USER MOD reduce.3.24.130724 H: found=0, std=0, add=1096, rem=0, adj=30 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 81 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 135 HIS : no HE2:sc= 0.907 K(o=0.91,f=-2.8!) USER MOD Set 2.1: A 83 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 133 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 91 ASN :FLIP amide:sc= 1.08 F(o=-0.1,f=1.9) USER MOD Set 3.2: A 123 HIS : no HE2:sc= 0.839 K(o=1.9,f=-0.65) USER MOD Set 4.1: A 96 HIS : no HD1:sc= 0.983 K(o=1.6,f=-2!) USER MOD Set 4.2: A 98 TYR OH : rot -50:sc= 0.624 USER MOD Set 5.1: A 1 HIS N :NH3+ -172:sc= 0.005 (180deg=0) USER MOD Set 5.2: A 90 HIS : no HD1:sc= -0.0216 X(o=-0.017,f=-0.21) USER MOD Set 6.1: A 75 MET CE :methyl -178:sc=-0.00285 (180deg=0) USER MOD Set 6.2: A 76 THR OG1 : rot 180:sc= 0.0596 USER MOD Set 6.3: A 80 HIS : no HD1:sc= 0.204 K(o=0.26,f=-2.4!) USER MOD Set 7.1: A 64 GLN : amide:sc= 0.824 K(o=1.5,f=-1.1) USER MOD Set 7.2: A 145 TYR OH : rot 50:sc= 0.707 USER MOD Set 8.1: A 9 SER OG : rot 130:sc= -0.0198 USER MOD Set 8.2: A 73 HIS : no HD1:sc= -0.026 X(o=-0.046,f=0.45) USER MOD Set 9.1: A 1 HIS : no HD1:sc= 0.148 K(o=0.016,f=-4.8!) USER MOD Set 9.2: A 163 GLN : amide:sc= -0.132 K(o=0.016,f=-1.3) USER MOD Single : A 6 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000531) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0.639 K(o=0.64,f=-6.2!) USER MOD Single : A 34 SER OG : rot 163:sc= 0.553 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= -0.0415 USER MOD Single : A 68 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot -34:sc= 0.442 USER MOD Single : A 92 THR OG1 : rot 75:sc= 0.176 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.756 X(o=-0.76,f=-1.1) USER MOD Single : A 97 TYR OH : rot -130:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.0636 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ -176:sc= 0.794 (180deg=0.783) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 SER OG : rot 29:sc= 1.19 USER MOD Single : A 129 SER OG : rot 180:sc= 0.108 USER MOD Single : A 131 ASN : amide:sc= -0.0106 K(o=-0.011,f=-1.3) USER MOD Single : A 134 HIS : no HD1:sc= -0.0371 K(o=-0.037,f=-2!) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD Single : A 146 HIS :FLIP no HE2:sc= -0.0583 F(o=-1.4,f=-0.058) USER MOD Single : A 157 THR OG1 : rot 180:sc= 0.428 USER MOD Single : A 159 ASN : amide:sc= -0.0427 K(o=-0.043,f=-1.5!) USER MOD Single : A 162 TYR OH : rot 180:sc= 0 USER MOD Single : A 171 ASN : amide:sc= -0.109 K(o=-0.11,f=-2) USER MOD Single : A 172 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -0.167 5.742 -0.455 1.00 25.00 N ATOM 2 CA HIS A 1 0.516 6.634 -1.400 1.00 25.00 C ATOM 3 C HIS A 1 1.078 5.864 -2.640 1.00 25.00 C ATOM 4 O HIS A 1 0.864 6.364 -3.813 1.00 25.00 O ATOM 5 CB HIS A 1 1.578 7.514 -0.719 1.00 0.00 C ATOM 6 CG HIS A 1 2.815 6.781 -0.315 1.00 0.00 C ATOM 7 ND1 HIS A 1 2.846 5.793 0.670 1.00 0.00 N ATOM 8 CD2 HIS A 1 4.061 6.819 -0.884 1.00 0.00 C ATOM 9 CE1 HIS A 1 4.131 5.376 0.759 1.00 0.00 C ATOM 10 NE2 HIS A 1 4.882 5.993 -0.200 1.00 0.00 N ATOM 0 H1 HIS A 1 -0.639 6.309 0.278 1.00 25.00 H new ATOM 0 H2 HIS A 1 -0.875 5.175 -0.963 1.00 25.00 H new ATOM 0 H3 HIS A 1 0.528 5.110 -0.010 1.00 25.00 H new ATOM 0 HA HIS A 1 -0.242 7.318 -1.781 1.00 25.00 H new ATOM 0 HB2 HIS A 1 1.853 8.322 -1.397 1.00 0.00 H new ATOM 0 HB3 HIS A 1 1.138 7.976 0.165 1.00 0.00 H new ATOM 0 HD2 HIS A 1 4.341 7.413 -1.741 1.00 0.00 H new ATOM 0 HE1 HIS A 1 4.505 4.663 1.479 1.00 0.00 H new ATOM 0 HE2 HIS A 1 5.879 5.856 -0.369 1.00 0.00 H new ATOM 17 N GLY A 2 1.772 4.765 -2.415 1.00 25.00 N ATOM 18 CA GLY A 2 2.170 3.883 -3.494 1.00 25.00 C ATOM 19 C GLY A 2 3.093 4.547 -4.455 1.00 25.00 C ATOM 20 O GLY A 2 4.097 5.074 -4.023 1.00 25.00 O ATOM 0 H GLY A 2 2.073 4.461 -1.489 1.00 25.00 H new ATOM 0 HA2 GLY A 2 2.656 3.000 -3.078 1.00 25.00 H new ATOM 0 HA3 GLY A 2 1.283 3.539 -4.025 1.00 25.00 H new ATOM 24 N PHE A 3 2.694 4.537 -5.696 1.00 25.00 N ATOM 25 CA PHE A 3 3.387 5.267 -6.799 1.00 25.00 C ATOM 26 C PHE A 3 2.519 6.383 -7.339 1.00 25.00 C ATOM 27 O PHE A 3 1.303 6.471 -7.131 1.00 25.00 O ATOM 28 CB PHE A 3 3.659 4.259 -7.951 1.00 25.00 C ATOM 29 CG PHE A 3 4.464 3.108 -7.537 1.00 25.00 C ATOM 30 CD1 PHE A 3 5.775 3.209 -7.008 1.00 50.00 C ATOM 31 CD2 PHE A 3 3.845 1.854 -7.605 1.00 50.00 C ATOM 32 CE1 PHE A 3 6.436 2.065 -6.555 1.00 25.00 C ATOM 33 CE2 PHE A 3 4.498 0.738 -7.166 1.00 25.00 C ATOM 34 CZ PHE A 3 5.760 0.822 -6.671 1.00 25.00 C ATOM 0 H PHE A 3 1.869 4.023 -6.007 1.00 25.00 H new ATOM 0 HA PHE A 3 4.312 5.696 -6.414 1.00 25.00 H new ATOM 0 HB2 PHE A 3 2.707 3.904 -8.346 1.00 25.00 H new ATOM 0 HB3 PHE A 3 4.169 4.776 -8.764 1.00 25.00 H new ATOM 0 HD1 PHE A 3 6.263 4.171 -6.955 1.00 50.00 H new ATOM 0 HD2 PHE A 3 2.846 1.769 -8.007 1.00 50.00 H new ATOM 0 HE1 PHE A 3 7.428 2.124 -6.131 1.00 25.00 H new ATOM 0 HE2 PHE A 3 4.006 -0.222 -7.213 1.00 25.00 H new ATOM 0 HZ PHE A 3 6.263 -0.081 -6.357 1.00 25.00 H new ATOM 44 N ILE A 4 3.107 7.303 -8.080 1.00 25.00 N ATOM 45 CA ILE A 4 2.376 8.322 -8.791 1.00 25.00 C ATOM 46 C ILE A 4 2.242 7.722 -10.222 1.00 25.00 C ATOM 47 O ILE A 4 3.244 7.359 -10.812 1.00 25.00 O ATOM 48 CB ILE A 4 3.071 9.668 -8.904 1.00 25.00 C ATOM 49 CG1 ILE A 4 3.271 10.160 -7.488 1.00 25.00 C ATOM 50 CG2 ILE A 4 2.165 10.584 -9.712 1.00 25.00 C ATOM 51 CD1 ILE A 4 4.036 11.502 -7.217 1.00 25.00 C ATOM 0 H ILE A 4 4.118 7.360 -8.203 1.00 25.00 H new ATOM 0 HA ILE A 4 1.448 8.540 -8.263 1.00 25.00 H new ATOM 0 HB ILE A 4 4.037 9.624 -9.407 1.00 25.00 H new ATOM 0 HG12 ILE A 4 2.283 10.255 -7.037 1.00 25.00 H new ATOM 0 HG13 ILE A 4 3.796 9.374 -6.944 1.00 25.00 H new ATOM 0 HG21 ILE A 4 2.634 11.563 -9.813 1.00 25.00 H new ATOM 0 HG22 ILE A 4 2.003 10.155 -10.701 1.00 25.00 H new ATOM 0 HG23 ILE A 4 1.208 10.692 -9.202 1.00 25.00 H new ATOM 0 HD11 ILE A 4 4.078 11.687 -6.144 1.00 25.00 H new ATOM 0 HD12 ILE A 4 5.049 11.430 -7.613 1.00 25.00 H new ATOM 0 HD13 ILE A 4 3.513 12.324 -7.706 1.00 25.00 H new ATOM 63 N GLU A 5 1.012 7.537 -10.683 1.00 25.00 N ATOM 64 CA GLU A 5 0.764 6.912 -11.938 1.00 25.00 C ATOM 65 C GLU A 5 0.689 7.993 -13.001 1.00 25.00 C ATOM 66 O GLU A 5 1.154 7.742 -14.088 1.00 25.00 O ATOM 67 CB GLU A 5 -0.598 6.153 -11.900 1.00 25.00 C ATOM 68 CG GLU A 5 -0.985 5.530 -13.212 1.00 25.00 C ATOM 69 CD GLU A 5 -0.216 4.304 -13.571 1.00 25.00 C ATOM 70 OE1 GLU A 5 -0.248 3.277 -12.854 1.00 25.00 O ATOM 71 OE2 GLU A 5 0.491 4.407 -14.589 1.00 25.00 O1- ATOM 0 H GLU A 5 0.170 7.823 -10.183 1.00 25.00 H new ATOM 0 HA GLU A 5 1.562 6.203 -12.157 1.00 25.00 H new ATOM 0 HB2 GLU A 5 -0.547 5.373 -11.140 1.00 25.00 H new ATOM 0 HB3 GLU A 5 -1.381 6.847 -11.593 1.00 25.00 H new ATOM 0 HG2 GLU A 5 -2.046 5.281 -13.181 1.00 25.00 H new ATOM 0 HG3 GLU A 5 -0.854 6.269 -14.002 1.00 25.00 H new ATOM 78 N LYS A 6 0.187 9.162 -12.694 1.00 25.00 N ATOM 79 CA LYS A 6 0.179 10.310 -13.583 1.00 25.00 C ATOM 80 C LYS A 6 0.448 11.577 -12.799 1.00 25.00 C ATOM 81 O LYS A 6 -0.052 11.744 -11.709 1.00 25.00 O ATOM 82 CB LYS A 6 -1.225 10.374 -14.283 1.00 25.00 C ATOM 83 CG LYS A 6 -1.324 11.404 -15.344 1.00 25.00 C ATOM 84 CD LYS A 6 -2.792 11.366 -15.893 1.00 25.00 C ATOM 85 CE LYS A 6 -3.129 12.357 -16.959 1.00 25.00 C ATOM 86 NZ LYS A 6 -4.534 12.112 -17.507 1.00 25.00 N1+ ATOM 0 H LYS A 6 -0.243 9.354 -11.789 1.00 25.00 H new ATOM 0 HA LYS A 6 0.961 10.214 -14.336 1.00 25.00 H new ATOM 0 HB2 LYS A 6 -1.448 9.399 -14.716 1.00 25.00 H new ATOM 0 HB3 LYS A 6 -1.987 10.570 -13.529 1.00 25.00 H new ATOM 0 HG2 LYS A 6 -1.088 12.391 -14.945 1.00 25.00 H new ATOM 0 HG3 LYS A 6 -0.610 11.204 -16.142 1.00 25.00 H new ATOM 0 HD2 LYS A 6 -2.985 10.366 -16.283 1.00 25.00 H new ATOM 0 HD3 LYS A 6 -3.474 11.519 -15.056 1.00 25.00 H new ATOM 0 HE2 LYS A 6 -3.063 13.367 -16.556 1.00 25.00 H new ATOM 0 HE3 LYS A 6 -2.402 12.288 -17.768 1.00 25.00 H new ATOM 0 HZ1 LYS A 6 -4.752 12.823 -18.234 1.00 25.00 H new ATOM 0 HZ2 LYS A 6 -4.582 11.162 -17.927 1.00 25.00 H new ATOM 0 HZ3 LYS A 6 -5.226 12.184 -16.734 1.00 25.00 H new ATOM 100 N PRO A 7 1.358 12.433 -13.306 1.00 25.00 N ATOM 101 CA PRO A 7 2.194 12.292 -14.492 1.00 25.00 C ATOM 102 C PRO A 7 3.278 11.244 -14.228 1.00 25.00 C ATOM 103 O PRO A 7 3.878 11.129 -13.139 1.00 25.00 O ATOM 104 CB PRO A 7 2.823 13.696 -14.632 1.00 25.00 C ATOM 105 CG PRO A 7 2.968 14.224 -13.235 1.00 25.00 C ATOM 106 CD PRO A 7 1.631 13.695 -12.594 1.00 25.00 C ATOM 0 HA PRO A 7 1.654 11.972 -15.384 1.00 25.00 H new ATOM 0 HB2 PRO A 7 3.790 13.642 -15.131 1.00 25.00 H new ATOM 0 HB3 PRO A 7 2.190 14.349 -15.233 1.00 25.00 H new ATOM 0 HG2 PRO A 7 3.853 13.833 -12.733 1.00 25.00 H new ATOM 0 HG3 PRO A 7 3.040 15.311 -13.207 1.00 25.00 H new ATOM 0 HD2 PRO A 7 1.742 13.531 -11.522 1.00 25.00 H new ATOM 0 HD3 PRO A 7 0.818 14.409 -12.725 1.00 25.00 H new ATOM 114 N GLY A 8 3.588 10.510 -15.298 1.00 25.00 N ATOM 115 CA GLY A 8 4.745 9.632 -15.280 1.00 25.00 C ATOM 116 C GLY A 8 5.746 10.048 -16.323 1.00 25.00 C ATOM 117 O GLY A 8 5.313 10.455 -17.411 1.00 25.00 O ATOM 0 H GLY A 8 3.061 10.509 -16.171 1.00 25.00 H new ATOM 0 HA2 GLY A 8 5.209 9.655 -14.294 1.00 25.00 H new ATOM 0 HA3 GLY A 8 4.430 8.604 -15.461 1.00 25.00 H new ATOM 121 N SER A 9 7.049 10.137 -15.985 1.00 25.00 N ATOM 122 CA SER A 9 8.073 10.612 -16.930 1.00 25.00 C ATOM 123 C SER A 9 9.404 9.895 -16.619 1.00 25.00 C ATOM 124 O SER A 9 10.490 10.481 -16.594 1.00 25.00 O ATOM 125 CB SER A 9 8.242 12.104 -16.774 1.00 25.00 C ATOM 126 OG SER A 9 8.838 12.773 -17.854 1.00 25.00 O ATOM 0 H SER A 9 7.413 9.886 -15.066 1.00 25.00 H new ATOM 0 HA SER A 9 7.771 10.394 -17.955 1.00 25.00 H new ATOM 0 HB2 SER A 9 7.261 12.544 -16.597 1.00 25.00 H new ATOM 0 HB3 SER A 9 8.840 12.290 -15.882 1.00 25.00 H new ATOM 0 HG SER A 9 8.289 13.545 -18.104 1.00 25.00 H new ATOM 132 N ARG A 10 9.298 8.654 -16.216 1.00 25.00 N ATOM 133 CA ARG A 10 10.437 7.976 -15.616 1.00 25.00 C ATOM 134 C ARG A 10 11.561 7.788 -16.568 1.00 25.00 C ATOM 135 O ARG A 10 12.680 7.717 -16.073 1.00 25.00 O ATOM 136 CB ARG A 10 10.061 6.634 -14.961 1.00 25.00 C ATOM 137 CG ARG A 10 8.959 6.650 -13.976 1.00 25.00 C ATOM 138 CD ARG A 10 8.830 5.277 -13.302 1.00 25.00 C ATOM 139 NE ARG A 10 9.886 4.935 -12.348 1.00 25.00 N ATOM 140 CZ ARG A 10 10.078 3.754 -11.782 1.00 25.00 C ATOM 141 NH1 ARG A 10 10.967 3.637 -10.860 1.00 25.00 N1+ ATOM 142 NH2 ARG A 10 9.470 2.641 -12.161 1.00 25.00 N ATOM 0 H ARG A 10 8.450 8.092 -16.287 1.00 25.00 H new ATOM 0 HA ARG A 10 10.777 8.645 -14.826 1.00 25.00 H new ATOM 0 HB2 ARG A 10 9.796 5.934 -15.753 1.00 25.00 H new ATOM 0 HB3 ARG A 10 10.949 6.238 -14.469 1.00 25.00 H new ATOM 0 HG2 ARG A 10 9.145 7.416 -13.224 1.00 25.00 H new ATOM 0 HG3 ARG A 10 8.023 6.910 -14.471 1.00 25.00 H new ATOM 0 HD2 ARG A 10 7.871 5.236 -12.785 1.00 25.00 H new ATOM 0 HD3 ARG A 10 8.806 4.513 -14.079 1.00 25.00 H new ATOM 0 HE ARG A 10 10.537 5.679 -12.095 1.00 25.00 H new ATOM 0 HH11 ARG A 10 11.514 4.449 -10.573 1.00 25.00 H new ATOM 0 HH12 ARG A 10 11.125 2.733 -10.416 1.00 25.00 H new ATOM 0 HH21 ARG A 10 8.806 2.661 -12.935 1.00 25.00 H new ATOM 0 HH22 ARG A 10 9.666 1.764 -11.679 1.00 25.00 H new ATOM 156 N ALA A 11 11.373 7.714 -17.877 1.00 25.00 N ATOM 157 CA ALA A 11 12.549 7.420 -18.722 1.00 25.00 C ATOM 158 C ALA A 11 13.397 8.677 -18.854 1.00 25.00 C ATOM 159 O ALA A 11 14.600 8.653 -18.866 1.00 25.00 O ATOM 160 CB ALA A 11 12.156 6.895 -20.103 1.00 25.00 C ATOM 0 H ALA A 11 10.486 7.842 -18.364 1.00 25.00 H new ATOM 0 HA ALA A 11 13.123 6.630 -18.237 1.00 25.00 H new ATOM 0 HB1 ALA A 11 13.055 6.694 -20.685 1.00 25.00 H new ATOM 0 HB2 ALA A 11 11.582 5.975 -19.993 1.00 25.00 H new ATOM 0 HB3 ALA A 11 11.550 7.641 -20.617 1.00 25.00 H new ATOM 166 N ALA A 12 12.713 9.809 -18.828 1.00 25.00 N ATOM 167 CA ALA A 12 13.374 11.126 -18.773 1.00 25.00 C ATOM 168 C ALA A 12 14.168 11.333 -17.476 1.00 25.00 C ATOM 169 O ALA A 12 15.341 11.830 -17.507 1.00 25.00 O ATOM 170 CB ALA A 12 12.408 12.288 -18.895 1.00 25.00 C ATOM 0 H ALA A 12 11.694 9.854 -18.844 1.00 25.00 H new ATOM 0 HA ALA A 12 14.045 11.116 -19.632 1.00 25.00 H new ATOM 0 HB1 ALA A 12 12.960 13.227 -18.847 1.00 25.00 H new ATOM 0 HB2 ALA A 12 11.882 12.225 -19.847 1.00 25.00 H new ATOM 0 HB3 ALA A 12 11.687 12.249 -18.079 1.00 25.00 H new ATOM 176 N LEU A 13 13.588 10.902 -16.356 1.00 25.00 N ATOM 177 CA LEU A 13 14.222 11.000 -15.055 1.00 25.00 C ATOM 178 C LEU A 13 15.455 10.081 -15.000 1.00 25.00 C ATOM 179 O LEU A 13 16.444 10.374 -14.321 1.00 25.00 O ATOM 180 CB LEU A 13 13.292 10.530 -13.945 1.00 25.00 C ATOM 181 CG LEU A 13 12.031 11.437 -13.696 1.00 25.00 C ATOM 182 CD1 LEU A 13 11.227 10.771 -12.606 1.00 75.00 C ATOM 183 CD2 LEU A 13 12.417 12.888 -13.290 1.00 75.00 C ATOM 0 H LEU A 13 12.662 10.475 -16.333 1.00 25.00 H new ATOM 0 HA LEU A 13 14.487 12.048 -14.913 1.00 25.00 H new ATOM 0 HB2 LEU A 13 12.953 9.521 -14.180 1.00 25.00 H new ATOM 0 HB3 LEU A 13 13.862 10.466 -13.018 1.00 25.00 H new ATOM 0 HG LEU A 13 11.454 11.532 -14.616 1.00 25.00 H new ATOM 0 HD11 LEU A 13 10.337 11.365 -12.396 1.00 75.00 H new ATOM 0 HD12 LEU A 13 10.930 9.774 -12.931 1.00 75.00 H new ATOM 0 HD13 LEU A 13 11.833 10.693 -11.703 1.00 75.00 H new ATOM 0 HD21 LEU A 13 11.512 13.474 -13.129 1.00 75.00 H new ATOM 0 HD22 LEU A 13 13.002 12.865 -12.371 1.00 75.00 H new ATOM 0 HD23 LEU A 13 13.008 13.343 -14.085 1.00 75.00 