USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 764 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 67 THR OG1 : rot 125:sc= 1.13 USER MOD Set 1.2: A 72 TYR OH : rot 110:sc= 0.287 USER MOD Set 2.1: A 34 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 35 SER OG : rot -51:sc= -0.734! USER MOD Set 2.3: A 55 ASN : amide:sc= -0.21 X(o=-0.94,f=-1.4) USER MOD Set 3.1: A 19 THR OG1 : rot 180:sc= -1.53! USER MOD Set 3.2: A 62 THR OG1 : rot -77:sc= 1.17 USER MOD Single : A 7 LYS NZ :NH3+ 140:sc= -0.387 (180deg=-2.17!) USER MOD Single : A 12 ASN :FLIP amide:sc=-0.00127 F(o=-0.55,f=-0.0013) USER MOD Single : A 14 THR OG1 : rot 86:sc= 1.04 USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot -96:sc= -0.019! USER MOD Single : A 21 LYS NZ :NH3+ -158:sc= -0.104 (180deg=-0.579) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 13:sc= 0.576 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= -0.436 USER MOD Single : A 40 LYS NZ :NH3+ -134:sc= -5.26! (180deg=-7.42!) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -6.06! C(o=-6.1!,f=-12!) USER MOD Single : A 54 SER OG : rot 180:sc= -0.0719 USER MOD Single : A 59 ASN : amide:sc= -2.23 X(o=-2.2,f=-1.9!) USER MOD Single : A 64 SER OG : rot -83:sc= 0.0709 USER MOD Single : A 79 LYS NZ :NH3+ -127:sc= 1.18 (180deg=-0.242) USER MOD Single : A 80 ASN : amide:sc= -10.4! C(o=-10!,f=-14!) USER MOD Single : A 86 SER OG : rot -82:sc= 0.608 USER MOD Single : A 89 SER OG : rot -130:sc= -0.0494 USER MOD Single : A 92 SER OG : rot -95:sc= -1.68 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.00883 USER MOD Single : A 97 CYS SG : rot 69:sc= -4.08! USER MOD ----------------------------------------------------------------- ATOM 26 N ILE A 2 -19.046 -2.591 -5.219 1.00 0.68 N ATOM 27 CA ILE A 2 -18.000 -1.922 -4.456 1.00 0.61 C ATOM 28 C ILE A 2 -16.743 -1.718 -5.295 1.00 0.57 C ATOM 29 O ILE A 2 -16.185 -2.671 -5.842 1.00 0.63 O ATOM 30 CB ILE A 2 -17.634 -2.717 -3.190 1.00 0.62 C ATOM 31 CG1 ILE A 2 -16.566 -1.966 -2.382 1.00 0.60 C ATOM 32 CG2 ILE A 2 -17.159 -4.114 -3.570 1.00 0.66 C ATOM 33 CD1 ILE A 2 -15.875 -2.809 -1.323 1.00 0.56 C ATOM 0 HA ILE A 2 -18.398 -0.950 -4.166 1.00 0.61 H new ATOM 0 HB ILE A 2 -18.519 -2.819 -2.562 1.00 0.62 H new ATOM 0 HG12 ILE A 2 -15.814 -1.578 -3.069 1.00 0.60 H new ATOM 0 HG13 ILE A 2 -17.030 -1.106 -1.899 1.00 0.60 H new ATOM 0 HG21 ILE A 2 -16.902 -4.669 -2.668 1.00 0.66 H new ATOM 0 HG22 ILE A 2 -17.954 -4.636 -4.103 1.00 0.66 H new ATOM 0 HG23 ILE A 2 -16.281 -4.038 -4.211 1.00 0.66 H new ATOM 0 HD11 ILE A 2 -15.136 -2.202 -0.800 1.00 0.56 H new ATOM 0 HD12 ILE A 2 -16.614 -3.176 -0.611 1.00 0.56 H new ATOM 0 HD13 ILE A 2 -15.378 -3.655 -1.798 1.00 0.56 H new ATOM 45 N ASP A 3 -16.301 -0.469 -5.387 1.00 0.55 N ATOM 46 CA ASP A 3 -15.108 -0.131 -6.153 1.00 0.54 C ATOM 47 C ASP A 3 -13.919 0.096 -5.217 1.00 0.47 C ATOM 48 O ASP A 3 -14.014 0.864 -4.260 1.00 0.49 O ATOM 49 CB ASP A 3 -15.361 1.123 -6.998 1.00 0.61 C ATOM 50 CG ASP A 3 -16.683 1.789 -6.669 1.00 1.15 C ATOM 51 OD1 ASP A 3 -17.733 1.128 -6.810 1.00 1.64 O ATOM 52 OD2 ASP A 3 -16.668 2.974 -6.272 1.00 2.00 O ATOM 0 H ASP A 3 -16.753 0.328 -4.939 1.00 0.55 H new ATOM 0 HA ASP A 3 -14.874 -0.963 -6.817 1.00 0.54 H new ATOM 0 HB2 ASP A 3 -14.550 1.834 -6.839 1.00 0.61 H new ATOM 0 HB3 ASP A 3 -15.346 0.854 -8.054 1.00 0.61 H new ATOM 57 N PRO A 4 -12.780 -0.577 -5.473 1.00 0.44 N ATOM 58 CA PRO A 4 -11.582 -0.445 -4.638 1.00 0.41 C ATOM 59 C PRO A 4 -10.807 0.845 -4.908 1.00 0.38 C ATOM 60 O PRO A 4 -11.128 1.593 -5.831 1.00 0.43 O ATOM 61 CB PRO A 4 -10.754 -1.663 -5.038 1.00 0.45 C ATOM 62 CG PRO A 4 -11.115 -1.898 -6.462 1.00 0.50 C ATOM 63 CD PRO A 4 -12.568 -1.522 -6.587 1.00 0.50 C ATOM 0 HA PRO A 4 -11.827 -0.398 -3.577 1.00 0.41 H new ATOM 0 HB2 PRO A 4 -9.687 -1.474 -4.924 1.00 0.45 H new ATOM 0 HB3 PRO A 4 -10.993 -2.528 -4.419 1.00 0.45 H new ATOM 0 HG2 PRO A 4 -10.497 -1.294 -7.126 1.00 0.50 H new ATOM 0 HG3 PRO A 4 -10.956 -2.940 -6.738 1.00 0.50 H new ATOM 0 HD2 PRO A 4 -12.781 -1.060 -7.551 1.00 0.50 H new ATOM 0 HD3 PRO A 4 -13.216 -2.394 -6.502 1.00 0.50 H new ATOM 71 N PRO A 5 -9.773 1.122 -4.091 1.00 0.37 N ATOM 72 CA PRO A 5 -8.946 2.329 -4.226 1.00 0.39 C ATOM 73 C PRO A 5 -8.266 2.441 -5.585 1.00 0.38 C ATOM 74 O PRO A 5 -8.389 1.557 -6.433 1.00 0.47 O ATOM 75 CB PRO A 5 -7.894 2.175 -3.123 1.00 0.46 C ATOM 76 CG PRO A 5 -8.500 1.227 -2.147 1.00 0.71 C ATOM 77 CD PRO A 5 -9.334 0.283 -2.962 1.00 0.43 C ATOM 0 HA PRO A 5 -9.552 3.231 -4.141 1.00 0.39 H new ATOM 0 HB2 PRO A 5 -6.957 1.786 -3.522 1.00 0.46 H new ATOM 0 HB3 PRO A 5 -7.668 3.133 -2.655 1.00 0.46 H new ATOM 0 HG2 PRO A 5 -7.730 0.690 -1.593 1.00 0.71 H new ATOM 0 HG3 PRO A 5 -9.110 1.756 -1.415 1.00 0.71 H new ATOM 0 HD2 PRO A 5 -8.757 -0.578 -3.299 1.00 0.43 H new ATOM 0 HD3 PRO A 5 -10.180 -0.103 -2.393 1.00 0.43 H new ATOM 85 N GLY A 6 -7.548 3.543 -5.776 1.00 0.37 N ATOM 86 CA GLY A 6 -6.852 3.775 -7.028 1.00 0.39 C ATOM 87 C GLY A 6 -5.468 3.152 -7.054 1.00 0.42 C ATOM 88 O GLY A 6 -5.213 2.157 -6.375 1.00 0.66 O ATOM 0 H GLY A 6 -7.436 4.282 -5.083 1.00 0.37 H new ATOM 0 HA2 GLY A 6 -7.444 3.369 -7.848 1.00 0.39 H new ATOM 0 HA3 GLY A 6 -6.766 4.848 -7.197 1.00 0.39 H new ATOM 92 N LYS A 7 -4.575 3.742 -7.845 1.00 0.41 N ATOM 93 CA LYS A 7 -3.208 3.245 -7.966 1.00 0.44 C ATOM 94 C LYS A 7 -2.315 3.814 -6.861 1.00 0.37 C ATOM 95 O LYS A 7 -2.187 5.032 -6.731 1.00 0.42 O ATOM 96 CB LYS A 7 -2.638 3.619 -9.336 1.00 0.54 C ATOM 97 CG LYS A 7 -1.875 2.489 -10.006 1.00 0.64 C ATOM 98 CD LYS A 7 -0.698 3.014 -10.810 1.00 1.01 C ATOM 99 CE LYS A 7 0.624 2.531 -10.237 1.00 0.95 C ATOM 100 NZ LYS A 7 1.578 3.654 -10.019 1.00 1.52 N ATOM 0 H LYS A 7 -4.775 4.566 -8.412 1.00 0.41 H new ATOM 0 HA LYS A 7 -3.230 2.160 -7.864 1.00 0.44 H new ATOM 0 HB2 LYS A 7 -3.455 3.931 -9.987 1.00 0.54 H new ATOM 0 HB3 LYS A 7 -1.975 4.477 -9.223 1.00 0.54 H new ATOM 0 HG2 LYS A 7 -1.518 1.791 -9.249 1.00 0.64 H new ATOM 0 HG3 LYS A 7 -2.546 1.933 -10.661 1.00 0.64 H new ATOM 0 HD2 LYS A 7 -0.788 2.687 -11.846 1.00 1.01 H new ATOM 0 HD3 LYS A 7 -0.717 4.104 -10.817 1.00 1.01 H new ATOM 0 HE2 LYS A 7 0.444 2.018 -9.292 1.00 0.95 H new ATOM 0 HE3 LYS A 7 1.069 1.803 -10.915 1.00 0.95 H new ATOM 0 HZ1 LYS A 7 2.087 3.509 -9.124 1.00 1.52 H new ATOM 0 HZ2 LYS A 7 2.260 3.687 -10.803 1.00 1.52 H new ATOM 0 HZ3 LYS A 7 1.054 4.551 -9.978 1.00 1.52 H new ATOM 114 N PRO A 8 -1.679 2.949 -6.044 1.00 0.34 N ATOM 115 CA PRO A 8 -0.798 3.393 -4.958 1.00 0.32 C ATOM 116 C PRO A 8 0.565 3.846 -5.485 1.00 0.33 C ATOM 117 O PRO A 8 1.167 3.175 -6.323 1.00 0.44 O ATOM 118 CB PRO A 8 -0.659 2.141 -4.068 1.00 0.39 C ATOM 119 CG PRO A 8 -1.617 1.138 -4.639 1.00 0.44 C ATOM 120 CD PRO A 8 -1.745 1.483 -6.091 1.00 0.41 C ATOM 0 HA PRO A 8 -1.199 4.254 -4.424 1.00 0.32 H new ATOM 0 HB2 PRO A 8 0.362 1.761 -4.082 1.00 0.39 H new ATOM 0 HB3 PRO A 8 -0.901 2.368 -3.030 1.00 0.39 H new ATOM 0 HG2 PRO A 8 -1.244 0.122 -4.509 1.00 0.44 H new ATOM 0 HG3 PRO A 8 -2.583 1.189 -4.137 1.00 0.44 H new ATOM 0 HD2 PRO A 8 -0.940 1.054 -6.688 1.00 0.41 H new ATOM 0 HD3 PRO A 8 -2.683 1.127 -6.517 1.00 0.41 H new ATOM 128 N VAL A 9 1.040 4.993 -5.001 1.00 0.34 N ATOM 129 CA VAL A 9 2.324 5.535 -5.443 1.00 0.38 C ATOM 130 C VAL A 9 3.108 6.166 -4.287 1.00 0.34 C ATOM 131 O VAL A 9 2.634 7.110 -3.655 1.00 0.35 O ATOM 132 CB VAL A 9 2.112 6.603 -6.532 1.00 0.43 C ATOM 133 CG1 VAL A 9 3.428 6.944 -7.218 1.00 0.53 C ATOM 134 CG2 VAL A 9 1.076 6.137 -7.542 1.00 1.09 C ATOM 0 H VAL A 9 0.557 5.563 -4.306 1.00 0.34 H new ATOM 0 HA VAL A 9 2.898 4.698 -5.841 1.00 0.38 H new ATOM 0 HB VAL A 9 1.738 7.509 -6.056 1.00 0.43 H new ATOM 0 HG11 VAL A 9 3.254 7.700 -7.983 1.00 0.53 H new ATOM 0 HG12 VAL A 9 4.133 7.329 -6.481 1.00 0.53 H new ATOM 0 HG13 VAL A 9 3.840 6.047 -7.681 1.00 0.53 H new ATOM 0 HG21 VAL A 9 0.940 6.905 -8.304 1.00 1.09 H new ATOM 0 HG22 VAL A 9 1.416 5.215 -8.013 1.00 1.09 H new ATOM 0 HG23 VAL A 9 0.128 5.957 -7.034 1.00 1.09 H new ATOM 144 N PRO A 10 4.322 5.659 -3.994 1.00 0.34 N ATOM 145 CA PRO A 10 5.158 6.183 -2.910 1.00 0.32 C ATOM 146 C PRO A 10 5.633 7.611 -3.163 1.00 0.37 C ATOM 147 O PRO A 10 6.574 7.827 -3.926 1.00 0.64 O ATOM 148 CB PRO A 10 6.364 5.248 -2.876 1.00 0.38 C ATOM 149 CG PRO A 10 5.966 4.053 -3.668 1.00 0.39 C ATOM 150 CD PRO A 10 4.970 4.537 -4.680 1.00 0.42 C ATOM 0 HA PRO A 10 4.597 6.219 -1.976 1.00 0.32 H new ATOM 0 HB2 PRO A 10 7.244 5.727 -3.305 1.00 0.38 H new ATOM 0 HB3 PRO A 10 6.618 4.973 -1.852 1.00 0.38 H new ATOM 0 HG2 PRO A 10 6.831 3.604 -4.156 1.00 0.39 H new ATOM 0 HG3 PRO A 10 5.529 3.288 -3.026 1.00 0.39 H new ATOM 0 HD2 PRO A 10 5.454 4.854 -5.604 1.00 0.42 H new ATOM 0 HD3 PRO A 10 4.254 3.759 -4.946 1.00 0.42 H new ATOM 158 N LEU A 11 5.000 8.586 -2.514 1.00 0.34 N ATOM 159 CA LEU A 11 5.406 9.978 -2.684 1.00 0.43 C ATOM 160 C LEU A 11 6.854 10.125 -2.242 1.00 0.43 C ATOM 161 O LEU A 11 7.676 10.739 -2.923 1.00 0.57 O ATOM 162 CB LEU A 11 4.507 10.922 -1.872 1.00 0.56 C ATOM 163 CG LEU A 11 2.996 10.762 -2.088 1.00 0.92 C ATOM 164 CD1 LEU A 11 2.679 10.375 -3.527 1.00 1.64 C ATOM 165 CD2 LEU A 11 2.428 9.738 -1.117 1.00 1.12 C ATOM 0 H LEU A 11 4.217 8.442 -1.876 1.00 0.34 H new ATOM 0 HA LEU A 11 5.307 10.250 -3.735 1.00 0.43 H new ATOM 0 HB2 LEU A 11 4.720 10.774 -0.813 1.00 0.56 H new ATOM 0 HB3 LEU A 11 4.782 11.949 -2.112 1.00 0.56 H new ATOM 0 HG LEU A 11 2.524 11.725 -1.894 1.00 0.92 H new ATOM 0 HD11 LEU A 11 1.601 10.270 -3.646 1.00 1.64 H new ATOM 0 HD12 LEU A 11 3.045 11.150 -4.201 1.00 1.64 H new ATOM 0 HD13 LEU A 11 3.165 9.428 -3.765 1.00 1.64 H new ATOM 0 HD21 LEU A 11 1.356 9.636 -1.282 1.00 1.12 H new ATOM 0 HD22 LEU A 11 2.914 8.776 -1.278 1.00 1.12 H new ATOM 0 HD23 LEU A 11 2.607 10.068 -0.094 1.00 1.12 H new ATOM 177 N ASN A 12 7.148 9.526 -1.096 1.00 0.34 N ATOM 178 CA ASN A 12 8.485 9.532 -0.525 1.00 0.36 C ATOM 179 C ASN A 12 8.908 8.092 -0.276 1.00 0.37 C ATOM 180 O ASN A 12 8.103 7.286 0.174 1.00 0.58 O ATOM 181 CB ASN A 12 8.507 10.318 0.787 1.00 0.42 C ATOM 182 CG ASN A 12 9.908 10.727 1.195 1.00 0.58 C ATOM 183 OD1 ASN A 12 10.710 9.753 1.611 1.00 0.72 O flip ATOM 184 ND2 ASN A 12 10.267 11.903 1.136 1.00 0.71 N flip ATOM 0 H ASN A 12 6.462 9.021 -0.535 1.00 0.34 H new ATOM 0 HA ASN A 12 9.176 10.013 -1.217 1.00 0.36 H new ATOM 0 HB2 ASN A 12 7.888 11.209 0.684 1.00 0.42 H new ATOM 0 HB3 ASN A 12 8.064 9.712 1.577 1.00 0.42 H new ATOM 0 HD21 ASN A 12 9.617 12.619 0.810 1.00 0.71 H new ATOM 0 HD22 ASN A 12 11.214 12.162 1.413 1.00 0.71 H new ATOM 191 N ILE A 13 10.151 7.754 -0.577 1.00 0.38 N ATOM 192 CA ILE A 13 10.605 6.387 -0.373 1.00 0.43 C ATOM 193 C ILE A 13 11.958 6.328 0.319 1.00 0.53 C ATOM 