.717 4.213 -9.594 1.00 0.00 H new ATOM 0 HA THR A 18 -2.906 2.953 -11.966 1.00 0.00 H new ATOM 0 HB THR A 18 -0.795 3.835 -13.187 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.488 5.029 -10.810 1.00 0.00 H new ATOM 0 HG21 THR A 18 -1.971 5.873 -13.914 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.073 4.481 -13.799 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.076 5.726 -12.527 1.00 0.00 H new ATOM 298 N VAL A 19 -0.868 1.325 -12.036 1.00 0.00 N ATOM 299 CA VAL A 19 0.049 0.210 -11.802 1.00 0.00 C ATOM 300 C VAL A 19 1.278 0.314 -12.712 1.00 0.00 C ATOM 301 O VAL A 19 1.152 0.566 -13.913 1.00 0.00 O ATOM 302 CB VAL A 19 -0.670 -1.151 -12.017 1.00 0.00 C ATOM 303 CG1 VAL A 19 -1.201 -1.280 -13.437 1.00 0.00 C ATOM 304 CG2 VAL A 19 0.248 -2.315 -11.685 1.00 0.00 C ATOM 0 H VAL A 19 -1.359 1.287 -12.929 1.00 0.00 H new ATOM 0 HA VAL A 19 0.383 0.263 -10.766 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.520 -1.180 -11.335 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.698 -2.243 -13.554 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.913 -0.478 -13.634 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.373 -1.211 -14.143 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.282 -3.254 -11.845 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.127 -2.280 -12.329 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.559 -2.247 -10.643 1.00 0.00 H new ATOM 314 N ASP A 20 2.469 0.152 -12.138 1.00 0.00 N ATOM 315 CA ASP A 20 3.693 0.175 -12.937 1.00 0.00 C ATOM 316 C ASP A 20 4.145 -1.235 -13.247 1.00 0.00 C ATOM 317 O ASP A 20 4.690 -1.499 -14.318 1.00 0.00 O ATOM 318 CB ASP A 20 4.841 0.934 -12.249 1.00 0.00 C ATOM 319 CG ASP A 20 5.486 0.183 -11.096 1.00 0.00 C ATOM 320 OD1 ASP A 20 4.827 -0.002 -10.061 1.00 0.00 O ATOM 321 OD2 ASP A 20 6.676 -0.200 -11.229 1.00 0.00 O ATOM 0 H ASP A 20 2.612 0.006 -11.139 1.00 0.00 H new ATOM 0 HA ASP A 20 3.451 0.706 -13.858 1.00 0.00 H new ATOM 0 HB2 ASP A 20 5.606 1.163 -12.991 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.461 1.886 -11.879 1.00 0.00 H new ATOM 326 N VAL A 21 3.907 -2.137 -12.313 1.00 0.00 N ATOM 327 CA VAL A 21 4.340 -3.509 -12.466 1.00 0.00 C ATOM 328 C VAL A 21 3.324 -4.464 -11.842 1.00 0.00 C ATOM 329 O VAL A 21 2.731 -4.163 -10.809 1.00 0.00 O ATOM 330 CB VAL A 21 5.740 -3.708 -11.833 1.00 0.00 C ATOM 331 CG1 VAL A 21 5.692 -3.626 -10.309 1.00 0.00 C ATOM 332 CG2 VAL A 21 6.360 -5.009 -12.300 1.00 0.00 C ATOM 0 H VAL A 21 3.416 -1.942 -11.441 1.00 0.00 H new ATOM 0 HA VAL A 21 4.410 -3.734 -13.530 1.00 0.00 H new ATOM 0 HB VAL A 21 6.375 -2.890 -12.173 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.694 -3.771 -9.905 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.318 -2.647 -10.009 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.030 -4.401 -9.924 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.342 -5.128 -11.843 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.721 -5.842 -12.008 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.464 -4.994 -13.385 1.00 0.00 H new ATOM 342 N VAL A 22 3.090 -5.596 -12.483 1.00 0.00 N ATOM 343 CA VAL A 22 2.168 -6.579 -11.946 1.00 0.00 C ATOM 344 C VAL A 22 2.788 -7.972 -11.984 1.00 0.00 C ATOM 345 O VAL A 22 3.138 -8.490 -13.045 1.00 0.00 O ATOM 346 CB VAL A 22 0.801 -6.559 -12.686 1.00 0.00 C ATOM 347 CG1 VAL A 22 0.968 -6.793 -14.181 1.00 0.00 C ATOM 348 CG2 VAL A 22 -0.154 -7.582 -12.086 1.00 0.00 C ATOM 0 H VAL A 22 3.523 -5.855 -13.370 1.00 0.00 H new ATOM 0 HA VAL A 22 1.974 -6.313 -10.907 1.00 0.00 H new ATOM 0 HB VAL A 22 0.372 -5.566 -12.553 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.009 -6.772 -14.664 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.599 -6.011 -14.604 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.434 -7.764 -14.347 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.104 -7.550 -12.620 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.278 -8.579 -12.174 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.321 -7.351 -11.034 1.00 0.00 H new ATOM 358 N THR A 23 2.961 -8.560 -10.812 1.00 0.00 N ATOM 359 CA THR A 23 3.515 -9.896 -10.710 1.00 0.00 C ATOM 360 C THR A 23 2.622 -10.761 -9.835 1.00 0.00 C ATOM 361 O THR A 23 1.859 -10.243 -9.017 1.00 0.00 O ATOM 362 CB THR A 23 4.947 -9.885 -10.132 1.00 0.00 C ATOM 363 OG1 THR A 23 4.953 -9.311 -8.816 1.00 0.00 O ATOM 364 CG2 THR A 23 5.894 -9.104 -11.034 1.00 0.00 C ATOM 0 H THR A 23 2.725 -8.131 -9.917 1.00 0.00 H new ATOM 0 HA THR A 23 3.563 -10.308 -11.718 1.00 0.00 H new ATOM 0 HB THR A 23 5.291 -10.918 -10.075 1.00 0.00 H new ATOM 0 HG1 THR A 23 5.820 -9.478 -8.390 1.00 0.00 H new ATOM 0 HG21 THR A 23 6.895 -9.112 -10.604 1.00 0.00 H new ATOM 0 HG22 THR A 23 5.919 -9.565 -12.021 1.00 0.00 H new ATOM 0 HG23 THR A 23 5.546 -8.075 -11.123 1.00 0.00 H new ATOM 372 N ASN A 24 2.742 -12.073 -9.986 1.00 0.00 N ATOM 373 CA ASN A 24 1.926 -13.014 -9.229 1.00 0.00 C ATOM 374 C ASN A 24 2.283 -12.955 -7.746 1.00 0.00 C ATOM 375 O ASN A 24 1.547 -13.447 -6.892 1.00 0.00 O ATOM 376 CB ASN A 24 2.120 -14.435 -9.774 1.00 0.00 C ATOM 377 CG ASN A 24 1.286 -15.479 -9.048 1.00 0.00 C ATOM 378 OD1 ASN A 24 1.743 -16.103 -8.090 1.00 0.00 O ATOM 379 ND2 ASN A 24 0.058 -15.679 -9.502 1.00 0.00 N ATOM 0 H ASN A 24 3.400 -12.512 -10.630 1.00 0.00 H new ATOM 0 HA ASN A 24 0.877 -12.738 -9.339 1.00 0.00 H new ATOM 0 HB2 ASN A 24 1.863 -14.448 -10.833 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.173 -14.705 -9.698 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -0.545 -16.370 -9.055 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -0.285 -15.142 -10.299 1.00 0.00 H new ATOM 386 N LYS A 25 3.413 -12.327 -7.453 1.00 0.00 N ATOM 387 CA LYS A 25 3.874 -12.170 -6.083 1.00 0.00 C ATOM 388 C LYS A 25 3.359 -10.867 -5.465 1.00 0.00 C ATOM 389 O LYS A 25 3.052 -10.819 -4.274 1.00 0.00 O ATOM 390 CB LYS A 25 5.406 -12.207 -6.044 1.00 0.00 C ATOM 391 CG LYS A 25 5.999 -11.893 -4.678 1.00 0.00 C ATOM 392 CD LYS A 25 7.512 -12.046 -4.667 1.00 0.00 C ATOM 393 CE LYS A 25 7.935 -13.509 -4.721 1.00 0.00 C ATOM 394 NZ LYS A 25 7.293 -14.314 -3.646 1.00 0.00 N ATOM 0 H LYS A 25 4.031 -11.915 -8.153 1.00 0.00 H new ATOM 0 HA LYS A 25 3.476 -12.996 -5.493 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.743 -13.195 -6.356 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.795 -11.493 -6.770 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.735 -10.874 -4.393 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.562 -12.556 -3.931 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.937 -11.513 -5.518 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.917 -11.584 -3.767 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.673 -13.927 -5.693 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.019 -13.577 -4.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.914 -15.107 -3.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.133 -13.714 -2.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.382 -14.684 -3.986 1.00 0.00 H new ATOM 408 N THR A 26 3.239 -9.818 -6.273 1.00 0.00 N ATOM 409 CA THR A 26 2.912 -8.499 -5.745 1.00 0.00 C ATOM 410 C THR A 26 2.596 -7.498 -6.863 1.00 0.00 C ATOM 411 O THR A 26 3.053 -7.647 -8.001 1.00 0.00 O ATOM 412 CB THR A 26 4.072 -7.967 -4.860 1.00 0.00 C ATOM 413 OG1 THR A 26 3.830 -6.618 -4.451 1.00 0.00 O ATOM 414 CG2 THR A 26 5.404 -8.047 -5.590 1.00 0.00 C ATOM 0 H THR A 26 3.362 -9.855 -7.285 1.00 0.00 H new ATOM 0 HA THR A 26 2.015 -8.605 -5.134 1.00 0.00 H new ATOM 0 HB THR A 26 4.119 -8.602 -3.975 1.00 0.00 H new ATOM 0 HG1 THR A 26 2.864 -6.459 -4.404 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.196 -7.667 -4.944 1.00 0.00 H new ATOM 0 HG22 THR A 26 5.614 -9.084 -5.851 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.358 -7.447 -6.499 1.00 0.00 H new ATOM 422 N TYR A 27 1.789 -6.495 -6.528 1.00 0.00 N ATOM 423 CA TYR A 27 1.440 -5.428 -7.455 1.00 0.00 C ATOM 424 C TYR A 27 2.293 -4.198 -7.183 1.00 0.00 C ATOM 425 O TYR A 27 2.568 -3.873 -6.032 1.00 0.00 O ATOM 426 CB TYR A 27 -0.029 -5.016 -7.302 1.00 0.00 C ATOM 427 CG TYR A 27 -1.034 -6.124 -7.481 1.00 0.00 C ATOM 428 CD1 TYR A 27 -1.411 -6.548 -8.746 1.00 0.00 C ATOM 429 CD2 TYR A 27 -1.628 -6.727 -6.380 1.00 0.00 C ATOM 430 CE1 TYR A 27 -2.349 -7.545 -8.912 1.00 0.00 C ATOM 431 CE2 TYR A 27 -2.570 -7.723 -6.536 1.00 0.00 C ATOM 432 CZ TYR A 27 -2.929 -8.129 -7.803 1.00 0.00 C ATOM 433 OH TYR A 27 -3.864 -9.125 -7.965 1.00 0.00 O ATOM 0 H TYR A 27 1.360 -6.401 -5.607 1.00 0.00 H new ATOM 0 HA TYR A 27 1.613 -5.807 -8.462 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.165 -4.582 -6.312 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.246 -4.231 -8.027 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -0.963 -6.090 -9.615 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -1.348 -6.411 -5.386 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -2.629 -7.867 -9.904 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.024 -8.182 -5.670 1.00 0.00 H new ATOM 0 HH TYR A 27 -4.173 -9.430 -7.086 1.00 0.00 H new ATOM 443 N GLY A 28 2.693 -3.516 -8.236 1.00 0.00 N ATOM 444 CA GLY A 28 3.360 -2.242 -8.086 1.00 0.00 C ATOM 445 C GLY A 28 2.431 -1.104 -8.437 1.00 0.00 C ATOM 446 O GLY A 28 2.071 -0.924 -9.600 1.00 0.00 O ATOM 0 H GLY A 28 2.568 -3.822 -9.201 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.710 -2.128 -7.060 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.240 -2.210 -8.728 1.00 0.00 H new ATOM 450 N TYR A 29 2.021 -0.356 -7.436 1.00 0.00 N ATOM 451 CA TYR A 29 1.044 0.696 -7.624 1.00 0.00 C ATOM 452 C TYR A 29 1.644 2.069 -7.347 1.00 0.00 C ATOM 453 O TYR A 29 2.586 2.202 -6.570 1.00 0.00 O ATOM 454 CB TYR A 29 -0.155 0.428 -6.719 1.00 0.00 C ATOM 455 CG TYR A 29 -1.316 -0.206 -7.448 1.00 0.00 C ATOM 456 CD1 TYR A 29 -1.404 -1.584 -7.581 1.00 0.00 C ATOM 457 CD2 TYR A 29 -2.313 0.574 -8.017 1.00 0.00 C ATOM 458 CE1 TYR A 29 -2.454 -2.169 -8.259 1.00 0.00 C ATOM 459 CE2 TYR A 29 -3.365 -0.003 -8.699 1.00 0.00 C ATOM 460 CZ TYR A 29 -3.432 -1.375 -8.817 1.00 0.00 C ATOM 461 OH TYR A 29 -4.475 -1.956 -9.504 1.00 0.00 O