USER MOD reduce.3.24.130724 H: found=0, std=0, add=1086, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1086 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 95 ASN : amide:sc= -6.39! C(o=-6.5!,f=-7.3!) USER MOD Set 1.2: A 103 LYS NZ :NH3+ -157:sc= -0.0942 (180deg=-0.759) USER MOD Set 2.1: A 65 ASN : amide:sc= 0.275 K(o=0.31,f=-2.6) USER MOD Set 2.2: A 69 GLN : amide:sc= 0.0386 K(o=0.31,f=-1.4) USER MOD Set 3.1: A 13 ASN : amide:sc= 0.127 K(o=1.1,f=-0.69) USER MOD Set 3.2: A 46 TYR OH : rot 164:sc= 0.958 USER MOD Set 4.1: A 9 THR OG1 : rot 67:sc= 1.25 USER MOD Set 4.2: A 42 MET CE :methyl -167:sc= -0.536 (180deg=-0.952) USER MOD Single : A 5 SER OG : rot 17:sc= 0.431 USER MOD Single : A 7 GLN : amide:sc= -0.0869 K(o=-0.087,f=-2!) USER MOD Single : A 10 THR OG1 : rot 80:sc= 1.23 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -72:sc= 1.11 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 SER OG : rot 180:sc= -0.24 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 176:sc= 1.14 (180deg=1.01) USER MOD Single : A 47 MET CE :methyl -118:sc= -1.38 (180deg=-6.3!) USER MOD Single : A 51 SER OG : rot 180:sc= 0.112 USER MOD Single : A 53 ASN : amide:sc= -0.318 K(o=-0.32,f=-2.2) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0818 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -144:sc= -0.73 (180deg=-3.98!) USER MOD Single : A 66 HIS : no HD1:sc= -0.308 X(o=-0.31,f=-0.16) USER MOD Single : A 70 GLN : amide:sc= -0.221 X(o=-0.22,f=-0.22) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.449 K(o=-0.45,f=-1.2) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -0.246 X(o=-0.25,f=-0.023) USER MOD Single : A 80 GLN : amide:sc= -3.78 K(o=-3.8,f=-7.1!) USER MOD Single : A 82 SER OG : rot -39:sc= 0.0702 USER MOD Single : A 85 LYS NZ :NH3+ -129:sc= 0 (180deg=-0.433) USER MOD Single : A 96 GLN : amide:sc= 1.17 K(o=1.2,f=-0.007) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 172:sc= -0.159 (180deg=-0.295) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -0.367 X(o=-0.37,f=0) USER MOD Single : A 114 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.0298) USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 125 ASN :FLIP amide:sc= -0.296 F(o=-1,f=-0.3) USER MOD Single : A 130 SER OG : rot -75:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 42 N SER A 5 1.084 -6.534 1.742 1.00 23.23 N ATOM 43 CA SER A 5 0.697 -6.510 3.148 1.00 75.52 C ATOM 44 C SER A 5 0.572 -7.927 3.701 1.00 53.11 C ATOM 45 O SER A 5 0.702 -8.148 4.904 1.00 12.23 O ATOM 46 CB SER A 5 -0.628 -5.765 3.321 1.00 51.23 C ATOM 47 OG SER A 5 -0.696 -4.640 2.461 1.00 10.15 O ATOM 0 HA SER A 5 1.475 -5.988 3.705 1.00 75.52 H new ATOM 0 HB2 SER A 5 -1.458 -6.439 3.110 1.00 51.23 H new ATOM 0 HB3 SER A 5 -0.735 -5.442 4.357 1.00 51.23 H new ATOM 0 HG SER A 5 -0.013 -4.720 1.763 1.00 10.15 H new ATOM 53 N GLU A 6 0.319 -8.882 2.812 1.00 74.41 N ATOM 54 CA GLU A 6 0.175 -10.278 3.211 1.00 2.41 C ATOM 55 C GLU A 6 1.465 -10.799 3.839 1.00 34.01 C ATOM 56 O GLU A 6 1.432 -11.596 4.777 1.00 54.35 O ATOM 57 CB GLU A 6 -0.203 -11.140 2.005 1.00 64.00 C ATOM 58 CG GLU A 6 -0.624 -12.552 2.375 1.00 64.44 C ATOM 59 CD GLU A 6 -1.069 -13.362 1.172 1.00 0.13 C ATOM 60 OE1 GLU A 6 -0.257 -13.536 0.240 1.00 61.40 O ATOM 61 OE2 GLU A 6 -2.230 -13.821 1.164 1.00 34.23 O ATOM 0 H GLU A 6 0.210 -8.715 1.812 1.00 74.41 H new ATOM 0 HA GLU A 6 -0.621 -10.337 3.954 1.00 2.41 H new ATOM 0 HB2 GLU A 6 -1.017 -10.657 1.465 1.00 64.00 H new ATOM 0 HB3 GLU A 6 0.647 -11.190 1.324 1.00 64.00 H new ATOM 0 HG2 GLU A 6 0.209 -13.059 2.862 1.00 64.44 H new ATOM 0 HG3 GLU A 6 -1.438 -12.507 3.099 1.00 64.44 H new ATOM 68 N GLN A 7 2.598 -10.344 3.315 1.00 53.54 N ATOM 69 CA GLN A 7 3.898 -10.765 3.823 1.00 52.12 C ATOM 70 C GLN A 7 4.119 -10.254 5.243 1.00 73.31 C ATOM 71 O GLN A 7 4.440 -11.025 6.148 1.00 41.13 O ATOM 72 CB GLN A 7 5.015 -10.261 2.907 1.00 14.33 C ATOM 73 CG GLN A 7 5.422 -11.261 1.837 1.00 4.25 C ATOM 74 CD GLN A 7 6.440 -12.267 2.337 1.00 64.02 C ATOM 75 OE1 GLN A 7 7.116 -12.038 3.340 1.00 3.22 O ATOM 76 NE2 GLN A 7 6.555 -13.390 1.638 1.00 62.14 N ATOM 0 H GLN A 7 2.642 -9.684 2.539 1.00 53.54 H new ATOM 0 HA GLN A 7 3.917 -11.855 3.841 1.00 52.12 H new ATOM 0 HB2 GLN A 7 4.690 -9.338 2.426 1.00 14.33 H new ATOM 0 HB3 GLN A 7 5.887 -10.015 3.513 1.00 14.33 H new ATOM 0 HG2 GLN A 7 4.537 -11.790 1.484 1.00 4.25 H new ATOM 0 HG3 GLN A 7 5.835 -10.725 0.982 1.00 4.25 H new ATOM 0 HE21 GLN A 7 5.974 -13.539 0.813 1.00 62.14 H new ATOM 0 HE22 GLN A 7 7.224 -14.104 1.926 1.00 62.14 H new ATOM 85 N PHE A 8 3.945 -8.950 5.431 1.00 33.43 N ATOM 86 CA PHE A 8 4.126 -8.336 6.741 1.00 24.33 C ATOM 87 C PHE A 8 3.203 -8.976 7.774 1.00 2.55 C ATOM 88 O PHE A 8 3.600 -9.217 8.915 1.00 44.01 O ATOM 89 CB PHE A 8 3.860 -6.832 6.664 1.00 13.42 C ATOM 90 CG PHE A 8 4.175 -6.101 7.938 1.00 42.21 C ATOM 91 CD1 PHE A 8 5.391 -6.286 8.575 1.00 5.33 C ATOM 92 CD2 PHE A 8 3.255 -5.229 8.498 1.00 21.42 C ATOM 93 CE1 PHE A 8 5.685 -5.614 9.747 1.00 21.54 C ATOM 94 CE2 PHE A 8 3.543 -4.555 9.670 1.00 63.13 C ATOM 95 CZ PHE A 8 4.759 -4.749 10.296 1.00 42.22 C ATOM 0 H PHE A 8 3.679 -8.298 4.693 1.00 33.43 H new ATOM 0 HA PHE A 8 5.158 -8.499 7.052 1.00 24.33 H new ATOM 0 HB2 PHE A 8 4.454 -6.407 5.855 1.00 13.42 H new ATOM 0 HB3 PHE A 8 2.812 -6.669 6.411 1.00 13.42 H new ATOM 0 HD1 PHE A 8 6.118 -6.963 8.151 1.00 5.33 H new ATOM 0 HD2 PHE A 8 2.302 -5.074 8.013 1.00 21.42 H new ATOM 0 HE1 PHE A 8 6.638 -5.765 10.233 1.00 21.54 H new ATOM 0 HE2 PHE A 8 2.818 -3.877 10.096 1.00 63.13 H new ATOM 0 HZ PHE A 8 4.985 -4.225 11.213 1.00 42.22 H new ATOM 105 N THR A 9 1.967 -9.247 7.367 1.00 22.32 N ATOM 106 CA THR A 9 0.986 -9.856 8.256 1.00 21.42 C ATOM 107 C THR A 9 1.331 -11.314 8.539 1.00 73.20 C ATOM 108 O THR A 9 1.393 -11.736 9.694 1.00 33.04 O ATOM 109 CB THR A 9 -0.433 -9.782 7.662 1.00 71.22 C ATOM 110 OG1 THR A 9 -0.701 -8.455 7.196 1.00 5.35 O ATOM 111 CG2 THR A 9 -1.475 -10.182 8.696 1.00 5.11 C ATOM 0 H THR A 9 1.622 -9.054 6.427 1.00 22.32 H new ATOM 0 HA THR A 9 1.011 -9.292 9.188 1.00 21.42 H new ATOM 0 HB THR A 9 -0.489 -10.478 6.825 1.00 71.22 H new ATOM 0 HG1 THR A 9 -0.126 -8.256 6.428 1.00 5.35 H new ATOM 0 HG21 THR A 9 -2.469 -10.122 8.253 1.00 5.11 H new ATOM 0 HG22 THR A 9 -1.286 -11.203 9.026 1.00 5.11 H new ATOM 0 HG23 THR A 9 -1.417 -9.508 9.550 1.00 5.11 H new ATOM 119 N THR A 10 1.555 -12.081 7.477 1.00 63.34 N ATOM 120 CA THR A 10 1.893 -13.493 7.611 1.00 44.42 C ATOM 121 C THR A 10 3.133 -13.681 8.477 1.00 5.12 C ATOM 122 O THR A 10 3.249 -14.664 9.209 1.00 13.15 O ATOM 123 CB THR A 10 2.137 -14.145 6.237 1.00 42.12 C ATOM 124 OG1 THR A 10 0.951 -14.063 5.438 1.00 5.22 O ATOM 125 CG2 THR A 10 2.549 -15.601 6.394 1.00 13.14 C ATOM 0 H THR A 10 1.508 -11.748 6.514 1.00 63.34 H new ATOM 0 HA THR A 10 1.042 -13.978 8.089 1.00 44.42 H new ATOM 0 HB THR A 10 2.946 -13.607 5.743 1.00 42.12 H new ATOM 0 HG1 THR A 10 0.883 -13.168 5.044 1.00 5.22 H new ATOM 0 HG21 THR A 10 2.716 -16.040 5.410 1.00 13.14 H new ATOM 0 HG22 THR A 10 3.468 -15.658 6.977 1.00 13.14 H new ATOM 0 HG23 THR A 10 1.759 -16.149 6.907 1.00 13.14 H new ATOM 133 N LYS A 11 4.060 -12.732 8.390 1.00 31.41 N ATOM 134 CA LYS A 11 5.292 -12.792 9.168 1.00 51.13 C ATOM 135 C LYS A 11 5.034 -12.424 10.625 1.00 34.13 C ATOM 136 O LYS A 11 5.471 -13.124 11.540 1.00 44.33 O ATOM 137 CB LYS A 11 6.341 -11.851 8.571 1.00 25.25 C ATOM 138 CG LYS A 11 7.019 -12.405 7.330 1.00 51.52 C ATOM 139 CD LYS A 11 8.228 -13.253 7.685 1.00 4.35 C ATOM 140 CE LYS A 11 7.831 -14.688 7.995 1.00 62.03 C ATOM 141 NZ LYS A 11 8.940 -15.642 7.717 1.00 20.51 N ATOM 0 H LYS A 11 3.981 -11.912 7.788 1.00 31.41 H new ATOM 0 HA LYS A 11 5.667 -13.815 9.132 1.00 51.13 H new ATOM 0 HB2 LYS A 11 5.866 -10.902 8.322 1.00 25.25 H new ATOM 0 HB3 LYS A 11 7.099 -11.640 9.325 1.00 25.25 H new ATOM 0 HG2 LYS A 11 6.307 -13.005 6.763 1.00 51.52 H new ATOM 0 HG3 LYS A 11 7.328 -11.582 6.685 1.00 51.52 H new ATOM 0 HD2 LYS A 11 8.937 -13.241 6.858 1.00 4.35 H new ATOM 0 HD3 LYS A 11 8.736 -12.821 8.547 1.00 4.35 H new ATOM 0 HE2 LYS A 11 7.539 -14.766 9.042 1.00 62.03 H new ATOM 0 HE3 LYS A 11 6.960 -14.961 7.400 1.00 62.03 H new ATOM 0 HZ1 LYS A 11 8.630 -16.609 7.941 1.00 20.51 H new ATOM 0 HZ2 LYS A 11 9.202 -15.586 6.712 1.00 20.51 H new ATOM 0 HZ3 LYS A 11 9.763 -15.398 8.304 1.00 20.51 H new ATOM 155 N LEU A 12 4.320 -11.324 10.835 1.00 14.23 N ATOM 156 CA LEU A 12 4.001 -10.864 12.183 1.00 44.23 C ATOM 157 C LEU A 12 3.240 -11.934 12.958 1.00 71.21 C ATOM 158 O LEU A 12 3.468 -12.131 14.151 1.00 61.04 O ATOM 159 CB LEU A 12 3.176 -9.578 12.122 1.00 53.51 C ATOM 160 CG LEU A 12 3.953 -8.294 11.829 1.00 3.10 C ATOM 161 CD1 LEU A 12 3.005 -7.176 11.423 1.00 62.42 C ATOM 162 CD2 LEU A 12 4.778 -7.882 13.040 1.00 64.24 C ATOM 0 H LEU A 12 3.951 -10.734 10.090 1.00 14.23 H new ATOM 0 HA LEU A 12 4.938 -10.663 12.703 1.00 44.23 H new ATOM 0 HB2 LEU A 12 2.410 -9.698 11.356 1.00 53.51 H new ATOM 0 HB3 LEU A 12 2.659 -9.457 13.074 1.00 53.51 H new ATOM 0 HG LEU A 12 4.633 -8.485 10.999 1.00 3.10 H new ATOM 0 HD11 LEU A 12 3.577 -6.271 11.219 1.00 62.42 H new ATOM 0 HD12 LEU A 12 2.458 -7.470 10.527 1.00 62.42 H new ATOM 0 HD13 LEU A 12 2.300 -6.985 12.232 1.00 62.42 H new ATOM 0 HD21 LEU A 12 5.324 -6.966 12.814 1.00 64.24 H new ATOM 0 HD22 LEU A 12 4.117 -7.709 13.889 1.00 64.24 H new ATOM 0 HD23 LEU A 12 5.485 -8.675 13.286 1.00 64.24 H new ATOM 174 N ASN A 13 2.336 -12.625 12.271 1.00 53.43 N ATOM 175 CA ASN A 13 1.542 -13.677 12.894 1.00 15.25 C ATOM 176 C ASN A 13 2.398 -14.905 13.185 1.00 63.45 C ATOM 177 O ASN A 13 2.088 -15.697 14.076 1.00 50.14 O ATOM 178 CB ASN A 13 0.367 -14.061 11.992 1.00 65.41 C ATOM 179 CG ASN A 13 -0.828 -13.147 12.177 1.00 30.02 C ATOM 180 OD1 ASN A 13 -1.314 -12.961 13.293 1.00 41.41 O ATOM 181 ND2 ASN A 13 -1.308 -12.572 11.081 1.00 52.31 N ATOM 0 H ASN A 13 2.135 -12.475 11.282 1.00 53.43 H new ATOM 0 HA ASN A 13 1.155 -13.294 13.839 1.00 15.25 H new ATOM 0 HB2 ASN A 13 0.687 -14.030 10.950 1.00 65.41 H new ATOM 0 HB3 ASN A 13 0.071 -15.088 12.204 1.00 65.41 H new ATOM 0 HD21 ASN A 13 -2.112 -11.947 11.143 1.00 52.31 H new ATOM 0 HD22 ASN A 13 -0.873 -12.755 10.177 1.00 52.31 H new ATOM 188 N THR A 14 3.479 -15.059 12.426 1.00 4.11 N ATOM 189 CA THR A 14 4.381 -16.190 12.601 1.00 61.54 C ATOM 190 C THR A 14 5.691 -15.755 13.248 1.00 72.12 C ATOM 191 O THR A 14 6.705 -16.447 13.147 1.00 41.32 O ATOM 192 CB THR A 14 4.689 -16.876 11.256 1.00 40.10 C ATOM 193 OG1 THR A 14 5.285 -15.938 10.353 1.00 25.02 O ATOM 194 CG2 THR A 14 3.422 -17.448 10.637 1.00 3.34 C ATOM 0 H THR A 14 3.751 -14.414 11.684 1.00 4.11 H new ATOM 0 HA THR A 14 3.874 -16.899 13.255 1.00 61.54 H new ATOM 0 HB THR A 14 5.385 -17.694 11.442 1.00 40.10 H new ATOM 0 HG1 THR A 14 4.607 -15.297 10.052 1.00 25.02 H new ATOM 0 HG21 THR A 14 3.665 -17.927 9.688 1.00 3.34 H new ATOM 0 HG22 THR A 14 2.986 -18.183 11.314 1.00 3.34 H new ATOM 0 HG23 THR A 14 2.706 -16.644 10.465 1.00 3.34 H new ATOM 202 N LEU A 15 5.663 -14.606 13.913 1.00 10.32 N ATOM 203 CA LEU A 15 6.849 -14.078 14.579 1.00 41.04 C ATOM 204 C LEU A 15 7.034 -14.718 15.951 1.00 71.23 C ATOM 205 O LEU A 15 6.077 -14.866 16.710 1.00 24.34 O ATOM 206 CB LEU A 15 6.744 -12.559 14.722 1.00 10.31 C ATOM 207 CG LEU A 15 7.486 -11.732 13.671 1.00 75.33 C ATOM 208 CD1 LEU A 15 7.244 -10.247 13.892 1.00 63.14 C ATOM 209 CD2 LEU A 15 8.975 -12.043 13.701 1.00 11.03 C ATOM 0 H LEU A 15 4.832 -14.022 14.006 1.00 10.32 H new ATOM 0 HA LEU A 15 7.717 -14.320 13.966 1.00 41.04 H new ATOM 0 HB2 LEU A 15 5.690 -12.284 14.694 1.00 10.31 H new ATOM 0 HB3 LEU A 15 7.120 -12.280 15.706 1.00 10.31 H new ATOM 0 HG LEU A 15 7.100 -11.999 12.687 1.00 75.33 H new ATOM 0 HD11 LEU A 15 7.780 -9.674 13.135 1.00 63.14 H new ATOM 0 HD12 LEU A 15 6.177 -10.037 13.818 1.00 63.14 H new ATOM 0 HD13 LEU A 15 7.602 -9.963 14.882 1.00 63.14 H new ATOM 0 HD21 LEU A 15 9.487 -11.445 12.947 1.00 11.03 H new ATOM 0 HD22 LEU A 15 9.377 -11.805 14.686 1.00 11.03 H new ATOM 0 HD23 LEU A 15 9.130 -13.101 13.492 1.00 11.03 H new ATOM 221 N GLU A 16 8.271 -15.094 16.261 1.00 11.31 N ATOM 222 CA GLU A 16 8.580 -15.717 17.543 1.00 44.53 C ATOM 223 C GLU A 16 9.636 -14.914 18.297 1.00 44.41 C ATOM 224 O GLU A 16 10.109 -13.883 17.816 1.00 33.32 O ATOM 225 CB GLU A 16 9.069 -17.151 17.333 1.00 75.51 C ATOM 226 CG GLU A 16 8.142 -17.989 16.468 1.00 72.30 C ATOM 227 CD GLU A 16 8.714 -19.359 16.156 1.00 0.54 C ATOM 228 OE1 GLU A 16 9.562 -19.453 15.245 1.00 42.25 O ATOM 229 OE2 GLU A 16 8.314 -20.335 16.824 1.00 70.24 O ATOM 0 H GLU A 16 9.074 -14.978 15.643 1.00 11.31 H new ATOM 0 HA GLU A 16 7.667 -15.735 18.139 1.00 44.53 H new ATOM 0 HB2 GLU A 16 10.057 -17.125 16.873 1.00 75.51 H new ATOM 0 HB3 GLU A 16 9.181 -17.634 18.304 1.00 75.51 H new ATOM 0 HG2 GLU A 16 7.185 -18.106 16.976 1.00 72.30 H new ATOM 0 HG3 GLU A 16 7.945 -17.461 15.535 1.00 72.30 H new ATOM 236 N ASP A 17 10.001 -15.393 19.481 1.00 1.30 N ATOM 237 CA ASP A 17 11.001 -14.721 20.303 1.00 43.14 C ATOM 238 C ASP A 17 12.399 -15.249 19.997 1.00 24.43 C ATOM 239 O ASP A 17 12.888 -16.163 20.663 1.00 54.50 O ATOM 240 CB ASP A 17 10.684 -14.910 21.787 1.00 51.03 C ATOM 241 CG ASP A 17 10.476 -16.366 22.153 1.00 21.34 C ATOM 242 OD1 ASP A 17 9.483 -16.960 21.684 1.00 12.22 O ATOM 243 OD2 ASP A 17 11.306 -16.912 22.910 1.00 23.32 O ATOM 0 H ASP A 17 9.619 -16.244 19.893 1.00 1.30 H new ATOM 0 HA ASP A 17 10.974 -13.657 20.067 1.00 43.14 H new ATOM 0 HB2 ASP A 17 11.499 -14.501 22.385 1.00 51.03 H new ATOM 0 HB3 ASP A 17 9.788 -14.343 22.039 1.00 51.03 H new ATOM 248 N SER A 18 13.038 -14.670 18.986 1.00 51.21 N ATOM 249 CA SER A 18 14.378 -15.086 18.589 1.00 50.30 C ATOM 250 C SER A 18 15.187 -13.897 18.079 1.00 71.03 C ATOM 251 O SER A 18 14.723 -13.137 17.229 1.00 4.12 O ATOM 252 CB SER A 18 14.301 -16.166 17.508 1.00 14.14 C ATOM 253 OG SER A 18 14.442 -17.460 18.069 1.00 1.54 O ATOM 0 H SER A 18 12.649 -13.911 18.426 1.00 51.21 H new ATOM 0 HA SER A 18 14.879 -15.495 19.466 1.00 50.30 H new ATOM 0 HB2 SER A 18 13.347 -16.095 16.986 1.00 14.14 H new ATOM 0 HB3 SER A 18 15.083 -16.000 16.767 1.00 14.14 H new ATOM 0 HG SER A 18 14.388 -18.132 17.358 1.00 1.54 H new ATOM 259 N GLN A 19 16.398 -13.744 18.604 1.00 22.41 N ATOM 260 CA GLN A 19 17.272 -12.648 18.203 1.00 72.12 C ATOM 261 C GLN A 19 17.408 -12.588 16.685 1.00 61.41 C ATOM 262 O GLN A 19 17.471 -11.507 16.101 1.00 73.34 O ATOM 263 CB GLN A 19 18.651 -12.806 18.845 1.00 62.13 C ATOM 264 CG GLN A 19 18.749 -12.196 20.234 1.00 62.52 C ATOM 265 CD GLN A 19 19.235 -10.761 20.208 1.00 5.22 C ATOM 266 OE1 GLN A 19 20.430 -10.495 20.347 1.00 72.21 O ATOM 267 NE2 GLN A 19 18.310 -9.825 20.030 1.00 62.21 N ATOM 0 H GLN A 19 16.796 -14.365 19.308 1.00 22.41 H new ATOM 0 HA GLN A 19 16.824 -11.715 18.546 1.00 72.12 H new ATOM 0 HB2 GLN A 19 18.895 -13.867 18.905 1.00 62.13 H new ATOM 0 HB3 GLN A 19 19.398 -12.343 18.200 1.00 62.13 H new ATOM 0 HG2 GLN A 19 17.771 -12.236 20.714 1.00 62.52 H new ATOM 0 HG3 GLN A 19 19.427 -12.794 20.842 1.00 62.52 H new ATOM 0 HE21 GLN A 19 17.331 -10.090 19.919 1.00 62.21 H new ATOM 0 HE22 GLN A 19 18.578 -8.841 