USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=29 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 179:sc= 1.17 USER MOD Set 1.2: A 94 HIS : no HE2:sc= 0.45 K(o=1.6,f=-8.4!) USER MOD Set 2.1: A 39 ASN :FLIP amide:sc= 0.00275 F(o=1.8,f=3.4) USER MOD Set 2.2: A 47 THR OG1 : rot 51:sc= 1.13 USER MOD Set 2.3: A 70 LYS NZ :NH3+ -167:sc= 1.27 (180deg=-0.106) USER MOD Set 2.4: A 75 TYR OH : rot 30:sc= 0.995 USER MOD Set 3.1: A 23 THR OG1 : rot -13:sc= -0.15 USER MOD Set 3.2: A 72 CYS SG : rot 180:sc= 0.633 USER MOD Set 3.3: A 74 HIS :FLIP no HE2:sc= 0.606 F(o=-6.2!,f=1.1) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 167:sc= -0.068 (180deg=-0.372) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.091 X(o=-0.091,f=-0.051) USER MOD Single : A 25 LYS NZ :NH3+ -131:sc= 0.89 (180deg=-0.303) USER MOD Single : A 26 THR OG1 : rot -4:sc= 1.08 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.153 X(o=-0.15,f=-0.47) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0.0921 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 HIS : no HD1:sc= -2.63 K(o=-2.6,f=-4.8!) USER MOD Single : A 56 LYS NZ :NH3+ 174:sc= 1.26 (180deg=1.07) USER MOD Single : A 60 SER OG : rot 79:sc= 1.27 USER MOD Single : A 61 SER OG : rot -24:sc= 0.308 USER MOD Single : A 67 SER OG : rot 126:sc= -1.67! USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.037 USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 77 ASN : amide:sc= -5.7! C(o=-5.7!,f=-7.5!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= -1.76! C(o=-1.8!,f=-7.8!) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= -0.0189 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 ASN :FLIP amide:sc= 0.276 F(o=-2.1!,f=0.28) USER MOD ----------------------------------------------------------------- ATOM 20 N TYR A 2 -8.224 -8.482 8.820 1.00 0.00 N ATOM 21 CA TYR A 2 -7.565 -7.526 7.945 1.00 0.00 C ATOM 22 C TYR A 2 -8.131 -7.621 6.531 1.00 0.00 C ATOM 23 O TYR A 2 -9.073 -8.377 6.280 1.00 0.00 O ATOM 24 CB TYR A 2 -6.050 -7.766 7.927 1.00 0.00 C ATOM 25 CG TYR A 2 -5.373 -7.481 9.249 1.00 0.00 C ATOM 26 CD1 TYR A 2 -5.229 -8.476 10.205 1.00 0.00 C ATOM 27 CD2 TYR A 2 -4.877 -6.217 9.537 1.00 0.00 C ATOM 28 CE1 TYR A 2 -4.608 -8.221 11.409 1.00 0.00 C ATOM 29 CE2 TYR A 2 -4.253 -5.953 10.742 1.00 0.00 C ATOM 30 CZ TYR A 2 -4.123 -6.959 11.676 1.00 0.00 C ATOM 31 OH TYR A 2 -3.499 -6.708 12.876 1.00 0.00 O ATOM 0 HA TYR A 2 -7.752 -6.524 8.330 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -5.859 -8.802 7.647 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -5.601 -7.139 7.156 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -5.610 -9.466 10.003 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -4.980 -5.427 8.808 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -4.502 -9.008 12.141 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -3.870 -4.965 10.951 1.00 0.00 H new ATOM 0 HH TYR A 2 -3.214 -5.771 12.907 1.00 0.00 H new ATOM 41 N LEU A 3 -7.556 -6.854 5.618 1.00 0.00 N ATOM 42 CA LEU A 3 -8.004 -6.834 4.231 1.00 0.00 C ATOM 43 C LEU A 3 -7.088 -7.685 3.359 1.00 0.00 C ATOM 44 O LEU A 3 -5.884 -7.754 3.598 1.00 0.00 O ATOM 45 CB LEU A 3 -8.017 -5.396 3.706 1.00 0.00 C ATOM 46 CG LEU A 3 -8.772 -4.384 4.570 1.00 0.00 C ATOM 47 CD1 LEU A 3 -8.716 -3.006 3.932 1.00 0.00 C ATOM 48 CD2 LEU A 3 -10.214 -4.822 4.778 1.00 0.00 C ATOM 0 H LEU A 3 -6.772 -6.232 5.813 1.00 0.00 H new ATOM 0 HA LEU A 3 -9.012 -7.246 4.190 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -6.986 -5.058 3.599 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -8.458 -5.396 2.709 1.00 0.00 H new ATOM 0 HG LEU A 3 -8.291 -4.335 5.547 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -9.257 -2.294 4.556 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -7.677 -2.690 3.838 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -9.174 -3.044 2.944 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -10.732 -4.088 5.395 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -10.713 -4.901 3.812 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -10.232 -5.791 5.276 1.00 0.00 H new ATOM 60 N ARG A 4 -7.665 -8.335 2.360 1.00 0.00 N ATOM 61 CA ARG A 4 -6.890 -9.111 1.401 1.00 0.00 C ATOM 62 C ARG A 4 -6.140 -8.183 0.443 1.00 0.00 C ATOM 63 O ARG A 4 -6.582 -7.059 0.195 1.00 0.00 O ATOM 64 CB ARG A 4 -7.810 -10.061 0.626 1.00 0.00 C ATOM 65 CG ARG A 4 -8.220 -11.293 1.421 1.00 0.00 C ATOM 66 CD ARG A 4 -7.044 -12.240 1.618 1.00 0.00 C ATOM 67 NE ARG A 4 -7.381 -13.384 2.467 1.00 0.00 N ATOM 68 CZ ARG A 4 -6.810 -14.586 2.361 1.00 0.00 C ATOM 69 NH1 ARG A 4 -5.989 -14.852 1.352 1.00 0.00 N ATOM 70 NH2 ARG A 4 -7.096 -15.535 3.243 1.00 0.00 N ATOM 0 H ARG A 4 -8.671 -8.341 2.191 1.00 0.00 H new ATOM 0 HA ARG A 4 -6.155 -9.706 1.943 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -8.706 -9.519 0.323 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -7.305 -10.379 -0.287 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -8.611 -10.989 2.392 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -9.025 -11.813 0.901 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -6.705 -12.600 0.647 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -6.213 -11.694 2.063 1.00 0.00 H new ATOM 0 HE ARG A 4 -8.096 -13.255 3.183 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -5.792 -14.136 0.653 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -5.556 -15.772 1.276 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -7.752 -15.346 4.001 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -6.660 -16.454 3.163 1.00 0.00 H new ATOM 84 N PRO A 5 -5.000 -8.640 -0.110 1.00 0.00 N ATOM 85 CA PRO A 5 -4.136 -7.823 -0.975 1.00 0.00 C ATOM 86 C PRO A 5 -4.891 -7.196 -2.150 1.00 0.00 C ATOM 87 O PRO A 5 -4.700 -6.018 -2.465 1.00 0.00 O ATOM 88 CB PRO A 5 -3.077 -8.817 -1.481 1.00 0.00 C ATOM 89 CG PRO A 5 -3.617 -10.171 -1.166 1.00 0.00 C ATOM 90 CD PRO A 5 -4.457 -9.996 0.062 1.00 0.00 C ATOM 0 HA PRO A 5 -3.717 -6.976 -0.432 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -2.910 -8.701 -2.552 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -2.118 -8.653 -0.989 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -4.210 -10.559 -1.994 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -2.811 -10.883 -0.991 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -5.247 -10.744 0.122 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -3.865 -10.083 0.973 1.00 0.00 H new ATOM 98 N ASP A 6 -5.751 -7.987 -2.787 1.00 0.00 N ATOM 99 CA ASP A 6 -6.556 -7.511 -3.912 1.00 0.00 C ATOM 100 C ASP A 6 -7.457 -6.362 -3.494 1.00 0.00 C ATOM 101 O ASP A 6 -7.750 -5.469 -4.290 1.00 0.00 O ATOM 102 CB ASP A 6 -7.414 -8.639 -4.492 1.00 0.00 C ATOM 103 CG ASP A 6 -6.593 -9.696 -5.194 1.00 0.00 C ATOM 104 OD1 ASP A 6 -6.173 -9.457 -6.346 1.00 0.00 O ATOM 105 OD2 ASP A 6 -6.356 -10.763 -4.597 1.00 0.00 O ATOM 0 H ASP A 6 -5.910 -8.965 -2.543 1.00 0.00 H new ATOM 0 HA ASP A 6 -5.863 -7.160 -4.677 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -7.987 -9.104 -3.689 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -8.133 -8.218 -5.194 1.00 0.00 H new ATOM 110 N GLU A 7 -7.895 -6.386 -2.244 1.00 0.00 N ATOM 111 CA GLU A 7 -8.816 -5.380 -1.744 1.00 0.00 C ATOM 112 C GLU A 7 -8.062 -4.110 -1.363 1.00 0.00 C ATOM 113 O GLU A 7 -8.543 -3.001 -1.597 1.00 0.00 O ATOM 114 CB GLU A 7 -9.600 -5.922 -0.552 1.00 0.00 C ATOM 115 CG GLU A 7 -10.847 -5.123 -0.232 1.00 0.00 C ATOM 116 CD GLU A 7 -11.752 -5.847 0.734 1.00 0.00 C ATOM 117 OE1 GLU A 7 -11.422 -5.904 1.934 1.00 0.00 O ATOM 118 OE2 GLU A 7 -12.789 -6.385 0.297 1.00 0.00 O ATOM 0 H GLU A 7 -7.627 -7.092 -1.558 1.00 0.00 H new ATOM 0 HA GLU A 7 -9.524 -5.132 -2.535 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.882 -6.955 -0.753 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.951 -5.934 0.324 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.561 -4.160 0.192 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -11.392 -4.917 -1.153 1.00 0.00 H new ATOM 125 N VAL A 8 -6.874 -4.276 -0.792 1.00 0.00 N ATOM 126 CA VAL A 8 -6.019 -3.139 -0.467 1.00 0.00 C ATOM 127 C VAL A 8 -5.679 -2.371 -1.741 1.00 0.00 C ATOM 128 O VAL A 8 -5.821 -1.148 -1.805 1.00 0.00 O ATOM 129 CB VAL A 8 -4.712 -3.586 0.227 1.00 0.00 C ATOM 130 CG1 VAL A 8 -3.831 -2.391 0.565 1.00 0.00 C ATOM 131 CG2 VAL A 8 -5.019 -4.392 1.479 1.00 0.00 C ATOM 0 H VAL A 8 -6.481 -5.184 -0.545 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.566 -2.498 0.224 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.165 -4.221 -0.470 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.919 -2.737 1.052 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.573 -1.858 -0.350 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.369 -1.721 1.236 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.086 -4.697 1.953 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.596 -3.781 2.173 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.596 -5.277 1.210 1.00 0.00 H new ATOM 141 N ALA A 9 -5.251 -3.112 -2.760 1.00 0.00 N ATOM 142 CA ALA A 9 -4.948 -2.531 -4.063 1.00 0.00 C ATOM 143 C ALA A 9 -6.180 -1.864 -4.673 1.00 0.00 C ATOM 144 O ALA A 9 -6.069 -0.855 -5.365 1.00 0.00 O ATOM 145 CB ALA A 9 -4.409 -3.601 -5.001 1.00 0.00 C ATOM 0 H ALA A 9 -5.106 -4.120 -2.707 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.187 -1.764 -3.922 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.186 -3.156 -5.971 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.499 -4.029 -4.580 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.155 -4.386 -5.125 1.00 0.00 H new ATOM 151 N ARG A 10 -7.348 -2.441 -4.405 1.00 0.00 N ATOM 152 CA ARG A 10 -8.610 -1.922 -4.923 1.00 0.00 C ATOM 153 C ARG A 10 -8.857 -0.496 -4.433 1.00 0.00 C ATOM 154 O ARG A 10 -9.303 0.366 -5.190 1.00 0.00 O ATOM 155 CB ARG A 10 -9.759 -2.833 -4.488 1.00 0.00 C ATOM 156 CG ARG A 10 -11.083 -2.540 -5.178 1.00 0.00 C ATOM 157 CD ARG A 10 -12.162 -3.509 -4.729 1.00 0.00 C ATOM 158 NE ARG A 10 -13.359 -3.419 -5.560 1.00 0.00 N ATOM 159 CZ ARG A 10 -14.292 -4.365 -5.622 1.00 0.00 C ATOM 160 NH1 ARG A 10 -14.183 -5.467 -4.887 1.00 0.00 N ATOM 161 NH2 ARG A 10 -15.337 -4.208 -6.425 1.00 0.00 N ATOM 0 H ARG A 10 -7.446 -3.276 -3.827 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.555 -1.902 -6.011 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -9.481 -3.868 -4.685 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -9.895 -2.738 -3.411 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -11.393 -1.519 -4.957 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -10.956 -2.608 -6.258 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -11.773 -4.526 -4.764 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -12.425 -3.303 -3.691 1.00 0.00 H new ATOM 0 HE ARG A 10 -13.487 -2.581 -6.127 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -13.380 -5.591 -4.270 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -14.902 -6.188 -4.940 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -15.422 -3.364 -6.992 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -16.055 -4.931 -6.475 1.00 0.00 H new ATOM 175 N VAL A 11 -8.562 -0.254 -3.161 1.00 0.00 N ATOM 176 CA VAL A 11 -8.737 1.070 -2.574 1.00 0.00 C ATOM 177 C VAL A 11 -7.737 2.052 -3.179 1.00 0.00 C ATOM 178 O VAL A 11 -8.073 3.206 -3.456 1.00 0.00 O ATOM 179 CB VAL A 11 -8.574 1.033 -1.039 1.00 0.00 C ATOM 180 CG1 VAL A 11 -8.817 2.409 -0.432 1.00 0.00 C ATOM 181 CG2 VAL A 11 -9.516 0.007 -0.430 1.00 0.00 C ATOM 0 H VAL A 11 -8.201 -0.957 -2.516 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.751 1.402 -2.799 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.549 0.741 -0.813 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -8.696 2.356 0.650 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -8.100 3.120 -0.843 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.829 2.737 -0.668 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.389 -0.007 0.652 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -10.546 0.271 -0.671 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.290 -0.980 -0.834 1.00 0.00 H new ATOM 191 N LEU A 12 -6.515 1.577 -3.396 1.00 0.00 N ATOM 192 CA LEU A 12 -5.480 2.375 -4.048 1.00 0.00 C ATOM 193 C LEU A 12 -5.927 2.785 -5.450 1.00 0.00 C ATOM 194 O LEU A 12 -5.758 3.935 -5.859 1.00 0.00 O ATOM 195 CB LEU A 12 -4.174 1.581 -4.130 1.00 0.00 C ATOM 196 