H new ATOM 398 N MET A 29 14.859 5.689 -6.565 1.00 25.00 N ATOM 399 CA MET A 29 13.615 5.192 -7.105 1.00 25.00 C ATOM 400 C MET A 29 13.198 3.798 -6.627 1.00 25.00 C ATOM 401 O MET A 29 12.134 3.296 -7.015 1.00 25.00 O ATOM 402 CB MET A 29 13.639 5.151 -8.593 1.00 25.00 C ATOM 403 CG MET A 29 14.590 4.137 -9.236 1.00 25.00 C ATOM 404 SD MET A 29 14.448 4.256 -11.098 1.00 25.00 S ATOM 405 CE MET A 29 15.494 2.949 -11.531 1.00 25.00 C ATOM 0 HA MET A 29 12.885 5.908 -6.727 1.00 25.00 H new ATOM 0 HB2 MET A 29 12.629 4.941 -8.944 1.00 25.00 H new ATOM 0 HB3 MET A 29 13.903 6.144 -8.957 1.00 25.00 H new ATOM 0 HG2 MET A 29 15.616 4.334 -8.924 1.00 25.00 H new ATOM 0 HG3 MET A 29 14.344 3.128 -8.904 1.00 25.00 H new ATOM 0 HE1 MET A 29 15.538 2.862 -12.617 1.00 25.00 H new ATOM 0 HE2 MET A 29 16.494 3.139 -11.142 1.00 25.00 H new ATOM 0 HE3 MET A 29 15.111 2.021 -11.108 1.00 25.00 H new ATOM 415 N TYR A 30 14.048 3.111 -5.902 1.00 25.00 N ATOM 416 CA TYR A 30 13.815 1.683 -5.671 1.00 25.00 C ATOM 417 C TYR A 30 12.545 1.231 -4.903 1.00 25.00 C ATOM 418 O TYR A 30 11.795 0.291 -5.360 1.00 25.00 O ATOM 419 CB TYR A 30 15.039 1.155 -4.979 1.00 25.00 C ATOM 420 CG TYR A 30 14.897 -0.289 -4.569 1.00 25.00 C ATOM 421 CD1 TYR A 30 14.562 -1.315 -5.571 1.00 50.00 C ATOM 422 CD2 TYR A 30 15.159 -0.708 -3.301 1.00 50.00 C ATOM 423 CE1 TYR A 30 14.447 -2.663 -5.190 1.00 25.00 C ATOM 424 CE2 TYR A 30 15.002 -2.060 -2.911 1.00 25.00 C ATOM 425 CZ TYR A 30 14.642 -3.044 -3.829 1.00 25.00 C ATOM 426 OH TYR A 30 14.564 -4.334 -3.455 1.00 25.00 O ATOM 0 H TYR A 30 14.888 3.493 -5.467 1.00 25.00 H new ATOM 0 HA TYR A 30 13.622 1.271 -6.662 1.00 25.00 H new ATOM 0 HB2 TYR A 30 15.899 1.258 -5.641 1.00 25.00 H new ATOM 0 HB3 TYR A 30 15.242 1.761 -4.096 1.00 25.00 H new ATOM 0 HD1 TYR A 30 14.404 -1.031 -6.601 1.00 50.00 H new ATOM 0 HD2 TYR A 30 15.497 0.012 -2.570 1.00 50.00 H new ATOM 0 HE1 TYR A 30 14.210 -3.413 -5.930 1.00 25.00 H new ATOM 0 HE2 TYR A 30 15.165 -2.334 -1.879 1.00 25.00 H new ATOM 0 HH TYR A 30 14.725 -4.405 -2.491 1.00 25.00 H new ATOM 436 N GLU A 31 12.267 1.927 -3.814 1.00 25.00 N ATOM 437 CA GLU A 31 11.080 1.693 -3.020 1.00 25.00 C ATOM 438 C GLU A 31 10.407 2.887 -2.443 1.00 25.00 C ATOM 439 O GLU A 31 10.312 3.087 -1.205 1.00 25.00 O ATOM 440 CB GLU A 31 11.325 0.560 -2.038 1.00 25.00 C ATOM 441 CG GLU A 31 12.553 0.594 -1.156 1.00 25.00 C ATOM 442 CD GLU A 31 12.586 -0.590 -0.161 1.00 25.00 C ATOM 443 OE1 GLU A 31 13.727 -0.947 0.252 1.00 25.00 O ATOM 444 OE2 GLU A 31 11.547 -1.272 0.090 1.00 25.00 O1- ATOM 0 H GLU A 31 12.863 2.673 -3.457 1.00 25.00 H new ATOM 0 HA GLU A 31 10.312 1.375 -3.725 1.00 25.00 H new ATOM 0 HB2 GLU A 31 10.455 0.500 -1.385 1.00 25.00 H new ATOM 0 HB3 GLU A 31 11.359 -0.367 -2.610 1.00 25.00 H new ATOM 0 HG2 GLU A 31 13.447 0.569 -1.779 1.00 25.00 H new ATOM 0 HG3 GLU A 31 12.576 1.533 -0.603 1.00 25.00 H new ATOM 451 N PRO A 32 9.912 3.793 -3.317 1.00 25.00 N ATOM 452 CA PRO A 32 9.295 5.015 -2.745 1.00 25.00 C ATOM 453 C PRO A 32 7.957 4.740 -1.995 1.00 25.00 C ATOM 454 O PRO A 32 7.545 5.450 -1.096 1.00 25.00 O ATOM 455 CB PRO A 32 8.983 5.838 -3.980 1.00 25.00 C ATOM 456 CG PRO A 32 8.688 4.822 -5.059 1.00 25.00 C ATOM 457 CD PRO A 32 9.759 3.768 -4.786 1.00 25.00 C ATOM 0 HA PRO A 32 9.955 5.481 -2.013 1.00 25.00 H new ATOM 0 HB2 PRO A 32 8.130 6.495 -3.812 1.00 25.00 H new ATOM 0 HB3 PRO A 32 9.825 6.473 -4.255 1.00 25.00 H new ATOM 0 HG2 PRO A 32 7.681 4.415 -4.974 1.00 25.00 H new ATOM 0 HG3 PRO A 32 8.777 5.248 -6.059 1.00 25.00 H new ATOM 0 HD2 PRO A 32 9.451 2.784 -5.139 1.00 25.00 H new ATOM 0 HD3 PRO A 32 10.695 4.009 -5.290 1.00 25.00 H new ATOM 465 N GLN A 33 7.295 3.620 -2.307 1.00 25.00 N ATOM 466 CA GLN A 33 6.108 3.109 -1.654 1.00 25.00 C ATOM 467 C GLN A 33 6.321 2.544 -0.258 1.00 25.00 C ATOM 468 O GLN A 33 5.327 2.424 0.509 1.00 25.00 O ATOM 469 CB GLN A 33 5.370 2.064 -2.496 1.00 25.00 C ATOM 470 CG GLN A 33 5.892 0.625 -2.419 1.00 25.00 C ATOM 471 CD GLN A 33 7.236 0.383 -3.173 1.00 25.00 C ATOM 472 OE1 GLN A 33 7.768 1.237 -3.807 1.00 25.00 O ATOM 473 NE2 GLN A 33 7.809 -0.771 -2.895 1.00 25.00 N ATOM 0 H GLN A 33 7.601 3.017 -3.071 1.00 25.00 H new ATOM 0 HA GLN A 33 5.497 4.005 -1.548 1.00 25.00 H new ATOM 0 HB2 GLN A 33 4.322 2.063 -2.195 1.00 25.00 H new ATOM 0 HB3 GLN A 33 5.402 2.382 -3.538 1.00 25.00 H new ATOM 0 HG2 GLN A 33 6.024 0.356 -1.371 1.00 25.00 H new ATOM 0 HG3 GLN A 33 5.135 -0.045 -2.827 1.00 25.00 H new ATOM 0 HE21 GLN A 33 7.308 -1.470 -2.347 1.00 25.00 H new ATOM 0 HE22 GLN A 33 8.753 -0.965 -3.228 1.00 25.00 H new ATOM 482 N SER A 34 7.574 2.265 0.203 1.00 25.00 N ATOM 483 CA SER A 34 7.841 1.736 1.517 1.00 25.00 C ATOM 484 C SER A 34 7.958 2.785 2.640 1.00 25.00 C ATOM 485 O SER A 34 8.254 2.452 3.845 1.00 25.00 O ATOM 486 CB SER A 34 9.116 0.875 1.469 1.00 25.00 C ATOM 487 OG SER A 34 8.836 -0.310 0.788 1.00 25.00 O ATOM 0 H SER A 34 8.415 2.412 -0.354 1.00 25.00 H new ATOM 0 HA SER A 34 6.965 1.141 1.778 1.00 25.00 H new ATOM 0 HB2 SER A 34 9.918 1.417 0.968 1.00 25.00 H new ATOM 0 HB3 SER A 34 9.461 0.656 2.479 1.00 25.00 H new ATOM 0 HG SER A 34 9.675 -0.736 0.514 1.00 25.00 H new ATOM 493 N LEU A 35 7.741 4.068 2.239 1.00 25.00 N ATOM 494 CA LEU A 35 7.808 5.224 3.147 1.00 25.00 C ATOM 495 C LEU A 35 6.631 5.032 4.084 1.00 25.00 C ATOM 496 O LEU A 35 5.569 4.408 3.761 1.00 25.00 O ATOM 497 CB LEU A 35 7.682 6.550 2.428 1.00 25.00 C ATOM 498 CG LEU A 35 8.815 7.077 1.590 1.00 25.00 C ATOM 499 CD1 LEU A 35 8.511 8.325 0.731 1.00 50.00 C ATOM 500 CD2 LEU A 35 9.974 7.358 2.417 1.00 50.00 C ATOM 0 H LEU A 35 7.516 4.319 1.276 1.00 25.00 H new ATOM 0 HA LEU A 35 8.773 5.263 3.653 1.00 25.00 H new ATOM 0 HB2 LEU A 35 6.808 6.483 1.780 1.00 25.00 H new ATOM 0 HB3 LEU A 35 7.462 7.305 3.183 1.00 25.00 H new ATOM 0 HG LEU A 35 9.002 6.270 0.882 1.00 25.00 H new ATOM 0 HD11 LEU A 35 9.403 8.609 0.173 1.00 50.00 H new ATOM 0 HD12 LEU A 35 7.704 8.099 0.034 1.00 50.00 H new ATOM 0 HD13 LEU A 35 8.211 9.148 1.379 1.00 50.00 H new ATOM 0 HD21 LEU A 35 10.783 7.738 1.793 1.00 50.00 H new ATOM 0 HD22 LEU A 35 9.713 8.104 3.167 1.00 50.00 H new ATOM 0 HD23 LEU A 35 10.298 6.443 2.913 1.00 50.00 H new ATOM 512 N GLU A 36 6.784 5.531 5.304 1.00 25.00 N ATOM 513 CA GLU A 36 5.834 5.485 6.364 1.00 25.00 C ATOM 514 C GLU A 36 5.728 6.853 6.948 1.00 25.00 C ATOM 515 O GLU A 36 6.596 7.639 6.699 1.00 25.00 O ATOM 516 CB GLU A 36 6.310 4.513 7.403 1.00 25.00 C ATOM 517 CG GLU A 36 6.585 3.075 6.980 1.00 25.00 C ATOM 518 CD GLU A 36 5.413 2.230 6.684 1.00 25.00 C ATOM 519 OE1 GLU A 36 4.278 2.697 6.933 1.00 25.00 O ATOM 520 OE2 GLU A 36 5.554 1.067 6.383 1.00 25.00 O1- ATOM 0 H GLU A 36 7.642 6.008 5.579 1.00 25.00 H new ATOM 0 HA GLU A 36 4.858 5.163 6.001 1.00 25.00 H new ATOM 0 HB2 GLU A 36 7.227 4.913 7.836 1.00 25.00 H new ATOM 0 HB3 GLU A 36 5.566 4.488 8.199 1.00 25.00 H new ATOM 0 HG2 GLU A 36 7.219 3.098 6.094 1.00 25.00 H new ATOM 0 HG3 GLU A 36 7.160 2.593 7.771 1.00 25.00 H new ATOM 527 N ALA A 37 4.680 7.125 7.679 1.00 25.00 N ATOM 528 CA ALA A 37 4.583 8.449 8.343 1.00 25.00 C ATOM 529 C ALA A 37 3.745 8.352 9.637 1.00 25.00 C ATOM 530 O ALA A 37 3.260 7.352 10.045 1.00 25.00 O ATOM 531 CB ALA A 37 4.058 9.499 7.399 1.00 25.00 C ATOM 0 H ALA A 37 3.896 6.493 7.842 1.00 25.00 H new ATOM 0 HA ALA A 37 5.587 8.762 8.630 1.00 25.00 H new ATOM 0 HB1 ALA A 37 3.999 10.457 7.916 1.00 25.00 H new ATOM 0 HB2 ALA A 37 4.729 9.589 6.545 1.00 25.00 H new ATOM 0 HB3 ALA A 37 3.065 9.213 7.052 1.00 25.00 H new ATOM 537 N LYS A 38 3.644 9.517 10.312 1.00 25.00 N ATOM 538 CA LYS A 38 2.942 9.676 11.579 1.00 25.00 C ATOM 539 C LYS A 38 1.386 9.610 11.507 1.00 25.00 C ATOM 540 O LYS A 38 0.800 9.378 10.439 1.00 25.00 O ATOM 541 CB LYS A 38 3.421 11.020 12.180 1.00 25.00 C ATOM 542 CG LYS A 38 4.869 10.986 12.667 1.00 25.00 C ATOM 543 CD LYS A 38 5.357 12.196 13.254 1.00 25.00 C ATOM 544 CE LYS A 38 6.829 12.005 13.781 1.00 25.00 C ATOM 545 NZ LYS A 38 7.435 13.333 14.231 1.00 25.00 N1+ ATOM 0 H LYS A 38 4.061 10.384 9.974 1.00 25.00 H new ATOM 0 HA LYS A 38 3.189 8.821 12.208 1.00 25.00 H new ATOM 0 HB2 LYS A 38 3.317 11.803 11.429 1.00 25.00 H new ATOM 0 HB3 LYS A 38 2.772 11.289 13.013 1.00 25.00 H new ATOM 0 HG2 LYS A 38 4.968 10.184 13.398 1.00 25.00 H new ATOM 0 HG3 LYS A 38 5.510 10.729 11.824 1.00 25.00 H new ATOM 0 HD2 LYS A 38 5.330 13.000 12.518 1.00 25.00 H new ATOM 0 HD3 LYS A 38 4.707 12.495 14.076 1.00 25.00 H new ATOM 0 HE2 LYS A 38 6.831 11.301 14.614 1.00 25.00 H new ATOM 0 HE3 LYS A 38 7.445 11.570 12.994 1.00 25.00 H new ATOM 0 HZ1 LYS A 38 8.404 13.174 14.573 1.00 25.00 H new ATOM 0 HZ2 LYS A 38 7.455 13.995 13.429 1.00 25.00 H new ATOM 0 HZ3 LYS A 38 6.859 13.735 14.998 1.00 25.00 H new ATOM 559 N LYS A 39 0.703 9.661 12.646 1.00 25.00 N ATOM 560 CA LYS A 39 -0.767 9.619 12.705 1.00 25.00 C ATOM 561 C LYS A 39 -1.474 10.725 11.915 1.00 25.00 C ATOM 562 O LYS A 39 -1.029 11.852 12.010 1.00 25.00 O ATOM 563 CB LYS A 39 -1.124 9.684 14.129 1.00 25.00 C ATOM 564 CG LYS A 39 -0.814 8.410 14.798 1.00 25.00 C ATOM 565 CD LYS A 39 -1.169 8.455 16.244 1.00 25.00 C ATOM 566 CE LYS A 39 -0.730 7.234 16.962 1.00 25.00 C ATOM 567 NZ LYS A 39 -1.136 7.129 18.466 1.00 25.00 N1+ ATOM 0 H LYS A 39 1.148 9.733 13.561 1.00 25.00 H new ATOM 0 HA LYS A 39 -1.107 8.700 12.227 1.00 25.00 H new ATOM 0 HB2 LYS A 39 -0.578 10.496 14.610 1.00 25.00 H new ATOM 0 HB3 LYS A 39 -2.186 9.907 14.234 1.00 25.00 H new ATOM 0 HG2 LYS A 39 -1.359 7.600 14.313 1.00 25.00 H new ATOM 0 HG3 LYS A 39 0.248 8.189 14.689 1.00 25.00 H new ATOM 0 HD2 LYS A 39 -0.710 9.330 16.703 1.00 25.00 H new ATOM 0 HD3 LYS A 39 -2.248 8.569 16.349 1.00 25.00 H new ATOM 0 HE2 LYS A 39 -1.132 6.367 16.438 1.00 25.00 H new ATOM 0 HE3 LYS A 39 0.356 7.171 16.896 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 -0.776 6.237 18.861 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 -0.731 7.930 18.992 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 -2.173 7.150 18.548 1.00 25.00 H new ATOM 781 N LEU A 57 10.204 23.864 9.415 1.00 25.00 N ATOM 782 CA LEU A 57 11.097 24.941 9.861 1.00 25.00 C ATOM 783 C LEU A 57 12.242 24.970 8.899 1.00 25.00 C ATOM 784 O LEU A 57 12.325 24.203 7.931 1.00 25.00 O ATOM 785 CB LEU A 57 11.672 24.592 11.321 1.00 25.00 C ATOM 786 CG LEU A 57 10.675 24.300 12.406 1.00 25.00 C ATOM 787 CD1 LEU A 57 11.427 23.722 13.601 1.00 50.00 C ATOM 788 CD2 LEU A 57 9.795 25.488 12.737 1.00 50.00 C ATOM 0 HA LEU A 57 10.570 25.894 9.901 1.00 25.00 H new ATOM 0 HB2 LEU A 57 12.329 23.728 11.226 1.00 25.00 H new ATOM 0 HB3 LEU A 57 12.290 25.428 11.648 1.00 25.00 H new ATOM 0 HG LEU A 57 9.959 23.555 12.059 1.00 25.00 H new ATOM 0 HD11 LEU A 57 10.722 23.502 14.403 1.00 50.00 H new ATOM 0 HD12 LEU A 57 11.935 22.805 13.302 1.00 50.00 H new ATOM 0 HD13 LEU A 57 12.162 24.446 13.953 1.00 50.00 H new ATOM 0 HD21 LEU A 57 9.096 25.214 13.527 1.00 50.00 H new ATOM 0 HD22 LEU A 57 10.416 26.318 13.073 1.00 50.00 H new ATOM 0 HD23 LEU A 57 9.239 25.787 11.849 1.00 50.00 H new ATOM 800 N PHE A 58 13.190 25.822 9.150 1.00 25.00 N ATOM 801 CA PHE A 58 14.368 25.941 8.310 1.00 25.00 C ATOM 802 C PHE A 58 15.278 24.699 8.293 1.00 25.00 C ATOM 803 O PHE A 58 16.057 24.494 7.310 1.00 25.00 O ATOM 804 CB PHE A 58 15.194 27.125 8.783 1.00 25.00 C ATOM 805 CG PHE A 58 14.500 28.442 8.659 1.00 25.00 C ATOM 806 CD1 PHE A 58 13.737 29.047 9.674 1.00 50.00 C ATOM 807 CD2 PHE A 58 14.623 29.084 7.388 1.00 50.00 C ATOM 808 CE1 PHE A 58 13.064 30.312 9.419 1.00 25.00 C ATOM 809 CE2 PHE A 58 13.897 30.298 7.102 1.00 25.00 C ATOM 810 CZ PHE A 58 13.173 30.918 8.124 1.00 25.00 C ATOM 0 H PHE A 58 13.178 26.462 9.944 1.00 25.00 H new ATOM 0 HA PHE A 58 13.994 26.067 7.294 1.00 25.00 H new ATOM 0 HB2 PHE A 58 15.469 26.968 9.826 1.00 25.00 H new ATOM 0 HB3 PHE A 58 16.121 27.160 8.210 1.00 25.00 H new ATOM 0 HD1 PHE A 58 13.651 28.574 10.641 1.00 50.00 H new ATOM 0 HD2 PHE A 58 15.266 28.656 6.633 1.00 50.00 H new ATOM 0 HE1 PHE A 58 12.488 30.790 10.198 1.00 25.00 H new ATOM 0 HE2 PHE A 58 13.913 30.723 6.109 1.00 25.00 H new ATOM 0 HZ PHE A 58 12.690 31.865 7.936 1.00 25.00 H new ATOM 820 N GLY A 59 15.082 23.807 9.224 1.00 25.00 N ATOM 821 CA GLY A 59 15.723 22.525 9.271 1.00 25.00 C ATOM 822 C GLY A 59 15.333 21.702 8.051 1.00 25.00 C ATOM 823 O GLY A 59 15.995 20.676 7.687 1.00 25.00 O ATOM 0 H GLY A 59 14.443 23.962 10.004 1.00 25.00 H new ATOM 0 HA2 GLY A 59 16.805 22.651 9.304 1.00 25.00 H new ATOM 0 HA3 GLY A 59 15.436 21.999 10.182 1.00 25.00 H new ATOM 827 N GLY A 60 14.190 22.018 7.403 1.00 25.00 N ATOM 828 CA GLY A 60 13.684 21.226 6.303 1.00 25.00 C ATOM 829 C GLY A 60 14.449 21.541 5.004 1.00 25.00 C ATOM 830 O GLY A 60 14.298 20.909 3.915 1.00 25.00 O ATOM 0 H GLY A 60 13.611 22.824 7.638 1.00 25.00 H new ATOM 0 HA2 GLY A 60 13.779 20.166 6.538 1.00 25.00 H new ATOM 0 HA3 GLY A 60 12.622 21.427 6.163 1.00 25.00 H new ATOM 834 N ILE A 61 15.225 22.613 4.985 1.00 25.00 N ATOM 835 CA ILE A 61 16.043 23.055 3.840 1.00 25.00 C ATOM 836 C ILE A 61 17.186 22.058 3.733 1.00 25.00 C ATOM 837 O ILE A 61 17.510 21.608 2.661 1.00 25.00 O ATOM 838 CB ILE A 61 16.535 24.519 4.126 1.00 25.00 C ATOM 839 CG1 ILE A 61 15.344 25.489 4.296 1.00 25.00 C ATOM 840 CG2 ILE A 61 17.536 25.093 3.011 1.00 25.00 C ATOM 841 CD1 ILE A 61 15.699 27.005 4.753 1.00 25.00 C ATOM 0 H ILE A 61 15.314 23.230 5.792 1.00 25.00 H new