20.004 1.00 62.21 H new ATOM 276 N GLU A 20 17.454 -13.757 16.053 1.00 34.22 N ATOM 277 CA GLU A 20 17.584 -13.836 14.603 1.00 32.40 C ATOM 278 C GLU A 20 16.262 -13.499 13.919 1.00 42.01 C ATOM 279 O GLU A 20 16.243 -12.929 12.828 1.00 65.21 O ATOM 280 CB GLU A 20 18.044 -15.235 14.186 1.00 43.33 C ATOM 281 CG GLU A 20 19.552 -15.416 14.226 1.00 44.05 C ATOM 282 CD GLU A 20 20.047 -16.417 13.200 1.00 71.23 C ATOM 283 OE1 GLU A 20 19.415 -17.485 13.060 1.00 65.40 O ATOM 284 OE2 GLU A 20 21.066 -16.132 12.536 1.00 11.24 O ATOM 0 H GLU A 20 17.403 -14.661 16.522 1.00 34.22 H new ATOM 0 HA GLU A 20 18.331 -13.107 14.290 1.00 32.40 H new ATOM 0 HB2 GLU A 20 17.580 -15.972 14.842 1.00 43.33 H new ATOM 0 HB3 GLU A 20 17.688 -15.439 13.176 1.00 43.33 H new ATOM 0 HG2 GLU A 20 20.034 -14.454 14.052 1.00 44.05 H new ATOM 0 HG3 GLU A 20 19.848 -15.745 15.222 1.00 44.05 H new ATOM 291 N SER A 21 15.159 -13.856 14.568 1.00 14.41 N ATOM 292 CA SER A 21 13.832 -13.595 14.021 1.00 21.13 C ATOM 293 C SER A 21 13.591 -12.096 13.871 1.00 21.14 C ATOM 294 O SER A 21 13.119 -11.633 12.832 1.00 23.34 O ATOM 295 CB SER A 21 12.757 -14.209 14.921 1.00 41.54 C ATOM 296 OG SER A 21 12.670 -15.610 14.728 1.00 12.20 O ATOM 0 H SER A 21 15.157 -14.327 15.473 1.00 14.41 H new ATOM 0 HA SER A 21 13.776 -14.054 13.034 1.00 21.13 H new ATOM 0 HB2 SER A 21 12.987 -13.996 15.965 1.00 41.54 H new ATOM 0 HB3 SER A 21 11.792 -13.749 14.707 1.00 41.54 H new ATOM 0 HG SER A 21 11.978 -15.979 15.315 1.00 12.20 H new ATOM 302 N ILE A 22 13.918 -11.343 14.916 1.00 24.32 N ATOM 303 CA ILE A 22 13.739 -9.897 14.901 1.00 11.11 C ATOM 304 C ILE A 22 14.522 -9.258 13.760 1.00 43.44 C ATOM 305 O ILE A 22 14.025 -8.361 13.078 1.00 65.33 O ATOM 306 CB ILE A 22 14.181 -9.261 16.232 1.00 5.30 C ATOM 307 CG1 ILE A 22 13.442 -9.910 17.404 1.00 63.44 C ATOM 308 CG2 ILE A 22 13.934 -7.760 16.210 1.00 44.34 C ATOM 309 CD1 ILE A 22 11.954 -9.640 17.404 1.00 41.41 C ATOM 0 H ILE A 22 14.308 -11.711 15.784 1.00 24.32 H new ATOM 0 HA ILE A 22 12.675 -9.712 14.756 1.00 11.11 H new ATOM 0 HB ILE A 22 15.250 -9.432 16.361 1.00 5.30 H new ATOM 0 HG12 ILE A 22 13.608 -10.987 17.376 1.00 63.44 H new ATOM 0 HG13 ILE A 22 13.869 -9.546 18.339 1.00 63.44 H new ATOM 0 HG21 ILE A 22 14.252 -7.325 17.158 1.00 44.34 H new ATOM 0 HG22 ILE A 22 14.502 -7.310 15.396 1.00 44.34 H new ATOM 0 HG23 ILE A 22 12.871 -7.568 16.061 1.00 44.34 H new ATOM 0 HD11 ILE A 22 11.495 -10.130 18.263 1.00 41.41 H new ATOM 0 HD12 ILE A 22 11.779 -8.566 17.463 1.00 41.41 H new ATOM 0 HD13 ILE A 22 11.514 -10.029 16.486 1.00 41.41 H new ATOM 321 N SER A 23 15.749 -9.726 13.556 1.00 25.02 N ATOM 322 CA SER A 23 16.603 -9.199 12.498 1.00 3.12 C ATOM 323 C SER A 23 16.126 -9.673 11.129 1.00 44.24 C ATOM 324 O SER A 23 16.222 -8.946 10.140 1.00 51.40 O ATOM 325 CB SER A 23 18.054 -9.629 12.723 1.00 61.34 C ATOM 326 OG SER A 23 18.812 -9.507 11.532 1.00 44.22 O ATOM 0 H SER A 23 16.174 -10.470 14.110 1.00 25.02 H new ATOM 0 HA SER A 23 16.546 -8.111 12.526 1.00 3.12 H new ATOM 0 HB2 SER A 23 18.501 -9.017 13.507 1.00 61.34 H new ATOM 0 HB3 SER A 23 18.081 -10.662 13.071 1.00 61.34 H new ATOM 0 HG SER A 23 19.736 -9.786 11.702 1.00 44.22 H new ATOM 332 N SER A 24 15.613 -10.898 11.079 1.00 15.41 N ATOM 333 CA SER A 24 15.124 -11.472 9.831 1.00 52.31 C ATOM 334 C SER A 24 14.067 -10.573 9.197 1.00 51.44 C ATOM 335 O SER A 24 14.125 -10.274 8.004 1.00 11.23 O ATOM 336 CB SER A 24 14.542 -12.865 10.079 1.00 44.11 C ATOM 337 OG SER A 24 14.435 -13.596 8.869 1.00 5.44 O ATOM 0 H SER A 24 15.525 -11.512 11.889 1.00 15.41 H new ATOM 0 HA SER A 24 15.966 -11.555 9.144 1.00 52.31 H new ATOM 0 HB2 SER A 24 15.176 -13.408 10.781 1.00 44.11 H new ATOM 0 HB3 SER A 24 13.559 -12.775 10.541 1.00 44.11 H new ATOM 0 HG SER A 24 14.062 -14.483 9.055 1.00 5.44 H new ATOM 343 N ALA A 25 13.101 -10.145 10.004 1.00 44.14 N ATOM 344 CA ALA A 25 12.032 -9.279 9.523 1.00 1.43 C ATOM 345 C ALA A 25 12.494 -7.827 9.448 1.00 73.24 C ATOM 346 O ALA A 25 12.001 -7.051 8.629 1.00 12.02 O ATOM 347 CB ALA A 25 10.811 -9.400 10.422 1.00 14.23 C ATOM 0 H ALA A 25 13.037 -10.384 10.994 1.00 44.14 H new ATOM 0 HA ALA A 25 11.762 -9.600 8.517 1.00 1.43 H new ATOM 0 HB1 ALA A 25 10.020 -8.748 10.051 1.00 14.23 H new ATOM 0 HB2 ALA A 25 10.460 -10.432 10.422 1.00 14.23 H new ATOM 0 HB3 ALA A 25 11.077 -9.107 11.438 1.00 14.23 H new ATOM 353 N SER A 26 13.442 -7.467 10.307 1.00 51.14 N ATOM 354 CA SER A 26 13.967 -6.107 10.340 1.00 53.22 C ATOM 355 C SER A 26 14.532 -5.709 8.980 1.00 72.34 C ATOM 356 O SER A 26 14.232 -4.635 8.459 1.00 54.31 O ATOM 357 CB SER A 26 15.051 -5.982 11.412 1.00 62.14 C ATOM 358 OG SER A 26 15.609 -4.679 11.423 1.00 21.54 O ATOM 0 H SER A 26 13.862 -8.098 10.989 1.00 51.14 H new ATOM 0 HA SER A 26 13.146 -5.433 10.584 1.00 53.22 H new ATOM 0 HB2 SER A 26 14.627 -6.208 12.390 1.00 62.14 H new ATOM 0 HB3 SER A 26 15.836 -6.716 11.228 1.00 62.14 H new ATOM 0 HG SER A 26 16.298 -4.624 12.118 1.00 21.54 H new ATOM 364 N LYS A 27 15.353 -6.584 8.408 1.00 33.25 N ATOM 365 CA LYS A 27 15.961 -6.328 7.108 1.00 14.12 C ATOM 366 C LYS A 27 14.892 -6.099 6.044 1.00 63.43 C ATOM 367 O LYS A 27 15.039 -5.235 5.180 1.00 40.04 O ATOM 368 CB LYS A 27 16.858 -7.499 6.702 1.00 1.00 C ATOM 369 CG LYS A 27 18.208 -7.501 7.398 1.00 11.15 C ATOM 370 CD LYS A 27 18.681 -8.914 7.693 1.00 23.32 C ATOM 371 CE LYS A 27 19.062 -9.652 6.419 1.00 50.24 C ATOM 372 NZ LYS A 27 19.838 -10.890 6.705 1.00 71.11 N ATOM 0 H LYS A 27 15.613 -7.478 8.825 1.00 33.25 H new ATOM 0 HA LYS A 27 16.567 -5.426 7.189 1.00 14.12 H new ATOM 0 HB2 LYS A 27 16.343 -8.434 6.923 1.00 1.00 H new ATOM 0 HB3 LYS A 27 17.015 -7.469 5.624 1.00 1.00 H new ATOM 0 HG2 LYS A 27 18.942 -6.994 6.772 1.00 11.15 H new ATOM 0 HG3 LYS A 27 18.139 -6.938 8.329 1.00 11.15 H new ATOM 0 HD2 LYS A 27 19.539 -8.879 8.365 1.00 23.32 H new ATOM 0 HD3 LYS A 27 17.893 -9.462 8.210 1.00 23.32 H new ATOM 0 HE2 LYS A 27 18.159 -9.909 5.865 1.00 50.24 H new ATOM 0 HE3 LYS A 27 19.651 -8.994 5.781 1.00 50.24 H new ATOM 0 HZ1 LYS A 27 20.078 -11.364 5.811 1.00 71.11 H new ATOM 0 HZ2 LYS A 27 20.712 -10.643 7.211 1.00 71.11 H new ATOM 0 HZ3 LYS A 27 19.267 -11.530 7.293 1.00 71.11 H new ATOM 386 N TRP A 28 13.819 -6.878 6.113 1.00 14.12 N ATOM 387 CA TRP A 28 12.725 -6.759 5.156 1.00 50.44 C ATOM 388 C TRP A 28 12.064 -5.388 5.252 1.00 31.11 C ATOM 389 O TRP A 28 11.860 -4.713 4.242 1.00 65.31 O ATOM 390 CB TRP A 28 11.688 -7.857 5.395 1.00 12.14 C ATOM 391 CG TRP A 28 10.653 -7.943 4.315 1.00 40.15 C ATOM 392 CD1 TRP A 28 10.870 -8.195 2.990 1.00 23.31 C ATOM 393 CD2 TRP A 28 9.239 -7.774 4.466 1.00 24.42 C ATOM 394 NE1 TRP A 28 9.677 -8.194 2.309 1.00 12.12 N ATOM 395 CE2 TRP A 28 8.661 -7.939 3.192 1.00 21.13 C ATOM 396 CE3 TRP A 28 8.406 -7.503 5.554 1.00 15.22 C ATOM 397 CZ2 TRP A 28 7.289 -7.839 2.980 1.00 72.25 C ATOM 398 CZ3 TRP A 28 7.044 -7.404 5.341 1.00 12.43 C ATOM 399 CH2 TRP A 28 6.496 -7.572 4.063 1.00 61.34 C ATOM 0 H TRP A 28 13.683 -7.599 6.822 1.00 14.12 H new ATOM 0 HA TRP A 28 13.139 -6.873 4.154 1.00 50.44 H new ATOM 0 HB2 TRP A 28 12.198 -8.817 5.476 1.00 12.14 H new ATOM 0 HB3 TRP A 28 11.193 -7.677 6.349 1.00 12.14 H new ATOM 0 HD1 TRP A 28 11.838 -8.369 2.543 1.00 23.31 H new ATOM 0 HE1 TRP A 28 9.566 -8.357 1.308 1.00 12.12 H new ATOM 0 HE3 TRP A 28 8.819 -7.373 6.544 1.00 15.22 H new ATOM 0 HZ2 TRP A 28 6.865 -7.968 1.995 1.00 72.25 H new ATOM 0 HZ3 TRP A 28 6.391 -7.193 6.175 1.00 12.43 H new ATOM 0 HH2 TRP A 28 5.427 -7.489 3.930 1.00 61.34 H new ATOM 410 N LEU A 29 11.731 -4.982 6.472 1.00 14.51 N ATOM 411 CA LEU A 29 11.092 -3.690 6.700 1.00 2.22 C ATOM 412 C LEU A 29 12.056 -2.546 6.403 1.00 4.23 C ATOM 413 O LEU A 29 11.644 -1.468 5.971 1.00 22.44 O ATOM 414 CB LEU A 29 10.596 -3.592 8.144 1.00 50.11 C ATOM 415 CG LEU A 29 9.254 -4.263 8.439 1.00 11.42 C ATOM 416 CD1 LEU A 29 9.044 -4.400 9.939 1.00 4.33 C ATOM 417 CD2 LEU A 29 8.114 -3.475 7.809 1.00 22.34 C ATOM 0 H LEU A 29 11.893 -5.528 7.318 1.00 14.51 H new ATOM 0 HA LEU A 29 10.241 -3.609 6.024 1.00 2.22 H new ATOM 0 HB2 LEU A 29 11.350 -4.031 8.797 1.00 50.11 H new ATOM 0 HB3 LEU A 29 10.519 -2.538 8.410 1.00 50.11 H new ATOM 0 HG LEU A 29 9.265 -5.261 8.002 1.00 11.42 H new ATOM 0 HD11 LEU A 29 8.084 -4.880 10.130 1.00 4.33 H new ATOM 0 HD12 LEU A 29 9.843 -5.007 10.364 1.00 4.33 H new ATOM 0 HD13 LEU A 29 9.054 -3.412 10.400 1.00 4.33 H new ATOM 0 HD21 LEU A 29 7.167 -3.967 8.029 1.00 22.34 H new ATOM 0 HD22 LEU A 29 8.101 -2.464 8.217 1.00 22.34 H new ATOM 0 HD23 LEU A 29 8.257 -3.429 6.729 1.00 22.34 H new ATOM 429 N LEU A 30 13.342 -2.787 6.635 1.00 31.24 N ATOM 430 CA LEU A 30 14.366 -1.778 6.391 1.00 43.14 C ATOM 431 C LEU A 30 14.310 -1.284 4.949 1.00 43.24 C ATOM 432 O LEU A 30 14.549 -0.107 4.675 1.00 50.24 O ATOM 433 CB LEU A 30 15.754 -2.347 6.693 1.00 34.02 C ATOM 434 CG LEU A 30 16.718 -1.412 7.423 1.00 43.41 C ATOM 435 CD1 LEU A 30 16.927 -0.133 6.626 1.00 21.04 C ATOM 436 CD2 LEU A 30 16.200 -1.094 8.818 1.00 25.33 C ATOM 0 H LEU A 30 13.700 -3.673 6.992 1.00 31.24 H new ATOM 0 HA LEU A 30 14.174 -0.934 7.053 1.00 43.14 H new ATOM 0 HB2 LEU A 30 15.632 -3.250 7.291 1.00 34.02 H new ATOM 0 HB3 LEU A 30 16.214 -2.648 5.752 1.00 34.02 H new ATOM 0 HG LEU A 30 17.679 -1.917 7.521 1.00 43.41 H new ATOM 0 HD11 LEU A 30 17.616 0.521 7.161 1.00 21.04 H new ATOM 0 HD12 LEU A 30 17.343 -0.377 5.649 1.00 21.04 H new ATOM 0 HD13 LEU A 30 15.971 0.375 6.497 1.00 21.04 H new ATOM 0 HD21 LEU A 30 16.899 -0.427 9.323 1.00 25.33 H new ATOM 0 HD22 LEU A 30 15.227 -0.609 8.743 1.00 25.33 H new ATOM 0 HD23 LEU A 30 16.103 -2.017 9.389 1.00 25.33 H new ATOM 448 N LEU A 31 13.992 -2.189 4.030 1.00 33.45 N ATOM 449 CA LEU A 31 13.902 -1.845 2.616 1.00 74.54 C ATOM 450 C LEU A 31 12.475 -1.461 2.239 1.00 54.44 C ATOM 451 O LEU A 31 12.128 -1.405 1.059 1.00 45.31 O ATOM 452 CB LEU A 31 14.370 -3.020 1.754 1.00 13.23 C ATOM 453 CG LEU A 31 15.683 -3.680 2.176 1.00 33.23 C ATOM 454 CD1 LEU A 31 15.936 -4.936 1.357 1.00 41.02 C ATOM 455 CD2 LEU A 31 16.841 -2.704 2.032 1.00 62.12 C ATOM 0 H LEU A 31 13.792 -3.167 4.239 1.00 33.45 H new ATOM 0 HA LEU A 31 14.550 -0.988 2.434 1.00 74.54 H new ATOM 0 HB2 LEU A 31 13.588 -3.779 1.755 1.00 13.23 H new ATOM 0 HB3 LEU A 31 14.475 -2.672 0.727 1.00 13.23 H new ATOM 0 HG LEU A 31 15.604 -3.965 3.225 1.00 33.23 H new ATOM 0 HD11 LEU A 31 16.875 -5.392 1.671 1.00 41.02 H new ATOM 0 HD12 LEU A 31 15.120 -5.642 1.512 1.00 41.02 H new ATOM 0 HD13 LEU A 31 15.995 -4.676 0.300 1.00 41.02 H new ATOM 0 HD21 LEU A 31 17.767 -3.191 2.337 1.00 62.12 H new ATOM 0 HD22 LEU A 31 16.923 -2.387 0.992 1.00 62.12 H new ATOM 0 HD23 LEU A 31 16.664 -1.834 2.664 1.00 62.12 H new ATOM 467 N GLN A 32 11.652 -1.195 3.248 1.00 5.44 N ATOM 468 CA GLN A 32 10.263 -0.813 3.022 1.00 64.31 C ATOM 469 C GLN A 32 10.014 0.623 3.469 1.00 54.45 C ATOM 470 O GLN A 32 8.919 0.963 3.919 1.00 70.50 O ATOM 471 CB GLN A 32 9.324 -1.762 3.768 1.00 71.54 C ATOM 472 CG GLN A 32 9.371 -3.193 3.254 1.00 14.52 C ATOM 473 CD GLN A 32 8.494 -3.404 2.036 1.00 74.11 C ATOM 474 OE1 GLN A 32 7.266 -3.383 2.129 1.00 30.42 O ATOM 475 NE2 GLN A 32 9.120 -3.609 0.883 1.00 24.23 N ATOM 0 H GLN A 32 11.923 -1.237 4.230 1.00 5.44 H new ATOM 0 HA GLN A 32 10.063 -0.881 1.953 1.00 64.31 H new ATOM 0 HB2 GLN A 32 9.581 -1.756 4.827 1.00 71.54 H new ATOM 0 HB3 GLN A 32 8.303 -1.389 3.686 1.00 71.54 H new ATOM 0 HG2 GLN A 32 10.400 -3.452 3.005 1.00 14.52 H new ATOM 0 HG3 GLN A 32 9.054 -3.871 4.047 1.00 14.52 H new ATOM 0 HE21 GLN A 32 10.139 -3.618 0.851 1.00 24.23 H new ATOM 0 HE22 GLN A 32 8.581 -3.757 0.030 1.00 24.23 H new ATOM 484 N TYR A 33 11.035 1.463 3.341 1.00 12.21 N ATOM 485 CA TYR A 33 10.927 2.863 3.734 1.00 13.13 C ATOM 486 C TYR A 33 9.857 3.578 2.915 1.00 41.34 C ATOM 487 O TYR A 33 9.374 4.643 3.299 1.00 54.33 O ATOM 488 CB TYR A 33 12.273 3.568 3.562 1.00 2.35 C ATOM 489 CG TYR A 33 12.924 3.311 2.222 1.00 5.43 C ATOM 490 CD1 TYR A 33 12.350 3.781 1.047 1.00 1.15 C ATOM 491 CD2 TYR A 33 14.113 2.598 2.131 1.00 44.44 C ATOM 492 CE1 TYR A 33 12.941 3.548 -0.179 1.00 41.44 C ATOM 493 CE2 TYR A 33 14.712 2.362 0.908 1.00 2.24 C ATOM 494 CZ TYR A 33 14.122 2.839 -0.244 1.00 22.13 C ATOM 495 OH TYR A 33 14.715 2.604 -1.463 1.00 52.53 O ATOM 0 H TYR A 33 11.947 1.199 2.968 1.00 12.21 H new ATOM 0 HA TYR A 33 10.638 2.898 4.784 1.00 13.13 H new ATOM 0 HB2 TYR A 33 12.130 4.641 3.687 1.00 2.35 H new ATOM 0 HB3 TYR A 33 12.948 3.242 4.353 1.00 2.35 H new ATOM 0 HD1 TYR A 33 11.426 4.338 1.093 1.00 1.15 H new ATOM 0 HD2 TYR A 33 14.577 2.222 3.031 1.00 44.44 H new ATOM 0 HE1 TYR A 33 12.481 3.919 -1.083 1.00 41.44 H new ATOM 0 HE2 TYR A 33 15.637 1.807 0.855 1.00 2.24 H new ATOM 0 HH TYR A 33 15.540 2.092 -1.332 1.00 52.53 H new ATOM 505 N ARG A 34 9.492 2.984 1.783 1.00 22.13 N ATOM 506 CA ARG A 34 8.480 3.563 0.908 1.00 44.11 C ATOM 507 C ARG A 34 7.087 3.408 1.510 1.00 30.22 C ATOM 508 O ARG A 34 6.214 4.252 1.306 1.00 22.24 O ATOM 509 CB ARG A 34 8.528 2.901 -0.470 1.00 45.04 C ATOM 510 CG ARG A 34 9.655 3.413 -1.353 1.00 22.21 C ATOM 511 CD ARG A 34 9.163 4.471 -2.328 1.00 14.05 C ATOM 512 NE ARG A 34 8.324 3.900 -3.378 1.00 64.22 N ATOM 513 CZ ARG A 34 7.486 4.615 -4.120 1.00 2.10 C ATOM 514 NH1 ARG A 34 7.376 5.922 -3.927 1.00 55.24 N ATOM 515 NH2 ARG A 34 6.757 4.023 -5.057 1.00 71.01 N ATOM 0 H ARG A 34 9.882 2.102 1.451 1.00 22.13 H new ATOM 0 HA ARG A 34 8.694 4.626 0.801 1.00 44.11 H new ATOM 0 HB2 ARG A 34 8.638 1.824 -0.343 1.00 45.04 H new ATOM 0 HB3 ARG A 34 7.577 3.066 -0.977 1.00 45.04 H new ATOM 0 HG2 ARG A 34 10.446 3.831 -0.730 1.00 22.21 H new ATOM 0 HG3 ARG A 34 10.091 2.581 -1.907 1.00 22.21 H new ATOM 0 HD2 ARG A 34 8.599 5.229 -1.785 1.00 14.05 H new ATOM 0 HD3 ARG A 34 10.018 4.973 -2.780 1.00 14.05 H new ATOM 0 HE ARG A 34 8.385 2.897 -3.551 1.00 64.22 H new ATOM 0 HH11 ARG A 34 7.936 6.380 -3.208 1.00 55.24 H new ATOM 0 HH12 ARG A 34 6.732 6.469 -4.498 1.00 55.24 H new ATOM 0 HH21 ARG A 34 6.840 3.018 -5.208 1.00 71.01 H new ATOM 0 HH22 ARG A 34 6.114 4.573 -5.626 1.00 71.01 H new ATOM 529 N ASP A 35 6.886 2.324 2.252 1.00 42.13 N ATOM 530 CA ASP A 35 5.599 2.058 2.884 1.00 4.12 C ATOM 531 C ASP A 35 5.614 2.489 4.348 1.00 71.14 C ATOM 532 O ASP A 35 5.164 1.754 5.226 1.00 71.53 O ATOM 533 CB ASP A 35 5.254 0.572 2.781 1.00 74.24 C ATOM 534 CG ASP A 35 5.737 -0.046 1.483 1.00 12.12 C ATOM 535 OD1 ASP A 35 5.020 0.071 0.468 1.00 52.23 O ATOM 536 OD2 ASP A 35 6.831 -0.647 1.484 1.00 65.45 O ATOM 0 H ASP A 35 7.598 1.616 2.430 1.00 42.13 H new ATOM 0 HA ASP A 35 4.838 2.637 2.361 1.00 4.12 H new ATOM 0 HB2 ASP A 35 5.699 0.040 3.621 1.00 74.24 H new ATOM 0 HB3 ASP A 35 4.174 0.446 2.860 1.00 74.24 H new ATOM 541 N ALA A 36 6.135 3.685 4.602 1.00 72.31 N ATOM 542 CA ALA A 36 6.207 4.214 5.958 1.00 22.33 C ATOM 543 C ALA A 36 4.826 4.262 6.603 1.00 21.00 C ATOM 544 O ALA A 36 4.570 3.628 7.627 1.00 50.01 O ATOM 545 CB ALA A 36 6.837 5.598 5.952 1.00 45.52 C ATOM 0 H ALA A 36 6.513 4.306 3.886 1.00 72.31 H new ATOM 0 HA ALA A 36 6.832 3.545 6.549 1.00 22.33 H new ATOM 0 HB1 ALA A 36 6.884 5.981 6.972 1.00 45.52 H new ATOM 0 HB2 ALA A 36 7.844 5.537 5.540 