ATOM 0 H TYR A 29 2.352 -0.458 -6.476 1.00 0.00 H new ATOM 0 HA TYR A 29 0.719 0.697 -8.664 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.153 -0.224 -5.901 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -0.483 1.367 -6.272 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.638 -2.209 -7.147 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -2.265 1.649 -7.925 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -2.509 -3.244 -8.352 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -4.132 0.617 -9.138 1.00 0.00 H new ATOM 0 HH TYR A 29 -4.658 -2.844 -9.131 1.00 0.00 H new ATOM 471 N ARG A 30 1.104 3.088 -8.001 1.00 0.00 N ATOM 472 CA ARG A 30 1.608 4.442 -7.853 1.00 0.00 C ATOM 473 C ARG A 30 0.526 5.465 -8.199 1.00 0.00 C ATOM 474 O ARG A 30 -0.405 5.171 -8.945 1.00 0.00 O ATOM 475 CB ARG A 30 2.823 4.648 -8.765 1.00 0.00 C ATOM 476 CG ARG A 30 2.464 4.804 -10.235 1.00 0.00 C ATOM 477 CD ARG A 30 3.699 4.841 -11.120 1.00 0.00 C ATOM 478 NE ARG A 30 3.425 5.487 -12.404 1.00 0.00 N ATOM 479 CZ ARG A 30 3.397 4.857 -13.578 1.00 0.00 C ATOM 480 NH1 ARG A 30 3.620 3.553 -13.651 1.00 0.00 N ATOM 481 NH2 ARG A 30 3.147 5.539 -14.688 1.00 0.00 N ATOM 0 H ARG A 30 0.314 3.000 -8.641 1.00 0.00 H new ATOM 0 HA ARG A 30 1.903 4.587 -6.814 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.367 5.534 -8.437 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.498 3.800 -8.653 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.823 3.978 -10.542 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.891 5.721 -10.373 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.499 5.375 -10.607 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.054 3.825 -11.292 1.00 0.00 H new ATOM 0 HE ARG A 30 3.243 6.491 -12.400 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.816 3.021 -12.803 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.596 3.081 -14.555 1.00 0.00 H new ATOM 0 HH21 ARG A 30 2.977 6.544 -14.642 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.125 5.059 -15.588 1.00 0.00 H new ATOM 495 N ARG A 31 0.649 6.656 -7.637 1.00 0.00 N ATOM 496 CA ARG A 31 -0.211 7.775 -8.001 1.00 0.00 C ATOM 497 C ARG A 31 0.635 9.038 -8.067 1.00 0.00 C ATOM 498 O ARG A 31 0.846 9.719 -7.059 1.00 0.00 O ATOM 499 CB ARG A 31 -1.369 7.944 -7.007 1.00 0.00 C ATOM 500 CG ARG A 31 -2.407 8.965 -7.451 1.00 0.00 C ATOM 501 CD ARG A 31 -3.625 8.973 -6.538 1.00 0.00 C ATOM 502 NE ARG A 31 -3.331 9.530 -5.216 1.00 0.00 N ATOM 503 CZ ARG A 31 -4.208 9.574 -4.208 1.00 0.00 C ATOM 504 NH1 ARG A 31 -5.426 9.059 -4.346 1.00 0.00 N ATOM 505 NH2 ARG A 31 -3.857 10.131 -3.055 1.00 0.00 N ATOM 0 H ARG A 31 1.341 6.876 -6.921 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.658 7.578 -8.975 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.857 6.980 -6.863 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.966 8.244 -6.040 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.957 9.958 -7.464 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.720 8.744 -8.471 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.421 9.553 -7.004 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.997 7.955 -6.425 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.398 9.908 -5.054 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -5.699 8.625 -5.228 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.087 9.098 -3.570 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.922 10.523 -2.942 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -4.522 10.167 -2.283 1.00 0.00 H new ATOM 519 N GLY A 32 1.150 9.321 -9.252 1.00 0.00 N ATOM 520 CA GLY A 32 2.101 10.398 -9.404 1.00 0.00 C ATOM 521 C GLY A 32 3.491 9.948 -9.009 1.00 0.00 C ATOM 522 O GLY A 32 3.952 8.897 -9.454 1.00 0.00 O ATOM 0 H GLY A 32 0.925 8.822 -10.113 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.105 10.742 -10.438 1.00 0.00 H new ATOM 0 HA3 GLY A 32 1.799 11.245 -8.788 1.00 0.00 H new ATOM 526 N GLU A 33 4.145 10.715 -8.150 1.00 0.00 N ATOM 527 CA GLU A 33 5.470 10.359 -7.659 1.00 0.00 C ATOM 528 C GLU A 33 5.362 9.629 -6.324 1.00 0.00 C ATOM 529 O GLU A 33 6.339 9.501 -5.586 1.00 0.00 O ATOM 530 CB GLU A 33 6.334 11.612 -7.512 1.00 0.00 C ATOM 531 CG GLU A 33 6.624 12.306 -8.832 1.00 0.00 C ATOM 532 CD GLU A 33 7.421 11.439 -9.783 1.00 0.00 C ATOM 533 OE1 GLU A 33 8.662 11.382 -9.643 1.00 0.00 O ATOM 534 OE2 GLU A 33 6.816 10.821 -10.684 1.00 0.00 O ATOM 0 H GLU A 33 3.779 11.591 -7.777 1.00 0.00 H new ATOM 0 HA GLU A 33 5.942 9.693 -8.381 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.833 12.313 -6.844 1.00 0.00 H new ATOM 0 HB3 GLU A 33 7.277 11.340 -7.039 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.683 12.587 -9.305 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.173 13.228 -8.641 1.00 0.00 H new ATOM 541 N ASN A 34 4.167 9.147 -6.022 1.00 0.00 N ATOM 542 CA ASN A 34 3.928 8.397 -4.796 1.00 0.00 C ATOM 543 C ASN A 34 3.671 6.939 -5.141 1.00 0.00 C ATOM 544 O ASN A 34 2.839 6.644 -5.999 1.00 0.00 O ATOM 545 CB ASN A 34 2.736 8.982 -4.035 1.00 0.00 C ATOM 546 CG ASN A 34 2.913 10.458 -3.733 1.00 0.00 C ATOM 547 OD1 ASN A 34 3.517 10.829 -2.730 1.00 0.00 O ATOM 548 ND2 ASN A 34 2.378 11.311 -4.595 1.00 0.00 N ATOM 0 H ASN A 34 3.343 9.262 -6.612 1.00 0.00 H new ATOM 0 HA ASN A 34 4.807 8.467 -4.155 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.828 8.840 -4.622 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.601 8.436 -3.101 1.00 0.00 H new ATOM 0 HD21 ASN A 34 2.461 12.315 -4.437 1.00 0.00 H new ATOM 0 HD22 ASN A 34 1.884 10.963 -5.417 1.00 0.00 H new ATOM 555 N TYR A 35 4.382 6.033 -4.478 1.00 0.00 N ATOM 556 CA TYR A 35 4.369 4.622 -4.857 1.00 0.00 C ATOM 557 C TYR A 35 3.942 3.732 -3.692 1.00 0.00 C ATOM 558 O TYR A 35 4.240 4.025 -2.534 1.00 0.00 O ATOM 559 CB TYR A 35 5.759 4.201 -5.345 1.00 0.00 C ATOM 560 CG TYR A 35 6.309 5.083 -6.447 1.00 0.00 C ATOM 561 CD1 TYR A 35 7.051 6.220 -6.149 1.00 0.00 C ATOM 562 CD2 TYR A 35 6.082 4.783 -7.785 1.00 0.00 C ATOM 563 CE1 TYR A 35 7.547 7.031 -7.149 1.00 0.00 C ATOM 564 CE2 TYR A 35 6.579 5.592 -8.792 1.00 0.00 C ATOM 565 CZ TYR A 35 7.310 6.713 -8.466 1.00 0.00 C ATOM 566 OH TYR A 35 7.806 7.524 -9.461 1.00 0.00 O ATOM 0 H TYR A 35 4.974 6.249 -3.676 1.00 0.00 H new ATOM 0 HA TYR A 35 3.643 4.499 -5.660 1.00 0.00 H new ATOM 0 HB2 TYR A 35 6.450 4.214 -4.502 1.00 0.00 H new ATOM 0 HB3 TYR A 35 5.713 3.173 -5.703 1.00 0.00 H new ATOM 0 HD1 TYR A 35 7.243 6.473 -5.117 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.509 3.905 -8.043 1.00 0.00 H new ATOM 0 HE1 TYR A 35 8.119 7.912 -6.899 1.00 0.00 H new ATOM 0 HE2 TYR A 35 6.395 5.346 -9.827 1.00 0.00 H new ATOM 0 HH TYR A 35 7.553 7.161 -10.335 1.00 0.00 H new ATOM 576 N VAL A 36 3.239 2.651 -4.019 1.00 0.00 N ATOM 577 CA VAL A 36 2.789 1.667 -3.039 1.00 0.00 C ATOM 578 C VAL A 36 2.766 0.269 -3.659 1.00 0.00 C ATOM 579 O VAL A 36 2.087 0.030 -4.650 1.00 0.00 O ATOM 580 CB VAL A 36 1.379 1.990 -2.482 1.00 0.00 C ATOM 581 CG1 VAL A 36 1.446 3.109 -1.458 1.00 0.00 C ATOM 582 CG2 VAL A 36 0.418 2.361 -3.602 1.00 0.00 C ATOM 0 H VAL A 36 2.964 2.432 -4.977 1.00 0.00 H new ATOM 0 HA VAL A 36 3.499 1.703 -2.213 1.00 0.00 H new ATOM 0 HB VAL A 36 1.004 1.091 -1.992 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.445 3.318 -1.081 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.089 2.808 -0.631 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.852 4.006 -1.925 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.563 2.582 -3.181 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.794 3.239 -4.128 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.334 1.528 -4.300 1.00 0.00 H new ATOM 592 N TYR A 37 3.514 -0.650 -3.082 1.00 0.00 N ATOM 593 CA TYR A 37 3.539 -2.019 -3.576 1.00 0.00 C ATOM 594 C TYR A 37 2.574 -2.884 -2.776 1.00 0.00 C ATOM 595 O TYR A 37 2.640 -2.931 -1.545 1.00 0.00 O ATOM 596 CB TYR A 37 4.957 -2.586 -3.511 1.00 0.00 C ATOM 597 CG TYR A 37 5.893 -1.975 -4.531 1.00 0.00 C ATOM 598 CD1 TYR A 37 5.977 -2.495 -5.816 1.00 0.00 C ATOM 599 CD2 TYR A 37 6.691 -0.881 -4.213 1.00 0.00 C ATOM 600 CE1 TYR A 37 6.829 -1.946 -6.755 1.00 0.00 C ATOM 601 CE2 TYR A 37 7.546 -0.327 -5.149 1.00 0.00 C ATOM 602 CZ TYR A 37 7.612 -0.865 -6.418 1.00 0.00 C ATOM 603 OH TYR A 37 8.462 -0.322 -7.354 1.00 0.00 O ATOM 0 H TYR A 37 4.112 -0.478 -2.273 1.00 0.00 H new ATOM 0 HA TYR A 37 3.221 -2.021 -4.619 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.361 -2.421 -2.512 1.00 0.00 H new ATOM 0 HB3 TYR A 37 4.917 -3.664 -3.665 1.00 0.00 H new ATOM 0 HD1 TYR A 37 5.366 -3.343 -6.086 1.00 0.00 H new ATOM 0 HD2 TYR A 37 6.642 -0.458 -3.221 1.00 0.00 H new ATOM 0 HE1 TYR A 37 6.881 -2.363 -7.750 1.00 0.00 H new ATOM 0 HE2 TYR A 37 8.159 0.523 -4.888 1.00 0.00 H new ATOM 0 HH TYR A 37 8.964 -1.039 -7.795 1.00 0.00 H new ATOM 613 N VAL A 38 1.666 -3.545 -3.480 1.00 0.00 N ATOM 614 CA VAL A 38 0.664 -4.391 -2.843 1.00 0.00 C ATOM 615 C VAL A 38 1.130 -5.834 -2.842 1.00 0.00 C ATOM 616 O VAL A 38 1.202 -6.473 -3.891 1.00 0.00 O ATOM 617 CB VAL A 38 -0.698 -4.313 -3.555 1.00 0.00 C ATOM 618 CG1 VAL A 38 -1.775 -5.000 -2.727 1.00 0.00 C ATOM 619 CG2 VAL A 38 -1.071 -2.873 -3.843 1.00 0.00 C ATOM 0 H VAL A 38 1.602 -3.512 -4.497 1.00 0.00 H new ATOM 0 HA VAL A 38 0.540 -4.027 -1.823 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.618 -4.836 -4.508 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.731 -4.934 -3.247 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.511 -6.048 -2.584 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.855 -4.510 -1.756 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.037 -2.841 -4.347 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.131 -2.319 -2.907 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.313 -2.422 -4.483 1.00 0.00 H new ATOM 629 N ASN A 39 1.439 -6.348 -1.674 1.00 0.00 N ATOM 630 CA ASN A 39 2.044 -7.660 -1.561 1.00 0.00 C ATOM 631 C ASN A 39 0.988 -8.745 -1.387 1.00 0.00 C ATOM 632 O ASN A 39 0.099 -8.632 -0.542 1.00 0.00 O ATOM 633 CB ASN A 39 3.008 -7.687 -0.385 1.00 0.00 C ATOM 634 CG ASN A 39 4.053 -8.767 -0.542 1.00 0.00 C ATOM 635 OD1 ASN A 39 