CG LEU A 12 -3.552 1.203 -2.785 1.00 0.00 C ATOM 197 CD1 LEU A 12 -2.369 0.274 -2.990 1.00 0.00 C ATOM 198 CD2 LEU A 12 -3.123 2.451 -2.029 1.00 0.00 C ATOM 0 H LEU A 12 -6.215 0.639 -3.129 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.313 3.274 -3.455 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.359 0.668 -4.696 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.448 2.165 -4.696 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.302 0.680 -2.192 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.938 0.015 -2.023 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.702 -0.633 -3.494 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.616 0.773 -3.601 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.682 2.164 -1.074 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.387 2.999 -2.618 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.991 3.086 -1.852 1.00 0.00 H new ATOM 210 N GLU A 13 -6.501 1.830 -6.172 1.00 0.00 N ATOM 211 CA GLU A 13 -7.023 2.071 -7.512 1.00 0.00 C ATOM 212 C GLU A 13 -8.049 3.203 -7.485 1.00 0.00 C ATOM 213 O GLU A 13 -7.995 4.129 -8.297 1.00 0.00 O ATOM 214 CB GLU A 13 -7.657 0.786 -8.051 1.00 0.00 C ATOM 215 CG GLU A 13 -8.084 0.862 -9.507 1.00 0.00 C ATOM 216 CD GLU A 13 -8.748 -0.416 -9.978 1.00 0.00 C ATOM 217 OE1 GLU A 13 -8.075 -1.468 -9.993 1.00 0.00 O ATOM 218 OE2 GLU A 13 -9.945 -0.379 -10.334 1.00 0.00 O ATOM 0 H GLU A 13 -6.618 0.870 -5.847 1.00 0.00 H new ATOM 0 HA GLU A 13 -6.205 2.367 -8.169 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.946 -0.032 -7.935 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.527 0.541 -7.442 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -8.773 1.697 -9.638 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.213 1.067 -10.129 1.00 0.00 H new ATOM 225 N LYS A 14 -8.961 3.130 -6.520 1.00 0.00 N ATOM 226 CA LYS A 14 -9.987 4.154 -6.336 1.00 0.00 C ATOM 227 C LYS A 14 -9.362 5.509 -6.064 1.00 0.00 C ATOM 228 O LYS A 14 -9.771 6.525 -6.623 1.00 0.00 O ATOM 229 CB LYS A 14 -10.884 3.793 -5.160 1.00 0.00 C ATOM 230 CG LYS A 14 -12.052 4.751 -4.989 1.00 0.00 C ATOM 231 CD LYS A 14 -13.012 4.304 -3.903 1.00 0.00 C ATOM 232 CE LYS A 14 -14.085 5.354 -3.659 1.00 0.00 C ATOM 233 NZ LYS A 14 -14.724 5.803 -4.926 1.00 0.00 N ATOM 0 H LYS A 14 -9.011 2.365 -5.847 1.00 0.00 H new ATOM 0 HA LYS A 14 -10.571 4.204 -7.255 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -11.267 2.782 -5.299 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -10.290 3.786 -4.246 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -11.672 5.744 -4.748 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -12.590 4.836 -5.933 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -13.479 3.362 -4.190 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -12.462 4.119 -2.980 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -14.846 4.947 -2.994 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.644 6.212 -3.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -15.585 6.343 -4.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -14.062 6.406 -5.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -14.972 4.974 -5.502 1.00 0.00 H new ATOM 247 N ALA A 15 -8.389 5.501 -5.172 1.00 0.00 N ATOM 248 CA ALA A 15 -7.668 6.713 -4.778 1.00 0.00 C ATOM 249 C ALA A 15 -7.050 7.440 -5.977 1.00 0.00 C ATOM 250 O ALA A 15 -6.742 8.634 -5.898 1.00 0.00 O ATOM 251 CB ALA A 15 -6.593 6.370 -3.761 1.00 0.00 C ATOM 0 H ALA A 15 -8.071 4.657 -4.696 1.00 0.00 H new ATOM 0 HA ALA A 15 -8.393 7.392 -4.330 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.062 7.277 -3.473 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.055 5.925 -2.880 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.890 5.661 -4.199 1.00 0.00 H new ATOM 257 N GLY A 16 -6.875 6.726 -7.080 1.00 0.00 N ATOM 258 CA GLY A 16 -6.333 7.333 -8.279 1.00 0.00 C ATOM 259 C GLY A 16 -4.943 6.838 -8.592 1.00 0.00 C ATOM 260 O GLY A 16 -4.128 7.560 -9.170 1.00 0.00 O ATOM 0 H GLY A 16 -7.099 5.735 -7.166 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.991 7.119 -9.121 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.312 8.416 -8.158 1.00 0.00 H new ATOM 264 N PHE A 17 -4.667 5.607 -8.204 1.00 0.00 N ATOM 265 CA PHE A 17 -3.369 5.003 -8.443 1.00 0.00 C ATOM 266 C PHE A 17 -3.367 4.188 -9.730 1.00 0.00 C ATOM 267 O PHE A 17 -4.420 3.854 -10.273 1.00 0.00 O ATOM 268 CB PHE A 17 -2.982 4.100 -7.277 1.00 0.00 C ATOM 269 CG PHE A 17 -2.407 4.821 -6.086 1.00 0.00 C ATOM 270 CD1 PHE A 17 -3.187 5.677 -5.325 1.00 0.00 C ATOM 271 CD2 PHE A 17 -1.081 4.630 -5.723 1.00 0.00 C ATOM 272 CE1 PHE A 17 -2.655 6.331 -4.229 1.00 0.00 C ATOM 273 CE2 PHE A 17 -0.544 5.281 -4.628 1.00 0.00 C ATOM 274 CZ PHE A 17 -1.334 6.132 -3.881 1.00 0.00 C ATOM 0 H PHE A 17 -5.329 5.002 -7.719 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.643 5.811 -8.539 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.864 3.544 -6.957 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.254 3.368 -7.628 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.222 5.835 -5.591 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.460 3.964 -6.304 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -3.273 6.997 -3.645 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.490 5.124 -4.358 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.918 6.642 -3.024 1.00 0.00 H new ATOM 284 N THR A 18 -2.177 3.878 -10.211 1.00 0.00 N ATOM 285 CA THR A 18 -2.008 3.027 -11.373 1.00 0.00 C ATOM 286 C THR A 18 -0.950 1.969 -11.086 1.00 0.00 C ATOM 287 O THR A 18 -0.082 2.173 -10.236 1.00 0.00 O ATOM 288 CB THR A 18 -1.603 3.851 -12.612 1.00 0.00 C ATOM 289 OG1 THR A 18 -0.808 4.980 -12.216 1.00 0.00 O ATOM 290 CG2 THR A 18 -2.830 4.325 -13.374 1.00 0.00 C ATOM 0 H THR A 18 -1.301 4.209 -9.807 1.00 0.00 H new ATOM 0 HA THR A 18 -2.961 2.543 -11.584 1.00 0.00 H new ATOM 0 HB THR A 18 -1.016 3.210 -13.269 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.554 5.496 -13.010 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.517 4.904 -14.243 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.410 3.463 -13.702 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.443 4.949 -12.724 1.00 0.00 H new ATOM 298 N VAL A 19 -1.022 0.834 -11.764 1.00 0.00 N ATOM 299 CA VAL A 19 -0.044 -0.215 -11.539 1.00 0.00 C ATOM 300 C VAL A 19 1.116 -0.065 -12.519 1.00 0.00 C ATOM 301 O VAL A 19 0.920 0.287 -13.686 1.00 0.00 O ATOM 302 CB VAL A 19 -0.661 -1.636 -11.653 1.00 0.00 C ATOM 303 CG1 VAL A 19 -1.005 -1.983 -13.093 1.00 0.00 C ATOM 304 CG2 VAL A 19 0.278 -2.676 -11.060 1.00 0.00 C ATOM 0 H VAL A 19 -1.734 0.619 -12.462 1.00 0.00 H new ATOM 0 HA VAL A 19 0.320 -0.105 -10.518 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.590 -1.640 -11.083 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.434 -2.984 -13.133 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.727 -1.263 -13.478 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.101 -1.951 -13.701 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.172 -3.665 -11.149 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.226 -2.659 -11.597 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.453 -2.450 -10.008 1.00 0.00 H new ATOM 314 N ASP A 20 2.325 -0.282 -12.035 1.00 0.00 N ATOM 315 CA ASP A 20 3.499 -0.255 -12.889 1.00 0.00 C ATOM 316 C ASP A 20 3.943 -1.678 -13.177 1.00 0.00 C ATOM 317 O ASP A 20 3.766 -2.186 -14.281 1.00 0.00 O ATOM 318 CB ASP A 20 4.637 0.525 -12.224 1.00 0.00 C ATOM 319 CG ASP A 20 5.789 0.793 -13.172 1.00 0.00 C ATOM 320 OD1 ASP A 20 6.617 -0.113 -13.393 1.00 0.00 O ATOM 321 OD2 ASP A 20 5.869 1.922 -13.697 1.00 0.00 O ATOM 0 H ASP A 20 2.520 -0.479 -11.053 1.00 0.00 H new ATOM 0 HA ASP A 20 3.244 0.246 -13.823 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.252 1.473 -11.848 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.002 -0.035 -11.363 1.00 0.00 H new ATOM 326 N VAL A 21 4.482 -2.330 -12.161 1.00 0.00 N ATOM 327 CA VAL A 21 4.934 -3.702 -12.293 1.00 0.00 C ATOM 328 C VAL A 21 3.968 -4.651 -11.596 1.00 0.00 C ATOM 329 O VAL A 21 3.614 -4.457 -10.437 1.00 0.00 O ATOM 330 CB VAL A 21 6.363 -3.878 -11.725 1.00 0.00 C ATOM 331 CG1 VAL A 21 6.444 -3.435 -10.263 1.00 0.00 C ATOM 332 CG2 VAL A 21 6.836 -5.316 -11.883 1.00 0.00 C ATOM 0 H VAL A 21 4.617 -1.929 -11.233 1.00 0.00 H new ATOM 0 HA VAL A 21 4.960 -3.945 -13.355 1.00 0.00 H new ATOM 0 HB VAL A 21 7.028 -3.235 -12.301 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.461 -3.573 -9.897 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.170 -2.383 -10.186 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.759 -4.034 -9.663 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.843 -5.415 -11.477 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.161 -5.982 -11.346 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.844 -5.582 -12.940 1.00 0.00 H new ATOM 342 N VAL A 22 3.521 -5.668 -12.306 1.00 0.00 N ATOM 343 CA VAL A 22 2.607 -6.630 -11.728 1.00 0.00 C ATOM 344 C VAL A 22 3.269 -8.003 -11.595 1.00 0.00 C ATOM 345 O VAL A 22 3.308 -8.797 -12.535 1.00 0.00 O ATOM 346 CB VAL A 22 1.281 -6.714 -12.531 1.00 0.00 C ATOM 347 CG1 VAL A 22 1.532 -6.950 -14.013 1.00 0.00 C ATOM 348 CG2 VAL A 22 0.367 -7.789 -11.958 1.00 0.00 C ATOM 0 H VAL A 22 3.774 -5.848 -13.278 1.00 0.00 H new ATOM 0 HA VAL A 22 2.353 -6.284 -10.726 1.00 0.00 H new ATOM 0 HB VAL A 22 0.781 -5.750 -12.435 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.579 -7.003 -14.540 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.125 -6.129 -14.417 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.072 -7.887 -14.146 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.556 -7.829 -12.537 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.868 -8.756 -12.006 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.134 -7.553 -10.920 1.00 0.00 H new ATOM 358 N THR A 23 3.837 -8.258 -10.426 1.00 0.00 N ATOM 359 CA THR A 23 4.415 -9.557 -10.136 1.00 0.00 C ATOM 360 C THR A 23 3.362 -10.435 -9.473 1.00 0.00 C ATOM 361 O THR A 23 2.456 -9.929 -8.808 1.00 0.00 O ATOM 362 CB THR A 23 5.670 -9.448 -9.235 1.00 0.00 C ATOM 363 OG1 THR A 23 5.339 -8.863 -7.974 1.00 0.00 O ATOM 364 CG2 THR A 23 6.751 -8.613 -9.904 1.00 0.00 C ATOM 0 H THR A 23 3.909 -7.582 -9.665 1.00 0.00 H new ATOM 0 HA THR A 23 4.737 -10.005 -11.076 1.00 0.00 H new ATOM 0 HB THR A 23 6.047 -10.458 -9.077 1.00 0.00 H new ATOM 0 HG1 THR A 23 4.445 -8.464 -8.023 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.621 -8.553 -9.250 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.038 -9.077 -10.847 1.00 0.00 H new ATOM 0 HG23 THR A 23 6.370 -7.610 -10.095 1.00 0.00 H new ATOM 372 N ASN A 24 3.480 -11.742 -9.644 1.00 0.00 N ATOM 373 CA ASN A 24 2.472 -12.680 -9.151 1.00 0.00 C ATOM 374 C ASN A 24 2.416 -12.696 -7.621 1.00 0.00 C ATOM 375 O ASN A 24 1.523 -13.298 -7.028 1.00 0.00 O ATOM 376 CB ASN A 24 2.764 -14.086 -9.689 1.00 0.00 C ATOM 377 CG ASN A 24 1.618 -15.057 -9.465 1.00 0.00 C ATOM 378 OD1 ASN A 24 0.680 -15.119 -10.260 1.00 0.00 O ATOM 379 ND2 ASN A 24 1.687 -15.834 -8.395 1.00 0.00 N ATOM 0 H ASN A 24 4.266 -12.183 -10.122 1.00 0.00 H new ATOM 0 HA ASN A 24 1.498 -12.350 -9.511 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.977 -14.024 -10.756 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.661 -14.474 -9.207 1.00 0.00 H new ATOM 0 HD21 ASN A 24 0.948 -16.511 -8.208 1.00 0.00 H new ATOM 0 HD22 ASN A 24 2.479 -15.755 -7.758 1.00 0.00 H new ATOM 386 N LYS A 25 3.357 -12.013 -6.982 1.00 0.00 N ATOM 387 CA LYS A 25 3.429 -12.003 -5.534 1.00 0.00 C ATOM 388 C LYS A 25 3.305 -10.587 -4.997 1.00 0.00 C ATOM 389 O LYS A 25 3.288 -10.373 -3.783 1.00 0.00 O ATOM 390 CB LYS A 25 4.755 -12.595 -5.066 1.00 0.00 C ATOM 391 CG LYS A 25 4.959 -14.045 -5.460 1.00 0.00 C ATOM 392 CD LYS A 25 6.315 -14.541 -5.000 1.00 0.00 C ATOM 393 CE LYS A 25 6.503 -16.012 -5.313 1.00 0.00 C ATOM 394 NZ LYS A 25 5.520 -16.867 -4.590 1.00 0.00 N ATOM 0 H LYS A 25 4.078 -11.461 -7.446 1.00 0.00 H new ATOM 0 HA LYS A 25 2.603 -12.604 -5.155 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.571 -12.000 -5.476 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.814 -12.513 -3.981 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.173 -14.660 -5.021 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.877 -14.148 -6.542 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.100 -13.961 -5.486 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.418 -14.380 -3.927 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.400 -16.170 -6.387 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.515 -16.314 -5.