1.00 45.52 H new ATOM 0 HB3 ALA A 36 6.235 6.269 5.340 1.00 45.52 H new ATOM 551 N PRO A 37 3.914 5.032 5.992 1.00 14.11 N ATOM 552 CA PRO A 37 2.543 5.182 6.490 1.00 71.51 C ATOM 553 C PRO A 37 1.723 3.907 6.322 1.00 70.10 C ATOM 554 O PRO A 37 0.846 3.609 7.133 1.00 21.32 O ATOM 555 CB PRO A 37 1.970 6.304 5.621 1.00 43.02 C ATOM 556 CG PRO A 37 2.769 6.255 4.364 1.00 2.33 C ATOM 557 CD PRO A 37 4.149 5.816 4.768 1.00 24.10 C ATOM 0 HA PRO A 37 2.519 5.397 7.558 1.00 71.51 H new ATOM 0 HB2 PRO A 37 0.910 6.149 5.422 1.00 43.02 H new ATOM 0 HB3 PRO A 37 2.064 7.272 6.112 1.00 43.02 H new ATOM 0 HG2 PRO A 37 2.331 5.558 3.650 1.00 2.33 H new ATOM 0 HG3 PRO A 37 2.796 7.231 3.880 1.00 2.33 H new ATOM 0 HD2 PRO A 37 4.623 5.216 3.991 1.00 24.10 H new ATOM 0 HD3 PRO A 37 4.803 6.668 4.956 1.00 24.10 H new ATOM 565 N LYS A 38 2.014 3.157 5.264 1.00 33.03 N ATOM 566 CA LYS A 38 1.305 1.913 4.990 1.00 20.40 C ATOM 567 C LYS A 38 1.585 0.877 6.074 1.00 32.32 C ATOM 568 O LYS A 38 0.662 0.340 6.687 1.00 72.22 O ATOM 569 CB LYS A 38 1.714 1.359 3.623 1.00 4.22 C ATOM 570 CG LYS A 38 0.799 1.794 2.492 1.00 73.20 C ATOM 571 CD LYS A 38 0.958 3.273 2.183 1.00 60.14 C ATOM 572 CE LYS A 38 0.576 3.586 0.744 1.00 65.31 C ATOM 573 NZ LYS A 38 -0.854 3.980 0.623 1.00 74.03 N ATOM 0 H LYS A 38 2.736 3.389 4.582 1.00 33.03 H new ATOM 0 HA LYS A 38 0.236 2.127 4.984 1.00 20.40 H new ATOM 0 HB2 LYS A 38 2.731 1.680 3.400 1.00 4.22 H new ATOM 0 HB3 LYS A 38 1.727 0.270 3.671 1.00 4.22 H new ATOM 0 HG2 LYS A 38 1.020 1.209 1.599 1.00 73.20 H new ATOM 0 HG3 LYS A 38 -0.237 1.587 2.761 1.00 73.20 H new ATOM 0 HD2 LYS A 38 0.335 3.856 2.861 1.00 60.14 H new ATOM 0 HD3 LYS A 38 1.991 3.574 2.360 1.00 60.14 H new ATOM 0 HE2 LYS A 38 1.207 4.391 0.368 1.00 65.31 H new ATOM 0 HE3 LYS A 38 0.766 2.713 0.120 1.00 65.31 H new ATOM 0 HZ1 LYS A 38 -1.075 4.185 -0.372 1.00 74.03 H new ATOM 0 HZ2 LYS A 38 -1.458 3.203 0.958 1.00 74.03 H new ATOM 0 HZ3 LYS A 38 -1.030 4.828 1.198 1.00 74.03 H new ATOM 587 N VAL A 39 2.864 0.601 6.307 1.00 2.44 N ATOM 588 CA VAL A 39 3.265 -0.368 7.320 1.00 64.13 C ATOM 589 C VAL A 39 2.871 0.100 8.716 1.00 52.01 C ATOM 590 O VAL A 39 2.483 -0.703 9.564 1.00 5.34 O ATOM 591 CB VAL A 39 4.784 -0.620 7.285 1.00 45.02 C ATOM 592 CG1 VAL A 39 5.188 -1.602 8.374 1.00 62.54 C ATOM 593 CG2 VAL A 39 5.209 -1.126 5.914 1.00 31.14 C ATOM 0 H VAL A 39 3.641 1.035 5.808 1.00 2.44 H new ATOM 0 HA VAL A 39 2.744 -1.298 7.092 1.00 64.13 H new ATOM 0 HB VAL A 39 5.296 0.324 7.473 1.00 45.02 H new ATOM 0 HG11 VAL A 39 6.265 -1.768 8.333 1.00 62.54 H new ATOM 0 HG12 VAL A 39 4.920 -1.195 9.349 1.00 62.54 H new ATOM 0 HG13 VAL A 39 4.669 -2.548 8.221 1.00 62.54 H new ATOM 0 HG21 VAL A 39 6.285 -1.299 5.907 1.00 31.14 H new ATOM 0 HG22 VAL A 39 4.690 -2.059 5.694 1.00 31.14 H new ATOM 0 HG23 VAL A 39 4.956 -0.383 5.158 1.00 31.14 H new ATOM 603 N ALA A 40 2.972 1.405 8.947 1.00 74.10 N ATOM 604 CA ALA A 40 2.623 1.981 10.240 1.00 72.13 C ATOM 605 C ALA A 40 1.136 1.812 10.533 1.00 70.31 C ATOM 606 O ALA A 40 0.756 1.323 11.596 1.00 20.23 O ATOM 607 CB ALA A 40 3.007 3.453 10.283 1.00 61.53 C ATOM 0 H ALA A 40 3.293 2.083 8.256 1.00 74.10 H new ATOM 0 HA ALA A 40 3.181 1.448 11.010 1.00 72.13 H new ATOM 0 HB1 ALA A 40 2.741 3.870 11.254 1.00 61.53 H new ATOM 0 HB2 ALA A 40 4.081 3.554 10.127 1.00 61.53 H new ATOM 0 HB3 ALA A 40 2.475 3.991 9.499 1.00 61.53 H new ATOM 613 N GLU A 41 0.300 2.220 9.583 1.00 31.23 N ATOM 614 CA GLU A 41 -1.146 2.114 9.742 1.00 23.02 C ATOM 615 C GLU A 41 -1.571 0.657 9.897 1.00 61.43 C ATOM 616 O GLU A 41 -2.365 0.321 10.775 1.00 72.34 O ATOM 617 CB GLU A 41 -1.860 2.741 8.543 1.00 71.31 C ATOM 618 CG GLU A 41 -3.339 2.995 8.781 1.00 51.45 C ATOM 619 CD GLU A 41 -4.066 3.428 7.522 1.00 10.21 C ATOM 620 OE1 GLU A 41 -4.001 2.690 6.517 1.00 73.03 O ATOM 621 OE2 GLU A 41 -4.699 4.504 7.542 1.00 10.32 O ATOM 0 H GLU A 41 0.599 2.626 8.696 1.00 31.23 H new ATOM 0 HA GLU A 41 -1.427 2.654 10.646 1.00 23.02 H new ATOM 0 HB2 GLU A 41 -1.373 3.684 8.293 1.00 71.31 H new ATOM 0 HB3 GLU A 41 -1.747 2.085 7.680 1.00 71.31 H new ATOM 0 HG2 GLU A 41 -3.802 2.088 9.170 1.00 51.45 H new ATOM 0 HG3 GLU A 41 -3.454 3.764 9.545 1.00 51.45 H new ATOM 628 N MET A 42 -1.036 -0.204 9.037 1.00 52.03 N ATOM 629 CA MET A 42 -1.359 -1.625 9.078 1.00 75.43 C ATOM 630 C MET A 42 -0.918 -2.245 10.400 1.00 75.31 C ATOM 631 O MET A 42 -1.700 -2.919 11.071 1.00 62.51 O ATOM 632 CB MET A 42 -0.692 -2.356 7.911 1.00 52.01 C ATOM 633 CG MET A 42 -1.541 -3.474 7.329 1.00 73.33 C ATOM 634 SD MET A 42 -1.829 -4.811 8.504 1.00 74.33 S ATOM 635 CE MET A 42 -0.153 -5.367 8.802 1.00 0.34 C ATOM 0 H MET A 42 -0.377 0.058 8.304 1.00 52.03 H new ATOM 0 HA MET A 42 -2.441 -1.728 8.991 1.00 75.43 H new ATOM 0 HB2 MET A 42 -0.465 -1.636 7.124 1.00 52.01 H new ATOM 0 HB3 MET A 42 0.258 -2.770 8.248 1.00 52.01 H new ATOM 0 HG2 MET A 42 -2.499 -3.067 7.006 1.00 73.33 H new ATOM 0 HG3 MET A 42 -1.049 -3.874 6.442 1.00 73.33 H new ATOM 0 HE1 MET A 42 -0.174 -6.326 9.320 1.00 0.34 H new ATOM 0 HE2 MET A 42 0.368 -5.480 7.851 1.00 0.34 H new ATOM 0 HE3 MET A 42 0.369 -4.634 9.417 1.00 0.34 H new ATOM 645 N TRP A 43 0.336 -2.013 10.767 1.00 3.14 N ATOM 646 CA TRP A 43 0.881 -2.549 12.010 1.00 75.43 C ATOM 647 C TRP A 43 0.008 -2.161 13.198 1.00 22.45 C ATOM 648 O TRP A 43 -0.379 -3.011 14.001 1.00 21.01 O ATOM 649 CB TRP A 43 2.309 -2.046 12.224 1.00 60.50 C ATOM 650 CG TRP A 43 2.959 -2.610 13.451 1.00 2.54 C ATOM 651 CD1 TRP A 43 3.612 -3.804 13.558 1.00 24.12 C ATOM 652 CD2 TRP A 43 3.017 -2.001 14.746 1.00 33.43 C ATOM 653 NE1 TRP A 43 4.072 -3.975 14.842 1.00 65.34 N ATOM 654 CE2 TRP A 43 3.721 -2.883 15.590 1.00 72.13 C ATOM 655 CE3 TRP A 43 2.544 -0.797 15.275 1.00 60.31 C ATOM 656 CZ2 TRP A 43 3.961 -2.597 16.931 1.00 33.10 C ATOM 657 CZ3 TRP A 43 2.783 -0.515 16.606 1.00 33.24 C ATOM 658 CH2 TRP A 43 3.486 -1.411 17.422 1.00 24.21 C ATOM 0 H TRP A 43 0.996 -1.457 10.222 1.00 3.14 H new ATOM 0 HA TRP A 43 0.895 -3.636 11.933 1.00 75.43 H new ATOM 0 HB2 TRP A 43 2.911 -2.302 11.352 1.00 60.50 H new ATOM 0 HB3 TRP A 43 2.297 -0.958 12.295 1.00 60.50 H new ATOM 0 HD1 TRP A 43 3.747 -4.510 12.752 1.00 24.12 H new ATOM 0 HE1 TRP A 43 4.591 -4.784 15.183 1.00 65.34 H new ATOM 0 HE3 TRP A 43 2.001 -0.099 14.654 1.00 60.31 H new ATOM 0 HZ2 TRP A 43 4.503 -3.286 17.562 1.00 33.10 H new ATOM 0 HZ3 TRP A 43 2.422 0.412 17.025 1.00 33.24 H new ATOM 0 HH2 TRP A 43 3.656 -1.161 18.459 1.00 24.21 H new ATOM 669 N LYS A 44 -0.299 -0.873 13.306 1.00 22.21 N ATOM 670 CA LYS A 44 -1.127 -0.372 14.396 1.00 33.03 C ATOM 671 C LYS A 44 -2.483 -1.071 14.415 1.00 21.02 C ATOM 672 O LYS A 44 -2.840 -1.724 15.395 1.00 54.10 O ATOM 673 CB LYS A 44 -1.323 1.140 14.262 1.00 20.21 C ATOM 674 CG LYS A 44 -2.154 1.747 15.379 1.00 10.11 C ATOM 675 CD LYS A 44 -3.208 2.698 14.836 1.00 21.25 C ATOM 676 CE LYS A 44 -2.665 4.112 14.700 1.00 14.23 C ATOM 677 NZ LYS A 44 -3.710 5.136 14.979 1.00 10.23 N ATOM 0 H LYS A 44 0.014 -0.156 12.651 1.00 22.21 H new ATOM 0 HA LYS A 44 -0.615 -0.584 15.335 1.00 33.03 H new ATOM 0 HB2 LYS A 44 -0.347 1.624 14.243 1.00 20.21 H new ATOM 0 HB3 LYS A 44 -1.803 1.352 13.307 1.00 20.21 H new ATOM 0 HG2 LYS A 44 -2.638 0.952 15.947 1.00 10.11 H new ATOM 0 HG3 LYS A 44 -1.502 2.281 16.070 1.00 10.11 H new ATOM 0 HD2 LYS A 44 -3.553 2.344 13.864 1.00 21.25 H new ATOM 0 HD3 LYS A 44 -4.073 2.701 15.499 1.00 21.25 H new ATOM 0 HE2 LYS A 44 -1.830 4.248 15.387 1.00 14.23 H new ATOM 0 HE3 LYS A 44 -2.275 4.256 13.692 1.00 14.23 H new ATOM 0 HZ1 LYS A 44 -3.285 6.085 14.943 1.00 10.23 H new ATOM 0 HZ2 LYS A 44 -4.463 5.066 14.265 1.00 10.23 H new ATOM 0 HZ3 LYS A 44 -4.112 4.973 15.924 1.00 10.23 H new ATOM 691 N GLU A 45 -3.232 -0.930 13.326 1.00 64.22 N ATOM 692 CA GLU A 45 -4.547 -1.549 13.219 1.00 74.52 C ATOM 693 C GLU A 45 -4.472 -3.044 13.519 1.00 45.21 C ATOM 694 O GLU A 45 -5.436 -3.642 13.997 1.00 3.31 O ATOM 695 CB GLU A 45 -5.128 -1.328 11.820 1.00 3.24 C ATOM 696 CG GLU A 45 -6.017 -0.100 11.718 1.00 45.30 C ATOM 697 CD GLU A 45 -7.420 -0.350 12.235 1.00 23.23 C ATOM 698 OE1 GLU A 45 -8.009 -1.390 11.871 1.00 4.25 O ATOM 699 OE2 GLU A 45 -7.929 0.493 13.003 1.00 22.52 O ATOM 0 H GLU A 45 -2.950 -0.393 12.506 1.00 64.22 H new ATOM 0 HA GLU A 45 -5.201 -1.080 13.955 1.00 74.52 H new ATOM 0 HB2 GLU A 45 -4.309 -1.234 11.106 1.00 3.24 H new ATOM 0 HB3 GLU A 45 -5.703 -2.208 11.531 1.00 3.24 H new ATOM 0 HG2 GLU A 45 -5.567 0.717 12.281 1.00 45.30 H new ATOM 0 HG3 GLU A 45 -6.069 0.221 10.678 1.00 45.30 H new ATOM 706 N TYR A 46 -3.319 -3.640 13.234 1.00 34.40 N ATOM 707 CA TYR A 46 -3.118 -5.065 13.470 1.00 4.01 C ATOM 708 C TYR A 46 -2.887 -5.344 14.952 1.00 33.41 C ATOM 709 O TYR A 46 -3.358 -6.348 15.486 1.00 13.13 O ATOM 710 CB TYR A 46 -1.930 -5.575 12.653 1.00 63.42 C ATOM 711 CG TYR A 46 -1.431 -6.933 13.092 1.00 30.55 C ATOM 712 CD1 TYR A 46 -0.451 -7.052 14.071 1.00 73.03 C ATOM 713 CD2 TYR A 46 -1.939 -8.098 12.529 1.00 5.33 C ATOM 714 CE1 TYR A 46 0.008 -8.291 14.475 1.00 10.43 C ATOM 715 CE2 TYR A 46 -1.486 -9.340 12.929 1.00 73.43 C ATOM 716 CZ TYR A 46 -0.513 -9.432 13.902 1.00 40.33 C ATOM 717 OH TYR A 46 -0.059 -10.668 14.301 1.00 2.33 O ATOM 0 H TYR A 46 -2.510 -3.159 12.840 1.00 34.40 H new ATOM 0 HA TYR A 46 -4.020 -5.591 13.156 1.00 4.01 H new ATOM 0 HB2 TYR A 46 -2.217 -5.625 11.603 1.00 63.42 H new ATOM 0 HB3 TYR A 46 -1.114 -4.856 12.727 1.00 63.42 H new ATOM 0 HD1 TYR A 46 -0.042 -6.161 14.523 1.00 73.03 H new ATOM 0 HD2 TYR A 46 -2.701 -8.031 11.766 1.00 5.33 H new ATOM 0 HE1 TYR A 46 0.771 -8.366 15.236 1.00 10.43 H new ATOM 0 HE2 TYR A 46 -1.892 -10.235 12.482 1.00 73.43 H new ATOM 0 HH TYR A 46 -0.686 -11.359 14.002 1.00 2.33 H new ATOM 727 N MET A 47 -2.160 -4.448 15.610 1.00 25.03 N ATOM 728 CA MET A 47 -1.868 -4.596 17.031 1.00 24.24 C ATOM 729 C MET A 47 -3.106 -4.306 17.874 1.00 45.41 C ATOM 730 O MET A 47 -3.240 -4.807 18.991 1.00 12.31 O ATOM 731 CB MET A 47 -0.727 -3.661 17.440 1.00 75.32 C ATOM 732 CG MET A 47 0.615 -4.041 16.837 1.00 43.12 C ATOM 733 SD MET A 47 1.489 -5.281 17.812 1.00 52.13 S ATOM 734 CE MET A 47 2.248 -4.252 19.066 1.00 64.22 C ATOM 0 H MET A 47 -1.762 -3.612 15.182 1.00 25.03 H new ATOM 0 HA MET A 47 -1.563 -5.628 17.208 1.00 24.24 H new ATOM 0 HB2 MET A 47 -0.976 -2.643 17.139 1.00 75.32 H new ATOM 0 HB3 MET A 47 -0.641 -3.660 18.527 1.00 75.32 H new ATOM 0 HG2 MET A 47 0.461 -4.421 15.827 1.00 43.12 H new ATOM 0 HG3 MET A 47 1.236 -3.149 16.750 1.00 43.12 H new ATOM 0 HE1 MET A 47 3.333 -4.332 18.995 1.00 64.22 H new ATOM 0 HE2 MET A 47 1.950 -3.214 18.915 1.00 64.22 H new ATOM 0 HE3 MET A 47 1.924 -4.582 20.053 1.00 64.22 H new ATOM 744 N LEU A 48 -4.007 -3.494 17.332 1.00 2.35 N ATOM 745 CA LEU A 48 -5.234 -3.136 18.035 1.00 74.21 C ATOM 746 C LEU A 48 -6.388 -4.039 17.610 1.00 63.50 C ATOM 747 O LEU A 48 -7.546 -3.622 17.603 1.00 61.20 O ATOM 748 CB LEU A 48 -5.592 -1.673 17.766 1.00 64.30 C ATOM 749 CG LEU A 48 -4.481 -0.654 18.019 1.00 4.44 C ATOM 750 CD1 LEU A 48 -4.981 0.758 17.753 1.00 24.32 C ATOM 751 CD2 LEU A 48 -3.959 -0.777 19.444 1.00 45.35 C ATOM 0 H LEU A 48 -3.911 -3.071 16.409 1.00 2.35 H new ATOM 0 HA LEU A 48 -5.064 -3.272 19.103 1.00 74.21 H new ATOM 0 HB2 LEU A 48 -5.911 -1.583 16.728 1.00 64.30 H new ATOM 0 HB3 LEU A 48 -6.448 -1.409 18.387 1.00 64.30 H new ATOM 0 HG LEU A 48 -3.660 -0.862 17.333 1.00 4.44 H new ATOM 0 HD11 LEU A 48 -4.177 1.470 17.938 1.00 24.32 H new ATOM 0 HD12 LEU A 48 -5.306 0.840 16.716 1.00 24.32 H new ATOM 0 HD13 LEU A 48 -5.819 0.978 18.414 1.00 24.32 H new ATOM 0 HD21 LEU A 48 -3.169 -0.044 19.607 1.00 45.35 H new ATOM 0 HD22 LEU A 48 -4.772 -0.595 20.146 1.00 45.35 H new ATOM 0 HD23 LEU A 48 -3.562 -1.780 19.601 1.00 45.35 H new ATOM 763 N ARG A 49 -6.063 -5.279 17.258 1.00 21.34 N ATOM 764 CA ARG A 49 -7.072 -6.242 16.833 1.00 21.04 C ATOM 765 C ARG A 49 -7.216 -7.366 17.856 1.00 51.42 C ATOM 766 O ARG A 49 -6.297 -7.666 18.619 1.00 54.35 O ATOM 767 CB ARG A 49 -6.707 -6.825 15.467 1.00 74.21 C ATOM 768 CG ARG A 49 -7.360 -6.100 14.301 1.00 32.15 C ATOM 769 CD ARG A 49 -6.736 -6.503 12.975 1.00 73.24 C ATOM 770 NE ARG A 49 -7.725 -6.564 11.901 1.00 45.40 N ATOM 771 CZ ARG A 49 -7.508 -7.162 10.735 1.00 24.42 C ATOM 772 NH1 ARG A 49 -6.343 -7.749 10.494 1.00 34.43 N ATOM 773 NH2 ARG A 49 -8.456 -7.175 9.808 1.00 75.22 N ATOM 0 H ARG A 49 -5.109 -5.640 17.259 1.00 21.34 H new ATOM 0 HA ARG A 49 -8.026 -5.721 16.755 1.00 21.04 H new ATOM 0 HB2 ARG A 49 -5.624 -6.791 15.344 1.00 74.21 H new ATOM 0 HB3 ARG A 49 -6.998 -7.875 15.440 1.00 74.21 H new ATOM 0 HG2 ARG A 49 -8.427 -6.322 14.285 1.00 32.15 H new ATOM 0 HG3 ARG A 49 -7.261 -5.023 14.439 1.00 32.15 H new ATOM 0 HD2 ARG A 49 -5.956 -5.789 12.710 1.00 73.24 H new ATOM 0 HD3 ARG A 49 -6.255 -7.476 13.081 1.00 73.24 H new ATOM 0 HE ARG A 49 -8.632 -6.123 12.055 1.00 45.40 H new ATOM 0 HH11 ARG A 49 -5.612 -7.742 11.205 1.00 34.43 H new ATOM 0 HH12 ARG A 49 -6.179 -8.208 9.598 1.00 34.43 H new ATOM 0 HH21 ARG A 49 -9.353 -6.725 9.990 1.00 75.22 H new ATOM 0 HH22 ARG A 49 -8.288 -7.635 8.913 1.00 75.22 H new ATOM 787 N PRO A 50 -8.397 -8.002 17.874 1.00 43.15 N ATOM 788 CA PRO A 50 -8.689 -9.102 18.797 1.00 12.12 C ATOM 789 C PRO A 50 -7.903 -10.365 18.462 1.00 2.35 C ATOM 790 O PRO A 50 -7.413 -11.057 19.355 1.00 73.34 O ATOM 791 CB PRO A 50 -10.189 -9.339 18.603 1.00 10.20 C ATOM 792 CG PRO A 50 -10.475 -8.849 17.225 1.00 4.04 C ATOM 793 CD PRO A 50 -9.537 -7.697 16.993 1.00 43.12 C ATOM 0 HA PRO A 50 -8.411 -8.858 19.822 1.00 12.12 H new ATOM 0 HB2 PRO A 50 -10.440 -10.395 18.708 1.00 10.20 H new ATOM 0 HB3 PRO A 50 -10.775 -8.797 19.345 1.00 10.20 H new ATOM 0 HG2 PRO A 50 -10.315 -9.637 16.489 1.00 4.04 H new ATOM 0 HG3 PRO A 50 -11.514 -8.532 17.131 1.00 4.04 H new ATOM 0 HD2 PRO A 50 -9.232 -7.632 15.949 1.00 43.12 H new ATOM 0 HD3 PRO A 50 -10.000 -6.744 17.250 1.00 43.12 H new ATOM 801 N SER A 51 -7.785 -10.658 17.171 1.00 20.24 N ATOM 802 CA SER A 51 -7.060 -11.840 16.719 1.00 33.02 C ATOM 803 C SER A 51 -5.676 -11.906 17.357 1.00 11.33 C ATOM 804 O SER A 51 -5.283 -12.933 17.911 1.00 11.42 O ATOM 805 CB SER A 51 -6.932 -11.833 15.195 1.00 62.23 C ATOM 806 OG SER A 51 -7.995 -11.111 14.597 1.00 64.44 O ATOM 0 H SER A 51 -8.182 -10.094 16.420 1.00 20.24 H new ATOM 0 HA SER A 51 -7.624 -12.721 17.025 1.00 33.02 H new ATOM 0 HB2 SER A 51 -5.979 -11.387 14.909 1.00 62.23 H new ATOM 0 HB3 SER A 51 -6.929 -12.857 14.822 1.00 62.23 H new ATOM 0 HG SER A 51 -7.889 -11.120 13.623 1.00 64.44 H new ATOM 812 N VAL A 52 -4.941 -10.802 17.275 1.00 5.53 N ATOM 813 CA VAL A 52 -3.600 -10.732 17.845 1.00 53.30 C ATOM 814 C VAL A 52 -3.639 -10.889 19.361 1.00 64.31 C ATOM 815 O VAL A 52 -4.369 -10.179 20.051 1.00 71.35 O ATOM 816 CB VAL A 52 -2.911 -9.399 17.496 1.00 64.53 C ATOM 817 CG1 VAL A 52 -1.479 -9.389 18.009 1.00 42.50 C ATOM 818 CG2 VAL A 52 -2.949 -9.158 15.994 1.00 13.33 C ATOM 0 H VAL A 52 -5.251 -9.944 16.820 1.00 5.53 H new ATOM 0 HA VAL A 52 -3.028 -11.553 17.412 1.00 53.30 H new ATOM 0 HB VAL A 52 -3.453 -8.590 17.985 1.00 64.53 H new ATOM 0 HG11 VAL A 52 -1.008 -8.440 17.754 1.00 42.50 H new ATOM 0 HG12 VAL A 52 -1.480 -9.514 