4.444 -9.107 -1.657 1.00 0.00 O ATOM 636 ND2 ASN A 39 4.503 -9.321 0.565 1.00 0.00 N ATOM 0 H ASN A 39 1.281 -5.877 -0.783 1.00 0.00 H new ATOM 0 HA ASN A 39 2.588 -7.860 -2.484 1.00 0.00 H new ATOM 0 HB2 ASN A 39 3.498 -6.718 -0.294 1.00 0.00 H new ATOM 0 HB3 ASN A 39 2.451 -7.851 0.538 1.00 0.00 H new ATOM 0 HD21 ASN A 39 5.203 -10.062 0.517 1.00 0.00 H new ATOM 0 HD22 ASN A 39 4.152 -9.009 1.471 1.00 0.00 H new ATOM 643 N ARG A 40 1.097 -9.800 -2.184 1.00 0.00 N ATOM 644 CA ARG A 40 0.170 -10.924 -2.098 1.00 0.00 C ATOM 645 C ARG A 40 0.624 -11.918 -1.040 1.00 0.00 C ATOM 646 O ARG A 40 -0.121 -12.822 -0.664 1.00 0.00 O ATOM 647 CB ARG A 40 0.080 -11.647 -3.436 1.00 0.00 C ATOM 648 CG ARG A 40 -0.673 -10.895 -4.517 1.00 0.00 C ATOM 649 CD ARG A 40 -0.599 -11.662 -5.819 1.00 0.00 C ATOM 650 NE ARG A 40 -1.538 -11.175 -6.832 1.00 0.00 N ATOM 651 CZ ARG A 40 -1.725 -11.773 -8.011 1.00 0.00 C ATOM 652 NH1 ARG A 40 -1.047 -12.869 -8.312 1.00 0.00 N ATOM 653 NH2 ARG A 40 -2.597 -11.281 -8.883 1.00 0.00 N ATOM 0 H ARG A 40 1.818 -9.902 -2.898 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.807 -10.524 -1.828 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.090 -11.851 -3.791 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.404 -12.611 -3.280 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.714 -10.760 -4.222 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.247 -9.900 -4.645 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.415 -11.598 -6.213 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.800 -12.715 -5.624 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.078 -10.334 -6.626 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.382 -13.257 -7.643 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.190 -13.326 -9.213 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.129 -10.441 -8.654 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.735 -11.743 -9.782 1.00 0.00 H new ATOM 667 N GLU A 41 1.848 -11.742 -0.564 1.00 0.00 N ATOM 668 CA GLU A 41 2.444 -12.671 0.392 1.00 0.00 C ATOM 669 C GLU A 41 1.864 -12.468 1.791 1.00 0.00 C ATOM 670 O GLU A 41 2.285 -13.117 2.750 1.00 0.00 O ATOM 671 CB GLU A 41 3.960 -12.476 0.433 1.00 0.00 C ATOM 672 CG GLU A 41 4.610 -12.401 -0.941 1.00 0.00 C ATOM 673 CD GLU A 41 6.095 -12.100 -0.852 1.00 0.00 C ATOM 674 OE1 GLU A 41 6.473 -11.144 -0.131 1.00 0.00 O ATOM 675 OE2 GLU A 41 6.888 -12.815 -1.499 1.00 0.00 O ATOM 0 H GLU A 41 2.452 -10.962 -0.824 1.00 0.00 H new ATOM 0 HA GLU A 41 2.213 -13.685 0.067 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.184 -11.560 0.980 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.407 -13.299 0.991 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.462 -13.346 -1.464 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.118 -11.629 -1.533 1.00 0.00 H new ATOM 682 N ALA A 42 0.901 -11.564 1.910 1.00 0.00 N ATOM 683 CA ALA A 42 0.287 -11.278 3.191 1.00 0.00 C ATOM 684 C ALA A 42 -0.979 -12.098 3.379 1.00 0.00 C ATOM 685 O ALA A 42 -2.071 -11.658 3.025 1.00 0.00 O ATOM 686 CB ALA A 42 -0.017 -9.795 3.315 1.00 0.00 C ATOM 0 H ALA A 42 0.531 -11.018 1.132 1.00 0.00 H new ATOM 0 HA ALA A 42 0.991 -11.555 3.976 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.478 -9.598 4.283 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.909 -9.226 3.231 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.700 -9.496 2.520 1.00 0.00 H new ATOM 692 N ARG A 43 -0.827 -13.298 3.924 1.00 0.00 N ATOM 693 CA ARG A 43 -1.970 -14.164 4.176 1.00 0.00 C ATOM 694 C ARG A 43 -2.715 -13.674 5.408 1.00 0.00 C ATOM 695 O ARG A 43 -3.928 -13.827 5.523 1.00 0.00 O ATOM 696 CB ARG A 43 -1.534 -15.623 4.368 1.00 0.00 C ATOM 697 CG ARG A 43 -0.655 -16.153 3.243 1.00 0.00 C ATOM 698 CD ARG A 43 -0.460 -17.660 3.340 1.00 0.00 C ATOM 699 NE ARG A 43 -0.016 -18.085 4.669 1.00 0.00 N ATOM 700 CZ ARG A 43 0.685 -19.196 4.907 1.00 0.00 C ATOM 701 NH1 ARG A 43 1.070 -19.979 3.906 1.00 0.00 N ATOM 702 NH2 ARG A 43 0.996 -19.523 6.157 1.00 0.00 N ATOM 0 H ARG A 43 0.073 -13.692 4.199 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.629 -14.126 3.309 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.994 -15.710 5.311 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.422 -16.250 4.450 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -1.106 -15.906 2.282 1.00 0.00 H new ATOM 0 HG3 ARG A 43 0.316 -15.658 3.276 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -1.397 -18.160 3.097 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.273 -17.977 2.598 1.00 0.00 H new ATOM 0 HE ARG A 43 -0.258 -17.494 5.464 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.830 -19.734 2.945 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.605 -20.826 4.098 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.699 -18.926 6.929 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.531 -20.371 6.344 1.00 0.00 H new ATOM 716 N MET A 44 -1.970 -13.071 6.327 1.00 0.00 N ATOM 717 CA MET A 44 -2.555 -12.485 7.528 1.00 0.00 C ATOM 718 C MET A 44 -3.030 -11.059 7.252 1.00 0.00 C ATOM 719 O MET A 44 -3.701 -10.446 8.084 1.00 0.00 O ATOM 720 CB MET A 44 -1.531 -12.473 8.668 1.00 0.00 C ATOM 721 CG MET A 44 -1.031 -13.852 9.068 1.00 0.00 C ATOM 722 SD MET A 44 0.229 -13.781 10.358 1.00 0.00 S ATOM 723 CE MET A 44 0.654 -15.515 10.502 1.00 0.00 C ATOM 0 H MET A 44 -0.957 -12.975 6.263 1.00 0.00 H new ATOM 0 HA MET A 44 -3.411 -13.093 7.821 1.00 0.00 H new ATOM 0 HB2 MET A 44 -0.679 -11.862 8.370 1.00 0.00 H new ATOM 0 HB3 MET A 44 -1.978 -11.994 9.539 1.00 0.00 H new ATOM 0 HG2 MET A 44 -1.871 -14.453 9.417 1.00 0.00 H new ATOM 0 HG3 MET A 44 -0.622 -14.355 8.192 1.00 0.00 H new ATOM 0 HE1 MET A 44 1.424 -15.639 11.263 1.00 0.00 H new ATOM 0 HE2 MET A 44 -0.231 -16.084 10.786 1.00 0.00 H new ATOM 0 HE3 MET A 44 1.028 -15.879 9.545 1.00 0.00 H new ATOM 733 N GLY A 45 -2.678 -10.545 6.075 1.00 0.00 N ATOM 734 CA GLY A 45 -3.018 -9.178 5.718 1.00 0.00 C ATOM 735 C GLY A 45 -2.265 -8.160 6.553 1.00 0.00 C ATOM 736 O GLY A 45 -2.733 -7.041 6.756 1.00 0.00 O ATOM 0 H GLY A 45 -2.160 -11.055 5.359 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.796 -9.015 4.663 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.090 -9.028 5.846 1.00 0.00 H new ATOM 740 N ARG A 46 -1.083 -8.545 7.023 1.00 0.00 N ATOM 741 CA ARG A 46 -0.316 -7.703 7.931 1.00 0.00 C ATOM 742 C ARG A 46 0.855 -7.036 7.207 1.00 0.00 C ATOM 743 O ARG A 46 1.485 -6.124 7.733 1.00 0.00 O ATOM 744 CB ARG A 46 0.204 -8.542 9.103 1.00 0.00 C ATOM 745 CG ARG A 46 0.695 -7.716 10.276 1.00 0.00 C ATOM 746 CD ARG A 46 1.373 -8.585 11.320 1.00 0.00 C ATOM 747 NE ARG A 46 1.689 -7.833 12.530 1.00 0.00 N ATOM 748 CZ ARG A 46 2.865 -7.861 13.150 1.00 0.00 C ATOM 749 NH1 ARG A 46 3.868 -8.591 12.672 1.00 0.00 N ATOM 750 NH2 ARG A 46 3.031 -7.152 14.255 1.00 0.00 N ATOM 0 H ARG A 46 -0.637 -9.432 6.790 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.973 -6.919 8.308 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -0.591 -9.204 9.445 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.018 -9.176 8.751 1.00 0.00 H new ATOM 0 HG2 ARG A 46 1.394 -6.958 9.922 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.145 -7.189 10.729 1.00 0.00 H new ATOM 0 HD2 ARG A 46 0.724 -9.423 11.572 1.00 0.00 H new ATOM 0 HD3 ARG A 46 2.289 -9.005 10.904 1.00 0.00 H new ATOM 0 HE ARG A 46 0.957 -7.245 12.928 1.00 0.00 H new ATOM 0 HH11 ARG A 46 3.740 -9.138 11.821 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.765 -8.604 13.157 1.00 0.00 H new ATOM 0 HH21 ARG A 46 2.261 -6.592 14.622 1.00 0.00 H new ATOM 0 HH22 ARG A 46 3.928 -7.165 14.740 1.00 0.00 H new ATOM 764 N THR A 47 1.149 -7.504 6.003 1.00 0.00 N ATOM 765 CA THR A 47 2.260 -6.972 5.218 1.00 0.00 C ATOM 766 C THR A 47 1.831 -6.725 3.775 1.00 0.00 C ATOM 767 O THR A 47 2.646 -6.766 2.852 1.00 0.00 O ATOM 768 CB THR A 47 3.458 -7.947 5.241 1.00 0.00 C ATOM 769 OG1 THR A 47 3.003 -9.288 5.016 1.00 0.00 O ATOM 770 CG2 THR A 47 4.195 -7.875 6.568 1.00 0.00 C ATOM 0 H THR A 47 0.633 -8.255 5.544 1.00 0.00 H new ATOM 0 HA THR A 47 2.563 -6.025 5.665 1.00 0.00 H new ATOM 0 HB THR A 47 4.146 -7.656 4.447 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.768 -9.900 5.030 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.033 -8.571 6.557 1.00 0.00 H new ATOM 0 HG22 THR A 47 4.567 -6.862 6.723 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.514 -8.140 7.377 1.00 0.00 H new ATOM 778 N ALA A 48 0.544 -6.449 3.596 1.00 0.00 N ATOM 779 CA ALA A 48 -0.041 -6.336 2.263 1.00 0.00 C ATOM 780 C ALA A 48 0.320 -5.028 1.568 1.00 0.00 C ATOM 781 O ALA A 48 0.345 -4.963 0.344 1.00 0.00 O ATOM 782 CB ALA A 48 -1.550 -6.491 2.336 1.00 0.00 C ATOM 0 H ALA A 48 -0.116 -6.299 4.359 1.00 0.00 H new ATOM 0 HA ALA A 48 0.382 -7.142 1.663 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.973 -6.405 1.335 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.796 -7.469 2.751 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.965 -5.711 2.974 1.00 0.00 H new ATOM 788 N LEU A 49 0.605 -3.987 2.332 1.00 0.00 N ATOM 789 CA LEU A 49 0.870 -2.686 1.738 1.00 0.00 C ATOM 790 C LEU A 49 2.243 -2.180 2.136 1.00 0.00 C ATOM 791 O LEU A 49 2.520 -1.952 3.316 1.00 0.00 O ATOM 792 CB LEU A 49 -0.194 -1.664 2.141 1.00 0.00 C ATOM 793 CG LEU A 49 -0.060 -0.297 1.459 1.00 0.00 C ATOM 794 CD1 LEU A 49 -0.272 -0.425 -0.042 1.00 0.00 C ATOM 795 CD2 LEU A 49 -1.037 0.701 2.058 1.00 0.00 C ATOM 0 H LEU A 49 0.659 -4.014 3.350 1.00 0.00 H new ATOM 0 HA LEU A 49 0.838 -2.811 0.656 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.178 -2.074 1.912 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.151 -1.522 3.221 1.00 0.00 H new ATOM 0 HG LEU A 49 0.951 0.073 1.631 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.173 0.555 -0.508 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.474 -1.102 -0.458 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.269 -0.820 -0.236 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.925 1.664 1.560 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.056 0.339 1.923 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.832 