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.019 -17.651 -4.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.024 -16.297 -3.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.830 -17.250 -5.267 1.00 0.00 H new ATOM 408 N THR A 26 3.212 -9.618 -5.895 1.00 0.00 N ATOM 409 CA THR A 26 3.287 -8.225 -5.497 1.00 0.00 C ATOM 410 C THR A 26 2.810 -7.277 -6.606 1.00 0.00 C ATOM 411 O THR A 26 3.214 -7.399 -7.763 1.00 0.00 O ATOM 412 CB THR A 26 4.742 -7.870 -5.100 1.00 0.00 C ATOM 413 OG1 THR A 26 5.091 -8.484 -3.848 1.00 0.00 O ATOM 414 CG2 THR A 26 4.947 -6.372 -5.012 1.00 0.00 C ATOM 0 H THR A 26 3.086 -9.771 -6.896 1.00 0.00 H new ATOM 0 HA THR A 26 2.622 -8.094 -4.643 1.00 0.00 H new ATOM 0 HB THR A 26 5.394 -8.257 -5.883 1.00 0.00 H new ATOM 0 HG1 THR A 26 4.310 -8.950 -3.483 1.00 0.00 H new ATOM 0 HG21 THR A 26 5.979 -6.162 -4.731 1.00 0.00 H new ATOM 0 HG22 THR A 26 4.735 -5.918 -5.980 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.275 -5.956 -4.261 1.00 0.00 H new ATOM 422 N TYR A 27 1.947 -6.339 -6.245 1.00 0.00 N ATOM 423 CA TYR A 27 1.511 -5.301 -7.171 1.00 0.00 C ATOM 424 C TYR A 27 2.324 -4.032 -6.969 1.00 0.00 C ATOM 425 O TYR A 27 2.208 -3.376 -5.937 1.00 0.00 O ATOM 426 CB TYR A 27 0.030 -4.980 -6.981 1.00 0.00 C ATOM 427 CG TYR A 27 -0.910 -6.021 -7.536 1.00 0.00 C ATOM 428 CD1 TYR A 27 -1.279 -7.128 -6.782 1.00 0.00 C ATOM 429 CD2 TYR A 27 -1.439 -5.890 -8.813 1.00 0.00 C ATOM 430 CE1 TYR A 27 -2.147 -8.072 -7.288 1.00 0.00 C ATOM 431 CE2 TYR A 27 -2.311 -6.831 -9.322 1.00 0.00 C ATOM 432 CZ TYR A 27 -2.660 -7.918 -8.556 1.00 0.00 C ATOM 433 OH TYR A 27 -3.533 -8.853 -9.054 1.00 0.00 O ATOM 0 H TYR A 27 1.533 -6.274 -5.315 1.00 0.00 H new ATOM 0 HA TYR A 27 1.665 -5.678 -8.182 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.169 -4.859 -5.916 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.186 -4.023 -7.456 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -0.880 -7.251 -5.786 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -1.164 -5.038 -9.418 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -2.423 -8.929 -6.692 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -2.717 -6.714 -10.316 1.00 0.00 H new ATOM 0 HH TYR A 27 -3.803 -8.598 -9.961 1.00 0.00 H new ATOM 443 N GLY A 28 3.156 -3.703 -7.942 1.00 0.00 N ATOM 444 CA GLY A 28 3.905 -2.468 -7.890 1.00 0.00 C ATOM 445 C GLY A 28 3.041 -1.292 -8.287 1.00 0.00 C ATOM 446 O GLY A 28 3.007 -0.897 -9.454 1.00 0.00 O ATOM 0 H GLY A 28 3.327 -4.272 -8.771 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.292 -2.316 -6.882 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.766 -2.532 -8.556 1.00 0.00 H new ATOM 450 N TYR A 29 2.331 -0.752 -7.316 1.00 0.00 N ATOM 451 CA TYR A 29 1.395 0.333 -7.542 1.00 0.00 C ATOM 452 C TYR A 29 2.083 1.684 -7.387 1.00 0.00 C ATOM 453 O TYR A 29 2.986 1.835 -6.565 1.00 0.00 O ATOM 454 CB TYR A 29 0.245 0.210 -6.546 1.00 0.00 C ATOM 455 CG TYR A 29 -1.044 -0.284 -7.156 1.00 0.00 C ATOM 456 CD1 TYR A 29 -1.325 -1.641 -7.217 1.00 0.00 C ATOM 457 CD2 TYR A 29 -1.981 0.602 -7.672 1.00 0.00 C ATOM 458 CE1 TYR A 29 -2.502 -2.103 -7.773 1.00 0.00 C ATOM 459 CE2 TYR A 29 -3.162 0.149 -8.230 1.00 0.00 C ATOM 460 CZ TYR A 29 -3.417 -1.203 -8.278 1.00 0.00 C ATOM 461 OH TYR A 29 -4.589 -1.658 -8.836 1.00 0.00 O ATOM 0 H TYR A 29 2.387 -1.055 -6.344 1.00 0.00 H new ATOM 0 HA TYR A 29 1.011 0.268 -8.560 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.541 -0.470 -5.747 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.069 1.183 -6.088 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.611 -2.349 -6.823 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -1.784 1.663 -7.637 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -2.705 -3.163 -7.812 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -3.880 0.852 -8.626 1.00 0.00 H new ATOM 0 HH TYR A 29 -5.123 -0.896 -9.143 1.00 0.00 H new ATOM 471 N ARG A 30 1.669 2.664 -8.179 1.00 0.00 N ATOM 472 CA ARG A 30 2.238 3.995 -8.069 1.00 0.00 C ATOM 473 C ARG A 30 1.251 5.074 -8.490 1.00 0.00 C ATOM 474 O ARG A 30 0.347 4.842 -9.293 1.00 0.00 O ATOM 475 CB ARG A 30 3.527 4.124 -8.893 1.00 0.00 C ATOM 476 CG ARG A 30 3.358 3.909 -10.391 1.00 0.00 C ATOM 477 CD ARG A 30 4.600 4.369 -11.143 1.00 0.00 C ATOM 478 NE ARG A 30 4.588 4.008 -12.563 1.00 0.00 N ATOM 479 CZ ARG A 30 4.159 4.804 -13.540 1.00 0.00 C ATOM 480 NH1 ARG A 30 3.607 5.977 -13.261 1.00 0.00 N ATOM 481 NH2 ARG A 30 4.279 4.420 -14.801 1.00 0.00 N ATOM 0 H ARG A 30 0.950 2.562 -8.895 1.00 0.00 H new ATOM 0 HA ARG A 30 2.476 4.142 -7.015 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.947 5.116 -8.729 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.254 3.404 -8.518 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.174 2.854 -10.594 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.487 4.459 -10.747 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.691 5.451 -11.052 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.482 3.934 -10.673 1.00 0.00 H new ATOM 0 HE ARG A 30 4.932 3.083 -12.821 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.508 6.276 -12.291 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.281 6.580 -14.016 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.699 3.517 -15.021 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.951 5.027 -15.552 1.00 0.00 H new ATOM 495 N ARG A 31 1.425 6.249 -7.909 1.00 0.00 N ATOM 496 CA ARG A 31 0.707 7.441 -8.333 1.00 0.00 C ATOM 497 C ARG A 31 1.683 8.603 -8.381 1.00 0.00 C ATOM 498 O ARG A 31 1.805 9.366 -7.420 1.00 0.00 O ATOM 499 CB ARG A 31 -0.459 7.777 -7.396 1.00 0.00 C ATOM 500 CG ARG A 31 -1.372 8.867 -7.945 1.00 0.00 C ATOM 501 CD ARG A 31 -2.465 9.254 -6.958 1.00 0.00 C ATOM 502 NE ARG A 31 -1.969 10.107 -5.874 1.00 0.00 N ATOM 503 CZ ARG A 31 -2.757 10.646 -4.940 1.00 0.00 C ATOM 504 NH1 ARG A 31 -4.063 10.400 -4.950 1.00 0.00 N ATOM 505 NH2 ARG A 31 -2.248 11.433 -4.000 1.00 0.00 N ATOM 0 H ARG A 31 2.067 6.404 -7.131 1.00 0.00 H new ATOM 0 HA ARG A 31 0.282 7.254 -9.319 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.046 6.876 -7.218 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.062 8.095 -6.432 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -0.777 9.747 -8.189 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.828 8.523 -8.873 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.262 9.775 -7.489 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.902 8.351 -6.533 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.968 10.299 -5.831 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -4.463 9.800 -5.671 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.665 10.812 -4.237 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.247 11.631 -3.987 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.858 11.840 -3.291 1.00 0.00 H new ATOM 519 N GLY A 32 2.408 8.703 -9.483 1.00 0.00 N ATOM 520 CA GLY A 32 3.429 9.719 -9.606 1.00 0.00 C ATOM 521 C GLY A 32 4.598 9.457 -8.678 1.00 0.00 C ATOM 522 O GLY A 32 5.435 8.598 -8.953 1.00 0.00 O ATOM 0 H GLY A 32 2.307 8.096 -10.297 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.784 9.755 -10.636 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.999 10.695 -9.382 1.00 0.00 H new ATOM 526 N GLU A 33 4.636 10.176 -7.568 1.00 0.00 N ATOM 527 CA GLU A 33 5.709 10.041 -6.588 1.00 0.00 C ATOM 528 C GLU A 33 5.396 8.939 -5.571 1.00 0.00 C ATOM 529 O GLU A 33 6.283 8.453 -4.868 1.00 0.00 O ATOM 530 CB GLU A 33 5.913 11.382 -5.876 1.00 0.00 C ATOM 531 CG GLU A 33 6.879 11.330 -4.702 1.00 0.00 C ATOM 532 CD GLU A 33 7.054 12.678 -4.039 1.00 0.00 C ATOM 533 OE1 GLU A 33 6.089 13.177 -3.420 1.00 0.00 O ATOM 534 OE2 GLU A 33 8.155 13.255 -4.148 1.00 0.00 O ATOM 0 H GLU A 33 3.929 10.868 -7.319 1.00 0.00 H new ATOM 0 HA GLU A 33 6.625 9.759 -7.107 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.278 12.111 -6.599 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.947 11.741 -5.520 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.515 10.611 -3.967 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.848 10.970 -5.048 1.00 0.00 H new ATOM 541 N ASN A 34 4.145 8.517 -5.522 1.00 0.00 N ATOM 542 CA ASN A 34 3.722 7.563 -4.506 1.00 0.00 C ATOM 543 C ASN A 34 3.896 6.143 -5.004 1.00 0.00 C ATOM 544 O ASN A 34 3.102 5.658 -5.804 1.00 0.00 O ATOM 545 CB ASN A 34 2.258 7.779 -4.115 1.00 0.00 C ATOM 546 CG ASN A 34 1.964 9.197 -3.674 1.00 0.00 C ATOM 547 OD1 ASN A 34 2.836 9.907 -3.177 1.00 0.00 O ATOM 548 ND2 ASN A 34 0.720 9.612 -3.835 1.00 0.00 N ATOM 0 H ASN A 34 3.410 8.814 -6.164 1.00 0.00 H new ATOM 0 HA ASN A 34 4.349 7.724 -3.629 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.621 7.529 -4.963 1.00 0.00 H new ATOM 0 HB3 ASN A 34 1.998 7.093 -3.309 1.00 0.00 H new ATOM 0 HD21 ASN A 34 0.454 10.552 -3.543 1.00 0.00 H new ATOM 0 HD22 ASN A 34 0.025 8.992 -4.252 1.00 0.00 H new ATOM 555 N TYR A 35 4.949 5.488 -4.546 1.00 0.00 N ATOM 556 CA TYR A 35 5.209 4.105 -4.909 1.00 0.00 C ATOM 557 C TYR A 35 4.842 3.178 -3.759 1.00 0.00 C ATOM 558 O TYR A 35 5.349 3.329 -2.645 1.00 0.00 O ATOM 559 CB TYR A 35 6.682 3.912 -5.276 1.00 0.00 C ATOM 560 CG TYR A 35 7.128 4.723 -6.473 1.00 0.00 C ATOM 561 CD1 TYR A 35 6.915 4.260 -7.766 1.00 0.00 C ATOM 562 CD2 TYR A 35 7.766 5.945 -6.311 1.00 0.00 C ATOM 563 CE1 TYR A 35 7.325 4.993 -8.863 1.00 0.00 C ATOM 564 CE2 TYR A 35 8.179 6.683 -7.404 1.00 0.00 C ATOM 565 CZ TYR A 35 7.956 6.202 -8.677 1.00 0.00 C ATOM 566 OH TYR A 35 8.366 6.932 -9.768 1.00 0.00 O ATOM 0 H TYR A 35 5.642 5.895 -3.918 1.00 0.00 H new ATOM 0 HA TYR A 35 4.595 3.860 -5.776 1.00 0.00 H new ATOM 0 HB2 TYR A 35 7.298 4.181 -4.418 1.00 0.00 H new ATOM 0 HB3 TYR A 35 6.860 2.856 -5.478 1.00 0.00 H new ATOM 0 HD1 TYR A 35 6.421 3.311 -7.916 1.00 0.00 H new ATOM 0 HD2 TYR A 35 7.942 6.325 -5.316 1.00 0.00 H new ATOM 0 HE1 TYR A 35 7.151 4.619 -9.861 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.674 7.632 -7.262 1.00 0.00 H new ATOM 0 HH TYR A 35 8.793 7.761 -9.465 1.00 0.00 H new ATOM 576 N VAL A 36 3.956 2.231 -4.028 1.00 0.00 N ATOM 577 CA VAL A 36 3.532 1.265 -3.025 1.00 0.00 C ATOM 578 C VAL A 36 3.446 -0.135 -3.623 1.00 0.00 C ATOM 579 O VAL A 36 2.753 -0.365 -4.611 1.00 0.00 O ATOM 580 CB VAL A 36 2.172 1.637 -2.387 1.00 0.00 C ATOM 581 CG1 VAL A 36 2.324 2.817 -1.444 1.00 0.00 C ATOM 582 CG2 VAL A 36 1.127 1.942 -3.450 1.00 0.00 C ATOM 0 H VAL A 36 3.514 2.110 -4.939 1.00 0.00 H new ATOM 0 HA VAL A 36 4.288 1.282 -2.240 1.00 0.00 H new ATOM 0 HB VAL A 36 1.830 0.775 -1.814 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.356 3.061 -1.007 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.026 2.560 -0.650 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.700 3.678 -1.996 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.183 2.200 -2.969 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.463 2.780 -4.061 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.985 1.066 -4.082 1.00 0.00 H new ATOM 592 N TYR A 37 4.164 -1.066 -3.027 1.00 0.00 N ATOM 593 CA TYR A 37 4.153 -2.444 -3.482 1.00 0.00 C ATOM 594 C TYR A 37 3.185 -3.254 -2.628 1.00 0.00 C ATOM 595 O TYR A 37 3.393 -3.416 -1.426 1.00 0.00 O ATOM 596 CB TYR A 37 5.554 -3.047 -3.397 1.00 0.00 C ATOM 597 CG TYR A 37 6.576 -2.368 -4.282 1.00 0.00 C ATOM 598 CD1 TYR A 37 7.301 -1.275 -3.825 1.00 0.00 C ATOM 599 CD2 TYR A 37 6.825 -2.827 -5.571 1.00 0.00 C ATOM 600 CE1 TYR A 37 8.242 -0.659 -4.627 1.00 0.00 C ATOM 601 CE2 TYR A 37 7.765 -2.212 -6.377 1.00 0.00 C ATOM 602 CZ TYR A 37 8.472 -1.130 -5.899 1.00 0.00 C ATOM 603 OH TYR A 37 9.413 -0.517 -6.696 1.00 0.00 O ATOM 0 H TYR A 37 4.766 -0.893 -2.222 1.00 0.00 H new ATOM 0 HA TYR A 37 3.829 -2.470 -4.522 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.896 -2.999 -2.363 1.00 0.00 H new ATOM 0 HB3 TYR A 37 5.500 -4.102 -3.666 1.00 0.00 H new ATOM 0 HD1 TYR A 37 7.126 -0.901 -2.827 1.00 0.00 H new ATOM 0 HD2 TYR A 37 6.276 -3.677 -5.948 1.00 0.00 H new ATOM 0 HE1 TYR A 37 8.796 0.191 -4.256 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.944 -2.578 -7.377 1.00 0.00 H new ATOM 0 HH TYR A 37 9.454 -0.972 -7.563 1.00 0.00 H new ATOM 613 N VAL A 38 2.120 -3.739 -3.242 1.00 0.00 N ATOM 614 CA VAL A 38 1.119 -4.511 -2.523 1.00 0.00 C ATOM 615 C VAL A 38 1.531 -5.974 -2.445 1.00 0.00 C ATOM 616 O VAL A 38 1.570 -6.672 -3.461 1.00 0.00 O ATOM 617 CB VAL A 38 -0.270 -4.405 -3.189 1.00 0.00 C ATOM 618 CG1 VAL A 38 -1.329 -5.111 -2.353 1.00 0.00 C ATOM 619 CG2 VAL A 38 -0.643 -2.949 -3.418 1.00 0.00 C ATOM 0 H VAL A 38 1.925 -3.613 -4.235 1.00 0.00 H new ATOM 0 HA VAL A 38 1.051 -4.095 -1.518 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.222 -4.902 -4.158 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.298 -5.022 -2.843 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.069 -6.165 -2.251 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.378 -4.652 -1.365 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.625 -2.895 -3.888 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.669 -2.425 -2.462 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.097 -2.482 -4.068 1.00 0.00 H new ATOM 629 N ASN A 39 1.855 -6.427 -1.242 1.00 0.00 N ATOM 630 CA ASN A 39 2.239 -7.817 -1.024 1.00 0.00 C ATOM 631 C ASN A 39 1.027 -8.721 -1.201 1.00 0.00 C ATOM 632 O ASN A 39 0.097 -8.706 -0.397 1.00 0.00 O ATOM 633 CB ASN A 39 2.845 -8.011 0.368 1.00 0.00 C ATOM 634 CG ASN A 39 3.386 -9.418 0.590 1.00 0.00 C ATOM 635 OD1 ASN A 39 3.878 -10.051 -0.468 1.00 0.00 O flip ATOM 636 ND2 ASN A 39 3.373 -9.929 1.710 1.00 0.00 N flip ATOM 0 H ASN A 39 1.860 -5.852 -0.400 1.00 0.00 H new ATOM 0 HA ASN A 39 2.998 -8.083 -1.760 1.00 0.00 H new ATOM 0 HB2 ASN A 39 3.651 -7.291 0.511 1.00 0.00 H new ATOM 0 HB3 ASN A 39 2.087 -7.796 1.121 1.00 0.00 H new ATOM 0 HD21 ASN A 39 2.987 -9.414 2.501 1.00 0.00 H new ATOM 0 HD22 ASN A 39 3.748 -10.868 1.847 1.00 0.00 H new ATOM 643 N ARG A 40 1.054 -9.503 -2.264 1.00 0.00 N ATOM 644 CA ARG A 40 -0.064 -10.354 -2.637 1.00 0.00 C ATOM 645 C ARG A 40 -0.022 -11.665 -1.857 1.00 0.00 C ATOM 646 O ARG A 40 -0.986 -12.426 -1.836 1.00 0.00 O ATOM 647 CB ARG A 40 -0.004 -10.609 -4.141 1.00 0.00 C ATOM 648 CG ARG A 40 -1.159 -11.409 -4.703 1.00 0.00 C ATOM 649 CD ARG A 40 -1.079 -11.444 -6.215 1.00 0.00 C ATOM 650 NE ARG A 40 -2.165 -12.214 -6.821 1.00 0.00 N ATOM 651 CZ ARG A 40 -3.412 -11.760 -6.960 1.00 0.00 C ATOM 652 NH1 ARG A 40 -3.762 -10.601 -6.423 1.00 0.00 N ATOM 653 NH2 ARG A 40 -4.315 -12.473 -7.618 1.00 0.00 N ATOM 0 H ARG A 40 1.853 -9.567 -2.895 1.00 0.00 H new ATOM 0 HA ARG A 40 -1.004 -9.859 -2.393 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.037 -9.649 -4.655 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.925 -11.132 -4.368 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.136 -12.424 -4.306 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.105 -10.966 -4.391 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.104 -10.424 -6.600 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.123 -11.874 -6.514 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.957 -13.154 -7.157 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.078 -10.053 -5.902 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.716 -10.256 -6.531 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.058 -13.374 -8.021 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -5.267 -12.121 -7.721 1.00 0.00 H new ATOM 667 N GLU A 41 1.102 -11.902 -1.196 1.00 0.00 N ATOM 668 CA GLU A 41 1.295 -13.118 -0.414 1.00 0.00 C ATOM 669 C GLU A 41 0.714 -12.948 0.993 1.00 0.00 C ATOM 670 O GLU A 41 0.838 -13.831 1.847 1.00 0.00 O ATOM 671 CB GLU A 41 2.788 -13.453 -0.335 1.00 0.00 C ATOM 672 CG GLU A 41 3.470 -13.535 -1.693 1.00 0.00 C ATOM 673 CD GLU A 41 3.028 -14.734 -2.514 1.00 0.00 C ATOM 674 OE1 GLU A 41 1.931 -14.684 -3.102 1.00 0.00 O ATOM 675 OE2 GLU A 41 3.797 -15.718 -2.596 1.00 0.00 O ATOM 0 H GLU A 41 1.899 -11.265 -1.185 1.00 0.00 H new ATOM 0 HA GLU A 41 0.772 -13.939 -0.905 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.290 -12.696 0.268 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.911 -14.405 0.181 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.262 -12.623 -2.253 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.549 -13.580 -1.548 1.00 0.00 H new ATOM 682 N ALA A 42 0.072 -11.809 1.215 1.00 0.00 N ATOM 683 CA ALA A 42 -0.539 -11.495 2.499 1.00 0.00 C ATOM 684 C ALA A 42 -1.862 -12.235 2.662 1.00 0.00 C ATOM 685 O ALA A 42 -2.900 -11.756 2.210 1.00 0.00 O ATOM 686 CB ALA A 42 -0.794 -10.003 2.604 1.00 0.00 C ATOM 0 H ALA A 42 -0.040 -11.079 0.512 1.00 0.00 H new ATOM 0 HA ALA A 42 0.147 -11.810 3.285 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.251 -9.779 3.568 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.150 -9.465 2.516 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.465 -9.691 1.803 1.00 0.00 H new ATOM 692 N ARG A 43 -1.829 -13.412 3.271 1.00 0.00 N ATOM 693 CA ARG A 43 -3.067 -14.113 3.598 1.00 0.00 C ATOM 694 C ARG A 43 -3.775 -13.381 4.730 1.00 0.00 C ATOM 695 O ARG A 43 -4.994 -13.442 4.875 1.00 0.00 O ATOM 696 CB ARG A 43 -2.797 -15.571 3.970 1.00 0.00 C ATOM 697 CG ARG A 43 -2.354 -16.418 2.785 1.00 0.00 C ATOM 698 CD ARG A 43 -2.142 -17.869 3.179 1.00 0.00 C ATOM 699 NE ARG A 43 -1.074 -18.016 4.163 1.00 0.00 N ATOM 700 CZ ARG A 43 -1.000 -19.028 5.029 1.00 0.00 C ATOM 701 NH1 ARG A 43 -1.942 -19.966 5.041 1.00 0.00 N ATOM 702 NH2 ARG A 43 0.015 -19.098 5.884 1.00 0.00 N ATOM 0 H ARG A 43 -0.975 -13.897 3.546 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.712 -14.121 2.719 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.028 -15.606 4.742 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.700 -16.003 4.400 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -3.104 -16.361 1.996 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.429 -16.014 2.374 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.069 -18.274 3.586 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.901 -18.455 2.292 1.00 0.00 H new ATOM 0 HE ARG A 43 -0.343 -17.305 4.190 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.723 -19.913 4.387 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -1.884 -20.739 5.704 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.737 -18.378 5.878 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.072 -19.872 6.546 1.00 0.00 H new ATOM 716 N MET A 44 -2.986 -12.684 5.530 1.00 0.00 N ATOM 717 CA MET A 44 -3.507 -11.732 6.491 1.00 0.00 C ATOM 718 C MET A 44 -2.987 -10.357 6.120 1.00 0.00 C ATOM 719 O MET A 44 -1.775 -10.156 6.024 1.00 0.00 O ATOM 720 CB MET A 44 -3.096 -12.094 7.921 1.00 0.00 C ATOM 721 CG MET A 44 -3.751 -13.362 8.442 1.00 0.00 C ATOM 722 SD MET A 44 -3.354 -13.689 10.171 1.00 0.00 S ATOM 723 CE MET A 44 -4.299 -15.184 10.451 1.00 0.00 C ATOM 0 H MET A 44 -1.969 -12.763 5.530 1.00 0.00 H new ATOM 0 HA MET A 44 -4.596 -11.747 6.462 1.00 0.00 H new ATOM 0 HB2 MET A 44 -2.013 -12.213 7.959 1.00 0.00 H new ATOM 0 HB3 MET A 44 -3.350 -11.266 8.583 1.00 0.00 H new ATOM 0 HG2 MET A 44 -4.832 -13.280 8.331 1.00 0.00 H new ATOM 0 HG3 MET A 44 -3.431 -14.208 7.834 1.00 0.00 H new ATOM 0 HE1 MET A 44 -4.159 -15.516 11.480 1.00 0.00 H new ATOM 0 HE2 MET A 44 -5.356 -14.985 10.275 1.00 0.00 H new ATOM 0 HE3 MET A 44 -3.958 -15.963 9.769 1.00 0.00 H new ATOM 733 N GLY A 45 -3.897 -9.422 5.893 1.00 0.00 N ATOM 734 CA GLY A 45 -3.517 -8.111 5.403 1.00 0.00 C ATOM 735 C GLY A 45 -2.875 -7.234 6.458 1.00 0.00 C ATOM 736 O GLY A 45 -3.318 -6.112 6.688 1.00 0.00 O ATOM 0 H GLY A 45 -4.898 -9.548 6.040 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.824 -8.230 4.570 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.401 -7.608 5.012 1.00 0.00 H new ATOM 740 N ARG A 46 -1.844 -7.752 7.109 1.00 0.00 N ATOM 741 CA ARG A 46 -1.042 -6.966 8.033 1.00 0.00 C ATOM 742 C ARG A 46 0.298 -6.660 7.374 1.00 0.00 C ATOM 743 O ARG A 46 1.080 -5.845 7.851 1.00 0.00 O ATOM 744 CB ARG A 46 -0.849 -7.719 9.356 1.00 0.00 C ATOM 745 CG ARG A 46 -0.139 -6.903 10.431 1.00 0.00 C ATOM 746 CD ARG A 46 -0.044 -7.657 11.748 1.00 0.00 C ATOM 747 NE ARG A 46 0.630 -8.945 11.600 1.00 0.00 N ATOM 748 CZ ARG A 46 1.898 -9.170 11.942 1.00 0.00 C ATOM 749 NH1 ARG A 46 2.641 -8.197 12.455 1.00 0.00 N ATOM 750 NH2 ARG A 46 2.420 -10.379 11.781 1.00 0.00 N ATOM 0 H ARG A 46 -1.542 -8.721 7.013 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.552 -6.031 8.264 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.824 -8.028 9.733 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.278 -8.628 9.166 1.00 0.00 H new ATOM 0 HG2 ARG A 46 0.863 -6.645 10.088 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.674 -5.966 10.587 1.00 0.00 H new ATOM 0 HD2 ARG A 46 0.494 -7.049 12.475 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -1.046 -7.817 12.146 1.00 0.00 H new ATOM 0 HE ARG A 46 0.096 -9.721 11.210 1.00 0.00 H new ATOM 0 HH11 ARG A 46 2.242 -7.268 12.590 1.00 0.00 H new ATOM 0 HH12 ARG A 46 3.611 -8.378 12.714 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.851 -11.133 11.396 1.00 0.00 H new ATOM 0 HH22 ARG A 46 3.390 -10.554 12.042 1.00 0.00 H new ATOM 764 N THR A 47 0.528 -7.315 6.246 1.00 0.00 N ATOM 765 CA THR A 47 1.722 -7.123 5.452 1.00 0.00 C ATOM 766 C THR A 47 1.312 -7.082 3.990 1.00 0.00 C ATOM 767 O THR A 47 1.307 -8.104 3.316 1.00 0.00 O ATOM 768 CB THR A 47 2.756 -8.262 5.646 1.00 0.00 C ATOM 769 OG1 THR A 47 2.173 -9.523 5.289 1.00 0.00 O ATOM 770 CG2 THR A 47 3.252 -8.345 7.079 1.00 0.00 C ATOM 0 H THR A 47 -0.119 -8.001 5.856 1.00 0.00 H new ATOM 0 HA THR A 47 2.195 -6.194 5.771 1.00 0.00 H new ATOM 0 HB THR A 47 3.604 -8.036 4.999 1.00 0.00 H new ATOM 0 HG1 THR A 47 1.760 -9.453 4.403 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.974 -9.157 7.168 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.728 -7.404 7.354 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.410 -8.534 7.745 1.00 0.00 H new ATOM 778 N ALA A 48 0.980 -5.910 3.494 1.00 0.00 N ATOM 779 CA ALA A 48 0.387 -5.812 2.165 1.00 0.00 C ATOM 780 C ALA A 48 0.510 -4.411 1.586 1.00 0.00 C ATOM 781 O ALA A 48 0.804 -4.263 0.405 1.00 0.00 O ATOM 782 CB ALA A 48 -1.081 -6.227 2.224 1.00 0.00 C ATOM 0 H ALA A 48 1.105 -5.020 3.977 1.00 0.00 H new ATOM 0 HA ALA A 48 0.936 -6.486 1.507 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.520 -6.152 1.229 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.154 -7.256 2.577 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.618 -5.570 2.908 1.00 0.00 H new ATOM 788 N LEU A 49 0.314 -3.381 2.394 1.00 0.00 N ATOM 789 CA LEU A 49 0.550 -2.029 1.908 1.00 0.00 C ATOM 790 C LEU A 49 1.983 -1.634 2.209 1.00 0.00 C ATOM 791 O LEU A 49 2.294 -1.119 3.286 1.00 0.00 O ATOM 792 CB LEU A 49 -0.420 -1.008 2.510 1.00 0.00 C ATOM 793 CG LEU A 49 -0.265 0.407 1.937 1.00 0.00 C ATOM 794 CD1 LEU A 49 -0.520 0.404 0.437 1.00 0.00 C ATOM 795 CD2 LEU A 49 -1.199 1.385 2.626 1.00 0.00 C ATOM 0 H LEU A 49 0.001 -3.449 3.362 1.00 0.00 H new ATOM 0 HA LEU A 49 0.376 -2.027 0.832 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.442 -1.348 2.341 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.270 -0.971 3.589 1.00 0.00 H new ATOM 0 HG LEU A 49 0.759 0.731 2.121 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.406 1.415 0.047 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.196 -0.257 -0.052 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.533 0.051 0.241 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.066 2.379 2.198 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.231 1.064 2.484 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.972 1.416 3.692 1.00 0.00 H new ATOM 807 N ILE A 50 2.862 -1.920 1.274 1.00 0.00 N ATOM 808 CA ILE A 50 4.273 -1.679 1.468 1.00 0.00 C ATOM 809 C ILE A 50 4.714 -0.431 0.721 1.00 0.00 C ATOM 810 O ILE A 50 4.816 -0.421 -0.503 1.00 0.00 O ATOM 811 CB ILE A 50 5.092 -2.906 1.031 1.00 0.00 C ATOM 812 CG1 ILE A 50 4.612 -4.139 1.808 1.00 0.00 C ATOM 813 CG2 ILE A 50 6.569 -2.661 1.266 1.00 0.00 C ATOM 814 CD1 ILE A 50 5.193 -5.445 1.325 1.00 0.00 C ATOM 0 H ILE A 50 2.622 -2.322 0.368 1.00 0.00 H new ATOM 0 HA ILE A 50 4.453 -1.512 2.530 1.00 0.00 H new ATOM 0 HB ILE A 50 4.946 -3.081 -0.035 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.864 -4.011 2.861 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.525 -4.193 1.744 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.137 -3.537 0.953 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.890 -1.794 0.689 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.743 -2.476 