ATOM 0 HA ILE A 61 15.500 23.080 2.895 1.00 25.00 H new ATOM 0 HB ILE A 61 17.095 24.454 5.059 1.00 25.00 H new ATOM 0 HG12 ILE A 61 14.806 25.536 3.349 1.00 25.00 H new ATOM 0 HG13 ILE A 61 14.660 25.063 5.031 1.00 25.00 H new ATOM 0 HG21 ILE A 61 17.833 26.108 3.276 1.00 25.00 H new ATOM 0 HG22 ILE A 61 18.421 24.459 2.955 1.00 25.00 H new ATOM 0 HG23 ILE A 61 17.035 25.103 2.043 1.00 25.00 H new ATOM 0 HD11 ILE A 61 14.780 27.585 4.837 1.00 25.00 H new ATOM 0 HD12 ILE A 61 16.204 26.985 5.719 1.00 25.00 H new ATOM 0 HD13 ILE A 61 16.352 27.465 4.011 1.00 25.00 H new ATOM 853 N LEU A 62 17.725 21.592 4.848 1.00 25.00 N ATOM 854 CA LEU A 62 18.750 20.550 4.866 1.00 25.00 C ATOM 855 C LEU A 62 18.213 19.233 4.308 1.00 25.00 C ATOM 856 O LEU A 62 18.944 18.445 3.680 1.00 25.00 O ATOM 857 CB LEU A 62 19.250 20.387 6.302 1.00 25.00 C ATOM 858 CG LEU A 62 20.182 21.465 6.915 1.00 25.00 C ATOM 859 CD1 LEU A 62 19.548 22.898 7.053 1.00 75.00 C ATOM 860 CD2 LEU A 62 20.637 21.072 8.323 1.00 75.00 C ATOM 0 H LEU A 62 17.464 21.926 5.776 1.00 25.00 H new ATOM 0 HA LEU A 62 19.580 20.843 4.224 1.00 25.00 H new ATOM 0 HB2 LEU A 62 18.374 20.309 6.946 1.00 25.00 H new ATOM 0 HB3 LEU A 62 19.773 19.433 6.359 1.00 25.00 H new ATOM 0 HG LEU A 62 21.005 21.512 6.202 1.00 25.00 H new ATOM 0 HD11 LEU A 62 20.278 23.578 7.491 1.00 75.00 H new ATOM 0 HD12 LEU A 62 19.257 23.263 6.068 1.00 75.00 H new ATOM 0 HD13 LEU A 62 18.669 22.847 7.695 1.00 75.00 H new ATOM 0 HD21 LEU A 62 21.289 21.848 8.725 1.00 75.00 H new ATOM 0 HD22 LEU A 62 19.766 20.959 8.969 1.00 75.00 H new ATOM 0 HD23 LEU A 62 21.181 20.128 8.280 1.00 75.00 H new ATOM 872 N ASP A 63 16.918 18.939 4.498 1.00 25.00 N ATOM 873 CA ASP A 63 16.374 17.691 4.004 1.00 25.00 C ATOM 874 C ASP A 63 16.226 17.721 2.473 1.00 25.00 C ATOM 875 O ASP A 63 16.276 16.665 1.814 1.00 25.00 O ATOM 876 CB ASP A 63 14.973 17.511 4.636 1.00 25.00 C ATOM 877 CG ASP A 63 14.432 16.081 4.422 1.00 25.00 C ATOM 878 OD1 ASP A 63 13.302 15.890 4.002 1.00 50.00 O ATOM 879 OD2 ASP A 63 15.187 15.128 4.889 1.00 50.00 O1- ATOM 0 H ASP A 63 16.251 19.541 4.980 1.00 25.00 H new ATOM 0 HA ASP A 63 17.044 16.872 4.267 1.00 25.00 H new ATOM 0 HB2 ASP A 63 15.025 17.725 5.704 1.00 25.00 H new ATOM 0 HB3 ASP A 63 14.281 18.231 4.200 1.00 25.00 H new ATOM 884 N GLN A 64 16.293 18.919 1.843 1.00 25.00 N ATOM 885 CA GLN A 64 16.409 19.035 0.368 1.00 25.00 C ATOM 886 C GLN A 64 17.843 19.133 -0.163 1.00 25.00 C ATOM 887 O GLN A 64 18.103 19.388 -1.298 1.00 25.00 O ATOM 888 CB GLN A 64 15.771 20.379 0.052 1.00 25.00 C ATOM 889 CG GLN A 64 14.301 20.544 0.472 1.00 25.00 C ATOM 890 CD GLN A 64 13.738 21.848 0.041 1.00 25.00 C ATOM 891 OE1 GLN A 64 14.541 22.792 -0.214 1.00 25.00 O ATOM 892 NE2 GLN A 64 12.450 21.927 -0.126 1.00 25.00 N ATOM 0 H GLN A 64 16.269 19.815 2.330 1.00 25.00 H new ATOM 0 HA GLN A 64 15.962 18.148 -0.081 1.00 25.00 H new ATOM 0 HB2 GLN A 64 16.357 21.160 0.538 1.00 25.00 H new ATOM 0 HB3 GLN A 64 15.842 20.549 -1.022 1.00 25.00 H new ATOM 0 HG2 GLN A 64 13.709 19.735 0.043 1.00 25.00 H new ATOM 0 HG3 GLN A 64 14.222 20.457 1.556 1.00 25.00 H new ATOM 0 HE21 GLN A 64 11.857 21.128 0.099 1.00 25.00 H new ATOM 0 HE22 GLN A 64 12.034 22.787 -0.482 1.00 25.00 H new ATOM 901 N GLN A 65 18.812 18.744 0.667 1.00 25.00 N ATOM 902 CA GLN A 65 20.206 18.452 0.232 1.00 25.00 C ATOM 903 C GLN A 65 20.616 17.183 0.985 1.00 25.00 C ATOM 904 O GLN A 65 21.714 17.025 1.521 1.00 25.00 O ATOM 905 CB GLN A 65 21.085 19.647 0.500 1.00 25.00 C ATOM 906 CG GLN A 65 21.039 20.204 1.949 1.00 25.00 C ATOM 907 CD GLN A 65 22.064 21.345 2.068 1.00 25.00 C ATOM 908 OE1 GLN A 65 23.223 21.088 2.320 1.00 25.00 O ATOM 909 NE2 GLN A 65 21.650 22.561 1.845 1.00 25.00 N ATOM 0 H GLN A 65 18.665 18.618 1.668 1.00 25.00 H new ATOM 0 HA GLN A 65 20.301 18.274 -0.839 1.00 25.00 H new ATOM 0 HB2 GLN A 65 22.115 19.377 0.266 1.00 25.00 H new ATOM 0 HB3 GLN A 65 20.801 20.445 -0.186 1.00 25.00 H new ATOM 0 HG2 GLN A 65 20.039 20.568 2.183 1.00 25.00 H new ATOM 0 HG3 GLN A 65 21.267 19.415 2.665 1.00 25.00 H new ATOM 0 HE21 GLN A 65 20.667 22.735 1.636 1.00 25.00 H new ATOM 0 HE22 GLN A 65 22.309 23.339 1.879 1.00 25.00 H new ATOM 918 N SER A 66 19.718 16.235 0.878 1.00 25.00 N ATOM 919 CA SER A 66 19.776 15.000 1.664 1.00 25.00 C ATOM 920 C SER A 66 18.934 14.093 0.795 1.00 25.00 C ATOM 921 O SER A 66 18.493 14.523 -0.305 1.00 25.00 O ATOM 922 CB SER A 66 19.148 15.148 3.084 1.00 25.00 C ATOM 923 OG SER A 66 19.422 13.894 3.691 1.00 25.00 O ATOM 0 H SER A 66 18.919 16.286 0.245 1.00 25.00 H new ATOM 0 HA SER A 66 20.790 14.657 1.868 1.00 25.00 H new ATOM 0 HB2 SER A 66 19.597 15.971 3.639 1.00 25.00 H new ATOM 0 HB3 SER A 66 18.077 15.345 3.032 1.00 25.00 H new ATOM 0 HG SER A 66 19.063 13.887 4.603 1.00 25.00 H new ATOM 929 N GLU A 67 18.737 12.828 1.153 1.00 25.00 N ATOM 930 CA GLU A 67 17.914 11.864 0.381 1.00 25.00 C ATOM 931 C GLU A 67 16.503 12.325 -0.095 1.00 25.00 C ATOM 932 O GLU A 67 16.129 11.975 -1.214 1.00 25.00 O ATOM 933 CB GLU A 67 17.745 10.545 1.213 1.00 25.00 C ATOM 934 CG GLU A 67 17.121 9.316 0.571 1.00 25.00 C ATOM 935 CD GLU A 67 18.154 8.433 -0.204 1.00 25.00 C ATOM 936 OE1 GLU A 67 18.889 8.856 -1.119 1.00 25.00 O ATOM 937 OE2 GLU A 67 18.254 7.268 0.176 1.00 25.00 O1- ATOM 0 H GLU A 67 19.144 12.425 1.997 1.00 25.00 H new ATOM 0 HA GLU A 67 18.481 11.735 -0.541 1.00 25.00 H new ATOM 0 HB2 GLU A 67 18.734 10.258 1.570 1.00 25.00 H new ATOM 0 HB3 GLU A 67 17.148 10.790 2.092 1.00 25.00 H new ATOM 0 HG2 GLU A 67 16.645 8.713 1.344 1.00 25.00 H new ATOM 0 HG3 GLU A 67 16.336 9.632 -0.116 1.00 25.00 H new ATOM 944 N ASN A 68 15.781 13.178 0.615 1.00 25.00 N ATOM 945 CA ASN A 68 14.452 13.649 0.244 1.00 25.00 C ATOM 946 C ASN A 68 14.628 14.938 -0.547 1.00 25.00 C ATOM 947 O ASN A 68 13.676 15.753 -0.566 1.00 25.00 O ATOM 948 CB ASN A 68 13.593 13.804 1.494 1.00 25.00 C ATOM 949 CG ASN A 68 13.359 12.490 2.177 1.00 25.00 C ATOM 950 OD1 ASN A 68 13.505 11.422 1.594 1.00 25.00 O ATOM 951 ND2 ASN A 68 13.069 12.538 3.406 1.00 25.00 N ATOM 0 H ASN A 68 16.113 13.575 1.494 1.00 25.00 H new ATOM 0 HA ASN A 68 13.923 12.936 -0.389 1.00 25.00 H new ATOM 0 HB2 ASN A 68 14.079 14.491 2.186 1.00 25.00 H new ATOM 0 HB3 ASN A 68 12.635 14.248 1.224 1.00 25.00 H new ATOM 0 HD21 ASN A 68 12.951 11.675 3.936 1.00 25.00 H new ATOM 0 HD22 ASN A 68 12.953 13.440 3.868 1.00 25.00 H new ATOM 958 N ARG A 69 15.739 15.118 -1.271 1.00 25.00 N ATOM 959 CA ARG A 69 15.768 15.984 -2.458 1.00 25.00 C ATOM 960 C ARG A 69 15.260 15.176 -3.629 1.00 25.00 C ATOM 961 O ARG A 69 15.972 14.686 -4.468 1.00 25.00 O ATOM 962 CB ARG A 69 17.200 16.346 -2.790 1.00 25.00 C ATOM 963 CG ARG A 69 17.319 17.467 -3.862 1.00 25.00 C ATOM 964 CD ARG A 69 18.763 17.716 -4.157 1.00 25.00 C ATOM 965 NE ARG A 69 18.820 18.626 -5.271 1.00 25.00 N ATOM 966 CZ ARG A 69 19.800 18.935 -6.058 1.00 25.00 C ATOM 967 NH1 ARG A 69 19.639 19.834 -6.969 1.00 25.00 N1+ ATOM 968 NH2 ARG A 69 20.906 18.230 -6.022 1.00 25.00 N ATOM 0 H ARG A 69 16.632 14.675 -1.056 1.00 25.00 H new ATOM 0 HA ARG A 69 15.173 16.877 -2.269 1.00 25.00 H new ATOM 0 HB2 ARG A 69 17.706 16.668 -1.880 1.00 25.00 H new ATOM 0 HB3 ARG A 69 17.719 15.456 -3.146 1.00 25.00 H new ATOM 0 HG2 ARG A 69 16.795 17.173 -4.772 1.00 25.00 H new ATOM 0 HG3 ARG A 69 16.846 18.381 -3.503 1.00 25.00 H new ATOM 0 HD2 ARG A 69 19.265 18.140 -3.288 1.00 25.00 H new ATOM 0 HD3 ARG A 69 19.273 16.783 -4.396 1.00 25.00 H new ATOM 0 HE ARG A 69 17.943 19.107 -5.474 1.00 25.00 H new ATOM 0 HH11 ARG A 69 18.739 20.302 -7.070 1.00 25.00 H new ATOM 0 HH12 ARG A 69 20.412 20.077 -7.588 1.00 25.00 H new ATOM 0 HH21 ARG A 69 20.989 17.444 -5.377 1.00 25.00 H new ATOM 0 HH22 ARG A 69 21.683 18.468 -6.639 1.00 25.00 H new ATOM 982 N TRP A 70 13.953 15.097 -3.617 1.00 25.00 N ATOM 983 CA TRP A 70 13.182 14.460 -4.665 1.00 25.00 C ATOM 984 C TRP A 70 13.452 15.053 -6.037 1.00 25.00 C ATOM 985 O TRP A 70 13.893 16.258 -6.167 1.00 25.00 O ATOM 986 CB TRP A 70 11.694 14.612 -4.333 1.00 25.00 C ATOM 987 CG TRP A 70 11.207 13.742 -3.248 1.00 25.00 C ATOM 988 CD1 TRP A 70 11.419 13.927 -1.902 1.00 25.00 C ATOM 989 CD2 TRP A 70 10.364 12.571 -3.364 1.00 25.00 C ATOM 990 NE1 TRP A 70 10.649 12.996 -1.171 1.00 25.00 N ATOM 991 CE2 TRP A 70 9.980 12.200 -2.033 1.00 25.00 C ATOM 992 CE3 TRP A 70 9.870 11.837 -4.469 1.00 25.00 C ATOM 993 CZ2 TRP A 70 9.160 11.068 -1.795 1.00 25.00 C ATOM 994 CZ3 TRP A 70 9.094 10.678 -4.207 1.00 25.00 C ATOM 995 CH2 TRP A 70 8.718 10.351 -2.867 1.00 25.00 C ATOM 0 H TRP A 70 13.380 15.480 -2.865 1.00 25.00 H new ATOM 0 HA TRP A 70 13.477 13.411 -4.707 1.00 25.00 H new ATOM 0 HB2 TRP A 70 11.502 15.650 -4.060 1.00 25.00 H new ATOM 0 HB3 TRP A 70 11.113 14.406 -5.232 1.00 25.00 H new ATOM 0 HD1 TRP A 70 12.074 14.670 -1.470 1.00 25.00 H new ATOM 0 HE1 TRP A 70 10.605 12.934 -0.154 1.00 25.00 H new ATOM 0 HE3 TRP A 70 10.078 12.150 -5.482 1.00 25.00 H new ATOM 0 HZ2 TRP A 70 8.892 10.781 -0.789 1.00 25.00 H new ATOM 0 HZ3 TRP A 70 8.786 10.041 -5.023 1.00 25.00 H new ATOM 0 HH2 TRP A 70 8.063 9.509 -2.699 1.00 25.00 H new ATOM 1006 N PHE A 71 13.133 14.251 -7.028 1.00 25.00 N ATOM 1007 CA PHE A 71 13.403 14.665 -8.404 1.00 25.00 C ATOM 1008 C PHE A 71 12.530 15.841 -8.694 1.00 25.00 C ATOM 1009 O PHE A 71 11.395 15.965 -8.154 1.00 25.00 O ATOM 1010 CB PHE A 71 13.215 13.552 -9.479 1.00 25.00 C ATOM 1011 CG PHE A 71 11.777 12.978 -9.502 1.00 25.00 C ATOM 1012 CD1 PHE A 71 11.439 11.864 -8.733 1.00 50.00 C ATOM 1013 CD2 PHE A 71 10.775 13.598 -10.290 1.00 50.00 C ATOM 1014 CE1 PHE A 71 10.101 11.391 -8.728 1.00 25.00 C ATOM 1015 CE2 PHE A 71 9.511 13.065 -10.382 1.00 25.00 C ATOM 1016 CZ PHE A 71 9.164 11.978 -9.602 1.00 25.00 C ATOM 0 H PHE A 71 12.699 13.334 -6.923 1.00 25.00 H new ATOM 0 HA PHE A 71 14.462 14.914 -8.472 1.00 25.00 H new ATOM 0 HB2 PHE A 71 13.455 13.958 -10.462 1.00 25.00 H new ATOM 0 HB3 PHE A 71 13.921 12.744 -9.287 1.00 25.00 H new ATOM 0 HD1 PHE A 71 12.193 11.363 -8.144 1.00 50.00 H new ATOM 0 HD2 PHE A 71 11.009 14.505 -10.828 1.00 50.00 H new ATOM 0 HE1 PHE A 71 9.805 10.592 -8.064 1.00 25.00 H new ATOM 0 HE2 PHE A 71 8.791 13.495 -11.062 1.00 25.00 H new ATOM 0 HZ PHE A 71 8.164 11.574 -9.663 1.00 25.00 H new ATOM 1026 N LYS A 72 12.963 16.615 -9.695 1.00 25.00 N ATOM 1027 CA LYS A 72 12.220 17.812 -10.266 1.00 25.00 C ATOM 1028 C LYS A 72 11.719 17.444 -11.621 1.00 25.00 C ATOM 1029 O LYS A 72 12.264 16.595 -12.352 1.00 25.00 O ATOM 1030 CB LYS A 72 13.118 19.059 -10.356 1.00 25.00 C ATOM 1031 CG LYS A 72 13.620 19.535 -8.997 1.00 25.00 C ATOM 1032 CD LYS A 72 14.254 20.830 -9.155 1.00 25.00 C ATOM 1033 CE LYS A 72 13.195 21.937 -9.326 1.00 25.00 C ATOM 1034 NZ LYS A 72 13.932 23.210 -9.573 1.00 25.00 N1+ ATOM 0 H LYS A 72 13.855 16.448 -10.161 1.00 25.00 H new ATOM 0 HA LYS A 72 11.393 18.064 -9.601 1.00 25.00 H new ATOM 0 HB2 LYS A 72 13.973 18.838 -10.995 1.00 25.00 H new ATOM 0 HB3 LYS A 72 12.562 19.866 -10.834 1.00 25.00 H new ATOM 0 HG2 LYS A 72 12.791 19.605 -8.293 1.00 25.00 H new ATOM 0 HG3 LYS A 72 14.329 18.817 -8.585 1.00 25.00 H new ATOM 0 HD2 LYS A 72 14.875 21.045 -8.285 1.00 25.00 H new ATOM 0 HD3 LYS A 72 14.914 20.814 -10.022 1.00 25.00 H new ATOM 0 HE2 LYS A 72 12.529 21.709 -10.158 1.00 25.00 H new ATOM 0 HE3 LYS A 72 12.574 22.018 -8.434 1.00 25.00 H new ATOM 0 HZ1 LYS A 72 13.252 23.987 -9.695 1.00 25.00 H new ATOM 0 HZ2 LYS A 72 14.551 23.416 -8.763 1.00 25.00 H new ATOM 0 HZ3 LYS A 72 14.508 23.116 -10.434 1.00 25.00 H new ATOM 1048 N HIS A 73 10.533 17.981 -11.917 1.00 25.00 N ATOM 1049 CA HIS A 73 10.078 18.034 -13.315 1.00 25.00 C ATOM 1050 C HIS A 73 9.392 19.366 -13.582 1.00 25.00 C ATOM 1051 O HIS A 73 8.896 19.979 -12.633 1.00 25.00 O ATOM 1052 CB HIS A 73 9.323 16.739 -13.657 1.00 25.00 C ATOM 1053 CG HIS A 73 9.313 16.402 -15.121 1.00 25.00 C ATOM 1054 ND1 HIS A 73 10.333 15.618 -15.666 1.00 25.00 N ATOM 1055 CD2 HIS A 73 8.443 16.610 -16.137 1.00 25.00 C ATOM 1056 CE1 HIS A 73 10.069 15.416 -16.948 1.00 25.00 C ATOM 1057 NE2 HIS A 73 8.935 15.987 -17.251 1.00 25.00 N ATOM 0 H HIS A 73 9.885 18.375 -11.234 1.00 25.00 H new ATOM 0 HA HIS A 73 10.899 18.038 -14.032 1.00 25.00 H new ATOM 0 HB2 HIS A 73 9.774 15.912 -13.108 1.00 25.00 H new ATOM 0 HB3 HIS A 73 8.294 16.829 -13.309 1.00 25.00 H new ATOM 0 HD2 HIS A 73 7.521 17.170 -16.078 1.00 25.00 H new ATOM 0 HE1 HIS A 73 10.694 14.865 -17.635 1.00 25.00 H new ATOM 0 HE2 HIS A 73 8.489 15.971 -18.168 1.00 25.00 H new ATOM 1065 N ILE A 74 9.375 19.901 -14.843 1.00 25.00 N ATOM 1066 CA ILE A 74 8.694 21.189 -15.205 1.00 25.00 C ATOM 1067 C ILE A 74 7.210 20.876 -15.509 1.00 25.00 C ATOM 1068 O ILE A 74 6.913 19.897 -16.207 1.00 25.00 O ATOM 1069 CB ILE A 74 9.356 21.894 -16.413 1.00 25.00 C ATOM 1070 CG1 ILE A 74 10.850 22.109 -15.995 1.00 25.00 C ATOM 1071 CG2 ILE A 74 8.631 23.216 -16.729 1.00 25.00 C ATOM 1072 CD1 ILE A 74 11.785 22.737 -17.042 1.00 25.00 C ATOM 0 H ILE A 74 9.832 19.452 -15.637 1.00 25.00 H new ATOM 0 HA ILE A 74 8.783 21.879 -14.366 1.00 25.00 H new ATOM 0 HB ILE A 74 9.296 21.307 -17.329 1.00 25.00 H new ATOM 0 HG12 ILE A 74 10.866 22.739 -15.106 1.00 25.00 H new ATOM 0 HG13 ILE A 74 11.264 21.142 -15.708 1.00 25.00 H new ATOM 0 HG21 ILE A 74 9.110 23.699 -17.581 1.00 25.00 H new ATOM 0 HG22 ILE A 74 7.587 23.011 -16.967 1.00 25.00 H new ATOM 0 HG23 ILE A 74 8.682 23.875 -15.863 1.00 25.00 H new ATOM 