0.817 3.122 1.00 0.00 H new ATOM 807 N ILE A 50 3.099 -2.012 1.152 1.00 0.00 N ATOM 808 CA ILE A 50 4.437 -1.517 1.387 1.00 0.00 C ATOM 809 C ILE A 50 4.645 -0.209 0.636 1.00 0.00 C ATOM 810 O ILE A 50 4.660 -0.182 -0.593 1.00 0.00 O ATOM 811 CB ILE A 50 5.480 -2.562 0.960 1.00 0.00 C ATOM 812 CG1 ILE A 50 5.236 -3.869 1.721 1.00 0.00 C ATOM 813 CG2 ILE A 50 6.888 -2.045 1.208 1.00 0.00 C ATOM 814 CD1 ILE A 50 6.028 -5.044 1.201 1.00 0.00 C ATOM 0 H ILE A 50 2.889 -2.213 0.174 1.00 0.00 H new ATOM 0 HA ILE A 50 4.563 -1.331 2.454 1.00 0.00 H new ATOM 0 HB ILE A 50 5.379 -2.752 -0.109 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.482 -3.716 2.772 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.174 -4.111 1.674 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.612 -2.799 0.899 1.00 0.00 H new ATOM 0 HG22 ILE A 50 7.047 -1.133 0.633 1.00 0.00 H new ATOM 0 HG23 ILE A 50 7.016 -1.832 2.269 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.798 -5.929 1.794 1.00 0.00 H new ATOM 0 HD12 ILE A 50 5.766 -5.227 0.159 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.093 -4.826 1.274 1.00 0.00 H new ATOM 826 N ILE A 51 4.783 0.878 1.383 1.00 0.00 N ATOM 827 CA ILE A 51 4.873 2.204 0.787 1.00 0.00 C ATOM 828 C ILE A 51 6.311 2.557 0.386 1.00 0.00 C ATOM 829 O ILE A 51 6.698 2.401 -0.770 1.00 0.00 O ATOM 830 CB ILE A 51 4.291 3.295 1.730 1.00 0.00 C ATOM 831 CG1 ILE A 51 4.862 3.184 3.150 1.00 0.00 C ATOM 832 CG2 ILE A 51 2.773 3.192 1.781 1.00 0.00 C ATOM 833 CD1 ILE A 51 4.515 4.361 4.036 1.00 0.00 C ATOM 0 H ILE A 51 4.835 0.868 2.402 1.00 0.00 H new ATOM 0 HA ILE A 51 4.270 2.178 -0.120 1.00 0.00 H new ATOM 0 HB ILE A 51 4.580 4.264 1.324 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.489 2.270 3.612 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.946 3.092 3.090 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.378 3.961 2.445 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.365 3.332 0.780 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.487 2.209 2.155 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.952 4.214 5.024 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.911 5.276 3.597 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.432 4.441 4.126 1.00 0.00 H new ATOM 845 N HIS A 52 7.099 3.004 1.355 1.00 0.00 N ATOM 846 CA HIS A 52 8.453 3.483 1.124 1.00 0.00 C ATOM 847 C HIS A 52 9.041 3.933 2.459 1.00 0.00 C ATOM 848 O HIS A 52 8.290 4.348 3.343 1.00 0.00 O ATOM 849 CB HIS A 52 8.431 4.660 0.123 1.00 0.00 C ATOM 850 CG HIS A 52 9.773 5.274 -0.162 1.00 0.00 C ATOM 851 ND1 HIS A 52 10.303 6.293 0.595 1.00 0.00 N ATOM 852 CD2 HIS A 52 10.696 5.000 -1.115 1.00 0.00 C ATOM 853 CE1 HIS A 52 11.492 6.618 0.132 1.00 0.00 C ATOM 854 NE2 HIS A 52 11.758 5.849 -0.908 1.00 0.00 N ATOM 0 H HIS A 52 6.812 3.044 2.333 1.00 0.00 H new ATOM 0 HA HIS A 52 9.066 2.687 0.702 1.00 0.00 H new ATOM 0 HB2 HIS A 52 8.001 4.311 -0.816 1.00 0.00 H new ATOM 0 HB3 HIS A 52 7.768 5.434 0.510 1.00 0.00 H new ATOM 0 HD1 HIS A 52 9.844 6.731 1.394 1.00 0.00 H new ATOM 0 HD2 HIS A 52 10.613 4.254 -1.892 1.00 0.00 H new ATOM 0 HE1 HIS A 52 12.139 7.383 0.534 1.00 0.00 H new ATOM 863 N PRO A 53 10.370 3.804 2.653 1.00 0.00 N ATOM 864 CA PRO A 53 11.075 4.427 3.785 1.00 0.00 C ATOM 865 C PRO A 53 10.810 5.938 3.865 1.00 0.00 C ATOM 866 O PRO A 53 9.938 6.458 3.166 1.00 0.00 O ATOM 867 CB PRO A 53 12.560 4.150 3.495 1.00 0.00 C ATOM 868 CG PRO A 53 12.613 3.632 2.095 1.00 0.00 C ATOM 869 CD PRO A 53 11.280 3.002 1.829 1.00 0.00 C ATOM 0 HA PRO A 53 10.743 4.025 4.742 1.00 0.00 H new ATOM 0 HB2 PRO A 53 13.154 5.058 3.599 1.00 0.00 H new ATOM 0 HB3 PRO A 53 12.966 3.422 4.197 1.00 0.00 H new ATOM 0 HG2 PRO A 53 12.809 4.439 1.389 1.00 0.00 H new ATOM 0 HG3 PRO A 53 13.417 2.905 1.980 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.015 3.047 0.773 1.00 0.00 H new ATOM 0 HD3 PRO A 53 11.265 1.951 2.116 1.00 0.00 H new ATOM 877 N ARG A 54 11.555 6.639 4.717 1.00 0.00 N ATOM 878 CA ARG A 54 11.373 8.084 4.932 1.00 0.00 C ATOM 879 C ARG A 54 10.080 8.375 5.705 1.00 0.00 C ATOM 880 O ARG A 54 10.078 9.130 6.674 1.00 0.00 O ATOM 881 CB ARG A 54 11.376 8.860 3.605 1.00 0.00 C ATOM 882 CG ARG A 54 11.143 10.355 3.779 1.00 0.00 C ATOM 883 CD ARG A 54 10.963 11.055 2.442 1.00 0.00 C ATOM 884 NE ARG A 54 10.784 12.498 2.603 1.00 0.00 N ATOM 885 CZ ARG A 54 10.588 13.347 1.593 1.00 0.00 C ATOM 886 NH1 ARG A 54 10.528 12.902 0.342 1.00 0.00 N ATOM 887 NH2 ARG A 54 10.441 14.641 1.837 1.00 0.00 N ATOM 0 H ARG A 54 12.301 6.229 5.279 1.00 0.00 H new ATOM 0 HA ARG A 54 12.220 8.423 5.529 1.00 0.00 H new ATOM 0 HB2 ARG A 54 12.331 8.704 3.104 1.00 0.00 H new ATOM 0 HB3 ARG A 54 10.604 8.453 2.953 1.00 0.00 H new ATOM 0 HG2 ARG A 54 10.259 10.516 4.396 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.987 10.796 4.310 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.832 10.865 1.812 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.098 10.637 1.927 1.00 0.00 H new ATOM 0 HE ARG A 54 10.811 12.880 3.549 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.632 11.906 0.150 1.00 0.00 H new ATOM 0 HH12 ARG A 54 10.378 13.557 -0.426 1.00 0.00 H new ATOM 0 HH21 ARG A 54 10.478 14.987 2.796 1.00 0.00 H new ATOM 0 HH22 ARG A 54 10.291 15.292 1.066 1.00 0.00 H new ATOM 901 N LEU A 55 8.989 7.748 5.279 1.00 0.00 N ATOM 902 CA LEU A 55 7.668 7.977 5.855 1.00 0.00 C ATOM 903 C LEU A 55 7.415 7.087 7.065 1.00 0.00 C ATOM 904 O LEU A 55 6.275 6.936 7.495 1.00 0.00 O ATOM 905 CB LEU A 55 6.596 7.711 4.796 1.00 0.00 C ATOM 906 CG LEU A 55 6.588 8.681 3.618 1.00 0.00 C ATOM 907 CD1 LEU A 55 5.614 8.210 2.550 1.00 0.00 C ATOM 908 CD2 LEU A 55 6.221 10.072 4.099 1.00 0.00 C ATOM 0 H LEU A 55 8.995 7.064 4.522 1.00 0.00 H new ATOM 0 HA LEU A 55 7.624 9.014 6.187 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.731 6.700 4.412 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.618 7.741 5.277 1.00 0.00 H new ATOM 0 HG LEU A 55 7.585 8.713 3.179 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.620 8.913 1.717 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.912 7.224 2.195 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.610 8.156 2.971 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.217 10.760 3.254 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.231 10.050 4.554 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.951 10.407 4.836 1.00 0.00 H new ATOM 920 N LYS A 56 8.480 6.527 7.619 1.00 0.00 N ATOM 921 CA LYS A 56 8.375 5.585 8.730 1.00 0.00 C ATOM 922 C LYS A 56 7.602 6.182 9.908 1.00 0.00 C ATOM 923 O LYS A 56 6.480 5.761 10.206 1.00 0.00 O ATOM 924 CB LYS A 56 9.773 5.164 9.184 1.00 0.00 C ATOM 925 CG LYS A 56 9.780 4.057 10.225 1.00 0.00 C ATOM 926 CD LYS A 56 11.195 3.735 10.673 1.00 0.00 C ATOM 927 CE LYS A 56 11.232 2.568 11.644 1.00 0.00 C ATOM 928 NZ LYS A 56 10.785 1.299 11.013 1.00 0.00 N ATOM 0 H LYS A 56 9.437 6.709 7.316 1.00 0.00 H new ATOM 0 HA LYS A 56 7.823 4.713 8.379 1.00 0.00 H new ATOM 0 HB2 LYS A 56 10.342 4.834 8.315 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.289 6.034 9.591 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.183 4.359 11.085 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.314 3.162 9.812 1.00 0.00 H new ATOM 0 HD2 LYS A 56 11.807 3.501 9.802 1.00 0.00 H new ATOM 0 HD3 LYS A 56 11.635 4.614 11.145 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.246 2.445 12.024 1.00 0.00 H new ATOM 0 HE3 LYS A 56 10.596 2.790 12.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 11.119 0.493 11.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 9.746 1.282 10.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 11.176 1.233 10.052 1.00 0.00 H new ATOM 942 N ASP A 57 8.188 7.181 10.554 1.00 0.00 N ATOM 943 CA ASP A 57 7.595 7.770 11.750 1.00 0.00 C ATOM 944 C ASP A 57 6.337 8.555 11.392 1.00 0.00 C ATOM 945 O ASP A 57 5.362 8.573 12.147 1.00 0.00 O ATOM 946 CB ASP A 57 8.608 8.675 12.451 1.00 0.00 C ATOM 947 CG ASP A 57 8.127 9.145 13.807 1.00 0.00 C ATOM 948 OD1 ASP A 57 8.009 8.304 14.725 1.00 0.00 O ATOM 949 OD2 ASP A 57 7.883 10.358 13.970 1.00 0.00 O ATOM 0 H ASP A 57 9.073 7.601 10.271 1.00 0.00 H new ATOM 0 HA ASP A 57 7.316 6.966 12.431 1.00 0.00 H new ATOM 0 HB2 ASP A 57 9.549 8.138 12.569 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.813 9.541 11.822 1.00 0.00 H new ATOM 954 N ARG A 58 6.368 9.183 10.220 1.00 0.00 N ATOM 955 CA ARG A 58 5.217 9.908 9.684 1.00 0.00 C ATOM 956 C ARG A 58 3.990 8.997 9.594 1.00 0.00 C ATOM 957 O ARG A 58 2.947 9.277 10.189 1.00 0.00 O ATOM 958 CB ARG A 58 5.572 10.471 8.299 1.00 0.00 C ATOM 959 CG ARG A 58 4.380 10.944 7.476 1.00 0.00 C ATOM 960 CD ARG A 58 3.710 12.171 8.071 1.00 0.00 C ATOM 961 NE ARG A 58 2.570 12.599 7.262 1.00 0.00 N ATOM 962 CZ ARG A 58 1.949 13.771 7.396 1.00 0.00 C ATOM 963 NH1 ARG A 58 2.331 14.636 8.327 1.00 0.00 N ATOM 964 NH2 ARG A 58 0.930 14.071 6.605 1.00 0.00 N ATOM 0 H ARG A 58 7.189 9.205 9.615 1.00 0.00 H new ATOM 0 HA ARG A 58 4.971 10.730 10.357 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.261 11.306 8.428 1.00 0.00 H new ATOM 0 HB3 ARG A 58 6.103 9.704 7.736 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.710 11.170 6.462 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.651 10.137 7.401 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.376 11.950 9.085 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.433 12.984 8.143 1.00 0.00 H new ATOM 0 HE ARG A 58 2.227 11.958 6.547 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.107 14.407 8.949 1.00 0.00 H new ATOM 0 HH12 ARG A 58 1.849 15.530 8.421 1.00 0.00 H new ATOM 0 HH21 ARG A 58 0.622 13.406 5.895 1.00 0.00 H new ATOM 0 HH22 ARG A 58 0.453 14.967 6.705 1.00 0.00 H new ATOM 978 N SER A 59 4.126 7.911 8.844 1.00 0.00 N ATOM 979 CA SER A 59 3.041 6.970 8.639 1.00 0.00 C ATOM 980 C SER A 59 2.570 6.333 9.946 1.00 0.00 C ATOM 981 O SER A 59 1.406 5.970 10.062 1.00 0.00 O ATOM 982 CB SER A 59 3.467 5.891 7.641 1.00 0.00 C ATOM 983 OG SER A 59 2.622 4.751 7.708 1.00 0.00 O ATOM 0 H SER A 59 4.990 7.661 8.363 1.00 0.00 H new ATOM 0 HA SER A 59 2.196 7.527 8.234 1.00 0.00 H