194 O ILE A 13 13.003 6.478 -0.313 1.00 0.75 O ATOM 195 CB ILE A 13 10.669 5.614 -1.702 1.00 0.48 C ATOM 196 CG1 ILE A 13 11.350 6.463 -2.789 1.00 0.49 C ATOM 197 CG2 ILE A 13 9.266 5.191 -2.123 1.00 0.53 C ATOM 198 CD1 ILE A 13 10.427 7.432 -3.499 1.00 0.96 C ATOM 0 H ILE A 13 10.851 8.392 -0.956 1.00 0.38 H new ATOM 0 HA ILE A 13 9.870 5.914 0.278 1.00 0.43 H new ATOM 0 HB ILE A 13 11.270 4.715 -1.564 1.00 0.48 H new ATOM 0 HG12 ILE A 13 12.166 7.025 -2.335 1.00 0.49 H new ATOM 0 HG13 ILE A 13 11.794 5.796 -3.528 1.00 0.49 H new ATOM 0 HG21 ILE A 13 9.318 4.644 -3.065 1.00 0.53 H new ATOM 0 HG22 ILE A 13 8.833 4.550 -1.355 1.00 0.53 H new ATOM 0 HG23 ILE A 13 8.642 6.076 -2.251 1.00 0.53 H new ATOM 0 HD11 ILE A 13 10.990 7.989 -4.248 1.00 0.96 H new ATOM 0 HD12 ILE A 13 9.624 6.879 -3.986 1.00 0.96 H new ATOM 0 HD13 ILE A 13 10.002 8.127 -2.775 1.00 0.96 H new ATOM 210 N THR A 14 11.923 6.095 1.628 1.00 0.59 N ATOM 211 CA THR A 14 13.138 5.997 2.423 1.00 0.71 C ATOM 212 C THR A 14 13.633 4.555 2.447 1.00 0.79 C ATOM 213 O THR A 14 12.840 3.616 2.372 1.00 1.46 O ATOM 214 CB THR A 14 12.885 6.497 3.847 1.00 0.75 C ATOM 215 OG1 THR A 14 11.676 7.233 3.911 1.00 0.69 O ATOM 216 CG2 THR A 14 13.990 7.387 4.375 1.00 0.94 C ATOM 0 H THR A 14 11.062 5.970 2.160 1.00 0.59 H new ATOM 0 HA THR A 14 13.905 6.624 1.969 1.00 0.71 H new ATOM 0 HB THR A 14 12.837 5.600 4.464 1.00 0.75 H new ATOM 0 HG1 THR A 14 10.927 6.619 4.057 1.00 0.69 H new ATOM 0 HG21 THR A 14 13.747 7.706 5.389 1.00 0.94 H new ATOM 0 HG22 THR A 14 14.929 6.834 4.384 1.00 0.94 H new ATOM 0 HG23 THR A 14 14.090 8.262 3.733 1.00 0.94 H new ATOM 224 N ARG A 15 14.946 4.381 2.542 1.00 0.66 N ATOM 225 CA ARG A 15 15.536 3.042 2.561 1.00 0.67 C ATOM 226 C ARG A 15 15.045 2.216 3.754 1.00 0.71 C ATOM 227 O ARG A 15 15.237 1.001 3.789 1.00 1.19 O ATOM 228 CB ARG A 15 17.072 3.097 2.557 1.00 0.80 C ATOM 229 CG ARG A 15 17.673 4.338 3.193 1.00 0.96 C ATOM 230 CD ARG A 15 17.112 4.591 4.581 1.00 1.13 C ATOM 231 NE ARG A 15 17.730 5.753 5.213 1.00 1.43 N ATOM 232 CZ ARG A 15 17.215 6.386 6.262 1.00 1.67 C ATOM 233 NH1 ARG A 15 16.075 5.969 6.797 1.00 2.42 N ATOM 234 NH2 ARG A 15 17.840 7.435 6.777 1.00 1.90 N ATOM 0 H ARG A 15 15.621 5.143 2.607 1.00 0.66 H new ATOM 0 HA ARG A 15 15.206 2.549 1.647 1.00 0.67 H new ATOM 0 HB2 ARG A 15 17.453 2.219 3.079 1.00 0.80 H new ATOM 0 HB3 ARG A 15 17.420 3.031 1.526 1.00 0.80 H new ATOM 0 HG2 ARG A 15 18.756 4.227 3.254 1.00 0.96 H new ATOM 0 HG3 ARG A 15 17.476 5.202 2.559 1.00 0.96 H new ATOM 0 HD2 ARG A 15 16.035 4.743 4.515 1.00 1.13 H new ATOM 0 HD3 ARG A 15 17.272 3.711 5.204 1.00 1.13 H new ATOM 0 HE ARG A 15 18.608 6.099 4.827 1.00 1.43 H new ATOM 0 HH11 ARG A 15 15.592 5.161 6.403 1.00 2.42 H new ATOM 0 HH12 ARG A 15 15.681 6.456 7.602 1.00 2.42 H new ATOM 0 HH21 ARG A 15 18.717 7.757 6.368 1.00 1.90 H new ATOM 0 HH22 ARG A 15 17.444 7.920 7.582 1.00 1.90 H new ATOM 248 N HIS A 16 14.412 2.870 4.730 1.00 0.50 N ATOM 249 CA HIS A 16 13.907 2.164 5.906 1.00 0.54 C ATOM 250 C HIS A 16 12.486 2.601 6.259 1.00 0.57 C ATOM 251 O HIS A 16 12.102 2.602 7.427 1.00 0.97 O ATOM 252 CB HIS A 16 14.832 2.394 7.101 1.00 0.67 C ATOM 253 CG HIS A 16 15.809 1.279 7.320 1.00 0.68 C ATOM 254 ND1 HIS A 16 15.632 0.271 8.242 1.00 0.97 N ATOM 255 CD2 HIS A 16 16.996 1.023 6.709 1.00 0.78 C ATOM 256 CE1 HIS A 16 16.691 -0.546 8.166 1.00 1.02 C ATOM 257 NE2 HIS A 16 17.547 -0.136 7.251 1.00 0.86 N ATOM 0 H HIS A 16 14.239 3.875 4.729 1.00 0.50 H new ATOM 0 HA HIS A 16 13.883 1.101 5.665 1.00 0.54 H new ATOM 0 HB2 HIS A 16 15.381 3.324 6.953 1.00 0.67 H new ATOM 0 HB3 HIS A 16 14.228 2.520 8.000 1.00 0.67 H new ATOM 0 HD2 HIS A 16 17.441 1.622 5.928 1.00 0.78 H new ATOM 0 HE1 HIS A 16 16.826 -1.427 8.776 1.00 1.02 H new ATOM 0 HE2 HIS A 16 18.430 -0.576 6.993 1.00 0.86 H new ATOM 265 N THR A 17 11.713 2.966 5.239 1.00 0.43 N ATOM 266 CA THR A 17 10.324 3.407 5.411 1.00 0.42 C ATOM 267 C THR A 17 9.867 4.158 4.165 1.00 0.38 C ATOM 268 O THR A 17 10.513 5.118 3.750 1.00 0.56 O ATOM 269 CB THR A 17 10.170 4.319 6.636 1.00 0.56 C ATOM 270 OG1 THR A 17 11.401 4.937 6.965 1.00 0.65 O ATOM 271 CG2 THR A 17 9.676 3.593 7.870 1.00 0.68 C ATOM 0 H THR A 17 12.028 2.966 4.269 1.00 0.43 H new ATOM 0 HA THR A 17 9.708 2.521 5.565 1.00 0.42 H new ATOM 0 HB THR A 17 9.423 5.058 6.347 1.00 0.56 H new ATOM 0 HG1 THR A 17 11.851 4.418 7.664 1.00 0.65 H new ATOM 0 HG21 THR A 17 9.590 4.298 8.697 1.00 0.68 H new ATOM 0 HG22 THR A 17 8.700 3.152 7.667 1.00 0.68 H new ATOM 0 HG23 THR A 17 10.381 2.806 8.136 1.00 0.68 H new ATOM 279 N VAL A 18 8.761 3.731 3.564 1.00 0.27 N ATOM 280 CA VAL A 18 8.265 4.407 2.370 1.00 0.33 C ATOM 281 C VAL A 18 6.856 4.952 2.581 1.00 0.32 C ATOM 282 O VAL A 18 6.076 4.400 3.347 1.00 0.51 O ATOM 283 CB VAL A 18 8.298 3.514 1.107 1.00 0.44 C ATOM 284 CG1 VAL A 18 9.677 2.903 0.883 1.00 0.46 C ATOM 285 CG2 VAL A 18 7.219 2.459 1.110 1.00 0.80 C ATOM 0 H VAL A 18 8.201 2.937 3.875 1.00 0.27 H new ATOM 0 HA VAL A 18 8.949 5.238 2.199 1.00 0.33 H new ATOM 0 HB VAL A 18 8.087 4.171 0.263 1.00 0.44 H new ATOM 0 HG11 VAL A 18 9.659 2.283 -0.013 1.00 0.46 H new ATOM 0 HG12 VAL A 18 10.412 3.699 0.759 1.00 0.46 H new ATOM 0 HG13 VAL A 18 9.947 2.290 1.743 1.00 0.46 H new ATOM 0 HG21 VAL A 18 7.291 1.863 0.200 1.00 0.80 H new ATOM 0 HG22 VAL A 18 7.345 1.812 1.979 1.00 0.80 H new ATOM 0 HG23 VAL A 18 6.241 2.939 1.153 1.00 0.80 H new ATOM 295 N THR A 19 6.551 6.053 1.900 1.00 0.27 N ATOM 296 CA THR A 19 5.248 6.700 2.008 1.00 0.24 C ATOM 297 C THR A 19 4.554 6.765 0.650 1.00 0.22 C ATOM 298 O THR A 19 5.105 7.320 -0.299 1.00 0.34 O ATOM 299 CB THR A 19 5.429 8.114 2.582 1.00 0.28 C ATOM 300 OG1 THR A 19 5.645 8.060 3.981 1.00 0.35 O ATOM 301 CG2 THR A 19 4.251 9.036 2.340 1.00 0.32 C ATOM 0 H THR A 19 7.196 6.519 1.262 1.00 0.27 H new ATOM 0 HA THR A 19 4.618 6.112 2.676 1.00 0.24 H new ATOM 0 HB THR A 19 6.292 8.520 2.054 1.00 0.28 H new ATOM 0 HG1 THR A 19 5.759 8.969 4.330 1.00 0.35 H new ATOM 0 HG21 THR A 19 4.458 10.013 2.776 1.00 0.32 H new ATOM 0 HG22 THR A 19 4.088 9.144 1.268 1.00 0.32 H new ATOM 0 HG23 THR A 19 3.358 8.615 2.802 1.00 0.32 H new ATOM 309 N LEU A 20 3.341 6.209 0.564 1.00 0.28 N ATOM 310 CA LEU A 20 2.589 6.224 -0.688 1.00 0.26 C ATOM 311 C LEU A 20 1.165 6.733 -0.506 1.00 0.28 C ATOM 312 O LEU A 20 0.622 6.770 0.607 1.00 0.40 O ATOM 313 CB LEU A 20 2.558 4.835 -1.350 1.00 0.33 C ATOM 314 CG LEU A 20 2.892 3.640 -0.451 1.00 0.39 C ATOM 315 CD1 LEU A 20 4.335 3.708 0.015 1.00 0.50 C ATOM 316 CD2 LEU A 20 1.944 3.569 0.731 1.00 0.52 C ATOM 0 H LEU A 20 2.866 5.748 1.340 1.00 0.28 H new ATOM 0 HA LEU A 20 3.117 6.917 -1.343 1.00 0.26 H new ATOM 0 HB2 LEU A 20 1.564 4.679 -1.769 1.00 0.33 H new ATOM 0 HB3 LEU A 20 3.259 4.840 -2.185 1.00 0.33 H new ATOM 0 HG LEU A 20 2.766 2.729 -1.036 1.00 0.39 H new ATOM 0 HD11 LEU A 20 4.552 2.851 0.652 1.00 0.50 H new ATOM 0 HD12 LEU A 20 4.998 3.694 -0.850 1.00 0.50 H new ATOM 0 HD13 LEU A 20 4.492 4.628 0.578 1.00 0.50 H new ATOM 0 HD21 LEU A 20 2.202 2.712 1.354 1.00 0.52 H new ATOM 0 HD22 LEU A 20 2.027 4.483 1.319 1.00 0.52 H new ATOM 0 HD23 LEU A 20 0.921 3.461 0.371 1.00 0.52 H new ATOM 328 N LYS A 21 0.578 7.124 -1.632 1.00 0.25 N ATOM 329 CA LYS A 21 -0.782 7.639 -1.672 1.00 0.31 C ATOM 330 C LYS A 21 -1.556 6.986 -2.805 1.00 0.31 C ATOM 331 O LYS A 21 -0.976 6.314 -3.659 1.00 0.51 O ATOM 332 CB LYS A 21 -0.773 9.156 -1.868 1.00 0.40 C ATOM 333 CG LYS A 21 -1.245 9.923 -0.651 1.00 0.81 C ATOM 334 CD LYS A 21 -2.734 9.738 -0.421 1.00 0.95 C ATOM 335 CE LYS A 21 -3.554 10.498 -1.451 1.00 1.26 C ATOM 336 NZ LYS A 21 -3.268 11.959 -1.422 1.00 1.84 N ATOM 0 H LYS A 21 1.035 7.092 -2.544 1.00 0.25 H new ATOM 0 HA LYS A 21 -1.266 7.406 -0.723 1.00 0.31 H new ATOM 0 HB2 LYS A 21 0.238 9.476 -2.120 1.00 0.40 H new ATOM 0 HB3 LYS A 21 -1.409 9.409 -2.717 1.00 0.40 H new ATOM 0 HG2 LYS A 21 -0.695 9.587 0.228 1.00 0.81 H new ATOM 0 HG3 LYS A 21 -1.024 10.983 -0.779 1.00 0.81 H new ATOM 0 HD2 LYS A 21 -2.982 8.678 -0.467 1.00 0.95 H new ATOM 0 HD3 LYS A 21 -2.995 10.083 0.580 1.00 0.95 H new ATOM 0 HE2 LYS A 21 -3.340 10.106 -2.445 1.00 1.26 H new ATOM 0 HE3 LYS A 21 -4.615 10.332 -1.264 1.00 1.26 H new ATOM 0 HZ1 LYS A 21 -4.067 12.478 -1.839 1.00 1.84 H new ATOM 0 HZ2 LYS A 21 -3.131 12.266 -0.438 1.00 1.84 H new ATOM 0 HZ3 LYS A 21 -2.405 12.155 -1.969 1.00 1.84 H new ATOM 350 N TRP A 22 -2.864 7.189 -2.814 1.00 0.25 N ATOM 351 CA TRP A 22 -3.706 6.618 -3.853 1.00 0.24 C ATOM 352 C TRP A 22 -5.016 7.384 -3.987 1.00 0.24 C ATOM 353 O TRP A 22 -5.315 8.271 -3.187 1.00 0.40 O ATOM 354 CB TRP A 22 -3.978 5.140 -3.578 1.00 0.27 C ATOM 355 CG TRP A 22 -4.462 4.849 -2.193 1.00 0.26 C ATOM 356 CD1 TRP A 22 -5.756 4.684 -1.799 1.00 0.32 C ATOM 357 CD2 TRP A 22 -3.658 4.672 -1.021 1.00 0.25 C ATOM 358 NE1 TRP A 22 -5.808 4.417 -0.454 1.00 0.33 N ATOM 359 CE2 TRP A 22 -4.535 4.406 0.046 1.00 0.28 C ATOM 360 CE3 TRP A 22 -2.286 4.712 -0.769 1.00 0.27 C ATOM 361 CZ2 TRP A 22 -4.082 4.186 1.344 1.00 0.31 C ATOM 362 CZ3 TRP A 22 -1.842 4.490 0.521 1.00 0.31 C ATOM 363 CH2 TRP A 22 -2.740 4.230 1.560 1.00 0.32 C ATOM 0 H TRP A 22 -3.363 7.742 -2.117 1.00 0.25 H new ATOM 0 HA TRP A 22 -3.169 6.702 -4.798 1.00 0.24 H new ATOM 0 HB2 TRP A 22 -4.719 4.780 -4.292 1.00 0.27 H new ATOM 0 HB3 TRP A 22 -3.063 4.575 -3.756 1.00 0.27 H new ATOM 0 HD1 TRP A 22 -6.615 4.753 -2.450 1.00 0.32 H new ATOM 0 HE1 TRP A 22 -6.658 4.253 0.085 1.00 0.33 H new ATOM 0 HE3 TRP A 22 -1.585 4.912 -1.566 1.00 0.27 H new ATOM 0 HZ2 TRP A 22 -4.772 3.987 2.151 1.00 0.31 H new ATOM 0 HZ3 TRP A 22 -0.783 4.518 0.730 1.00 0.31 H new ATOM 0 HH2 TRP A 22 -2.360 4.060 2.556 1.00 0.32 H new ATOM 374 N ALA A 23 -5.786 7.040 -5.012 1.00 0.31 N ATOM 375 CA ALA A 23 -7.057 7.699 -5.267 1.00 0.33 C ATOM 376 C ALA A 23 -8.220 6.963 -4.618 1.00 0.36 C ATOM 377 O ALA A 23 -8.281 5.733 -4.632 1.00 0.83 O ATOM 378 CB ALA A 23 -7.290 7.825 -6.765 1.00 0.36 C ATOM 0 H ALA A 23 -5.550 6.307 -5.680 1.00 0.31 H new ATOM 0 HA ALA A 23 -7.006 8.693 -4.822 1.00 0.33 H new ATOM 0 HB1 ALA A 23 -8.244 8.320 -6.944 1.00 0.36 H new ATOM 0 HB2 ALA A 23 -6.487 8.413 -7.210 1.00 0.36 H new ATOM 0 HB3 ALA A 23 -7.305 6.833 -7.216 1.00 0.36 H new ATOM 384 N LYS A 24 -9.146 7.733 -4.063 1.00 0.59 N ATOM 385 CA LYS A 24 -10.323 7.174 -3.419 1.00 0.61 C ATOM 386 C LYS A 24 -11.345 6.774 -4.474 1.00 0.59 C ATOM 387 O LYS A 24 -11.527 7.478 -5.468 1.00 0.69 O ATOM 388 CB LYS A 24 -10.932 8.199 -2.460 1.00 0.74 C ATOM 389 CG LYS A 24 -11.705 7.580 -1.307 1.00 1.21 C ATOM 390 CD LYS A 24 -13.135 7.259 -1.704 1.00 1.22 C ATOM 391 CE LYS A 24 -13.997 8.508 -1.710 1.00 1.55 C ATOM 392 NZ LYS A 24 -15.436 8.192 -1.909 1.00 