0 HD11 ILE A 74 12.788 22.830 -16.625 1.00 25.00 H new ATOM 0 HD12 ILE A 74 11.818 22.103 -17.928 1.00 25.00 H new ATOM 0 HD13 ILE A 74 11.413 23.724 -17.316 1.00 25.00 H new ATOM 1084 N MET A 75 6.324 21.700 -15.007 1.00 25.00 N ATOM 1085 CA MET A 75 4.914 21.589 -15.408 1.00 25.00 C ATOM 1086 C MET A 75 4.406 23.022 -15.634 1.00 25.00 C ATOM 1087 O MET A 75 4.792 23.971 -14.937 1.00 25.00 O ATOM 1088 CB MET A 75 4.121 20.881 -14.259 1.00 25.00 C ATOM 1089 CG MET A 75 2.962 20.031 -14.805 1.00 25.00 C ATOM 1090 SD MET A 75 1.765 19.529 -13.554 1.00 25.00 S ATOM 1091 CE MET A 75 1.380 17.896 -14.201 1.00 25.00 C ATOM 0 H MET A 75 6.530 22.441 -14.337 1.00 25.00 H new ATOM 0 HA MET A 75 4.785 21.002 -16.317 1.00 25.00 H new ATOM 0 HB2 MET A 75 4.798 20.247 -13.687 1.00 25.00 H new ATOM 0 HB3 MET A 75 3.729 21.631 -13.572 1.00 25.00 H new ATOM 0 HG2 MET A 75 2.445 20.596 -15.581 1.00 25.00 H new ATOM 0 HG3 MET A 75 3.372 19.139 -15.279 1.00 25.00 H new ATOM 0 HE1 MET A 75 0.619 17.428 -13.577 1.00 25.00 H new ATOM 0 HE2 MET A 75 1.007 17.987 -15.221 1.00 25.00 H new ATOM 0 HE3 MET A 75 2.280 17.282 -14.197 1.00 25.00 H new ATOM 1101 N THR A 76 3.534 23.216 -16.594 1.00 25.00 N ATOM 1102 CA THR A 76 2.906 24.499 -16.866 1.00 25.00 C ATOM 1103 C THR A 76 1.784 24.809 -15.943 1.00 25.00 C ATOM 1104 O THR A 76 1.459 23.933 -15.126 1.00 25.00 O ATOM 1105 CB THR A 76 2.218 24.316 -18.260 1.00 25.00 C ATOM 1106 OG1 THR A 76 1.523 23.062 -18.294 1.00 25.00 O ATOM 1107 CG2 THR A 76 3.246 24.204 -19.419 1.00 25.00 C ATOM 0 H THR A 76 3.231 22.474 -17.225 1.00 25.00 H new ATOM 0 HA THR A 76 3.661 25.281 -16.785 1.00 25.00 H new ATOM 0 HB THR A 76 1.572 25.185 -18.386 1.00 25.00 H new ATOM 0 HG1 THR A 76 1.092 22.951 -19.167 1.00 25.00 H new ATOM 0 HG21 THR A 76 2.717 24.078 -20.364 1.00 25.00 H new ATOM 0 HG22 THR A 76 3.850 25.111 -19.459 1.00 25.00 H new ATOM 0 HG23 THR A 76 3.894 23.344 -19.249 1.00 25.00 H new ATOM 1115 N GLY A 77 1.233 25.981 -16.007 1.00 25.00 N ATOM 1116 CA GLY A 77 -0.023 26.232 -15.259 1.00 25.00 C ATOM 1117 C GLY A 77 -1.200 25.561 -15.907 1.00 25.00 C ATOM 1118 O GLY A 77 -1.046 24.698 -16.753 1.00 25.00 O ATOM 0 H GLY A 77 1.594 26.772 -16.540 1.00 25.00 H new ATOM 0 HA2 GLY A 77 0.084 25.870 -14.236 1.00 25.00 H new ATOM 0 HA3 GLY A 77 -0.203 27.305 -15.200 1.00 25.00 H new ATOM 1122 N GLY A 78 -2.429 25.937 -15.570 1.00 25.00 N ATOM 1123 CA GLY A 78 -3.639 25.332 -16.184 1.00 25.00 C ATOM 1124 C GLY A 78 -4.169 24.138 -15.403 1.00 25.00 C ATOM 1125 O GLY A 78 -3.687 23.785 -14.349 1.00 25.00 O ATOM 0 H GLY A 78 -2.629 26.657 -14.876 1.00 25.00 H new ATOM 0 HA2 GLY A 78 -4.421 26.089 -16.255 1.00 25.00 H new ATOM 0 HA3 GLY A 78 -3.405 25.019 -17.202 1.00 25.00 H new ATOM 1129 N GLU A 79 -5.142 23.453 -15.945 1.00 25.00 N ATOM 1130 CA GLU A 79 -5.520 22.200 -15.372 1.00 25.00 C ATOM 1131 C GLU A 79 -4.632 20.992 -15.663 1.00 25.00 C ATOM 1132 O GLU A 79 -4.216 20.853 -16.807 1.00 25.00 O ATOM 1133 CB GLU A 79 -6.866 21.887 -15.925 1.00 25.00 C ATOM 1134 CG GLU A 79 -7.894 21.255 -14.900 1.00 25.00 C ATOM 1135 CD GLU A 79 -9.257 20.995 -15.630 1.00 25.00 C ATOM 1136 OE1 GLU A 79 -10.018 21.929 -15.927 1.00 25.00 O ATOM 1137 OE2 GLU A 79 -9.577 19.831 -15.903 1.00 25.00 O1- ATOM 0 H GLU A 79 -5.675 23.739 -16.767 1.00 25.00 H new ATOM 0 HA GLU A 79 -5.455 22.339 -14.293 1.00 25.00 H new ATOM 0 HB2 GLU A 79 -7.297 22.804 -16.326 1.00 25.00 H new ATOM 0 HB3 GLU A 79 -6.745 21.199 -16.762 1.00 25.00 H new ATOM 0 HG2 GLU A 79 -7.499 20.322 -14.499 1.00 25.00 H new ATOM 0 HG3 GLU A 79 -8.043 21.927 -14.055 1.00 25.00 H new ATOM 1144 N HIS A 80 -4.400 20.084 -14.752 1.00 25.00 N ATOM 1145 CA HIS A 80 -3.716 18.772 -15.022 1.00 25.00 C ATOM 1146 C HIS A 80 -4.515 17.709 -14.226 1.00 25.00 C ATOM 1147 O HIS A 80 -5.256 18.009 -13.334 1.00 25.00 O ATOM 1148 CB HIS A 80 -2.313 18.894 -14.416 1.00 25.00 C ATOM 1149 CG HIS A 80 -1.496 19.992 -14.983 1.00 25.00 C ATOM 1150 ND1 HIS A 80 -0.733 19.849 -16.130 1.00 25.00 N ATOM 1151 CD2 HIS A 80 -1.299 21.241 -14.527 1.00 25.00 C ATOM 1152 CE1 HIS A 80 -0.109 20.964 -16.306 1.00 25.00 C ATOM 1153 NE2 HIS A 80 -0.446 21.821 -15.368 1.00 25.00 N ATOM 0 H HIS A 80 -4.671 20.202 -13.776 1.00 25.00 H new ATOM 0 HA HIS A 80 -3.662 18.514 -16.080 1.00 25.00 H new ATOM 0 HB2 HIS A 80 -2.407 19.045 -13.341 1.00 25.00 H new ATOM 0 HB3 HIS A 80 -1.784 17.952 -14.561 1.00 25.00 H new ATOM 0 HD2 HIS A 80 -1.745 21.686 -13.650 1.00 25.00 H new ATOM 0 HE1 HIS A 80 0.588 21.164 -17.106 1.00 25.00 H new ATOM 0 HE2 HIS A 80 -0.107 22.780 -15.296 1.00 25.00 H new ATOM 1161 N THR A 81 -4.256 16.454 -14.558 1.00 25.00 N ATOM 1162 CA THR A 81 -4.883 15.329 -13.872 1.00 25.00 C ATOM 1163 C THR A 81 -3.740 14.534 -13.236 1.00 25.00 C ATOM 1164 O THR A 81 -2.836 14.133 -13.951 1.00 25.00 O ATOM 1165 CB THR A 81 -5.798 14.532 -14.895 1.00 25.00 C ATOM 1166 OG1 THR A 81 -6.656 15.425 -15.550 1.00 25.00 O ATOM 1167 CG2 THR A 81 -6.641 13.511 -14.255 1.00 25.00 C ATOM 0 H THR A 81 -3.612 16.185 -15.302 1.00 25.00 H new ATOM 0 HA THR A 81 -5.568 15.615 -13.074 1.00 25.00 H new ATOM 0 HB THR A 81 -5.115 14.032 -15.582 1.00 25.00 H new ATOM 0 HG1 THR A 81 -7.220 14.933 -16.182 1.00 25.00 H new ATOM 0 HG21 THR A 81 -7.239 13.006 -15.013 1.00 25.00 H new ATOM 0 HG22 THR A 81 -6.008 12.783 -13.747 1.00 25.00 H new ATOM 0 HG23 THR A 81 -7.301 13.987 -13.529 1.00 25.00 H new ATOM 1175 N PHE A 82 -3.793 14.413 -11.920 1.00 25.00 N ATOM 1176 CA PHE A 82 -2.724 13.725 -11.177 1.00 25.00 C ATOM 1177 C PHE A 82 -3.397 12.480 -10.554 1.00 25.00 C ATOM 1178 O PHE A 82 -4.500 12.507 -10.165 1.00 25.00 O ATOM 1179 CB PHE A 82 -2.295 14.576 -9.997 1.00 25.00 C ATOM 1180 CG PHE A 82 -1.568 15.814 -10.381 1.00 25.00 C ATOM 1181 CD1 PHE A 82 -0.177 15.782 -10.392 1.00 50.00 C ATOM 1182 CD2 PHE A 82 -2.203 17.036 -10.632 1.00 50.00 C ATOM 1183 CE1 PHE A 82 0.639 16.966 -10.463 1.00 25.00 C ATOM 1184 CE2 PHE A 82 -1.451 18.234 -10.758 1.00 25.00 C ATOM 1185 CZ PHE A 82 0.020 18.200 -10.667 1.00 25.00 C ATOM 0 H PHE A 82 -4.551 14.774 -11.340 1.00 25.00 H new ATOM 0 HA PHE A 82 -1.877 13.510 -11.829 1.00 25.00 H new ATOM 0 HB2 PHE A 82 -3.178 14.849 -9.418 1.00 25.00 H new ATOM 0 HB3 PHE A 82 -1.658 13.980 -9.344 1.00 25.00 H new ATOM 0 HD1 PHE A 82 0.315 14.822 -10.345 1.00 50.00 H new ATOM 0 HD2 PHE A 82 -3.278 17.068 -10.731 1.00 50.00 H new ATOM 0 HE1 PHE A 82 1.712 16.900 -10.360 1.00 25.00 H new ATOM 0 HE2 PHE A 82 -1.958 19.173 -10.921 1.00 25.00 H new ATOM 0 HZ PHE A 82 0.603 19.105 -10.756 1.00 25.00 H new ATOM 1195 N THR A 83 -2.674 11.379 -10.536 1.00 25.00 N ATOM 1196 CA THR A 83 -3.213 10.051 -10.064 1.00 25.00 C ATOM 1197 C THR A 83 -2.242 9.276 -9.169 1.00 25.00 C ATOM 1198 O THR A 83 -1.096 9.159 -9.590 1.00 25.00 O ATOM 1199 CB THR A 83 -3.661 9.142 -11.239 1.00 25.00 C ATOM 1200 OG1 THR A 83 -4.435 9.954 -12.133 1.00 25.00 O ATOM 1201 CG2 THR A 83 -4.452 7.965 -10.841 1.00 25.00 C ATOM 0 H THR A 83 -1.701 11.344 -10.839 1.00 25.00 H new ATOM 0 HA THR A 83 -4.083 10.313 -9.463 1.00 25.00 H new ATOM 0 HB THR A 83 -2.760 8.739 -11.701 1.00 25.00 H new ATOM 0 HG1 THR A 83 -4.735 9.411 -12.891 1.00 25.00 H new ATOM 0 HG21 THR A 83 -4.720 7.390 -11.727 1.00 25.00 H new ATOM 0 HG22 THR A 83 -3.863 7.342 -10.168 1.00 25.00 H new ATOM 0 HG23 THR A 83 -5.359 8.291 -10.333 1.00 25.00 H new ATOM 1209 N TRP A 84 -2.643 8.603 -8.111 1.00 25.00 N ATOM 1210 CA TRP A 84 -1.734 7.801 -7.243 1.00 25.00 C ATOM 1211 C TRP A 84 -2.271 6.410 -7.099 1.00 25.00 C ATOM 1212 O TRP A 84 -3.509 6.253 -7.090 1.00 25.00 O ATOM 1213 CB TRP A 84 -1.595 8.394 -5.858 1.00 25.00 C ATOM 1214 CG TRP A 84 -1.283 9.876 -5.903 1.00 25.00 C ATOM 1215 CD1 TRP A 84 -0.526 10.541 -6.845 1.00 25.00 C ATOM 1216 CD2 TRP A 84 -1.761 10.910 -5.009 1.00 25.00 C ATOM 1217 NE1 TRP A 84 -0.422 11.840 -6.544 1.00 25.00 N ATOM 1218 CE2 TRP A 84 -1.101 12.109 -5.394 1.00 25.00 C ATOM 1219 CE3 TRP A 84 -2.606 10.931 -3.855 1.00 25.00 C ATOM 1220 CZ2 TRP A 84 -1.176 13.298 -4.626 1.00 25.00 C ATOM 1221 CZ3 TRP A 84 -2.757 12.167 -3.149 1.00 25.00 C ATOM 1222 CH2 TRP A 84 -1.993 13.279 -3.528 1.00 25.00 C ATOM 0 H TRP A 84 -3.616 8.582 -7.806 1.00 25.00 H new ATOM 0 HA TRP A 84 -0.755 7.800 -7.723 1.00 25.00 H new ATOM 0 HB2 TRP A 84 -2.518 8.235 -5.301 1.00 25.00 H new ATOM 0 HB3 TRP A 84 -0.804 7.873 -5.319 1.00 25.00 H new ATOM 0 HD1 TRP A 84 -0.077 10.075 -7.710 1.00 25.00 H new ATOM 0 HE1 TRP A 84 0.091 12.529 -7.095 1.00 25.00 H new ATOM 0 HE3 TRP A 84 -3.116 10.038 -3.525 1.00 25.00 H new ATOM 0 HZ2 TRP A 84 -0.613 14.180 -4.895 1.00 25.00 H new ATOM 0 HZ3 TRP A 84 -3.456 12.242 -2.329 1.00 25.00 H new ATOM 0 HH2 TRP A 84 -2.052 14.170 -2.920 1.00 25.00 H new ATOM 1233 N THR A 85 -1.457 5.384 -7.046 1.00 25.00 N ATOM 1234 CA THR A 85 -1.934 4.014 -7.108 1.00 25.00 C ATOM 1235 C THR A 85 -0.979 3.130 -6.288 1.00 25.00 C ATOM 1236 O THR A 85 0.260 3.242 -6.197 1.00 25.00 O ATOM 1237 CB THR A 85 -2.055 3.487 -8.539 1.00 25.00 C ATOM 1238 OG1 THR A 85 -2.751 2.233 -8.476 1.00 25.00 O ATOM 1239 CG2 THR A 85 -0.807 3.347 -9.258 1.00 25.00 C ATOM 0 H THR A 85 -0.444 5.470 -6.959 1.00 25.00 H new ATOM 0 HA THR A 85 -2.941 3.986 -6.692 1.00 25.00 H new ATOM 0 HB THR A 85 -2.600 4.234 -9.115 1.00 25.00 H new ATOM 0 HG1 THR A 85 -2.848 1.867 -9.380 1.00 25.00 H new ATOM 0 HG21 THR A 85 -1.005 2.967 -10.260 1.00 25.00 H new ATOM 0 HG22 THR A 85 -0.317 4.318 -9.328 1.00 25.00 H new ATOM 0 HG23 THR A 85 -0.158 2.650 -8.728 1.00 25.00 H new ATOM 1247 N TYR A 86 -1.622 2.155 -5.667 1.00 25.00 N ATOM 1248 CA TYR A 86 -0.931 1.143 -4.894 1.00 25.00 C ATOM 1249 C TYR A 86 -1.571 -0.259 -5.037 1.00 25.00 C ATOM 1250 O TYR A 86 -2.797 -0.318 -5.313 1.00 25.00 O ATOM 1251 CB TYR A 86 -0.837 1.538 -3.442 1.00 25.00 C ATOM 1252 CG TYR A 86 -0.106 0.639 -2.498 1.00 25.00 C ATOM 1253 CD1 TYR A 86 -0.708 0.021 -1.329 1.00 50.00 C ATOM 1254 CD2 TYR A 86 1.301 0.318 -2.679 1.00 50.00 C ATOM 1255 CE1 TYR A 86 -0.015 -0.955 -0.501 1.00 25.00 C ATOM 1256 CE2 TYR A 86 1.994 -0.688 -1.819 1.00 25.00 C ATOM 1257 CZ TYR A 86 1.295 -1.287 -0.749 1.00 25.00 C ATOM 1258 OH TYR A 86 1.785 -2.173 0.156 1.00 25.00 O ATOM 0 H TYR A 86 -2.636 2.045 -5.686 1.00 25.00 H new ATOM 0 HA TYR A 86 0.077 1.076 -5.304 1.00 25.00 H new ATOM 0 HB2 TYR A 86 -0.364 2.519 -3.397 1.00 25.00 H new ATOM 0 HB3 TYR A 86 -1.853 1.656 -3.065 1.00 25.00 H new ATOM 0 HD1 TYR A 86 -1.717 0.299 -1.062 1.00 50.00 H new ATOM 0 HD2 TYR A 86 1.859 0.820 -3.455 1.00 50.00 H new ATOM 0 HE1 TYR A 86 -0.537 -1.425 0.319 1.00 25.00 H new ATOM 0 HE2 TYR A 86 3.022 -0.955 -2.015 1.00 25.00 H new ATOM 0 HH TYR A 86 2.718 -2.380 -0.061 1.00 25.00 H new ATOM 1268 N THR A 87 -0.762 -1.299 -4.881 1.00 25.00 N ATOM 1269 CA THR A 87 -1.210 -2.595 -5.222 1.00 25.00 C ATOM 1270 C THR A 87 -2.194 -3.167 -4.246 1.00 25.00 C ATOM 1271 O THR A 87 -2.806 -4.194 -4.555 1.00 25.00 O ATOM 1272 CB THR A 87 -0.088 -3.593 -5.541 1.00 25.00 C ATOM 1273 OG1 THR A 87 -0.568 -4.801 -6.145 1.00 25.00 O ATOM 1274 CG2 THR A 87 0.689 -3.975 -4.354 1.00 25.00 C ATOM 0 H THR A 87 0.192 -1.248 -4.523 1.00 25.00 H new ATOM 0 HA THR A 87 -1.746 -2.438 -6.158 1.00 25.00 H new ATOM 0 HB THR A 87 0.548 -3.057 -6.245 1.00 25.00 H new ATOM 0 HG1 THR A 87 -1.449 -5.023 -5.778 1.00 25.00 H new ATOM 0 HG21 THR A 87 1.468 -4.682 -4.641 1.00 25.00 H new ATOM 0 HG22 THR A 87 1.147 -3.087 -3.918 1.00 25.00 H new ATOM 0 HG23 THR A 87 0.029 -4.440 -3.621 1.00 25.00 H new ATOM 1282 N ALA A 88 -2.485 -2.626 -3.094 1.00 25.00 N ATOM 1283 CA ALA A 88 -3.492 -3.243 -2.178 1.00 25.00 C ATOM 1284 C ALA A 88 -4.280 -2.069 -1.667 1.00 25.00 C ATOM 1285 O ALA A 88 -3.661 -1.018 -1.611 1.00 25.00 O ATOM 1286 CB ALA A 88 -2.821 -4.051 -1.099 1.00 25.00 C ATOM 0 H ALA A 88 -2.061 -1.768 -2.742 1.00 25.00 H new ATOM 0 HA ALA A 88 -4.146 -3.965 -2.666 1.00 25.00 H new ATOM 0 HB1 ALA A 88 -3.578 -4.488 -0.448 1.00 25.00 H new ATOM 0 HB2 ALA A 88 -2.231 -4.846 -1.554 1.00 25.00 H new ATOM 0 HB3 ALA A 88 -2.168 -3.404 -0.513 1.00 25.00 H new ATOM 1292 N PRO A 89 -5.471 -2.263 -1.166 1.00 25.00 N ATOM 1293 CA PRO A 89 -5.959 -1.078 -0.446 1.00 25.00 C ATOM 1294 C PRO A 89 -5.224 -0.923 0.871 1.00 25.00 C ATOM 1295 O PRO A 89 -5.037 -1.925 1.556 1.00 25.00 O ATOM 1296 CB PRO A 89 -7.401 -1.417 -0.176 1.00 25.00 C ATOM 1297 CG PRO A 89 -7.719 -2.603 -1.094 1.00 25.00 C ATOM 1298 CD PRO A 89 -6.464 -3.355 -1.312 1.00 25.00 C ATOM 0 HA PRO A 89 -5.818 -0.151 -1.003 1.00 25.00 H new ATOM 0 HB2 PRO A 89 -7.554 -1.679 0.871 1.00 25.00 H new ATOM 0 HB3 PRO A 89 -8.051 -0.569 -0.391 1.00 25.00 H new ATOM 0 HG2 PRO A 89 -8.475 -3.245 -0.641 1.00 25.00 H new ATOM 0 HG3 PRO A 89 -8.125 -2.253 -2.043 1.00 25.00 H new ATOM 0 HD2 PRO A 89 -6.321 -4.147 -0.577 1.00 25.00 H new ATOM 0 HD3 PRO A 89 -6.426 -3.823 -2.296 1.00 25.00 H new ATOM 1306 N HIS A 90 -4.818 0.268 1.357 1.00 25.00 N ATOM 1307 CA HIS A 90 -4.939 1.547 0.628 1.00 25.00 C ATOM 1308 C HIS A 90 -6.363 2.146 0.509 1.00 25.00 C ATOM 1309 O HIS A 90 -6.575 3.167 -0.158 1.00 25.00 O ATOM 1310 CB HIS A 90 -4.128 2.623 1.359 1.00 0.00 C ATOM 1311 CG HIS A 90 -2.614 2.421 1.241 1.00 0.00 C ATOM 1312 ND1 HIS A 90 -1.829 1.649 2.023 1.00 0.00 N ATOM 1313 CD2 HIS A 90 -1.759 2.974 0.320 1.00 0.00 C ATOM 1314 CE1 HIS A 90 -0.598 1.744 1.606 1.00 0.00 C ATOM 1315 NE2 HIS A 90 -0.460 2.662 0.685 1.00 0.00 N ATOM 0 H HIS A 90 -4.392 0.370 2.278 1.00 25.00 H new ATOM 