19.092 1.00 42.50 H new ATOM 0 HG13 VAL A 52 -0.922 -10.206 17.550 1.00 42.50 H new ATOM 0 HG21 VAL A 52 -2.458 -8.212 15.765 1.00 13.33 H new ATOM 0 HG22 VAL A 52 -2.431 -9.969 15.482 1.00 13.33 H new ATOM 0 HG23 VAL A 52 -3.985 -9.120 15.658 1.00 13.33 H new ATOM 828 N ASN A 53 -2.846 -11.825 19.873 1.00 21.12 N ATOM 829 CA ASN A 53 -2.789 -12.076 21.309 1.00 70.53 C ATOM 830 C ASN A 53 -1.681 -11.256 21.961 1.00 4.12 C ATOM 831 O ASN A 53 -1.067 -10.401 21.322 1.00 41.40 O ATOM 832 CB ASN A 53 -2.563 -13.565 21.578 1.00 24.52 C ATOM 833 CG ASN A 53 -3.591 -14.441 20.888 1.00 10.22 C ATOM 834 OD1 ASN A 53 -3.706 -14.434 19.663 1.00 54.35 O ATOM 835 ND2 ASN A 53 -4.345 -15.200 21.675 1.00 64.32 N ATOM 0 H ASN A 53 -2.235 -12.422 19.316 1.00 21.12 H new ATOM 0 HA ASN A 53 -3.742 -11.775 21.744 1.00 70.53 H new ATOM 0 HB2 ASN A 53 -1.565 -13.845 21.239 1.00 24.52 H new ATOM 0 HB3 ASN A 53 -2.598 -13.746 22.652 1.00 24.52 H new ATOM 0 HD21 ASN A 53 -5.054 -15.809 21.268 1.00 64.32 H new ATOM 0 HD22 ASN A 53 -4.215 -15.173 22.686 1.00 64.32 H new ATOM 842 N THR A 54 -1.428 -11.522 23.239 1.00 72.40 N ATOM 843 CA THR A 54 -0.395 -10.809 23.979 1.00 62.32 C ATOM 844 C THR A 54 0.990 -11.110 23.417 1.00 21.02 C ATOM 845 O THR A 54 1.785 -10.200 23.180 1.00 71.44 O ATOM 846 CB THR A 54 -0.420 -11.176 25.475 1.00 54.13 C ATOM 847 OG1 THR A 54 -0.900 -12.515 25.643 1.00 41.42 O ATOM 848 CG2 THR A 54 -1.305 -10.213 26.253 1.00 71.54 C ATOM 0 H THR A 54 -1.925 -12.227 23.783 1.00 72.40 H new ATOM 0 HA THR A 54 -0.606 -9.745 23.870 1.00 62.32 H new ATOM 0 HB THR A 54 0.597 -11.104 25.862 1.00 54.13 H new ATOM 0 HG1 THR A 54 -0.911 -12.741 26.596 1.00 41.42 H new ATOM 0 HG21 THR A 54 -1.307 -10.492 27.307 1.00 71.54 H new ATOM 0 HG22 THR A 54 -0.920 -9.199 26.147 1.00 71.54 H new ATOM 0 HG23 THR A 54 -2.322 -10.258 25.863 1.00 71.54 H new ATOM 856 N ARG A 55 1.273 -12.391 23.207 1.00 74.55 N ATOM 857 CA ARG A 55 2.563 -12.812 22.673 1.00 54.31 C ATOM 858 C ARG A 55 2.865 -12.099 21.358 1.00 4.01 C ATOM 859 O ARG A 55 3.911 -11.466 21.210 1.00 62.50 O ATOM 860 CB ARG A 55 2.582 -14.327 22.460 1.00 14.53 C ATOM 861 CG ARG A 55 3.945 -14.869 22.064 1.00 1.11 C ATOM 862 CD ARG A 55 3.947 -16.389 22.016 1.00 44.21 C ATOM 863 NE ARG A 55 3.678 -16.978 23.325 1.00 74.45 N ATOM 864 CZ ARG A 55 3.433 -18.270 23.512 1.00 32.51 C ATOM 865 NH1 ARG A 55 3.424 -19.104 22.481 1.00 42.53 N ATOM 866 NH2 ARG A 55 3.196 -18.732 24.734 1.00 42.44 N ATOM 0 H ARG A 55 0.626 -13.156 23.399 1.00 74.55 H new ATOM 0 HA ARG A 55 3.332 -12.545 23.397 1.00 54.31 H new ATOM 0 HB2 ARG A 55 2.257 -14.818 23.377 1.00 14.53 H new ATOM 0 HB3 ARG A 55 1.859 -14.586 21.687 1.00 14.53 H new ATOM 0 HG2 ARG A 55 4.226 -14.473 21.088 1.00 1.11 H new ATOM 0 HG3 ARG A 55 4.695 -14.525 22.776 1.00 1.11 H new ATOM 0 HD2 ARG A 55 3.196 -16.730 21.304 1.00 44.21 H new ATOM 0 HD3 ARG A 55 4.913 -16.739 21.653 1.00 44.21 H new ATOM 0 HE ARG A 55 3.678 -16.364 24.140 1.00 74.45 H new ATOM 0 HH11 ARG A 55 3.606 -18.754 21.540 1.00 42.53 H new ATOM 0 HH12 ARG A 55 3.235 -20.095 22.629 1.00 42.53 H new ATOM 0 HH21 ARG A 55 3.202 -18.095 25.530 1.00 42.44 H new ATOM 0 HH22 ARG A 55 3.008 -19.724 24.876 1.00 42.44 H new ATOM 880 N ARG A 56 1.944 -12.207 20.407 1.00 54.42 N ATOM 881 CA ARG A 56 2.113 -11.574 19.104 1.00 33.11 C ATOM 882 C ARG A 56 2.408 -10.085 19.257 1.00 3.00 C ATOM 883 O ARG A 56 3.227 -9.525 18.527 1.00 31.14 O ATOM 884 CB ARG A 56 0.858 -11.771 18.251 1.00 1.02 C ATOM 885 CG ARG A 56 0.728 -13.171 17.673 1.00 1.31 C ATOM 886 CD ARG A 56 0.099 -14.130 18.671 1.00 15.55 C ATOM 887 NE ARG A 56 -0.471 -15.305 18.017 1.00 12.54 N ATOM 888 CZ ARG A 56 0.254 -16.333 17.593 1.00 20.41 C ATOM 889 NH1 ARG A 56 1.570 -16.332 17.754 1.00 61.22 N ATOM 890 NH2 ARG A 56 -0.337 -17.367 17.007 1.00 13.41 N ATOM 0 H ARG A 56 1.073 -12.727 20.514 1.00 54.42 H new ATOM 0 HA ARG A 56 2.960 -12.045 18.606 1.00 33.11 H new ATOM 0 HB2 ARG A 56 -0.021 -11.555 18.858 1.00 1.02 H new ATOM 0 HB3 ARG A 56 0.867 -11.049 17.434 1.00 1.02 H new ATOM 0 HG2 ARG A 56 0.122 -13.137 16.768 1.00 1.31 H new ATOM 0 HG3 ARG A 56 1.712 -13.539 17.384 1.00 1.31 H new ATOM 0 HD2 ARG A 56 0.852 -14.447 19.393 1.00 15.55 H new ATOM 0 HD3 ARG A 56 -0.681 -13.612 19.229 1.00 15.55 H new ATOM 0 HE ARG A 56 -1.481 -15.337 17.879 1.00 12.54 H new ATOM 0 HH11 ARG A 56 2.028 -15.540 18.205 1.00 61.22 H new ATOM 0 HH12 ARG A 56 2.124 -17.123 17.427 1.00 61.22 H new ATOM 0 HH21 ARG A 56 -1.349 -17.372 16.882 1.00 13.41 H new ATOM 0 HH22 ARG A 56 0.221 -18.156 16.682 1.00 13.41 H new ATOM 904 N LYS A 57 1.736 -9.448 20.210 1.00 31.50 N ATOM 905 CA LYS A 57 1.926 -8.025 20.460 1.00 12.35 C ATOM 906 C LYS A 57 3.313 -7.753 21.034 1.00 70.30 C ATOM 907 O LYS A 57 4.046 -6.899 20.535 1.00 41.34 O ATOM 908 CB LYS A 57 0.854 -7.508 21.423 1.00 3.21 C ATOM 909 CG LYS A 57 -0.529 -7.418 20.802 1.00 1.01 C ATOM 910 CD LYS A 57 -1.603 -7.221 21.859 1.00 42.52 C ATOM 911 CE LYS A 57 -2.998 -7.290 21.256 1.00 45.11 C ATOM 912 NZ LYS A 57 -4.056 -7.277 22.303 1.00 1.54 N ATOM 0 H LYS A 57 1.054 -9.896 20.822 1.00 31.50 H new ATOM 0 HA LYS A 57 1.836 -7.500 19.509 1.00 12.35 H new ATOM 0 HB2 LYS A 57 0.811 -8.165 22.292 1.00 3.21 H new ATOM 0 HB3 LYS A 57 1.146 -6.522 21.783 1.00 3.21 H new ATOM 0 HG2 LYS A 57 -0.558 -6.590 20.094 1.00 1.01 H new ATOM 0 HG3 LYS A 57 -0.735 -8.327 20.237 1.00 1.01 H new ATOM 0 HD2 LYS A 57 -1.501 -7.985 22.630 1.00 42.52 H new ATOM 0 HD3 LYS A 57 -1.463 -6.256 22.346 1.00 42.52 H new ATOM 0 HE2 LYS A 57 -3.144 -6.446 20.582 1.00 45.11 H new ATOM 0 HE3 LYS A 57 -3.090 -8.196 20.658 1.00 45.11 H new ATOM 0 HZ1 LYS A 57 -4.992 -7.325 21.852 1.00 1.54 H new ATOM 0 HZ2 LYS A 57 -3.932 -8.096 22.932 1.00 1.54 H new ATOM 0 HZ3 LYS A 57 -3.984 -6.400 22.858 1.00 1.54 H new ATOM 926 N LEU A 58 3.668 -8.486 22.084 1.00 72.24 N ATOM 927 CA LEU A 58 4.969 -8.326 22.724 1.00 15.43 C ATOM 928 C LEU A 58 6.094 -8.397 21.697 1.00 30.42 C ATOM 929 O LEU A 58 7.028 -7.595 21.727 1.00 25.52 O ATOM 930 CB LEU A 58 5.169 -9.401 23.793 1.00 32.42 C ATOM 931 CG LEU A 58 6.435 -9.277 24.641 1.00 21.52 C ATOM 932 CD1 LEU A 58 7.638 -9.822 23.887 1.00 61.32 C ATOM 933 CD2 LEU A 58 6.667 -7.829 25.044 1.00 5.42 C ATOM 0 H LEU A 58 3.073 -9.197 22.510 1.00 72.24 H new ATOM 0 HA LEU A 58 4.996 -7.344 23.196 1.00 15.43 H new ATOM 0 HB2 LEU A 58 4.307 -9.387 24.459 1.00 32.42 H new ATOM 0 HB3 LEU A 58 5.178 -10.375 23.303 1.00 32.42 H new ATOM 0 HG LEU A 58 6.302 -9.868 25.547 1.00 21.52 H new ATOM 0 HD11 LEU A 58 8.530 -9.725 24.506 1.00 61.32 H new ATOM 0 HD12 LEU A 58 7.473 -10.873 23.650 1.00 61.32 H new ATOM 0 HD13 LEU A 58 7.775 -9.259 22.964 1.00 61.32 H new ATOM 0 HD21 LEU A 58 7.572 -7.760 25.647 1.00 5.42 H new ATOM 0 HD22 LEU A 58 6.779 -7.216 24.150 1.00 5.42 H new ATOM 0 HD23 LEU A 58 5.816 -7.472 25.624 1.00 5.42 H new ATOM 945 N LEU A 59 5.997 -9.361 20.788 1.00 25.11 N ATOM 946 CA LEU A 59 7.006 -9.537 19.749 1.00 4.41 C ATOM 947 C LEU A 59 6.928 -8.415 18.719 1.00 51.33 C ATOM 948 O LEU A 59 7.950 -7.893 18.275 1.00 12.32 O ATOM 949 CB LEU A 59 6.827 -10.891 19.060 1.00 3.43 C ATOM 950 CG LEU A 59 6.862 -12.117 19.972 1.00 25.52 C ATOM 951 CD1 LEU A 59 6.450 -13.364 19.206 1.00 74.44 C ATOM 952 CD2 LEU A 59 8.248 -12.294 20.575 1.00 24.32 C ATOM 0 H LEU A 59 5.230 -10.033 20.749 1.00 25.11 H new ATOM 0 HA LEU A 59 7.988 -9.504 20.221 1.00 4.41 H new ATOM 0 HB2 LEU A 59 5.874 -10.884 18.531 1.00 3.43 H new ATOM 0 HB3 LEU A 59 7.609 -11.000 18.308 1.00 3.43 H new ATOM 0 HG LEU A 59 6.151 -11.962 20.784 1.00 25.52 H new ATOM 0 HD11 LEU A 59 6.481 -14.227 19.872 1.00 74.44 H new ATOM 0 HD12 LEU A 59 5.438 -13.238 18.823 1.00 74.44 H new ATOM 0 HD13 LEU A 59 7.136 -13.523 18.374 1.00 74.44 H new ATOM 0 HD21 LEU A 59 8.254 -13.172 21.221 1.00 24.32 H new ATOM 0 HD22 LEU A 59 8.978 -12.426 19.776 1.00 24.32 H new ATOM 0 HD23 LEU A 59 8.506 -11.411 21.160 1.00 24.32 H new ATOM 964 N GLY A 60 5.706 -8.047 18.343 1.00 24.14 N ATOM 965 CA GLY A 60 5.517 -6.988 17.370 1.00 51.33 C ATOM 966 C GLY A 60 6.232 -5.709 17.758 1.00 15.41 C ATOM 967 O GLY A 60 6.894 -5.082 16.930 1.00 73.35 O ATOM 0 H GLY A 60 4.844 -8.464 18.695 1.00 24.14 H new ATOM 0 HA2 GLY A 60 5.880 -7.323 16.398 1.00 51.33 H new ATOM 0 HA3 GLY A 60 4.452 -6.786 17.260 1.00 51.33 H new ATOM 971 N LEU A 61 6.097 -5.318 19.021 1.00 43.14 N ATOM 972 CA LEU A 61 6.734 -4.103 19.518 1.00 64.35 C ATOM 973 C LEU A 61 8.246 -4.164 19.326 1.00 44.14 C ATOM 974 O LEU A 61 8.869 -3.187 18.909 1.00 41.11 O ATOM 975 CB LEU A 61 6.404 -3.899 20.997 1.00 24.42 C ATOM 976 CG LEU A 61 6.146 -2.457 21.435 1.00 64.22 C ATOM 977 CD1 LEU A 61 5.956 -2.383 22.942 1.00 41.52 C ATOM 978 CD2 LEU A 61 7.289 -1.554 20.994 1.00 10.33 C ATOM 0 H LEU A 61 5.552 -5.824 19.719 1.00 43.14 H new ATOM 0 HA LEU A 61 6.347 -3.259 18.946 1.00 64.35 H new ATOM 0 HB2 LEU A 61 5.523 -4.494 21.237 1.00 24.42 H new ATOM 0 HB3 LEU A 61 7.228 -4.296 21.590 1.00 24.42 H new ATOM 0 HG LEU A 61 5.230 -2.110 20.957 1.00 64.22 H new ATOM 0 HD11 LEU A 61 5.774 -1.349 23.235 1.00 41.52 H new ATOM 0 HD12 LEU A 61 5.104 -2.998 23.232 1.00 41.52 H new ATOM 0 HD13 LEU A 61 6.854 -2.748 23.440 1.00 41.52 H new ATOM 0 HD21 LEU A 61 7.089 -0.531 21.314 1.00 10.33 H new ATOM 0 HD22 LEU A 61 8.220 -1.899 21.444 1.00 10.33 H new ATOM 0 HD23 LEU A 61 7.378 -1.584 19.908 1.00 10.33 H new ATOM 990 N TYR A 62 8.830 -5.317 19.630 1.00 22.51 N ATOM 991 CA TYR A 62 10.269 -5.506 19.491 1.00 4.24 C ATOM 992 C TYR A 62 10.685 -5.467 18.024 1.00 1.30 C ATOM 993 O TYR A 62 11.778 -5.010 17.688 1.00 45.21 O ATOM 994 CB TYR A 62 10.694 -6.835 20.118 1.00 72.10 C ATOM 995 CG TYR A 62 11.120 -6.714 21.564 1.00 61.44 C ATOM 996 CD1 TYR A 62 12.218 -5.943 21.923 1.00 65.24 C ATOM 997 CD2 TYR A 62 10.423 -7.371 22.571 1.00 64.13 C ATOM 998 CE1 TYR A 62 12.612 -5.831 23.242 1.00 12.21 C ATOM 999 CE2 TYR A 62 10.809 -7.263 23.893 1.00 33.31 C ATOM 1000 CZ TYR A 62 11.904 -6.492 24.224 1.00 72.54 C ATOM 1001 OH TYR A 62 12.292 -6.382 25.539 1.00 15.12 O ATOM 0 H TYR A 62 8.329 -6.136 19.975 1.00 22.51 H new ATOM 0 HA TYR A 62 10.768 -4.690 20.013 1.00 4.24 H new ATOM 0 HB2 TYR A 62 9.866 -7.540 20.050 1.00 72.10 H new ATOM 0 HB3 TYR A 62 11.518 -7.253 19.539 1.00 72.10 H new ATOM 0 HD1 TYR A 62 12.773 -5.422 21.157 1.00 65.24 H new ATOM 0 HD2 TYR A 62 9.565 -7.976 22.316 1.00 64.13 H new ATOM 0 HE1 TYR A 62 13.470 -5.229 23.503 1.00 12.21 H new ATOM 0 HE2 TYR A 62 10.256 -7.780 24.664 1.00 33.31 H new ATOM 0 HH TYR A 62 11.688 -6.908 26.103 1.00 15.12 H new ATOM 1011 N LEU A 63 9.805 -5.949 17.154 1.00 53.42 N ATOM 1012 CA LEU A 63 10.078 -5.969 15.721 1.00 52.01 C ATOM 1013 C LEU A 63 10.120 -4.553 15.154 1.00 31.43 C ATOM 1014 O LEU A 63 11.112 -4.145 14.551 1.00 32.11 O ATOM 1015 CB LEU A 63 9.015 -6.791 14.991 1.00 75.33 C ATOM 1016 CG LEU A 63 9.150 -6.864 13.469 1.00 20.34 C ATOM 1017 CD1 LEU A 63 8.491 -5.659 12.816 1.00 21.14 C ATOM 1018 CD2 LEU A 63 10.615 -6.956 13.068 1.00 1.12 C ATOM 0 H LEU A 63 8.896 -6.331 17.415 1.00 53.42 H new ATOM 0 HA LEU A 63 11.054 -6.430 15.569 1.00 52.01 H new ATOM 0 HB2 LEU A 63 9.035 -7.807 15.386 1.00 75.33 H new ATOM 0 HB3 LEU A 63 8.036 -6.375 15.229 1.00 75.33 H new ATOM 0 HG LEU A 63 8.641 -7.763 13.121 1.00 20.34 H new ATOM 0 HD11 LEU A 63 8.597 -5.728 11.733 1.00 21.14 H new ATOM 0 HD12 LEU A 63 7.433 -5.638 13.076 1.00 21.14 H new ATOM 0 HD13 LEU A 63 8.970 -4.746 13.170 1.00 21.14 H new ATOM 0 HD21 LEU A 63 10.692 -7.007 11.982 1.00 1.12 H new ATOM 0 HD22 LEU A 63 11.147 -6.076 13.429 1.00 1.12 H new ATOM 0 HD23 LEU A 63 11.057 -7.851 13.506 1.00 1.12 H new ATOM 1030 N MET A 64 9.037 -3.809 15.355 1.00 44.13 N ATOM 1031 CA MET A 64 8.953 -2.437 14.867 1.00 75.44 C ATOM 1032 C MET A 64 10.020 -1.562 15.516 1.00 34.12 C ATOM 1033 O MET A 64 10.517 -0.617 14.905 1.00 33.22 O ATOM 1034 CB MET A 64 7.564 -1.859 15.145 1.00 74.44 C ATOM 1035 CG MET A 64 7.367 -1.415 16.585 1.00 24.41 C ATOM 1036 SD MET A 64 7.705 0.340 16.823 1.00 70.20 S ATOM 1037 CE MET A 64 7.033 0.595 18.463 1.00 33.45 C ATOM 0 H MET A 64 8.207 -4.132 15.852 1.00 44.13 H new ATOM 0 HA MET A 64 9.125 -2.450 13.791 1.00 75.44 H new ATOM 0 HB2 MET A 64 7.395 -1.008 14.485 1.00 74.44 H new ATOM 0 HB3 MET A 64 6.812 -2.608 14.898 1.00 74.44 H new ATOM 0 HG2 MET A 64 6.343 -1.628 16.890 1.00 24.41 H new ATOM 0 HG3 MET A 64 8.021 -1.998 17.234 1.00 24.41 H new ATOM 0 HE1 MET A 64 6.578 1.584 18.520 1.00 33.45 H new ATOM 0 HE2 MET A 64 6.278 -0.164 18.669 1.00 33.45 H new ATOM 0 HE3 MET A 64 7.833 0.520 19.200 1.00 33.45 H new ATOM 1047 N ASN A 65 10.366 -1.883 16.758 1.00 25.34 N ATOM 1048 CA ASN A 65 11.374 -1.125 17.491 1.00 62.11 C ATOM 1049 C ASN A 65 12.758 -1.331 16.883 1.00 63.11 C ATOM 1050 O ASN A 65 13.513 -0.377 16.693 1.00 41.33 O ATOM 1051 CB ASN A 65 11.385 -1.541 18.963 1.00 13.43 C ATOM 1052 CG ASN A 65 12.243 -0.626 19.816 1.00 31.20 C ATOM 1053 OD1 ASN A 65 12.548 0.500 19.424 1.00 2.34 O ATOM 1054 ND2 ASN A 65 12.637 -1.109 20.989 1.00 53.50 N ATOM 0 H ASN A 65 9.964 -2.663 17.278 1.00 25.34 H new ATOM 0 HA ASN A 65 11.119 -0.068 17.421 1.00 62.11 H new ATOM 0 HB2 ASN A 65 10.364 -1.539 19.346 1.00 13.43 H new ATOM 0 HB3 ASN A 65 11.755 -2.563 19.046 1.00 13.43 H new ATOM 0 HD21 ASN A 65 13.217 -0.540 21.606 1.00 53.50 H new ATOM 0 HD22 ASN A 65 12.360 -2.049 21.273 1.00 53.50 H new ATOM 1061 N HIS A 66 13.085 -2.583 16.579 1.00 31.33 N ATOM 1062 CA HIS A 66 14.378 -2.915 15.991 1.00 30.04 C ATOM 1063 C HIS A 66 14.516 -2.302 14.601 1.00 1.43 C ATOM 1064 O HIS A 66 15.577 -1.794 14.238 1.00 3.02 O ATOM 1065 CB HIS A 66 14.552 -4.432 15.912 1.00 74.03 C ATOM 1066 CG HIS A 66 15.982 -4.868 15.832 1.00 3.23 C ATOM 1067 ND1 HIS A 66 16.946 -4.455 16.729 1.00 75.24 N ATOM 1068 CD2 HIS A 66 16.611 -5.686 14.957 1.00 62.42 C ATOM 1069 CE1 HIS A 66 18.105 -5.000 16.407 1.00 43.32 C ATOM 1070 NE2 HIS A 66 17.930 -5.752 15.335 1.00 15.14 N ATOM 0 H HIS A 66 12.472 -3.384 16.730 1.00 31.33 H new ATOM 0 HA HIS A 66 15.157 -2.501 16.631 1.00 30.04 H new ATOM 0 HB2 HIS A 66 14.090 -4.888 16.788 1.00 74.03 H new ATOM 0 HB3 HIS A 66 14.018 -4.806 15.039 1.00 74.03 H new ATOM 0 HD2 HIS A 66 16.160 -6.193 14.117 1.00 62.42 H new ATOM 0 HE1 HIS A 66 19.038 -4.855 16.931 1.00 43.32 H new ATOM 0 HE2 HIS A 66 18.656 -6.293 14.865 1.00 15.14 H new ATOM 1078 N VAL A 67 13.437 -2.353 13.827 1.00 12.41 N ATOM 1079 CA VAL A 67 13.437 -1.802 12.477 1.00 4.11 C ATOM 1080 C VAL A 67 13.644 -0.292 12.500 1.00 41.41 C ATOM 1081 O VAL A 67 14.547 0.232 11.847 1.00 12.41 O ATOM 1082 CB VAL A 67 12.122 -2.118 11.741 1.00 13.13 C ATOM 1083 CG1 VAL A 67 12.193 -1.650 10.296 1.00 75.23 C ATOM 1084 CG2 VAL A 67 11.815 -3.606 11.814 1.00 22.24 C ATOM 0 H VAL A 67 12.551 -2.771 14.112 1.00 12.41 H new ATOM 0 HA VAL A 67 14.264 -2.271 11.944 1.00 4.11 H new ATOM 0 HB VAL A 67 11.312 -1.579 12.233 1.00 13.13 H new ATOM 0 HG11 VAL A 67 11.255 -1.882 9.792 1.00 75.23 H new ATOM 0 HG12 VAL A 67 12.362 -0.574 10.270 1.00 75.23 H new ATOM 0 HG13 VAL A 67 13.013 -2.159 9.789 1.00 75.23 H new ATOM 0 HG21 VAL A 67 10.882 -3.811 11.289 1.00 22.24 H new ATOM 0 HG22 VAL A 67 12.625 -4.168 11.349 