2.326 1.00 0.00 H new ATOM 0 HD11 ILE A 50 4.801 -6.263 1.929 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.920 -5.601 0.281 1.00 0.00 H new ATOM 0 HD13 ILE A 50 6.279 -5.416 1.415 1.00 0.00 H new ATOM 826 N ILE A 51 4.964 0.626 1.477 1.00 0.00 N ATOM 827 CA ILE A 51 5.245 1.927 0.901 1.00 0.00 C ATOM 828 C ILE A 51 6.735 2.101 0.640 1.00 0.00 C ATOM 829 O ILE A 51 7.561 1.340 1.156 1.00 0.00 O ATOM 830 CB ILE A 51 4.761 3.074 1.819 1.00 0.00 C ATOM 831 CG1 ILE A 51 5.621 3.154 3.085 1.00 0.00 C ATOM 832 CG2 ILE A 51 3.291 2.882 2.181 1.00 0.00 C ATOM 833 CD1 ILE A 51 5.267 4.320 3.985 1.00 0.00 C ATOM 0 H ILE A 51 4.978 0.606 2.497 1.00 0.00 H new ATOM 0 HA ILE A 51 4.701 1.975 -0.043 1.00 0.00 H new ATOM 0 HB ILE A 51 4.864 4.014 1.277 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.513 2.226 3.647 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.670 3.233 2.798 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.966 3.697 2.827 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.690 2.878 1.272 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.166 1.933 2.703 1.00 0.00 H new ATOM 0 HD11 ILE A 51 5.916 4.314 4.861 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.402 5.254 3.440 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.228 4.232 4.302 1.00 0.00 H new ATOM 845 N HIS A 52 7.050 3.101 -0.174 1.00 0.00 N ATOM 846 CA HIS A 52 8.424 3.476 -0.479 1.00 0.00 C ATOM 847 C HIS A 52 9.157 3.956 0.779 1.00 0.00 C ATOM 848 O HIS A 52 8.803 4.992 1.348 1.00 0.00 O ATOM 849 CB HIS A 52 8.418 4.581 -1.553 1.00 0.00 C ATOM 850 CG HIS A 52 9.772 5.131 -1.905 1.00 0.00 C ATOM 851 ND1 HIS A 52 10.503 5.917 -1.047 1.00 0.00 N ATOM 852 CD2 HIS A 52 10.510 5.033 -3.037 1.00 0.00 C ATOM 853 CE1 HIS A 52 11.626 6.285 -1.630 1.00 0.00 C ATOM 854 NE2 HIS A 52 11.661 5.761 -2.843 1.00 0.00 N ATOM 0 H HIS A 52 6.353 3.679 -0.644 1.00 0.00 H new ATOM 0 HA HIS A 52 8.955 2.602 -0.856 1.00 0.00 H new ATOM 0 HB2 HIS A 52 7.957 4.185 -2.458 1.00 0.00 H new ATOM 0 HB3 HIS A 52 7.788 5.400 -1.206 1.00 0.00 H new ATOM 0 HD2 HIS A 52 10.244 4.484 -3.928 1.00 0.00 H new ATOM 0 HE1 HIS A 52 12.390 6.910 -1.191 1.00 0.00 H new ATOM 0 HE2 HIS A 52 12.414 5.877 -3.521 1.00 0.00 H new ATOM 863 N PRO A 53 10.181 3.197 1.230 1.00 0.00 N ATOM 864 CA PRO A 53 11.033 3.572 2.364 1.00 0.00 C ATOM 865 C PRO A 53 11.523 5.003 2.292 1.00 0.00 C ATOM 866 O PRO A 53 12.479 5.282 1.562 1.00 0.00 O ATOM 867 CB PRO A 53 12.256 2.680 2.237 1.00 0.00 C ATOM 868 CG PRO A 53 12.006 1.750 1.088 1.00 0.00 C ATOM 869 CD PRO A 53 10.562 1.887 0.698 1.00 0.00 C ATOM 0 HA PRO A 53 10.471 3.467 3.292 1.00 0.00 H new ATOM 0 HB2 PRO A 53 13.151 3.277 2.062 1.00 0.00 H new ATOM 0 HB3 PRO A 53 12.421 2.120 3.157 1.00 0.00 H new ATOM 0 HG2 PRO A 53 12.655 1.997 0.248 1.00 0.00 H new ATOM 0 HG3 PRO A 53 12.230 0.722 1.372 1.00 0.00 H new ATOM 0 HD2 PRO A 53 10.433 1.841 -0.383 1.00 0.00 H new ATOM 0 HD3 PRO A 53 9.954 1.089 1.125 1.00 0.00 H new ATOM 877 N ARG A 54 10.875 5.882 3.054 1.00 0.00 N ATOM 878 CA ARG A 54 11.212 7.303 3.108 1.00 0.00 C ATOM 879 C ARG A 54 10.014 8.070 3.659 1.00 0.00 C ATOM 880 O ARG A 54 10.147 9.185 4.158 1.00 0.00 O ATOM 881 CB ARG A 54 11.628 7.821 1.721 1.00 0.00 C ATOM 882 CG ARG A 54 10.503 8.370 0.857 1.00 0.00 C ATOM 883 CD ARG A 54 10.374 9.870 1.017 1.00 0.00 C ATOM 884 NE ARG A 54 11.624 10.556 0.700 1.00 0.00 N ATOM 885 CZ ARG A 54 12.095 11.593 1.392 1.00 0.00 C ATOM 886 NH1 ARG A 54 11.371 12.123 2.370 1.00 0.00 N ATOM 887 NH2 ARG A 54 13.278 12.108 1.094 1.00 0.00 N ATOM 0 H ARG A 54 10.094 5.625 3.657 1.00 0.00 H new ATOM 0 HA ARG A 54 12.065 7.455 3.769 1.00 0.00 H new ATOM 0 HB2 ARG A 54 12.374 8.604 1.855 1.00 0.00 H new ATOM 0 HB3 ARG A 54 12.113 7.008 1.180 1.00 0.00 H new ATOM 0 HG2 ARG A 54 10.692 8.128 -0.189 1.00 0.00 H new ATOM 0 HG3 ARG A 54 9.563 7.890 1.130 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.581 10.239 0.366 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.080 10.103 2.040 1.00 0.00 H new ATOM 0 HE ARG A 54 12.167 10.222 -0.096 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.454 11.737 2.592 1.00 0.00 H new ATOM 0 HH12 ARG A 54 11.732 12.917 2.899 1.00 0.00 H new ATOM 0 HH21 ARG A 54 13.830 11.711 0.334 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.637 12.902 1.625 1.00 0.00 H new ATOM 901 N LEU A 55 8.842 7.446 3.567 1.00 0.00 N ATOM 902 CA LEU A 55 7.615 8.011 4.118 1.00 0.00 C ATOM 903 C LEU A 55 7.320 7.445 5.499 1.00 0.00 C ATOM 904 O LEU A 55 6.194 7.541 5.982 1.00 0.00 O ATOM 905 CB LEU A 55 6.433 7.724 3.191 1.00 0.00 C ATOM 906 CG LEU A 55 6.178 8.785 2.127 1.00 0.00 C ATOM 907 CD1 LEU A 55 5.138 8.303 1.126 1.00 0.00 C ATOM 908 CD2 LEU A 55 5.718 10.072 2.795 1.00 0.00 C ATOM 0 H LEU A 55 8.717 6.542 3.112 1.00 0.00 H new ATOM 0 HA LEU A 55 7.758 9.088 4.205 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.602 6.768 2.696 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.533 7.615 3.797 1.00 0.00 H new ATOM 0 HG LEU A 55 7.104 8.974 1.584 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.971 9.075 0.375 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.495 7.395 0.640 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.203 8.093 1.645 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.535 10.831 2.035 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.798 9.885 3.350 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.490 10.423 3.480 1.00 0.00 H new ATOM 920 N LYS A 56 8.335 6.873 6.135 1.00 0.00 N ATOM 921 CA LYS A 56 8.157 6.218 7.426 1.00 0.00 C ATOM 922 C LYS A 56 7.646 7.207 8.473 1.00 0.00 C ATOM 923 O LYS A 56 6.725 6.899 9.223 1.00 0.00 O ATOM 924 CB LYS A 56 9.470 5.585 7.892 1.00 0.00 C ATOM 925 CG LYS A 56 9.285 4.542 8.984 1.00 0.00 C ATOM 926 CD LYS A 56 10.603 3.878 9.352 1.00 0.00 C ATOM 927 CE LYS A 56 10.382 2.652 10.225 1.00 0.00 C ATOM 928 NZ LYS A 56 11.659 2.029 10.657 1.00 0.00 N ATOM 0 H LYS A 56 9.290 6.849 5.778 1.00 0.00 H new ATOM 0 HA LYS A 56 7.413 5.431 7.306 1.00 0.00 H new ATOM 0 HB2 LYS A 56 9.965 5.122 7.038 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.133 6.369 8.258 1.00 0.00 H new ATOM 0 HG2 LYS A 56 8.854 5.012 9.868 1.00 0.00 H new ATOM 0 HG3 LYS A 56 8.576 3.785 8.649 1.00 0.00 H new ATOM 0 HD2 LYS A 56 11.133 3.589 8.444 1.00 0.00 H new ATOM 0 HD3 LYS A 56 11.237 4.592 9.878 1.00 0.00 H new ATOM 0 HE2 LYS A 56 9.803 2.935 11.104 1.00 0.00 H new ATOM 0 HE3 LYS A 56 9.791 1.919 9.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 11.461 1.261 11.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 12.155 1.643 9.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 12.257 2.746 11.116 1.00 0.00 H new ATOM 942 N ASP A 57 8.244 8.394 8.500 1.00 0.00 N ATOM 943 CA ASP A 57 7.845 9.448 9.435 1.00 0.00 C ATOM 944 C ASP A 57 6.380 9.834 9.239 1.00 0.00 C ATOM 945 O ASP A 57 5.580 9.780 10.174 1.00 0.00 O ATOM 946 CB ASP A 57 8.740 10.675 9.249 1.00 0.00 C ATOM 947 CG ASP A 57 8.298 11.858 10.086 1.00 0.00 C ATOM 948 OD1 ASP A 57 8.443 11.805 11.324 1.00 0.00 O ATOM 949 OD2 ASP A 57 7.812 12.854 9.508 1.00 0.00 O ATOM 0 H ASP A 57 9.012 8.654 7.882 1.00 0.00 H new ATOM 0 HA ASP A 57 7.961 9.066 10.449 1.00 0.00 H new ATOM 0 HB2 ASP A 57 9.765 10.414 9.511 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.742 10.961 8.197 1.00 0.00 H new ATOM 954 N ARG A 58 6.039 10.201 8.010 1.00 0.00 N ATOM 955 CA ARG A 58 4.677 10.589 7.659 1.00 0.00 C ATOM 956 C ARG A 58 3.693 9.462 7.975 1.00 0.00 C ATOM 957 O ARG A 58 2.650 9.681 8.592 1.00 0.00 O ATOM 958 CB ARG A 58 4.619 10.936 6.167 1.00 0.00 C ATOM 959 CG ARG A 58 3.233 11.286 5.644 1.00 0.00 C ATOM 960 CD ARG A 58 2.742 12.624 6.166 1.00 0.00 C ATOM 961 NE ARG A 58 1.531 13.054 5.471 1.00 0.00 N ATOM 962 CZ ARG A 58 1.452 14.152 4.717 1.00 0.00 C ATOM 963 NH1 ARG A 58 2.492 14.974 4.614 1.00 0.00 N ATOM 964 NH2 ARG A 58 0.321 14.432 4.082 1.00 0.00 N ATOM 0 H ARG A 58 6.696 10.238 7.230 1.00 0.00 H new ATOM 0 HA ARG A 58 4.394 11.460 8.249 1.00 0.00 H new ATOM 0 HB2 ARG A 58 5.286 11.777 5.978 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.004 10.090 5.597 1.00 0.00 H new ATOM 0 HG2 ARG A 58 3.253 11.309 4.554 1.00 0.00 H new ATOM 0 HG3 ARG A 58 2.530 10.505 5.934 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.543 12.549 7.235 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.522 13.374 6.039 1.00 0.00 H new ATOM 0 HE ARG A 58 0.694 12.479 5.568 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.357 14.767 5.113 1.00 0.00 H new ATOM 0 HH12 ARG A 58 2.425 15.812 4.036 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -0.482 13.809 4.172 1.00 0.00 H new ATOM 0 HH22 ARG A 58 0.255 15.270 3.504 1.00 0.00 H new ATOM 978 N SER A 59 4.042 8.258 7.548 1.00 0.00 N ATOM 979 CA SER A 59 3.207 7.086 7.753 1.00 0.00 C ATOM 980 C SER A 59 2.975 6.793 9.239 1.00 0.00 C ATOM 981 O SER A 59 1.858 6.465 9.631 1.00 0.00 O ATOM 982 CB SER A 59 3.837 5.882 7.043 1.00 0.00 C ATOM 983 OG SER A 59 3.259 4.655 7.462 1.00 0.00 O ATOM 0 H SER A 59 4.911 8.067 7.050 1.00 0.00 H new ATOM 0 HA SER A 59 2.226 7.286 7.323 1.00 0.00 H new ATOM 0 HB2 SER A 59 3.714 5.991 5.966 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.909 5.864 7.241 1.00 0.00 H new ATOM 0 HG SER A 59 3.679 3.914 6.978 1.00 0.00 H new ATOM 989 N SER A 60 4.019 6.921 10.057 1.00 0.00 N ATOM 990 CA SER A 60 3.928 6.602 11.488 1.00 0.00 C ATOM 991 C SER A 60 2.890 7.471 12.206 1.00 0.00 C ATOM 992 O SER A 60 2.392 7.104 13.272 1.00 0.00 O ATOM 993 CB SER A 60 5.295 6.763 12.158 1.00 0.00 C ATOM 994 OG SER A 60 6.253 5.883 11.594 1.00 0.00 O ATOM 0 H SER A 60 4.939 7.243 9.757 1.00 0.00 H new ATOM 0 HA SER A 60 3.604 5.564 11.567 1.00 0.00 H new ATOM 0 HB2 SER A 60 5.636 7.793 12.050 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.204 6.568 13.227 1.00 0.00 H new ATOM 0 HG SER A 60 6.572 6.249 10.743 1.00 0.00 H new ATOM 1000 N SER A 61 2.558 8.611 11.616 1.00 0.00 N ATOM 1001 CA SER A 61 1.598 9.528 12.215 1.00 0.00 C ATOM 1002 C SER A 61 0.161 9.076 11.941 1.00 0.00 C ATOM 1003 O SER A 61 -0.789 9.621 12.505 1.00 0.00 O ATOM 1004 CB SER A 61 1.822 10.943 11.669 1.00 0.00 C ATOM 1005 OG SER A 61 0.899 11.871 12.221 1.00 0.00 O ATOM 0 H SER A 61 2.939 8.923 10.723 1.00 0.00 H new ATOM 0 HA SER A 61 1.750 9.530 13.294 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.839 11.263 11.895 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.724 10.934 10.583 1.00 0.00 H new ATOM 0 HG SER A 61 0.095 11.396 12.517 1.00 0.00 H new ATOM 1011 N LEU A 62 0.007 8.073 11.087 1.00 0.00 N ATOM 1012 CA LEU A 62 -1.312 7.620 10.675 1.00 0.00 C ATOM 1013 C LEU A 62 -1.442 6.108 10.811 1.00 0.00 C ATOM 1014 O LEU A 62 -2.291 5.608 11.550 1.00 0.00 O ATOM 1015 CB LEU A 62 -1.571 8.039 9.228 1.00 0.00 C ATOM 1016 CG LEU A 62 -1.638 9.548 8.994 1.00 0.00 C ATOM 1017 CD1 LEU A 62 -1.715 9.847 7.511 1.00 0.00 C ATOM 1018 CD2 LEU A 62 -2.836 10.146 9.717 1.00 0.00 C ATOM 0 H LEU A 62 0.781 7.558 10.667 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.053 8.082 11.327 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.784 7.624 8.599 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.510 7.594 8.899 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.731 10.001 9.395 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.762 10.925 7.359 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.831 9.449 7.013 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.607 9.382 7.092 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.869 11.221 9.540 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.752 9.689 9.343 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.747 9.957 10.787 1.00 0.00 H new ATOM 1030 N ALA A 63 -0.590 5.388 10.104 1.00 0.00 N ATOM 1031 CA ALA A 63 -0.623 3.939 10.109 1.00 0.00 C ATOM 1032 C ALA A 63 0.760 3.384 10.398 1.00 0.00 C ATOM 1033 O ALA A 63 1.668 3.483 9.565 1.00 0.00 O ATOM 1034 CB ALA A 63 -1.143 3.413 8.780 1.00 0.00 C ATOM 0 H ALA A 63 0.139 5.789 9.514 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.301 3.609 10.896 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.161 2.323 8.802 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.152 3.789 8.609 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.490 3.749 7.975 1.00 0.00 H new ATOM 1040 N ASP A 64 0.919 2.825 11.585 1.00 0.00 N ATOM 1041 CA ASP A 64 2.192 2.258 12.012 1.00 0.00 C ATOM 