0 HA HIS A 90 -4.593 1.297 -0.375 1.00 25.00 H new ATOM 0 HB2 HIS A 90 -4.390 3.602 0.957 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -4.407 2.626 2.413 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -2.050 3.554 -0.543 1.00 0.00 H new ATOM 0 HE1 HIS A 90 0.213 1.136 1.978 1.00 0.00 H new ATOM 0 HE2 HIS A 90 0.406 3.058 0.319 1.00 0.00 H new ATOM 1323 N ASN A 91 -7.324 1.622 1.279 1.00 25.00 N ATOM 1324 CA ASN A 91 -8.601 2.340 1.390 1.00 25.00 C ATOM 1325 C ASN A 91 -8.473 3.694 2.084 1.00 25.00 C ATOM 1326 O ASN A 91 -8.132 3.779 3.253 1.00 25.00 O ATOM 1327 CB ASN A 91 -9.671 1.458 1.972 1.00 25.00 C ATOM 1328 CG ASN A 91 -11.008 2.099 2.089 1.00 25.00 C ATOM 1329 OD1 ASN A 91 -11.588 2.059 3.233 1.00 25.00 O flip ATOM 1330 ND2 ASN A 91 -11.507 2.665 1.141 1.00 25.00 N flip ATOM 0 H ASN A 91 -7.253 0.753 1.808 1.00 25.00 H new ATOM 0 HA ASN A 91 -8.920 2.589 0.378 1.00 25.00 H new ATOM 0 HB2 ASN A 91 -9.764 0.566 1.353 1.00 25.00 H new ATOM 0 HB3 ASN A 91 -9.353 1.128 2.961 1.00 25.00 H new ATOM 0 HD21 ASN A 91 -11.023 2.680 0.243 1.00 25.00 H new ATOM 0 HD22 ASN A 91 -12.411 3.126 1.240 1.00 25.00 H new ATOM 1337 N THR A 92 -8.747 4.768 1.369 1.00 25.00 N ATOM 1338 CA THR A 92 -8.464 6.059 1.947 1.00 25.00 C ATOM 1339 C THR A 92 -9.499 6.455 3.008 1.00 25.00 C ATOM 1340 O THR A 92 -10.621 5.968 2.949 1.00 25.00 O ATOM 1341 CB THR A 92 -8.522 7.181 0.856 1.00 25.00 C ATOM 1342 OG1 THR A 92 -8.021 8.444 1.350 1.00 25.00 O ATOM 1343 CG2 THR A 92 -9.815 7.392 0.272 1.00 25.00 C ATOM 0 H THR A 92 -9.147 4.774 0.431 1.00 25.00 H new ATOM 0 HA THR A 92 -7.472 5.972 2.390 1.00 25.00 H new ATOM 0 HB THR A 92 -7.874 6.800 0.066 1.00 25.00 H new ATOM 0 HG1 THR A 92 -7.043 8.409 1.405 1.00 25.00 H new ATOM 0 HG21 THR A 92 -9.753 8.187 -0.471 1.00 25.00 H new ATOM 0 HG22 THR A 92 -10.152 6.473 -0.207 1.00 25.00 H new ATOM 0 HG23 THR A 92 -10.524 7.676 1.050 1.00 25.00 H new ATOM 1351 N SER A 93 -9.170 7.389 3.886 1.00 25.00 N ATOM 1352 CA SER A 93 -10.159 8.089 4.686 1.00 25.00 C ATOM 1353 C SER A 93 -10.254 9.502 4.284 1.00 25.00 C ATOM 1354 O SER A 93 -11.380 10.053 4.113 1.00 25.00 O ATOM 1355 CB SER A 93 -9.878 7.913 6.169 1.00 25.00 C ATOM 1356 OG SER A 93 -8.631 8.476 6.506 1.00 25.00 O ATOM 0 H SER A 93 -8.209 7.682 4.063 1.00 25.00 H new ATOM 0 HA SER A 93 -11.138 7.647 4.501 1.00 25.00 H new ATOM 0 HB2 SER A 93 -10.667 8.387 6.753 1.00 25.00 H new ATOM 0 HB3 SER A 93 -9.886 6.853 6.423 1.00 25.00 H new ATOM 0 HG SER A 93 -8.466 8.356 7.465 1.00 25.00 H new ATOM 1362 N GLN A 94 -9.179 10.019 3.744 1.00 25.00 N ATOM 1363 CA GLN A 94 -9.183 11.319 3.072 1.00 25.00 C ATOM 1364 C GLN A 94 -7.870 11.348 2.396 1.00 25.00 C ATOM 1365 O GLN A 94 -6.933 10.725 2.899 1.00 25.00 O ATOM 1366 CB GLN A 94 -9.278 12.439 4.131 1.00 25.00 C ATOM 1367 CG GLN A 94 -9.406 13.802 3.478 1.00 25.00 C ATOM 1368 CD GLN A 94 -9.741 14.871 4.517 1.00 25.00 C ATOM 1369 OE1 GLN A 94 -9.838 14.614 5.681 1.00 25.00 O ATOM 1370 NE2 GLN A 94 -9.950 16.088 4.108 1.00 25.00 N ATOM 0 H GLN A 94 -8.269 9.559 3.751 1.00 25.00 H new ATOM 0 HA GLN A 94 -10.015 11.463 2.383 1.00 25.00 H new ATOM 0 HB2 GLN A 94 -10.138 12.260 4.777 1.00 25.00 H new ATOM 0 HB3 GLN A 94 -8.392 12.419 4.766 1.00 25.00 H new ATOM 0 HG2 GLN A 94 -8.474 14.058 2.974 1.00 25.00 H new ATOM 0 HG3 GLN A 94 -10.184 13.773 2.715 1.00 25.00 H new ATOM 0 HE21 GLN A 94 -9.869 16.314 3.117 1.00 25.00 H new ATOM 0 HE22 GLN A 94 -10.195 16.816 4.779 1.00 25.00 H new ATOM 1379 N TRP A 95 -7.750 12.050 1.255 1.00 25.00 N ATOM 1380 CA TRP A 95 -6.441 12.343 0.726 1.00 25.00 C ATOM 1381 C TRP A 95 -6.444 13.798 0.268 1.00 25.00 C ATOM 1382 O TRP A 95 -7.507 14.366 0.262 1.00 25.00 O ATOM 1383 CB TRP A 95 -6.079 11.329 -0.409 1.00 25.00 C ATOM 1384 CG TRP A 95 -7.118 11.099 -1.399 1.00 25.00 C ATOM 1385 CD1 TRP A 95 -8.195 10.355 -1.318 1.00 25.00 C ATOM 1386 CD2 TRP A 95 -7.222 11.661 -2.709 1.00 25.00 C ATOM 1387 NE1 TRP A 95 -8.849 10.146 -2.513 1.00 25.00 N ATOM 1388 CE2 TRP A 95 -8.290 11.009 -3.387 1.00 25.00 C ATOM 1389 CE3 TRP A 95 -6.349 12.438 -3.488 1.00 25.00 C ATOM 1390 CZ2 TRP A 95 -8.500 11.129 -4.771 1.00 25.00 C ATOM 1391 CZ3 TRP A 95 -6.581 12.624 -4.861 1.00 25.00 C ATOM 1392 CH2 TRP A 95 -7.616 11.942 -5.504 1.00 25.00 C ATOM 0 H TRP A 95 -8.531 12.409 0.707 1.00 25.00 H new ATOM 0 HA TRP A 95 -5.664 12.226 1.481 1.00 25.00 H new ATOM 0 HB2 TRP A 95 -5.187 11.688 -0.922 1.00 25.00 H new ATOM 0 HB3 TRP A 95 -5.821 10.374 0.050 1.00 25.00 H new ATOM 0 HD1 TRP A 95 -8.543 9.937 -0.385 1.00 25.00 H new ATOM 0 HE1 TRP A 95 -9.598 9.479 -2.698 1.00 25.00 H new ATOM 0 HE3 TRP A 95 -5.488 12.898 -3.026 1.00 25.00 H new ATOM 0 HZ2 TRP A 95 -9.315 10.613 -5.257 1.00 25.00 H new ATOM 0 HZ3 TRP A 95 -5.954 13.300 -5.424 1.00 25.00 H new ATOM 0 HH2 TRP A 95 -7.739 12.039 -6.573 1.00 25.00 H new ATOM 1403 N HIS A 96 -5.309 14.407 0.114 1.00 25.00 N ATOM 1404 CA HIS A 96 -5.157 15.838 0.020 1.00 25.00 C ATOM 1405 C HIS A 96 -4.046 16.086 -1.018 1.00 25.00 C ATOM 1406 O HIS A 96 -3.128 15.255 -1.159 1.00 25.00 O ATOM 1407 CB HIS A 96 -4.689 16.502 1.321 1.00 25.00 C ATOM 1408 CG HIS A 96 -5.412 16.084 2.554 1.00 25.00 C ATOM 1409 ND1 HIS A 96 -6.170 16.922 3.334 1.00 25.00 N ATOM 1410 CD2 HIS A 96 -5.408 14.873 3.245 1.00 25.00 C ATOM 1411 CE1 HIS A 96 -6.494 16.286 4.433 1.00 25.00 C ATOM 1412 NE2 HIS A 96 -6.028 15.080 4.451 1.00 25.00 N ATOM 0 H HIS A 96 -4.423 13.906 0.047 1.00 25.00 H new ATOM 0 HA HIS A 96 -6.130 16.259 -0.233 1.00 25.00 H new ATOM 0 HB2 HIS A 96 -3.628 16.291 1.454 1.00 25.00 H new ATOM 0 HB3 HIS A 96 -4.788 17.582 1.212 1.00 25.00 H new ATOM 0 HD2 HIS A 96 -4.992 13.940 2.894 1.00 25.00 H new ATOM 0 HE1 HIS A 96 -7.081 16.718 5.230 1.00 25.00 H new ATOM 0 HE2 HIS A 96 -6.106 14.410 5.216 1.00 25.00 H new ATOM 1420 N TYR A 97 -4.047 17.342 -1.487 1.00 25.00 N ATOM 1421 CA TYR A 97 -2.869 17.972 -2.114 1.00 25.00 C ATOM 1422 C TYR A 97 -2.679 19.266 -1.324 1.00 25.00 C ATOM 1423 O TYR A 97 -3.595 20.139 -1.180 1.00 25.00 O ATOM 1424 CB TYR A 97 -3.192 18.345 -3.587 1.00 25.00 C ATOM 1425 CG TYR A 97 -3.534 17.137 -4.480 1.00 25.00 C ATOM 1426 CD1 TYR A 97 -4.886 16.656 -4.590 1.00 50.00 C ATOM 1427 CD2 TYR A 97 -2.593 16.516 -5.302 1.00 50.00 C ATOM 1428 CE1 TYR A 97 -5.233 15.686 -5.550 1.00 25.00 C ATOM 1429 CE2 TYR A 97 -2.973 15.477 -6.216 1.00 25.00 C ATOM 1430 CZ TYR A 97 -4.283 15.154 -6.364 1.00 25.00 C ATOM 1431 OH TYR A 97 -4.605 14.145 -7.249 1.00 25.00 O ATOM 0 H TYR A 97 -4.863 17.952 -1.444 1.00 25.00 H new ATOM 0 HA TYR A 97 -1.996 17.319 -2.108 1.00 25.00 H new ATOM 0 HB2 TYR A 97 -4.031 19.041 -3.599 1.00 25.00 H new ATOM 0 HB3 TYR A 97 -2.337 18.869 -4.014 1.00 25.00 H new ATOM 0 HD1 TYR A 97 -5.645 17.044 -3.927 1.00 50.00 H new ATOM 0 HD2 TYR A 97 -1.559 16.823 -5.249 1.00 50.00 H new ATOM 0 HE1 TYR A 97 -6.260 15.363 -5.640 1.00 25.00 H new ATOM 0 HE2 TYR A 97 -2.219 14.953 -6.785 1.00 25.00 H new ATOM 0 HH TYR A 97 -3.965 13.409 -7.153 1.00 25.00 H new ATOM 1441 N TYR A 98 -1.480 19.522 -0.806 1.00 25.00 N ATOM 1442 CA TYR A 98 -1.125 20.818 -0.188 1.00 25.00 C ATOM 1443 C TYR A 98 0.009 21.434 -1.007 1.00 25.00 C ATOM 1444 O TYR A 98 0.626 20.672 -1.720 1.00 25.00 O ATOM 1445 CB TYR A 98 -0.636 20.493 1.217 1.00 25.00 C ATOM 1446 CG TYR A 98 -1.777 20.187 2.180 1.00 25.00 C ATOM 1447 CD1 TYR A 98 -2.004 18.803 2.527 1.00 50.00 C ATOM 1448 CD2 TYR A 98 -2.488 21.167 2.806 1.00 50.00 C ATOM 1449 CE1 TYR A 98 -2.990 18.486 3.442 1.00 25.00 C ATOM 1450 CE2 TYR A 98 -3.489 20.848 3.788 1.00 25.00 C ATOM 1451 CZ TYR A 98 -3.777 19.498 4.028 1.00 25.00 C ATOM 1452 OH TYR A 98 -4.889 19.222 4.847 1.00 25.00 O ATOM 0 H TYR A 98 -0.719 18.843 -0.798 1.00 25.00 H new ATOM 0 HA TYR A 98 -1.962 21.516 -0.156 1.00 25.00 H new ATOM 0 HB2 TYR A 98 0.037 19.637 1.174 1.00 25.00 H new ATOM 0 HB3 TYR A 98 -0.058 21.334 1.600 1.00 25.00 H new ATOM 0 HD1 TYR A 98 -1.409 18.023 2.075 1.00 50.00 H new ATOM 0 HD2 TYR A 98 -2.296 22.201 2.560 1.00 50.00 H new ATOM 0 HE1 TYR A 98 -3.159 17.454 3.710 1.00 25.00 H new ATOM 0 HE2 TYR A 98 -4.005 21.629 4.327 1.00 25.00 H new ATOM 0 HH TYR A 98 -5.478 18.583 4.394 1.00 25.00 H new ATOM 1462 N ILE A 99 0.115 22.724 -1.080 1.00 25.00 N ATOM 1463 CA ILE A 99 1.306 23.400 -1.625 1.00 25.00 C ATOM 1464 C ILE A 99 1.976 24.339 -0.601 1.00 25.00 C ATOM 1465 O ILE A 99 1.314 24.803 0.318 1.00 25.00 O ATOM 1466 CB ILE A 99 1.046 24.161 -3.006 1.00 25.00 C ATOM 1467 CG1 ILE A 99 0.019 25.267 -2.841 1.00 25.00 C ATOM 1468 CG2 ILE A 99 0.657 23.219 -4.112 1.00 25.00 C ATOM 1469 CD1 ILE A 99 -0.003 26.344 -3.868 1.00 25.00 C ATOM 0 H ILE A 99 -0.615 23.364 -0.767 1.00 25.00 H new ATOM 0 HA ILE A 99 2.000 22.589 -1.844 1.00 25.00 H new ATOM 0 HB ILE A 99 1.991 24.619 -3.297 1.00 25.00 H new ATOM 0 HG12 ILE A 99 -0.969 24.807 -2.815 1.00 25.00 H new ATOM 0 HG13 ILE A 99 0.180 25.733 -1.869 1.00 25.00 H new ATOM 0 HG21 ILE A 99 0.491 23.784 -5.029 1.00 25.00 H new ATOM 0 HG22 ILE A 99 1.456 22.495 -4.271 1.00 25.00 H new ATOM 0 HG23 ILE A 99 -0.259 22.695 -3.838 1.00 25.00 H new ATOM 0 HD11 ILE A 99 -0.784 27.064 -3.624 1.00 25.00 H new ATOM 0 HD12 ILE A 99 0.963 26.849 -3.886 1.00 25.00 H new ATOM 0 HD13 ILE A 99 -0.204 25.909 -4.847 1.00 25.00 H new ATOM 1481 N THR A 100 3.251 24.580 -0.717 1.00 25.00 N ATOM 1482 CA THR A 100 3.964 25.481 0.250 1.00 25.00 C ATOM 1483 C THR A 100 3.487 26.876 -0.063 1.00 25.00 C ATOM 1484 O THR A 100 3.252 27.236 -1.178 1.00 25.00 O ATOM 1485 CB THR A 100 5.468 25.386 0.042 1.00 25.00 C ATOM 1486 OG1 THR A 100 5.662 25.294 -1.376 1.00 25.00 O ATOM 1487 CG2 THR A 100 6.064 24.133 0.604 1.00 25.00 C ATOM 0 H THR A 100 3.844 24.189 -1.449 1.00 25.00 H new ATOM 0 HA THR A 100 3.757 25.206 1.284 1.00 25.00 H new ATOM 0 HB THR A 100 5.933 26.243 0.529 1.00 25.00 H new ATOM 0 HG1 THR A 100 6.620 25.231 -1.572 1.00 25.00 H new ATOM 0 HG21 THR A 100 7.139 24.128 0.422 1.00 25.00 H new ATOM 0 HG22 THR A 100 5.877 24.091 1.677 1.00 25.00 H new ATOM 0 HG23 THR A 100 5.610 23.267 0.123 1.00 25.00 H new ATOM 1495 N LYS A 101 3.404 27.716 0.971 1.00 25.00 N ATOM 1496 CA LYS A 101 2.867 29.045 0.770 1.00 25.00 C ATOM 1497 C LYS A 101 4.005 30.026 0.553 1.00 25.00 C ATOM 1498 O LYS A 101 4.563 30.583 1.446 1.00 25.00 O ATOM 1499 CB LYS A 101 2.057 29.415 2.000 1.00 25.00 C ATOM 1500 CG LYS A 101 1.271 30.695 1.841 1.00 25.00 C ATOM 1501 CD LYS A 101 0.155 30.794 2.893 1.00 25.00 C ATOM 1502 CE LYS A 101 -0.585 32.086 2.909 1.00 25.00 C ATOM 1503 NZ LYS A 101 -1.743 31.932 3.867 1.00 25.00 N1+ ATOM 0 H LYS A 101 3.694 27.501 1.925 1.00 25.00 H new ATOM 0 HA LYS A 101 2.225 29.076 -0.111 1.00 25.00 H new ATOM 0 HB2 LYS A 101 1.369 28.602 2.230 1.00 25.00 H new ATOM 0 HB3 LYS A 101 2.730 29.514 2.852 1.00 25.00 H new ATOM 0 HG2 LYS A 101 1.940 31.550 1.935 1.00 25.00 H new ATOM 0 HG3 LYS A 101 0.838 30.737 0.842 1.00 25.00 H new ATOM 0 HD2 LYS A 101 -0.557 29.987 2.721 1.00 25.00 H new ATOM 0 HD3 LYS A 101 0.591 30.630 3.879 1.00 25.00 H new ATOM 0 HE2 LYS A 101 0.069 32.899 3.225 1.00 25.00 H new ATOM 0 HE3 LYS A 101 -0.944 32.335 1.910 1.00 25.00 H new ATOM 0 HZ1 LYS A 101 -2.284 32.819 3.903 1.00 25.00 H new ATOM 0 HZ2 LYS A 101 -2.362 31.162 3.542 1.00 25.00 H new ATOM 0 HZ3 LYS A 101 -1.381 31.708 4.816 1.00 25.00 H new ATOM 1517 N LYS A 102 4.438 30.093 -0.728 1.00 25.00 N ATOM 1518 CA LYS A 102 5.487 30.990 -1.196 1.00 25.00 C ATOM 1519 C LYS A 102 5.366 32.444 -0.813 1.00 25.00 C ATOM 1520 O LYS A 102 4.289 32.980 -0.612 1.00 25.00 O ATOM 1521 CB LYS A 102 5.560 30.850 -2.746 1.00 25.00 C ATOM 1522 CG LYS A 102 6.899 31.119 -3.312 1.00 25.00 C ATOM 1523 CD LYS A 102 7.163 30.675 -4.727 1.00 25.00 C ATOM 1524 CE LYS A 102 8.631 31.101 -4.961 1.00 25.00 C ATOM 1525 NZ LYS A 102 9.176 30.529 -6.208 1.00 25.00 N1+ ATOM 0 H LYS A 102 4.052 29.508 -1.469 1.00 25.00 H new ATOM 0 HA LYS A 102 6.399 30.677 -0.688 1.00 25.00 H new ATOM 0 HB2 LYS A 102 5.255 29.841 -3.024 1.00 25.00 H new ATOM 0 HB3 LYS A 102 4.842 31.535 -3.197 1.00 25.00 H new ATOM 0 HG2 LYS A 102 7.076 32.193 -3.259 1.00 25.00 H new ATOM 0 HG3 LYS A 102 7.638 30.642 -2.668 1.00 25.00 H new ATOM 0 HD2 LYS A 102 7.032 29.599 -4.843 1.00 25.00 H new ATOM 0 HD3 LYS A 102 6.486 31.156 -5.433 1.00 25.00 H new ATOM 0 HE2 LYS A 102 8.692 32.189 -5.003 1.00 25.00 H new ATOM 0 HE3 LYS A 102 9.241 30.780 -4.117 1.00 25.00 H new ATOM 0 HZ1 LYS A 102 10.181 30.781 -6.295 1.00 25.00 H new ATOM 0 HZ2 LYS A 102 9.080 29.494 -6.186 1.00 25.00 H new ATOM 0 HZ3 LYS A 102 8.652 30.908 -7.022 1.00 25.00 H new ATOM 1539 N GLY A 103 6.465 33.152 -0.771 1.00 25.00 N ATOM 1540 CA GLY A 103 6.494 34.518 -0.331 1.00 25.00 C ATOM 1541 C GLY A 103 6.516 34.859 1.143 1.00 25.00 C ATOM 1542 O GLY A 103 6.337 36.003 1.655 1.00 25.00 O ATOM 0 H GLY A 103 7.377 32.788 -1.046 1.00 25.00 H new ATOM 0 HA2 GLY A 103 7.374 34.980 -0.779 1.00 25.00 H new ATOM 0 HA3 GLY A 103 5.622 35.011 -0.760 1.00 25.00 H new ATOM 1546 N TRP A 104 6.836 33.812 1.900 1.00 25.00 N ATOM 1547 CA TRP A 104 6.865 33.817 3.323 1.00 25.00 C ATOM 1548 C TRP A 104 8.043 34.641 3.924 1.00 25.00 C ATOM 1549 O TRP A 104 8.859 35.160 3.154 1.00 25.00 O ATOM 1550 CB TRP A 104 6.989 32.337 3.760 1.00 25.00 C ATOM 1551 CG TRP A 104 7.932 31.492 2.979 1.00 25.00 C ATOM 1552 CD1 TRP A 104 9.193 31.881 2.550 1.00 25.00 C ATOM 1553 CD2 TRP A 104 7.742 30.120 2.593 1.00 25.00 C ATOM 1554 NE1 TRP A 104 9.809 30.862 1.909 1.00 