1.00 22.24 H new ATOM 0 HG23 VAL A 67 11.718 -3.907 12.857 1.00 22.24 H new ATOM 1094 N VAL A 68 12.801 0.404 13.257 1.00 44.23 N ATOM 1095 CA VAL A 68 12.892 1.855 13.367 1.00 41.25 C ATOM 1096 C VAL A 68 14.270 2.284 13.858 1.00 41.12 C ATOM 1097 O VAL A 68 14.868 3.216 13.321 1.00 3.01 O ATOM 1098 CB VAL A 68 11.821 2.414 14.323 1.00 65.23 C ATOM 1099 CG1 VAL A 68 11.970 3.921 14.469 1.00 73.51 C ATOM 1100 CG2 VAL A 68 10.428 2.052 13.831 1.00 0.03 C ATOM 0 H VAL A 68 12.048 -0.014 13.803 1.00 44.23 H new ATOM 0 HA VAL A 68 12.724 2.259 12.369 1.00 41.25 H new ATOM 0 HB VAL A 68 11.963 1.963 15.305 1.00 65.23 H new ATOM 0 HG11 VAL A 68 11.205 4.298 15.148 1.00 73.51 H new ATOM 0 HG12 VAL A 68 12.957 4.152 14.870 1.00 73.51 H new ATOM 0 HG13 VAL A 68 11.855 4.394 13.494 1.00 73.51 H new ATOM 0 HG21 VAL A 68 9.684 2.455 14.518 1.00 0.03 H new ATOM 0 HG22 VAL A 68 10.272 2.474 12.838 1.00 0.03 H new ATOM 0 HG23 VAL A 68 10.329 0.968 13.784 1.00 0.03 H new ATOM 1110 N GLN A 69 14.768 1.597 14.881 1.00 14.11 N ATOM 1111 CA GLN A 69 16.076 1.908 15.445 1.00 70.40 C ATOM 1112 C GLN A 69 17.152 1.895 14.364 1.00 73.51 C ATOM 1113 O GLN A 69 18.060 2.725 14.370 1.00 60.22 O ATOM 1114 CB GLN A 69 16.431 0.907 16.546 1.00 13.02 C ATOM 1115 CG GLN A 69 16.003 1.354 17.935 1.00 70.31 C ATOM 1116 CD GLN A 69 16.376 0.353 19.011 1.00 71.34 C ATOM 1117 OE1 GLN A 69 17.464 -0.224 18.988 1.00 12.32 O ATOM 1118 NE2 GLN A 69 15.473 0.140 19.961 1.00 51.42 N ATOM 0 H GLN A 69 14.286 0.822 15.336 1.00 14.11 H new ATOM 0 HA GLN A 69 16.030 2.909 15.874 1.00 70.40 H new ATOM 0 HB2 GLN A 69 15.961 -0.050 16.321 1.00 13.02 H new ATOM 0 HB3 GLN A 69 17.508 0.742 16.542 1.00 13.02 H new ATOM 0 HG2 GLN A 69 16.465 2.315 18.162 1.00 70.31 H new ATOM 0 HG3 GLN A 69 14.924 1.509 17.946 1.00 70.31 H new ATOM 0 HE21 GLN A 69 14.584 0.640 19.941 1.00 51.42 H new ATOM 0 HE22 GLN A 69 15.668 -0.524 20.711 1.00 51.42 H new ATOM 1127 N GLN A 70 17.042 0.947 13.438 1.00 21.15 N ATOM 1128 CA GLN A 70 18.007 0.826 12.352 1.00 72.22 C ATOM 1129 C GLN A 70 17.793 1.919 11.310 1.00 60.11 C ATOM 1130 O GLN A 70 18.737 2.357 10.653 1.00 20.21 O ATOM 1131 CB GLN A 70 17.896 -0.551 11.694 1.00 11.22 C ATOM 1132 CG GLN A 70 18.489 -1.674 12.530 1.00 50.32 C ATOM 1133 CD GLN A 70 19.980 -1.513 12.749 1.00 64.23 C ATOM 1134 OE1 GLN A 70 20.425 -1.170 13.845 1.00 63.35 O ATOM 1135 NE2 GLN A 70 20.762 -1.761 11.705 1.00 44.05 N ATOM 0 H GLN A 70 16.295 0.253 13.419 1.00 21.15 H new ATOM 0 HA GLN A 70 19.006 0.941 12.773 1.00 72.22 H new ATOM 0 HB2 GLN A 70 16.846 -0.769 11.501 1.00 11.22 H new ATOM 0 HB3 GLN A 70 18.399 -0.524 10.727 1.00 11.22 H new ATOM 0 HG2 GLN A 70 17.985 -1.708 13.496 1.00 50.32 H new ATOM 0 HG3 GLN A 70 18.299 -2.628 12.038 1.00 50.32 H new ATOM 0 HE21 GLN A 70 20.351 -2.043 10.815 1.00 44.05 H new ATOM 0 HE22 GLN A 70 21.774 -1.670 11.793 1.00 44.05 H new ATOM 1144 N ALA A 71 16.546 2.355 11.164 1.00 60.31 N ATOM 1145 CA ALA A 71 16.209 3.398 10.203 1.00 32.41 C ATOM 1146 C ALA A 71 17.121 4.609 10.364 1.00 24.44 C ATOM 1147 O ALA A 71 17.590 5.182 9.381 1.00 72.24 O ATOM 1148 CB ALA A 71 14.752 3.808 10.359 1.00 71.32 C ATOM 0 H ALA A 71 15.753 2.002 11.699 1.00 60.31 H new ATOM 0 HA ALA A 71 16.357 2.996 9.201 1.00 32.41 H new ATOM 0 HB1 ALA A 71 14.514 4.588 9.635 1.00 71.32 H new ATOM 0 HB2 ALA A 71 14.110 2.944 10.186 1.00 71.32 H new ATOM 0 HB3 ALA A 71 14.587 4.187 11.368 1.00 71.32 H new ATOM 1154 N LYS A 72 17.370 4.994 11.611 1.00 0.24 N ATOM 1155 CA LYS A 72 18.227 6.137 11.903 1.00 41.11 C ATOM 1156 C LYS A 72 19.594 5.974 11.246 1.00 71.14 C ATOM 1157 O LYS A 72 20.234 6.955 10.871 1.00 5.21 O ATOM 1158 CB LYS A 72 18.393 6.304 13.415 1.00 23.30 C ATOM 1159 CG LYS A 72 17.263 7.079 14.069 1.00 2.43 C ATOM 1160 CD LYS A 72 17.564 8.568 14.118 1.00 11.04 C ATOM 1161 CE LYS A 72 18.697 8.876 15.085 1.00 45.24 C ATOM 1162 NZ LYS A 72 18.787 10.331 15.389 1.00 50.23 N ATOM 0 H LYS A 72 16.990 4.531 12.436 1.00 0.24 H new ATOM 0 HA LYS A 72 17.751 7.029 11.495 1.00 41.11 H new ATOM 0 HB2 LYS A 72 18.461 5.318 13.876 1.00 23.30 H new ATOM 0 HB3 LYS A 72 19.335 6.814 13.614 1.00 23.30 H new ATOM 0 HG2 LYS A 72 16.338 6.912 13.517 1.00 2.43 H new ATOM 0 HG3 LYS A 72 17.102 6.706 15.080 1.00 2.43 H new ATOM 0 HD2 LYS A 72 17.829 8.920 13.121 1.00 11.04 H new ATOM 0 HD3 LYS A 72 16.669 9.112 14.420 1.00 11.04 H new ATOM 0 HE2 LYS A 72 18.546 8.320 16.010 1.00 45.24 H new ATOM 0 HE3 LYS A 72 19.641 8.535 14.659 1.00 45.24 H new ATOM 0 HZ1 LYS A 72 19.571 10.499 16.051 1.00 50.23 H new ATOM 0 HZ2 LYS A 72 18.957 10.860 14.510 1.00 50.23 H new ATOM 0 HZ3 LYS A 72 17.896 10.652 15.819 1.00 50.23 H new ATOM 1176 N GLY A 73 20.034 4.727 11.107 1.00 21.12 N ATOM 1177 CA GLY A 73 21.322 4.458 10.494 1.00 55.54 C ATOM 1178 C GLY A 73 21.336 4.780 9.012 1.00 30.23 C ATOM 1179 O GLY A 73 22.355 5.213 8.475 1.00 10.03 O ATOM 0 H GLY A 73 19.521 3.898 11.408 1.00 21.12 H new ATOM 0 HA2 GLY A 73 22.090 5.044 10.998 1.00 55.54 H new ATOM 0 HA3 GLY A 73 21.577 3.408 10.637 1.00 55.54 H new ATOM 1183 N GLN A 74 20.203 4.566 8.351 1.00 63.42 N ATOM 1184 CA GLN A 74 20.091 4.833 6.922 1.00 43.41 C ATOM 1185 C GLN A 74 19.447 6.193 6.672 1.00 44.14 C ATOM 1186 O GLN A 74 18.952 6.466 5.578 1.00 34.41 O ATOM 1187 CB GLN A 74 19.275 3.736 6.238 1.00 34.52 C ATOM 1188 CG GLN A 74 19.624 2.334 6.711 1.00 32.41 C ATOM 1189 CD GLN A 74 21.117 2.129 6.877 1.00 73.42 C ATOM 1190 OE1 GLN A 74 21.914 2.606 6.069 1.00 70.21 O ATOM 1191 NE2 GLN A 74 21.503 1.416 7.928 1.00 24.42 N ATOM 0 H GLN A 74 19.350 4.209 8.782 1.00 63.42 H new ATOM 0 HA GLN A 74 21.096 4.843 6.500 1.00 43.41 H new ATOM 0 HB2 GLN A 74 18.215 3.918 6.417 1.00 34.52 H new ATOM 0 HB3 GLN A 74 19.431 3.797 5.161 1.00 34.52 H new ATOM 0 HG2 GLN A 74 19.127 2.141 7.662 1.00 32.41 H new ATOM 0 HG3 GLN A 74 19.239 1.607 5.996 1.00 32.41 H new ATOM 0 HE21 GLN A 74 20.807 1.040 8.572 1.00 24.42 H new ATOM 0 HE22 GLN A 74 22.495 1.245 8.091 1.00 24.42 H new ATOM 1200 N LYS A 75 19.458 7.044 7.692 1.00 31.12 N ATOM 1201 CA LYS A 75 18.876 8.376 7.584 1.00 10.40 C ATOM 1202 C LYS A 75 17.422 8.300 7.129 1.00 62.03 C ATOM 1203 O LYS A 75 17.033 8.943 6.153 1.00 2.02 O ATOM 1204 CB LYS A 75 19.684 9.230 6.604 1.00 1.33 C ATOM 1205 CG LYS A 75 21.091 9.542 7.086 1.00 75.10 C ATOM 1206 CD LYS A 75 22.079 8.475 6.647 1.00 24.14 C ATOM 1207 CE LYS A 75 23.506 9.002 6.653 1.00 63.55 C ATOM 1208 NZ LYS A 75 24.480 7.971 6.197 1.00 73.31 N ATOM 0 H LYS A 75 19.864 6.834 8.604 1.00 31.12 H new ATOM 0 HA LYS A 75 18.906 8.839 8.570 1.00 10.40 H new ATOM 0 HB2 LYS A 75 19.743 8.712 5.647 1.00 1.33 H new ATOM 0 HB3 LYS A 75 19.154 10.166 6.428 1.00 1.33 H new ATOM 0 HG2 LYS A 75 21.404 10.511 6.697 1.00 75.10 H new ATOM 0 HG3 LYS A 75 21.096 9.619 8.173 1.00 75.10 H new ATOM 0 HD2 LYS A 75 22.005 7.614 7.311 1.00 24.14 H new ATOM 0 HD3 LYS A 75 21.822 8.129 5.646 1.00 24.14 H new ATOM 0 HE2 LYS A 75 23.573 9.876 6.006 1.00 63.55 H new ATOM 0 HE3 LYS A 75 23.768 9.329 7.659 1.00 63.55 H new ATOM 0 HZ1 LYS A 75 25.441 8.369 6.215 1.00 73.31 H new ATOM 0 HZ2 LYS A 75 24.435 7.147 6.829 1.00 73.31 H new ATOM 0 HZ3 LYS A 75 24.246 7.677 5.227 1.00 73.31 H new ATOM 1222 N ILE A 76 16.624 7.512 7.841 1.00 24.22 N ATOM 1223 CA ILE A 76 15.213 7.354 7.511 1.00 5.40 C ATOM 1224 C ILE A 76 14.324 7.915 8.616 1.00 25.20 C ATOM 1225 O ILE A 76 14.293 7.388 9.729 1.00 64.15 O ATOM 1226 CB ILE A 76 14.852 5.876 7.277 1.00 74.12 C ATOM 1227 CG1 ILE A 76 15.868 5.222 6.339 1.00 24.30 C ATOM 1228 CG2 ILE A 76 13.446 5.758 6.707 1.00 13.53 C ATOM 1229 CD1 ILE A 76 15.624 3.746 6.118 1.00 72.54 C ATOM 0 H ILE A 76 16.931 6.973 8.651 1.00 24.22 H new ATOM 0 HA ILE A 76 15.040 7.912 6.591 1.00 5.40 H new ATOM 0 HB ILE A 76 14.881 5.355 8.234 1.00 74.12 H new ATOM 0 HG12 ILE A 76 15.844 5.734 5.377 1.00 24.30 H new ATOM 0 HG13 ILE A 76 16.869 5.359 6.748 1.00 24.30 H new ATOM 0 HG21 ILE A 76 13.205 4.707 6.547 1.00 13.53 H new ATOM 0 HG22 ILE A 76 12.732 6.191 7.407 1.00 13.53 H new ATOM 0 HG23 ILE A 76 13.392 6.291 5.758 1.00 13.53 H new ATOM 0 HD11 ILE A 76 16.382 3.349 5.443 1.00 72.54 H new ATOM 0 HD12 ILE A 76 15.677 3.222 7.072 1.00 72.54 H new ATOM 0 HD13 ILE A 76 14.637 3.602 5.679 1.00 72.54 H new ATOM 1241 N ILE A 77 13.602 8.985 8.301 1.00 20.51 N ATOM 1242 CA ILE A 77 12.710 9.614 9.266 1.00 11.45 C ATOM 1243 C ILE A 77 11.253 9.270 8.975 1.00 42.41 C ATOM 1244 O ILE A 77 10.411 9.283 9.872 1.00 2.32 O ATOM 1245 CB ILE A 77 12.873 11.146 9.268 1.00 25.24 C ATOM 1246 CG1 ILE A 77 14.331 11.525 9.538 1.00 22.50 C ATOM 1247 CG2 ILE A 77 11.956 11.775 10.306 1.00 4.15 C ATOM 1248 CD1 ILE A 77 15.181 11.583 8.288 1.00 24.23 C ATOM 0 H ILE A 77 13.618 9.434 7.385 1.00 20.51 H new ATOM 0 HA ILE A 77 12.983 9.226 10.247 1.00 11.45 H new ATOM 0 HB ILE A 77 12.594 11.528 8.286 1.00 25.24 H new ATOM 0 HG12 ILE A 77 14.360 12.496 10.033 1.00 22.50 H new ATOM 0 HG13 ILE A 77 14.764 10.802 10.229 1.00 22.50 H new ATOM 0 HG21 ILE A 77 12.083 12.858 10.295 1.00 4.15 H new ATOM 0 HG22 ILE A 77 10.920 11.529 10.073 1.00 4.15 H new ATOM 0 HG23 ILE A 77 12.207 11.390 11.294 1.00 4.15 H new ATOM 0 HD11 ILE A 77 16.202 11.857 8.554 1.00 24.23 H new ATOM 0 HD12 ILE A 77 15.182 10.607 7.803 1.00 24.23 H new ATOM 0 HD13 ILE A 77 14.772 12.327 7.604 1.00 24.23 H new ATOM 1260 N GLN A 78 10.965 8.962 7.715 1.00 73.52 N ATOM 1261 CA GLN A 78 9.609 8.613 7.305 1.00 25.54 C ATOM 1262 C GLN A 78 9.067 7.460 8.144 1.00 2.03 C ATOM 1263 O GLN A 78 7.890 7.442 8.505 1.00 23.44 O ATOM 1264 CB GLN A 78 9.583 8.237 5.823 1.00 73.41 C ATOM 1265 CG GLN A 78 8.322 8.687 5.104 1.00 54.34 C ATOM 1266 CD GLN A 78 8.332 10.168 4.780 1.00 12.33 C ATOM 1267 OE1 GLN A 78 7.393 10.894 5.109 1.00 33.22 O ATOM 1268 NE2 GLN A 78 9.397 10.626 4.133 1.00 71.24 N ATOM 0 H GLN A 78 11.651 8.947 6.961 1.00 73.52 H new ATOM 0 HA GLN A 78 8.973 9.484 7.463 1.00 25.54 H new ATOM 0 HB2 GLN A 78 10.449 8.677 5.330 1.00 73.41 H new ATOM 0 HB3 GLN A 78 9.678 7.155 5.729 1.00 73.41 H new ATOM 0 HG2 GLN A 78 8.212 8.118 4.181 1.00 54.34 H new ATOM 0 HG3 GLN A 78 7.454 8.460 5.724 1.00 54.34 H new ATOM 0 HE21 GLN A 78 10.153 9.989 3.880 1.00 71.24 H new ATOM 0 HE22 GLN A 78 9.460 11.615 3.889 1.00 71.24 H new ATOM 1277 N PHE A 79 9.933 6.499 8.451 1.00 53.42 N ATOM 1278 CA PHE A 79 9.540 5.342 9.246 1.00 22.03 C ATOM 1279 C PHE A 79 9.385 5.720 10.716 1.00 30.25 C ATOM 1280 O PHE A 79 8.459 5.267 11.389 1.00 25.13 O ATOM 1281 CB PHE A 79 10.574 4.223 9.102 1.00 52.10 C ATOM 1282 CG PHE A 79 10.034 2.991 8.434 1.00 42.05 C ATOM 1283 CD1 PHE A 79 8.848 2.418 8.862 1.00 73.22 C ATOM 1284 CD2 PHE A 79 10.713 2.406 7.377 1.00 40.54 C ATOM 1285 CE1 PHE A 79 8.349 1.284 8.249 1.00 65.31 C ATOM 1286 CE2 PHE A 79 10.219 1.272 6.759 1.00 4.44 C ATOM 1287 CZ PHE A 79 9.035 0.711 7.196 1.00 65.03 C ATOM 0 H PHE A 79 10.911 6.499 8.161 1.00 53.42 H new ATOM 0 HA PHE A 79 8.578 4.988 8.876 1.00 22.03 H new ATOM 0 HB2 PHE A 79 11.423 4.595 8.529 1.00 52.10 H new ATOM 0 HB3 PHE A 79 10.949 3.956 10.090 1.00 52.10 H new ATOM 0 HD1 PHE A 79 8.307 2.862 9.684 1.00 73.22 H new ATOM 0 HD2 PHE A 79 11.639 2.841 7.032 1.00 40.54 H new ATOM 0 HE1 PHE A 79 7.424 0.846 8.593 1.00 65.31 H new ATOM 0 HE2 PHE A 79 10.758 0.826 5.936 1.00 4.44 H new ATOM 0 HZ PHE A 79 8.646 -0.174 6.715 1.00 65.03 H new ATOM 1297 N GLN A 80 10.298 6.552 11.207 1.00 21.20 N ATOM 1298 CA GLN A 80 10.263 6.989 12.597 1.00 5.45 C ATOM 1299 C GLN A 80 8.975 7.749 12.897 1.00 4.12 C ATOM 1300 O GLN A 80 8.334 7.522 13.923 1.00 13.00 O ATOM 1301 CB GLN A 80 11.474 7.872 12.907 1.00 51.25 C ATOM 1302 CG GLN A 80 12.797 7.268 12.464 1.00 33.55 C ATOM 1303 CD GLN A 80 13.785 7.128 13.606 1.00 71.14 C ATOM 1304 OE1 GLN A 80 14.046 6.024 14.084 1.00 22.22 O ATOM 1305 NE2 GLN A 80 14.341 8.250 14.048 1.00 33.43 N ATOM 0 H GLN A 80 11.070 6.937 10.663 1.00 21.20 H new ATOM 0 HA GLN A 80 10.296 6.103 13.231 1.00 5.45 H new ATOM 0 HB2 GLN A 80 11.343 8.838 12.419 1.00 51.25 H new ATOM 0 HB3 GLN A 80 11.511 8.060 13.980 1.00 51.25 H new ATOM 0 HG2 GLN A 80 12.615 6.288 12.023 1.00 33.55 H new ATOM 0 HG3 GLN A 80 13.234 7.892 11.684 1.00 33.55 H new ATOM 0 HE21 GLN A 80 14.095 9.143 13.622 1.00 33.43 H new ATOM 0 HE22 GLN A 80 15.014 8.218 14.814 1.00 33.43 H new ATOM 1314 N ASP A 81 8.603 8.651 11.996 1.00 44.30 N ATOM 1315 CA ASP A 81 7.391 9.444 12.164 1.00 41.45 C ATOM 1316 C ASP A 81 6.147 8.582 11.977 1.00 60.44 C ATOM 1317 O ASP A 81 5.159 8.736 12.694 1.00 31.13 O ATOM 1318 CB ASP A 81 7.375 10.607 11.169 1.00 30.43 C ATOM 1319 CG ASP A 81 6.036 11.317 11.131 1.00 62.14 C ATOM 1320 OD1 ASP A 81 5.458 11.551 12.212 1.00 11.22 O ATOM 1321 OD2 ASP A 81 5.566 11.638 10.019 1.00 62.33 O ATOM 0 H ASP A 81 9.123 8.851 11.142 1.00 44.30 H new ATOM 0 HA ASP A 81 7.385 9.843 13.178 1.00 41.45 H new ATOM 0 HB2 ASP A 81 8.154 11.321 11.436 1.00 30.43 H new ATOM 0 HB3 ASP A 81 7.613 10.233 10.173 1.00 30.43 H new ATOM 1326 N SER A 82 6.203 7.674 11.007 1.00 32.12 N ATOM 1327 CA SER A 82 5.079 6.790 10.722 1.00 32.44 C ATOM 1328 C SER A 82 4.810 5.857 11.899 1.00 31.42 C ATOM 1329 O SER A 82 3.663 5.663 12.304 1.00 42.05 O ATOM 1330 CB SER A 82 5.354 5.970 9.460 1.00 1.40 C ATOM 1331 OG SER A 82 6.377 5.016 9.685 1.00 71.44 O ATOM 0 H SER A 82 7.015 7.532 10.406 1.00 32.12 H new ATOM 0 HA SER A 82 4.195 7.407 10.560 1.00 32.44 H new ATOM 0 HB2 SER A 82 4.442 5.463 9.146 1.00 1.40 H new ATOM 0 HB3 SER A 82 5.645 6.635 8.647 1.00 1.40 H new ATOM 0 HG SER A 82 7.072 5.410 10.252 1.00 71.44 H new ATOM 1337 N PHE A 83 5.876 5.281 12.445 1.00 71.51 N ATOM 1338 CA PHE A 83 5.757 4.367 13.575 1.00 75.51 C ATOM 1339 C PHE A 83 5.560 5.136 14.878 1.00 31.41 C ATOM 1340 O PHE A 83 4.993 4.616 15.839 1.00 42.43 O ATOM 1341 CB PHE A 83 7.000 3.481 13.675 1.00 30.41 C ATOM 1342 CG PHE A 83 6.861 2.169 12.956 1.00 2.21 C ATOM 1343 CD1 PHE A 83 5.787 1.333 13.214 1.00 51.01 C ATOM 1344 CD2 PHE A 83 7.805 1.772 12.023 1.00 44.31 C ATOM 1345 CE1 PHE A 83 5.656 0.126 12.554 1.00 71.32 C ATOM 1346 CE2 PHE A 83 7.679 0.566 11.359 1.00 4.54 C ATOM 1347 CZ PHE A 83 6.604 -0.258 11.626 1.00 21.41 C ATOM 0 H PHE A 83 6.832 5.431 12.123 1.00 71.51 H new ATOM 0 HA PHE A 83 4.883 3.737 13.410 1.00 75.51 H new ATOM 0 HB2 PHE A 83 7.855 4.021 13.267 1.00 30.41 H new ATOM 0 HB3 PHE A 83 7.216 3.289 14.726 1.00 30.41 H new ATOM 0 HD1 PHE A 83 5.043 1.628 13.939 1.00 51.01 H new ATOM 0 HD2 PHE A 83 8.649 2.412 11.812 1.00 44.31 H new ATOM 0 HE1 PHE A 83 4.813 -0.516 12.764 1.00 71.32 H new ATOM 0 HE2 PHE A 83 8.421 0.269 10.632 1.00 4.54 H new ATOM 0 HZ PHE A 83 6.505 -1.201 11.110 1.00 21.41 H new ATOM 1357 N GLY A 84 6.034 6.378 14.903 1.00 74.24 N ATOM 1358 CA GLY A 84 5.901 7.199 16.092 1.00 63.20 C ATOM 1359 C GLY A 84 4.503 7.761 16.256 1.00 43.33 C ATOM 1360 O GLY A 84 4.034 7.964 17.376 1.00 44.11 O ATOM 0 H GLY A 84 6.508 6.830 14.121 1.00 74.24 H new ATOM 0 HA2 GLY A 84 6.156 6.605 16.970 1.00 63.20 H new ATOM 0 HA3 GLY A 84 6.616 8.020 16.044 1.00 63.20 H new ATOM 1364 N LYS A 85 3.835 8.016 15.136 1.00 51.01 N ATOM 1365 CA LYS A 85 2.482 8.559 15.159 1.00 50.25 C ATOM 1366 C LYS A 85 1.476 7.496 15.587 1.00 31.12 C ATOM 