new ATOM 0 HB2 SER A 59 3.446 6.301 6.631 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.496 5.594 7.843 1.00 0.00 H new ATOM 0 HG SER A 59 3.072 3.986 7.293 1.00 0.00 H new ATOM 989 N SER A 60 3.469 6.199 10.915 1.00 0.00 N ATOM 990 CA SER A 60 3.152 5.513 12.169 1.00 0.00 C ATOM 991 C SER A 60 1.995 6.180 12.927 1.00 0.00 C ATOM 992 O SER A 60 1.266 5.512 13.662 1.00 0.00 O ATOM 993 CB SER A 60 4.396 5.442 13.056 1.00 0.00 C ATOM 994 OG SER A 60 5.432 4.712 12.417 1.00 0.00 O ATOM 0 H SER A 60 4.423 6.555 10.859 1.00 0.00 H new ATOM 0 HA SER A 60 2.827 4.505 11.913 1.00 0.00 H new ATOM 0 HB2 SER A 60 4.743 6.450 13.284 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.144 4.969 14.005 1.00 0.00 H new ATOM 0 HG SER A 60 5.952 5.315 11.845 1.00 0.00 H new ATOM 1000 N SER A 61 1.818 7.485 12.747 1.00 0.00 N ATOM 1001 CA SER A 61 0.729 8.194 13.409 1.00 0.00 C ATOM 1002 C SER A 61 -0.594 7.933 12.690 1.00 0.00 C ATOM 1003 O SER A 61 -1.670 7.998 13.289 1.00 0.00 O ATOM 1004 CB SER A 61 1.021 9.697 13.453 1.00 0.00 C ATOM 1005 OG SER A 61 0.046 10.396 14.214 1.00 0.00 O ATOM 0 H SER A 61 2.408 8.068 12.154 1.00 0.00 H new ATOM 0 HA SER A 61 0.647 7.824 14.431 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.008 9.864 13.884 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.045 10.094 12.438 1.00 0.00 H new ATOM 0 HG SER A 61 0.262 11.352 14.224 1.00 0.00 H new ATOM 1011 N LEU A 62 -0.500 7.618 11.410 1.00 0.00 N ATOM 1012 CA LEU A 62 -1.677 7.411 10.583 1.00 0.00 C ATOM 1013 C LEU A 62 -2.090 5.946 10.603 1.00 0.00 C ATOM 1014 O LEU A 62 -3.201 5.605 11.008 1.00 0.00 O ATOM 1015 CB LEU A 62 -1.383 7.855 9.149 1.00 0.00 C ATOM 1016 CG LEU A 62 -0.945 9.312 8.994 1.00 0.00 C ATOM 1017 CD1 LEU A 62 -0.523 9.589 7.559 1.00 0.00 C ATOM 1018 CD2 LEU A 62 -2.069 10.251 9.409 1.00 0.00 C ATOM 0 H LEU A 62 0.385 7.499 10.918 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.498 8.006 10.982 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.603 7.213 8.740 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.277 7.695 8.546 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.089 9.488 9.646 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.214 10.630 7.465 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.310 8.938 7.292 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.362 9.398 6.890 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.742 11.284 9.293 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.942 10.074 8.780 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.330 10.068 10.451 1.00 0.00 H new ATOM 1030 N ALA A 63 -1.175 5.085 10.185 1.00 0.00 N ATOM 1031 CA ALA A 63 -1.423 3.654 10.129 1.00 0.00 C ATOM 1032 C ALA A 63 -0.184 2.896 10.568 1.00 0.00 C ATOM 1033 O ALA A 63 0.926 3.180 10.103 1.00 0.00 O ATOM 1034 CB ALA A 63 -1.828 3.240 8.726 1.00 0.00 C ATOM 0 H ALA A 63 -0.242 5.358 9.876 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.242 3.413 10.807 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.010 2.166 8.702 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.737 3.768 8.439 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -1.028 3.488 8.028 1.00 0.00 H new ATOM 1040 N ASP A 64 -0.377 1.929 11.453 1.00 0.00 N ATOM 1041 CA ASP A 64 0.732 1.212 12.062 1.00 0.00 C ATOM 1042 C ASP A 64 1.453 0.326 11.050 1.00 0.00 C ATOM 1043 O ASP A 64 0.829 -0.378 10.252 1.00 0.00 O ATOM 1044 CB ASP A 64 0.248 0.367 13.252 1.00 0.00 C ATOM 1045 CG ASP A 64 -0.685 -0.761 12.854 1.00 0.00 C ATOM 1046 OD1 ASP A 64 -1.878 -0.488 12.587 1.00 0.00 O ATOM 1047 OD2 ASP A 64 -0.245 -1.928 12.843 1.00 0.00 O ATOM 0 H ASP A 64 -1.298 1.622 11.766 1.00 0.00 H new ATOM 0 HA ASP A 64 1.440 1.958 12.423 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.113 -0.052 13.766 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.262 1.016 13.964 1.00 0.00 H new ATOM 1052 N PRO A 65 2.788 0.402 11.035 1.00 0.00 N ATOM 1053 CA PRO A 65 3.626 -0.524 10.291 1.00 0.00 C ATOM 1054 C PRO A 65 3.818 -1.814 11.074 1.00 0.00 C ATOM 1055 O PRO A 65 4.059 -1.780 12.283 1.00 0.00 O ATOM 1056 CB PRO A 65 4.964 0.221 10.141 1.00 0.00 C ATOM 1057 CG PRO A 65 4.779 1.551 10.805 1.00 0.00 C ATOM 1058 CD PRO A 65 3.596 1.412 11.721 1.00 0.00 C ATOM 0 HA PRO A 65 3.193 -0.806 9.331 1.00 0.00 H new ATOM 0 HB2 PRO A 65 5.775 -0.338 10.608 1.00 0.00 H new ATOM 0 HB3 PRO A 65 5.225 0.344 9.090 1.00 0.00 H new ATOM 0 HG2 PRO A 65 5.671 1.832 11.364 1.00 0.00 H new ATOM 0 HG3 PRO A 65 4.607 2.333 10.065 1.00 0.00 H new ATOM 0 HD2 PRO A 65 3.890 1.088 12.719 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.058 2.353 11.837 1.00 0.00 H new ATOM 1066 N ALA A 66 3.700 -2.945 10.395 1.00 0.00 N ATOM 1067 CA ALA A 66 3.807 -4.238 11.054 1.00 0.00 C ATOM 1068 C ALA A 66 5.236 -4.506 11.497 1.00 0.00 C ATOM 1069 O ALA A 66 5.535 -4.552 12.689 1.00 0.00 O ATOM 1070 CB ALA A 66 3.326 -5.343 10.133 1.00 0.00 C ATOM 0 H ALA A 66 3.531 -2.994 9.390 1.00 0.00 H new ATOM 0 HA ALA A 66 3.173 -4.219 11.941 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.413 -6.304 10.641 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.284 -5.166 9.866 1.00 0.00 H new ATOM 0 HB3 ALA A 66 3.935 -5.354 9.229 1.00 0.00 H new ATOM 1076 N SER A 67 6.115 -4.683 10.528 1.00 0.00 N ATOM 1077 CA SER A 67 7.511 -4.915 10.798 1.00 0.00 C ATOM 1078 C SER A 67 8.296 -3.615 10.679 1.00 0.00 C ATOM 1079 O SER A 67 7.708 -2.537 10.554 1.00 0.00 O ATOM 1080 CB SER A 67 8.030 -5.944 9.807 1.00 0.00 C ATOM 1081 OG SER A 67 7.273 -7.142 9.886 1.00 0.00 O ATOM 0 H SER A 67 5.877 -4.669 9.536 1.00 0.00 H new ATOM 0 HA SER A 67 7.635 -5.289 11.814 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.978 -5.541 8.796 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.079 -6.157 10.012 1.00 0.00 H new ATOM 0 HG SER A 67 7.620 -7.792 9.240 1.00 0.00 H new ATOM 1087 N ASP A 68 9.616 -3.716 10.729 1.00 0.00 N ATOM 1088 CA ASP A 68 10.471 -2.554 10.544 1.00 0.00 C ATOM 1089 C ASP A 68 10.593 -2.260 9.064 1.00 0.00 C ATOM 1090 O ASP A 68 10.231 -1.184 8.589 1.00 0.00 O ATOM 1091 CB ASP A 68 11.861 -2.808 11.129 1.00 0.00 C ATOM 1092 CG ASP A 68 12.696 -1.547 11.178 1.00 0.00 C ATOM 1093 OD1 ASP A 68 12.349 -0.632 11.952 1.00 0.00 O ATOM 1094 OD2 ASP A 68 13.695 -1.454 10.438 1.00 0.00 O ATOM 0 H ASP A 68 10.117 -4.589 10.896 1.00 0.00 H new ATOM 0 HA ASP A 68 10.027 -1.703 11.061 1.00 0.00 H new ATOM 0 HB2 ASP A 68 11.762 -3.216 12.135 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.375 -3.560 10.529 1.00 0.00 H new ATOM 1099 N ILE A 69 11.099 -3.252 8.352 1.00 0.00 N ATOM 1100 CA ILE A 69 11.243 -3.199 6.910 1.00 0.00 C ATOM 1101 C ILE A 69 11.080 -4.595 6.331 1.00 0.00 C ATOM 1102 O ILE A 69 11.326 -5.591 7.011 1.00 0.00 O ATOM 1103 CB ILE A 69 12.618 -2.644 6.474 1.00 0.00 C ATOM 1104 CG1 ILE A 69 13.727 -3.201 7.368 1.00 0.00 C ATOM 1105 CG2 ILE A 69 12.623 -1.122 6.493 1.00 0.00 C ATOM 1106 CD1 ILE A 69 15.118 -3.012 6.801 1.00 0.00 C ATOM 0 H ILE A 69 11.425 -4.126 8.765 1.00 0.00 H new ATOM 0 HA ILE A 69 10.472 -2.526 6.536 1.00 0.00 H new ATOM 0 HB ILE A 69 12.806 -2.966 5.450 1.00 0.00 H new ATOM 0 HG12 ILE A 69 13.673 -2.717 8.343 1.00 0.00 H new ATOM 0 HG13 ILE A 69 13.551 -4.265 7.530 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.602 -0.757 6.182 1.00 0.00 H new ATOM 0 HG22 ILE A 69 11.862 -0.747 5.808 1.00 0.00 H new ATOM 0 HG23 ILE A 69 12.408 -0.770 7.502 1.00 0.00 H new ATOM 0 HD11 ILE A 69 15.852 -3.431 7.489 1.00 0.00 H new ATOM 0 HD12 ILE A 69 15.191 -3.520 5.839 1.00 0.00 H new ATOM 0 HD13 ILE A 69 15.314 -1.948 6.665 1.00 0.00 H new ATOM 1118 N LYS A 70 10.656 -4.661 5.087 1.00 0.00 N ATOM 1119 CA LYS A 70 10.518 -5.925 4.385 1.00 0.00 C ATOM 1120 C LYS A 70 11.210 -5.833 3.039 1.00 0.00 C ATOM 1121 O LYS A 70 11.000 -4.876 2.293 1.00 0.00 O ATOM 1122 CB LYS A 70 9.043 -6.283 4.185 1.00 0.00 C ATOM 1123 CG LYS A 70 8.835 -7.585 3.424 1.00 0.00 C ATOM 1124 CD LYS A 70 7.363 -7.874 3.188 1.00 0.00 C ATOM 1125 CE LYS A 70 7.166 -9.177 2.427 1.00 0.00 C ATOM 1126 NZ LYS A 70 7.737 -9.131 1.049 1.00 0.00 N ATOM 0 H LYS A 70 10.397 -3.845 4.533 1.00 0.00 H new ATOM 0 HA LYS A 70 10.981 -6.708 4.986 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.560 -6.359 5.159 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.550 -5.473 3.647 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.353 -7.532 2.466 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.281 -8.407 3.983 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.844 -7.928 4.145 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.915 -7.053 2.628 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.632 -9.991 2.982 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.101 -9.401 2.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.590 -10.048 0.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.263 -8.384 0.