25.00 N ATOM 1555 CE2 TRP A 104 8.978 29.731 2.003 1.00 25.00 C ATOM 1556 CE3 TRP A 104 6.756 29.141 2.837 1.00 25.00 C ATOM 1557 CZ2 TRP A 104 9.279 28.402 1.684 1.00 25.00 C ATOM 1558 CZ3 TRP A 104 6.998 27.818 2.452 1.00 25.00 C ATOM 1559 CH2 TRP A 104 8.278 27.461 1.939 1.00 25.00 C ATOM 0 H TRP A 104 7.090 32.908 1.501 1.00 25.00 H new ATOM 0 HA TRP A 104 5.958 34.296 3.692 1.00 25.00 H new ATOM 0 HB2 TRP A 104 7.296 32.314 4.806 1.00 25.00 H new ATOM 0 HB3 TRP A 104 6.000 31.882 3.708 1.00 25.00 H new ATOM 0 HD1 TRP A 104 9.622 32.860 2.706 1.00 25.00 H new ATOM 0 HE1 TRP A 104 10.714 30.906 1.441 1.00 25.00 H new ATOM 0 HE3 TRP A 104 5.826 29.410 3.315 1.00 25.00 H new ATOM 0 HZ2 TRP A 104 10.233 28.119 1.264 1.00 25.00 H new ATOM 0 HZ3 TRP A 104 6.221 27.074 2.543 1.00 25.00 H new ATOM 0 HH2 TRP A 104 8.483 26.420 1.739 1.00 25.00 H new ATOM 1570 N ASP A 105 8.081 34.674 5.252 1.00 25.00 N ATOM 1571 CA ASP A 105 9.150 35.361 5.998 1.00 25.00 C ATOM 1572 C ASP A 105 9.174 34.747 7.358 1.00 25.00 C ATOM 1573 O ASP A 105 8.120 34.440 7.873 1.00 25.00 O ATOM 1574 CB ASP A 105 8.825 36.905 6.159 1.00 25.00 C ATOM 1575 CG ASP A 105 9.968 37.635 6.742 1.00 25.00 C ATOM 1576 OD1 ASP A 105 10.083 37.808 7.928 1.00 25.00 O ATOM 1577 OD2 ASP A 105 10.798 37.971 5.911 1.00 25.00 O1- ATOM 0 H ASP A 105 7.380 34.231 5.846 1.00 25.00 H new ATOM 0 HA ASP A 105 10.099 35.261 5.472 1.00 25.00 H new ATOM 0 HB2 ASP A 105 8.577 37.330 5.186 1.00 25.00 H new ATOM 0 HB3 ASP A 105 7.948 37.030 6.795 1.00 25.00 H new ATOM 1582 N PRO A 106 10.346 34.531 8.020 1.00 25.00 N ATOM 1583 CA PRO A 106 10.234 34.018 9.418 1.00 25.00 C ATOM 1584 C PRO A 106 9.459 34.920 10.477 1.00 25.00 C ATOM 1585 O PRO A 106 8.932 34.426 11.462 1.00 25.00 O ATOM 1586 CB PRO A 106 11.716 33.999 9.797 1.00 25.00 C ATOM 1587 CG PRO A 106 12.356 34.987 8.986 1.00 25.00 C ATOM 1588 CD PRO A 106 11.762 34.804 7.695 1.00 25.00 C ATOM 0 HA PRO A 106 9.659 33.092 9.442 1.00 25.00 H new ATOM 0 HB2 PRO A 106 11.848 34.221 10.856 1.00 25.00 H new ATOM 0 HB3 PRO A 106 12.148 33.014 9.622 1.00 25.00 H new ATOM 0 HG2 PRO A 106 12.182 35.993 9.368 1.00 25.00 H new ATOM 0 HG3 PRO A 106 13.436 34.841 8.954 1.00 25.00 H new ATOM 0 HD2 PRO A 106 11.870 35.691 7.071 1.00 25.00 H new ATOM 0 HD3 PRO A 106 12.219 33.976 7.153 1.00 25.00 H new ATOM 1596 N ASP A 107 9.378 36.202 10.207 1.00 25.00 N ATOM 1597 CA ASP A 107 8.596 37.044 11.182 1.00 25.00 C ATOM 1598 C ASP A 107 7.077 36.836 10.988 1.00 25.00 C ATOM 1599 O ASP A 107 6.238 37.250 11.755 1.00 25.00 O ATOM 1600 CB ASP A 107 8.955 38.474 10.975 1.00 25.00 C ATOM 1601 CG ASP A 107 8.388 39.428 12.034 1.00 25.00 C ATOM 1602 OD1 ASP A 107 7.839 40.527 11.714 1.00 75.00 O ATOM 1603 OD2 ASP A 107 8.494 39.082 13.240 1.00 75.00 O1- ATOM 0 H ASP A 107 9.789 36.683 9.407 1.00 25.00 H new ATOM 0 HA ASP A 107 8.845 36.746 12.200 1.00 25.00 H new ATOM 0 HB2 ASP A 107 10.041 38.566 10.965 1.00 25.00 H new ATOM 0 HB3 ASP A 107 8.599 38.787 9.993 1.00 25.00 H new ATOM 1608 N LYS A 108 6.736 36.183 9.923 1.00 25.00 N ATOM 1609 CA LYS A 108 5.385 35.894 9.378 1.00 25.00 C ATOM 1610 C LYS A 108 5.203 34.330 9.658 1.00 25.00 C ATOM 1611 O LYS A 108 6.179 33.699 10.190 1.00 25.00 O ATOM 1612 CB LYS A 108 5.372 36.283 7.906 1.00 25.00 C ATOM 1613 CG LYS A 108 5.342 37.792 7.630 1.00 25.00 C ATOM 1614 CD LYS A 108 5.209 38.155 6.197 1.00 25.00 C ATOM 1615 CE LYS A 108 5.417 39.622 6.057 1.00 25.00 C ATOM 1616 NZ LYS A 108 5.460 40.010 4.606 1.00 25.00 N1+ ATOM 0 H LYS A 108 7.457 35.781 9.324 1.00 25.00 H new ATOM 0 HA LYS A 108 4.559 36.448 9.824 1.00 25.00 H new ATOM 0 HB2 LYS A 108 6.255 35.860 7.427 1.00 25.00 H new ATOM 0 HB3 LYS A 108 4.503 35.826 7.433 1.00 25.00 H new ATOM 0 HG2 LYS A 108 4.511 38.233 8.182 1.00 25.00 H new ATOM 0 HG3 LYS A 108 6.257 38.238 8.021 1.00 25.00 H new ATOM 0 HD2 LYS A 108 5.940 37.611 5.600 1.00 25.00 H new ATOM 0 HD3 LYS A 108 4.223 37.876 5.826 1.00 25.00 H new ATOM 0 HE2 LYS A 108 4.613 40.159 6.560 1.00 25.00 H new ATOM 0 HE3 LYS A 108 6.348 39.912 6.545 1.00 25.00 H new ATOM 0 HZ1 LYS A 108 5.606 41.037 4.525 1.00 25.00 H new ATOM 0 HZ2 LYS A 108 6.242 39.511 4.136 1.00 25.00 H new ATOM 0 HZ3 LYS A 108 4.562 39.751 4.151 1.00 25.00 H new ATOM 1630 N PRO A 109 3.999 33.719 9.461 1.00 25.00 N ATOM 1631 CA PRO A 109 3.744 32.324 9.787 1.00 25.00 C ATOM 1632 C PRO A 109 4.566 31.169 9.197 1.00 25.00 C ATOM 1633 O PRO A 109 4.057 30.071 9.191 1.00 25.00 O ATOM 1634 CB PRO A 109 2.377 32.098 9.257 1.00 25.00 C ATOM 1635 CG PRO A 109 1.754 33.429 9.198 1.00 25.00 C ATOM 1636 CD PRO A 109 2.795 34.389 8.935 1.00 25.00 C ATOM 0 HA PRO A 109 3.976 32.264 10.850 1.00 25.00 H new ATOM 0 HB2 PRO A 109 2.410 31.636 8.270 1.00 25.00 H new ATOM 0 HB3 PRO A 109 1.811 31.428 9.904 1.00 25.00 H new ATOM 0 HG2 PRO A 109 0.997 33.462 8.415 1.00 25.00 H new ATOM 0 HG3 PRO A 109 1.251 33.658 10.138 1.00 25.00 H new ATOM 0 HD2 PRO A 109 2.885 34.606 7.871 1.00 25.00 H new ATOM 0 HD3 PRO A 109 2.607 35.337 9.439 1.00 25.00 H new ATOM 1644 N LEU A 110 5.724 31.405 8.622 1.00 25.00 N ATOM 1645 CA LEU A 110 6.486 30.363 7.988 1.00 25.00 C ATOM 1646 C LEU A 110 6.821 29.115 8.839 1.00 25.00 C ATOM 1647 O LEU A 110 6.803 27.998 8.316 1.00 25.00 O ATOM 1648 CB LEU A 110 7.840 31.004 7.542 1.00 25.00 C ATOM 1649 CG LEU A 110 8.860 30.363 6.555 1.00 25.00 C ATOM 1650 CD1 LEU A 110 9.924 31.409 6.139 1.00 50.00 C ATOM 1651 CD2 LEU A 110 9.649 29.185 7.101 1.00 50.00 C ATOM 0 H LEU A 110 6.160 32.326 8.583 1.00 25.00 H new ATOM 0 HA LEU A 110 5.855 29.988 7.182 1.00 25.00 H new ATOM 0 HB2 LEU A 110 7.584 31.974 7.116 1.00 25.00 H new ATOM 0 HB3 LEU A 110 8.395 31.196 8.460 1.00 25.00 H new ATOM 0 HG LEU A 110 8.236 30.010 5.734 1.00 25.00 H new ATOM 0 HD11 LEU A 110 10.633 30.952 5.449 1.00 50.00 H new ATOM 0 HD12 LEU A 110 9.434 32.252 5.651 1.00 50.00 H new ATOM 0 HD13 LEU A 110 10.454 31.760 7.024 1.00 50.00 H new ATOM 0 HD21 LEU A 110 10.329 28.815 6.333 1.00 50.00 H new ATOM 0 HD22 LEU A 110 10.223 29.504 7.971 1.00 50.00 H new ATOM 0 HD23 LEU A 110 8.962 28.390 7.391 1.00 50.00 H new ATOM 1663 N LYS A 111 7.156 29.389 10.090 1.00 25.00 N ATOM 1664 CA LYS A 111 7.351 28.335 11.048 1.00 25.00 C ATOM 1665 C LYS A 111 6.065 27.700 11.554 1.00 25.00 C ATOM 1666 O LYS A 111 6.071 26.697 12.229 1.00 25.00 O ATOM 1667 CB LYS A 111 8.182 28.839 12.257 1.00 25.00 C ATOM 1668 CG LYS A 111 9.555 29.334 11.733 1.00 25.00 C ATOM 1669 CD LYS A 111 10.275 30.060 12.853 1.00 25.00 C ATOM 1670 CE LYS A 111 9.952 31.584 12.863 1.00 25.00 C ATOM 1671 NZ LYS A 111 10.860 32.381 13.864 1.00 25.00 N1+ ATOM 0 H LYS A 111 7.296 30.331 10.456 1.00 25.00 H new ATOM 0 HA LYS A 111 7.891 27.558 10.507 1.00 25.00 H new ATOM 0 HB2 LYS A 111 7.657 29.646 12.768 1.00 25.00 H new ATOM 0 HB3 LYS A 111 8.319 28.038 12.983 1.00 25.00 H new ATOM 0 HG2 LYS A 111 10.152 28.491 11.385 1.00 25.00 H new ATOM 0 HG3 LYS A 111 9.416 29.999 10.881 1.00 25.00 H new ATOM 0 HD2 LYS A 111 9.991 29.623 13.810 1.00 25.00 H new ATOM 0 HD3 LYS A 111 11.350 29.918 12.745 1.00 25.00 H new ATOM 0 HE2 LYS A 111 10.082 31.987 11.859 1.00 25.00 H new ATOM 0 HE3 LYS A 111 8.906 31.729 13.131 1.00 25.00 H new ATOM 0 HZ1 LYS A 111 10.607 33.389 13.835 1.00 25.00 H new ATOM 0 HZ2 LYS A 111 10.718 32.016 14.828 1.00 25.00 H new ATOM 0 HZ3 LYS A 111 11.858 32.266 13.594 1.00 25.00 H new ATOM 1685 N ARG A 112 4.917 28.229 11.204 1.00 25.00 N ATOM 1686 CA ARG A 112 3.556 27.874 11.727 1.00 25.00 C ATOM 1687 C ARG A 112 2.601 27.285 10.673 1.00 25.00 C ATOM 1688 O ARG A 112 2.023 26.211 10.918 1.00 25.00 O ATOM 1689 CB ARG A 112 2.807 29.127 12.255 1.00 25.00 C ATOM 1690 CG ARG A 112 3.514 29.628 13.474 1.00 25.00 C ATOM 1691 CD ARG A 112 2.880 30.854 14.034 1.00 25.00 C ATOM 1692 NE ARG A 112 3.543 31.254 15.251 1.00 25.00 N ATOM 1693 CZ ARG A 112 3.080 32.113 16.164 1.00 25.00 C ATOM 1694 NH1 ARG A 112 1.875 32.570 16.182 1.00 25.00 N1+ ATOM 1695 NH2 ARG A 112 3.850 32.468 17.150 1.00 25.00 N ATOM 0 H ARG A 112 4.871 28.969 10.504 1.00 25.00 H new ATOM 0 HA ARG A 112 3.774 27.137 12.500 1.00 25.00 H new ATOM 0 HB2 ARG A 112 2.779 29.902 11.489 1.00 25.00 H new ATOM 0 HB3 ARG A 112 1.773 28.877 12.493 1.00 25.00 H new ATOM 0 HG2 ARG A 112 3.521 28.846 14.234 1.00 25.00 H new ATOM 0 HG3 ARG A 112 4.554 29.841 13.226 1.00 25.00 H new ATOM 0 HD2 ARG A 112 2.929 31.662 13.304 1.00 25.00 H new ATOM 0 HD3 ARG A 112 1.825 30.667 14.232 1.00 25.00 H new ATOM 0 HE ARG A 112 4.457 30.840 15.433 1.00 25.00 H new ATOM 0 HH11 ARG A 112 1.208 32.277 15.468 1.00 25.00 H new ATOM 0 HH12 ARG A 112 1.589 33.224 16.910 1.00 25.00 H new ATOM 0 HH21 ARG A 112 4.795 32.092 17.220 1.00 25.00 H new ATOM 0 HH22 ARG A 112 3.509 33.123 17.853 1.00 25.00 H new ATOM 1709 N ALA A 113 2.323 28.052 9.617 1.00 25.00 N ATOM 1710 CA ALA A 113 1.129 27.860 8.758 1.00 25.00 C ATOM 1711 C ALA A 113 1.446 28.104 7.283 1.00 25.00 C ATOM 1712 O ALA A 113 0.631 28.587 6.477 1.00 25.00 O ATOM 1713 CB ALA A 113 -0.017 28.754 9.244 1.00 25.00 C ATOM 0 H ALA A 113 2.915 28.829 9.324 1.00 25.00 H new ATOM 0 HA ALA A 113 0.814 26.820 8.840 1.00 25.00 H new ATOM 0 HB1 ALA A 113 -0.889 28.606 8.607 1.00 25.00 H new ATOM 0 HB2 ALA A 113 -0.270 28.494 10.272 1.00 25.00 H new ATOM 0 HB3 ALA A 113 0.292 29.798 9.199 1.00 25.00 H new ATOM 1719 N ASP A 114 2.714 27.811 6.995 1.00 25.00 N ATOM 1720 CA ASP A 114 3.242 27.858 5.610 1.00 25.00 C ATOM 1721 C ASP A 114 2.672 26.880 4.633 1.00 25.00 C ATOM 1722 O ASP A 114 3.434 26.439 3.795 1.00 25.00 O ATOM 1723 CB ASP A 114 4.782 27.585 5.636 1.00 25.00 C ATOM 1724 CG ASP A 114 5.154 26.154 6.020 1.00 25.00 C ATOM 1725 OD1 ASP A 114 6.190 25.717 5.415 1.00 25.00 O ATOM 1726 OD2 ASP A 114 4.471 25.465 6.832 1.00 25.00 O1- ATOM 0 H ASP A 114 3.404 27.537 7.695 1.00 25.00 H new ATOM 0 HA ASP A 114 2.956 28.852 5.267 1.00 25.00 H new ATOM 0 HB2 ASP A 114 5.196 27.805 4.652 1.00 25.00 H new ATOM 0 HB3 ASP A 114 5.250 28.273 6.340 1.00 25.00 H new ATOM 1731 N PHE A 115 1.432 26.579 4.589 1.00 25.00 N ATOM 1732 CA PHE A 115 0.814 25.757 3.568 1.00 25.00 C ATOM 1733 C PHE A 115 -0.408 26.407 2.966 1.00 25.00 C ATOM 1734 O PHE A 115 -1.017 27.316 3.525 1.00 25.00 O ATOM 1735 CB PHE A 115 0.414 24.376 4.168 1.00 25.00 C ATOM 1736 CG PHE A 115 -0.646 24.439 5.275 1.00 25.00 C ATOM 1737 CD1 PHE A 115 -0.342 24.752 6.636 1.00 50.00 C ATOM 1738 CD2 PHE A 115 -1.970 24.203 4.868 1.00 50.00 C ATOM 1739 CE1 PHE A 115 -1.359 24.689 7.594 1.00 25.00 C ATOM 1740 CE2 PHE A 115 -3.001 24.328 5.847 1.00 25.00 C ATOM 1741 CZ PHE A 115 -2.696 24.491 7.232 1.00 25.00 C ATOM 0 H PHE A 115 0.767 26.905 5.291 1.00 25.00 H new ATOM 0 HA PHE A 115 1.550 25.629 2.774 1.00 25.00 H new ATOM 0 HB2 PHE A 115 0.043 23.740 3.364 1.00 25.00 H new ATOM 0 HB3 PHE A 115 1.308 23.896 4.567 1.00 25.00 H new ATOM 0 HD1 PHE A 115 0.661 25.034 6.921 1.00 50.00 H new ATOM 0 HD2 PHE A 115 -2.200 23.936 3.847 1.00 50.00 H new ATOM 0 HE1 PHE A 115 -1.106 24.796 8.639 1.00 25.00 H new ATOM 0 HE2 PHE A 115 -4.034 24.299 5.533 1.00 25.00 H new ATOM 0 HZ PHE A 115 -3.475 24.462 7.979 1.00 25.00 H new ATOM 1751 N GLU A 116 -0.849 25.849 1.843 1.00 25.00 N ATOM 1752 CA GLU A 116 -2.184 26.114 1.320 1.00 25.00 C ATOM 1753 C GLU A 116 -2.660 24.714 1.000 1.00 25.00 C ATOM 1754 O GLU A 116 -1.852 23.904 0.521 1.00 25.00 O ATOM 1755 CB GLU A 116 -2.163 26.926 0.045 1.00 25.00 C ATOM 1756 CG GLU A 116 -1.692 28.393 0.333 1.00 25.00 C ATOM 1757 CD GLU A 116 -1.769 29.375 -0.842 1.00 25.00 C ATOM 1758 OE1 GLU A 116 -1.745 28.975 -2.016 1.00 25.00 O ATOM 1759 OE2 GLU A 116 -1.773 30.601 -0.575 1.00 25.00 O1- ATOM 0 H GLU A 116 -0.297 25.207 1.275 1.00 25.00 H new ATOM 0 HA GLU A 116 -2.799 26.684 2.016 1.00 25.00 H new ATOM 0 HB2 GLU A 116 -1.495 26.459 -0.679 1.00 25.00 H new ATOM 0 HB3 GLU A 116 -3.157 26.939 -0.401 1.00 25.00 H new ATOM 0 HG2 GLU A 116 -2.293 28.791 1.151 1.00 25.00 H new ATOM 0 HG3 GLU A 116 -0.660 28.358 0.683 1.00 25.00 H new ATOM 1766 N LEU A 117 -3.968 24.518 1.246 1.00 25.00 N ATOM 1767 CA LEU A 117 -4.633 23.316 0.710 1.00 25.00 C ATOM 1768 C LEU A 117 -5.102 23.608 -0.693 1.00 25.00 C ATOM 1769 O LEU A 117 -5.889 24.477 -0.842 1.00 25.00 O ATOM 1770 CB LEU A 117 -5.887 22.952 1.592 1.00 25.00 C ATOM 1771 CG LEU A 117 -6.727 21.804 1.097 1.00 25.00 C ATOM 1772 CD1 LEU A 117 -6.026 20.414 1.433 1.00 50.00 C ATOM 1773 CD2 LEU A 117 -8.035 21.942 1.791 1.00 50.00 C ATOM 0 H LEU A 117 -4.564 25.145 1.787 1.00 25.00 H new ATOM 0 HA LEU A 117 -3.930 22.483 0.718 1.00 25.00 H new ATOM 0 HB2 LEU A 117 -5.543 22.718 2.599 1.00 25.00 H new ATOM 0 HB3 LEU A 117 -6.522 23.835 1.669 1.00 25.00 H new ATOM 0 HG LEU A 117 -6.854 21.823 0.015 1.00 25.00 H new ATOM 0 HD11 LEU A 117 -6.647 19.596 1.068 1.00 50.00 H new ATOM 0 HD12 LEU A 117 -5.050 20.372 0.949 1.00 50.00 H new ATOM 0 HD13 LEU A 117 -5.901 20.321 2.512 1.00 50.00 H new ATOM 0 HD21 LEU A 117 -8.700 21.137 1.478 1.00 50.00 H new ATOM 0 HD22 LEU A 117 -7.882 21.888 2.869 1.00 50.00 H new ATOM 0 HD23 LEU A 117 -8.483 22.902 1.536 1.00 50.00 H new ATOM 1785 N ILE A 118 -4.687 22.894 -1.722 1.00 25.00 N ATOM 1786 CA ILE A 118 -5.111 23.095 -3.113 1.00 25.00 C ATOM 1787 C ILE A 118 -6.152 22.045 -3.504 1.00 25.00 C ATOM 1788 O ILE A 118 -6.879 22.248 -4.450 1.00 25.00 O ATOM 1789 CB ILE A 118 -3.865 23.026 -4.077 1.00 25.00 C ATOM 1790 CG1 ILE A 118 -4.164 23.804 -5.385 1.00 25.00 C ATOM 1791 CG2 ILE A 118 -3.384 21.685 -4.340 1.00 25.00 C ATOM 1792 CD1 ILE A 118 -2.990 24.231 -6.292 1.00 25.00 C ATOM 0 H ILE A 118 -4.021 22.128 -1.619 1.00 25.00 H new ATOM 0 HA ILE A 118 -5.564 24.082 -3.205 1.00 25.00 H new ATOM 0 HB ILE A 118 -3.040 23.508 -3.553 1.00 25.00 H new ATOM 0 HG12 ILE A 118 -4.836 23.191 -5.985 1.00 25.00 H new ATOM 0 HG13 ILE A 118 -4.713 24.705 -5.112 1.00 25.00 H new ATOM 0 HG21 ILE A 118 -2.526 21.731 -5.011 1.00 25.00 H new ATOM 0 HG22 ILE A 118 -3.086 21.215 -3.403 1.00 25.00 H new ATOM 0 HG23 ILE A 118 -4.177 21.099 -4.804 1.00 25.00 H new ATOM 0 HD11 ILE A 118 -3.377 24.763 -7.161 1.00 25.00 H new ATOM 0 HD12 ILE A 118 -2.319 24.885 -5.735 1.00 25.00 H new ATOM 0 HD13 ILE A 118 -2.444 23.347 -6.621 1.00 25.00 H new ATOM 1804 N GLY A 119 -6.346 21.060 -2.598 1.00 25.00 N ATOM 1805 CA GLY A 119 -7.535 20.258 -2.776 1.00 25.00 C ATOM 1806 C GLY A 119 -7.589 19.051 -1.888 1.00 25.00 C ATOM 1807 O GLY A 119 -6.518 18.622 -1.535 1.00 25.00 O ATOM 0 H GLY A 119 -5.743 20.828 -1.809 1.00 25.00 H new ATOM 0 HA2 GLY A 119 -8.412 20.877 -2.586 1.00 25.00 H new ATOM 0 HA3 GLY A 119 -7.592 19.936 -3.816 1.00 25.00 H new ATOM 1811 N ALA A 120 -8.723 18.475 -1.523 1.00 25.00 N ATOM 1812 CA ALA A 120 -8.830 17.288 -0.600 1.00 25.00 C ATOM 1813 C ALA A 120 -10.007 16.473 -1.144 1.00 25.00 C ATOM 1814 O ALA A 120 -10.944 17.005 -1.643 1.00 25.00 O ATOM 1815 CB ALA A 120 -9.087 17.703 0.858 1.00 25.00 C ATOM 0 H ALA A 120 -9.631 18.804 -1.851 1.00 25.00 H new ATOM 0 HA ALA A 120 -7.899 16.722 -0.579 1.00 25.00 H new ATOM 0 HB1 ALA A 120 -9.156 16.813 1.483 1.00 25.00 H new ATOM 0 HB2 ALA A 120 -8.266 18.329 1.208 1.00 25.00 H new ATOM 0 HB3 ALA A 120 -10.021 18.262 0.918 1.00 25.00 H new ATOM 1821 N VAL A 121 -9.931 15.155 -1.038 1.00 25.00 N ATOM 1822 CA VAL A 121 -11.087 14.228 -1.265 1.00 25.00 C ATOM 1823 C VAL A 121 -11.379 13.305 -0.098 1.00 25.00 C ATOM 1824 O VAL A 121 -10.529 12.449 0.168 1.00 25.00 O ATOM 1825 CB VAL A 121 -10.859 13.301 -2.509 1.00 25.00 C ATOM 1826 CG1 VAL A 121 -12.025 12.379 -2.747 1.00 50.00 C ATOM 1827 CG2 VAL A 121 -10.654 14.207 -3.764 1.00 50.00 C ATOM 0 H VAL A 121 -9.068 14.670 -0.791 1.00 25.00 H new ATOM 0 HA VAL A 121 -11.929 14.904 -1.414 1.00 25.00 H new ATOM 0 HB VAL A 121 -9.983 12.680 -2.322 1.00 25.00 H new ATOM 0 HG11 VAL A 121 -11.824 11.755 -3.618 1.00 50.00 H new ATOM 0 HG12 VAL A 121 -12.172 11.745 -1.873 1.00 50.00 H new ATOM 0 HG13 VAL A 121 -12.925 12.968 -2.923 1.00 50.00 H new ATOM 0 HG21 VAL A 121 -10.493 13.581 -4.642 1.00 50.00 H new ATOM 0 HG22 VAL A 121 -11.539 14.825 -3.915 1.00 50.00 H new ATOM 0 HG23 VAL A 121 -9.786 14.848 -3.612 1.00 50.00 H new ATOM 1837 N PRO A 122 -12.439 13.482 0.729 1.00 25.00 N ATOM 1838 CA PRO A 122 -12.680 12.405 1.700 1.00 25.00 C ATOM 1839 C PRO A 122 -13.333 11.182 1.151 1.00 25.00 C ATOM 1840 O PRO A 122 -13.900 11.186 0.080 1.00 25.00 O ATOM 1841 CB PRO A 122 -13.562 13.091 2.734 1.00 25.00 C ATOM 1842 CG PRO A 122 -14.411 14.003 1.945 1.00 25.00 C ATOM 1843 CD PRO A 122 -13.457 14.538 0.840 1.00 25.00 C ATOM 0 HA PRO A 122 -11.741 12.006 2.084 1.00 25.00 H new ATOM 0 HB2 PRO A 122 -14.162 12.368 3.287 1.00 25.00 H new ATOM 0 HB3 PRO A 122 -12.966 13.636 3.466 1.00 25.00 H new ATOM 0 HG2 PRO A 122 -15.267 13.482 1.516 1.00 25.00 H new ATOM 0 HG3 PRO A 122 -14.806 14.813 2.559 1.00 25.00 H new ATOM 0 HD2 PRO A 122 -13.981 14.692 -0.103 1.00 25.00 H new ATOM 0 HD3 PRO A 122 -13.015 15.495 1.119 1.00 25.00 H new ATOM 1851 N HIS A 123 -13.259 10.124 1.924 1.00 25.00 N ATOM 1852 CA HIS A 123 -14.025 8.934 1.724 1.00 25.00 C ATOM 1853 C HIS A 123 -15.454 9.282 2.164 1.00 25.00 C ATOM 1854 O HIS A 123 -15.690 9.671 3.285 1.00 25.00 O ATOM 1855 CB HIS A 123 -13.503 7.749 2.517 1.00 25.00 C ATOM 1856 CG HIS A 123 -13.795 6.413 1.939 1.00 25.00 C ATOM 1857 ND1 HIS A 123 -15.045 5.799 2.015 1.00 25.00 N ATOM 1858 CD2 HIS A 123 -13.024 5.583 1.174 1.00 25.00 C ATOM 1859 CE1 HIS A 123 -14.934 4.588 1.465 1.00 25.00 C ATOM 1860 NE2 HIS A 123 -13.763 4.513 0.856 1.00 25.00 N ATOM 0 H HIS A 123 -12.641 10.075 2.734 1.00 25.00 H new ATOM 0 HA HIS A 123 -13.969 8.627 0.680 1.00 25.00 H new ATOM 0 HB2 HIS A 123 -12.423 7.852 2.622 1.00 25.00 H new ATOM 0 HB3 HIS A 123 -13.926 7.791 3.521 1.00 25.00 H new ATOM 0 HD1 HIS A 123 -15.891 6.202 2.418 1.00 25.00 H new ATOM 0 HD2 HIS A 123 -12.000 5.759 0.879 1.00 25.00 H new ATOM 0 HE1 HIS A 123 -15.675 3.803 1.510 1.00 25.00 H new ATOM 1868 N ASP A 124 -16.417 9.325 1.239 1.00 25.00 N ATOM 1869 CA ASP A 124 -17.730 9.953 1.496 1.00 25.00 C ATOM 1870 C ASP A 124 -18.972 9.158 1.035 1.00 25.00 C ATOM 1871 O ASP A 124 -20.116 9.414 1.409 1.00 25.00 O ATOM 1872 CB ASP A 124 -17.775 11.341 0.849 1.00 25.00 C ATOM 1873 CG ASP A 124 -17.845 11.260 -0.673 1.00 25.00 C ATOM 1874 OD1 ASP A 124 -17.051 10.564 -1.336 1.00 50.00 O ATOM 1875 OD2 ASP A 124 -18.769 11.862 -1.189 1.00 50.00 O1- ATOM 0 H ASP A 124 -16.318 8.934 0.302 1.00 25.00 H new ATOM 0 HA ASP A 124 -17.797 9.994 2.583 1.00 25.00 H new ATOM 0 HB2 ASP A 124 -18.641 11.888 1.223 1.00 25.00 H new ATOM 0 HB3 ASP A 124 -16.890 11.906 1.142 1.00 25.00 H new ATOM 1880 N GLY A 125 -18.769 8.209 0.147 1.00 25.00 N ATOM 1881 CA GLY A 125 -19.831 7.454 -0.525 1.00 25.00 C ATOM 1882 C GLY A 125 -20.186 7.968 -1.906 1.00 25.00 C ATOM 1883 O GLY A 125 -21.254 7.617 -2.413 1.00 25.00 O ATOM 0 H GLY A 125 -17.834 7.924 -0.144 1.00 25.00 H new ATOM 0 HA2 GLY A 125 -19.523 6.412 -0.607 1.00 25.00 H new ATOM 0 HA3 GLY A 125 -20.725 7.475 0.098 1.00 25.00 H new ATOM 1887 N SER A 126 -19.278 8.794 -2.473 1.00 25.00 N ATOM 1888 CA SER A 126 -19.507 9.332 -3.818 1.00 25.00 C ATOM 1889 C SER A 126 -19.754 8.229 -4.905 1.00 25.00 C ATOM 1890 O SER A 126 -19.346 7.081 -4.658 1.00 25.00 O ATOM 1891 CB SER A 126 -18.330 10.218 -4.251 1.00 25.00 C ATOM 1892 OG SER A 126 -18.389 11.593 -3.788 1.00 25.00 O ATOM 0 H SER A 126 -18.408 9.091 -2.031 1.00 25.00 H new ATOM 0 HA SER A 126 -20.421 9.921 -3.749 1.00 25.00 H new ATOM 0 HB2 SER A 126 -17.405 9.769 -3.889 1.00 25.00 H new ATOM 0 HB3 SER A 126 -18.279 10.220 -5.340 1.00 25.00 H new ATOM 0 HG SER A 126 -18.880 11.632 -2.941 1.00 25.00 H new ATOM 1898 N PRO A 127 -20.331 8.577 -6.098 1.00 25.00 N ATOM 1899 CA PRO A 127 -20.314 7.638 -7.241 1.00 25.00 C ATOM 1900 C PRO A 127 -18.880 7.395 -7.773 1.00 25.00 C ATOM 1901 O PRO A 127 -17.852 8.008 -7.330 1.00 25.00 O ATOM 1902 CB PRO A 127 -21.168 8.378 -8.246 1.00 25.00 C ATOM 1903 CG PRO A 127 -20.863 9.836 -7.935 1.00 25.00 C ATOM 1904 CD PRO A 127 -20.990 9.839 -6.471 1.00 25.00 C ATOM 0 HA PRO A 127 -20.675 6.639 -6.998 1.00 25.00 H new ATOM 0 HB2 PRO A 127 -20.903 8.119 -9.271 1.00 25.00 H new ATOM 0 HB3 PRO A 127 -22.227 8.151 -8.123 1.00 25.00 H new ATOM 0 HG2 PRO A 127 -19.866 10.129 -8.264 1.00 25.00 H new ATOM 0 HG3 PRO A 127 -21.568 10.516 -8.412 1.00 25.00 H new ATOM 0 HD2 PRO A 127 -20.499 10.703 -6.022 1.00 25.00 H new ATOM 0 HD3 PRO A 127 -22.032 9.863 -6.153 1.00 25.00 H new ATOM 1912 N ALA A 128 -18.783 6.517 -8.733 1.00 25.00 N ATOM 1913 CA ALA A 128 -17.465 5.997 -9.232 1.00 25.00 C ATOM 1914 C ALA A 128 -16.377 6.985 -9.665 1.00 25.00 C ATOM 1915 O ALA A 128 -15.212 6.597 -9.846 1.00 25.00 O ATOM 1916 CB ALA A 128 -17.722 5.000 -10.359 1.00 25.00 C ATOM 0 H ALA A 128 -19.591 6.121 -9.213 1.00 25.00 H new ATOM 0 HA ALA A 128 -17.028 5.557 -8.335 1.00 25.00 H new ATOM 0 HB1 ALA A 128 -16.771 4.616 -10.729 1.00 25.00 H new ATOM 0 HB2 ALA A 128 -18.326 4.174 -9.983 1.00 25.00 H new ATOM 0 HB3 ALA A 128 -18.253 5.497 -11.171 1.00 25.00 H new ATOM 1922 N SER A 129 -16.687 8.267 -9.832 1.00 25.00 N ATOM 1923 CA SER A 129 -15.711 9.308 -10.064 1.00 25.00 C ATOM 1924 C SER A 129 -14.838 9.580 -8.790 1.00 25.00 C ATOM 1925 O SER A 129 -13.982 10.497 -8.758 1.00 25.00 O ATOM 1926 CB SER A 129 -16.428 10.584 -10.486 1.00 25.00 C ATOM 1927 OG SER A 129 -17.630 10.648 -9.694 1.00 25.00 O ATOM 0 H SER A 129 -17.647 8.611 -9.808 1.00 25.00 H new ATOM 0 HA SER A 129 -15.040 8.977 -10.857 1.00 25.00 H new ATOM 0 HB2 SER A 129 -15.801 11.459 -10.314 1.00 25.00 H new ATOM 0 HB3 SER A 129 -16.663 10.565 -11.550 1.00 25.00 H new ATOM 0 HG SER A 129 -18.132 11.457 -9.926 1.00 25.00 H new ATOM 1933 N ARG A 130 -15.112 8.860 -7.725 1.00 25.00 N ATOM 1934 CA ARG A 130 -14.354 9.048 -6.432 1.00 25.00 C ATOM 1935 C ARG A 130 -12.941 8.464 -6.347 1.00 25.00 C ATOM 1936 O ARG A 130 -12.253 8.550 -5.342 1.00 25.00 O ATOM 1937 CB ARG A 130 -15.141 8.459 -5.301 1.00 25.00 C ATOM 1938 CG ARG A 130 -15.168 6.974 -5.307 1.00 25.00 C ATOM 1939 CD ARG A 130 -16.122 6.625 -4.210 1.00 25.00 C ATOM 1940 NE ARG A 130 -16.278 5.171 -4.080 1.00 25.00 N ATOM 1941 CZ ARG A 130 -15.620 4.310 -3.317 1.00 25.00 C ATOM 1942 NH1 ARG A 130 -15.931 3.101 -3.415 1.00 25.00 N1+ ATOM 1943 NH2 ARG A 130 -14.644 4.641 -2.528 1.00 25.00 N ATOM 0 H ARG A 130 -15.835 8.141 -7.691 1.00 25.00 H new ATOM 0 HA ARG A 130 -14.229 10.129 -6.377 1.00 25.00 H new ATOM 0 HB2 ARG A 130 -14.718 8.803 -4.357 1.00 25.00 H new ATOM 0 HB3 ARG A 130 -16.164 8.833 -5.347 1.00 25.00 H new ATOM 0 HG2 ARG A 130 -15.505 6.585 -6.268 1.00 25.00 H new ATOM 0 HG3 ARG A 130 -14.178 6.556 -5.123 1.00 25.00 H new ATOM 0 HD2 ARG A 130 -15.764 7.040 -3.268 1.00 25.00 H new ATOM 0 HD3 ARG A 130 -17.092 7.080 -4.410 1.00 25.00 H new ATOM 0 HE ARG A 130 -17.004 4.760 -4.667 1.00 25.00 H new ATOM 0 HH11 ARG A 130 -16.665 2.814 -4.063 1.00 25.00 H new ATOM 0 HH12 ARG A 130 -15.451 2.403 -2.847 1.00 25.00 H new ATOM 0 HH21 ARG A 130 -14.343 5.614 -2.470 1.00 25.00 H new ATOM 0 HH22 ARG A 130 -14.178 3.928 -1.966 1.00 25.00 H new ATOM 1957 N ASN A 131 -12.500 7.941 -7.459 1.00 25.00 N ATOM 1958 CA ASN A 131 -11.161 7.255 -7.582 1.00 25.00 C ATOM 1959 C ASN A 131 -10.009 8.124 -7.286 1.00 25.00 C ATOM 1960 O ASN A 131 -10.060 9.323 -7.323 1.00 25.00 O ATOM 1961 CB ASN A 131 -11.088 6.608 -9.013 1.00 25.00 C ATOM 1962 CG ASN A 131 -11.872 5.330 -9.100 1.00 25.00 C ATOM 1963 OD1 ASN A 131 -12.421 4.821 -8.150 1.00 25.00 O ATOM 1964 ND2 ASN A 131 -11.946 4.837 -10.318 1.00 25.00 N ATOM 0 H ASN A 131 -13.031 7.958 -8.330 1.00 25.00 H new ATOM 0 HA ASN A 131 -11.090 6.483 -6.816 1.00 25.00 H new ATOM 0 HB2 ASN A 131 -11.468 7.316 -9.749 1.00 25.00 H new ATOM 0 HB3 ASN A 131 -10.047 6.411 -9.268 1.00 25.00 H new ATOM 0 HD21 ASN A 131 -12.485 3.989 -10.493 1.00 25.00 H new ATOM 0 HD22 ASN A 131 -11.465 5.303 -11.087 1.00 25.00 H new ATOM 1971 N LEU A 132 -8.852 7.536 -7.070 1.00 25.00 N ATOM 1972 CA LEU A 132 -7.580 8.194 -6.574 1.00 25.00 C ATOM 1973 C LEU A 132 -6.841 9.043 -7.685 1.00 25.00 C ATOM 1974 O LEU A 132 -5.589 9.225 -7.687 1.00 25.00 O ATOM 1975 CB LEU A 132 -6.687 7.213 -5.887 1.00 25.00 C ATOM 1976 CG LEU A 132 -6.198 7.324 -4.415 1.00 25.00 C ATOM 1977 CD1 LEU A 132 -5.531 8.595 -4.109 1.00 75.00 C ATOM 1978 CD2 LEU A 132 -7.306 7.093 -3.385 1.00 75.00 C ATOM 0 H LEU A 132 -8.727 6.537 -7.232 1.00 25.00 H new ATOM 0 HA LEU A 132 -7.878 8.925 -5.822 1.00 25.00 H new ATOM 0 HB2 LEU A 132 -7.189 6.249 -5.963 1.00 25.00 H new ATOM 0 HB3 LEU A 132 -5.786 7.152 -6.497 1.00 25.00 H new ATOM 0 HG LEU A 132 -5.468 6.519 -4.334 1.00 25.00 H new ATOM 0 HD11 LEU A 132 -5.218 8.599 -3.065 1.00 75.00 H new ATOM 0 HD12 LEU A 132 -4.657 8.711 -4.750 1.00 75.00 H new ATOM 0 HD13 LEU A 132 -6.222 9.420 -4.284 1.00 75.00 H new ATOM 0 HD21 LEU A 132 -6.894 7.185 -2.380 1.00 75.00 H new ATOM 0 HD22 LEU A 132 -8.093 7.835 -3.524 1.00 75.00 H new ATOM 0 HD23 LEU A 132 -7.722 6.094 -3.516 1.00 75.00 H new ATOM 1990 N SER A 133 -7.658 9.580 -8.586 1.00 25.00 N ATOM 1991 CA SER A 133 -7.276 10.551 -9.578 1.00 25.00 C ATOM 1992 C SER A 133 -8.038 11.792 -9.160 1.00 25.00 C ATOM 1993 O SER A 133 -9.157 11.712 -8.582 1.00 25.00 O ATOM 1994 CB SER A 133 -7.801 10.121 -10.963 1.00 25.00 C ATOM 1995 OG SER A 133 -7.522 11.125 -11.948 1.00 25.00 O ATOM 0 H SER A 133 -8.646 9.332 -8.638 1.00 25.00 H new ATOM 0 HA SER A 133 -6.196 10.682 -9.643 1.00 25.00 H new ATOM 0 HB2 SER A 133 -7.337 9.179 -11.256 1.00 25.00 H new ATOM 0 HB3 SER A 133 -8.875 9.945 -10.911 1.00 25.00 H new ATOM 0 HG SER A 133 -7.862 10.832 -12.819 1.00 25.00 H new ATOM 2001 N HIS A 134 -7.479 12.929 -9.444 1.00 25.00 N ATOM 2002 CA HIS A 134 -8.184 14.239 -9.381 1.00 25.00 C ATOM 2003 C HIS A 134 -7.647 15.149 -10.464 1.00 25.00 C ATOM 2004 O HIS A 134 -6.443 15.229 -10.628 1.00 25.00 O ATOM 2005 CB HIS A 134 -8.060 14.919 -7.970 1.00 25.00 C ATOM 2006 CG HIS A 134 -9.241 15.719 -7.575 1.00 25.00 C ATOM 2007 ND1 HIS A 134 -9.301 17.122 -7.491 1.00 25.00 N ATOM 2008 CD2 HIS A 134 -10.428 15.326 -7.070 1.00 25.00 C ATOM 2009 CE1 HIS A 134 -10.469 17.543 -7.029 1.00 25.00 C ATOM 2010 NE2 HIS A 134 -11.169 16.444 -6.686 1.00 25.00 N ATOM 0 H HIS A 134 -6.504 13.008 -9.734 1.00 25.00 H new ATOM 0 HA HIS A 134 -9.246 14.058 -9.545 1.00 25.00 H new ATOM 0 HB2 HIS A 134 -7.892 14.146 -7.220 1.00 25.00 H new ATOM 0 HB3 HIS A 134 -7.181 15.563 -7.966 1.00 25.00 H new ATOM 0 HD2 HIS A 134 -10.755 14.301 -6.977 1.00 25.00 H new ATOM 0 HE1 HIS A 134 -10.797 18.569 -6.944 1.00 25.00 H new ATOM 0 HE2 HIS A 134 -12.080 16.432 -6.227 1.00 25.00 H new ATOM 2018 N HIS A 135 -8.546 15.944 -11.068 1.00 25.00 N ATOM 2019 CA HIS A 135 -8.118 17.114 -11.845 1.00 25.00 C ATOM 2020 C HIS A 135 -7.716 18.175 -10.807 1.00 25.00 C ATOM 2021 O HIS A 135 -8.483 18.402 -9.951 1.00 25.00 O ATOM 2022 CB HIS A 135 -9.261 17.615 -12.706 1.00 25.00 