1367 O LYS A 85 0.321 7.803 15.883 1.00 1.14 O ATOM 1368 CB LYS A 85 2.106 9.105 13.779 1.00 4.32 C ATOM 1369 CG LYS A 85 2.076 8.044 12.693 1.00 53.43 C ATOM 1370 CD LYS A 85 0.967 8.308 11.687 1.00 30.45 C ATOM 1371 CE LYS A 85 1.268 9.529 10.833 1.00 41.13 C ATOM 1372 NZ LYS A 85 2.064 9.178 9.624 1.00 31.20 N ATOM 0 H LYS A 85 4.209 7.855 14.201 1.00 51.01 H new ATOM 0 HA LYS A 85 2.456 9.372 15.885 1.00 50.25 H new ATOM 0 HB2 LYS A 85 1.126 9.579 13.840 1.00 4.32 H new ATOM 0 HB3 LYS A 85 2.818 9.881 13.498 1.00 4.32 H new ATOM 0 HG2 LYS A 85 3.037 8.021 12.179 1.00 53.43 H new ATOM 0 HG3 LYS A 85 1.932 7.063 13.145 1.00 53.43 H new ATOM 0 HD2 LYS A 85 0.841 7.436 11.045 1.00 30.45 H new ATOM 0 HD3 LYS A 85 0.024 8.455 12.214 1.00 30.45 H new ATOM 0 HE2 LYS A 85 0.333 9.998 10.528 1.00 41.13 H new ATOM 0 HE3 LYS A 85 1.814 10.262 11.427 1.00 41.13 H new ATOM 0 HZ1 LYS A 85 2.893 9.803 9.561 1.00 31.20 H new ATOM 0 HZ2 LYS A 85 2.380 8.190 9.691 1.00 31.20 H new ATOM 0 HZ3 LYS A 85 1.476 9.296 8.775 1.00 31.20 H new ATOM 1386 N VAL A 86 1.922 6.244 15.619 1.00 1.13 N ATOM 1387 CA VAL A 86 1.061 5.136 16.014 1.00 23.44 C ATOM 1388 C VAL A 86 1.642 4.388 17.210 1.00 52.14 C ATOM 1389 O VAL A 86 0.998 3.504 17.774 1.00 41.01 O ATOM 1390 CB VAL A 86 0.855 4.144 14.854 1.00 54.21 C ATOM 1391 CG1 VAL A 86 0.260 4.852 13.646 1.00 11.31 C ATOM 1392 CG2 VAL A 86 2.168 3.467 14.492 1.00 33.11 C ATOM 0 H VAL A 86 2.875 5.972 15.376 1.00 1.13 H new ATOM 0 HA VAL A 86 0.098 5.566 16.290 1.00 23.44 H new ATOM 0 HB VAL A 86 0.153 3.375 15.177 1.00 54.21 H new ATOM 0 HG11 VAL A 86 0.121 4.136 12.836 1.00 11.31 H new ATOM 0 HG12 VAL A 86 -0.703 5.285 13.916 1.00 11.31 H new ATOM 0 HG13 VAL A 86 0.935 5.643 13.319 1.00 11.31 H new ATOM 0 HG21 VAL A 86 2.003 2.770 13.671 1.00 33.11 H new ATOM 0 HG22 VAL A 86 2.894 4.221 14.188 1.00 33.11 H new ATOM 0 HG23 VAL A 86 2.549 2.925 15.358 1.00 33.11 H new ATOM 1402 N ALA A 87 2.863 4.750 17.591 1.00 75.23 N ATOM 1403 CA ALA A 87 3.529 4.115 18.721 1.00 44.22 C ATOM 1404 C ALA A 87 2.894 4.537 20.041 1.00 14.21 C ATOM 1405 O ALA A 87 2.455 3.697 20.826 1.00 54.21 O ATOM 1406 CB ALA A 87 5.013 4.453 18.716 1.00 60.44 C ATOM 0 H ALA A 87 3.410 5.479 17.134 1.00 75.23 H new ATOM 0 HA ALA A 87 3.412 3.036 18.620 1.00 44.22 H new ATOM 0 HB1 ALA A 87 5.498 3.972 19.565 1.00 60.44 H new ATOM 0 HB2 ALA A 87 5.464 4.096 17.790 1.00 60.44 H new ATOM 0 HB3 ALA A 87 5.140 5.533 18.789 1.00 60.44 H new ATOM 1412 N ALA A 88 2.848 5.844 20.280 1.00 63.23 N ATOM 1413 CA ALA A 88 2.265 6.377 21.505 1.00 60.15 C ATOM 1414 C ALA A 88 0.844 5.862 21.705 1.00 31.43 C ATOM 1415 O ALA A 88 0.384 5.708 22.836 1.00 1.53 O ATOM 1416 CB ALA A 88 2.278 7.898 21.477 1.00 51.13 C ATOM 0 H ALA A 88 3.208 6.553 19.641 1.00 63.23 H new ATOM 0 HA ALA A 88 2.869 6.035 22.345 1.00 60.15 H new ATOM 0 HB1 ALA A 88 1.840 8.283 22.398 1.00 51.13 H new ATOM 0 HB2 ALA A 88 3.305 8.252 21.389 1.00 51.13 H new ATOM 0 HB3 ALA A 88 1.698 8.251 20.624 1.00 51.13 H new ATOM 1422 N GLU A 89 0.154 5.597 20.600 1.00 33.34 N ATOM 1423 CA GLU A 89 -1.216 5.100 20.657 1.00 52.00 C ATOM 1424 C GLU A 89 -1.243 3.618 21.019 1.00 20.10 C ATOM 1425 O GLU A 89 -1.822 3.225 22.032 1.00 4.12 O ATOM 1426 CB GLU A 89 -1.918 5.321 19.316 1.00 52.44 C ATOM 1427 CG GLU A 89 -3.431 5.408 19.427 1.00 11.14 C ATOM 1428 CD GLU A 89 -4.071 6.042 18.207 1.00 21.43 C ATOM 1429 OE1 GLU A 89 -3.790 7.228 17.938 1.00 14.23 O ATOM 1430 OE2 GLU A 89 -4.852 5.350 17.521 1.00 33.33 O ATOM 0 H GLU A 89 0.521 5.718 19.656 1.00 33.34 H new ATOM 0 HA GLU A 89 -1.745 5.655 21.432 1.00 52.00 H new ATOM 0 HB2 GLU A 89 -1.542 6.240 18.866 1.00 52.44 H new ATOM 0 HB3 GLU A 89 -1.658 4.506 18.641 1.00 52.44 H new ATOM 0 HG2 GLU A 89 -3.839 4.407 19.568 1.00 11.14 H new ATOM 0 HG3 GLU A 89 -3.694 5.987 20.312 1.00 11.14 H new ATOM 1437 N VAL A 90 -0.613 2.799 20.183 1.00 61.12 N ATOM 1438 CA VAL A 90 -0.563 1.360 20.414 1.00 54.22 C ATOM 1439 C VAL A 90 0.017 1.044 21.788 1.00 72.24 C ATOM 1440 O VAL A 90 -0.451 0.137 22.477 1.00 22.24 O ATOM 1441 CB VAL A 90 0.277 0.647 19.337 1.00 13.54 C ATOM 1442 CG1 VAL A 90 0.358 -0.844 19.624 1.00 74.22 C ATOM 1443 CG2 VAL A 90 -0.303 0.903 17.954 1.00 30.53 C ATOM 0 H VAL A 90 -0.130 3.107 19.339 1.00 61.12 H new ATOM 0 HA VAL A 90 -1.589 0.995 20.364 1.00 54.22 H new ATOM 0 HB VAL A 90 1.289 1.052 19.362 1.00 13.54 H new ATOM 0 HG11 VAL A 90 0.955 -1.331 18.853 1.00 74.22 H new ATOM 0 HG12 VAL A 90 0.823 -1.002 20.597 1.00 74.22 H new ATOM 0 HG13 VAL A 90 -0.646 -1.269 19.628 1.00 74.22 H new ATOM 0 HG21 VAL A 90 0.302 0.392 17.205 1.00 30.53 H new ATOM 0 HG22 VAL A 90 -1.325 0.526 17.913 1.00 30.53 H new ATOM 0 HG23 VAL A 90 -0.303 1.974 17.752 1.00 30.53 H new ATOM 1453 N LEU A 91 1.038 1.797 22.180 1.00 11.52 N ATOM 1454 CA LEU A 91 1.683 1.598 23.473 1.00 10.44 C ATOM 1455 C LEU A 91 0.654 1.586 24.599 1.00 32.21 C ATOM 1456 O LEU A 91 0.672 0.708 25.461 1.00 60.01 O ATOM 1457 CB LEU A 91 2.717 2.698 23.724 1.00 33.34 C ATOM 1458 CG LEU A 91 4.170 2.335 23.418 1.00 22.34 C ATOM 1459 CD1 LEU A 91 4.782 1.562 24.576 1.00 25.41 C ATOM 1460 CD2 LEU A 91 4.259 1.529 22.130 1.00 31.15 C ATOM 0 H LEU A 91 1.437 2.551 21.621 1.00 11.52 H new ATOM 0 HA LEU A 91 2.186 0.631 23.455 1.00 10.44 H new ATOM 0 HB2 LEU A 91 2.446 3.567 23.124 1.00 33.34 H new ATOM 0 HB3 LEU A 91 2.651 2.999 24.769 1.00 33.34 H new ATOM 0 HG LEU A 91 4.735 3.258 23.285 1.00 22.34 H new ATOM 0 HD11 LEU A 91 5.816 1.312 24.340 1.00 25.41 H new ATOM 0 HD12 LEU A 91 4.753 2.174 25.478 1.00 25.41 H new ATOM 0 HD13 LEU A 91 4.216 0.645 24.741 1.00 25.41 H new ATOM 0 HD21 LEU A 91 5.301 1.280 21.928 1.00 31.15 H new ATOM 0 HD22 LEU A 91 3.680 0.612 22.234 1.00 31.15 H new ATOM 0 HD23 LEU A 91 3.860 2.118 21.304 1.00 31.15 H new ATOM 1472 N GLY A 92 -0.245 2.566 24.584 1.00 60.43 N ATOM 1473 CA GLY A 92 -1.271 2.647 25.607 1.00 42.52 C ATOM 1474 C GLY A 92 -2.293 1.534 25.493 1.00 12.21 C ATOM 1475 O GLY A 92 -2.935 1.169 26.478 1.00 31.11 O ATOM 0 H GLY A 92 -0.281 3.305 23.882 1.00 60.43 H new ATOM 0 HA2 GLY A 92 -0.803 2.607 26.591 1.00 42.52 H new ATOM 0 HA3 GLY A 92 -1.777 3.610 25.534 1.00 42.52 H new ATOM 1479 N ARG A 93 -2.447 0.994 24.288 1.00 5.54 N ATOM 1480 CA ARG A 93 -3.400 -0.082 24.049 1.00 15.31 C ATOM 1481 C ARG A 93 -2.826 -1.425 24.489 1.00 71.20 C ATOM 1482 O ARG A 93 -3.542 -2.272 25.025 1.00 40.22 O ATOM 1483 CB ARG A 93 -3.778 -0.137 22.568 1.00 54.02 C ATOM 1484 CG ARG A 93 -4.945 0.767 22.203 1.00 63.34 C ATOM 1485 CD ARG A 93 -6.279 0.080 22.448 1.00 13.42 C ATOM 1486 NE ARG A 93 -7.339 1.038 22.755 1.00 23.44 N ATOM 1487 CZ ARG A 93 -7.866 1.863 21.858 1.00 11.22 C ATOM 1488 NH1 ARG A 93 -7.435 1.848 20.605 1.00 41.15 N ATOM 1489 NH2 ARG A 93 -8.827 2.706 22.214 1.00 32.24 N ATOM 0 H ARG A 93 -1.923 1.285 23.462 1.00 5.54 H new ATOM 0 HA ARG A 93 -4.294 0.121 24.638 1.00 15.31 H new ATOM 0 HB2 ARG A 93 -2.911 0.144 21.970 1.00 54.02 H new ATOM 0 HB3 ARG A 93 -4.029 -1.164 22.304 1.00 54.02 H new ATOM 0 HG2 ARG A 93 -4.894 1.684 22.790 1.00 63.34 H new ATOM 0 HG3 ARG A 93 -4.870 1.055 21.154 1.00 63.34 H new ATOM 0 HD2 ARG A 93 -6.557 -0.498 21.567 1.00 13.42 H new ATOM 0 HD3 ARG A 93 -6.178 -0.625 23.273 1.00 13.42 H new ATOM 0 HE ARG A 93 -7.693 1.075 23.711 1.00 23.44 H new ATOM 0 HH11 ARG A 93 -6.697 1.201 20.327 1.00 41.15 H new ATOM 0 HH12 ARG A 93 -7.842 2.483 19.918 1.00 41.15 H new ATOM 0 HH21 ARG A 93 -9.161 2.721 23.177 1.00 32.24 H new ATOM 0 HH22 ARG A 93 -9.231 3.339 21.524 1.00 32.24 H new ATOM 1503 N ILE A 94 -1.531 -1.613 24.258 1.00 31.13 N ATOM 1504 CA ILE A 94 -0.861 -2.853 24.631 1.00 13.22 C ATOM 1505 C ILE A 94 -0.451 -2.836 26.100 1.00 43.43 C ATOM 1506 O ILE A 94 -0.422 -3.874 26.759 1.00 42.03 O ATOM 1507 CB ILE A 94 0.387 -3.101 23.764 1.00 72.43 C ATOM 1508 CG1 ILE A 94 1.440 -2.024 24.027 1.00 44.42 C ATOM 1509 CG2 ILE A 94 0.010 -3.133 22.290 1.00 12.21 C ATOM 1510 CD1 ILE A 94 2.697 -2.193 23.202 1.00 22.13 C ATOM 0 H ILE A 94 -0.925 -0.923 23.814 1.00 31.13 H new ATOM 0 HA ILE A 94 -1.575 -3.660 24.465 1.00 13.22 H new ATOM 0 HB ILE A 94 0.811 -4.069 24.032 1.00 72.43 H new ATOM 0 HG12 ILE A 94 1.007 -1.046 23.818 1.00 44.42 H new ATOM 0 HG13 ILE A 94 1.705 -2.037 25.084 1.00 44.42 H new ATOM 0 HG21 ILE A 94 0.903 -3.309 21.690 1.00 12.21 H new ATOM 0 HG22 ILE A 94 -0.708 -3.934 22.115 1.00 12.21 H new ATOM 0 HG23 ILE A 94 -0.435 -2.179 22.007 1.00 12.21 H new ATOM 0 HD11 ILE A 94 3.399 -1.394 23.441 1.00 22.13 H new ATOM 0 HD12 ILE A 94 3.154 -3.157 23.428 1.00 22.13 H new ATOM 0 HD13 ILE A 94 2.445 -2.150 22.142 1.00 22.13 H new ATOM 1522 N ASN A 95 -0.135 -1.648 26.606 1.00 33.04 N ATOM 1523 CA ASN A 95 0.273 -1.495 27.998 1.00 14.22 C ATOM 1524 C ASN A 95 -0.817 -1.994 28.942 1.00 21.05 C ATOM 1525 O ASN A 95 -0.527 -2.513 30.020 1.00 11.11 O ATOM 1526 CB ASN A 95 0.592 -0.029 28.299 1.00 32.14 C ATOM 1527 CG ASN A 95 1.026 0.184 29.737 1.00 44.55 C ATOM 1528 OD1 ASN A 95 2.210 0.085 30.060 1.00 30.42 O ATOM 1529 ND2 ASN A 95 0.068 0.480 30.607 1.00 73.13 N ATOM 0 H ASN A 95 -0.154 -0.778 26.074 1.00 33.04 H new ATOM 0 HA ASN A 95 1.169 -2.095 28.156 1.00 14.22 H new ATOM 0 HB2 ASN A 95 1.381 0.313 27.630 1.00 32.14 H new ATOM 0 HB3 ASN A 95 -0.287 0.581 28.093 1.00 32.14 H new ATOM 0 HD21 ASN A 95 0.300 0.636 31.588 1.00 73.13 H new ATOM 0 HD22 ASN A 95 -0.900 0.552 30.295 1.00 73.13 H new ATOM 1536 N GLN A 96 -2.070 -1.834 28.529 1.00 2.51 N ATOM 1537 CA GLN A 96 -3.202 -2.268 29.338 1.00 33.03 C ATOM 1538 C GLN A 96 -3.510 -3.742 29.098 1.00 65.33 C ATOM 1539 O GLN A 96 -3.716 -4.505 30.041 1.00 2.53 O ATOM 1540 CB GLN A 96 -4.436 -1.420 29.024 1.00 1.12 C ATOM 1541 CG GLN A 96 -4.244 0.061 29.308 1.00 52.21 C ATOM 1542 CD GLN A 96 -5.448 0.892 28.910 1.00 11.21 C ATOM 1543 OE1 GLN A 96 -6.486 0.860 29.573 1.00 65.13 O ATOM 1544 NE2 GLN A 96 -5.316 1.643 27.823 1.00 53.30 N ATOM 0 H GLN A 96 -2.327 -1.407 27.639 1.00 2.51 H new ATOM 0 HA GLN A 96 -2.937 -2.137 30.387 1.00 33.03 H new ATOM 0 HB2 GLN A 96 -4.698 -1.549 27.974 1.00 1.12 H new ATOM 0 HB3 GLN A 96 -5.278 -1.788 29.610 1.00 1.12 H new ATOM 0 HG2 GLN A 96 -4.046 0.201 30.371 1.00 52.21 H new ATOM 0 HG3 GLN A 96 -3.366 0.419 28.770 1.00 52.21 H new ATOM 0 HE21 GLN A 96 -4.438 1.639 27.304 1.00 53.30 H new ATOM 0 HE22 GLN A 96 -6.093 2.224 27.507 1.00 53.30 H new ATOM 1553 N GLU A 97 -3.539 -4.136 27.828 1.00 25.33 N ATOM 1554 CA GLU A 97 -3.822 -5.520 27.465 1.00 51.32 C ATOM 1555 C GLU A 97 -2.705 -6.446 27.937 1.00 71.12 C ATOM 1556 O GLU A 97 -2.894 -7.658 28.049 1.00 11.52 O ATOM 1557 CB GLU A 97 -3.999 -5.646 25.950 1.00 22.42 C ATOM 1558 CG GLU A 97 -5.317 -5.087 25.442 1.00 32.24 C ATOM 1559 CD GLU A 97 -6.420 -6.127 25.415 1.00 33.32 C ATOM 1560 OE1 GLU A 97 -6.422 -7.013 26.296 1.00 4.20 O ATOM 1561 OE2 GLU A 97 -7.281 -6.056 24.514 1.00 75.20 O ATOM 0 H GLU A 97 -3.370 -3.517 27.035 1.00 25.33 H new ATOM 0 HA GLU A 97 -4.748 -5.817 27.958 1.00 51.32 H new ATOM 0 HB2 GLU A 97 -3.179 -5.128 25.453 1.00 22.42 H new ATOM 0 HB3 GLU A 97 -3.928 -6.697 25.671 1.00 22.42 H new ATOM 0 HG2 GLU A 97 -5.623 -4.255 26.076 1.00 32.24 H new ATOM 0 HG3 GLU A 97 -5.175 -4.687 24.438 1.00 32.24 H new ATOM 1568 N PHE A 98 -1.541 -5.867 28.211 1.00 22.42 N ATOM 1569 CA PHE A 98 -0.392 -6.640 28.670 1.00 72.14 C ATOM 1570 C PHE A 98 -0.464 -6.880 30.175 1.00 62.22 C ATOM 1571 O PHE A 98 -0.836 -6.001 30.952 1.00 2.12 O ATOM 1572 CB PHE A 98 0.909 -5.916 28.319 1.00 63.14 C ATOM 1573 CG PHE A 98 1.353 -6.135 26.901 1.00 65.24 C ATOM 1574 CD1 PHE A 98 0.459 -6.582 25.942 1.00 70.43 C ATOM 1575 CD2 PHE A 98 2.666 -5.894 26.527 1.00 72.32 C ATOM 1576 CE1 PHE A 98 0.864 -6.785 24.636 1.00 43.42 C ATOM 1577 CE2 PHE A 98 3.077 -6.094 25.222 1.00 33.45 C ATOM 1578 CZ PHE A 98 2.175 -6.541 24.276 1.00 23.21 C ATOM 0 H PHE A 98 -1.368 -4.866 28.123 1.00 22.42 H new ATOM 0 HA PHE A 98 -0.410 -7.606 28.165 1.00 72.14 H new ATOM 0 HB2 PHE A 98 0.778 -4.847 28.489 1.00 63.14 H new ATOM 0 HB3 PHE A 98 1.696 -6.252 28.994 1.00 63.14 H new ATOM 0 HD1 PHE A 98 -0.567 -6.774 26.218 1.00 70.43 H new ATOM 0 HD2 PHE A 98 3.376 -5.546 27.263 1.00 72.32 H new ATOM 0 HE1 PHE A 98 0.156 -7.134 23.898 1.00 43.42 H new ATOM 0 HE2 PHE A 98 4.102 -5.901 24.943 1.00 33.45 H new ATOM 0 HZ PHE A 98 2.494 -6.699 23.257 1.00 23.21 H new ATOM 1588 N PRO A 99 -0.100 -8.100 30.597 1.00 63.22 N ATOM 1589 CA PRO A 99 -0.114 -8.485 32.011 1.00 21.41 C ATOM 1590 C PRO A 99 0.970 -7.776 32.816 1.00 71.30 C ATOM 1591 O PRO A 99 1.841 -7.114 32.253 1.00 65.14 O ATOM 1592 CB PRO A 99 0.150 -9.993 31.971 1.00 50.32 C ATOM 1593 CG PRO A 99 0.889 -10.214 30.696 1.00 11.03 C ATOM 1594 CD PRO A 99 0.354 -9.197 29.726 1.00 64.32 C ATOM 0 HA PRO A 99 -1.051 -8.215 32.497 1.00 21.41 H new ATOM 0 HB2 PRO A 99 0.738 -10.315 32.830 1.00 50.32 H new ATOM 0 HB3 PRO A 99 -0.781 -10.559 31.992 1.00 50.32 H new ATOM 0 HG2 PRO A 99 1.962 -10.089 30.840 1.00 11.03 H new ATOM 0 HG3 PRO A 99 0.733 -11.227 30.325 1.00 11.03 H new ATOM 0 HD2 PRO A 99 1.122 -8.864 29.028 1.00 64.32 H new ATOM 0 HD3 PRO A 99 -0.464 -9.602 29.130 1.00 64.32 H new ATOM 1602 N ARG A 100 0.910 -7.920 34.136 1.00 54.31 N ATOM 1603 CA ARG A 100 1.886 -7.292 35.018 1.00 51.10 C ATOM 1604 C ARG A 100 3.302 -7.738 34.666 1.00 2.32 C ATOM 1605 O ARG A 100 4.275 -7.050 34.976 1.00 2.02 O ATOM 1606 CB ARG A 100 1.580 -7.633 36.477 1.00 20.25 C ATOM 1607 CG ARG A 100 2.209 -6.672 37.473 1.00 41.35 C ATOM 1608 CD ARG A 100 2.345 -7.304 38.849 1.00 60.33 C ATOM 1609 NE ARG A 100 3.290 -8.418 38.848 1.00 4.54 N ATOM 1610 CZ ARG A 100 3.808 -8.942 39.953 1.00 22.25 C ATOM 1611 NH1 ARG A 100 3.474 -8.457 41.141 1.00 33.43 N ATOM 1612 NH2 ARG A 100 4.662 -9.954 39.872 1.00 63.44 N ATOM 0 H ARG A 100 0.196 -8.466 34.618 1.00 54.31 H new ATOM 0 HA ARG A 100 1.819 -6.212 34.883 1.00 51.10 H new ATOM 0 HB2 ARG A 100 0.500 -7.637 36.621 1.00 20.25 H new ATOM 0 HB3 ARG A 100 1.933 -8.643 36.687 1.00 20.25 H new ATOM 0 HG2 ARG A 100 3.191 -6.366 37.114 1.00 41.35 H new ATOM 0 HG3 ARG A 100 1.600 -5.771 37.544 1.00 41.35 H new ATOM 0 HD2 ARG A 100 2.674 -6.550 39.564 1.00 60.33 H new ATOM 0 HD3 ARG A 100 1.370 -7.656 39.184 1.00 60.33 H new ATOM 0 HE ARG A 100 3.567 -8.815 37.950 1.00 4.54 H new ATOM 0 HH11 ARG A 100 2.817 -7.679 41.208 1.00 33.43 H new ATOM 0 HH12 ARG A 100 3.874 -8.862 41.988 1.00 33.43 H new ATOM 0 HH21 ARG A 100 4.922 -10.331 38.960 1.00 63.44 H new ATOM 0 HH22 ARG A 100 5.059 -10.355 40.721 1.00 63.44 H new ATOM 1626 N ASP A 101 3.410 -8.892 34.018 1.00 35.43 N ATOM 1627 CA ASP A 101 4.706 -9.430 33.624 1.00 64.22 C ATOM 1628 C ASP A 101 5.283 -8.650 32.446 1.00 34.32 C ATOM 1629 O ASP A 101 6.433 -8.212 32.481 1.00 24.52 O ATOM 1630 CB ASP A 101 4.579 -10.910 33.258 1.00 10.13 C ATOM 1631 CG ASP A 101 4.556 -11.808 34.479 1.00 23.04 C ATOM 1632 OD1 ASP A 101 5.646 -12.158 34.978 1.00 21.03 O ATOM 1633 OD2 ASP A 101 3.449 -12.162 34.936 1.00 53.32 O ATOM 0 H ASP A 101 2.615 -9.473 33.754 1.00 35.43 H new ATOM 0 HA ASP A 101 5.385 -9.330 34.471 1.00 64.22 H new ATOM 0 HB2 ASP A 101 3.666 -11.062 32.682 1.00 10.13 H new ATOM 0 HB3 ASP A 101 5.412 -11.195 32.616 1.00 10.13 H new ATOM 1638 