1042 C ASP A 64 2.540 1.025 11.187 1.00 0.00 C ATOM 1043 O ASP A 64 1.654 0.270 10.783 1.00 0.00 O ATOM 1044 CB ASP A 64 2.144 1.883 13.496 1.00 0.00 C ATOM 1045 CG ASP A 64 2.217 3.085 14.414 1.00 0.00 C ATOM 1046 OD1 ASP A 64 1.220 3.831 14.515 1.00 0.00 O ATOM 1047 OD2 ASP A 64 3.269 3.280 15.057 1.00 0.00 O ATOM 0 H ASP A 64 0.175 2.750 12.279 1.00 0.00 H new ATOM 0 HA ASP A 64 2.962 3.015 11.859 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.223 1.335 13.697 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.971 1.210 13.722 1.00 0.00 H new ATOM 1052 N PRO A 65 3.835 0.819 10.907 1.00 0.00 N ATOM 1053 CA PRO A 65 4.308 -0.372 10.199 1.00 0.00 C ATOM 1054 C PRO A 65 4.053 -1.641 11.006 1.00 0.00 C ATOM 1055 O PRO A 65 4.042 -1.611 12.240 1.00 0.00 O ATOM 1056 CB PRO A 65 5.817 -0.131 10.037 1.00 0.00 C ATOM 1057 CG PRO A 65 6.011 1.327 10.281 1.00 0.00 C ATOM 1058 CD PRO A 65 4.938 1.730 11.248 1.00 0.00 C ATOM 0 HA PRO A 65 3.793 -0.517 9.249 1.00 0.00 H new ATOM 0 HB2 PRO A 65 6.389 -0.728 10.747 1.00 0.00 H new ATOM 0 HB3 PRO A 65 6.155 -0.411 9.039 1.00 0.00 H new ATOM 0 HG2 PRO A 65 7.001 1.526 10.692 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.932 1.892 9.352 1.00 0.00 H new ATOM 0 HD2 PRO A 65 5.259 1.608 12.283 1.00 0.00 H new ATOM 0 HD3 PRO A 65 4.653 2.775 11.124 1.00 0.00 H new ATOM 1066 N ALA A 66 3.827 -2.748 10.315 1.00 0.00 N ATOM 1067 CA ALA A 66 3.590 -4.016 10.987 1.00 0.00 C ATOM 1068 C ALA A 66 4.886 -4.553 11.577 1.00 0.00 C ATOM 1069 O ALA A 66 5.044 -4.636 12.794 1.00 0.00 O ATOM 1070 CB ALA A 66 2.990 -5.023 10.023 1.00 0.00 C ATOM 0 H ALA A 66 3.803 -2.794 9.296 1.00 0.00 H new ATOM 0 HA ALA A 66 2.882 -3.851 11.799 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.819 -5.966 10.542 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.043 -4.642 9.641 1.00 0.00 H new ATOM 0 HB3 ALA A 66 3.677 -5.185 9.192 1.00 0.00 H new ATOM 1076 N SER A 67 5.810 -4.907 10.703 1.00 0.00 N ATOM 1077 CA SER A 67 7.105 -5.393 11.113 1.00 0.00 C ATOM 1078 C SER A 67 8.038 -4.230 11.379 1.00 0.00 C ATOM 1079 O SER A 67 8.300 -3.837 12.516 1.00 0.00 O ATOM 1080 CB SER A 67 7.635 -6.343 10.026 1.00 0.00 C ATOM 1081 OG SER A 67 7.640 -5.725 8.749 1.00 0.00 O ATOM 0 H SER A 67 5.680 -4.864 9.692 1.00 0.00 H new ATOM 0 HA SER A 67 7.033 -5.951 12.047 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.646 -6.661 10.281 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.018 -7.241 9.994 1.00 0.00 H new ATOM 0 HG SER A 67 8.536 -5.792 8.357 1.00 0.00 H new ATOM 1087 N ASP A 68 8.484 -3.709 10.294 1.00 0.00 N ATOM 1088 CA ASP A 68 9.310 -2.508 10.213 1.00 0.00 C ATOM 1089 C ASP A 68 9.632 -2.261 8.756 1.00 0.00 C ATOM 1090 O ASP A 68 9.256 -1.248 8.168 1.00 0.00 O ATOM 1091 CB ASP A 68 10.616 -2.667 10.992 1.00 0.00 C ATOM 1092 CG ASP A 68 11.454 -1.400 10.977 1.00 0.00 C ATOM 1093 OD1 ASP A 68 11.051 -0.401 11.609 1.00 0.00 O ATOM 1094 OD2 ASP A 68 12.518 -1.398 10.322 1.00 0.00 O ATOM 0 H ASP A 68 8.286 -4.112 9.378 1.00 0.00 H new ATOM 0 HA ASP A 68 8.762 -1.673 10.649 1.00 0.00 H new ATOM 0 HB2 ASP A 68 10.391 -2.939 12.023 1.00 0.00 H new ATOM 0 HB3 ASP A 68 11.194 -3.487 10.565 1.00 0.00 H new ATOM 1099 N ILE A 69 10.318 -3.234 8.188 1.00 0.00 N ATOM 1100 CA ILE A 69 10.641 -3.265 6.778 1.00 0.00 C ATOM 1101 C ILE A 69 10.471 -4.689 6.267 1.00 0.00 C ATOM 1102 O ILE A 69 10.261 -5.609 7.060 1.00 0.00 O ATOM 1103 CB ILE A 69 12.085 -2.787 6.511 1.00 0.00 C ATOM 1104 CG1 ILE A 69 13.026 -3.281 7.619 1.00 0.00 C ATOM 1105 CG2 ILE A 69 12.131 -1.270 6.404 1.00 0.00 C ATOM 1106 CD1 ILE A 69 14.496 -3.130 7.283 1.00 0.00 C ATOM 0 H ILE A 69 10.672 -4.039 8.705 1.00 0.00 H new ATOM 0 HA ILE A 69 9.967 -2.586 6.255 1.00 0.00 H new ATOM 0 HB ILE A 69 12.421 -3.208 5.563 1.00 0.00 H new ATOM 0 HG12 ILE A 69 12.814 -2.731 8.536 1.00 0.00 H new ATOM 0 HG13 ILE A 69 12.815 -4.331 7.821 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.156 -0.949 6.216 1.00 0.00 H new ATOM 0 HG22 ILE A 69 11.492 -0.944 5.583 1.00 0.00 H new ATOM 0 HG23 ILE A 69 11.778 -0.829 7.336 1.00 0.00 H new ATOM 0 HD11 ILE A 69 15.099 -3.500 8.112 1.00 0.00 H new ATOM 0 HD12 ILE A 69 14.725 -3.703 6.384 1.00 0.00 H new ATOM 0 HD13 ILE A 69 14.724 -2.078 7.110 1.00 0.00 H new ATOM 1118 N LYS A 70 10.536 -4.873 4.962 1.00 0.00 N ATOM 1119 CA LYS A 70 10.400 -6.200 4.383 1.00 0.00 C ATOM 1120 C LYS A 70 11.340 -6.354 3.197 1.00 0.00 C ATOM 1121 O LYS A 70 11.103 -5.781 2.133 1.00 0.00 O ATOM 1122 CB LYS A 70 8.948 -6.447 3.954 1.00 0.00 C ATOM 1123 CG LYS A 70 8.647 -7.893 3.591 1.00 0.00 C ATOM 1124 CD LYS A 70 7.172 -8.087 3.272 1.00 0.00 C ATOM 1125 CE LYS A 70 6.843 -9.545 2.982 1.00 0.00 C ATOM 1126 NZ LYS A 70 7.570 -10.053 1.788 1.00 0.00 N ATOM 0 H LYS A 70 10.681 -4.125 4.284 1.00 0.00 H new ATOM 0 HA LYS A 70 10.668 -6.941 5.136 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.284 -6.140 4.762 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.720 -5.813 3.097 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.249 -8.187 2.731 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.931 -8.544 4.417 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.570 -7.739 4.111 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.903 -7.475 2.411 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.099 -10.154 3.849 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.770 -9.650 2.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.161 -10.963 1.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.483 -9.367 1.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.574 -10.185 2.023 1.00 0.00 H new ATOM 1140 N THR A 71 12.419 -7.097 3.398 1.00 0.00 N ATOM 1141 CA THR A 71 13.380 -7.348 2.340 1.00 0.00 C ATOM 1142 C THR A 71 12.913 -8.488 1.446 1.00 0.00 C ATOM 1143 O THR A 71 12.558 -9.562 1.934 1.00 0.00 O ATOM 1144 CB THR A 71 14.768 -7.680 2.921 1.00 0.00 C ATOM 1145 OG1 THR A 71 14.635 -8.554 4.052 1.00 0.00 O ATOM 1146 CG2 THR A 71 15.498 -6.414 3.339 1.00 0.00 C ATOM 0 H THR A 71 12.649 -7.537 4.289 1.00 0.00 H new ATOM 0 HA THR A 71 13.458 -6.439 1.744 1.00 0.00 H new ATOM 0 HB THR A 71 15.349 -8.178 2.145 1.00 0.00 H new ATOM 0 HG1 THR A 71 15.523 -8.760 4.412 1.00 0.00 H new ATOM 0 HG21 THR A 71 16.475 -6.675 3.746 1.00 0.00 H new ATOM 0 HG22 THR A 71 15.627 -5.766 2.472 1.00 0.00 H new ATOM 0 HG23 THR A 71 14.916 -5.892 4.099 1.00 0.00 H new ATOM 1154 N CYS A 72 12.899 -8.239 0.144 1.00 0.00 N ATOM 1155 CA CYS A 72 12.458 -9.225 -0.833 1.00 0.00 C ATOM 1156 C CYS A 72 12.636 -8.671 -2.240 1.00 0.00 C ATOM 1157 O CYS A 72 12.529 -7.462 -2.455 1.00 0.00 O ATOM 1158 CB CYS A 72 10.991 -9.597 -0.600 1.00 0.00 C ATOM 1159 SG CYS A 72 10.328 -10.792 -1.779 1.00 0.00 S ATOM 0 H CYS A 72 13.192 -7.351 -0.264 1.00 0.00 H new ATOM 0 HA CYS A 72 13.064 -10.124 -0.719 1.00 0.00 H new ATOM 0 HB2 CYS A 72 10.887 -10.002 0.407 1.00 0.00 H new ATOM 0 HB3 CYS A 72 10.388 -8.690 -0.642 1.00 0.00 H new ATOM 0 HG CYS A 72 9.084 -11.039 -1.493 1.00 0.00 H new ATOM 1165 N ASP A 73 12.892 -9.552 -3.200 1.00 0.00 N ATOM 1166 CA ASP A 73 13.161 -9.125 -4.566 1.00 0.00 C ATOM 1167 C ASP A 73 11.866 -8.825 -5.322 1.00 0.00 C ATOM 1168 O ASP A 73 11.498 -9.522 -6.262 1.00 0.00 O ATOM 1169 CB ASP A 73 13.987 -10.172 -5.319 1.00 0.00 C ATOM 1170 CG ASP A 73 14.445 -9.660 -6.666 1.00 0.00 C ATOM 1171 OD1 ASP A 73 14.651 -8.434 -6.794 1.00 0.00 O ATOM 1172 OD2 ASP A 73 14.596 -10.471 -7.602 1.00 0.00 O ATOM 0 H ASP A 73 12.919 -10.562 -3.058 1.00 0.00 H new ATOM 0 HA ASP A 73 13.742 -8.204 -4.509 1.00 0.00 H new ATOM 0 HB2 ASP A 73 14.855 -10.450 -4.721 1.00 0.00 H new ATOM 0 HB3 ASP A 73 13.392 -11.075 -5.456 1.00 0.00 H new ATOM 1177 N HIS A 74 11.161 -7.805 -4.859 1.00 0.00 N ATOM 1178 CA HIS A 74 9.976 -7.291 -5.543 1.00 0.00 C ATOM 1179 C HIS A 74 9.874 -5.796 -5.279 1.00 0.00 C ATOM 1180 O HIS A 74 9.658 -4.997 -6.190 1.00 0.00 O ATOM 1181 CB HIS A 74 8.681 -7.980 -5.072 1.00 0.00 C ATOM 1182 CG HIS A 74 8.566 -9.434 -5.430 1.00 0.00 C ATOM 1183 ND1 HIS A 74 8.952 -10.540 -4.754 1.00 0.00 N flip ATOM 1184 CD2 HIS A 74 7.966 -9.889 -6.588 1.00 0.00 C flip ATOM 1185 CE1 HIS A 74 8.583 -11.627 -5.502 1.00 0.00 C flip ATOM 1186 NE2 HIS A 74 7.990 -11.211 -6.602 1.00 0.00 N flip ATOM 0 H HIS A 74 11.391 -7.307 -3.999 1.00 0.00 H new ATOM 0 HA HIS A 74 10.085 -7.497 -6.608 1.00 0.00 H new ATOM 0 HB2 HIS A 74 8.609 -7.882 -3.989 1.00 0.00 H new ATOM 0 HB3 HIS A 74 7.830 -7.449 -5.498 1.00 0.00 H new ATOM 0 HD1 HIS A 74 9.430 -10.561 -3.853 1.00 0.00 H new ATOM 0 HD2 HIS A 74 7.544 -9.263 -7.360 1.00 0.00 H new ATOM 0 HE1 HIS A 74 8.751 -12.659 -5.233 1.00 0.00 H new ATOM 1195 N TYR A 75 10.060 -5.426 -4.018 1.00 0.00 N ATOM 1196 CA TYR A 75 9.975 -4.033 -3.610 1.00 0.00 C ATOM 1197 C TYR A 75 11.353 -3.393 -3.686 1.00 0.00 C ATOM 1198 O TYR A 75 12.132 -3.478 -2.740 1.00 0.00 O ATOM 1199 CB TYR A 75 9.438 -3.920 -2.177 1.00 0.00 C ATOM 1200 CG TYR A 75 8.714 -5.158 -1.698 1.00 0.00 C ATOM 1201 CD1 TYR A 75 7.454 -5.483 -2.178 1.00 0.00 C ATOM 1202 CD2 TYR A 75 9.298 -6.006 -0.766 1.00 0.00 C ATOM 1203 CE1 TYR A 75 6.795 -6.616 -1.747 1.00 0.00 C ATOM 1204 CE2 TYR A 75 8.645 -7.141 -0.328 1.00 0.00 C ATOM 1205 CZ TYR A 75 7.395 -7.442 -0.821 1.00 0.00 C ATOM 1206 OH TYR A 75 6.746 -8.579 -0.389 1.00 0.00 O ATOM 0 H TYR A 75 10.271 -6.075 -3.260 1.00 0.00 H new ATOM 0 HA TYR A 75 9.290 -3.516 -4.282 1.00 0.00 H new ATOM 0 HB2 TYR A 75 10.269 -3.712 -1.503 1.00 0.00 H new ATOM 0 HB3 TYR A 75 8.760 -3.068 -2.119 1.00 0.00 H new ATOM 0 HD1 TYR A 75 6.980 -4.837 -2.902 1.00 0.00 H new ATOM 0 HD2 TYR A 75 10.279 -5.774 -0.378 1.00 0.00 H new ATOM 0 HE1 TYR A 75 5.815 -6.854 -2.133 1.00 0.00 H new ATOM 0 HE2 TYR A 75 9.112 -7.790 0.398 1.00 0.00 H new ATOM 0 HH TYR A 75 6.167 -8.917 -1.104 1.00 0.00 H new ATOM 1216 N GLN A 76 11.681 -2.794 -4.820 1.00 0.00 N ATOM 1217 CA GLN A 76 12.976 -2.169 -4.975 1.00 0.00 C ATOM 1218 C GLN A 76 12.966 -0.750 -4.420 1.00 0.00 C ATOM 1219 O GLN A 76 13.782 -0.416 -3.558 1.00 0.00 O ATOM 1220 CB GLN A 76 13.415 -2.191 -6.438 1.00 0.00 C ATOM 1221 CG GLN A 76 12.384 -1.646 -7.417 1.00 0.00 C ATOM 1222 CD GLN A 76 12.819 -1.790 -8.862 1.00 0.00 C ATOM 1223 OE1 GLN A 76 13.526 -2.734 -9.219 1.00 0.00 O ATOM 1224 NE2 GLN A 76 12.408 -0.850 -9.697 1.00 0.00 N ATOM 0 H GLN A 76 11.073 -2.730 -5.636 1.00 0.00 H new ATOM 0 HA GLN A 76 13.703 -2.742 -4.400 1.00 0.00 H new ATOM 0 HB2 GLN A 76 14.333 -1.611 -6.537 1.00 0.00 H new ATOM 0 HB3 GLN A 76 13.654 -3.217 -6.717 1.00 0.00 H new ATOM 0 HG2 GLN A 76 11.439 -2.169 -7.272 1.00 0.00 H new ATOM 0 HG3 GLN A 76 12.202 -0.594 -7.199 1.00 0.00 H new ATOM 0 HE21 GLN A 76 11.823 -0.086 -9.357 1.00 0.00 H new ATOM 0 HE22 GLN A 76 12.676 -0.889 -10.681 1.00 0.00 H new ATOM 1233 N ASN A 77 12.019 0.056 -4.894 1.00 0.00 N ATOM 1234 CA ASN A 77 11.873 1.449 -4.473 1.00 0.00 C ATOM 1235 C ASN A 77 13.090 2.288 -4.854 1.00 0.00 C ATOM 1236 O ASN A 77 13.068 3.002 -5.854 1.00 0.00 O ATOM 1237 CB ASN A 77 11.617 1.558 -2.965 1.00 0.00 C ATOM 1238 CG ASN A 77 10.284 0.977 -2.549 1.00 0.00 C ATOM 1239 OD1 ASN A 77 9.257 1.645 -2.638 1.00 0.00 O ATOM 1240 ND2 ASN A 77 10.289 -0.254 -2.061 1.00 0.00 N ATOM 0 H ASN A 77 11.328 -0.239 -5.584 1.00 0.00 H new ATOM 0 HA ASN A 77 11.006 1.843 -5.003 1.00 0.00 H new ATOM 0 HB2 ASN A 77 12.415 1.044 -2.428 1.00 0.00 H new ATOM 0 HB3 ASN A 77 11.658 2.606 -2.670 1.00 0.00 H new ATOM 0 HD21 ASN A 77 9.419 -0.680 -1.743 1.00 0.00 H new ATOM 0 HD22 ASN A 77 11.163 -0.776 -2.004 1.00 0.00 H new ATOM 1247 N PHE A 78 14.146 2.179 -4.059 1.00 0.00 N ATOM 1248 CA PHE A 78 15.340 2.999 -4.232 1.00 0.00 C ATOM 1249 C PHE A 78 16.464 2.601 -3.270 1.00 0.00 C ATOM 1250 O PHE A 78 17.570 2.303 -3.713 1.00 0.00 O ATOM 1251 CB PHE A 78 15.019 4.494 -4.064 1.00 0.00 C ATOM 1252 CG PHE A 78 16.248 5.359 -4.036 1.00 0.00 C ATOM 1253 CD1 PHE A 78 17.006 5.542 -5.178 1.00 0.00 C ATOM 1254 CD2 PHE A 78 16.653 5.971 -2.861 1.00 0.00 C ATOM 1255 CE1 PHE A 78 18.145 6.321 -5.150 1.00 0.00 C ATOM 1256 CE2 PHE A 78 17.792 6.748 -2.828 1.00 0.00 C ATOM 1257 CZ PHE A 78 18.538 6.924 -3.973 1.00 0.00 C ATOM 0 H PHE A 78 14.200 1.523 -3.279 1.00 0.00 H new ATOM 0 HA PHE A 78 15.689 2.821 -5.249 1.00 0.00 H new ATOM 0 HB2 PHE A 78 14.374 4.816 -4.882 1.00 0.00 H new ATOM 0 HB3 PHE A 78 14.459 4.638 -3.140 1.00 0.00 H new ATOM 0 HD1 PHE A 78 16.704 5.070 -6.101 1.00 0.00 H new ATOM 0 HD2 PHE A 78 16.071 