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.756 -8.928 1.102 1.00 0.00 H new ATOM 1140 N THR A 71 12.034 -6.814 2.732 1.00 0.00 N ATOM 1141 CA THR A 71 12.763 -6.811 1.484 1.00 0.00 C ATOM 1142 C THR A 71 12.182 -7.820 0.498 1.00 0.00 C ATOM 1143 O THR A 71 11.487 -8.763 0.889 1.00 0.00 O ATOM 1144 CB THR A 71 14.258 -7.097 1.719 1.00 0.00 C ATOM 1145 OG1 THR A 71 14.424 -8.297 2.484 1.00 0.00 O ATOM 1146 CG2 THR A 71 14.915 -5.938 2.448 1.00 0.00 C ATOM 0 H THR A 71 12.214 -7.621 3.329 1.00 0.00 H new ATOM 0 HA THR A 71 12.663 -5.816 1.051 1.00 0.00 H new ATOM 0 HB THR A 71 14.735 -7.223 0.747 1.00 0.00 H new ATOM 0 HG1 THR A 71 15.369 -8.408 2.717 1.00 0.00 H new ATOM 0 HG21 THR A 71 15.971 -6.159 2.605 1.00 0.00 H new ATOM 0 HG22 THR A 71 14.819 -5.031 1.851 1.00 0.00 H new ATOM 0 HG23 THR A 71 14.428 -5.791 3.412 1.00 0.00 H new ATOM 1154 N CYS A 72 12.442 -7.587 -0.780 1.00 0.00 N ATOM 1155 CA CYS A 72 12.018 -8.481 -1.845 1.00 0.00 C ATOM 1156 C CYS A 72 12.788 -8.129 -3.114 1.00 0.00 C ATOM 1157 O CYS A 72 13.626 -7.224 -3.098 1.00 0.00 O ATOM 1158 CB CYS A 72 10.507 -8.358 -2.074 1.00 0.00 C ATOM 1159 SG CYS A 72 9.798 -9.586 -3.198 1.00 0.00 S ATOM 0 H CYS A 72 12.955 -6.769 -1.108 1.00 0.00 H new ATOM 0 HA CYS A 72 12.229 -9.514 -1.568 1.00 0.00 H new ATOM 0 HB2 CYS A 72 10.002 -8.435 -1.111 1.00 0.00 H new ATOM 0 HB3 CYS A 72 10.295 -7.364 -2.467 1.00 0.00 H new ATOM 0 HG CYS A 72 8.519 -9.383 -3.311 1.00 0.00 H new ATOM 1165 N ASP A 73 12.511 -8.827 -4.203 1.00 0.00 N ATOM 1166 CA ASP A 73 13.238 -8.614 -5.446 1.00 0.00 C ATOM 1167 C ASP A 73 12.423 -7.782 -6.431 1.00 0.00 C ATOM 1168 O ASP A 73 12.982 -7.155 -7.331 1.00 0.00 O ATOM 1169 CB ASP A 73 13.585 -9.964 -6.080 1.00 0.00 C ATOM 1170 CG ASP A 73 12.383 -10.627 -6.726 1.00 0.00 C ATOM 1171 OD1 ASP A 73 11.368 -10.844 -6.030 1.00 0.00 O ATOM 1172 OD2 ASP A 73 12.443 -10.916 -7.938 1.00 0.00 O ATOM 0 H ASP A 73 11.789 -9.546 -4.253 1.00 0.00 H new ATOM 0 HA ASP A 73 14.152 -8.068 -5.213 1.00 0.00 H new ATOM 0 HB2 ASP A 73 14.364 -9.821 -6.829 1.00 0.00 H new ATOM 0 HB3 ASP A 73 13.995 -10.626 -5.317 1.00 0.00 H new ATOM 1177 N HIS A 74 11.109 -7.757 -6.243 1.00 0.00 N ATOM 1178 CA HIS A 74 10.211 -7.147 -7.220 1.00 0.00 C ATOM 1179 C HIS A 74 10.063 -5.637 -7.044 1.00 0.00 C ATOM 1180 O HIS A 74 10.034 -4.912 -8.031 1.00 0.00 O ATOM 1181 CB HIS A 74 8.836 -7.814 -7.180 1.00 0.00 C ATOM 1182 CG HIS A 74 8.777 -9.115 -7.924 1.00 0.00 C ATOM 1183 ND1 HIS A 74 7.726 -9.997 -7.815 1.00 0.00 N ATOM 1184 CD2 HIS A 74 9.633 -9.667 -8.816 1.00 0.00 C ATOM 1185 CE1 HIS A 74 7.941 -11.034 -8.601 1.00 0.00 C ATOM 1186 NE2 HIS A 74 9.090 -10.861 -9.223 1.00 0.00 N ATOM 0 H HIS A 74 10.641 -8.150 -5.426 1.00 0.00 H new ATOM 0 HA HIS A 74 10.670 -7.309 -8.195 1.00 0.00 H new ATOM 0 HB2 HIS A 74 8.555 -7.986 -6.141 1.00 0.00 H new ATOM 0 HB3 HIS A 74 8.098 -7.131 -7.600 1.00 0.00 H new ATOM 0 HD2 HIS A 74 10.571 -9.246 -9.147 1.00 0.00 H new ATOM 0 HE1 HIS A 74 7.285 -11.884 -8.716 1.00 0.00 H new ATOM 0 HE2 HIS A 74 9.506 -11.506 -9.894 1.00 0.00 H new ATOM 1195 N TYR A 75 9.960 -5.153 -5.809 1.00 0.00 N ATOM 1196 CA TYR A 75 9.736 -3.720 -5.592 1.00 0.00 C ATOM 1197 C TYR A 75 11.014 -2.932 -5.871 1.00 0.00 C ATOM 1198 O TYR A 75 11.798 -2.692 -4.962 1.00 0.00 O ATOM 1199 CB TYR A 75 9.296 -3.400 -4.157 1.00 0.00 C ATOM 1200 CG TYR A 75 8.631 -4.516 -3.382 1.00 0.00 C ATOM 1201 CD1 TYR A 75 7.468 -5.131 -3.828 1.00 0.00 C ATOM 1202 CD2 TYR A 75 9.165 -4.926 -2.169 1.00 0.00 C ATOM 1203 CE1 TYR A 75 6.859 -6.125 -3.083 1.00 0.00 C ATOM 1204 CE2 TYR A 75 8.566 -5.919 -1.423 1.00 0.00 C ATOM 1205 CZ TYR A 75 7.415 -6.516 -1.881 1.00 0.00 C ATOM 1206 OH TYR A 75 6.820 -7.508 -1.131 1.00 0.00 O ATOM 0 H TYR A 75 10.026 -5.713 -4.959 1.00 0.00 H new ATOM 0 HA TYR A 75 8.939 -3.433 -6.278 1.00 0.00 H new ATOM 0 HB2 TYR A 75 10.173 -3.074 -3.598 1.00 0.00 H new ATOM 0 HB3 TYR A 75 8.608 -2.555 -4.193 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.033 -4.829 -4.769 1.00 0.00 H new ATOM 0 HD2 TYR A 75 10.067 -4.459 -1.802 1.00 0.00 H new ATOM 0 HE1 TYR A 75 5.953 -6.593 -3.440 1.00 0.00 H new ATOM 0 HE2 TYR A 75 8.999 -6.227 -0.483 1.00 0.00 H new ATOM 0 HH TYR A 75 6.240 -8.050 -1.706 1.00 0.00 H new ATOM 1216 N GLN A 76 11.247 -2.535 -7.112 1.00 0.00 N ATOM 1217 CA GLN A 76 12.504 -1.906 -7.449 1.00 0.00 C ATOM 1218 C GLN A 76 12.579 -0.453 -7.010 1.00 0.00 C ATOM 1219 O GLN A 76 13.663 0.016 -6.658 1.00 0.00 O ATOM 1220 CB GLN A 76 12.808 -2.005 -8.941 1.00 0.00 C ATOM 1221 CG GLN A 76 11.980 -1.090 -9.847 1.00 0.00 C ATOM 1222 CD GLN A 76 10.511 -1.473 -9.934 1.00 0.00 C ATOM 1223 OE1 GLN A 76 10.153 -2.640 -9.807 1.00 0.00 O ATOM 1224 NE2 GLN A 76 9.653 -0.491 -10.175 1.00 0.00 N ATOM 0 H GLN A 76 10.592 -2.637 -7.887 1.00 0.00 H new ATOM 0 HA GLN A 76 13.260 -2.461 -6.894 1.00 0.00 H new ATOM 0 HB2 GLN A 76 13.863 -1.780 -9.094 1.00 0.00 H new ATOM 0 HB3 GLN A 76 12.653 -3.036 -9.257 1.00 0.00 H new ATOM 0 HG2 GLN A 76 12.057 -0.066 -9.481 1.00 0.00 H new ATOM 0 HG3 GLN A 76 12.409 -1.103 -10.849 1.00 0.00 H new ATOM 0 HE21 GLN A 76 9.989 0.467 -10.274 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.657 -0.694 -10.261 1.00 0.00 H new ATOM 1233 N ASN A 77 11.456 0.257 -7.006 1.00 0.00 N ATOM 1234 CA ASN A 77 11.501 1.697 -6.784 1.00 0.00 C ATOM 1235 C ASN A 77 11.653 2.035 -5.307 1.00 0.00 C ATOM 1236 O ASN A 77 10.712 2.448 -4.631 1.00 0.00 O ATOM 1237 CB ASN A 77 10.291 2.409 -7.381 1.00 0.00 C ATOM 1238 CG ASN A 77 10.520 3.905 -7.496 1.00 0.00 C ATOM 1239 OD1 ASN A 77 11.775 4.311 -7.656 1.00 0.00 O flip ATOM 1240 ND2 ASN A 77 9.584 4.695 -7.440 1.00 0.00 N flip ATOM 0 H ASN A 77 10.523 -0.130 -7.150 1.00 0.00 H new ATOM 0 HA ASN A 77 12.386 2.063 -7.305 1.00 0.00 H new ATOM 0 HB2 ASN A 77 10.076 1.997 -8.367 1.00 0.00 H new ATOM 0 HB3 ASN A 77 9.415 2.222 -6.760 1.00 0.00 H new ATOM 0 HD21 ASN A 77 8.632 4.350 -7.317 1.00 0.00 H new ATOM 0 HD22 ASN A 77 9.757 5.697 -7.517 1.00 0.00 H new ATOM 1247 N PHE A 78 12.859 1.820 -4.829 1.00 0.00 N ATOM 1248 CA PHE A 78 13.265 2.158 -3.483 1.00 0.00 C ATOM 1249 C PHE A 78 14.719 2.590 -3.552 1.00 0.00 C ATOM 1250 O PHE A 78 15.302 2.572 -4.637 1.00 0.00 O ATOM 1251 CB PHE A 78 13.121 0.948 -2.548 1.00 0.00 C ATOM 1252 CG PHE A 78 11.707 0.624 -2.171 1.00 0.00 C ATOM 1253 CD1 PHE A 78 10.969 1.501 -1.397 1.00 0.00 C ATOM 1254 CD2 PHE A 78 11.121 -0.560 -2.576 1.00 0.00 C ATOM 1255 CE1 PHE A 78 9.671 1.203 -1.036 1.00 0.00 C ATOM 1256 CE2 PHE A 78 9.823 -0.862 -2.218 1.00 0.00 C ATOM 1257 CZ PHE A 78 9.096 0.020 -1.448 1.00 0.00 C ATOM 0 H PHE A 78 13.604 1.394 -5.381 1.00 0.00 H new ATOM 0 HA PHE A 78 12.635 2.954 -3.086 1.00 0.00 H new ATOM 0 HB2 PHE A 78 13.565 0.077 -3.030 1.00 0.00 H new ATOM 0 HB3 PHE A 78 13.693 1.136 -1.639 1.00 0.00 H new ATOM 0 HD1 PHE A 78 11.414 2.430 -1.071 1.00 0.00 H new ATOM 0 HD2 PHE A 78 11.685 -1.256 -3.179 1.00 0.00 H new ATOM 0 HE1 PHE A 78 9.106 1.896 -0.431 1.00 0.00 H new ATOM 0 HE2 PHE A 78 9.376 -1.791 -2.542 1.00 0.00 H new ATOM 0 HZ PHE A 78 8.080 -0.215 -1.168 1.00 0.00 H new ATOM 1267 N PRO A 79 15.335 3.002 -2.435 1.00 0.00 N ATOM 1268 CA PRO A 79 16.781 3.225 -2.399 1.00 0.00 C ATOM 1269 C PRO A 79 17.546 1.960 -2.781 1.00 0.00 C ATOM 1270 O PRO A 79 18.662 2.035 -3.299 1.00 0.00 O ATOM 1271 CB PRO A 79 17.055 3.596 -0.940 1.00 0.00 C ATOM 1272 CG PRO A 79 15.757 4.117 -0.431 1.00 0.00 C ATOM 1273 CD PRO A 79 14.694 3.334 -1.149 1.00 0.00 C ATOM 0 HA PRO A 79 17.101 3.992 -3.104 1.00 0.00 H new ATOM 0 HB2 PRO A 79 17.386 2.730 -0.367 1.00 0.00 H new ATOM 0 HB3 PRO A 79 17.841 4.348 -0.864 1.00 0.00 H new ATOM 0 HG2 PRO A 79 15.678 3.985 0.648 1.00 0.00 H new ATOM 0 HG3 PRO A 79 15.659 5.184 -0.630 1.00 0.00 H new ATOM 0 HD2 PRO A 79 14.411 2.438 -0.597 1.00 0.00 H new ATOM 0 HD3 PRO A 79 13.787 3.921 -1.290 1.00 0.00 H new ATOM 1281 N LEU A 80 16.903 0.806 -2.542 1.00 0.00 N ATOM 1282 CA LEU A 80 17.490 -0.513 -2.790 1.00 0.00 C ATOM 1283 C LEU A 80 18.710 -0.700 -1.879 1.00 0.00 C ATOM 1284 O LEU A 80 19.745 -0.069 -2.067 1.00 0.00 O ATOM 1285 CB LEU A 80 17.850 -0.690 -4.285 1.00 0.00 C ATOM 1286 CG LEU A 80 17.787 -2.122 -4.835 1.00 0.00 C ATOM 1287 CD1 LEU A 80 18.496 -2.207 -6.177 1.00 0.00 C ATOM 1288 CD2 LEU A 80 18.378 -3.120 -3.864 1.00 0.00 C ATOM 0 H LEU A 80 15.955 0.766 -2.169 1.00 0.00 H new ATOM 0 HA LEU A 80 16.759 -1.287 -2.554 1.00 0.00 H new ATOM 0 HB2 LEU A 80 17.178 -0.067 -4.875 1.00 0.00 H new ATOM 0 HB3 LEU A 80 18.859 -0.307 -4.442 1.00 0.00 H new ATOM 0 HG LEU A 80 16.736 -2.376 -4.972 1.00 0.00 H new ATOM 0 HD11 LEU A 80 18.442 -3.229 -6.553 1.00 0.00 H new ATOM 0 HD12 LEU A 80 18.015 -1.534 -6.886 1.00 0.00 H new ATOM 0 HD13 LEU A 80 19.540 -1.920 -6.056 1.00 0.00 H new ATOM 0 HD21 LEU A 80 18.315 -4.122 -4.289 1.00 0.00 H new ATOM 0 HD22 LEU A 80 19.422 -2.870 -3.676 1.00 0.00 H new ATOM 0 HD23 LEU A 80 17.823 -3.088 -2.926 1.00 0.00 H new ATOM 1300 N TYR A 81 18.555 -1.584 -0.896 1.00 0.00 N ATOM 1301 CA TYR A 81 19.528 -1.759 0.182 1.00 0.00 C ATOM 1302 C TYR A 81 20.939 -1.973 -0.362 1.00 0.00 C ATOM 1303 O TYR A 81 21.215 -2.966 -1.039 1.00 0.00 O ATOM 1304 CB TYR A 81 19.112 -2.955 1.046 1.00 0.00 C ATOM 1305 CG TYR A 81 19.657 -2.939 2.454 1.00 0.00 C ATOM 1306 CD1 TYR A 81 20.903 -3.475 2.752 1.00 0.00 C ATOM 1307 CD2 TYR A 81 18.908 -2.398 3.492 1.00 0.00 C ATOM 1308 CE1 TYR A 81 21.386 -3.476 4.048 1.00 0.00 C ATOM 1309 CE2 TYR A 81 19.384 -2.391 4.785 1.00 0.00 C ATOM 1310 CZ TYR A 81 20.620 -2.930 5.060 1.00 0.00 C ATOM 1311 OH TYR A 81 21.089 -2.927 6.355 1.00 0.00 O ATOM 0 H TYR A 81 17.747 -2.203 -0.824 1.00 0.00 H new ATOM 0 HA TYR A 81 19.542 -0.850 0.783 1.00 0.00 H new ATOM 0 HB2 TYR A 81 18.024 -2.990 1.093 1.00 0.00 H new ATOM 0 HB3 TYR A 81 19.440 -3.871 0.555 1.00 0.00 H new ATOM 0 HD1 TYR A 81 21.504 -3.897 1.960 1.00 0.00 H new ATOM 0 HD2 TYR A 81 17.936 -1.976 3.282 1.00 0.00 H new ATOM 0 HE1 TYR A 81 22.355 -3.900 4.267 1.00 0.00 H new ATOM 0 HE2 TYR A 81 18.790 -1.964 5.579 1.00 0.00 H new ATOM 0 HH TYR A 81 20.427 -2.505 6.942 1.00 0.00 H new ATOM 1401 N GLU A 88 19.038 -5.774 -1.728 1.00 0.00 N ATOM 1402 CA GLU A 88 17.658 -6.208 -1.617 1.00 0.00 C ATOM 1403 C GLU A 88 16.733 -5.009 -1.509 1.00 0.00 C ATOM 1404 O GLU A 88 17.075 -3.992 -0.910 1.00 0.00 O ATOM 1405 CB GLU A 88 17.493 -7.160 -0.427 1.00 0.00 C ATOM 1406 CG GLU A 88 18.087 -6.636 0.873 1.00 0.00 C ATOM 1407 CD GLU A 88 18.230 -7.721 1.923 1.00 0.00 C ATOM 1408 OE1 GLU A 88 19.272 -8.409 1.929 1.00 0.00 O ATOM 1409 OE2 GLU A 88 17.307 -7.892 2.746 1.00 0.00 O ATOM 0 HA GLU A 88 17.384 -6.755 -2.519 1.00 0.00 H new ATOM 0 HB2 GLU A 88 16.431 -7.356 -0.276 1.00 0.00 H new ATOM 0 HB3 GLU A 88 17.962 -8.114 -0.670 1.00 0.00 H new ATOM 0 HG2 GLU A 88 19.065 -6.198 0.672 1.00 0.00 H new ATOM 0 HG3 GLU A 88 17.454 -5.838 1.263 1.00 0.00 H new ATOM 1416 N HIS A 89 15.570 -5.118 -2.116 1.00 0.00 N ATOM 1417 CA HIS A 89 14.652 -3.996 -2.191 1.00 0.00 C ATOM 1418 C HIS A 89 13.819 -3.924 -0.921 1.00 0.00 C ATOM 1419 O HIS A 89 12.932 -4.750 -0.716 1.00 0.00 O ATOM 1420 CB HIS A 89 13.740 -4.145 -3.405 1.00 0.00 C ATOM 1421 CG HIS A 89 14.472 -4.286 -4.709 1.00 0.00 C ATOM 1422 ND1 HIS A 89 14.641 -3.245 -5.595 1.00 0.00 N ATOM 1423 CD2 HIS A 89 15.070 -5.361 -5.280 1.00 0.00 C ATOM 1424 CE1 HIS A 89 15.307 -3.672 -6.652 1.00 0.00 C ATOM 1425 NE2 HIS A 89 15.579 -4.949 -6.484 1.00 0.00 N ATOM 0 