2.11 N ATOM 0 H LYS A 24 -9.103 8.752 -4.047 1.00 0.59 H new ATOM 0 HA LYS A 24 -10.033 6.290 -2.850 1.00 0.61 H new ATOM 0 HB2 LYS A 24 -10.135 8.823 -2.056 1.00 0.74 H new ATOM 0 HB3 LYS A 24 -11.598 8.855 -3.020 1.00 0.74 H new ATOM 0 HG2 LYS A 24 -11.204 6.669 -0.979 1.00 1.21 H new ATOM 0 HG3 LYS A 24 -11.707 8.265 -0.459 1.00 1.21 H new ATOM 0 HD2 LYS A 24 -13.146 6.801 -2.693 1.00 1.22 H new ATOM 0 HD3 LYS A 24 -13.553 6.529 -1.010 1.00 1.22 H new ATOM 0 HE2 LYS A 24 -13.870 9.040 -0.767 1.00 1.55 H new ATOM 0 HE3 LYS A 24 -13.660 9.177 -2.502 1.00 1.55 H new ATOM 0 HZ1 LYS A 24 -15.988 9.073 -1.907 1.00 2.11 H new ATOM 0 HZ2 LYS A 24 -15.562 7.707 -2.820 1.00 2.11 H new ATOM 0 HZ3 LYS A 24 -15.765 7.575 -1.140 1.00 2.11 H new ATOM 406 N PRO A 25 -12.032 5.638 -4.282 1.00 0.56 N ATOM 407 CA PRO A 25 -13.036 5.165 -5.232 1.00 0.63 C ATOM 408 C PRO A 25 -14.074 6.237 -5.531 1.00 0.75 C ATOM 409 O PRO A 25 -13.961 7.368 -5.062 1.00 0.89 O ATOM 410 CB PRO A 25 -13.681 3.963 -4.527 1.00 0.63 C ATOM 411 CG PRO A 25 -13.232 4.049 -3.105 1.00 0.71 C ATOM 412 CD PRO A 25 -11.897 4.735 -3.135 1.00 0.58 C ATOM 0 HA PRO A 25 -12.598 4.906 -6.196 1.00 0.63 H new ATOM 0 HB2 PRO A 25 -14.768 4.002 -4.599 1.00 0.63 H new ATOM 0 HB3 PRO A 25 -13.365 3.024 -4.983 1.00 0.63 H new ATOM 0 HG2 PRO A 25 -13.946 4.611 -2.503 1.00 0.71 H new ATOM 0 HG3 PRO A 25 -13.151 3.057 -2.660 1.00 0.71 H new ATOM 0 HD2 PRO A 25 -11.699 5.279 -2.211 1.00 0.58 H new ATOM 0 HD3 PRO A 25 -11.079 4.027 -3.270 1.00 0.58 H new ATOM 420 N GLU A 26 -15.079 5.880 -6.318 1.00 0.85 N ATOM 421 CA GLU A 26 -16.130 6.822 -6.680 1.00 1.05 C ATOM 422 C GLU A 26 -17.509 6.279 -6.338 1.00 0.95 C ATOM 423 O GLU A 26 -18.391 7.027 -5.917 1.00 1.12 O ATOM 424 CB GLU A 26 -16.055 7.151 -8.173 1.00 1.29 C ATOM 425 CG GLU A 26 -14.960 8.145 -8.522 1.00 1.83 C ATOM 426 CD GLU A 26 -15.481 9.330 -9.310 1.00 2.18 C ATOM 427 OE1 GLU A 26 -16.383 10.029 -8.803 1.00 2.53 O ATOM 428 OE2 GLU A 26 -14.986 9.560 -10.434 1.00 2.77 O ATOM 0 H GLU A 26 -15.189 4.948 -6.717 1.00 0.85 H new ATOM 0 HA GLU A 26 -15.973 7.732 -6.101 1.00 1.05 H new ATOM 0 HB2 GLU A 26 -15.890 6.230 -8.732 1.00 1.29 H new ATOM 0 HB3 GLU A 26 -17.015 7.552 -8.497 1.00 1.29 H new ATOM 0 HG2 GLU A 26 -14.491 8.501 -7.605 1.00 1.83 H new ATOM 0 HG3 GLU A 26 -14.186 7.640 -9.100 1.00 1.83 H new ATOM 435 N TYR A 27 -17.698 4.979 -6.526 1.00 0.85 N ATOM 436 CA TYR A 27 -18.982 4.360 -6.238 1.00 0.84 C ATOM 437 C TYR A 27 -19.013 3.758 -4.836 1.00 0.86 C ATOM 438 O TYR A 27 -19.693 4.273 -3.948 1.00 1.37 O ATOM 439 CB TYR A 27 -19.308 3.287 -7.281 1.00 0.86 C ATOM 440 CG TYR A 27 -20.791 3.082 -7.490 1.00 0.94 C ATOM 441 CD1 TYR A 27 -21.547 4.002 -8.206 1.00 1.15 C ATOM 442 CD2 TYR A 27 -21.437 1.968 -6.968 1.00 0.93 C ATOM 443 CE1 TYR A 27 -22.903 3.817 -8.395 1.00 1.28 C ATOM 444 CE2 TYR A 27 -22.792 1.776 -7.152 1.00 1.04 C ATOM 445 CZ TYR A 27 -23.522 2.703 -7.867 1.00 1.19 C ATOM 446 OH TYR A 27 -24.871 2.516 -8.052 1.00 1.35 O ATOM 0 H TYR A 27 -16.984 4.339 -6.874 1.00 0.85 H new ATOM 0 HA TYR A 27 -19.740 5.141 -6.284 1.00 0.84 H new ATOM 0 HB2 TYR A 27 -18.850 3.563 -8.231 1.00 0.86 H new ATOM 0 HB3 TYR A 27 -18.858 2.343 -6.973 1.00 0.86 H new ATOM 0 HD1 TYR A 27 -21.067 4.876 -8.621 1.00 1.15 H new ATOM 0 HD2 TYR A 27 -20.869 1.239 -6.408 1.00 0.93 H new ATOM 0 HE1 TYR A 27 -23.476 4.542 -8.954 1.00 1.28 H new ATOM 0 HE2 TYR A 27 -23.278 0.905 -6.738 1.00 1.04 H new ATOM 0 HH TYR A 27 -25.148 1.683 -7.617 1.00 1.35 H new ATOM 456 N THR A 28 -18.283 2.661 -4.640 1.00 0.65 N ATOM 457 CA THR A 28 -18.245 1.990 -3.341 1.00 0.61 C ATOM 458 C THR A 28 -19.657 1.763 -2.816 1.00 0.66 C ATOM 459 O THR A 28 -19.939 1.989 -1.641 1.00 0.81 O ATOM 460 CB THR A 28 -17.446 2.810 -2.329 1.00 0.64 C ATOM 461 OG1 THR A 28 -18.081 4.049 -2.072 1.00 0.91 O ATOM 462 CG2 THR A 28 -16.031 3.100 -2.775 1.00 0.79 C ATOM 0 H THR A 28 -17.712 2.219 -5.361 1.00 0.65 H new ATOM 0 HA THR A 28 -17.755 1.026 -3.476 1.00 0.61 H new ATOM 0 HB THR A 28 -17.405 2.195 -1.430 1.00 0.64 H new ATOM 0 HG1 THR A 28 -18.992 4.031 -2.433 1.00 0.91 H new ATOM 0 HG21 THR A 28 -15.521 3.685 -2.010 1.00 0.79 H new ATOM 0 HG22 THR A 28 -15.498 2.161 -2.929 1.00 0.79 H new ATOM 0 HG23 THR A 28 -16.052 3.663 -3.708 1.00 0.79 H new ATOM 470 N GLY A 29 -20.544 1.316 -3.702 1.00 0.75 N ATOM 471 CA GLY A 29 -21.927 1.063 -3.323 1.00 0.80 C ATOM 472 C GLY A 29 -22.494 2.148 -2.423 1.00 0.85 C ATOM 473 O GLY A 29 -22.989 3.168 -2.903 1.00 1.01 O ATOM 0 H GLY A 29 -20.329 1.123 -4.680 1.00 0.75 H new ATOM 0 HA2 GLY A 29 -22.538 0.986 -4.222 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -21.990 0.102 -2.812 1.00 0.80 H new ATOM 477 N GLY A 30 -22.411 1.927 -1.117 1.00 0.83 N ATOM 478 CA GLY A 30 -22.909 2.895 -0.159 1.00 0.89 C ATOM 479 C GLY A 30 -22.010 2.969 1.057 1.00 0.85 C ATOM 480 O GLY A 30 -22.481 3.069 2.189 1.00 0.98 O ATOM 0 H GLY A 30 -22.005 1.088 -0.702 1.00 0.83 H new ATOM 0 HA2 GLY A 30 -22.973 3.877 -0.629 1.00 0.89 H new ATOM 0 HA3 GLY A 30 -23.919 2.622 0.147 1.00 0.89 H new ATOM 484 N PHE A 31 -20.706 2.903 0.810 1.00 0.73 N ATOM 485 CA PHE A 31 -19.709 2.940 1.874 1.00 0.69 C ATOM 486 C PHE A 31 -18.704 4.065 1.640 1.00 0.67 C ATOM 487 O PHE A 31 -18.761 4.760 0.626 1.00 0.74 O ATOM 488 CB PHE A 31 -18.961 1.598 1.952 1.00 0.63 C ATOM 489 CG PHE A 31 -19.633 0.469 1.209 1.00 0.67 C ATOM 490 CD1 PHE A 31 -20.760 -0.145 1.731 1.00 0.79 C ATOM 491 CD2 PHE A 31 -19.140 0.032 -0.011 1.00 0.64 C ATOM 492 CE1 PHE A 31 -21.382 -1.176 1.051 1.00 0.87 C ATOM 493 CE2 PHE A 31 -19.760 -1.000 -0.695 1.00 0.73 C ATOM 494 CZ PHE A 31 -20.881 -1.603 -0.162 1.00 0.83 C ATOM 0 H PHE A 31 -20.312 2.823 -0.127 1.00 0.73 H new ATOM 0 HA PHE A 31 -20.230 3.122 2.814 1.00 0.69 H new ATOM 0 HB2 PHE A 31 -17.955 1.732 1.553 1.00 0.63 H new ATOM 0 HB3 PHE A 31 -18.854 1.315 2.999 1.00 0.63 H new ATOM 0 HD1 PHE A 31 -21.157 0.185 2.679 1.00 0.79 H new ATOM 0 HD2 PHE A 31 -18.263 0.501 -0.432 1.00 0.64 H new ATOM 0 HE1 PHE A 31 -22.259 -1.647 1.469 1.00 0.87 H new ATOM 0 HE2 PHE A 31 -19.367 -1.333 -1.644 1.00 0.73 H new ATOM 0 HZ PHE A 31 -21.366 -2.408 -0.694 1.00 0.83 H new ATOM 504 N LYS A 32 -17.781 4.235 2.582 1.00 0.68 N ATOM 505 CA LYS A 32 -16.759 5.272 2.472 1.00 0.72 C ATOM 506 C LYS A 32 -15.364 4.733 2.806 1.00 0.66 C ATOM 507 O LYS A 32 -14.394 5.491 2.825 1.00 0.74 O ATOM 508 CB LYS A 32 -17.092 6.442 3.400 1.00 0.86 C ATOM 509 CG LYS A 32 -17.067 6.070 4.875 1.00 1.38 C ATOM 510 CD LYS A 32 -16.591 7.229 5.736 1.00 1.38 C ATOM 511 CE LYS A 32 -15.399 6.834 6.592 1.00 1.50 C ATOM 512 NZ LYS A 32 -15.611 7.158 8.030 1.00 2.26 N ATOM 0 H LYS A 32 -17.719 3.669 3.429 1.00 0.68 H new ATOM 0 HA LYS A 32 -16.751 5.614 1.437 1.00 0.72 H new ATOM 0 HB2 LYS A 32 -16.381 7.249 3.224 1.00 0.86 H new ATOM 0 HB3 LYS A 32 -18.080 6.827 3.147 1.00 0.86 H new ATOM 0 HG2 LYS A 32 -18.065 5.767 5.191 1.00 1.38 H new ATOM 0 HG3 LYS A 32 -16.411 5.212 5.024 1.00 1.38 H new ATOM 0 HD2 LYS A 32 -16.319 8.070 5.098 1.00 1.38 H new ATOM 0 HD3 LYS A 32 -17.405 7.566 6.378 1.00 1.38 H new ATOM 0 HE2 LYS A 32 -15.215 5.765 6.485 1.00 1.50 H new ATOM 0 HE3 LYS A 32 -14.508 7.349 6.232 1.00 1.50 H new ATOM 0 HZ1 LYS A 32 -14.774 6.872 8.577 1.00 2.26 H new ATOM 0 HZ2 LYS A 32 -15.761 8.182 8.137 1.00 2.26 H new ATOM 0 HZ3 LYS A 32 -16.446 6.647 8.382 1.00 2.26 H new ATOM 526 N ILE A 33 -15.264 3.429 3.066 1.00 0.67 N ATOM 527 CA ILE A 33 -13.986 2.809 3.398 1.00 0.66 C ATOM 528 C ILE A 33 -13.369 3.446 4.634 1.00 0.80 C ATOM 529 O ILE A 33 -13.057 4.637 4.647 1.00 1.71 O ATOM 530 CB ILE A 33 -12.995 2.894 2.226 1.00 0.59 C ATOM 531 CG1 ILE A 33 -13.639 2.322 0.959 1.00 0.79 C ATOM 532 CG2 ILE A 33 -11.710 2.152 2.576 1.00 0.58 C ATOM 533 CD1 ILE A 33 -12.670 2.104 -0.181 1.00 0.91 C ATOM 0 H ILE A 33 -16.054 2.784 3.052 1.00 0.67 H new ATOM 0 HA ILE A 33 -14.190 1.758 3.605 1.00 0.66 H new ATOM 0 HB ILE A 33 -12.742 3.937 2.038 1.00 0.59 H new ATOM 0 HG12 ILE A 33 -14.116 1.373 1.203 1.00 0.79 H new ATOM 0 HG13 ILE A 33 -14.427 2.998 0.628 1.00 0.79 H new ATOM 0 HG21 ILE A 33 -11.013 2.217 1.740 1.00 0.58 H new ATOM 0 HG22 ILE A 33 -11.259 2.602 3.460 1.00 0.58 H new ATOM 0 HG23 ILE A 33 -11.938 1.105 2.778 1.00 0.58 H new ATOM 0 HD11 ILE A 33 -13.204 1.698 -1.040 1.00 0.91 H new ATOM 0 HD12 ILE A 33 -12.211 3.054 -0.455 1.00 0.91 H new ATOM 0 HD13 ILE A 33 -11.895 1.403 0.129 1.00 0.91 H new ATOM 545 N THR A 34 -13.203 2.642 5.674 1.00 0.72 N ATOM 546 CA THR A 34 -12.632 3.117 6.928 1.00 0.73 C ATOM 547 C THR A 34 -11.174 2.690 7.083 1.00 0.59 C ATOM 548 O THR A 34 -10.598 2.823 8.162 1.00 0.76 O ATOM 549 CB THR A 34 -13.454 2.591 8.109 1.00 0.99 C ATOM 550 OG1 THR A 34 -12.994 1.312 8.507 1.00 1.09 O ATOM 551 CG2 THR A 34 -14.935 2.474 7.809 1.00 1.15 C ATOM 0 H THR A 34 -13.456 1.654 5.675 1.00 0.72 H new ATOM 0 HA THR A 34 -12.662 4.206 6.914 1.00 0.73 H new ATOM 0 HB THR A 34 -13.320 3.326 8.903 1.00 0.99 H new ATOM 0 HG1 THR A 34 -13.529 0.993 9.263 1.00 1.09 H new ATOM 0 HG21 THR A 34 -15.456 2.096 8.689 1.00 1.15 H new ATOM 0 HG22 THR A 34 -15.332 3.455 7.546 1.00 1.15 H new ATOM 0 HG23 THR A 34 -15.084 1.787 6.976 1.00 1.15 H new ATOM 559 N SER A 35 -10.575 2.176 6.009 1.00 0.49 N ATOM 560 CA SER A 35 -9.184 1.737 6.057 1.00 0.47 C ATOM 561 C SER A 35 -8.639 1.451 4.660 1.00 0.45 C ATOM 562 O SER A 35 -9.383 1.428 3.682 1.00 0.72 O ATOM 563 CB SER A 35 -9.051 0.480 6.924 1.00 0.64 C ATOM 564 OG SER A 35 -10.117 0.374 7.851 1.00 1.58 O ATOM 0 H SER A 35 -11.028 2.055 5.103 1.00 0.49 H new ATOM 0 HA SER A 35 -8.600 2.547 6.495 1.00 0.47 H new ATOM 0 HB2 SER A 35 -9.033 -0.403 6.286 1.00 0.64 H new ATOM 0 HB3 SER A 35 -8.102 0.505 7.460 1.00 0.64 H new ATOM 0 HG SER A 35 -10.203 1.214 8.348 1.00 1.58 H new ATOM 570 N TYR A 36 -7.330 1.228 4.590 1.00 0.27 N ATOM 571 CA TYR A 36 -6.652 0.931 3.334 1.00 0.28 C ATOM 572 C TYR A 36 -5.386 0.123 3.605 1.00 0.33 C ATOM 573 O TYR A 36 -4.274 0.647 3.554 1.00 0.68 O ATOM 574 CB TYR A 36 -6.305 2.216 2.594 1.00 0.29 C ATOM 575 CG TYR A 36 -7.509 2.977 2.089 1.00 0.33 C ATOM 576 CD1 TYR A 36 -8.400 2.390 1.198 1.00 0.53 C ATOM 577 CD2 TYR A 36 -7.755 4.280 2.499 1.00 0.57 C ATOM 578 CE1 TYR A 36 -9.502 3.081 0.732 1.00 0.64 C ATOM 579 CE2 TYR A 36 -8.855 4.977 2.038 1.00 0.67 C ATOM 580 CZ TYR A 36 -9.724 4.380 1.162 1.00 0.60 C ATOM 581 OH TYR A 36 -10.822 5.065 0.692 1.00 0.76 O ATOM 0 H TYR A 36 -6.711 1.248 5.401 1.00 0.27 H new ATOM 0 HA TYR A 36 -7.323 0.344 2.707 1.00 0.28 H new ATOM 0 HB2 TYR A 36 -5.731 2.862 3.258 1.00 0.29 H new ATOM 0 HB3 TYR A 36 -5.660 1.974 1.749 1.00 0.29 H new ATOM 0 HD1 TYR A 36 -8.228 1.377 0.865 1.00 0.53 H new ATOM 0 HD2 TYR A 36 -7.075 4.757 3.190 1.00 0.57 H new ATOM 0 HE1 TYR A 36 -10.185 2.613 0.038 1.00 0.64 H new ATOM 0 HE2 TYR A 36 -9.030 5.991 2.367 1.00 0.67 H new ATOM 0 HH TYR A 36 -10.841 5.962 1.086 1.00 0.76 H new ATOM 591 N ILE A 37 -5.576 -1.155 3.906 1.00 0.24 N ATOM 592 CA ILE A 37 -4.463 -2.055 4.201 1.00 0.26 C ATOM 593 C ILE A 37 -3.379 -1.975 3.128 1.00 0.33 C ATOM 594 O ILE A 37 -3.677 -1.814 1.943 1.00 0.70 O ATOM 595 CB ILE A 37 -4.919 -3.529 4.337 1.00 0.36 C ATOM 596 CG1 ILE A 37 -6.278 -3.630 5.064 1.00 0.41 C ATOM 597 CG2 ILE A 37 -3.843 -4.323 5.070 1.00 0.46 C ATOM 598 CD1 ILE A 37 -6.669 -5.041 5.448 1.00 1.14 C ATOM 0 H ILE A 37 -6.495 -1.596 3.953 1.00 0.24 H new ATOM 0 HA ILE A 37 -4.058 -1.723 5.157 1.00 0.26 H new ATOM 0 HB ILE A 37 -5.057 -3.950 3.341 1.00 0.36 H new ATOM 0 HG12 ILE A 37 -6.243 -3.016 5.964 1.00 0.41 H new ATOM 0 HG13 ILE A 37 -7.053 -3.211 4.422 1.00 0.41 H new ATOM 0 HG21 ILE A 37 -4.160 -5.361 5.168 1.00 0.46 H new ATOM 0 HG22 ILE A 37 -2.911 -4.280 4.506 1.00 0.46 H new ATOM 0 HG23 ILE A 37 -3.687 -3.896 6.061 1.00 0.46 H new ATOM 0 HD11 ILE A 37 -7.635 -5.026 5.954 1.00 1.14 H new ATOM 0 HD12 ILE A 37 -6.739 -5.656 4.551 1.00 1.14 H new ATOM 0 HD13 ILE A 37 -5.916 -5.458 6.116 1.00 1.14 H new ATOM 610 N VAL A 38 -2.120 -2.094 3.549 1.00 0.36 N ATOM 611 CA VAL A 38 -0.994 -2.039 2.622 1.00 0.42 C ATOM 612 C VAL A 38 -0.054 -3.222 2.818 1.00 0.35 C ATOM 613 O VAL A 38 0.688 -3.283 3.798 1.00 0.48 O ATOM 614 CB VAL A 38 -0.181 -0.741 2.781 1.00 0.63 C ATOM 615 CG1 VAL A 38 0.710 -0.523 1.566 1.00 0.51 C ATOM 616 CG2 VAL A 38 -1.103 0.447 3.005 1.00 0.46 C ATOM 0 H VAL A 38 -1.856 -2.229 4.525 1.00 0.36 H new ATOM 0 HA VAL A 38 -1.425 -2.072 1.621 1.00 0.42 H new ATOM 0 HB VAL A 38 0.458 -0.836 3.659 1.00 0.63 H new ATOM 0 HG11 VAL A 38 1.279 0.398 1.692 1.00 0.51 H new ATOM 0 HG12 VAL A 38 1.397 -1.363 1.464 1.00 0.51 H new ATOM 0 HG13 VAL A 38 0.093 -0.448 0.671 1.00 0.51 H new ATOM 0 HG21 VAL A 38 -0.508 1.354 3.115 1.00 0.46 H new ATOM 0 HG22 VAL A 38 -1.773 0.554 2.152 1.00 0.46 H new ATOM 0 HG23 VAL A 38 -1.690 0.287 3.909 1.00 0.46 H new ATOM 626 N GLU A 39 -0.087 -4.155 1.877 1.00 0.30 N ATOM 627 CA GLU A 39 0.765 -5.335 1.940 1.00 0.33 C ATOM 628 C GLU A 39 2.061 -5.098 1.170 1.00 0.32 C ATOM 629 O GLU A 39 2.074 -4.359 0.189 1.00 0.43 O ATOM 630 CB GLU A 39 0.032 -6.543 1.356 1.00 0.42 C ATOM 631 CG GLU A 39 -1.278 -6.860 2.057 1.00 0.51 C ATOM 632 CD GLU A 39 -1.434 -8.338 2.354 1.00 0.92 C ATOM 633 OE1 GLU A 39 -1.509 -9.131 1.392 1.00 1.52 O ATOM 634 OE2 GLU A 39 -1.480 -8.703 3.547 1.00 1.67 O ATOM 0 H GLU A 39 -0.696 -4.118 1.059 1.00 0.30 H new ATOM 0 HA GLU A 39 1.007 -5.532 2.985 1.00 0.33 H new ATOM 0 HB2 GLU A 39 -0.166 -6.361 0.300 1.00 0.42 H new ATOM 0 HB3 GLU A 39 0.684 -7.415 1.412 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -1.333 -6.298 2.989 1.00 0.51 H new ATOM 0 HG3 GLU A 39 -2.109 -6.528 1.435 1.00 0.51 H new ATOM 641 N LYS A 40 3.148 -5.727 1.612 1.00 0.28 N ATOM 642 CA LYS A 40 4.434 -5.567 0.937 1.00 0.31 C ATOM 643 C LYS A 40 4.926 -6.870 0.326 1.00 0.29 C ATOM 644 O LYS A 40 4.829 -7.936 0.934 1.00 0.35 O ATOM 645 CB LYS A 40 5.531 -5.061 1.876 1.00 0.43 C ATOM 646 CG LYS A 40 5.066 -4.193 3.028 1.00 0.92 C ATOM 647 CD LYS A 40 6.229 -3.896 3.968 1.00 1.14 C ATOM 648 CE LYS A 40 7.165 -2.837 3.403 1.00 1.65 C ATOM 649 NZ LYS A 40 7.926 -3.340 2.236 1.00 1.97 N ATOM 0 H LYS A 40 3.165 -6.344 2.424 1.00 0.28 H new ATOM 0 HA LYS A 40 4.248 -4.830 0.156 1.00 0.31 H new ATOM 0 HB2 LYS A 40 6.058 -5.923 2.285 1.00 0.43 H new ATOM 0 HB3 LYS A 40 6.253 -4.495 1.288 1.00 0.43 H new ATOM 0 HG2 LYS A 40 4.651 -3.260 2.646 1.00 0.92 H new ATOM 0 HG3 LYS A 40 4.268 -4.697 3.573 1.00 0.92 H new ATOM 0 HD2 LYS A 40 5.841 -3.560 4.930 1.00 1.14 H new ATOM 0 HD3 LYS A 40 6.789 -4.813 4.153 1.00 1.14 H new ATOM 0 HE2 LYS A 40 6.587 -1.961 3.109 1.00 1.65 H new ATOM 0 HE3 LYS A 40 7.860 -2.515 4.179 1.00 1.65 H new ATOM 0 HZ1 LYS A 40 8.928 -3.078 2.336 1.00 1.97 H new ATOM 0 HZ2 LYS A 40 7.842 -4.375 2.187 1.00 1.97 H new ATOM 0 HZ3 LYS A 40 7.543 -2.920 1.365 1.00 1.97 H new ATOM 663 N ARG A 41 5.487 -6.756 -0.868 1.00 0.36 N ATOM 664 CA ARG A 41 6.042 -7.895 -1.576 1.00 0.40 C ATOM 665 C ARG A 41 7.555 -7.730 -1.653 1.00 0.41 C ATOM 666 O ARG A 41 8.069 -7.023 -2.526 1.00 0.43 O ATOM 667 CB ARG A 41 5.436 -7.997 -2.978 1.00 0.46 C ATOM 668 CG ARG A 41 5.465 -9.401 -3.572 1.00 0.58 C ATOM 669 CD ARG A 41 6.062 -9.412 -4.967 1.00 0.88 C ATOM 670 NE ARG A 41 5.062 -9.240 -6.017 1.00 0.95 N ATOM 671 CZ ARG A 41 4.216 -10.188 -6.397 1.00 1.13 C ATOM 672 NH1 ARG A 41 4.236 -11.375 -5.810 1.00 1.44 N ATOM 673 NH2 ARG A 41 3.343 -9.947 -7.365 1.00 1.44 N ATOM 0 H ARG A 41 5.569 -5.873 -1.371 1.00 0.36 H new ATOM 0 HA ARG A 41 5.803 -8.815 -1.043 1.00 0.40 H new ATOM 0 HB2 ARG A 41 4.403 -7.652 -2.941 1.00 0.46 H new ATOM 0 HB3 ARG A 41 5.974 -7.322 -3.644 1.00 0.46 H new ATOM 0 HG2 ARG A 41 6.045 -10.058 -2.924 1.00 0.58 H new ATOM 0 HG3 ARG A 41 4.452 -9.801 -3.607 1.00 0.58 H new ATOM 0 HD2 ARG A 41 6.803 -8.617 -5.045 1.00 0.88 H new ATOM 0 HD3 ARG A 41 6.587 -10.354 -5.124 1.00 0.88 H new ATOM 0 HE ARG A 41 5.011 -8.336 -6.487 1.00 0.95 H new ATOM 0 HH11 ARG A 41 4.904 -11.563 -5.062 1.00 1.44 H new ATOM 0 HH12 ARG A 41 3.583 -12.101 -6.105 1.00 1.44 H new ATOM 0 HH21 ARG A 41 3.322 -9.033 -7.817 1.00 1.44 H new ATOM 0 HH22 ARG A 41 2.692 -10.676 -7.658 1.00 1.44 H new ATOM 687 N ASP A 42 8.257 -8.366 -0.717 1.00 0.50 N ATOM 688 CA ASP A 42 9.711 -8.281 -0.659 1.00 0.57 C ATOM 689 C ASP A 42 10.341 -8.983 -1.852 1.00 0.62 C ATOM 690 O ASP A 42 10.383 -10.210 -1.915 1.00 0.91 O ATOM 691 CB ASP A 42 10.231 -8.896 0.642 1.00 0.71 C ATOM 692 CG ASP A 42 9.217 -9.815 1.293 1.00 0.93 C ATOM 693 OD1 ASP A 42 8.033 -9.772 0.894 1.00 1.49 O ATOM 694 OD2 ASP A 42 9.605 -10.579 2.201 1.00 1.59 O ATOM 0 H ASP A 42 7.840 -8.946 0.011 1.00 0.50 H new ATOM 0 HA ASP A 42 9.989 -7.228 -0.689 1.00 0.57 H new ATOM 0 HB2 ASP A 42 11.144 -9.455 0.437 1.00 0.71 H new ATOM 0 HB3 ASP A 42 10.494 -8.099 1.338 1.00 0.71 H new ATOM 699 N LEU A 43 10.828 -8.192 -2.797 1.00 0.63 N ATOM 700 CA LEU A 43 11.455 -8.736 -3.996 1.00 0.68 C ATOM 701 C LEU A 43 12.868 -9.238 -3.700 1.00 0.81 C ATOM 702 O LEU A 43 13.539 -8.728 -2.804 1.00 0.90 O ATOM 703 CB LEU A 43 11.481 -7.675 -5.095 1.00 0.62 C ATOM 704 CG LEU A 43 10.188 -6.865 -5.211 1.00 0.64 C ATOM 705 CD1 LEU A 43 10.206 -5.978 -6.444 1.00 0.80 C ATOM 706 CD2 LEU A 43 8.989 -7.796 -5.246 1.00 0.70 C ATOM 0 H LEU A 43 10.802 -7.173 -2.758 1.00 0.63 H new ATOM 0 HA LEU A 43 10.866 -9.587 -4.337 1.00 0.68 H new ATOM 0 HB2 LEU A 43 12.309 -6.992 -4.907 1.00 0.62 H new ATOM 0 HB3 LEU A 43 11.680 -8.161 -6.050 1.00 0.62 H new ATOM 0 HG LEU A 43 10.110 -6.221 -4.335 1.00 0.64 H new ATOM 0 HD11 LEU A 43 9.275 -5.414 -6.500 1.00 0.80 H new ATOM 0 HD12 LEU A 43 11.046 -5.286 -6.382 1.00 0.80 H new ATOM 0 HD13 LEU A 43 10.310 -6.596 -7.336 1.00 0.80 H new ATOM 0 HD21 LEU A 43 8.075 -7.209 -5.329 1.00 0.70 H new ATOM 0 HD22 LEU A 43 9.071 -8.463 -6.104 1.00 0.70 H new ATOM 0 HD23 LEU A 43 8.960 -8.386 -4.330 1.00 0.70 H new ATOM 718 N PRO A 44 13.343 -10.257 -4.447 1.00 0.92 N ATOM 719 CA PRO A 44 12.587 -10.898 -5.520 1.00 0.99 C ATOM 720 C PRO A 44 11.709 -12.051 -5.032 1.00 1.15 C ATOM 721 O PRO A 44 11.141 -12.789 -5.839 1.00 1.43 O ATOM 722 CB PRO A 44 13.681 -11.411 -6.459 1.00 1.15 C ATOM 723 CG PRO A 44 14.931 -11.517 -5.634 1.00 1.25 C ATOM 724 CD PRO A 44 14.670 -10.860 -4.298 1.00 1.08 C ATOM 0 HA PRO A 44 11.887 -10.206 -5.988 1.00 0.99 H new ATOM 0 HB2 PRO A 44 13.410 -12.379 -6.879 1.00 1.15 H new ATOM 0 HB3 PRO A 44 13.825 -10.729 -7.297 1.00 1.15 H new ATOM 0 HG2 PRO A 44 15.208 -12.562 -5.496 1.00 1.25 H new ATOM 0 HG3 PRO A 44 15.764 -11.030 -6.141 1.00 1.25 H new ATOM 0 HD2 PRO A 44 14.688 -11.587 -3.486 1.00 1.08 H new ATOM 0 HD3 PRO A 44 15.426 -10.108 -4.069 1.00 1.08 H new ATOM 732 N ASN A 45 11.594 -12.205 -3.714 1.00 1.14 N ATOM 733 CA ASN A 45 10.775 -13.270 -3.140 1.00 1.33 C ATOM 734 C ASN A 45 9.298 -12.871 -3.144 1.00 1.43 C ATOM 735 O ASN A 45 8.578 -13.151 -4.102 1.00 2.42 O ATOM 736 CB ASN A 45 11.238 -13.594 -1.715 1.00 1.66 C ATOM 737 CG ASN A 45 12.297 -14.678 -1.681 1.00 1.93 C ATOM 738 OD1 ASN A 45 11.984 -15.868 -1.715 1.00 2.66 O ATOM 739 ND2 ASN A 45 13.560 -14.272 -1.614 1.00 1.89 N ATOM 0 H ASN A 45 12.055 -11.609 -3.027 1.00 1.14 H new ATOM 0 HA ASN A 45 10.893 -14.164 -3.753 1.00 1.33 H new ATOM 0 HB2 ASN A 45 11.633 -12.690 -1.250 1.00 1.66 H new ATOM 0 HB3 ASN A 45 10.380 -13.910 -1.121 1.00 1.66 H new ATOM 0 HD21 ASN A 45 14.315 -14.957 -1.589 1.00 1.89 H new ATOM 0 HD22 ASN A 45 13.775 -13.275 -1.588 1.00 1.89 H new ATOM 746 N GLY A 46 8.853 -12.209 -2.077 1.00 0.90 N ATOM 747 CA GLY A 46 7.469 -11.775 -1.999 1.00 1.12 C ATOM 748 C GLY A 46 6.688 -12.437 -0.880 1.00 0.76 C ATOM 749 O GLY A 46 7.198 -13.318 -0.187 1.00 0.96 O ATOM 0 H GLY A 46 9.425 -11.967 -1.268 1.00 0.90 H new ATOM 0 HA2 GLY A 46 7.443 -10.694 -1.859 1.00 1.12 H new ATOM 0 HA3 GLY A 46 6.977 -11.985 -2.948 1.00 1.12 H new ATOM 753 N ARG A 47 5.437 -12.002 -0.704 1.00 0.80 N ATOM 754 CA ARG A 47 4.559 -12.544 0.338 1.00 0.76 C ATOM 755 C ARG A 47 3.345 -11.640 0.571 1.00 0.85 C ATOM 756 O ARG A 47 2.298 -12.103 1.026 1.00 1.71 O ATOM 757 CB ARG A 47 5.321 -12.720 1.656 1.00 0.99 C ATOM 758 CG ARG A 47 6.362 -11.642 1.911 1.00 1.31 C ATOM 759 CD ARG A 47 6.261 -11.088 3.324 1.00 1.11 C ATOM 760 NE ARG A 47 7.576 -10.843 3.909 1.00 1.41 N ATOM 761 CZ ARG A 47 7.777 -10.636 5.206 1.00 1.71 C ATOM 762 NH1 ARG A 47 6.753 -10.644 6.049 1.00 2.41 N ATOM 763 NH2 ARG A 47 9.004 -10.422 5.661 1.00 2.03 N ATOM 0 H ARG A 47 5.007 -11.272 -1.273 1.00 0.80 H new ATOM 0 HA ARG A 47 4.210 -13.517 -0.009 1.00 0.76 H new ATOM 0 HB2 ARG A 47 4.607 -12.725 2.480 1.00 0.99 H new ATOM 0 HB3 ARG A 47 5.812 -13.693 1.654 1.00 0.99 H new ATOM 0 HG2 ARG A 47 7.359 -12.053 1.751 1.00 1.31 H new ATOM 0 HG3 ARG A 47 6.232 -10.833 1.192 1.00 1.31 H new ATOM 0 HD2 ARG A 47 5.691 -10.159 3.310 1.00 1.11 H new ATOM 0 HD3 ARG A 47 5.710 -11.790 3.950 1.00 1.11 H new ATOM 0 HE ARG A 47 8.385 -10.830 3.288 1.00 1.41 H new ATOM 0 HH11 ARG A 47 5.808 -10.809 5.702 1.00 2.41 H new ATOM 0 HH12 ARG A 47 6.910 -10.485 7.044 1.00 2.41 H new ATOM 0 HH21 ARG A 47 9.794 -10.416 5.015 1.00 2.03 H new ATOM 0 HH22 ARG A 47 9.158 -10.263 6.657 1.00 2.03 H new ATOM 777 N TRP A 48 3.491 -10.354 0.265 1.00 0.50 N ATOM 778 CA TRP A 48 2.414 -9.389 0.447 1.00 0.43 C ATOM 779 C TRP A 48 1.832 -9.476 1.854 1.00 0.45 C ATOM 780 O TRP A 48 0.854 -10.187 2.089 1.00 0.65 O ATOM 781 CB TRP A 48 1.301 -9.619 -0.565 1.00 0.47 C ATOM 782 CG