5.838 -1.961 1.00 0.00 H new ATOM 0 HE1 PHE A 78 18.728 6.458 -6.049 1.00 0.00 H new ATOM 0 HE2 PHE A 78 18.099 7.218 -1.905 1.00 0.00 H new ATOM 0 HZ PHE A 78 19.429 7.533 -3.949 1.00 0.00 H new ATOM 1267 N PRO A 79 16.198 2.579 -1.944 1.00 0.00 N ATOM 1268 CA PRO A 79 17.254 2.440 -0.923 1.00 0.00 C ATOM 1269 C PRO A 79 18.139 1.216 -1.121 1.00 0.00 C ATOM 1270 O PRO A 79 19.351 1.352 -1.283 1.00 0.00 O ATOM 1271 CB PRO A 79 16.459 2.348 0.381 1.00 0.00 C ATOM 1272 CG PRO A 79 15.201 3.075 0.073 1.00 0.00 C ATOM 1273 CD PRO A 79 14.867 2.687 -1.323 1.00 0.00 C ATOM 0 HA PRO A 79 17.960 3.270 -0.956 1.00 0.00 H new ATOM 0 HB2 PRO A 79 16.266 1.312 0.661 1.00 0.00 H new ATOM 0 HB3 PRO A 79 16.995 2.808 1.211 1.00 0.00 H new ATOM 0 HG2 PRO A 79 14.404 2.795 0.762 1.00 0.00 H new ATOM 0 HG3 PRO A 79 15.336 4.153 0.162 1.00 0.00 H new ATOM 0 HD2 PRO A 79 14.321 1.744 -1.364 1.00 0.00 H new ATOM 0 HD3 PRO A 79 14.247 3.436 -1.816 1.00 0.00 H new ATOM 1281 N LEU A 80 17.522 0.034 -1.115 1.00 0.00 N ATOM 1282 CA LEU A 80 18.241 -1.231 -1.312 1.00 0.00 C ATOM 1283 C LEU A 80 19.168 -1.511 -0.119 1.00 0.00 C ATOM 1284 O LEU A 80 20.124 -0.781 0.132 1.00 0.00 O ATOM 1285 CB LEU A 80 19.023 -1.185 -2.636 1.00 0.00 C ATOM 1286 CG LEU A 80 19.030 -2.474 -3.458 1.00 0.00 C ATOM 1287 CD1 LEU A 80 20.039 -2.379 -4.590 1.00 0.00 C ATOM 1288 CD2 LEU A 80 19.322 -3.671 -2.585 1.00 0.00 C ATOM 0 H LEU A 80 16.518 -0.077 -0.975 1.00 0.00 H new ATOM 0 HA LEU A 80 17.523 -2.049 -1.370 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.608 -0.387 -3.252 1.00 0.00 H new ATOM 0 HB3 LEU A 80 20.055 -0.913 -2.416 1.00 0.00 H new ATOM 0 HG LEU A 80 18.038 -2.605 -3.889 1.00 0.00 H new ATOM 0 HD11 LEU A 80 20.030 -3.305 -5.164 1.00 0.00 H new ATOM 0 HD12 LEU A 80 19.777 -1.546 -5.242 1.00 0.00 H new ATOM 0 HD13 LEU A 80 21.035 -2.218 -4.177 1.00 0.00 H new ATOM 0 HD21 LEU A 80 19.321 -4.575 -3.194 1.00 0.00 H new ATOM 0 HD22 LEU A 80 20.299 -3.550 -2.117 1.00 0.00 H new ATOM 0 HD23 LEU A 80 18.557 -3.753 -1.813 1.00 0.00 H new ATOM 1300 N TYR A 81 18.864 -2.575 0.620 1.00 0.00 N ATOM 1301 CA TYR A 81 19.590 -2.902 1.843 1.00 0.00 C ATOM 1302 C TYR A 81 20.999 -3.393 1.513 1.00 0.00 C ATOM 1303 O TYR A 81 21.182 -4.251 0.647 1.00 0.00 O ATOM 1304 CB TYR A 81 18.824 -3.972 2.627 1.00 0.00 C ATOM 1305 CG TYR A 81 19.092 -3.976 4.117 1.00 0.00 C ATOM 1306 CD1 TYR A 81 18.534 -3.006 4.941 1.00 0.00 C ATOM 1307 CD2 TYR A 81 19.881 -4.958 4.702 1.00 0.00 C ATOM 1308 CE1 TYR A 81 18.758 -3.014 6.305 1.00 0.00 C ATOM 1309 CE2 TYR A 81 20.111 -4.969 6.064 1.00 0.00 C ATOM 1310 CZ TYR A 81 19.548 -3.998 6.860 1.00 0.00 C ATOM 1311 OH TYR A 81 19.768 -4.015 8.221 1.00 0.00 O ATOM 0 H TYR A 81 18.115 -3.229 0.391 1.00 0.00 H new ATOM 0 HA TYR A 81 19.675 -2.004 2.455 1.00 0.00 H new ATOM 0 HB2 TYR A 81 17.756 -3.828 2.464 1.00 0.00 H new ATOM 0 HB3 TYR A 81 19.079 -4.952 2.223 1.00 0.00 H new ATOM 0 HD1 TYR A 81 17.915 -2.233 4.509 1.00 0.00 H new ATOM 0 HD2 TYR A 81 20.322 -5.725 4.082 1.00 0.00 H new ATOM 0 HE1 TYR A 81 18.317 -2.254 6.932 1.00 0.00 H new ATOM 0 HE2 TYR A 81 20.731 -5.737 6.503 1.00 0.00 H new ATOM 0 HH TYR A 81 20.345 -4.773 8.450 1.00 0.00 H new ATOM 1401 N GLU A 88 19.440 -6.666 -0.886 1.00 0.00 N ATOM 1402 CA GLU A 88 18.033 -6.977 -0.992 1.00 0.00 C ATOM 1403 C GLU A 88 17.192 -5.743 -0.723 1.00 0.00 C ATOM 1404 O GLU A 88 17.121 -5.249 0.401 1.00 0.00 O ATOM 1405 CB GLU A 88 17.646 -8.120 -0.040 1.00 0.00 C ATOM 1406 CG GLU A 88 18.561 -8.277 1.169 1.00 0.00 C ATOM 1407 CD GLU A 88 19.781 -9.143 0.883 1.00 0.00 C ATOM 1408 OE1 GLU A 88 19.642 -10.385 0.887 1.00 0.00 O ATOM 1409 OE2 GLU A 88 20.880 -8.589 0.656 1.00 0.00 O ATOM 0 HA GLU A 88 17.837 -7.311 -2.011 1.00 0.00 H new ATOM 0 HB2 GLU A 88 16.628 -7.954 0.311 1.00 0.00 H new ATOM 0 HB3 GLU A 88 17.642 -9.055 -0.600 1.00 0.00 H new ATOM 0 HG2 GLU A 88 18.891 -7.292 1.499 1.00 0.00 H new ATOM 0 HG3 GLU A 88 17.996 -8.716 1.991 1.00 0.00 H new ATOM 1416 N HIS A 89 16.587 -5.227 -1.778 1.00 0.00 N ATOM 1417 CA HIS A 89 15.732 -4.055 -1.667 1.00 0.00 C ATOM 1418 C HIS A 89 14.493 -4.366 -0.839 1.00 0.00 C ATOM 1419 O HIS A 89 13.998 -5.495 -0.840 1.00 0.00 O ATOM 1420 CB HIS A 89 15.360 -3.497 -3.049 1.00 0.00 C ATOM 1421 CG HIS A 89 15.261 -4.522 -4.143 1.00 0.00 C ATOM 1422 ND1 HIS A 89 16.089 -4.520 -5.247 1.00 0.00 N ATOM 1423 CD2 HIS A 89 14.416 -5.566 -4.317 1.00 0.00 C ATOM 1424 CE1 HIS A 89 15.756 -5.510 -6.048 1.00 0.00 C ATOM 1425 NE2 HIS A 89 14.749 -6.164 -5.511 1.00 0.00 N ATOM 0 H HIS A 89 16.671 -5.601 -2.723 1.00 0.00 H new ATOM 0 HA HIS A 89 16.294 -3.279 -1.148 1.00 0.00 H new ATOM 0 HB2 HIS A 89 14.404 -2.979 -2.970 1.00 0.00 H new ATOM 0 HB3 HIS A 89 16.103 -2.753 -3.335 1.00 0.00 H new ATOM 0 HD2 HIS A 89 13.628 -5.872 -3.645 1.00 0.00 H new ATOM 0 HE1 HIS A 89 16.230 -5.746 -6.989 1.00 0.00 H new ATOM 0 HE2 HIS A 89 14.290 -6.981 -5.914 1.00 0.00 H new ATOM 1434 N TYR A 90 14.007 -3.358 -0.131 1.00 0.00 N ATOM 1435 CA TYR A 90 12.960 -3.551 0.854 1.00 0.00 C ATOM 1436 C TYR A 90 11.911 -2.451 0.773 1.00 0.00 C ATOM 1437 O TYR A 90 12.094 -1.448 0.080 1.00 0.00 O ATOM 1438 CB TYR A 90 13.567 -3.566 2.262 1.00 0.00 C ATOM 1439 CG TYR A 90 14.301 -2.288 2.631 1.00 0.00 C ATOM 1440 CD1 TYR A 90 13.636 -1.228 3.237 1.00 0.00 C ATOM 1441 CD2 TYR A 90 15.658 -2.145 2.373 1.00 0.00 C ATOM 1442 CE1 TYR A 90 14.303 -0.063 3.569 1.00 0.00 C ATOM 1443 CE2 TYR A 90 16.332 -0.983 2.704 1.00 0.00 C ATOM 1444 CZ TYR A 90 15.651 0.054 3.302 1.00 0.00 C ATOM 1445 OH TYR A 90 16.318 1.214 3.633 1.00 0.00 O ATOM 0 H TYR A 90 14.325 -2.393 -0.223 1.00 0.00 H new ATOM 0 HA TYR A 90 12.477 -4.505 0.644 1.00 0.00 H new ATOM 0 HB2 TYR A 90 12.772 -3.739 2.988 1.00 0.00 H new ATOM 0 HB3 TYR A 90 14.258 -4.405 2.340 1.00 0.00 H new ATOM 0 HD1 TYR A 90 12.581 -1.316 3.452 1.00 0.00 H new ATOM 0 HD2 TYR A 90 16.197 -2.956 1.905 1.00 0.00 H new ATOM 0 HE1 TYR A 90 13.770 0.752 4.036 1.00 0.00 H new ATOM 0 HE2 TYR A 90 17.387 -0.890 2.494 1.00 0.00 H new ATOM 0 HH TYR A 90 17.261 1.133 3.379 1.00 0.00 H new ATOM 1455 N GLY A 91 10.823 -2.655 1.493 1.00 0.00 N ATOM 1456 CA GLY A 91 9.811 -1.636 1.645 1.00 0.00 C ATOM 1457 C GLY A 91 9.252 -1.642 3.051 1.00 0.00 C ATOM 1458 O GLY A 91 9.664 -2.460 3.872 1.00 0.00 O ATOM 0 H GLY A 91 10.620 -3.526 1.984 1.00 0.00 H new ATOM 0 HA2 GLY A 91 10.237 -0.658 1.422 1.00 0.00 H new ATOM 0 HA3 GLY A 91 9.007 -1.805 0.928 1.00 0.00 H new ATOM 1462 N ILE A 92 8.317 -0.747 3.336 1.00 0.00 N ATOM 1463 CA ILE A 92 7.714 -0.676 4.661 1.00 0.00 C ATOM 1464 C ILE A 92 6.301 -1.273 4.642 1.00 0.00 C ATOM 1465 O ILE A 92 5.386 -0.699 4.048 1.00 0.00 O ATOM 1466 CB ILE A 92 7.657 0.780 5.168 1.00 0.00 C ATOM 1467 CG1 ILE A 92 9.038 1.429 5.048 1.00 0.00 C ATOM 1468 CG2 ILE A 92 7.178 0.823 6.611 1.00 0.00 C ATOM 1469 CD1 ILE A 92 9.053 2.899 5.392 1.00 0.00 C ATOM 0 H ILE A 92 7.960 -0.062 2.671 1.00 0.00 H new ATOM 0 HA ILE A 92 8.338 -1.256 5.341 1.00 0.00 H new ATOM 0 HB ILE A 92 6.949 1.337 4.554 1.00 0.00 H new ATOM 0 HG12 ILE A 92 9.733 0.905 5.704 1.00 0.00 H new ATOM 0 HG13 ILE A 92 9.402 1.300 4.029 1.00 0.00 H new ATOM 0 HG21 ILE A 92 7.144 1.858 6.952 1.00 0.00 H new ATOM 0 HG22 ILE A 92 6.182 0.386 6.677 1.00 0.00 H new ATOM 0 HG23 ILE A 92 7.865 0.256 7.239 1.00 0.00 H new ATOM 0 HD11 ILE A 92 10.066 3.288 5.283 1.00 0.00 H new ATOM 0 HD12 ILE A 92 8.384 3.437 4.720 1.00 0.00 H new ATOM 0 HD13 ILE A 92 8.720 3.035 6.421 1.00 0.00 H new ATOM 1481 N PRO A 93 6.103 -2.426 5.308 1.00 0.00 N ATOM 1482 CA PRO A 93 4.847 -3.168 5.268 1.00 0.00 C ATOM 1483 C PRO A 93 3.806 -2.650 6.259 1.00 0.00 C ATOM 1484 O PRO A 93 4.105 -2.382 7.424 1.00 0.00 O ATOM 1485 CB PRO A 93 5.260 -4.600 5.626 1.00 0.00 C ATOM 1486 CG PRO A 93 6.634 -4.521 6.219 1.00 0.00 C ATOM 1487 CD PRO A 93 7.085 -3.083 6.173 1.00 0.00 C ATOM 0 HA PRO A 93 4.367 -3.075 4.294 1.00 0.00 H new ATOM 0 HB2 PRO A 93 4.558 -5.039 6.335 1.00 0.00 H new ATOM 0 HB3 PRO A 93 5.257 -5.236 4.740 1.00 0.00 H new ATOM 0 HG2 PRO A 93 6.626 -4.884 7.247 1.00 0.00 H new ATOM 0 HG3 PRO A 93 7.325 -5.154 5.663 1.00 0.00 H new ATOM 0 HD2 PRO A 93 7.100 -2.638 7.168 1.00 0.00 H new ATOM 0 HD3 PRO A 93 8.094 -2.995 5.769 1.00 0.00 H new ATOM 1495 N HIS A 94 2.579 -2.506 5.776 1.00 0.00 N ATOM 1496 CA HIS A 94 1.462 -2.065 6.604 1.00 0.00 C ATOM 1497 C HIS A 94 0.281 -3.006 6.413 1.00 0.00 C ATOM 1498 O HIS A 94 0.367 -3.963 5.642 1.00 0.00 O ATOM 1499 CB HIS A 94 1.025 -0.645 6.231 1.00 0.00 C ATOM 1500 CG HIS A 94 2.103 0.384 6.348 1.00 0.00 C ATOM 1501 ND1 HIS A 94 3.104 0.525 5.419 1.00 0.00 N ATOM 1502 CD2 HIS A 94 2.325 1.333 7.285 1.00 0.00 C ATOM 1503 CE1 HIS A 94 3.898 1.510 5.777 1.00 0.00 C ATOM 1504 NE2 HIS A 94 3.450 2.024 6.906 1.00 0.00 N ATOM 0 H HIS A 94 2.330 -2.690 4.804 1.00 0.00 H new ATOM 0 HA HIS A 94 1.790 -2.072 7.643 1.00 0.00 H new ATOM 0 HB2 HIS A 94 0.654 -0.650 5.206 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.192 -0.355 6.871 1.00 0.00 H new ATOM 0 HD1 HIS A 94 3.215 -0.046 4.581 1.00 0.00 H new ATOM 0 HD2 HIS A 94 1.729 1.514 8.167 1.00 0.00 H new ATOM 0 HE1 HIS A 94 4.772 1.843 5.236 1.00 0.00 H new ATOM 1513 N GLY A 95 -0.828 -2.687 7.064 1.00 0.00 N ATOM 1514 CA GLY A 95 -2.029 -3.489 6.948 1.00 0.00 C ATOM 1515 C GLY A 95 -3.171 -2.856 7.709 1.00 0.00 C ATOM 1516 O GLY A 95 -2.937 -2.049 8.606 1.00 0.00 O ATOM 0 H GLY A 95 -0.917 -1.877 7.678 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -2.301 -3.596 5.898 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -1.841 -4.492 7.332 1.00 0.00 H new ATOM 1520 N PHE A 96 -4.403 -3.207 7.352 1.00 0.00 N ATOM 1521 CA PHE A 96 -5.571 -2.487 7.856 1.00 0.00 C ATOM 1522 C PHE A 96 -6.726 -3.438 8.140 1.00 0.00 C ATOM 1523 O PHE A 96 -6.894 -4.444 7.449 1.00 0.00 O ATOM 1524 CB PHE A 96 -6.004 -1.424 6.840 1.00 0.00 C ATOM 1525 CG PHE A 96 -4.889 -0.494 6.463 1.00 0.00 C ATOM 1526 CD1 PHE A 96 -4.642 0.649 7.204 1.00 0.00 C ATOM 1527 CD2 PHE A 96 -4.069 -0.781 5.384 1.00 0.00 C ATOM 1528 CE1 PHE A 96 -3.598 1.490 6.872 1.00 0.00 C ATOM 1529 CE2 PHE A 96 -3.023 0.053 5.052 1.00 0.00 C ATOM 1530 CZ PHE A 96 -2.787 1.193 5.797 1.00 0.00 C ATOM 0 H PHE A 96 -4.619 -3.979 6.721 1.00 0.00 H new ATOM 0 HA PHE A 96 -5.295 -2.004 8.793 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -6.380 -1.916 5.943 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -6.829 -0.845 7.255 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -5.271 0.885 8.049 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -4.251 -1.668 4.796 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -3.417 2.381 7.455 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -2.389 -0.184 4.211 1.00 0.00 H new ATOM 0 HZ PHE A 96 -1.970 1.849 5.538 1.00 0.00 H new ATOM 1540 N SER A 97 -7.508 -3.111 9.160 1.00 0.00 N ATOM 1541 CA SER A 97 -8.615 -3.954 9.587 1.00 0.00 C ATOM 1542 C SER A 97 -9.895 -3.677 8.791 1.00 0.00 C ATOM 1543 O SER A 97 -10.799 -4.513 8.749 1.00 0.00 O ATOM 1544 CB SER A 97 -8.876 -3.727 11.077 1.00 0.00 C ATOM 1545 OG SER A 97 -7.657 -3.654 11.800 1.00 0.00 O ATOM 0 H SER A 97 -7.394 -2.260 9.711 1.00 0.00 H new ATOM 0 HA SER A 97 -8.335 -4.991 9.403 1.00 0.00 H new ATOM 0 HB2 SER A 97 -9.441 -2.805 11.215 1.00 0.00 H new ATOM 0 HB3 SER A 97 -9.489 -4.538 11.471 1.00 0.00 H new ATOM 0 HG SER A 97 -7.848 -3.507 12.750 1.00 0.00 H new ATOM 1551 N SER A 98 -9.987 -2.502 8.174 1.00 0.00 N ATOM 1552 CA SER A 98 -11.198 -2.124 7.453 1.00 0.00 C ATOM 1553 C SER A 98 -10.886 -1.186 6.290 1.00 0.00 C ATOM 1554 O SER A 98 -9.923 -0.414 6.339 1.00 0.00 O ATOM 1555 CB SER A 98 -12.196 -1.470 8.410 1.00 0.00 C ATOM 1556 OG SER A 98 -12.598 -2.382 9.422 1.00 0.00 O ATOM 0 H SER A 98 -9.245 -1.802 8.159 1.00 0.00 H new ATOM 0 HA SER A 98 -11.640 -3.030 7.039 1.00 0.00 H new ATOM 0 HB2 SER A 98 -11.745 -0.589 8.867 1.00 0.00 H new ATOM 0 HB3 SER A 98 -13.069 -1.129 7.854 1.00 0.00 H new ATOM 0 HG SER A 98 -13.235 -1.943 10.024 1.00 0.00 H new ATOM 1562 N ARG A 99 -11.705 -1.276 5.242 1.00 0.00 N ATOM 1563 CA ARG A 99 -11.494 -0.511 4.014 1.00 0.00 C ATOM 1564 C ARG A 99 -11.544 0.991 4.274 1.00 0.00 C ATOM 1565 O ARG A 99 -10.637 1.723 3.887 1.00 0.00 O ATOM 1566 CB ARG A 99 -12.529 -0.875 2.938 1.00 0.00 C ATOM 1567 CG ARG A 99 -12.532 -2.346 2.539 1.00 0.00 C ATOM 1568 CD ARG A 99 -13.384 -3.176 3.485 1.00 0.00 C ATOM 1569 NE ARG A 99 -13.311 -4.604 3.195 1.00 0.00 N ATOM 1570 CZ ARG