H HIS A 89 15.236 -5.971 -2.565 1.00 0.00 H new ATOM 0 HA HIS A 89 15.226 -3.075 -2.293 1.00 0.00 H new ATOM 0 HB2 HIS A 89 13.103 -5.018 -3.262 1.00 0.00 H new ATOM 0 HB3 HIS A 89 13.083 -3.277 -3.461 1.00 0.00 H new ATOM 0 HD2 HIS A 89 15.133 -6.356 -4.864 1.00 0.00 H new ATOM 0 HE1 HIS A 89 15.582 -3.075 -7.509 1.00 0.00 H new ATOM 0 HE2 HIS A 89 16.087 -5.538 -7.144 1.00 0.00 H new ATOM 1434 N TYR A 90 14.112 -2.952 -0.066 1.00 0.00 N ATOM 1435 CA TYR A 90 13.449 -2.866 1.227 1.00 0.00 C ATOM 1436 C TYR A 90 12.366 -1.794 1.233 1.00 0.00 C ATOM 1437 O TYR A 90 12.551 -0.693 0.711 1.00 0.00 O ATOM 1438 CB TYR A 90 14.467 -2.598 2.348 1.00 0.00 C ATOM 1439 CG TYR A 90 14.975 -1.175 2.419 1.00 0.00 C ATOM 1440 CD1 TYR A 90 15.957 -0.716 1.551 1.00 0.00 C ATOM 1441 CD2 TYR A 90 14.465 -0.287 3.360 1.00 0.00 C ATOM 1442 CE1 TYR A 90 16.416 0.585 1.618 1.00 0.00 C ATOM 1443 CE2 TYR A 90 14.917 1.013 3.433 1.00 0.00 C ATOM 1444 CZ TYR A 90 15.892 1.446 2.559 1.00 0.00 C ATOM 1445 OH TYR A 90 16.341 2.745 2.625 1.00 0.00 O ATOM 0 H TYR A 90 14.798 -2.219 -0.243 1.00 0.00 H new ATOM 0 HA TYR A 90 12.971 -3.828 1.410 1.00 0.00 H new ATOM 0 HB2 TYR A 90 14.009 -2.853 3.304 1.00 0.00 H new ATOM 0 HB3 TYR A 90 15.318 -3.266 2.214 1.00 0.00 H new ATOM 0 HD1 TYR A 90 16.368 -1.387 0.812 1.00 0.00 H new ATOM 0 HD2 TYR A 90 13.701 -0.622 4.046 1.00 0.00 H new ATOM 0 HE1 TYR A 90 17.181 0.926 0.937 1.00 0.00 H new ATOM 0 HE2 TYR A 90 14.510 1.689 4.171 1.00 0.00 H new ATOM 0 HH TYR A 90 15.869 3.218 3.342 1.00 0.00 H new ATOM 1455 N GLY A 91 11.235 -2.140 1.818 1.00 0.00 N ATOM 1456 CA GLY A 91 10.169 -1.189 2.029 1.00 0.00 C ATOM 1457 C GLY A 91 9.570 -1.371 3.404 1.00 0.00 C ATOM 1458 O GLY A 91 10.010 -2.239 4.153 1.00 0.00 O ATOM 0 H GLY A 91 11.034 -3.081 2.157 1.00 0.00 H new ATOM 0 HA2 GLY A 91 10.552 -0.174 1.923 1.00 0.00 H new ATOM 0 HA3 GLY A 91 9.399 -1.321 1.269 1.00 0.00 H new ATOM 1462 N ILE A 92 8.577 -0.570 3.749 1.00 0.00 N ATOM 1463 CA ILE A 92 7.966 -0.664 5.064 1.00 0.00 C ATOM 1464 C ILE A 92 6.563 -1.262 4.969 1.00 0.00 C ATOM 1465 O ILE A 92 5.656 -0.662 4.381 1.00 0.00 O ATOM 1466 CB ILE A 92 7.913 0.712 5.757 1.00 0.00 C ATOM 1467 CG1 ILE A 92 9.313 1.332 5.788 1.00 0.00 C ATOM 1468 CG2 ILE A 92 7.358 0.577 7.170 1.00 0.00 C ATOM 1469 CD1 ILE A 92 9.358 2.721 6.381 1.00 0.00 C ATOM 0 H ILE A 92 8.179 0.147 3.143 1.00 0.00 H new ATOM 0 HA ILE A 92 8.587 -1.325 5.668 1.00 0.00 H new ATOM 0 HB ILE A 92 7.249 1.366 5.192 1.00 0.00 H new ATOM 0 HG12 ILE A 92 9.974 0.682 6.361 1.00 0.00 H new ATOM 0 HG13 ILE A 92 9.705 1.369 4.772 1.00 0.00 H new ATOM 0 HG21 ILE A 92 7.328 1.558 7.644 1.00 0.00 H new ATOM 0 HG22 ILE A 92 6.350 0.163 7.127 1.00 0.00 H new ATOM 0 HG23 ILE A 92 7.998 -0.087 7.751 1.00 0.00 H new ATOM 0 HD11 ILE A 92 10.384 3.090 6.367 1.00 0.00 H new ATOM 0 HD12 ILE A 92 8.725 3.387 5.795 1.00 0.00 H new ATOM 0 HD13 ILE A 92 8.998 2.689 7.409 1.00 0.00 H new ATOM 1481 N PRO A 93 6.374 -2.461 5.542 1.00 0.00 N ATOM 1482 CA PRO A 93 5.098 -3.181 5.494 1.00 0.00 C ATOM 1483 C PRO A 93 4.054 -2.595 6.443 1.00 0.00 C ATOM 1484 O PRO A 93 4.366 -2.184 7.562 1.00 0.00 O ATOM 1485 CB PRO A 93 5.482 -4.597 5.918 1.00 0.00 C ATOM 1486 CG PRO A 93 6.663 -4.418 6.805 1.00 0.00 C ATOM 1487 CD PRO A 93 7.403 -3.215 6.287 1.00 0.00 C ATOM 0 HA PRO A 93 4.634 -3.126 4.509 1.00 0.00 H new ATOM 0 HB2 PRO A 93 4.663 -5.089 6.443 1.00 0.00 H new ATOM 0 HB3 PRO A 93 5.725 -5.217 5.055 1.00 0.00 H new ATOM 0 HG2 PRO A 93 6.353 -4.268 7.839 1.00 0.00 H new ATOM 0 HG3 PRO A 93 7.299 -5.303 6.788 1.00 0.00 H new ATOM 0 HD2 PRO A 93 7.822 -2.623 7.100 1.00 0.00 H new ATOM 0 HD3 PRO A 93 8.233 -3.503 5.642 1.00 0.00 H new ATOM 1495 N HIS A 94 2.818 -2.551 5.978 1.00 0.00 N ATOM 1496 CA HIS A 94 1.716 -1.991 6.748 1.00 0.00 C ATOM 1497 C HIS A 94 0.526 -2.934 6.744 1.00 0.00 C ATOM 1498 O HIS A 94 0.564 -3.997 6.123 1.00 0.00 O ATOM 1499 CB HIS A 94 1.282 -0.642 6.166 1.00 0.00 C ATOM 1500 CG HIS A 94 2.269 0.461 6.372 1.00 0.00 C ATOM 1501 ND1 HIS A 94 3.496 0.504 5.746 1.00 0.00 N ATOM 1502 CD2 HIS A 94 2.208 1.564 7.147 1.00 0.00 C ATOM 1503 CE1 HIS A 94 4.145 1.583 6.133 1.00 0.00 C ATOM 1504 NE2 HIS A 94 3.385 2.246 6.983 1.00 0.00 N ATOM 0 H HIS A 94 2.548 -2.901 5.059 1.00 0.00 H new ATOM 0 HA HIS A 94 2.064 -1.851 7.771 1.00 0.00 H new ATOM 0 HB2 HIS A 94 1.105 -0.761 5.097 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.332 -0.353 6.617 1.00 0.00 H new ATOM 0 HD1 HIS A 94 3.847 -0.191 5.087 1.00 0.00 H new ATOM 0 HD2 HIS A 94 1.383 1.856 7.780 1.00 0.00 H new ATOM 0 HE1 HIS A 94 5.133 1.875 5.809 1.00 0.00 H new ATOM 1513 N GLY A 95 -0.544 -2.500 7.387 1.00 0.00 N ATOM 1514 CA GLY A 95 -1.754 -3.282 7.455 1.00 0.00 C ATOM 1515 C GLY A 95 -2.848 -2.510 8.151 1.00 0.00 C ATOM 1516 O GLY A 95 -2.573 -1.569 8.899 1.00 0.00 O ATOM 0 H GLY A 95 -0.594 -1.603 7.871 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -2.076 -3.552 6.449 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -1.562 -4.213 7.989 1.00 0.00 H new ATOM 1520 N PHE A 96 -4.085 -2.894 7.903 1.00 0.00 N ATOM 1521 CA PHE A 96 -5.226 -2.104 8.335 1.00 0.00 C ATOM 1522 C PHE A 96 -6.324 -3.007 8.863 1.00 0.00 C ATOM 1523 O PHE A 96 -6.079 -4.150 9.223 1.00 0.00 O ATOM 1524 CB PHE A 96 -5.769 -1.277 7.159 1.00 0.00 C ATOM 1525 CG PHE A 96 -4.744 -0.393 6.511 1.00 0.00 C ATOM 1526 CD1 PHE A 96 -3.950 -0.872 5.480 1.00 0.00 C ATOM 1527 CD2 PHE A 96 -4.574 0.914 6.931 1.00 0.00 C ATOM 1528 CE1 PHE A 96 -3.003 -0.064 4.885 1.00 0.00 C ATOM 1529 CE2 PHE A 96 -3.629 1.726 6.339 1.00 0.00 C ATOM 1530 CZ PHE A 96 -2.843 1.238 5.314 1.00 0.00 C ATOM 0 H PHE A 96 -4.328 -3.750 7.404 1.00 0.00 H new ATOM 0 HA PHE A 96 -4.900 -1.434 9.131 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -6.176 -1.955 6.409 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -6.595 -0.660 7.513 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -4.074 -1.889 5.139 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -5.187 1.303 7.730 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -2.388 -0.450 4.085 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -3.504 2.744 6.677 1.00 0.00 H new ATOM 0 HZ PHE A 96 -2.104 1.874 4.849 1.00 0.00 H new ATOM 1540 N SER A 97 -7.526 -2.466 8.901 1.00 0.00 N ATOM 1541 CA SER A 97 -8.717 -3.212 9.267 1.00 0.00 C ATOM 1542 C SER A 97 -9.927 -2.540 8.615 1.00 0.00 C ATOM 1543 O SER A 97 -10.848 -3.203 8.141 1.00 0.00 O ATOM 1544 CB SER A 97 -8.890 -3.233 10.792 1.00 0.00 C ATOM 1545 OG SER A 97 -9.939 -4.109 11.190 1.00 0.00 O ATOM 0 H SER A 97 -7.706 -1.487 8.677 1.00 0.00 H new ATOM 0 HA SER A 97 -8.626 -4.242 8.921 1.00 0.00 H new ATOM 0 HB2 SER A 97 -7.957 -3.546 11.260 1.00 0.00 H new ATOM 0 HB3 SER A 97 -9.103 -2.225 11.148 1.00 0.00 H new ATOM 0 HG SER A 97 -10.021 -4.099 12.167 1.00 0.00 H new ATOM 1551 N SER A 98 -9.903 -1.207 8.590 1.00 0.00 N ATOM 1552 CA SER A 98 -10.958 -0.426 7.968 1.00 0.00 C ATOM 1553 C SER A 98 -10.503 0.118 6.609 1.00 0.00 C ATOM 1554 O SER A 98 -9.431 0.718 6.491 1.00 0.00 O ATOM 1555 CB SER A 98 -11.352 0.729 8.891 1.00 0.00 C ATOM 1556 OG SER A 98 -11.633 0.259 10.199 1.00 0.00 O ATOM 0 H SER A 98 -9.155 -0.647 8.999 1.00 0.00 H new ATOM 0 HA SER A 98 -11.821 -1.071 7.805 1.00 0.00 H new ATOM 0 HB2 SER A 98 -10.545 1.461 8.929 1.00 0.00 H new ATOM 0 HB3 SER A 98 -12.227 1.240 8.488 1.00 0.00 H new ATOM 0 HG SER A 98 -11.881 1.015 10.772 1.00 0.00 H new ATOM 1562 N ARG A 99 -11.316 -0.115 5.589 1.00 0.00 N ATOM 1563 CA ARG A 99 -11.025 0.346 4.233 1.00 0.00 C ATOM 1564 C ARG A 99 -10.914 1.867 4.154 1.00 0.00 C ATOM 1565 O ARG A 99 -10.002 2.389 3.516 1.00 0.00 O ATOM 1566 CB ARG A 99 -12.104 -0.151 3.277 1.00 0.00 C ATOM 1567 CG ARG A 99 -12.010 -1.638 2.988 1.00 0.00 C ATOM 1568 CD ARG A 99 -13.375 -2.227 2.700 1.00 0.00 C ATOM 1569 NE ARG A 99 -14.188 -2.317 3.910 1.00 0.00 N ATOM 1570 CZ ARG A 99 -15.490 -2.050 3.960 1.00 0.00 C ATOM 1571 NH1 ARG A 99 -16.116 -1.558 2.896 1.00 0.00 N ATOM 1572 NH2 ARG A 99 -16.159 -2.238 5.090 1.00 0.00 N ATOM 0 H ARG A 99 -12.194 -0.627 5.674 1.00 0.00 H new ATOM 0 HA ARG A 99 -10.058 -0.065 3.944 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -13.084 0.069 3.700 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -12.031 0.400 2.339 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -11.352 -1.805 2.135 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -11.563 -2.149 3.840 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -13.889 -1.612 1.961 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -13.259 -3.219 2.264 1.00 0.00 H new ATOM 0 HE ARG A 99 -13.727 -2.603 4.774 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -15.598 -1.383 2.035 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -17.115 -1.355 2.940 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -15.675 -2.586 5.917 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -17.158 -2.034 5.131 1.00 0.00 H new ATOM 1586 N ILE A 100 -11.846 2.575 4.793 1.00 0.00 N ATOM 1587 CA ILE A 100 -11.828 4.039 4.785 1.00 0.00 C ATOM 1588 C ILE A 100 -10.537 4.569 5.409 1.00 0.00 C ATOM 1589 O ILE A 100 -10.039 5.627 5.020 1.00 0.00 O ATOM 1590 CB ILE A 100 -13.050 4.642 5.521 1.00 0.00 C ATOM 1591 CG1 ILE A 100 -13.037 6.175 5.445 1.00 0.00 C ATOM 1592 CG2 ILE A 100 -13.056 4.199 6.970 1.00 0.00 C ATOM 1593 CD1 ILE A 100 -13.003 6.723 4.034 1.00 0.00 C ATOM 0 H ILE A 100 -12.617 2.163 5.319 1.00 0.00 H new ATOM 0 HA ILE A 100 -11.879 4.349 3.741 1.00 0.00 H new ATOM 0 HB ILE A 100 -13.954 4.281 5.030 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -13.921 6.561 5.952 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -12.169 6.548 5.989 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -13.919 4.629 7.478 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -13.111 3.111 7.018 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -12.142 4.538 7.458 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -12.996 7.812 4.067 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -12.105 6.369 3.528 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -13.884 6.382 3.490 1.00 0.00 H new ATOM 