N LEU A 102 4.476 -8.481 31.404 1.00 23.11 N ATOM 1639 CA LEU A 102 4.906 -7.755 30.214 1.00 0.42 C ATOM 1640 C LEU A 102 5.122 -6.277 30.526 1.00 32.35 C ATOM 1641 O LEU A 102 5.914 -5.602 29.869 1.00 11.43 O ATOM 1642 CB LEU A 102 3.870 -7.906 29.099 1.00 45.14 C ATOM 1643 CG LEU A 102 4.148 -9.002 28.069 1.00 31.24 C ATOM 1644 CD1 LEU A 102 4.311 -10.350 28.756 1.00 53.44 C ATOM 1645 CD2 LEU A 102 3.032 -9.059 27.037 1.00 52.04 C ATOM 0 H LEU A 102 3.521 -8.837 31.359 1.00 23.11 H new ATOM 0 HA LEU A 102 5.853 -8.180 29.882 1.00 0.42 H new ATOM 0 HB2 LEU A 102 2.900 -8.102 29.556 1.00 45.14 H new ATOM 0 HB3 LEU A 102 3.789 -6.954 28.574 1.00 45.14 H new ATOM 0 HG LEU A 102 5.079 -8.764 27.555 1.00 31.24 H new ATOM 0 HD11 LEU A 102 4.508 -11.118 28.008 1.00 53.44 H new ATOM 0 HD12 LEU A 102 5.145 -10.303 29.456 1.00 53.44 H new ATOM 0 HD13 LEU A 102 3.397 -10.596 29.296 1.00 53.44 H new ATOM 0 HD21 LEU A 102 3.246 -9.844 26.312 1.00 52.04 H new ATOM 0 HD22 LEU A 102 2.086 -9.273 27.535 1.00 52.04 H new ATOM 0 HD23 LEU A 102 2.962 -8.100 26.523 1.00 52.04 H new ATOM 1657 N LYS A 103 4.413 -5.782 31.535 1.00 3.44 N ATOM 1658 CA LYS A 103 4.529 -4.385 31.939 1.00 72.14 C ATOM 1659 C LYS A 103 5.947 -4.069 32.404 1.00 54.41 C ATOM 1660 O LYS A 103 6.413 -2.936 32.281 1.00 2.11 O ATOM 1661 CB LYS A 103 3.532 -4.072 33.057 1.00 52.44 C ATOM 1662 CG LYS A 103 2.099 -3.932 32.572 1.00 1.52 C ATOM 1663 CD LYS A 103 1.369 -2.819 33.306 1.00 73.22 C ATOM 1664 CE LYS A 103 1.620 -1.466 32.659 1.00 51.15 C ATOM 1665 NZ LYS A 103 2.780 -0.764 33.274 1.00 42.24 N ATOM 0 H LYS A 103 3.752 -6.327 32.088 1.00 3.44 H new ATOM 0 HA LYS A 103 4.302 -3.762 31.074 1.00 72.14 H new ATOM 0 HB2 LYS A 103 3.578 -4.863 33.805 1.00 52.44 H new ATOM 0 HB3 LYS A 103 3.831 -3.148 33.551 1.00 52.44 H new ATOM 0 HG2 LYS A 103 2.094 -3.727 31.501 1.00 1.52 H new ATOM 0 HG3 LYS A 103 1.570 -4.874 32.719 1.00 1.52 H new ATOM 0 HD2 LYS A 103 0.299 -3.027 33.313 1.00 73.22 H new ATOM 0 HD3 LYS A 103 1.695 -2.792 34.346 1.00 73.22 H new ATOM 0 HE2 LYS A 103 1.801 -1.601 31.593 1.00 51.15 H new ATOM 0 HE3 LYS A 103 0.728 -0.847 32.755 1.00 51.15 H new ATOM 0 HZ1 LYS A 103 2.694 0.259 33.108 1.00 42.24 H new ATOM 0 HZ2 LYS A 103 2.795 -0.949 34.297 1.00 42.24 H new ATOM 0 HZ3 LYS A 103 3.662 -1.111 32.847 1.00 42.24 H new ATOM 1679 N LYS A 104 6.628 -5.077 32.937 1.00 2.34 N ATOM 1680 CA LYS A 104 7.994 -4.908 33.419 1.00 41.52 C ATOM 1681 C LYS A 104 8.973 -4.804 32.253 1.00 13.54 C ATOM 1682 O LYS A 104 9.752 -3.854 32.166 1.00 32.20 O ATOM 1683 CB LYS A 104 8.386 -6.077 34.325 1.00 51.12 C ATOM 1684 CG LYS A 104 9.832 -6.030 34.787 1.00 30.11 C ATOM 1685 CD LYS A 104 10.580 -7.298 34.408 1.00 12.55 C ATOM 1686 CE LYS A 104 10.848 -8.171 35.624 1.00 13.05 C ATOM 1687 NZ LYS A 104 9.612 -8.851 36.102 1.00 70.21 N ATOM 0 H LYS A 104 6.256 -6.021 33.046 1.00 2.34 H new ATOM 0 HA LYS A 104 8.038 -3.982 33.992 1.00 41.52 H new ATOM 0 HB2 LYS A 104 7.734 -6.083 35.199 1.00 51.12 H new ATOM 0 HB3 LYS A 104 8.214 -7.012 33.792 1.00 51.12 H new ATOM 0 HG2 LYS A 104 10.329 -5.167 34.344 1.00 30.11 H new ATOM 0 HG3 LYS A 104 9.865 -5.896 35.868 1.00 30.11 H new ATOM 0 HD2 LYS A 104 9.999 -7.860 33.676 1.00 12.55 H new ATOM 0 HD3 LYS A 104 11.525 -7.036 33.932 1.00 12.55 H new ATOM 0 HE2 LYS A 104 11.601 -8.919 35.375 1.00 13.05 H new ATOM 0 HE3 LYS A 104 11.259 -7.559 36.427 1.00 13.05 H new ATOM 0 HZ1 LYS A 104 9.837 -9.436 36.932 1.00 70.21 H new ATOM 0 HZ2 LYS A 104 8.902 -8.137 36.364 1.00 70.21 H new ATOM 0 HZ3 LYS A 104 9.233 -9.455 35.345 1.00 70.21 H new ATOM 1701 N LYS A 105 8.927 -5.785 31.359 1.00 55.34 N ATOM 1702 CA LYS A 105 9.807 -5.803 30.196 1.00 13.03 C ATOM 1703 C LYS A 105 9.512 -4.626 29.272 1.00 3.54 C ATOM 1704 O LYS A 105 10.422 -4.053 28.671 1.00 51.14 O ATOM 1705 CB LYS A 105 9.647 -7.118 29.430 1.00 31.25 C ATOM 1706 CG LYS A 105 8.216 -7.407 29.009 1.00 4.12 C ATOM 1707 CD LYS A 105 8.031 -8.866 28.628 1.00 41.14 C ATOM 1708 CE LYS A 105 8.958 -9.267 27.490 1.00 2.34 C ATOM 1709 NZ LYS A 105 8.682 -10.649 27.011 1.00 64.31 N ATOM 0 H LYS A 105 8.289 -6.579 31.417 1.00 55.34 H new ATOM 0 HA LYS A 105 10.835 -5.717 30.548 1.00 13.03 H new ATOM 0 HB2 LYS A 105 10.279 -7.091 28.543 1.00 31.25 H new ATOM 0 HB3 LYS A 105 10.006 -7.937 30.053 1.00 31.25 H new ATOM 0 HG2 LYS A 105 7.538 -7.154 29.824 1.00 4.12 H new ATOM 0 HG3 LYS A 105 7.949 -6.773 28.164 1.00 4.12 H new ATOM 0 HD2 LYS A 105 8.224 -9.497 29.496 1.00 41.14 H new ATOM 0 HD3 LYS A 105 6.996 -9.038 28.333 1.00 41.14 H new ATOM 0 HE2 LYS A 105 8.842 -8.566 26.663 1.00 2.34 H new ATOM 0 HE3 LYS A 105 9.993 -9.198 27.824 1.00 2.34 H new ATOM 0 HZ1 LYS A 105 9.238 -10.836 26.152 1.00 64.31 H new ATOM 0 HZ2 LYS A 105 8.946 -11.332 27.750 1.00 64.31 H new ATOM 0 HZ3 LYS A 105 7.669 -10.746 26.796 1.00 64.31 H new ATOM 1723 N LEU A 106 8.237 -4.268 29.165 1.00 5.13 N ATOM 1724 CA LEU A 106 7.823 -3.157 28.316 1.00 43.24 C ATOM 1725 C LEU A 106 8.219 -1.820 28.936 1.00 75.44 C ATOM 1726 O LEU A 106 8.669 -0.911 28.239 1.00 5.13 O ATOM 1727 CB LEU A 106 6.311 -3.199 28.088 1.00 62.10 C ATOM 1728 CG LEU A 106 5.666 -1.894 27.621 1.00 41.14 C ATOM 1729 CD1 LEU A 106 6.307 -1.415 26.328 1.00 43.54 C ATOM 1730 CD2 LEU A 106 4.166 -2.076 27.439 1.00 42.42 C ATOM 0 H LEU A 106 7.472 -4.731 29.656 1.00 5.13 H new ATOM 0 HA LEU A 106 8.331 -3.256 27.357 1.00 43.24 H new ATOM 0 HB2 LEU A 106 6.096 -3.971 27.350 1.00 62.10 H new ATOM 0 HB3 LEU A 106 5.832 -3.505 29.018 1.00 62.10 H new ATOM 0 HG LEU A 106 5.830 -1.136 28.387 1.00 41.14 H new ATOM 0 HD11 LEU A 106 5.835 -0.485 26.011 1.00 43.54 H new ATOM 0 HD12 LEU A 106 7.371 -1.245 26.491 1.00 43.54 H new ATOM 0 HD13 LEU A 106 6.175 -2.171 25.554 1.00 43.54 H new ATOM 0 HD21 LEU A 106 3.723 -1.137 27.106 1.00 42.42 H new ATOM 0 HD22 LEU A 106 3.981 -2.849 26.693 1.00 42.42 H new ATOM 0 HD23 LEU A 106 3.718 -2.373 28.387 1.00 42.42 H new ATOM 1742 N SER A 107 8.048 -1.710 30.249 1.00 1.21 N ATOM 1743 CA SER A 107 8.385 -0.484 30.963 1.00 5.12 C ATOM 1744 C SER A 107 9.815 -0.050 30.652 1.00 32.15 C ATOM 1745 O SER A 107 10.096 1.139 30.504 1.00 54.31 O ATOM 1746 CB SER A 107 8.217 -0.684 32.471 1.00 65.14 C ATOM 1747 OG SER A 107 8.850 0.355 33.197 1.00 43.33 O ATOM 0 H SER A 107 7.678 -2.455 30.840 1.00 1.21 H new ATOM 0 HA SER A 107 7.705 0.300 30.630 1.00 5.12 H new ATOM 0 HB2 SER A 107 7.156 -0.713 32.721 1.00 65.14 H new ATOM 0 HB3 SER A 107 8.640 -1.645 32.763 1.00 65.14 H new ATOM 0 HG SER A 107 8.727 0.205 34.158 1.00 43.33 H new ATOM 1753 N ARG A 108 10.714 -1.024 30.556 1.00 41.22 N ATOM 1754 CA ARG A 108 12.115 -0.744 30.264 1.00 11.21 C ATOM 1755 C ARG A 108 12.328 -0.536 28.768 1.00 55.15 C ATOM 1756 O ARG A 108 13.256 0.157 28.352 1.00 1.40 O ATOM 1757 CB ARG A 108 13.000 -1.888 30.762 1.00 41.22 C ATOM 1758 CG ARG A 108 12.773 -3.198 30.025 1.00 5.03 C ATOM 1759 CD ARG A 108 13.929 -4.163 30.237 1.00 21.43 C ATOM 1760 NE ARG A 108 13.995 -4.644 31.615 1.00 42.12 N ATOM 1761 CZ ARG A 108 14.954 -5.444 32.069 1.00 13.40 C ATOM 1762 NH1 ARG A 108 15.922 -5.850 31.259 1.00 13.13 N ATOM 1763 NH2 ARG A 108 14.945 -5.838 33.336 1.00 63.21 N ATOM 0 H ARG A 108 10.498 -2.014 30.676 1.00 41.22 H new ATOM 0 HA ARG A 108 12.392 0.173 30.783 1.00 11.21 H new ATOM 0 HB2 ARG A 108 14.046 -1.599 30.658 1.00 41.22 H new ATOM 0 HB3 ARG A 108 12.816 -2.042 31.825 1.00 41.22 H new ATOM 0 HG2 ARG A 108 11.847 -3.656 30.372 1.00 5.03 H new ATOM 0 HG3 ARG A 108 12.652 -3.001 28.960 1.00 5.03 H new ATOM 0 HD2 ARG A 108 13.821 -5.012 29.562 1.00 21.43 H new ATOM 0 HD3 ARG A 108 14.866 -3.668 29.980 1.00 21.43 H new ATOM 0 HE ARG A 108 13.265 -4.350 32.264 1.00 42.12 H new ATOM 0 HH11 ARG A 108 15.932 -5.548 30.285 1.00 13.13 H new ATOM 0 HH12 ARG A 108 16.657 -6.464 31.610 1.00 13.13 H new ATOM 0 HH21 ARG A 108 14.202 -5.527 33.962 1.00 63.21 H new ATOM 0 HH22 ARG A 108 15.681 -6.452 33.684 1.00 63.21 H new ATOM 1777 N VAL A 109 11.461 -1.142 27.962 1.00 12.20 N ATOM 1778 CA VAL A 109 11.553 -1.023 26.512 1.00 40.12 C ATOM 1779 C VAL A 109 11.182 0.382 26.051 1.00 42.11 C ATOM 1780 O VAL A 109 11.782 0.921 25.120 1.00 31.53 O ATOM 1781 CB VAL A 109 10.638 -2.041 25.806 1.00 71.21 C ATOM 1782 CG1 VAL A 109 10.492 -1.696 24.332 1.00 62.23 C ATOM 1783 CG2 VAL A 109 11.178 -3.453 25.981 1.00 54.41 C ATOM 0 H VAL A 109 10.687 -1.720 28.289 1.00 12.20 H new ATOM 0 HA VAL A 109 12.589 -1.229 26.243 1.00 40.12 H new ATOM 0 HB VAL A 109 9.650 -1.995 26.264 1.00 71.21 H new ATOM 0 HG11 VAL A 109 9.842 -2.426 23.850 1.00 62.23 H new ATOM 0 HG12 VAL A 109 10.057 -0.702 24.232 1.00 62.23 H new ATOM 0 HG13 VAL A 109 11.472 -1.712 23.856 1.00 62.23 H new ATOM 0 HG21 VAL A 109 10.519 -4.160 25.476 1.00 54.41 H new ATOM 0 HG22 VAL A 109 12.177 -3.516 25.550 1.00 54.41 H new ATOM 0 HG23 VAL A 109 11.225 -3.696 27.043 1.00 54.41 H new ATOM 1793 N VAL A 110 10.189 0.972 26.709 1.00 42.11 N ATOM 1794 CA VAL A 110 9.739 2.316 26.368 1.00 14.21 C ATOM 1795 C VAL A 110 10.830 3.346 26.635 1.00 45.10 C ATOM 1796 O VAL A 110 11.048 4.256 25.836 1.00 13.34 O ATOM 1797 CB VAL A 110 8.477 2.704 27.163 1.00 64.31 C ATOM 1798 CG1 VAL A 110 7.926 4.035 26.675 1.00 63.34 C ATOM 1799 CG2 VAL A 110 7.425 1.611 27.057 1.00 32.52 C ATOM 0 H VAL A 110 9.681 0.540 27.481 1.00 42.11 H new ATOM 0 HA VAL A 110 9.502 2.309 25.304 1.00 14.21 H new ATOM 0 HB VAL A 110 8.749 2.814 28.213 1.00 64.31 H new ATOM 0 HG11 VAL A 110 7.035 4.292 27.248 1.00 63.34 H new ATOM 0 HG12 VAL A 110 8.680 4.811 26.808 1.00 63.34 H new ATOM 0 HG13 VAL A 110 7.668 3.957 25.619 1.00 63.34 H new ATOM 0 HG21 VAL A 110 6.540 1.901 27.624 1.00 32.52 H new ATOM 0 HG22 VAL A 110 7.154 1.467 26.011 1.00 32.52 H new ATOM 0 HG23 VAL A 110 7.825 0.681 27.460 1.00 32.52 H new ATOM 1809 N ASN A 111 11.516 3.195 27.764 1.00 55.11 N ATOM 1810 CA ASN A 111 12.586 4.113 28.137 1.00 61.42 C ATOM 1811 C ASN A 111 13.659 4.166 27.053 1.00 15.50 C ATOM 1812 O ASN A 111 14.282 5.206 26.834 1.00 73.44 O ATOM 1813 CB ASN A 111 13.210 3.687 29.467 1.00 25.02 C ATOM 1814 CG ASN A 111 12.500 4.296 30.661 1.00 72.25 C ATOM 1815 OD1 ASN A 111 13.135 4.835 31.567 1.00 61.03 O ATOM 1816 ND2 ASN A 111 11.175 4.212 30.666 1.00 75.22 N ATOM 0 H ASN A 111 11.350 2.446 28.436 1.00 55.11 H new ATOM 0 HA ASN A 111 12.156 5.108 28.247 1.00 61.42 H new ATOM 0 HB2 ASN A 111 13.182 2.600 29.547 1.00 25.02 H new ATOM 0 HB3 ASN A 111 14.260 3.981 29.483 1.00 25.02 H new ATOM 0 HD21 ASN A 111 10.642 4.604 31.443 1.00 75.22 H new ATOM 0 HD22 ASN A 111 10.690 3.756 29.893 1.00 75.22 H new ATOM 1823 N ILE A 112 13.867 3.041 26.379 1.00 63.14 N ATOM 1824 CA ILE A 112 14.863 2.961 25.317 1.00 73.42 C ATOM 1825 C ILE A 112 14.675 4.082 24.301 1.00 55.11 C ATOM 1826 O ILE A 112 15.646 4.646 23.795 1.00 71.21 O ATOM 1827 CB ILE A 112 14.799 1.606 24.587 1.00 60.12 C ATOM 1828 CG1 ILE A 112 15.072 0.461 25.565 1.00 14.40 C ATOM 1829 CG2 ILE A 112 15.795 1.576 23.438 1.00 44.35 C ATOM 1830 CD1 ILE A 112 14.829 -0.910 24.974 1.00 52.52 C ATOM 0 H ILE A 112 13.360 2.172 26.549 1.00 63.14 H new ATOM 0 HA ILE A 112 15.839 3.064 25.791 1.00 73.42 H new ATOM 0 HB ILE A 112 13.797 1.478 24.178 1.00 60.12 H new ATOM 0 HG12 ILE A 112 16.106 0.523 25.905 1.00 14.40 H new ATOM 0 HG13 ILE A 112 14.439 0.586 26.444 1.00 14.40 H new ATOM 0 HG21 ILE A 112 15.738 0.612 22.932 1.00 44.35 H new ATOM 0 HG22 ILE A 112 15.559 2.372 22.731 1.00 44.35 H new ATOM 0 HG23 ILE A 112 16.803 1.723 23.826 1.00 44.35 H new ATOM 0 HD11 ILE A 112 15.043 -1.672 25.723 1.00 52.52 H new ATOM 0 HD12 ILE A 112 13.788 -0.992 24.660 1.00 52.52 H new ATOM 0 HD13 ILE A 112 15.481 -1.056 24.112 1.00 52.52 H new ATOM 1842 N LEU A 113 13.419 4.403 24.008 1.00 62.32 N ATOM 1843 CA LEU A 113 13.102 5.459 23.053 1.00 4.41 C ATOM 1844 C LEU A 113 13.834 6.750 23.407 1.00 13.31 C ATOM 1845 O LEU A 113 14.297 7.476 22.527 1.00 71.12 O ATOM 1846 CB LEU A 113 11.593 5.708 23.019 1.00 23.53 C ATOM 1847 CG LEU A 113 10.769 4.722 22.189 1.00 5.35 C ATOM 1848 CD1 LEU A 113 11.211 4.750 20.735 1.00 64.34 C ATOM 1849 CD2 LEU A 113 10.888 3.316 22.758 1.00 24.15 C ATOM 0 H LEU A 113 12.604 3.947 24.418 1.00 62.32 H new ATOM 0 HA LEU A 113 13.432 5.134 22.066 1.00 4.41 H new ATOM 0 HB2 LEU A 113 11.219 5.692 24.043 1.00 23.53 H new ATOM 0 HB3 LEU A 113 11.419 6.712 22.632 1.00 23.53 H new ATOM 0 HG LEU A 113 9.722 5.023 22.235 1.00 5.35 H new ATOM 0 HD11 LEU A 113 10.614 4.042 20.160 1.00 64.34 H new ATOM 0 HD12 LEU A 113 11.073 5.753 20.332 1.00 64.34 H new ATOM 0 HD13 LEU A 113 12.264 4.474 20.669 1.00 64.34 H new ATOM 0 HD21 LEU A 113 10.295 2.628 22.155 1.00 24.15 H new ATOM 0 HD22 LEU A 113 11.932 3.005 22.743 1.00 24.15 H new ATOM 0 HD23 LEU A 113 10.522 3.307 23.785 1.00 24.15 H new ATOM 1861 N LYS A 114 13.936 7.030 24.702 1.00 40.21 N ATOM 1862 CA LYS A 114 14.614 8.231 25.174 1.00 2.52 C ATOM 1863 C LYS A 114 16.126 8.096 25.026 1.00 3.52 C ATOM 1864 O LYS A 114 16.825 9.079 24.781 1.00 13.53 O ATOM 1865 CB LYS A 114 14.256 8.502 26.637 1.00 4.04 C ATOM 1866 CG LYS A 114 12.766 8.429 26.923 1.00 64.22 C ATOM 1867 CD LYS A 114 12.362 9.391 28.027 1.00 42.30 C ATOM 1868 CE LYS A 114 12.319 10.827 27.527 1.00 43.02 C ATOM 1869 NZ LYS A 114 11.564 11.715 28.454 1.00 61.04 N ATOM 0 H LYS A 114 13.557 6.441 25.444 1.00 40.21 H new ATOM 0 HA LYS A 114 14.280 9.070 24.563 1.00 2.52 H new ATOM 0 HB2 LYS A 114 14.774 7.781 27.269 1.00 4.04 H new ATOM 0 HB3 LYS A 114 14.623 9.490 26.915 1.00 4.04 H new ATOM 0 HG2 LYS A 114 12.209 8.661 26.015 1.00 64.22 H new ATOM 0 HG3 LYS A 114 12.499 7.412 27.210 1.00 64.22 H new ATOM 0 HD2 LYS A 114 11.383 9.110 28.415 1.00 42.30 H new ATOM 0 HD3 LYS A 114 13.067 9.314 28.855 1.00 42.30 H new ATOM 0 HE2 LYS A 114 13.336 11.202 27.412 1.00 43.02 H new ATOM 0 HE3 LYS A 114 11.856 10.854 26.541 1.00 43.02 H new ATOM 0 HZ1 LYS A 114 11.264 12.572 27.947 1.00 61.04 H new ATOM 0 HZ2 LYS A 114 10.726 11.213 28.810 1.00 61.04 H new ATOM 0 HZ3 LYS A 114 12.174 11.981 29.253 1.00 61.04 H new ATOM 1883 N GLU A 115 16.624 6.873 25.175 1.00 21.12 N ATOM 1884 CA GLU A 115 18.054 6.611 25.057 1.00 33.00 C ATOM 1885 C GLU A 115 18.514 6.748 23.609 1.00 60.34 C ATOM 1886 O GLU A 115 19.479 7.454 23.317 1.00 43.00 O ATOM 1887 CB GLU A 115 18.383 5.211 25.578 1.00 20.43 C ATOM 1888 CG GLU A 115 18.003 4.998 27.034 1.00 74.21 C ATOM 1889 CD GLU A 115 18.968 5.666 27.993 1.00 43.40 C ATOM 1890 OE1 GLU A 115 20.183 5.671 27.706 1.00 64.54 O ATOM 1891 OE2 GLU A 115 18.508 6.186 29.031 1.00 31.13 O ATOM 0 H GLU A 115 16.059 6.048 25.378 1.00 21.12 H new ATOM 0 HA GLU A 115 18.584 7.349 25.660 1.00 33.00 H new ATOM 0 HB2 GLU A 115 17.865 4.473 24.965 1.00 20.43 H new ATOM 0 HB3 GLU A 115 19.451 5.030 25.460 1.00 20.43 H new ATOM 0 HG2 GLU A 115 16.999 5.388 27.204 1.00 74.21 H new ATOM 0 HG3 GLU A 115 17.970 3.929 27.244 1.00 74.21 H new ATOM 1898 N ARG A 116 17.817 6.066 22.705 1.00 14.45 N ATOM 1899 CA ARG A 116 18.154 6.110 21.288 1.00 61.22 C ATOM 1900 C ARG A 116 17.605 7.376 20.637 1.00 73.33 C ATOM 1901 O ARG A 116 17.995 7.734 19.526 1.00 32.23 O ATOM 1902 CB ARG A 116 17.603 4.875 20.572 1.00 12.14 C ATOM 1903 CG ARG A 116 17.884 3.572 21.302 