TRP A 48 1.721 -9.455 -1.993 1.00 0.45 C ATOM 783 CD1 TRP A 48 1.779 -10.438 -2.935 1.00 0.52 C ATOM 784 CD2 TRP A 48 2.127 -8.243 -2.653 1.00 0.39 C ATOM 785 NE1 TRP A 48 2.200 -9.918 -4.131 1.00 0.50 N ATOM 786 CE2 TRP A 48 2.419 -8.580 -3.987 1.00 0.42 C ATOM 787 CE3 TRP A 48 2.278 -6.910 -2.255 1.00 0.36 C ATOM 788 CZ2 TRP A 48 2.850 -7.646 -4.918 1.00 0.41 C ATOM 789 CZ3 TRP A 48 2.708 -5.981 -3.186 1.00 0.36 C ATOM 790 CH2 TRP A 48 2.987 -6.357 -4.505 1.00 0.38 C ATOM 0 H TRP A 48 4.351 -9.955 -0.112 1.00 0.50 H new ATOM 0 HA TRP A 48 2.840 -8.397 0.296 1.00 0.43 H new ATOM 0 HB2 TRP A 48 0.905 -10.625 -0.429 1.00 0.47 H new ATOM 0 HB3 TRP A 48 0.487 -8.925 -0.356 1.00 0.47 H new ATOM 0 HD1 TRP A 48 1.530 -11.475 -2.764 1.00 0.52 H new ATOM 0 HE1 TRP A 48 2.329 -10.448 -4.993 1.00 0.50 H new ATOM 0 HE3 TRP A 48 2.063 -6.612 -1.240 1.00 0.36 H new ATOM 0 HZ2 TRP A 48 3.069 -7.932 -5.936 1.00 0.41 H new ATOM 0 HZ3 TRP A 48 2.830 -4.950 -2.890 1.00 0.36 H new ATOM 0 HH2 TRP A 48 3.318 -5.608 -5.210 1.00 0.38 H new ATOM 801 N LEU A 49 2.429 -8.745 2.785 1.00 0.38 N ATOM 802 CA LEU A 49 1.957 -8.739 4.166 1.00 0.42 C ATOM 803 C LEU A 49 1.681 -7.316 4.644 1.00 0.36 C ATOM 804 O LEU A 49 2.535 -6.435 4.528 1.00 0.39 O ATOM 805 CB LEU A 49 2.976 -9.412 5.087 1.00 0.52 C ATOM 806 CG LEU A 49 2.456 -10.650 5.820 1.00 0.67 C ATOM 807 CD1 LEU A 49 1.536 -10.246 6.962 1.00 1.28 C ATOM 808 CD2 LEU A 49 1.736 -11.574 4.849 1.00 0.84 C ATOM 0 H LEU A 49 3.239 -8.150 2.612 1.00 0.38 H new ATOM 0 HA LEU A 49 1.024 -9.302 4.202 1.00 0.42 H new ATOM 0 HB2 LEU A 49 3.847 -9.695 4.497 1.00 0.52 H new ATOM 0 HB3 LEU A 49 3.314 -8.685 5.825 1.00 0.52 H new ATOM 0 HG LEU A 49 3.305 -11.188 6.242 1.00 0.67 H new ATOM 0 HD11 LEU A 49 1.176 -11.139 7.472 1.00 1.28 H new ATOM 0 HD12 LEU A 49 2.084 -9.622 7.667 1.00 1.28 H new ATOM 0 HD13 LEU A 49 0.688 -9.687 6.566 1.00 1.28 H new ATOM 0 HD21 LEU A 49 1.371 -12.451 5.384 1.00 0.84 H new ATOM 0 HD22 LEU A 49 0.894 -11.046 4.401 1.00 0.84 H new ATOM 0 HD23 LEU A 49 2.426 -11.888 4.066 1.00 0.84 H new ATOM 820 N LYS A 50 0.483 -7.098 5.181 1.00 0.40 N ATOM 821 CA LYS A 50 0.098 -5.781 5.674 1.00 0.40 C ATOM 822 C LYS A 50 1.119 -5.256 6.679 1.00 0.47 C ATOM 823 O LYS A 50 1.227 -5.762 7.796 1.00 0.85 O ATOM 824 CB LYS A 50 -1.294 -5.832 6.312 1.00 0.59 C ATOM 825 CG LYS A 50 -1.326 -6.526 7.663 1.00 0.72 C ATOM 826 CD LYS A 50 -2.723 -7.023 7.998 1.00 1.03 C ATOM 827 CE LYS A 50 -3.634 -5.884 8.426 1.00 0.86 C ATOM 828 NZ LYS A 50 -4.978 -6.375 8.843 1.00 1.30 N ATOM 0 H LYS A 50 -0.235 -7.815 5.285 1.00 0.40 H new ATOM 0 HA LYS A 50 0.070 -5.098 4.825 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -1.667 -4.815 6.428 1.00 0.59 H new ATOM 0 HB3 LYS A 50 -1.975 -6.346 5.634 1.00 0.59 H new ATOM 0 HG2 LYS A 50 -0.631 -7.365 7.659 1.00 0.72 H new ATOM 0 HG3 LYS A 50 -0.988 -5.836 8.436 1.00 0.72 H new ATOM 0 HD2 LYS A 50 -3.150 -7.524 7.129 1.00 1.03 H new ATOM 0 HD3 LYS A 50 -2.665 -7.763 8.796 1.00 1.03 H new ATOM 0 HE2 LYS A 50 -3.173 -5.341 9.251 1.00 0.86 H new ATOM 0 HE3 LYS A 50 -3.745 -5.178 7.603 1.00 0.86 H new ATOM 0 HZ1 LYS A 50 -5.569 -5.568 9.128 1.00 1.30 H new ATOM 0 HZ2 LYS A 50 -5.428 -6.871 8.048 1.00 1.30 H new ATOM 0 HZ3 LYS A 50 -4.875 -7.029 9.645 1.00 1.30 H new ATOM 842 N ALA A 51 1.867 -4.235 6.273 1.00 0.45 N ATOM 843 CA ALA A 51 2.879 -3.637 7.135 1.00 0.63 C ATOM 844 C ALA A 51 2.246 -2.647 8.101 1.00 0.55 C ATOM 845 O ALA A 51 2.665 -2.523 9.251 1.00 0.72 O ATOM 846 CB ALA A 51 3.942 -2.947 6.295 1.00 0.86 C ATOM 0 H ALA A 51 1.791 -3.804 5.351 1.00 0.45 H new ATOM 0 HA ALA A 51 3.349 -4.430 7.716 1.00 0.63 H new ATOM 0 HB1 ALA A 51 4.692 -2.504 6.950 1.00 0.86 H new ATOM 0 HB2 ALA A 51 4.418 -3.676 5.639 1.00 0.86 H new ATOM 0 HB3 ALA A 51 3.479 -2.165 5.693 1.00 0.86 H new ATOM 852 N ASN A 52 1.228 -1.943 7.618 1.00 0.42 N ATOM 853 CA ASN A 52 0.520 -0.957 8.422 1.00 0.43 C ATOM 854 C ASN A 52 0.147 -1.541 9.789 1.00 0.59 C ATOM 855 O ASN A 52 0.608 -1.059 10.824 1.00 1.60 O ATOM 856 CB ASN A 52 -0.718 -0.463 7.646 1.00 0.38 C ATOM 857 CG ASN A 52 -1.851 0.035 8.527 1.00 0.96 C ATOM 858 OD1 ASN A 52 -1.681 0.964 9.316 1.00 2.01 O ATOM 859 ND2 ASN A 52 -3.018 -0.590 8.396 1.00 0.62 N ATOM 0 H ASN A 52 0.874 -2.039 6.666 1.00 0.42 H new ATOM 0 HA ASN A 52 1.169 -0.102 8.611 1.00 0.43 H new ATOM 0 HB2 ASN A 52 -0.415 0.341 6.975 1.00 0.38 H new ATOM 0 HB3 ASN A 52 -1.089 -1.276 7.022 1.00 0.38 H new ATOM 0 HD21 ASN A 52 -3.816 -0.303 8.962 1.00 0.62 H new ATOM 0 HD22 ASN A 52 -3.114 -1.356 7.729 1.00 0.62 H new ATOM 866 N PHE A 53 -0.682 -2.578 9.786 1.00 0.81 N ATOM 867 CA PHE A 53 -1.100 -3.216 11.029 1.00 0.82 C ATOM 868 C PHE A 53 -1.635 -2.189 12.020 1.00 0.84 C ATOM 869 O PHE A 53 -1.413 -2.302 13.225 1.00 1.20 O ATOM 870 CB PHE A 53 0.076 -3.966 11.653 1.00 0.96 C ATOM 871 CG PHE A 53 -0.338 -5.192 12.409 1.00 1.15 C ATOM 872 CD1 PHE A 53 -1.212 -6.104 11.845 1.00 1.32 C ATOM 873 CD2 PHE A 53 0.148 -5.431 13.684 1.00 1.68 C ATOM 874 CE1 PHE A 53 -1.598 -7.234 12.537 1.00 1.66 C ATOM 875 CE2 PHE A 53 -0.233 -6.559 14.383 1.00 2.08 C ATOM 876 CZ PHE A 53 -1.108 -7.462 13.808 1.00 1.96 C ATOM 0 H PHE A 53 -1.076 -2.993 8.942 1.00 0.81 H new ATOM 0 HA PHE A 53 -1.899 -3.919 10.795 1.00 0.82 H new ATOM 0 HB2 PHE A 53 0.775 -4.251 10.867 1.00 0.96 H new ATOM 0 HB3 PHE A 53 0.610 -3.295 12.326 1.00 0.96 H new ATOM 0 HD1 PHE A 53 -1.597 -5.930 10.851 1.00 1.32 H new ATOM 0 HD2 PHE A 53 0.832 -4.728 14.136 1.00 1.68 H new ATOM 0 HE1 PHE A 53 -2.281 -7.938 12.086 1.00 1.66 H new ATOM 0 HE2 PHE A 53 0.152 -6.736 15.377 1.00 2.08 H new ATOM 0 HZ PHE A 53 -1.408 -8.345 14.352 1.00 1.96 H new ATOM 886 N SER A 54 -2.340 -1.189 11.508 1.00 0.79 N ATOM 887 CA SER A 54 -2.904 -0.143 12.350 1.00 0.89 C ATOM 888 C SER A 54 -4.247 0.325 11.805 1.00 0.95 C ATOM 889 O SER A 54 -5.301 -0.126 12.253 1.00 1.89 O ATOM 890 CB SER A 54 -1.937 1.038 12.450 1.00 1.00 C ATOM 891 OG SER A 54 -2.599 2.205 12.906 1.00 1.71 O ATOM 0 H SER A 54 -2.535 -1.080 10.513 1.00 0.79 H new ATOM 0 HA SER A 54 -3.062 -0.556 13.346 1.00 0.89 H new ATOM 0 HB2 SER A 54 -1.123 0.789 13.131 1.00 1.00 H new ATOM 0 HB3 SER A 54 -1.489 1.228 11.475 1.00 1.00 H new ATOM 0 HG SER A 54 -1.958 2.944 12.962 1.00 1.71 H new ATOM 897 N ASN A 55 -4.205 1.231 10.832 1.00 0.75 N ATOM 898 CA ASN A 55 -5.424 1.757 10.226 1.00 0.69 C ATOM 899 C ASN A 55 -5.113 2.902 9.265 1.00 0.66 C ATOM 900 O ASN A 55 -4.552 3.923 9.661 1.00 1.05 O ATOM 901 CB ASN A 55 -6.392 2.236 11.310 1.00 0.84 C ATOM 902 CG ASN A 55 -7.766 1.613 11.172 1.00 1.11 C ATOM 903 OD1 ASN A 55 -8.191 0.822 12.014 1.00 1.87 O ATOM 904 ND2 ASN A 55 -8.471 1.968 10.103 1.00 0.83 N ATOM 0 H ASN A 55 -3.342 1.615 10.447 1.00 0.75 H new ATOM 0 HA ASN A 55 -5.890 0.951 9.659 1.00 0.69 H new ATOM 0 HB2 ASN A 55 -5.983 1.994 12.291 1.00 0.84 H new ATOM 0 HB3 ASN A 55 -6.481 3.321 11.260 1.00 0.84 H new ATOM 0 HD21 ASN A 55 -9.403 1.581 9.956 1.00 0.83 H new ATOM 0 HD22 ASN A 55 -8.080 2.627 9.430 1.00 0.83 H new ATOM 911 N ILE A 56 -5.488 2.724 8.000 1.00 0.40 N ATOM 912 CA ILE A 56 -5.255 3.743 6.981 1.00 0.33 C ATOM 913 C ILE A 56 -6.543 4.493 6.661 1.00 0.31 C ATOM 914 O ILE A 56 -7.097 4.348 5.570 1.00 0.53 O ATOM 915 CB ILE A 56 -4.712 3.132 5.671 1.00 0.32 C ATOM 916 CG1 ILE A 56 -3.645 2.080 5.957 1.00 0.43 C ATOM 917 CG2 ILE A 56 -4.145 4.215 4.767 1.00 0.28 C ATOM 918 CD1 ILE A 56 -2.587 2.549 6.920 1.00 0.69 C ATOM 0 H ILE A 56 -5.954 1.884 7.657 1.00 0.40 H new ATOM 0 HA ILE A 56 -4.512 4.428 7.391 1.00 0.33 H new ATOM 0 HB ILE A 56 -5.545 2.648 5.161 1.00 0.32 H new ATOM 0 HG12 ILE A 56 -4.124 1.188 6.361 1.00 0.43 H new ATOM 0 HG13 ILE A 56 -3.170 1.790 5.020 1.00 0.43 H new ATOM 0 HG21 ILE A 56 -3.768 3.763 3.850 1.00 0.28 H new ATOM 0 HG22 ILE A 56 -4.929 4.932 4.522 1.00 0.28 H new ATOM 0 HG23 ILE A 56 -3.331 4.728 5.280 1.00 0.28 H new ATOM 0 HD11 ILE A 56 -1.860 1.752 7.079 1.00 0.69 H new ATOM 0 HD12 ILE A 56 -2.083 3.423 6.509 1.00 0.69 H new ATOM 0 HD13 ILE A 56 -3.051 2.811 7.871 1.00 0.69 H new ATOM 930 N LEU A 57 -7.022 5.295 7.607 1.00 0.44 N ATOM 931 CA LEU A 57 -8.246 6.055 7.394 1.00 0.45 C ATOM 932 C LEU A 57 -8.140 6.879 6.116 1.00 0.42 C ATOM 933 O LEU A 57 -9.054 6.891 5.293 1.00 0.60 O ATOM 934 CB LEU A 57 -8.534 6.978 8.587 1.00 0.48 C ATOM 935 CG LEU A 57 -9.984 6.978 9.113 1.00 0.85 C ATOM 936 CD1 LEU A 57 -10.331 8.341 9.695 1.00 1.60 C ATOM 937 CD2 LEU A 57 -10.986 6.603 8.025 1.00 0.72 C ATOM 0 H LEU A 57 -6.586 5.434 8.519 1.00 0.44 H new ATOM 0 HA LEU A 57 -9.070 5.348 7.297 1.00 0.45 H new ATOM 0 HB2 LEU A 57 -7.872 6.696 9.406 1.00 0.48 H new ATOM 0 HB3 LEU A 57 -8.273 7.997 8.303 1.00 0.48 H new ATOM 0 HG LEU A 57 -10.049 6.222 9.895 1.00 0.85 H new ATOM 0 HD11 LEU A 57 -11.357 8.329 10.063 1.00 1.60 H new ATOM 0 HD12 LEU A 57 -9.653 8.569 10.518 1.00 1.60 H new ATOM 0 HD13 LEU A 57 -10.232 9.103 8.922 1.00 1.60 H new ATOM 0 HD21 LEU A 57 -11.994 6.615 8.439 1.00 0.72 H new ATOM 0 HD22 LEU A 57 -10.921 7.321 7.207 1.00 0.72 H new ATOM 0 HD23 LEU A 57 -10.760 5.605 7.651 1.00 0.72 H new ATOM 949 N GLU A 58 -7.010 7.559 5.957 1.00 0.39 N ATOM 950 CA GLU A 58 -6.769 8.379 4.782 1.00 0.43 C ATOM 951 C GLU A 58 -5.894 7.625 3.792 1.00 0.51 C ATOM 952 O GLU A 58 -5.127 6.741 4.177 1.00 1.09 O ATOM 953 CB GLU A 58 -6.101 9.693 5.182 1.00 0.44 C ATOM 954 CG GLU A 58 -4.655 9.532 5.621 1.00 0.44 C ATOM 955 CD GLU A 58 -4.323 10.341 6.860 1.00 0.75 C ATOM 956 OE1 GLU A 58 -4.994 10.143 7.895 1.00 1.29 O ATOM 957 OE2 GLU A 58 -3.392 11.172 6.796 1.00 1.54 O ATOM 0 H GLU A 58 -6.245 7.556 6.632 1.00 0.39 H new ATOM 0 HA GLU A 58 -7.724 8.604 4.308 1.00 0.43 H new ATOM 0 HB2 GLU A 58 -6.141 10.383 4.339 1.00 0.44 H new ATOM 0 HB3 GLU A 58 -6.670 10.148 5.993 1.00 0.44 H new ATOM 0 HG2 GLU A 58 -4.455 8.479 5.816 1.00 0.44 H new ATOM 0 HG3 GLU A 58 -3.997 9.836 4.807 1.00 0.44 H new ATOM 964 N ASN A 59 -6.009 7.972 2.519 1.00 0.31 N ATOM 965 CA ASN A 59 -5.219 7.317 1.483 1.00 0.28 C ATOM 966 C ASN A 59 -3.733 7.661 1.612 1.00 0.28 C ATOM 967 O ASN A 59 -2.893 7.060 0.944 1.00 0.49 O ATOM 968 CB ASN A 59 -5.719 7.697 0.086 1.00 0.32 C ATOM 969 CG ASN A 59 -7.216 7.945 0.037 1.00 0.86 C ATOM 970 OD1 ASN A 59 -7.989 7.290 0.737 1.00 1.75 O ATOM 971 ND2 ASN A 59 -7.631 8.896 -0.793 1.00 0.91 N ATOM 0 H ASN A 59 -6.638 8.699 2.178 1.00 0.31 H new ATOM 0 HA ASN A 59 -5.339 6.242 1.620 1.00 0.28 H new ATOM 0 HB2 ASN A 59 -5.197 8.593 -0.249 1.00 0.32 H new ATOM 0 HB3 ASN A 59 -5.466 6.900 -0.613 1.00 0.32 H new ATOM 0 HD21 ASN A 59 -8.626 9.108 -0.869 1.00 0.91 H new ATOM 0 HD22 ASN A 59 -6.955 9.414 -1.354 1.00 0.91 H new ATOM 978 N GLU A 60 -3.412 8.622 2.479 1.00 0.29 N ATOM 979 