1605 N ALA A 101 -9.994 3.828 6.375 1.00 0.00 N ATOM 1606 CA ALA A 101 -8.715 4.189 6.963 1.00 0.00 C ATOM 1607 C ALA A 101 -7.659 4.196 5.882 1.00 0.00 C ATOM 1608 O ALA A 101 -7.006 5.203 5.670 1.00 0.00 O ATOM 1609 CB ALA A 101 -8.316 3.233 8.075 1.00 0.00 C ATOM 0 H ALA A 101 -10.418 2.984 6.760 1.00 0.00 H new ATOM 0 HA ALA A 101 -8.807 5.181 7.404 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.354 3.537 8.489 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.072 3.253 8.860 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -8.235 2.222 7.675 1.00 0.00 H new ATOM 1615 N LEU A 102 -7.536 3.071 5.178 1.00 0.00 N ATOM 1616 CA LEU A 102 -6.607 2.952 4.055 1.00 0.00 C ATOM 1617 C LEU A 102 -6.826 4.075 3.043 1.00 0.00 C ATOM 1618 O LEU A 102 -5.871 4.700 2.584 1.00 0.00 O ATOM 1619 CB LEU A 102 -6.785 1.585 3.380 1.00 0.00 C ATOM 1620 CG LEU A 102 -6.065 1.401 2.038 1.00 0.00 C ATOM 1621 CD1 LEU A 102 -4.566 1.581 2.191 1.00 0.00 C ATOM 1622 CD2 LEU A 102 -6.375 0.031 1.455 1.00 0.00 C ATOM 0 H LEU A 102 -8.072 2.224 5.368 1.00 0.00 H new ATOM 0 HA LEU A 102 -5.589 3.036 4.435 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -6.435 0.814 4.067 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -7.850 1.414 3.225 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.429 2.167 1.353 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -4.083 1.445 1.224 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -4.356 2.584 2.564 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -4.181 0.844 2.896 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -5.857 -0.085 0.503 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.041 -0.743 2.146 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.449 -0.063 1.297 1.00 0.00 H new ATOM 1634 N GLU A 103 -8.092 4.327 2.724 1.00 0.00 N ATOM 1635 CA GLU A 103 -8.473 5.363 1.767 1.00 0.00 C ATOM 1636 C GLU A 103 -7.859 6.707 2.158 1.00 0.00 C ATOM 1637 O GLU A 103 -6.964 7.225 1.486 1.00 0.00 O ATOM 1638 CB GLU A 103 -10.004 5.483 1.728 1.00 0.00 C ATOM 1639 CG GLU A 103 -10.559 6.125 0.459 1.00 0.00 C ATOM 1640 CD GLU A 103 -10.270 7.614 0.367 1.00 0.00 C ATOM 1641 OE1 GLU A 103 -10.874 8.384 1.143 1.00 0.00 O ATOM 1642 OE2 GLU A 103 -9.430 8.016 -0.468 1.00 0.00 O ATOM 0 H GLU A 103 -8.883 3.820 3.121 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.101 5.086 0.781 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -10.436 4.488 1.835 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -10.332 6.067 2.588 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -10.133 5.624 -0.410 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -11.637 5.967 0.421 1.00 0.00 H new ATOM 1649 N ARG A 104 -8.325 7.251 3.271 1.00 0.00 N ATOM 1650 CA ARG A 104 -7.923 8.582 3.695 1.00 0.00 C ATOM 1651 C ARG A 104 -6.464 8.601 4.155 1.00 0.00 C ATOM 1652 O ARG A 104 -5.812 9.643 4.135 1.00 0.00 O ATOM 1653 CB ARG A 104 -8.859 9.080 4.792 1.00 0.00 C ATOM 1654 CG ARG A 104 -8.714 8.362 6.118 1.00 0.00 C ATOM 1655 CD ARG A 104 -10.018 8.366 6.899 1.00 0.00 C ATOM 1656 NE ARG A 104 -10.608 9.702 7.030 1.00 0.00 N ATOM 1657 CZ ARG A 104 -11.148 10.162 8.158 1.00 0.00 C ATOM 1658 NH1 ARG A 104 -11.060 9.455 9.278 1.00 0.00 N ATOM 1659 NH2 ARG A 104 -11.765 11.334 8.175 1.00 0.00 N ATOM 0 H ARG A 104 -8.984 6.790 3.898 1.00 0.00 H new ATOM 0 HA ARG A 104 -7.997 9.257 2.843 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -8.681 10.144 4.948 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -9.888 8.976 4.448 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -8.396 7.334 5.944 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -7.933 8.841 6.709 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -10.732 7.707 6.405 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -9.840 7.955 7.893 1.00 0.00 H new ATOM 0 HE ARG A 104 -10.605 10.313 6.213 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -10.578 8.556 9.277 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -11.475 9.811 10.139 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -11.829 11.889 7.322 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -12.177 11.681 9.041 1.00 0.00 H new ATOM 1673 N TYR A 105 -5.968 7.438 4.560 1.00 0.00 N ATOM 1674 CA TYR A 105 -4.556 7.271 4.906 1.00 0.00 C ATOM 1675 C TYR A 105 -3.673 7.628 3.722 1.00 0.00 C ATOM 1676 O TYR A 105 -2.676 8.325 3.876 1.00 0.00 O ATOM 1677 CB TYR A 105 -4.282 5.829 5.356 1.00 0.00 C ATOM 1678 CG TYR A 105 -2.822 5.439 5.381 1.00 0.00 C ATOM 1679 CD1 TYR A 105 -1.950 5.980 6.315 1.00 0.00 C ATOM 1680 CD2 TYR A 105 -2.320 4.528 4.463 1.00 0.00 C ATOM 1681 CE1 TYR A 105 -0.615 5.621 6.332 1.00 0.00 C ATOM 1682 CE2 TYR A 105 -0.988 4.163 4.474 1.00 0.00 C ATOM 1683 CZ TYR A 105 -0.140 4.711 5.409 1.00 0.00 C ATOM 1684 OH TYR A 105 1.189 4.353 5.420 1.00 0.00 O ATOM 0 H TYR A 105 -6.525 6.589 4.658 1.00 0.00 H new ATOM 0 HA TYR A 105 -4.322 7.944 5.730 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -4.698 5.690 6.354 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -4.814 5.149 4.691 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -2.319 6.691 7.039 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -2.982 4.097 3.727 1.00 0.00 H new ATOM 0 HE1 TYR A 105 0.053 6.050 7.064 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -0.614 3.451 3.753 1.00 0.00 H new ATOM 0 HH TYR A 105 1.582 4.581 6.288 1.00 0.00 H new ATOM 1694 N LEU A 106 -4.055 7.156 2.541 1.00 0.00 N ATOM 1695 CA LEU A 106 -3.319 7.452 1.316 1.00 0.00 C ATOM 1696 C LEU A 106 -3.211 8.955 1.106 1.00 0.00 C ATOM 1697 O LEU A 106 -2.153 9.479 0.758 1.00 0.00 O ATOM 1698 CB LEU A 106 -4.024 6.814 0.120 1.00 0.00 C ATOM 1699 CG LEU A 106 -4.089 5.290 0.154 1.00 0.00 C ATOM 1700 CD1 LEU A 106 -5.014 4.774 -0.937 1.00 0.00 C ATOM 1701 CD2 LEU A 106 -2.693 4.707 0.003 1.00 0.00 C ATOM 0 H LEU A 106 -4.874 6.564 2.405 1.00 0.00 H new ATOM 0 HA LEU A 106 -2.314 7.039 1.407 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -5.040 7.206 0.063 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -3.512 7.122 -0.792 1.00 0.00 H new ATOM 0 HG LEU A 106 -4.493 4.974 1.116 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -5.049 3.685 -0.899 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.016 5.175 -0.784 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -4.641 5.091 -1.911 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -2.748 3.619 0.028 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -2.266 5.027 -0.948 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -2.062 5.057 0.820 1.00 0.00 H new ATOM 1713 N ASN A 107 -4.316 9.641 1.340 1.00 0.00 N ATOM 1714 CA ASN A 107 -4.384 11.077 1.171 1.00 0.00 C ATOM 1715 C ASN A 107 -3.577 11.791 2.247 1.00 0.00 C ATOM 1716 O ASN A 107 -2.794 12.687 1.945 1.00 0.00 O ATOM 1717 CB ASN A 107 -5.846 11.533 1.203 1.00 0.00 C ATOM 1718 CG ASN A 107 -6.647 11.016 0.018 1.00 0.00 C ATOM 1719 OD1 ASN A 107 -7.371 9.920 0.212 1.00 0.00 O flip ATOM 1720 ND2 ASN A 107 -6.621 11.606 -1.061 1.00 0.00 N flip ATOM 0 H ASN A 107 -5.189 9.216 1.652 1.00 0.00 H new ATOM 0 HA ASN A 107 -3.952 11.335 0.204 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -6.310 11.189 2.128 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -5.883 12.622 1.214 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -6.052 12.445 -1.170 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -7.169 11.256 -1.847 1.00 0.00 H new ATOM 1727 N GLY A 108 -3.758 11.374 3.495 1.00 0.00 N ATOM 1728 CA GLY A 108 -3.079 12.015 4.608 1.00 0.00 C ATOM 1729 C GLY A 108 -1.591 11.716 4.659 1.00 0.00 C ATOM 1730 O GLY A 108 -0.812 12.499 5.206 1.00 0.00 O ATOM 0 H GLY A 108 -4.367 10.599 3.758 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -3.223 13.093 4.540 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -3.540 11.690 5.541 1.00 0.00 H new ATOM 1734 N LEU A 109 -1.194 10.576 4.113 1.00 0.00 N ATOM 1735 CA LEU A 109 0.210 10.196 4.084 1.00 0.00 C ATOM 1736 C LEU A 109 0.955 10.975 3.015 1.00 0.00 C ATOM 1737 O LEU A 109 1.880 11.732 3.319 1.00 0.00 O ATOM 1738 CB LEU A 109 0.363 8.697 3.819 1.00 0.00 C ATOM 1739 CG LEU A 109 1.807 8.199 3.721 1.00 0.00 C ATOM 1740 CD1 LEU A 109 2.509 8.305 5.068 1.00 0.00 C ATOM 1741 CD2 LEU A 109 1.842 6.771 3.206 1.00 0.00 C ATOM 0 H LEU A 109 -1.824 9.898 3.684 1.00 0.00 H new ATOM 0 HA LEU A 109 0.636 10.430 5.060 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -0.140 8.150 4.616 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.153 8.454 2.890 1.00 0.00 H new ATOM 0 HG LEU A 109 2.341 8.833 3.013 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.534 7.945 4.974 1.00 0.00 H new ATOM 0 HD12 LEU A 109 2.518 9.345 5.393 1.00 0.00 H new ATOM 0 HD13 LEU A 109 1.979 7.700 5.803 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.876 6.432 3.142 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.290 6.125 3.888 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.385 6.730 2.217 1.00 0.00 H new ATOM 1753 N PHE A 110 0.541 10.790 1.768 1.00 0.00 N ATOM 1754 CA PHE A 110 1.235 11.387 0.640 1.00 0.00 C ATOM 1755 C PHE A 110 1.122 12.904 0.652 1.00 0.00 C ATOM 1756 O PHE A 110 2.108 13.603 0.413 1.00 0.00 O ATOM 1757 CB PHE A 110 0.717 10.801 -0.670 1.00 0.00 C ATOM 1758 CG PHE A 110 0.977 9.325 -0.778 1.00 0.00 C ATOM 1759 CD1 PHE A 110 2.208 8.803 -0.413 1.00 0.00 C ATOM 1760 CD2 PHE A 110 -0.005 8.461 -1.232 1.00 0.00 C ATOM 1761 CE1 PHE A 110 2.456 7.452 -0.497 1.00 0.00 C ATOM 1762 CE2 PHE A 110 0.238 7.104 -1.321 1.00 0.00 C ATOM 1763 CZ PHE A 110 1.471 6.600 -0.952 1.00 0.00 C ATOM 0 H PHE A 110 -0.273 10.230 1.515 1.00 0.00 H new ATOM 0 HA PHE A 110 2.295 11.147 0.728 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -0.354 10.985 -0.749 1.00 0.00 H new ATOM 0 HB3 PHE A 110 1.191 11.313 -1.507 1.00 0.00 H new ATOM 0 HD1 PHE A 110 2.983 9.466 -0.058 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -0.970 8.852 -1.519 1.00 0.00 H new ATOM 0 HE1 PHE A 110 3.420 7.060 -0.207 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -0.534 6.438 -1.678 1.00 0.00 H new ATOM 0 HZ PHE A 110 1.663 5.539 -1.020 1.00 0.00 H new