1.00 24.13 C ATOM 1904 CD ARG A 116 19.372 3.387 21.559 1.00 51.30 C ATOM 1905 NE ARG A 116 19.714 1.990 21.813 1.00 43.54 N ATOM 1906 CZ ARG A 116 19.840 1.079 20.854 1.00 30.05 C ATOM 1907 NH1 ARG A 116 19.653 1.416 19.586 1.00 72.22 N ATOM 1908 NH2 ARG A 116 20.154 -0.172 21.165 1.00 61.44 N ATOM 0 H ARG A 116 17.015 5.477 22.930 1.00 14.45 H new ATOM 0 HA ARG A 116 19.240 6.119 21.199 1.00 61.22 H new ATOM 0 HB2 ARG A 116 16.526 4.987 20.448 1.00 12.14 H new ATOM 0 HB3 ARG A 116 18.035 4.822 19.573 1.00 12.14 H new ATOM 0 HG2 ARG A 116 17.346 3.561 22.250 1.00 24.13 H new ATOM 0 HG3 ARG A 116 17.509 2.735 20.713 1.00 24.13 H new ATOM 0 HD2 ARG A 116 19.936 3.748 20.699 1.00 51.30 H new ATOM 0 HD3 ARG A 116 19.671 3.994 22.413 1.00 51.30 H new ATOM 0 HE ARG A 116 19.864 1.698 22.779 1.00 43.54 H new ATOM 0 HH11 ARG A 116 19.412 2.377 19.344 1.00 72.22 H new ATOM 0 HH12 ARG A 116 19.750 0.714 18.852 1.00 72.22 H new ATOM 0 HH21 ARG A 116 20.299 -0.434 22.140 1.00 61.44 H new ATOM 0 HH22 ARG A 116 20.251 -0.872 20.429 1.00 61.44 H new ATOM 1922 N ASN A 117 16.696 8.048 21.336 1.00 4.41 N ATOM 1923 CA ASN A 117 16.092 9.274 20.826 1.00 64.34 C ATOM 1924 C ASN A 117 15.410 9.026 19.484 1.00 62.13 C ATOM 1925 O ASN A 117 15.518 9.836 18.562 1.00 33.14 O ATOM 1926 CB ASN A 117 17.153 10.366 20.677 1.00 1.41 C ATOM 1927 CG ASN A 117 17.673 10.853 22.016 1.00 51.31 C ATOM 1928 OD1 ASN A 117 16.974 11.553 22.749 1.00 54.14 O ATOM 1929 ND2 ASN A 117 18.906 10.484 22.341 1.00 4.32 N ATOM 0 H ASN A 117 16.361 7.764 22.257 1.00 4.41 H new ATOM 0 HA ASN A 117 15.339 9.604 21.541 1.00 64.34 H new ATOM 0 HB2 ASN A 117 17.984 9.983 20.085 1.00 1.41 H new ATOM 0 HB3 ASN A 117 16.731 11.207 20.127 1.00 1.41 H new ATOM 0 HD21 ASN A 117 19.310 10.781 23.229 1.00 4.32 H new ATOM 0 HD22 ASN A 117 19.449 9.903 21.703 1.00 4.32 H new ATOM 1936 N ILE A 118 14.708 7.902 19.382 1.00 44.24 N ATOM 1937 CA ILE A 118 14.007 7.549 18.153 1.00 25.14 C ATOM 1938 C ILE A 118 12.983 8.615 17.779 1.00 64.12 C ATOM 1939 O ILE A 118 13.168 9.356 16.813 1.00 74.32 O ATOM 1940 CB ILE A 118 13.294 6.190 18.284 1.00 55.54 C ATOM 1941 CG1 ILE A 118 14.282 5.111 18.731 1.00 15.21 C ATOM 1942 CG2 ILE A 118 12.642 5.806 16.964 1.00 64.34 C ATOM 1943 CD1 ILE A 118 15.354 4.812 17.707 1.00 31.21 C ATOM 0 H ILE A 118 14.610 7.221 20.135 1.00 44.24 H new ATOM 0 HA ILE A 118 14.760 7.481 17.367 1.00 25.14 H new ATOM 0 HB ILE A 118 12.514 6.276 19.041 1.00 55.54 H new ATOM 0 HG12 ILE A 118 14.756 5.427 19.660 1.00 15.21 H new ATOM 0 HG13 ILE A 118 13.733 4.195 18.949 1.00 15.21 H new ATOM 0 HG21 ILE A 118 12.142 4.843 17.072 1.00 64.34 H new ATOM 0 HG22 ILE A 118 11.911 6.565 16.685 1.00 64.34 H new ATOM 0 HG23 ILE A 118 13.405 5.734 16.189 1.00 64.34 H new ATOM 0 HD11 ILE A 118 16.018 4.038 18.091 1.00 31.21 H new ATOM 0 HD12 ILE A 118 14.889 4.466 16.784 1.00 31.21 H new ATOM 0 HD13 ILE A 118 15.928 5.717 17.507 1.00 31.21 H new ATOM 1955 N PHE A 119 11.904 8.688 18.551 1.00 42.03 N ATOM 1956 CA PHE A 119 10.850 9.664 18.301 1.00 43.42 C ATOM 1957 C PHE A 119 11.145 10.979 19.018 1.00 63.32 C ATOM 1958 O PHE A 119 11.997 11.037 19.905 1.00 73.31 O ATOM 1959 CB PHE A 119 9.497 9.114 18.757 1.00 4.10 C ATOM 1960 CG PHE A 119 9.232 7.711 18.290 1.00 44.42 C ATOM 1961 CD1 PHE A 119 9.196 7.413 16.937 1.00 11.12 C ATOM 1962 CD2 PHE A 119 9.021 6.691 19.203 1.00 55.30 C ATOM 1963 CE1 PHE A 119 8.951 6.123 16.505 1.00 44.43 C ATOM 1964 CE2 PHE A 119 8.776 5.399 18.776 1.00 0.44 C ATOM 1965 CZ PHE A 119 8.743 5.115 17.425 1.00 15.13 C ATOM 0 H PHE A 119 11.737 8.083 19.355 1.00 42.03 H new ATOM 0 HA PHE A 119 10.814 9.855 17.229 1.00 43.42 H new ATOM 0 HB2 PHE A 119 9.451 9.141 19.846 1.00 4.10 H new ATOM 0 HB3 PHE A 119 8.706 9.767 18.388 1.00 4.10 H new ATOM 0 HD1 PHE A 119 9.361 8.197 16.213 1.00 11.12 H new ATOM 0 HD2 PHE A 119 9.048 6.907 20.261 1.00 55.30 H new ATOM 0 HE1 PHE A 119 8.922 5.904 15.448 1.00 44.43 H new ATOM 0 HE2 PHE A 119 8.611 4.613 19.498 1.00 0.44 H new ATOM 0 HZ PHE A 119 8.555 4.106 17.089 1.00 15.13 H new ATOM 1975 N SER A 120 10.436 12.032 18.626 1.00 74.12 N ATOM 1976 CA SER A 120 10.624 13.347 19.227 1.00 14.01 C ATOM 1977 C SER A 120 10.012 13.398 20.624 1.00 43.10 C ATOM 1978 O SER A 120 9.455 12.413 21.107 1.00 34.42 O ATOM 1979 CB SER A 120 9.998 14.429 18.344 1.00 20.25 C ATOM 1980 OG SER A 120 10.926 14.903 17.384 1.00 11.22 O ATOM 0 H SER A 120 9.726 12.000 17.895 1.00 74.12 H new ATOM 0 HA SER A 120 11.695 13.531 19.311 1.00 14.01 H new ATOM 0 HB2 SER A 120 9.120 14.027 17.838 1.00 20.25 H new ATOM 0 HB3 SER A 120 9.657 15.257 18.965 1.00 20.25 H new ATOM 0 HG SER A 120 10.502 15.592 16.831 1.00 11.22 H new ATOM 1986 N LYS A 121 10.121 14.555 21.269 1.00 65.23 N ATOM 1987 CA LYS A 121 9.579 14.738 22.610 1.00 65.12 C ATOM 1988 C LYS A 121 8.059 14.621 22.603 1.00 54.03 C ATOM 1989 O LYS A 121 7.470 14.015 23.497 1.00 22.44 O ATOM 1990 CB LYS A 121 9.994 16.101 23.168 1.00 2.11 C ATOM 1991 CG LYS A 121 11.115 16.024 24.191 1.00 54.22 C ATOM 1992 CD LYS A 121 10.592 15.627 25.561 1.00 2.13 C ATOM 1993 CE LYS A 121 11.727 15.263 26.506 1.00 21.12 C ATOM 1994 NZ LYS A 121 12.385 16.472 27.075 1.00 60.22 N ATOM 0 H LYS A 121 10.580 15.380 20.884 1.00 65.23 H new ATOM 0 HA LYS A 121 9.983 13.952 23.249 1.00 65.12 H new ATOM 0 HB2 LYS A 121 10.309 16.741 22.344 1.00 2.11 H new ATOM 0 HB3 LYS A 121 9.127 16.576 23.627 1.00 2.11 H new ATOM 0 HG2 LYS A 121 11.861 15.301 23.861 1.00 54.22 H new ATOM 0 HG3 LYS A 121 11.616 16.990 24.257 1.00 54.22 H new ATOM 0 HD2 LYS A 121 10.015 16.449 25.984 1.00 2.13 H new ATOM 0 HD3 LYS A 121 9.914 14.779 25.461 1.00 2.13 H new ATOM 0 HE2 LYS A 121 11.341 14.645 27.316 1.00 21.12 H new ATOM 0 HE3 LYS A 121 12.466 14.665 25.973 1.00 21.12 H new ATOM 0 HZ1 LYS A 121 13.153 16.181 27.714 1.00 60.22 H new ATOM 0 HZ2 LYS A 121 12.776 17.050 26.304 1.00 60.22 H new ATOM 0 HZ3 LYS A 121 11.686 17.030 27.606 1.00 60.22 H new ATOM 2008 N GLN A 122 7.430 15.204 21.587 1.00 14.14 N ATOM 2009 CA GLN A 122 5.977 15.164 21.465 1.00 62.23 C ATOM 2010 C GLN A 122 5.474 13.725 21.427 1.00 32.33 C ATOM 2011 O GLN A 122 4.439 13.403 22.011 1.00 74.33 O ATOM 2012 CB GLN A 122 5.530 15.906 20.204 1.00 11.12 C ATOM 2013 CG GLN A 122 5.359 17.403 20.408 1.00 64.12 C ATOM 2014 CD GLN A 122 6.678 18.150 20.380 1.00 23.32 C ATOM 2015 OE1 GLN A 122 7.429 18.071 19.408 1.00 63.14 O ATOM 2016 NE2 GLN A 122 6.968 18.881 21.450 1.00 34.45 N ATOM 0 H GLN A 122 7.903 15.709 20.837 1.00 14.14 H new ATOM 0 HA GLN A 122 5.550 15.656 22.339 1.00 62.23 H new ATOM 0 HB2 GLN A 122 6.262 15.737 19.414 1.00 11.12 H new ATOM 0 HB3 GLN A 122 4.586 15.484 19.860 1.00 11.12 H new ATOM 0 HG2 GLN A 122 4.705 17.799 19.631 1.00 64.12 H new ATOM 0 HG3 GLN A 122 4.865 17.582 21.363 1.00 64.12 H new ATOM 0 HE21 GLN A 122 6.317 18.918 22.234 1.00 34.45 H new ATOM 0 HE22 GLN A 122 7.842 19.405 21.488 1.00 34.45 H new ATOM 2025 N VAL A 123 6.213 12.862 20.737 1.00 52.24 N ATOM 2026 CA VAL A 123 5.842 11.457 20.623 1.00 32.35 C ATOM 2027 C VAL A 123 6.154 10.701 21.910 1.00 31.30 C ATOM 2028 O VAL A 123 5.294 10.015 22.464 1.00 3.54 O ATOM 2029 CB VAL A 123 6.573 10.776 19.451 1.00 55.02 C ATOM 2030 CG1 VAL A 123 6.071 9.352 19.263 1.00 1.32 C ATOM 2031 CG2 VAL A 123 6.398 11.584 18.174 1.00 42.11 C ATOM 0 H VAL A 123 7.073 13.112 20.248 1.00 52.24 H new ATOM 0 HA VAL A 123 4.768 11.427 20.438 1.00 32.35 H new ATOM 0 HB VAL A 123 7.637 10.733 19.685 1.00 55.02 H new ATOM 0 HG11 VAL A 123 6.599 8.887 18.431 1.00 1.32 H new ATOM 0 HG12 VAL A 123 6.252 8.779 20.173 1.00 1.32 H new ATOM 0 HG13 VAL A 123 5.002 9.368 19.051 1.00 1.32 H new ATOM 0 HG21 VAL A 123 6.921 11.089 17.356 1.00 42.11 H new ATOM 0 HG22 VAL A 123 5.337 11.660 17.934 1.00 42.11 H new ATOM 0 HG23 VAL A 123 6.810 12.583 18.316 1.00 42.11 H new ATOM 2041 N VAL A 124 7.390 10.830 22.381 1.00 1.11 N ATOM 2042 CA VAL A 124 7.816 10.160 23.604 1.00 3.51 C ATOM 2043 C VAL A 124 6.905 10.518 24.773 1.00 75.45 C ATOM 2044 O VAL A 124 6.402 9.639 25.472 1.00 52.14 O ATOM 2045 CB VAL A 124 9.267 10.527 23.968 1.00 1.45 C ATOM 2046 CG1 VAL A 124 9.682 9.844 25.263 1.00 51.04 C ATOM 2047 CG2 VAL A 124 10.211 10.157 22.834 1.00 12.22 C ATOM 0 H VAL A 124 8.114 11.392 21.934 1.00 1.11 H new ATOM 0 HA VAL A 124 7.756 9.088 23.415 1.00 3.51 H new ATOM 0 HB VAL A 124 9.323 11.605 24.120 1.00 1.45 H new ATOM 0 HG11 VAL A 124 10.710 10.115 25.504 1.00 51.04 H new ATOM 0 HG12 VAL A 124 9.023 10.164 26.070 1.00 51.04 H new ATOM 0 HG13 VAL A 124 9.610 8.763 25.143 1.00 51.04 H new ATOM 0 HG21 VAL A 124 11.232 10.423 23.109 1.00 12.22 H new ATOM 0 HG22 VAL A 124 10.153 9.085 22.648 1.00 12.22 H new ATOM 0 HG23 VAL A 124 9.925 10.698 21.932 1.00 12.22 H new ATOM 2057 N ASN A 125 6.695 11.814 24.978 1.00 43.01 N ATOM 2058 CA ASN A 125 5.843 12.288 26.062 1.00 4.35 C ATOM 2059 C ASN A 125 4.451 11.672 25.970 1.00 71.13 C ATOM 2060 O ASN A 125 3.770 11.497 26.980 1.00 33.11 O ATOM 2061 CB ASN A 125 5.741 13.814 26.028 1.00 1.54 C ATOM 2062 CG ASN A 125 6.895 14.487 26.746 1.00 10.54 C ATOM 2063 OD1 ASN A 125 7.499 15.477 26.098 1.00 53.33 O flip ATOM 2064 ND2 ASN A 125 7.239 14.122 27.871 1.00 71.50 N flip ATOM 0 H ASN A 125 7.103 12.555 24.408 1.00 43.01 H new ATOM 0 HA ASN A 125 6.294 11.981 27.006 1.00 4.35 H new ATOM 0 HB2 ASN A 125 5.716 14.151 24.992 1.00 1.54 H new ATOM 0 HB3 ASN A 125 4.802 14.123 26.487 1.00 1.54 H new ATOM 0 HD21 ASN A 125 6.746 13.357 28.332 1.00 71.50 H new ATOM 0 HD22 ASN A 125 8.016 14.585 28.342 1.00 71.50 H new ATOM 2071 N ASP A 126 4.035 11.345 24.751 1.00 30.52 N ATOM 2072 CA ASP A 126 2.724 10.746 24.526 1.00 65.12 C ATOM 2073 C ASP A 126 2.715 9.281 24.952 1.00 5.22 C ATOM 2074 O ASP A 126 1.698 8.766 25.417 1.00 2.43 O ATOM 2075 CB ASP A 126 2.333 10.863 23.052 1.00 42.31 C ATOM 2076 CG ASP A 126 0.882 10.499 22.807 1.00 21.13 C ATOM 2077 OD1 ASP A 126 0.188 10.142 23.782 1.00 61.01 O ATOM 2078 OD2 ASP A 126 0.441 10.570 21.641 1.00 34.10 O ATOM 0 H ASP A 126 4.586 11.484 23.904 1.00 30.52 H new ATOM 0 HA ASP A 126 1.996 11.286 25.132 1.00 65.12 H new ATOM 0 HB2 ASP A 126 2.511 11.883 22.712 1.00 42.31 H new ATOM 0 HB3 ASP A 126 2.973 10.212 22.457 1.00 42.31 H new ATOM 2083 N ILE A 127 3.854 8.616 24.789 1.00 21.04 N ATOM 2084 CA ILE A 127 3.977 7.211 25.158 1.00 73.05 C ATOM 2085 C ILE A 127 3.915 7.032 26.671 1.00 64.34 C ATOM 2086 O ILE A 127 3.400 6.030 27.166 1.00 54.50 O ATOM 2087 CB ILE A 127 5.291 6.604 24.633 1.00 44.12 C ATOM 2088 CG1 ILE A 127 5.373 6.746 23.112 1.00 53.45 C ATOM 2089 CG2 ILE A 127 5.400 5.142 25.040 1.00 13.31 C ATOM 2090 CD1 ILE A 127 6.788 6.729 22.578 1.00 40.21 C ATOM 0 H ILE A 127 4.704 9.027 24.404 1.00 21.04 H new ATOM 0 HA ILE A 127 3.137 6.690 24.699 1.00 73.05 H new ATOM 0 HB ILE A 127 6.126 7.147 25.075 1.00 44.12 H new ATOM 0 HG12 ILE A 127 4.809 5.936 22.649 1.00 53.45 H new ATOM 0 HG13 ILE A 127 4.893 7.679 22.816 1.00 53.45 H new ATOM 0 HG21 ILE A 127 6.334 4.728 24.661 1.00 13.31 H new ATOM 0 HG22 ILE A 127 5.383 5.065 26.127 1.00 13.31 H new ATOM 0 HG23 ILE A 127 4.561 4.585 24.624 1.00 13.31 H new ATOM 0 HD11 ILE A 127 6.769 6.834 21.493 1.00 40.21 H new ATOM 0 HD12 ILE A 127 7.351 7.555 23.013 1.00 40.21 H new ATOM 0 HD13 ILE A 127 7.266 5.786 22.843 1.00 40.21 H new ATOM 2102 N GLU A 128 4.444 8.010 27.399 1.00 40.21 N ATOM 2103 CA GLU A 128 4.448 7.960 28.856 1.00 1.22 C ATOM 2104 C GLU A 128 3.055 8.237 29.414 1.00 30.10 C ATOM 2105 O GLU A 128 2.515 7.444 30.186 1.00 70.14 O ATOM 2106 CB GLU A 128 5.446 8.974 29.421 1.00 70.44 C ATOM 2107 CG GLU A 128 6.893 8.653 29.088 1.00 24.53 C ATOM 2108 CD GLU A 128 7.497 7.633 30.035 1.00 50.12 C ATOM 2109 OE1 GLU A 128 7.956 8.033 31.125 1.00 41.43 O ATOM 2110 OE2 GLU A 128 7.510 6.434 29.685 1.00 53.22 O ATOM 0 H GLU A 128 4.875 8.846 27.004 1.00 40.21 H new ATOM 0 HA GLU A 128 4.749 6.957 29.158 1.00 1.22 H new ATOM 0 HB2 GLU A 128 5.204 9.964 29.034 1.00 70.44 H new ATOM 0 HB3 GLU A 128 5.332 9.018 30.504 1.00 70.44 H new ATOM 0 HG2 GLU A 128 6.952 8.275 28.067 1.00 24.53 H new ATOM 0 HG3 GLU A 128 7.482 9.569 29.123 1.00 24.53 H new ATOM 2117 N ARG A 129 2.479 9.367 29.018 1.00 4.53 N ATOM 2118 CA ARG A 129 1.150 9.750 29.479 1.00 4.44 C ATOM 2119 C ARG A 129 0.135 8.649 29.188 1.00 44.03 C ATOM 2120 O ARG A 129 -0.778 8.408 29.976 1.00 15.55 O ATOM 2121 CB ARG A 129 0.711 11.054 28.810 1.00 30.02 C ATOM 2122 CG ARG A 129 0.489 10.925 27.312 1.00 23.20 C ATOM 2123 CD ARG A 129 0.173 12.270 26.678 1.00 50.23 C ATOM 2124 NE ARG A 129 1.271 13.221 26.834 1.00 35.23 N ATOM 2125 CZ ARG A 129 1.168 14.515 26.551 1.00 22.44 C ATOM 2126 NH1 ARG A 129 0.024 15.009 26.100 1.00 12.53 N ATOM 2127 NH2 ARG A 129 2.212 15.317 26.720 1.00 32.52 N ATOM 0 H ARG A 129 2.912 10.034 28.379 1.00 4.53 H new ATOM 0 HA ARG A 129 1.197 9.901 30.558 1.00 4.44 H new ATOM 0 HB2 ARG A 129 -0.211 11.400 29.277 1.00 30.02 H new ATOM 0 HB3 ARG A 129 1.466 11.818 28.992 1.00 30.02 H new ATOM 0 HG2 ARG A 129 1.379 10.502 26.846 1.00 23.20 H new ATOM 0 HG3 ARG A 129 -0.330 10.231 27.123 1.00 23.20 H new ATOM 0 HD2 ARG A 129 -0.037 12.130 25.618 1.00 50.23 H new ATOM 0 HD3 ARG A 129 -0.729 12.681 27.131 1.00 50.23 H new ATOM 0 HE ARG A 129 2.165 12.873 27.179 1.00 35.23 H new ATOM 0 HH11 ARG A 129 -0.780 14.395 25.969 1.00 12.53 H new ATOM 0 HH12 ARG A 129 -0.052 16.003 25.884 1.00 12.53 H new ATOM 0 HH21 ARG A 129 3.094 14.940 27.067 1.00 32.52 H new ATOM 0 HH22 ARG A 129 2.132 16.310 26.503 1.00 32.52 H new ATOM 2141 N SER A 130 0.303 7.984 28.049 1.00 34.32 N ATOM 2142 CA SER A 130 -0.601 6.911 27.651 1.00 72.11 C ATOM 2143 C SER A 130 -0.749 5.883 28.768 1.00 34.42 C ATOM 2144 O SER A 130 -1.841 5.366 29.011 1.00 23.35 O ATOM 2145 CB SER A 130 -0.090 6.230 26.380 1.00 25.11 C ATOM 2146 OG SER A 130 0.962 5.326 26.674 1.00 53.13 O ATOM 0 H SER A 130 1.056 8.169 27.386 1.00 34.32 H new ATOM 0 HA SER A 130 -1.579 7.349 27.452 1.00 72.11 H new ATOM 0 HB2 SER A 130 -0.908 5.696 25.896 1.00 25.11 H new ATOM 0 HB3 SER A 130 0.260 6.984 25.675 1.00 25.11 H new ATOM 0 HG SER A 130 1.784 5.828 26.854 1.00 53.13 H new ATOM 2152 N LEU A 131 0.356 5.590 29.445 1.00 52.42 N ATOM 2153 CA LEU A 131 0.351 4.624 30.537 1.00 32.43 C ATOM 2154 C LEU A 131 -0.128 5.269 31.834 1.00 43.43 C ATOM 2155 O LEU A 131 -0.968 4.715 32.541 1.00 12.23 O ATOM 2156 CB LEU A 131 1.750 4.038 30.732 1.00 24.34 C ATOM 2157 CG LEU A 131 2.576 3.834 29.461 1.00 33.24 C ATOM 2158 CD1 LEU A 131 3.953 3.285 29.802 1.00 74.35 C ATOM 2159 CD2 LEU A 131 1.852 2.904 28.499 1.00 54.03 C ATOM 0 H LEU A 131 1.267 6.008 29.256 1.00 52.42 H new ATOM 0 HA LEU A 131 -0.339 3.822 30.276 1.00 32.43 H new ATOM 0 HB2 LEU A 131 2.307 4.694 31.402 1.00 24.34 H new ATOM 0 HB3 LEU A 131 1.652 3.076 31.236 1.00 24.34 H new ATOM 0 HG LEU A 131 2.704 4.801 28.974 1.00 33.24 H new ATOM 0 HD11 LEU A 131 4.527 3.146 28.886 1.00 74.35 H new ATOM 0 HD12 LEU A 131 4.474 3.987 30.453 1.00 74.35 H new ATOM 0 HD13 LEU A 131 3.847 2.328 30.312 1.00 74.35 H new ATOM 0 HD21 LEU A 131 2.454 2.770 27.600 1.00 54.03 H new ATOM 0 HD22 LEU A 131 1.694 1.937 28.977 1.00 54.03 H new ATOM 0 HD23 LEU A 131 0.889 3.337 28.229 1.00 54.03 H new