A 99 -14.236 -5.489 3.556 1.00 0.00 C ATOM 1571 NH1 ARG A 99 -15.354 -5.089 4.143 1.00 0.00 N ATOM 1572 NH2 ARG A 99 -14.057 -6.773 3.289 1.00 0.00 N ATOM 0 H ARG A 99 -12.528 -1.878 5.220 1.00 0.00 H new ATOM 0 HA ARG A 99 -10.500 -0.774 3.652 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -13.521 -0.608 3.301 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -12.340 -0.271 2.051 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -12.911 -2.448 1.522 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -11.511 -2.726 2.538 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -13.059 -3.000 4.511 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -14.421 -2.847 3.418 1.00 0.00 H new ATOM 0 HE ARG A 99 -12.498 -4.946 2.682 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -15.510 -4.097 4.321 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -16.059 -5.773 4.417 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -13.212 -7.081 2.808 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -14.764 -7.455 3.564 1.00 0.00 H new ATOM 1586 N ILE A 100 -12.613 1.444 4.927 1.00 0.00 N ATOM 1587 CA ILE A 100 -12.822 2.871 5.175 1.00 0.00 C ATOM 1588 C ILE A 100 -11.684 3.463 6.015 1.00 0.00 C ATOM 1589 O ILE A 100 -11.335 4.632 5.869 1.00 0.00 O ATOM 1590 CB ILE A 100 -14.182 3.139 5.864 1.00 0.00 C ATOM 1591 CG1 ILE A 100 -14.466 4.641 5.959 1.00 0.00 C ATOM 1592 CG2 ILE A 100 -14.209 2.518 7.245 1.00 0.00 C ATOM 1593 CD1 ILE A 100 -14.614 5.316 4.613 1.00 0.00 C ATOM 0 H ILE A 100 -13.350 0.842 5.295 1.00 0.00 H new ATOM 0 HA ILE A 100 -12.830 3.362 4.202 1.00 0.00 H new ATOM 0 HB ILE A 100 -14.961 2.681 5.254 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -15.379 4.794 6.535 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -13.657 5.121 6.510 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -15.173 2.716 7.714 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -14.060 1.441 7.163 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -13.414 2.949 7.853 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -14.814 6.378 4.758 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -13.694 5.195 4.042 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -15.442 4.863 4.068 1.00 0.00 H new ATOM 1605 N ALA A 101 -11.100 2.648 6.889 1.00 0.00 N ATOM 1606 CA ALA A 101 -9.961 3.085 7.682 1.00 0.00 C ATOM 1607 C ALA A 101 -8.777 3.363 6.768 1.00 0.00 C ATOM 1608 O ALA A 101 -8.126 4.398 6.880 1.00 0.00 O ATOM 1609 CB ALA A 101 -9.600 2.037 8.725 1.00 0.00 C ATOM 0 H ALA A 101 -11.396 1.688 7.064 1.00 0.00 H new ATOM 0 HA ALA A 101 -10.226 4.003 8.206 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -8.746 2.383 9.308 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -10.450 1.876 9.388 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -9.345 1.101 8.227 1.00 0.00 H new ATOM 1615 N LEU A 102 -8.528 2.437 5.846 1.00 0.00 N ATOM 1616 CA LEU A 102 -7.495 2.612 4.833 1.00 0.00 C ATOM 1617 C LEU A 102 -7.767 3.873 4.015 1.00 0.00 C ATOM 1618 O LEU A 102 -6.850 4.628 3.694 1.00 0.00 O ATOM 1619 CB LEU A 102 -7.449 1.377 3.921 1.00 0.00 C ATOM 1620 CG LEU A 102 -6.542 1.482 2.691 1.00 0.00 C ATOM 1621 CD1 LEU A 102 -5.118 1.806 3.101 1.00 0.00 C ATOM 1622 CD2 LEU A 102 -6.582 0.186 1.895 1.00 0.00 C ATOM 0 H LEU A 102 -9.032 1.553 5.781 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.528 2.723 5.323 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -7.124 0.523 4.515 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.463 1.162 3.583 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.909 2.292 2.061 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -4.491 1.876 2.212 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -5.100 2.757 3.634 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -4.739 1.018 3.752 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -5.933 0.274 1.024 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.238 -0.637 2.522 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.603 -0.009 1.569 1.00 0.00 H new ATOM 1634 N GLU A 103 -9.040 4.096 3.712 1.00 0.00 N ATOM 1635 CA GLU A 103 -9.482 5.277 2.978 1.00 0.00 C ATOM 1636 C GLU A 103 -9.048 6.550 3.712 1.00 0.00 C ATOM 1637 O GLU A 103 -8.400 7.427 3.138 1.00 0.00 O ATOM 1638 CB GLU A 103 -11.011 5.228 2.824 1.00 0.00 C ATOM 1639 CG GLU A 103 -11.581 6.171 1.770 1.00 0.00 C ATOM 1640 CD GLU A 103 -11.841 7.563 2.309 1.00 0.00 C ATOM 1641 OE1 GLU A 103 -12.566 7.681 3.316 1.00 0.00 O ATOM 1642 OE2 GLU A 103 -11.334 8.545 1.730 1.00 0.00 O ATOM 0 H GLU A 103 -9.797 3.462 3.968 1.00 0.00 H new ATOM 0 HA GLU A 103 -9.024 5.289 1.989 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -11.304 4.208 2.574 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -11.466 5.464 3.786 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -10.887 6.234 0.932 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -12.512 5.756 1.383 1.00 0.00 H new ATOM 1649 N ARG A 104 -9.378 6.617 4.999 1.00 0.00 N ATOM 1650 CA ARG A 104 -9.045 7.773 5.831 1.00 0.00 C ATOM 1651 C ARG A 104 -7.530 7.915 6.009 1.00 0.00 C ATOM 1652 O ARG A 104 -7.019 9.021 6.192 1.00 0.00 O ATOM 1653 CB ARG A 104 -9.697 7.632 7.212 1.00 0.00 C ATOM 1654 CG ARG A 104 -11.213 7.477 7.199 1.00 0.00 C ATOM 1655 CD ARG A 104 -11.924 8.771 6.829 1.00 0.00 C ATOM 1656 NE ARG A 104 -11.816 9.080 5.405 1.00 0.00 N ATOM 1657 CZ ARG A 104 -11.440 10.257 4.914 1.00 0.00 C ATOM 1658 NH1 ARG A 104 -11.091 11.249 5.727 1.00 0.00 N ATOM 1659 NH2 ARG A 104 -11.390 10.432 3.606 1.00 0.00 N ATOM 0 H ARG A 104 -9.880 5.879 5.493 1.00 0.00 H new ATOM 0 HA ARG A 104 -9.423 8.662 5.327 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -9.263 6.767 7.715 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -9.442 8.508 7.808 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -11.490 6.697 6.489 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -11.551 7.148 8.182 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -12.976 8.695 7.102 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -11.503 9.592 7.409 1.00 0.00 H new ATOM 0 HE ARG A 104 -12.045 8.341 4.741 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -11.110 11.111 6.737 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -10.804 12.148 5.340 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -11.639 9.667 2.979 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -11.102 11.332 3.223 1.00 0.00 H new ATOM 1673 N TYR A 105 -6.813 6.797 5.981 1.00 0.00 N ATOM 1674 CA TYR A 105 -5.369 6.817 6.134 1.00 0.00 C ATOM 1675 C TYR A 105 -4.682 7.312 4.867 1.00 0.00 C ATOM 1676 O TYR A 105 -3.842 8.208 4.929 1.00 0.00 O ATOM 1677 CB TYR A 105 -4.845 5.436 6.513 1.00 0.00 C ATOM 1678 CG TYR A 105 -5.120 5.054 7.949 1.00 0.00 C ATOM 1679 CD1 TYR A 105 -4.969 5.978 8.975 1.00 0.00 C ATOM 1680 CD2 TYR A 105 -5.521 3.768 8.282 1.00 0.00 C ATOM 1681 CE1 TYR A 105 -5.212 5.631 10.289 1.00 0.00 C ATOM 1682 CE2 TYR A 105 -5.768 3.413 9.593 1.00 0.00 C ATOM 1683 CZ TYR A 105 -5.611 4.347 10.593 1.00 0.00 C ATOM 1684 OH TYR A 105 -5.850 3.994 11.899 1.00 0.00 O ATOM 0 H TYR A 105 -7.211 5.867 5.854 1.00 0.00 H new ATOM 0 HA TYR A 105 -5.135 7.513 6.940 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -5.297 4.693 5.856 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -3.770 5.405 6.338 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -4.656 6.985 8.741 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -5.642 3.031 7.501 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -5.090 6.362 11.075 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -6.083 2.408 9.833 1.00 0.00 H new ATOM 0 HH TYR A 105 -6.124 3.054 11.939 1.00 0.00 H new ATOM 1694 N LEU A 106 -5.046 6.741 3.721 1.00 0.00 N ATOM 1695 CA LEU A 106 -4.483 7.171 2.440 1.00 0.00 C ATOM 1696 C LEU A 106 -4.783 8.643 2.210 1.00 0.00 C ATOM 1697 O LEU A 106 -4.008 9.362 1.577 1.00 0.00 O ATOM 1698 CB LEU A 106 -5.061 6.350 1.283 1.00 0.00 C ATOM 1699 CG LEU A 106 -4.788 4.846 1.334 1.00 0.00 C ATOM 1700 CD1 LEU A 106 -5.458 4.150 0.158 1.00 0.00 C ATOM 1701 CD2 LEU A 106 -3.293 4.568 1.337 1.00 0.00 C ATOM 0 H LEU A 106 -5.725 5.983 3.651 1.00 0.00 H new ATOM 0 HA LEU A 106 -3.405 7.015 2.475 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -6.140 6.504 1.256 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -4.660 6.742 0.348 1.00 0.00 H new ATOM 0 HG LEU A 106 -5.207 4.451 2.259 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -5.256 3.080 0.206 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.534 4.319 0.200 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -5.064 4.552 -0.775 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -3.123 3.492 1.374 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -2.845 4.975 0.431 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -2.837 5.037 2.209 1.00 0.00 H new ATOM 1713 N ASN A 107 -5.914 9.068 2.753 1.00 0.00 N ATOM 1714 CA ASN A 107 -6.374 10.446 2.669 1.00 0.00 C ATOM 1715 C ASN A 107 -5.307 11.411 3.165 1.00 0.00 C ATOM 1716 O ASN A 107 -4.926 12.346 2.464 1.00 0.00 O ATOM 1717 CB ASN A 107 -7.630 10.593 3.523 1.00 0.00 C ATOM 1718 CG ASN A 107 -8.386 11.871 3.258 1.00 0.00 C ATOM 1719 OD1 ASN A 107 -9.313 11.812 2.320 1.00 0.00 O flip ATOM 1720 ND2 ASN A 107 -8.156 12.893 3.897 1.00 0.00 N flip ATOM 0 H ASN A 107 -6.546 8.458 3.271 1.00 0.00 H new ATOM 0 HA ASN A 107 -6.588 10.685 1.627 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -8.288 9.744 3.337 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -7.351 10.556 4.576 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -7.430 12.894 4.613 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -8.691 13.742 3.712 1.00 0.00 H new ATOM 1727 N GLY A 108 -4.827 11.169 4.374 1.00 0.00 N ATOM 1728 CA GLY A 108 -3.824 12.040 4.962 1.00 0.00 C ATOM 1729 C GLY A 108 -2.407 11.646 4.590 1.00 0.00 C ATOM 1730 O GLY A 108 -1.497 12.472 4.643 1.00 0.00 O ATOM 0 H GLY A 108 -5.112 10.385 4.962 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -4.007 13.065 4.640 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -3.927 12.024 6.047 1.00 0.00 H new ATOM 1734 N LEU A 109 -2.209 10.385 4.223 1.00 0.00 N ATOM 1735 CA LEU A 109 -0.874 9.888 3.906 1.00 0.00 C ATOM 1736 C LEU A 109 -0.429 10.340 2.522 1.00 0.00 C ATOM 1737 O LEU A 109 0.641 10.923 2.368 1.00 0.00 O ATOM 1738 CB LEU A 109 -0.827 8.358 4.002 1.00 0.00 C ATOM 1739 CG LEU A 109 0.553 7.732 3.769 1.00 0.00 C ATOM 1740 CD1 LEU A 109 1.560 8.262 4.776 1.00 0.00 C ATOM 1741 CD2 LEU A 109 0.476 6.218 3.854 1.00 0.00 C ATOM 0 H LEU A 109 -2.951 9.691 4.138 1.00 0.00 H new ATOM 0 HA LEU A 109 -0.185 10.307 4.639 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.181 8.061 4.989 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -1.524 7.943 3.275 1.00 0.00 H new ATOM 0 HG LEU A 109 0.884 8.008 2.768 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.533 7.805 4.593 1.00 0.00 H new ATOM 0 HD12 LEU A 109 1.642 9.344 4.673 1.00 0.00 H new ATOM 0 HD13 LEU A 109 1.228 8.018 5.785 1.00 0.00 H new ATOM 0 HD21 LEU A 109 1.466 5.793 3.686 1.00 0.00 H new ATOM 0 HD22 LEU A 109 0.119 5.927 4.842 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -0.212 5.846 3.095 1.00 0.00 H new ATOM 1753 N PHE A 110 -1.249 10.073 1.521 1.00 0.00 N ATOM 1754 CA PHE A 110 -0.890 10.401 0.149 1.00 0.00 C ATOM 1755 C PHE A 110 -1.709 11.576 -0.367 1.00 0.00 C ATOM 1756 O PHE A 110 -1.281 12.288 -1.277 1.00 0.00 O ATOM 1757 CB PHE A 110 -1.088 9.193 -0.765 1.00 0.00 C ATOM 1758 CG PHE A 110 -0.231 8.013 -0.402 1.00 0.00 C ATOM 1759 CD1 PHE A 110 1.151 8.105 -0.448 1.00 0.00 C ATOM 1760 CD2 PHE A 110 -0.806 6.810 -0.024 1.00 0.00 C ATOM 1761 CE1 PHE A 110 1.942 7.021 -0.124 1.00 0.00 C ATOM 1762 CE2 PHE A 110 -0.018 5.723 0.303 1.00 0.00 C ATOM 1763 CZ PHE A 110 1.357 5.828 0.252 1.00 0.00 C ATOM 0 H PHE A 110 -2.163 9.633 1.629 1.00 0.00 H new ATOM 0 HA PHE A 110 0.163 10.682 0.143 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -2.135 8.893 -0.734 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -0.871 9.486 -1.792 1.00 0.00 H new ATOM 0 HD1 PHE A 110 1.615 9.036 -0.741 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -1.882 6.721 0.015 1.00 0.00 H new ATOM 0 HE1 PHE A 110 3.018 7.106 -0.165 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -0.478 4.792 0.598 1.00 0.00 H new ATOM 0 HZ PHE A 110 1.974 4.979 0.506 1.00 0.00 H new