CA GLU A 60 -2.028 9.025 2.686 1.00 0.29 C ATOM 980 C GLU A 60 -1.436 8.254 3.851 1.00 0.27 C ATOM 981 O GLU A 60 -1.652 8.604 5.012 1.00 0.35 O ATOM 982 CB GLU A 60 -1.937 10.530 2.955 1.00 0.34 C ATOM 983 CG GLU A 60 -0.539 11.001 3.315 1.00 0.49 C ATOM 984 CD GLU A 60 0.493 10.615 2.273 1.00 1.26 C ATOM 985 OE1 GLU A 60 0.258 9.629 1.543 1.00 1.91 O ATOM 986 OE2 GLU A 60 1.535 11.298 2.187 1.00 2.05 O ATOM 0 H GLU A 60 -4.091 9.131 3.045 1.00 0.29 H new ATOM 0 HA GLU A 60 -1.463 8.802 1.781 1.00 0.29 H new ATOM 0 HB2 GLU A 60 -2.276 11.070 2.071 1.00 0.34 H new ATOM 0 HB3 GLU A 60 -2.618 10.787 3.766 1.00 0.34 H new ATOM 0 HG2 GLU A 60 -0.544 12.085 3.432 1.00 0.49 H new ATOM 0 HG3 GLU A 60 -0.254 10.577 4.278 1.00 0.49 H new ATOM 993 N PHE A 61 -0.697 7.199 3.543 1.00 0.24 N ATOM 994 CA PHE A 61 -0.095 6.386 4.587 1.00 0.24 C ATOM 995 C PHE A 61 1.369 6.076 4.283 1.00 0.24 C ATOM 996 O PHE A 61 1.828 6.222 3.150 1.00 0.25 O ATOM 997 CB PHE A 61 -0.877 5.075 4.756 1.00 0.28 C ATOM 998 CG PHE A 61 -0.180 4.095 5.652 1.00 0.33 C ATOM 999 CD1 PHE A 61 -0.258 4.227 7.026 1.00 0.41 C ATOM 1000 CD2 PHE A 61 0.526 3.030 5.121 1.00 0.37 C ATOM 1001 CE1 PHE A 61 0.361 3.320 7.855 1.00 0.48 C ATOM 1002 CE2 PHE A 61 1.151 2.118 5.946 1.00 0.44 C ATOM 1003 CZ PHE A 61 1.146 2.305 7.301 1.00 0.48 C ATOM 0 H PHE A 61 -0.502 6.889 2.591 1.00 0.24 H new ATOM 0 HA PHE A 61 -0.136 6.957 5.514 1.00 0.24 H new ATOM 0 HB2 PHE A 61 -1.863 5.296 5.164 1.00 0.28 H new ATOM 0 HB3 PHE A 61 -1.031 4.620 3.777 1.00 0.28 H new ATOM 0 HD1 PHE A 61 -0.811 5.051 7.453 1.00 0.41 H new ATOM 0 HD2 PHE A 61 0.588 2.912 4.049 1.00 0.37 H new ATOM 0 HE1 PHE A 61 0.241 3.392 8.926 1.00 0.48 H new ATOM 0 HE2 PHE A 61 1.644 1.256 5.522 1.00 0.44 H new ATOM 0 HZ PHE A 61 1.745 1.672 7.939 1.00 0.48 H new ATOM 1013 N THR A 62 2.089 5.632 5.311 1.00 0.25 N ATOM 1014 CA THR A 62 3.490 5.281 5.170 1.00 0.27 C ATOM 1015 C THR A 62 3.709 3.812 5.466 1.00 0.29 C ATOM 1016 O THR A 62 3.491 3.357 6.587 1.00 0.35 O ATOM 1017 CB THR A 62 4.370 6.127 6.088 1.00 0.33 C ATOM 1018 OG1 THR A 62 4.060 7.501 5.958 1.00 0.42 O ATOM 1019 CG2 THR A 62 5.853 5.957 5.818 1.00 0.37 C ATOM 0 H THR A 62 1.718 5.508 6.253 1.00 0.25 H new ATOM 0 HA THR A 62 3.773 5.482 4.137 1.00 0.27 H new ATOM 0 HB THR A 62 4.159 5.773 7.097 1.00 0.33 H new ATOM 0 HG1 THR A 62 4.450 7.847 5.128 1.00 0.42 H new ATOM 0 HG21 THR A 62 6.422 6.585 6.504 1.00 0.37 H new ATOM 0 HG22 THR A 62 6.132 4.914 5.965 1.00 0.37 H new ATOM 0 HG23 THR A 62 6.072 6.250 4.791 1.00 0.37 H new ATOM 1027 N VAL A 63 4.151 3.069 4.458 1.00 0.31 N ATOM 1028 CA VAL A 63 4.400 1.654 4.637 1.00 0.36 C ATOM 1029 C VAL A 63 5.803 1.425 5.162 1.00 0.38 C ATOM 1030 O VAL A 63 6.768 1.384 4.397 1.00 0.50 O ATOM 1031 CB VAL A 63 4.206 0.866 3.330 1.00 0.44 C ATOM 1032 CG1 VAL A 63 4.480 -0.618 3.547 1.00 1.08 C ATOM 1033 CG2 VAL A 63 2.804 1.082 2.788 1.00 0.58 C ATOM 0 H VAL A 63 4.341 3.423 3.520 1.00 0.31 H new ATOM 0 HA VAL A 63 3.673 1.290 5.363 1.00 0.36 H new ATOM 0 HB VAL A 63 4.921 1.235 2.595 1.00 0.44 H new ATOM 0 HG11 VAL A 63 4.337 -1.155 2.610 1.00 1.08 H new ATOM 0 HG12 VAL A 63 5.506 -0.752 3.889 1.00 1.08 H new ATOM 0 HG13 VAL A 63 3.793 -1.009 4.298 1.00 1.08 H new ATOM 0 HG21 VAL A 63 2.681 0.519 1.863 1.00 0.58 H new ATOM 0 HG22 VAL A 63 2.074 0.740 3.521 1.00 0.58 H new ATOM 0 HG23 VAL A 63 2.650 2.143 2.590 1.00 0.58 H new ATOM 1043 N SER A 64 5.910 1.277 6.471 1.00 0.49 N ATOM 1044 CA SER A 64 7.196 1.048 7.095 1.00 0.55 C ATOM 1045 C SER A 64 7.534 -0.431 7.081 1.00 0.63 C ATOM 1046 O SER A 64 6.657 -1.286 6.951 1.00 0.99 O ATOM 1047 CB SER A 64 7.213 1.579 8.524 1.00 0.63 C ATOM 1048 OG SER A 64 5.933 1.480 9.123 1.00 1.33 O ATOM 0 H SER A 64 5.123 1.312 7.119 1.00 0.49 H new ATOM 0 HA SER A 64 7.950 1.588 6.522 1.00 0.55 H new ATOM 0 HB2 SER A 64 7.938 1.019 9.114 1.00 0.63 H new ATOM 0 HB3 SER A 64 7.538 2.619 8.524 1.00 0.63 H new ATOM 0 HG SER A 64 5.388 2.251 8.859 1.00 1.33 H new ATOM 1054 N GLY A 65 8.813 -0.718 7.203 1.00 0.71 N ATOM 1055 CA GLY A 65 9.273 -2.088 7.190 1.00 0.78 C ATOM 1056 C GLY A 65 10.306 -2.324 6.108 1.00 0.72 C ATOM 1057 O GLY A 65 10.923 -3.388 6.052 1.00 0.90 O ATOM 0 H GLY A 65 9.550 -0.022 7.312 1.00 0.71 H new ATOM 0 HA2 GLY A 65 9.700 -2.337 8.161 1.00 0.78 H new ATOM 0 HA3 GLY A 65 8.425 -2.755 7.035 1.00 0.78 H new ATOM 1061 N LEU A 66 10.499 -1.322 5.246 1.00 0.64 N ATOM 1062 CA LEU A 66 11.460 -1.402 4.163 1.00 0.65 C ATOM 1063 C LEU A 66 12.786 -1.987 4.639 1.00 0.59 C ATOM 1064 O LEU A 66 13.002 -2.182 5.835 1.00 0.65 O ATOM 1065 CB LEU A 66 11.689 -0.004 3.602 1.00 0.74 C ATOM 1066 CG LEU A 66 10.654 0.475 2.586 1.00 0.89 C ATOM 1067 CD1 LEU A 66 10.439 -0.569 1.507 1.00 1.47 C ATOM 1068 CD2 LEU A 66 9.335 0.826 3.252 1.00 0.89 C ATOM 0 H LEU A 66 9.991 -0.438 5.286 1.00 0.64 H new ATOM 0 HA LEU A 66 11.061 -2.060 3.391 1.00 0.65 H new ATOM 0 HB2 LEU A 66 11.712 0.702 4.432 1.00 0.74 H new ATOM 0 HB3 LEU A 66 12.673 0.024 3.133 1.00 0.74 H new ATOM 0 HG LEU A 66 11.045 1.382 2.125 1.00 0.89 H new ATOM 0 HD11 LEU A 66 9.698 -0.208 0.794 1.00 1.47 H new ATOM 0 HD12 LEU A 66 11.380 -0.756 0.989 1.00 1.47 H new ATOM 0 HD13 LEU A 66 10.084 -1.494 1.961 1.00 1.47 H new ATOM 0 HD21 LEU A 66 8.624 1.162 2.497 1.00 0.89 H new ATOM 0 HD22 LEU A 66 8.937 -0.054 3.758 1.00 0.89 H new ATOM 0 HD23 LEU A 66 9.495 1.622 3.980 1.00 0.89 H new ATOM 1080 N THR A 67 13.670 -2.258 3.693 1.00 0.65 N ATOM 1081 CA THR A 67 14.981 -2.816 4.010 1.00 0.69 C ATOM 1082 C THR A 67 16.030 -2.323 3.021 1.00 0.72 C ATOM 1083 O THR A 67 15.884 -2.492 1.810 1.00 1.06 O ATOM 1084 CB THR A 67 14.930 -4.345 4.001 1.00 0.75 C ATOM 1085 OG1 THR A 67 13.940 -4.817 4.896 1.00 0.96 O ATOM 1086 CG2 THR A 67 16.245 -4.988 4.390 1.00 0.99 C ATOM 0 H THR A 67 13.507 -2.102 2.698 1.00 0.65 H new ATOM 0 HA THR A 67 15.259 -2.480 5.009 1.00 0.69 H new ATOM 0 HB THR A 67 14.698 -4.622 2.973 1.00 0.75 H new ATOM 0 HG1 THR A 67 13.323 -5.409 4.418 1.00 0.96 H new ATOM 0 HG21 THR A 67 16.141 -6.073 4.364 1.00 0.99 H new ATOM 0 HG22 THR A 67 17.022 -4.681 3.690 1.00 0.99 H new ATOM 0 HG23 THR A 67 16.520 -4.674 5.397 1.00 0.99 H new ATOM 1094 N GLU A 68 17.086 -1.711 3.545 1.00 0.66 N ATOM 1095 CA GLU A 68 18.163 -1.188 2.713 1.00 0.67 C ATOM 1096 C GLU A 68 18.627 -2.226 1.694 1.00 0.60 C ATOM 1097 O GLU A 68 18.780 -3.405 2.017 1.00 0.69 O ATOM 1098 CB GLU A 68 19.341 -0.747 3.583 1.00 0.76 C ATOM 1099 CG GLU A 68 19.600 0.751 3.548 1.00 0.96 C ATOM 1100 CD GLU A 68 21.035 1.105 3.887 1.00 1.32 C ATOM 1101 OE1 GLU A 68 21.489 0.752 4.996 1.00 1.91 O ATOM 1102 OE2 GLU A 68 21.706 1.737 3.043 1.00 1.89 O ATOM 0 H GLU A 68 17.219 -1.565 4.546 1.00 0.66 H new ATOM 0 HA GLU A 68 17.777 -0.325 2.170 1.00 0.67 H new ATOM 0 HB2 GLU A 68 19.154 -1.050 4.613 1.00 0.76 H new ATOM 0 HB3 GLU A 68 20.239 -1.270 3.255 1.00 0.76 H new ATOM 0 HG2 GLU A 68 19.360 1.134 2.556 1.00 0.96 H new ATOM 0 HG3 GLU A 68 18.932 1.248 4.251 1.00 0.96 H new ATOM 1109 N ASP A 69 18.848 -1.776 0.463 1.00 0.52 N ATOM 1110 CA ASP A 69 19.296 -2.652 -0.612 1.00 0.49 C ATOM 1111 C ASP A 69 18.282 -3.759 -0.892 1.00 0.44 C ATOM 1112 O ASP A 69 18.649 -4.927 -1.018 1.00 0.54 O ATOM 1113 CB ASP A 69 20.656 -3.261 -0.264 1.00 0.59 C ATOM 1114 CG ASP A 69 21.630 -3.205 -1.426 1.00 1.06 C ATOM 1115 OD1 ASP A 69 21.445 -2.346 -2.314 1.00 1.87 O ATOM 1116 OD2 ASP A 69 22.578 -4.017 -1.445 1.00 1.66 O ATOM 0 H ASP A 69 18.723 -0.803 0.185 1.00 0.52 H new ATOM 0 HA ASP A 69 19.391 -2.049 -1.515 1.00 0.49 H new ATOM 0 HB2 ASP A 69 21.081 -2.731 0.588 1.00 0.59 H new ATOM 0 HB3 ASP A 69 20.519 -4.298 0.042 1.00 0.59 H new ATOM 1121 N ALA A 70 17.006 -3.389 -0.994 1.00 0.40 N ATOM 1122 CA ALA A 70 15.952 -4.359 -1.264 1.00 0.40 C ATOM 1123 C ALA A 70 14.729 -3.697 -1.885 1.00 0.35 C ATOM 1124 O ALA A 70 14.141 -2.785 -1.303 1.00 0.36 O ATOM 1125 CB ALA A 70 15.553 -5.075 0.014 1.00 0.49 C ATOM 0 H ALA A 70 16.680 -2.428 -0.894 1.00 0.40 H new ATOM 0 HA ALA A 70 16.347 -5.083 -1.977 1.00 0.40 H new ATOM 0 HB1 ALA A 70 14.765 -5.796 -0.204 1.00 0.49 H new ATOM 0 HB2 ALA A 70 16.418 -5.596 0.425 1.00 0.49 H new ATOM 0 HB3 ALA A 70 15.189 -4.348 0.740 1.00 0.49 H new ATOM 1131 N ALA A 71 14.343 -4.168 -3.066 1.00 0.33 N ATOM 1132 CA ALA A 71 13.180 -3.626 -3.751 1.00 0.30 C ATOM 1133 C ALA A 71 11.906 -4.072 -3.050 1.00 0.27 C ATOM 1134 O ALA A 71 11.776 -5.234 -2.666 1.00 0.36 O ATOM 1135 CB ALA A 71 13.174 -4.052 -5.209 1.00 0.34 C ATOM 0 H ALA A 71 14.817 -4.920 -3.565 1.00 0.33 H new ATOM 0 HA ALA A 71 13.228 -2.538 -3.719 1.00 0.30 H new ATOM 0 HB1 ALA A 71 12.297 -3.637 -5.706 1.00 0.34 H new ATOM 0 HB2 ALA A 71 14.076 -3.685 -5.699 1.00 0.34 H new ATOM 0 HB3 ALA A 71 13.145 -5.140 -5.270 1.00 0.34 H new ATOM 1141 N TYR A 72 10.974 -3.143 -2.863 1.00 0.24 N ATOM 1142 CA TYR A 72 9.726 -3.462 -2.180 1.00 0.24 C ATOM 1143 C TYR A 72 8.496 -2.964 -2.934 1.00 0.21 C ATOM 1144 O TYR A 72 8.390 -1.780 -3.253 1.00 0.23 O ATOM 1145 CB TYR A 72 9.728 -2.843 -0.786 1.00 0.30 C ATOM 1146 CG TYR A 72 10.509 -3.624 0.239 1.00 0.31 C ATOM 1147 CD1 TYR A 72 9.925 -4.693 0.897 1.00 0.49 C ATOM 1148 CD2 TYR A 72 11.821 -3.288 0.559 1.00 0.36 C ATOM 1149 CE1 TYR A 72 10.614 -5.412 1.848 1.00 0.56 C ATOM 1150 CE2 TYR A 72 12.522 -4.005 1.511 1.00 0.42 C ATOM 1151 CZ TYR A 72 11.914 -5.065 2.154 1.00 0.46 C ATOM 1152 OH TYR A 72 12.609 -5.781 3.102 1.00 0.56 O ATOM 0 H TYR A 72 11.057 -2.174 -3.171 1.00 0.24 H new ATOM 0 HA TYR A 72 9.667 -4.549 -2.125 1.00 0.24 H new ATOM 0 HB2 TYR A 72 10.140 -1.836 -0.849 1.00 0.30 H new ATOM 0 HB3 TYR A 72 8.698 -2.745 -0.443 1.00 0.30 H new ATOM 0 HD1 TYR A 72 8.908 -4.969 0.660 1.00 0.49 H new ATOM 0 HD2 TYR A 72 12.297 -2.458 0.058 1.00 0.36 H new ATOM 0 HE1 TYR A 72 10.140 -6.242 2.351 1.00 0.56 H new ATOM 0 HE2 TYR A 72 13.540 -3.737 1.751 1.00 0.42 H new ATOM 0 HH TYR A 72 13.314 -6.303 2.666 1.00 0.56 H new ATOM 1162 N GLU A 73 7.554 -3.871 -3.187 1.00 0.21 N ATOM 1163 CA GLU A 73 6.312 -3.516 -3.870 1.00 0.21 C ATOM 1164 C GLU A 73 5.174 -3.512 -2.854 1.00 0.23 C ATOM 1165 O GLU A 73 5.130 -4.373 -1.978 1.00 0.32 O ATOM 1166 CB GLU A 73 6.015 -4.503 -4.998 1.00 0.25 C ATOM 1167 CG GLU A 73 6.589 -4.086 -6.341 1.00 0.65 C ATOM 1168 CD GLU A 73 5.654 -4.396 -7.493 1.00 0.68 C ATOM 1169 OE1 GLU A 73 5.135 -5.531 -7.546 1.00 1.32 O ATOM 1170 OE2 GLU A 73 5.438 -3.504 -8.340 1.00 1.50 O ATOM 0 H GLU A 73 7.627 -4.855 -2.930 1.00 0.21 H new ATOM 0 HA GLU A 73 6.413 -2.525 -4.312 1.00 0.21 H new ATOM 0 HB2 GLU A 73 6.416 -5.480 -4.729 1.00 0.25 H new ATOM 0 HB3 GLU A 73 4.935 -4.617 -5.094 1.00 0.25 H new ATOM 0 HG2 GLU A 73 6.800 -3.017 -6.326 1.00 0.65 H new ATOM 0 HG3 GLU A 73 7.539 -4.596 -6.501 1.00 0.65 H new ATOM 1177 N PHE A 74 4.266 -2.540 -2.936 1.00 0.22 N ATOM 1178 CA PHE A 74 3.165 -2.488 -1.943 1.00 0.28 C ATOM 1179 C PHE A 74 1.765 -2.454 -2.555 1.00 0.25 C ATOM 1180 O PHE A 74 1.388 -1.485 -3.202 1.00 0.30 O ATOM 1181 CB PHE A 74 3.317 -1.278 -1.009 1.00 0.39 C ATOM 1182 CG PHE A 74 4.700 -0.708 -0.965 1.00 0.36 C ATOM 1183 CD1 PHE A 74 5.698 -1.330 -0.237 1.00 0.42 C ATOM 1184 CD2 PHE A 74 4.996 0.447 -1.657 1.00 0.52 C ATOM 1185 CE1 PHE A 74 6.974 -0.803 -0.203 1.00 0.49 C ATOM 1186 CE2 PHE A 74 6.264 0.978 -1.628 1.00 0.60 C ATOM 1187 CZ PHE A 74 7.258 0.353 -0.899 1.00 0.53 C ATOM 0 H PHE A 74 4.257 -1.803 -3.641 1.00 0.22 H new ATOM 0 HA PHE A 74 3.255 -3.421 -1.387 1.00 0.28 H new ATOM 0 HB2 PHE A 74 2.625 -0.498 -1.327 1.00 0.39 H new ATOM 0 HB3 PHE A 74 3.025 -1.572 -0.001 1.00 0.39 H new ATOM 0 HD1 PHE A 74 5.478 -2.235 0.309 1.00 0.42 H new ATOM 0 HD2 PHE A 74 4.223 0.940 -2.228 1.00 0.52 H new ATOM 0 HE1 PHE A 74 7.748 -1.295 0.367 1.00 0.49 H new ATOM 0 HE2 PHE A 74 6.483 1.883 -2.175 1.00 0.60 H new ATOM 0 HZ PHE A 74 8.254 0.769 -0.875 1.00 0.53 H new ATOM 1197 N ARG A 75 0.987 -3.516 -2.307 1.00 0.27 N ATOM 1198 CA ARG A 75 -0.389 -3.611 -2.807 1.00 0.34 C ATOM 1199 C ARG A 75 -1.388 -3.083 -1.781 1.00 0.31 C ATOM 1200 O ARG A 75 -1.244 -3.325 -0.583 1.00 0.45 O ATOM 1201 CB ARG A 75 -0.735 -5.060 -3.166 1.00 0.46 C ATOM 1202 CG ARG A 75 -1.736 -5.167 -4.306 1.00 0.94 C ATOM 1203 CD ARG A 75 -1.720 -6.537 -4.978 1.00 1.08 C ATOM 1204 NE ARG A 75 -1.274 -7.615 -4.092 1.00 0.87 N ATOM 1205 CZ ARG A 75 -1.882 -7.949 -2.955 1.00 1.39 C ATOM 1206 NH1 ARG A 75 -2.954 -7.282 -2.559 1.00 1.87 N ATOM 1207 NH2 ARG A 75 -1.424 -8.942 -2.210 1.00 2.11 N ATOM 0 H ARG A 75 1.289 -4.323 -1.761 1.00 0.27 H new ATOM 0 HA ARG A 75 -0.455 -2.995 -3.704 1.00 0.34 H new ATOM 0 HB2 ARG A 75 0.178 -5.588 -3.441 1.00 0.46 H new ATOM 0 HB3 ARG A 75 -1.140 -5.560 -2.286 1.00 0.46 H new ATOM 0 HG2 ARG A 75 -2.737 -4.966 -3.925 1.00 0.94 H new ATOM 0 HG3 ARG A 75 -1.517 -4.400 -5.049 1.00 0.94 H new ATOM 0 HD2 ARG A 75 -2.722 -6.767 -5.342 1.00 1.08 H new ATOM 0 HD3 ARG A 75 -1.066 -6.499 -5.849 1.00 1.08 H new ATOM 0 HE ARG A 75 -0.445 -8.144 -4.363 1.00 0.87 H new ATOM 0 HH11 ARG A 75 -3.314 -6.513 -3.124 1.00 1.87 H new ATOM 0 HH12 ARG A 75 -3.420 -7.537 -1.688 1.00 1.87 H new ATOM 0 HH21 ARG A 75 -0.597 -9.461 -2.504 1.00 2.11 H new ATOM 0 HH22 ARG A 75 -1.898 -9.188 -1.341 1.00 2.11 H new ATOM 1221 N VAL A 76 -2.404 -2.359 -2.256 1.00 0.32 N ATOM 1222 CA VAL A 76 -3.418 -1.810 -1.360 1.00 0.39 C ATOM 1223 C VAL A 76 -4.681 -2.671 -1.369 1.00 0.31 C ATOM 1224 O VAL A 76 -5.181 -3.062 -2.423 1.00 0.43 O ATOM 1225 CB VAL A 76 -3.797 -0.343 -1.718 1.00 0.60 C ATOM 1226 CG1 VAL A 76 -5.008 0.131 -0.917 1.00 0.47 C ATOM 1227 CG2 VAL A 76 -2.633 0.600 -1.472 1.00 0.54 C ATOM 0 H VAL A 76 -2.544 -2.143 -3.243 1.00 0.32 H new ATOM 0 HA VAL A 76 -2.977 -1.814 -0.363 1.00 0.39 H new ATOM 0 HB VAL A 76 -4.048 -0.331 -2.779 1.00 0.60 H new ATOM 0 HG11 VAL A 76 -5.246 1.159 -1.191 1.00 0.47 H new ATOM 0 HG12 VAL A 76 -5.862 -0.510 -1.136 1.00 0.47 H new ATOM 0 HG13 VAL A 76 -4.781 0.083 0.148 1.00 0.47 H new ATOM 0 HG21 VAL A 76 -2.928 1.617 -1.731 1.00 0.54 H new ATOM 0 HG22 VAL A 76 -2.349 0.561 -0.420 1.00 0.54 H new ATOM 0 HG23 VAL A 76 -1.785 0.300 -2.088 1.00 0.54 H new ATOM 1237 N ILE A 77 -5.190 -2.939 -0.177 1.00 0.33 N ATOM 1238 CA ILE A 77 -6.394 -3.718 0.005 1.00 0.31 C ATOM 1239 C ILE A 77 -7.284 -2.966 0.985 1.00 0.30 C ATOM 1240 O ILE A 77 -6.780 -2.255 1.850 1.00 0.42 O ATOM 1241 CB ILE A 77 -6.058 -5.140 0.530 1.00 0.40 C ATOM 1242 CG1 ILE A 77 -5.653 -6.043 -0.631 1.00 0.45 C ATOM 1243 CG2 ILE A 77 -7.224 -5.754 1.295 1.00 0.70 C ATOM 1244 CD1 ILE A 77 -5.292 -7.444 -0.200 1.00 0.42 C ATOM 0 H ILE A 77 -4.772 -2.617 0.696 1.00 0.33 H new ATOM 0 HA ILE A 77 -6.910 -3.848 -0.946 1.00 0.31 H new ATOM 0 HB ILE A 77 -5.224 -5.048 1.226 1.00 0.40 H new ATOM 0 HG12 ILE A 77 -6.473 -6.091 -1.348 1.00 0.45 H new ATOM 0 HG13 ILE A 77 -4.802 -5.599 -1.148 1.00 0.45 H new ATOM 0 HG21 ILE A 77 -6.946 -6.748 1.645 1.00 0.70 H new ATOM 0 HG22 ILE A 77 -7.470 -5.124 2.150 1.00 0.70 H new ATOM 0 HG23 ILE A 77 -8.091 -5.829 0.638 1.00 0.70 H new ATOM 0 HD11 ILE A 77 -5.014 -8.033 -1.074 1.00 0.42 H new ATOM 0 HD12 ILE A 77 -4.453 -7.406 0.494 1.00 0.42 H new ATOM 0 HD13 ILE A 77 -6.149 -7.906 0.291 1.00 0.42 H new ATOM 1256 N ALA A 78 -8.595 -3.099 0.861 1.00 0.27 N ATOM 1257 CA ALA A 78 -9.468 -2.382 1.777 1.00 0.30 C ATOM 1258 C ALA A 78 -10.915 -2.798 1.643 1.00 0.34 C ATOM 1259 O ALA A 78 -11.405 -3.026 0.546 1.00 0.60 O ATOM 1260 CB ALA A 78 -9.334 -0.888 1.543 1.00 0.39 C ATOM 0 H ALA A 78 -9.065 -3.674 0.162 1.00 0.27 H new ATOM 0 HA ALA A 78 -9.156 -2.633 2.791 1.00 0.30 H new ATOM 0 HB1 ALA A 78 -9.989 -0.352 2.230 1.00 0.39 H new ATOM 0 HB2 ALA A 78 -8.301 -0.584 1.714 1.00 0.39 H new ATOM 0 HB3 ALA A 78 -9.616 -0.654 0.516 1.00 0.39 H new ATOM 1266 N LYS A 79 -11.597 -2.884 2.775 1.00 0.38 N ATOM 1267 CA LYS A 79 -13.000 -3.267 2.776 1.00 0.43 C ATOM 1268 C LYS A 79 -13.893 -2.056 2.458 1.00 0.59 C ATOM 1269 O LYS A 79 -13.718 -1.426 1.414 1.00 1.31 O ATOM 1270 CB LYS A 79 -13.370 -3.931 4.109 1.00 0.56 C ATOM 1271 CG LYS A 79 -12.769 -5.312 4.297 1.00 1.07 C ATOM 1272 CD LYS A 79 -13.839 -6.332 4.660 1.00 1.50 C ATOM 1273 CE LYS A 79 -13.443 -7.140 5.885 1.00 1.71 C ATOM 1274 NZ LYS A 79 -14.553 -8.008 6.366 1.00 1.98 N ATOM 0 H LYS A 79 -11.205 -2.695 3.698 1.00 0.38 H new ATOM 0 HA LYS A 79 -13.170 -4.002 1.989 1.00 0.43 H new ATOM 0 HB2 LYS A 79 -13.042 -3.289 4.927 1.00 0.56 H new ATOM 0 HB3 LYS A 79 -14.455 -4.006 4.177 1.00 0.56 H new ATOM 0 HG2 LYS A 79 -12.265 -5.620 3.381 1.00 1.07 H new ATOM 0 HG3 LYS A 79 -12.013 -5.279 5.081 1.00 1.07 H new ATOM 0 HD2 LYS A 79 -14.782 -5.820 4.850 1.00 1.50 H new ATOM 0 HD3 LYS A 79 -14.004 -7.003 3.817 1.00 1.50 H new ATOM 0 HE2 LYS A 79 -12.577 -7.758 5.647 1.00 1.71 H new ATOM 0 HE3 LYS A 79 -13.141 -6.462 6.684 1.00 1.71 H new ATOM 0 HZ1 LYS A 79 -14.719 -7.830 7.377 1.00 1.98 H new ATOM 0 HZ2 LYS A 79 -15.418 -7.794 5.830 1.00 1.98 H new ATOM 0 HZ3 LYS A 79 -14.298 -9.007 6.227 1.00 1.98 H new ATOM 1288 N ASN A 80 -14.847 -1.724 3.331 1.00 0.65 N ATOM 1289 CA ASN A 80 -15.729 -0.596 3.089 1.00 0.70 C ATOM 1290 C ASN A 80 -16.550 -0.300 4.360 1.00 0.87 C ATOM 1291 O ASN A 80 -15.961 -0.052 5.412 1.00 1.55 O ATOM 1292 CB ASN A 80 -16.584 -0.885 1.842 1.00 0.67 C ATOM 1293 CG ASN A 80 -17.464 -2.114 1.989 1.00 1.39 C ATOM 1294 OD1 ASN A 80 -17.677 -2.614 3.094 1.00 2.19 O ATOM 1295 ND2 ASN A 80 -17.981 -2.605 0.870 1.00 2.05 N ATOM 0 H ASN A 80 -15.022 -2.221 4.204 1.00 0.65 H new ATOM 0 HA ASN A 80 -15.164 0.312 2.876 1.00 0.70 H new ATOM 0 HB2 ASN A 80 -17.213 -0.020 1.632 1.00 0.67 H new ATOM 0 HB3 ASN A 80 -15.927 -1.018 0.982 1.00 0.67 H new ATOM 0 HD21 ASN A 80 -18.581 -3.429 0.904 1.00 2.05 H new ATOM 0 HD22 ASN A 80 -17.778 -2.159 -0.024 1.00 2.05 H new ATOM 1302 N ALA A 81 -17.885 -0.320 4.299 1.00 0.76 N ATOM 1303 CA ALA A 81 -18.692 -0.048 5.480 1.00 0.82 C ATOM 1304 C ALA A 81 -19.749 -1.129 5.716 1.00 0.88 C ATOM 1305 O ALA A 81 -20.503 -1.061 6.686 1.00 1.08 O ATOM 1306 CB ALA A 81 -19.362 1.307 5.351 1.00 0.83 C ATOM 0 H ALA A 81 -18.419 -0.520 3.453 1.00 0.76 H new ATOM 0 HA ALA A 81 -18.022 -0.048 6.340 1.00 0.82 H new ATOM 0 HB1 ALA A 81 -19.963 1.502 6.239 1.00 0.83 H new ATOM 0 HB2 ALA A 81 -18.601 2.081 5.251 1.00 0.83 H new ATOM 0 HB3 ALA A 81 -20.004 1.313 4.470 1.00 0.83 H new ATOM 1312 N ALA A 82 -19.807 -2.125 4.832 1.00 0.81 N ATOM 1313 CA ALA A 82 -20.780 -3.201 4.963 1.00 0.90 C ATOM 1314 C ALA A 82 -20.111 -4.540 5.264 1.00 0.88 C ATOM 1315 O ALA A 82 -20.793 -5.552 5.432 1.00 1.06 O ATOM 1316 CB ALA A 82 -21.618 -3.305 3.700 1.00 0.94 C ATOM 0 H ALA A 82 -19.193 -2.206 4.022 1.00 0.81 H new ATOM 0 HA ALA A 82 -21.426 -2.960 5.807 1.00 0.90 H new ATOM 0 HB1 ALA A 82 -22.342 -4.113 3.809 1.00 0.94 H new ATOM 0 HB2 ALA A 82 -22.145 -2.365 3.535 1.00 0.94 H new ATOM 0 HB3 ALA A 82 -20.969 -3.512 2.849 1.00 0.94 H new ATOM 1322 N GLY A 83 -18.783 -4.552 5.336 1.00 0.82 N ATOM 1323 CA GLY A 83 -18.079 -5.788 5.622 1.00 0.86 C ATOM 1324 C GLY A 83 -17.412 -6.387 4.399 1.00 0.78 C ATOM 1325 O GLY A 83 -16.501 -7.205 4.525 1.00 0.93 O ATOM 0 H GLY A 83 -18.187 -3.735 5.203 1.00 0.82 H new ATOM 0 HA2 GLY A 83 -17.324 -5.601 6.386 1.00 0.86 H new ATOM 0 HA3 GLY A 83 -18.781 -6.511 6.037 1.00 0.86 H new ATOM 1329 N ALA A 84 -17.858 -5.983 3.212 1.00 0.72 N ATOM 1330 CA ALA A 84 -17.278 -6.496 1.974 1.00 0.78 C ATOM 1331 C ALA A 84 -15.804 -6.130 1.901 1.00 0.76 C ATOM 1332 O ALA A 84 -15.361 -5.201 2.573 1.00 1.38 O ATOM 1333 CB ALA A 84 -18.025 -5.958 0.764 1.00 0.92 C ATOM 0 H ALA A 84 -18.612 -5.308 3.082 1.00 0.72 H new ATOM 0 HA ALA A 84 -17.371 -7.582 1.969 1.00 0.78 H new ATOM 0 HB1 ALA A 84 -17.575 -6.354 -0.147 1.00 0.92 H new ATOM 0 HB2 ALA A 84 -19.070 -6.264 0.816 1.00 0.92 H new ATOM 0 HB3 ALA A 84 -17.966 -4.870 0.754 1.00 0.92 H new ATOM 1339 N ILE A 85 -15.035 -6.860 1.100 1.00 0.50 N ATOM 1340 CA ILE A 85 -13.613 -6.577 0.990 1.00 0.40 C ATOM 1341 C ILE A 85 -13.179 -6.243 -0.430 1.00 0.38 C ATOM 1342 O ILE A 85 -13.269 -7.081 -1.327 1.00 0.48 O ATOM 1343 CB ILE A 85 -12.749 -7.753 1.503 1.00 0.48 C ATOM 1344 CG1 ILE A 85 -11.300 -7.295 1.691 1.00 0.54 C ATOM 1345 CG2 ILE A 85 -12.812 -8.937 0.542 1.00 0.57 C ATOM 1346 CD1 ILE A 85 -10.670 -7.781 2.977 1.00 0.79 C ATOM 0 H ILE A 85 -15.366 -7.637 0.528 1.00 0.50 H new ATOM 0 HA ILE A 85 -13.453 -5.700 1.617 1.00 0.40 H new ATOM 0 HB ILE A 85 -13.146 -8.078 2.465 1.00 0.48 H new ATOM 0 HG12 ILE A 85 -10.705 -7.648 0.849 1.00 0.54 H new ATOM 0 HG13 ILE A 85 -11.267 -6.206 1.670 1.00 0.54 H new ATOM 0 HG21 ILE A 85 -12.196 -9.750 0.926 1.00 0.57 H new ATOM 0 HG22 ILE A 85 -13.844 -9.276 0.449 1.00 0.57 H new ATOM 0 HG23 ILE A 85 -12.441 -8.632 -0.436 1.00 0.57 H new ATOM 0 HD11 ILE A 85 -9.644 -7.417 3.040 1.00 0.79 H new ATOM 0 HD12 ILE A 85 -11.241 -7.406 3.826 1.00 0.79 H new ATOM 0 HD13 ILE A 85 -10.670 -8.871 2.993 1.00 0.79 H new ATOM 1358 N SER A 86 -12.669 -5.030 -0.623 1.00 0.39 N ATOM 1359 CA SER A 86 -12.182 -4.630 -1.931 1.00 0.45 C ATOM 1360 C SER A 86 -10.851 -5.352 -2.159 1.00 0.44 C ATOM 1361 O SER A 86 -9.866 -5.078 -1.457 1.00 0.43 O ATOM 1362 CB SER A 86 -12.017 -3.105 -2.035 1.00 0.54 C ATOM 1363 OG SER A 86 -10.658 -2.714 -1.948 1.00 0.59 O ATOM 0 H SER A 86 -12.584 -4.318 0.102 1.00 0.39 H new ATOM 0 HA SER A 86 -12.903 -4.905 -2.701 1.00 0.45 H new ATOM 0 HB2 SER A 86 -12.435 -2.758 -2.980 1.00 0.54 H new ATOM 0 HB3 SER A 86 -12.585 -2.623 -1.239 1.00 0.54 H new ATOM 0 HG SER A 86 -10.390 -2.671 -1.006 1.00 0.59 H new ATOM 1369 N PRO A 87 -10.811 -6.303 -3.113 1.00 0.52 N ATOM 1370 CA PRO A 87 -9.612 -7.098 -3.404 1.00 0.61 C ATOM 1371 C PRO A 87 -8.383 -6.276 -3.788 1.00 0.54 C ATOM 1372 O PRO A 87 -8.463 -5.067 -4.001 1.00 0.63 O ATOM 1373 CB PRO A 87 -10.045 -8.001 -4.567 1.00 0.85 C ATOM 1374 CG PRO A 87 -11.263 -7.360 -5.129 1.00 0.74 C ATOM 1375 CD PRO A 87 -11.941 -6.699 -3.968 1.00 0.59 C ATOM 0 HA PRO A 87 -9.289 -7.637 -2.514 1.00 0.61 H new ATOM 0 HB2 PRO A 87 -9.259 -8.079 -5.318 1.00 0.85 H new ATOM 0 HB3 PRO A 87 -10.257 -9.013 -4.222 1.00 0.85 H new ATOM 0 HG2 PRO A 87 -11.004 -6.632 -5.898 1.00 0.74 H new ATOM 0 HG3 PRO A 87 -11.915 -8.098 -5.596 1.00 0.74 H new ATOM 0 HD2 PRO A 87 -12.532 -5.838 -4.281 1.00 0.59 H new ATOM 0 HD3 PRO A 87 -12.618 -7.381 -3.453 1.00 0.59 H new ATOM 1383 N PRO A 88 -7.218 -6.952 -3.875 1.00 0.55 N ATOM 1384 CA PRO A 88 -5.938 -6.346 -4.225 1.00 0.56 C ATOM 1385 C PRO A 88 -6.055 -5.180 -5.197 1.00 0.48 C ATOM 1386 O PRO A 88 -6.870 -5.198 -6.120 1.00 0.68 O ATOM 1387 CB PRO A 88 -5.175 -7.511 -4.885 1.00 0.69 C ATOM 1388 CG PRO A 88 -6.002 -8.743 -4.661 1.00 0.76 C ATOM 1389 CD PRO A 88 -7.040 -8.385 -3.637 1.00 0.72 C ATOM 0 HA PRO A 88 -5.452 -5.916 -3.349 1.00 0.56 H new ATOM 0 HB2 PRO A 88 -5.033 -7.328 -5.950 1.00 0.69 H new ATOM 0 HB3 PRO A 88 -4.184 -7.624 -4.446 1.00 0.69 H new ATOM 0 HG2 PRO A 88 -6.471 -9.069 -5.590 1.00 0.76 H new ATOM 0 HG3 PRO A 88 -5.381 -9.568 -4.311 1.00 0.76 H new ATOM 0 HD2 PRO A 88 -7.966 -8.941 -3.783 1.00 0.72 H new ATOM 0 HD3 PRO A 88 -6.700 -8.591 -2.622 1.00 0.72 H new ATOM 1397 N SER A 89 -5.216 -4.170 -4.984 1.00 0.43 N ATOM 1398 CA SER A 89 -5.196 -2.991 -5.841 1.00 0.42 C ATOM 1399 C SER A 89 -3.764 -2.668 -6.262 1.00 0.35 C ATOM 1400 O SER A 89 -2.982 -2.151 -5.457 1.00 0.51 O ATOM 1401 CB SER A 89 -5.821 -1.786 -5.132 1.00 0.56 C ATOM 1402 OG SER A 89 -7.234 -1.879 -5.123 1.00 1.28 O ATOM 0 H SER A 89 -4.539 -4.146 -4.222 1.00 0.43 H new ATOM 0 HA SER A 89 -5.788 -3.208 -6.730 1.00 0.42 H new ATOM 0 HB2 SER A 89 -5.450 -1.729 -4.109 1.00 0.56 H new ATOM 0 HB3 SER A 89 -5.517 -0.867 -5.633 1.00 0.56 H new ATOM 0 HG SER A 89 -7.619 -1.036 -5.442 1.00 1.28 H new ATOM 1408 N GLU A 90 -3.454 -2.992 -7.533 1.00 0.38 N ATOM 1409 CA GLU A 90 -2.131 -2.775 -8.164 1.00 0.37 C ATOM 1410 C GLU A 90 -1.080 -2.212 -7.204 1.00 0.34 C ATOM 1411 O GLU A 90 -1.175 -1.061 -6.783 1.00 0.44 O ATOM 1412 CB GLU A 90 -2.282 -1.835 -9.362 1.00 0.49 C ATOM 1413 CG GLU A 90 -2.225 -2.543 -10.707 1.00 0.90 C ATOM 1414 CD GLU A 90 -0.849 -2.480 -11.343 1.00 1.10 C ATOM 1415 OE1 GLU A 90 0.152 -2.618 -10.609 1.00 1.77 O ATOM 1416 OE2 GLU A 90 -0.773 -2.294 -12.577 1.00 1.76 O ATOM 0 H GLU A 90 -4.129 -3.421 -8.166 1.00 0.38 H new ATOM 0 HA GLU A 90 -1.773 -3.755 -8.481 1.00 0.37 H new ATOM 0 HB2 GLU A 90 -3.232 -1.306 -9.280 1.00 0.49 H new ATOM 0 HB3 GLU A 90 -1.494 -1.083 -9.324 1.00 0.49 H new ATOM 0 HG2 GLU A 90 -2.513 -3.586 -10.577 1.00 0.90 H new ATOM 0 HG3 GLU A 90 -2.954 -2.093 -11.381 1.00 0.90 H new ATOM 1423 N PRO A 91 -0.067 -3.014 -6.834 1.00 0.30 N ATOM 1424 CA PRO A 91 0.982 -2.577 -5.908 1.00 0.29 C ATOM 1425 C PRO A 91 1.839 -1.428 -6.424 1.00 0.31 C ATOM 1426 O PRO A 91 2.017 -1.252 -7.630 1.00 0.55 O ATOM 1427 CB PRO A 91 1.851 -3.822 -5.710 1.00 0.36 C ATOM 1428 CG PRO A 91 1.025 -4.967 -6.183 1.00 0.36 C ATOM 1429 CD PRO A 91 0.133 -4.410 -7.260 1.00 0.39 C ATOM 0 HA PRO A 91 0.532 -2.189 -4.994 1.00 0.29 H new ATOM 0 HB2 PRO A 91 2.778 -3.747 -6.278 1.00 0.36 H new ATOM 0 HB3 PRO A 91 2.127 -3.944 -4.663 1.00 0.36 H new ATOM 0 HG2 PRO A 91 1.653 -5.769 -6.571 1.00 0.36 H new ATOM 0 HG3 PRO A 91 0.437 -5.389 -5.368 1.00 0.36 H new ATOM 0 HD2 PRO A 91 0.601 -4.469 -8.243 1.00 0.39 H new ATOM 0 HD3 PRO A 91 -0.811 -4.952 -7.323 1.00 0.39 H new ATOM 1437 N SER A 92 2.382 -0.662 -5.477 1.00 0.27 N ATOM 1438 CA SER A 92 3.245 0.466 -5.787 1.00 0.31 C ATOM 1439 C SER A 92 4.600 -0.043 -6.240 1.00 0.27 C ATOM 1440 O SER A 92 5.076 -1.074 -5.750 1.00 0.24 O ATOM 1441 CB SER A 92 3.405 1.384 -4.559 1.00 0.39 C ATOM 1442 OG SER A 92 4.768 1.663 -4.272 1.00 1.23 O ATOM 0 H SER A 92 2.233 -0.810 -4.479 1.00 0.27 H new ATOM 0 HA SER A 92 2.790 1.048 -6.589 1.00 0.31 H new ATOM 0 HB2 SER A 92 2.874 2.319 -4.735 1.00 0.39 H new ATOM 0 HB3 SER A 92 2.942 0.913 -3.692 1.00 0.39 H new ATOM 0 HG SER A 92 5.096 1.033 -3.597 1.00 1.23 H new ATOM 1448 N ASP A 93 5.209 0.694 -7.170 1.00 0.33 N ATOM 1449 CA ASP A 93 6.517 0.355 -7.725 1.00 0.36 C ATOM 1450 C ASP A 93 7.434 -0.287 -6.689 1.00 0.32 C ATOM 1451 O ASP A 93 7.293 -0.061 -5.487 1.00 0.56 O ATOM 1452 CB ASP A 93 7.172 1.617 -8.314 1.00 0.45 C ATOM 1453 CG ASP A 93 6.922 1.808 -9.804 1.00 0.89 C ATOM 1454 OD1 ASP A 93 7.299 0.913 -10.588 1.00 1.63 O ATOM 1455 OD2 ASP A 93 6.349 2.852 -10.180 1.00 1.55 O ATOM 0 H ASP A 93 4.806 1.546 -7.560 1.00 0.33 H new ATOM 0 HA ASP A 93 6.364 -0.381 -8.514 1.00 0.36 H new ATOM 0 HB2 ASP A 93 6.799 2.490 -7.779 1.00 0.45 H new ATOM 0 HB3 ASP A 93 8.247 1.571 -8.140 1.00 0.45 H new ATOM 1460 N ALA A 94 8.377 -1.075 -7.170 1.00 0.33 N ATOM 1461 CA ALA A 94 9.326 -1.735 -6.295 1.00 0.28 C ATOM 1462 C ALA A 94 10.475 -0.785 -5.983 1.00 0.29 C ATOM 1463 O ALA A 94 11.270 -0.453 -6.863 1.00 0.41 O ATOM 1464 CB ALA A 94 9.852 -3.002 -6.945 1.00 0.34 C ATOM 0 H ALA A 94 8.506 -1.273 -8.162 1.00 0.33 H new ATOM 0 HA ALA A 94 8.825 -2.009 -5.367 1.00 0.28 H new ATOM 0 HB1 ALA A 94 10.563 -3.486 -6.276 1.00 0.34 H new ATOM 0 HB2 ALA A 94 9.022 -3.680 -7.144 1.00 0.34 H new ATOM 0 HB3 ALA A 94 10.349 -2.751 -7.882 1.00 0.34 H new ATOM 1470 N ILE A 95 10.560 -0.338 -4.739 1.00 0.25 N ATOM 1471 CA ILE A 95 11.616 0.583 -4.346 1.00 0.28 C ATOM 1472 C ILE A 95 12.810 -0.158 -3.763 1.00 0.26 C ATOM 1473 O ILE A 95 12.724 -0.734 -2.678 1.00 0.25 O ATOM 1474 CB ILE A 95 11.115 1.622 -3.325 1.00 0.33 C ATOM 1475 CG1 ILE A 95 9.845 2.299 -3.844 1.00 0.41 C ATOM 1476 CG2 ILE A 95 12.198 2.658 -3.056 1.00 0.41 C ATOM 1477 CD1 ILE A 95 8.568 1.678 -3.322 1.00 0.44 C ATOM 0 H ILE A 95 9.917 -0.595 -3.990 1.00 0.25 H new ATOM 0 HA ILE A 95 11.927 1.103 -5.252 1.00 0.28 H new ATOM 0 HB ILE A 95 10.881 1.114 -2.390 1.00 0.33 H new ATOM 0 HG12 ILE A 95 9.866 3.353 -3.566 1.00 0.41 H new ATOM 0 HG13 ILE A 95 9.840 2.257 -4.933 1.00 0.41 H new ATOM 0 HG21 ILE A 95 11.832 3.387 -2.333 1.00 0.41 H new ATOM 0 HG22 ILE A 95 13.083 2.163 -2.657 1.00 0.41 H new ATOM 0 HG23 ILE A 95 12.454 3.166 -3.986 1.00 0.41 H new ATOM 0 HD11 ILE A 95 7.710 2.210 -3.733 1.00 0.44 H new ATOM 0 HD12 ILE A 95 8.523 0.631 -3.622 1.00 0.44 H new ATOM 0 HD13 ILE A 95 8.549 1.744 -2.234 1.00 0.44 H new ATOM 1489 N THR A 96 13.926 -0.133 -4.491 1.00 0.29 N ATOM 1490 CA THR A 96 15.149 -0.799 -4.050 1.00 0.32 C ATOM 1491 C THR A 96 15.464 -0.444 -2.605 1.00 0.32 C ATOM 1492 O THR A 96 16.045 -1.240 -1.871 1.00 0.38 O ATOM 1493 CB THR A 96 16.322 -0.404 -4.948 1.00 0.37 C ATOM 1494 OG1 THR A 96 15.964 -0.509 -6.314 1.00 0.44 O ATOM 1495 CG2 THR A 96 17.554 -1.252 -4.730 1.00 0.43 C ATOM 0 H THR A 96 14.007 0.342 -5.390 1.00 0.29 H new ATOM 0 HA THR A 96 14.993 -1.876 -4.119 1.00 0.32 H new ATOM 0 HB THR A 96 16.558 0.626 -4.679 1.00 0.37 H new ATOM 0 HG1 THR A 96 16.726 -0.251 -6.873 1.00 0.44 H new ATOM 0 HG21 THR A 96 18.348 -0.919 -5.398 1.00 0.43 H new ATOM 0 HG22 THR A 96 17.885 -1.154 -3.696 1.00 0.43 H new ATOM 0 HG23 THR A 96 17.319 -2.296 -4.938 1.00 0.43 H new ATOM 1503 N CYS A 97 15.072 0.758 -2.201 1.00 0.32 N ATOM 1504 CA CYS A 97 15.308 1.215 -0.838 1.00 0.36 C ATOM 1505 C CYS A 97 16.759 1.005 -0.434 1.00 0.43 C ATOM 1506 O CYS A 97 17.105 -0.019 0.146 1.00 0.64 O ATOM 1507 CB CYS A 97 14.387 0.466 0.121 1.00 0.38 C ATOM 1508 SG CYS A 97 12.633 0.708 -0.229 1.00 1.10 S ATOM 0 H CYS A 97 14.591 1.432 -2.796 1.00 0.32 H new ATOM 0 HA CYS A 97 15.094 2.283 -0.791 1.00 0.36 H new ATOM 0 HB2 CYS A 97 14.615 -0.599 0.074 1.00 0.38 H new ATOM 0 HB3 CYS A 97 14.594 0.792 1.140 1.00 0.38 H new ATOM 0 HG CYS A 97 12.328 0.116 -1.345 1.00 1.10 H new ATOM 1514 N ARG A 98 17.603 1.978 -0.746 1.00 0.53 N ATOM 1515 CA ARG A 98 19.020 1.895 -0.413 1.00 0.63 C ATOM 1516 C ARG A 98 19.565 3.269 -0.056 1.00 0.80 C ATOM 1517 O ARG A 98 19.619 3.642 1.116 1.00 1.04 O ATOM 1518 CB ARG A 98 19.813 1.289 -1.576 1.00 0.68 C ATOM 1519 CG ARG A 98 19.194 1.542 -2.942 1.00 0.74 C ATOM 1520 CD ARG A 98 20.249 1.892 -3.977 1.00 0.92 C ATOM 1521 NE ARG A 98 21.214 0.812 -4.163 1.00 1.64 N ATOM 1522 CZ ARG A 98 22.279 0.904 -4.952 1.00 2.31 C ATOM 1523 NH1 ARG A 98 22.514 2.022 -5.625 1.00 3.00 N ATOM 1524 NH2 ARG A 98 23.111 -0.120 -5.070 1.00 2.68 N ATOM 0 H ARG A 98 17.332 2.835 -1.229 1.00 0.53 H new ATOM 0 HA ARG A 98 19.131 1.244 0.454 1.00 0.63 H new ATOM 0 HB2 ARG A 98 20.824 1.697 -1.565 1.00 0.68 H new ATOM 0 HB3 ARG A 98 19.901 0.214 -1.421 1.00 0.68 H new ATOM 0 HG2 ARG A 98 18.647 0.656 -3.264 1.00 0.74 H new ATOM 0 HG3 ARG A 98 18.471 2.354 -2.870 1.00 0.74 H new ATOM 0 HD2 ARG A 98 19.764 2.113 -4.928 1.00 0.92 H new ATOM 0 HD3 ARG A 98 20.773 2.797 -3.669 1.00 0.92 H new ATOM 0 HE ARG A 98 21.062 -0.062 -3.659 1.00 1.64 H new ATOM 0 HH11 ARG A 98 21.877 2.813 -5.538 1.00 3.00 H new ATOM 0 HH12 ARG A 98 23.332 2.091 -6.230 1.00 3.00 H new ATOM 0 HH21 ARG A 98 22.935 -0.982 -4.554 1.00 2.68 H new ATOM 0 HH22 ARG A 98 23.928 -0.046 -5.677 1.00 2.68 H new ATOM 1538 N ASP A 99 19.957 4.020 -1.071 1.00 0.92 N ATOM 1539 CA ASP A 99 20.487 5.359 -0.869 1.00 1.20 C ATOM 1540 C ASP A 99 19.418 6.420 -1.145 1.00 1.03 C ATOM 1541 O ASP A 99 19.598 7.594 -0.820 1.00 1.20 O ATOM 1542 CB ASP A 99 21.707 5.582 -1.761 1.00 1.61 C ATOM 1543 CG ASP A 99 21.448 6.604 -2.850 1.00 1.71 C ATOM 1544 OD1 ASP A 99 20.738 6.269 -3.822 1.00 2.08 O ATOM 1545 OD2 ASP A 99 21.954 7.740 -2.732 1.00 2.14 O ATOM 0 H ASP A 99 19.918 3.725 -2.047 1.00 0.92 H new ATOM 0 HA ASP A 99 20.792 5.454 0.173 1.00 1.20 H new ATOM 0 HB2 ASP A 99 22.546 5.913 -1.149 1.00 1.61 H new ATOM 0 HB3 ASP A 99 21.998 4.636 -2.217 1.00 1.61 H new ATOM 1550 N ASP A 100 18.302 5.997 -1.737 1.00 0.85 N ATOM 1551 CA ASP A 100 17.203 6.902 -2.049 1.00 0.92 C ATOM 1552 C ASP A 100 17.659 8.050 -2.944 1.00 1.22 C ATOM 1553 O ASP A 100 16.999 9.087 -3.019 1.00 1.38 O ATOM 1554 CB ASP A 100 16.591 7.452 -0.759 1.00 0.87 C ATOM 1555 CG ASP A 100 15.174 7.959 -0.959 1.00 1.32 C ATOM 1556 OD1 ASP A 100 14.633 7.787 -2.071 1.00 2.06 O ATOM 1557 OD2 ASP A 100 14.607 8.528 -0.002 1.00 2.03 O ATOM 0 H ASP A 100 18.137 5.028 -2.010 1.00 0.85 H new ATOM 0 HA ASP A 100 16.448 6.334 -2.593 1.00 0.92 H new ATOM 0 HB2 ASP A 100 16.590 6.671 0.001 1.00 0.87 H new ATOM 0 HB3 ASP A 100 17.214 8.263 -0.382 1.00 0.87 H new