C ATOM 2023 CG HIS A 135 -9.697 16.695 -13.826 1.00 25.00 C ATOM 2024 ND1 HIS A 135 -9.652 17.063 -15.178 1.00 25.00 N ATOM 2025 CD2 HIS A 135 -10.139 15.453 -13.826 1.00 25.00 C ATOM 2026 CE1 HIS A 135 -9.910 15.984 -15.914 1.00 25.00 C ATOM 2027 NE2 HIS A 135 -10.226 14.996 -15.094 1.00 25.00 N ATOM 0 H HIS A 135 -9.555 15.800 -11.034 1.00 25.00 H new ATOM 0 HA HIS A 135 -7.292 16.878 -12.516 1.00 25.00 H new ATOM 0 HB2 HIS A 135 -10.120 17.804 -12.062 1.00 25.00 H new ATOM 0 HB3 HIS A 135 -8.971 18.572 -13.140 1.00 25.00 H new ATOM 0 HD1 HIS A 135 -9.455 17.997 -15.536 1.00 25.00 H new ATOM 0 HD2 HIS A 135 -10.394 14.885 -12.943 1.00 25.00 H new ATOM 0 HE1 HIS A 135 -9.868 15.926 -16.992 1.00 25.00 H new ATOM 2035 N ILE A 136 -6.606 18.882 -10.958 1.00 25.00 N ATOM 2036 CA ILE A 136 -6.181 19.989 -10.131 1.00 25.00 C ATOM 2037 C ILE A 136 -5.833 21.118 -11.131 1.00 25.00 C ATOM 2038 O ILE A 136 -5.026 20.947 -12.038 1.00 25.00 O ATOM 2039 CB ILE A 136 -5.006 19.702 -9.162 1.00 25.00 C ATOM 2040 CG1 ILE A 136 -5.303 18.578 -8.115 1.00 25.00 C ATOM 2041 CG2 ILE A 136 -4.431 20.995 -8.481 1.00 25.00 C ATOM 2042 CD1 ILE A 136 -6.388 18.879 -7.102 1.00 25.00 C ATOM 0 H ILE A 136 -5.943 18.682 -11.707 1.00 25.00 H new ATOM 0 HA ILE A 136 -6.984 20.247 -9.440 1.00 25.00 H new ATOM 0 HB ILE A 136 -4.220 19.310 -9.807 1.00 25.00 H new ATOM 0 HG12 ILE A 136 -5.579 17.672 -8.654 1.00 25.00 H new ATOM 0 HG13 ILE A 136 -4.381 18.360 -7.576 1.00 25.00 H new ATOM 0 HG21 ILE A 136 -3.612 20.722 -7.816 1.00 25.00 H new ATOM 0 HG22 ILE A 136 -4.064 21.678 -9.248 1.00 25.00 H new ATOM 0 HG23 ILE A 136 -5.218 21.484 -7.906 1.00 25.00 H new ATOM 0 HD11 ILE A 136 -6.505 18.029 -6.430 1.00 25.00 H new ATOM 0 HD12 ILE A 136 -6.113 19.762 -6.525 1.00 25.00 H new ATOM 0 HD13 ILE A 136 -7.329 19.063 -7.621 1.00 25.00 H new ATOM 2054 N TYR A 137 -6.407 22.259 -10.826 1.00 25.00 N ATOM 2055 CA TYR A 137 -6.036 23.474 -11.517 1.00 25.00 C ATOM 2056 C TYR A 137 -4.885 24.213 -10.809 1.00 25.00 C ATOM 2057 O TYR A 137 -4.832 24.366 -9.580 1.00 25.00 O ATOM 2058 CB TYR A 137 -7.170 24.479 -11.580 1.00 25.00 C ATOM 2059 CG TYR A 137 -6.820 25.773 -12.250 1.00 25.00 C ATOM 2060 CD1 TYR A 137 -6.702 26.943 -11.501 1.00 50.00 C ATOM 2061 CD2 TYR A 137 -6.676 25.869 -13.647 1.00 50.00 C ATOM 2062 CE1 TYR A 137 -6.426 28.150 -12.038 1.00 25.00 C ATOM 2063 CE2 TYR A 137 -6.353 27.109 -14.254 1.00 25.00 C ATOM 2064 CZ TYR A 137 -6.230 28.223 -13.377 1.00 25.00 C ATOM 2065 OH TYR A 137 -6.030 29.475 -13.864 1.00 25.00 O ATOM 0 H TYR A 137 -7.126 22.372 -10.111 1.00 25.00 H new ATOM 0 HA TYR A 137 -5.750 23.138 -12.514 1.00 25.00 H new ATOM 0 HB2 TYR A 137 -8.010 24.027 -12.108 1.00 25.00 H new ATOM 0 HB3 TYR A 137 -7.508 24.690 -10.565 1.00 25.00 H new ATOM 0 HD1 TYR A 137 -6.839 26.880 -10.432 1.00 50.00 H new ATOM 0 HD2 TYR A 137 -6.813 24.991 -14.261 1.00 50.00 H new ATOM 0 HE1 TYR A 137 -6.363 29.032 -11.418 1.00 25.00 H new ATOM 0 HE2 TYR A 137 -6.209 27.203 -15.320 1.00 25.00 H new ATOM 0 HH TYR A 137 -5.897 29.431 -14.834 1.00 25.00 H new ATOM 2075 N ILE A 138 -3.915 24.665 -11.560 1.00 25.00 N ATOM 2076 CA ILE A 138 -2.768 25.410 -11.094 1.00 25.00 C ATOM 2077 C ILE A 138 -2.791 26.768 -11.736 1.00 25.00 C ATOM 2078 O ILE A 138 -2.589 26.909 -12.932 1.00 25.00 O ATOM 2079 CB ILE A 138 -1.360 24.712 -11.356 1.00 25.00 C ATOM 2080 CG1 ILE A 138 -1.271 23.282 -10.814 1.00 25.00 C ATOM 2081 CG2 ILE A 138 -0.149 25.505 -10.861 1.00 25.00 C ATOM 2082 CD1 ILE A 138 -0.033 22.513 -11.292 1.00 25.00 C ATOM 0 H ILE A 138 -3.901 24.517 -12.569 1.00 25.00 H new ATOM 0 HA ILE A 138 -2.857 25.469 -10.009 1.00 25.00 H new ATOM 0 HB ILE A 138 -1.316 24.682 -12.445 1.00 25.00 H new ATOM 0 HG12 ILE A 138 -1.267 23.316 -9.725 1.00 25.00 H new ATOM 0 HG13 ILE A 138 -2.165 22.734 -11.113 1.00 25.00 H new ATOM 0 HG21 ILE A 138 0.764 24.952 -11.083 1.00 25.00 H new ATOM 0 HG22 ILE A 138 -0.118 26.472 -11.362 1.00 25.00 H new ATOM 0 HG23 ILE A 138 -0.229 25.657 -9.785 1.00 25.00 H new ATOM 0 HD11 ILE A 138 -0.041 21.510 -10.866 1.00 25.00 H new ATOM 0 HD12 ILE A 138 -0.044 22.446 -12.380 1.00 25.00 H new ATOM 0 HD13 ILE A 138 0.867 23.037 -10.970 1.00 25.00 H new ATOM 2094 N PRO A 139 -3.086 27.910 -11.008 1.00 25.00 N ATOM 2095 CA PRO A 139 -2.755 29.202 -11.624 1.00 25.00 C ATOM 2096 C PRO A 139 -1.219 29.552 -11.620 1.00 25.00 C ATOM 2097 O PRO A 139 -0.519 29.262 -10.653 1.00 25.00 O ATOM 2098 CB PRO A 139 -3.601 30.204 -10.774 1.00 25.00 C ATOM 2099 CG PRO A 139 -3.614 29.561 -9.377 1.00 25.00 C ATOM 2100 CD PRO A 139 -3.628 28.050 -9.636 1.00 25.00 C ATOM 0 HA PRO A 139 -2.985 29.220 -12.689 1.00 25.00 H new ATOM 0 HB2 PRO A 139 -3.150 31.196 -10.756 1.00 25.00 H new ATOM 0 HB3 PRO A 139 -4.609 30.319 -11.173 1.00 25.00 H new ATOM 0 HG2 PRO A 139 -2.737 29.854 -8.799 1.00 25.00 H new ATOM 0 HG3 PRO A 139 -4.490 29.872 -8.807 1.00 25.00 H new ATOM 0 HD2 PRO A 139 -3.015 27.516 -8.910 1.00 25.00 H new ATOM 0 HD3 PRO A 139 -4.637 27.643 -9.563 1.00 25.00 H new ATOM 2108 N GLU A 140 -0.696 30.063 -12.706 1.00 25.00 N ATOM 2109 CA GLU A 140 0.718 30.332 -12.773 1.00 25.00 C ATOM 2110 C GLU A 140 0.960 31.486 -13.706 1.00 25.00 C ATOM 2111 O GLU A 140 0.815 31.303 -14.931 1.00 25.00 O ATOM 2112 CB GLU A 140 1.476 29.114 -13.182 1.00 25.00 C ATOM 2113 CG GLU A 140 2.921 29.280 -12.964 1.00 25.00 C ATOM 2114 CD GLU A 140 3.272 29.484 -11.524 1.00 25.00 C ATOM 2115 OE1 GLU A 140 3.719 30.653 -11.207 1.00 25.00 O ATOM 2116 OE2 GLU A 140 3.189 28.574 -10.655 1.00 25.00 O1- ATOM 0 H GLU A 140 -1.222 30.299 -13.548 1.00 25.00 H new ATOM 0 HA GLU A 140 1.082 30.607 -11.783 1.00 25.00 H new ATOM 0 HB2 GLU A 140 1.118 28.254 -12.616 1.00 25.00 H new ATOM 0 HB3 GLU A 140 1.288 28.903 -14.235 1.00 25.00 H new ATOM 0 HG2 GLU A 140 3.444 28.400 -13.339 1.00 25.00 H new ATOM 0 HG3 GLU A 140 3.275 30.132 -13.544 1.00 25.00 H new ATOM 2123 N ASP A 141 1.205 32.707 -13.211 1.00 25.00 N ATOM 2124 CA ASP A 141 1.545 33.929 -13.980 1.00 25.00 C ATOM 2125 C ASP A 141 2.998 34.213 -13.805 1.00 25.00 C ATOM 2126 O ASP A 141 3.530 35.257 -14.171 1.00 25.00 O ATOM 2127 CB ASP A 141 0.801 35.179 -13.419 1.00 25.00 C ATOM 2128 CG ASP A 141 1.232 35.655 -12.075 1.00 25.00 C ATOM 2129 OD1 ASP A 141 1.203 34.820 -11.119 1.00 50.00 O ATOM 2130 OD2 ASP A 141 1.580 36.838 -11.890 1.00 50.00 O1- ATOM 0 H ASP A 141 1.171 32.887 -12.208 1.00 25.00 H new ATOM 0 HA ASP A 141 1.265 33.753 -15.019 1.00 25.00 H new ATOM 0 HB2 ASP A 141 0.925 35.998 -14.128 1.00 25.00 H new ATOM 0 HB3 ASP A 141 -0.264 34.953 -13.376 1.00 25.00 H new ATOM 2135 N ARG A 142 3.736 33.282 -13.230 1.00 25.00 N ATOM 2136 CA ARG A 142 5.136 33.449 -12.863 1.00 25.00 C ATOM 2137 C ARG A 142 5.960 32.235 -13.332 1.00 25.00 C ATOM 2138 O ARG A 142 5.458 31.422 -14.075 1.00 25.00 O ATOM 2139 CB ARG A 142 5.298 33.690 -11.335 1.00 25.00 C ATOM 2140 CG ARG A 142 4.673 34.983 -10.839 1.00 25.00 C ATOM 2141 CD ARG A 142 5.225 35.434 -9.508 1.00 25.00 C ATOM 2142 NE ARG A 142 4.642 36.672 -8.975 1.00 25.00 N ATOM 2143 CZ ARG A 142 5.049 37.368 -7.916 1.00 25.00 C ATOM 2144 NH1 ARG A 142 4.462 38.533 -7.691 1.00 25.00 N1+ ATOM 2145 NH2 ARG A 142 6.035 36.999 -7.140 1.00 25.00 N ATOM 0 H ARG A 142 3.369 32.359 -12.997 1.00 25.00 H new ATOM 0 HA ARG A 142 5.518 34.336 -13.368 1.00 25.00 H new ATOM 0 HB2 ARG A 142 4.851 32.854 -10.797 1.00 25.00 H new ATOM 0 HB3 ARG A 142 6.360 33.695 -11.090 1.00 25.00 H new ATOM 0 HG2 ARG A 142 4.838 35.767 -11.579 1.00 25.00 H new ATOM 0 HG3 ARG A 142 3.595 34.849 -10.752 1.00 25.00 H new ATOM 0 HD2 ARG A 142 5.072 34.637 -8.781 1.00 25.00 H new ATOM 0 HD3 ARG A 142 6.302 35.572 -9.607 1.00 25.00 H new ATOM 0 HE ARG A 142 3.832 37.041 -9.474 1.00 25.00 H new ATOM 0 HH11 ARG A 142 3.729 38.864 -8.318 1.00 25.00 H new ATOM 0 HH12 ARG A 142 4.743 39.099 -6.891 1.00 25.00 H new ATOM 0 HH21 ARG A 142 6.539 36.133 -7.333 1.00 25.00 H new ATOM 0 HH22 ARG A 142 6.300 37.577 -6.342 1.00 25.00 H new ATOM 2159 N LEU A 143 7.238 32.163 -13.042 1.00 25.00 N ATOM 2160 CA LEU A 143 7.980 30.942 -13.329 1.00 25.00 C ATOM 2161 C LEU A 143 8.750 30.698 -12.068 1.00 25.00 C ATOM 2162 O LEU A 143 9.146 31.703 -11.461 1.00 25.00 O ATOM 2163 CB LEU A 143 8.955 31.008 -14.550 1.00 25.00 C ATOM 2164 CG LEU A 143 8.470 31.307 -16.021 1.00 25.00 C ATOM 2165 CD1 LEU A 143 8.042 32.754 -16.195 1.00 50.00 C ATOM 2166 CD2 LEU A 143 9.640 30.950 -16.958 1.00 50.00 C ATOM 0 H LEU A 143 7.783 32.913 -12.617 1.00 25.00 H new ATOM 0 HA LEU A 143 7.287 30.151 -13.614 1.00 25.00 H new ATOM 0 HB2 LEU A 143 9.701 31.766 -14.310 1.00 25.00 H new ATOM 0 HB3 LEU A 143 9.474 30.050 -14.584 1.00 25.00 H new ATOM 0 HG LEU A 143 7.589 30.710 -16.257 1.00 25.00 H new ATOM 0 HD11 LEU A 143 7.716 32.916 -17.222 1.00 50.00 H new ATOM 0 HD12 LEU A 143 7.220 32.975 -15.514 1.00 50.00 H new ATOM 0 HD13 LEU A 143 8.883 33.411 -15.974 1.00 50.00 H new ATOM 0 HD21 LEU A 143 9.350 31.141 -17.991 1.00 50.00 H new ATOM 0 HD22 LEU A 143 10.507 31.560 -16.706 1.00 50.00 H new ATOM 0 HD23 LEU A 143 9.891 29.896 -16.841 1.00 50.00 H new ATOM 2178 N GLY A 144 9.032 29.445 -11.704 1.00 25.00 N ATOM 2179 CA GLY A 144 9.798 29.125 -10.490 1.00 25.00 C ATOM 2180 C GLY A 144 9.501 27.901 -9.688 1.00 25.00 C ATOM 2181 O GLY A 144 8.475 27.264 -9.955 1.00 25.00 O ATOM 0 H GLY A 144 8.739 28.626 -12.237 1.00 25.00 H new ATOM 0 HA2 GLY A 144 10.847 29.068 -10.781 1.00 25.00 H new ATOM 0 HA3 GLY A 144 9.700 29.977 -9.818 1.00 25.00 H new ATOM 2185 N TYR A 145 10.317 27.636 -8.676 1.00 25.00 N ATOM 2186 CA TYR A 145 10.222 26.497 -7.786 1.00 25.00 C ATOM 2187 C TYR A 145 9.126 26.554 -6.747 1.00 25.00 C ATOM 2188 O TYR A 145 8.857 27.599 -6.061 1.00 25.00 O ATOM 2189 CB TYR A 145 11.584 26.481 -7.068 1.00 25.00 C ATOM 2190 CG TYR A 145 11.580 25.790 -5.699 1.00 25.00 C ATOM 2191 CD1 TYR A 145 11.504 26.550 -4.525 1.00 50.00 C ATOM 2192 CD2 TYR A 145 11.561 24.439 -5.617 1.00 50.00 C ATOM 2193 CE1 TYR A 145 11.591 25.904 -3.312 1.00 25.00 C ATOM 2194 CE2 TYR A 145 11.574 23.766 -4.416 1.00 25.00 C ATOM 2195 CZ TYR A 145 11.636 24.475 -3.212 1.00 25.00 C ATOM 2196 OH TYR A 145 11.619 23.822 -2.016 1.00 25.00 O ATOM 0 H TYR A 145 11.103 28.245 -8.446 1.00 25.00 H new ATOM 0 HA TYR A 145 9.977 25.612 -8.373 1.00 25.00 H new ATOM 0 HB2 TYR A 145 12.311 25.983 -7.709 1.00 25.00 H new ATOM 0 HB3 TYR A 145 11.924 27.509 -6.940 1.00 25.00 H new ATOM 0 HD1 TYR A 145 11.380 27.622 -4.570 1.00 50.00 H new ATOM 0 HD2 TYR A 145 11.535 23.865 -6.532 1.00 50.00 H new ATOM 0 HE1 TYR A 145 11.626 26.493 -2.407 1.00 25.00 H new ATOM 0 HE2 TYR A 145 11.536 22.687 -4.404 1.00 25.00 H new ATOM 0 HH TYR A 145 10.882 24.163 -1.468 1.00 25.00 H new ATOM 2206 N HIS A 146 8.432 25.435 -6.593 1.00 25.00 N ATOM 2207 CA HIS A 146 7.405 25.319 -5.517 1.00 25.00 C ATOM 2208 C HIS A 146 7.596 23.909 -4.991 1.00 25.00 C ATOM 2209 O HIS A 146 8.242 23.140 -5.691 1.00 25.00 O ATOM 2210 CB HIS A 146 6.059 25.460 -6.186 1.00 25.00 C ATOM 2211 CG HIS A 146 5.834 26.810 -6.817 1.00 25.00 C ATOM 2212 ND1 HIS A 146 6.143 27.303 -8.043 1.00 25.00 N flip ATOM 2213 CD2 HIS A 146 5.181 27.819 -6.166 1.00 25.00 C flip ATOM 2214 CE1 HIS A 146 5.632 28.584 -8.112 1.00 25.00 C flip ATOM 2215 NE2 HIS A 146 5.072 28.886 -6.981 1.00 25.00 N flip ATOM 0 H HIS A 146 8.542 24.603 -7.173 1.00 25.00 H new ATOM 0 HA HIS A 146 7.480 26.058 -4.720 1.00 25.00 H new ATOM 0 HB2 HIS A 146 5.961 24.690 -6.952 1.00 25.00 H new ATOM 0 HB3 HIS A 146 5.276 25.278 -5.449 1.00 25.00 H new ATOM 0 HD1 HIS A 146 6.658 26.817 -8.778 1.00 25.00 H new ATOM 0 HD2 HIS A 146 4.809 27.769 -5.153 1.00 25.00 H new ATOM 0 HE1 HIS A 146 5.689 29.233 -8.973 1.00 25.00 H new ATOM 2223 N VAL A 147 6.941 23.540 -3.943 1.00 25.00 N ATOM 2224 CA VAL A 147 6.876 22.125 -3.588 1.00 25.00 C ATOM 2225 C VAL A 147 5.392 21.842 -3.541 1.00 25.00 C ATOM 2226 O VAL A 147 4.633 22.715 -3.165 1.00 25.00 O ATOM 2227 CB VAL A 147 7.554 21.820 -2.214 1.00 25.00 C ATOM 2228 CG1 VAL A 147 7.367 20.446 -1.720 1.00 50.00 C ATOM 2229 CG2 VAL A 147 9.047 22.187 -2.270 1.00 50.00 C ATOM 0 H VAL A 147 6.444 24.170 -3.314 1.00 25.00 H new ATOM 0 HA VAL A 147 7.413 21.499 -4.300 1.00 25.00 H new ATOM 0 HB VAL A 147 7.040 22.447 -1.486 1.00 25.00 H new ATOM 0 HG11 VAL A 147 7.874 20.332 -0.762 1.00 50.00 H new ATOM 0 HG12 VAL A 147 6.303 20.246 -1.594 1.00 50.00 H new ATOM 0 HG13 VAL A 147 7.786 19.741 -2.438 1.00 50.00 H new ATOM 0 HG21 VAL A 147 9.511 21.971 -1.308 1.00 50.00 H new ATOM 0 HG22 VAL A 147 9.537 21.602 -3.049 1.00 50.00 H new ATOM 0 HG23 VAL A 147 9.153 23.249 -2.493 1.00 50.00 H new ATOM 2239 N ILE A 148 4.981 20.624 -3.868 1.00 25.00 N ATOM 2240 CA ILE A 148 3.546 20.242 -3.682 1.00 25.00 C ATOM 2241 C ILE A 148 3.735 19.142 -2.615 1.00 25.00 C ATOM 2242 O ILE A 148 4.687 18.399 -2.718 1.00 25.00 O ATOM 2243 CB ILE A 148 2.921 19.630 -4.978 1.00 25.00 C ATOM 2244 CG1 ILE A 148 2.987 20.564 -6.202 1.00 25.00 C ATOM 2245 CG2 ILE A 148 1.501 19.013 -4.718 1.00 25.00 C ATOM 2246 CD1 ILE A 148 2.500 19.897 -7.595 1.00 25.00 C ATOM 0 H ILE A 148 5.579 19.892 -4.251 1.00 25.00 H new ATOM 0 HA ILE A 148 2.882 21.068 -3.427 1.00 25.00 H new ATOM 0 HB ILE A 148 3.561 18.792 -5.255 1.00 25.00 H new ATOM 0 HG12 ILE A 148 2.374 21.443 -6.003 1.00 25.00 H new ATOM 0 HG13 ILE A 148 4.013 20.911 -6.321 1.00 25.00 H new ATOM 0 HG21 ILE A 148 1.108 18.601 -5.647 1.00 25.00 H new ATOM 0 HG22 ILE A 148 1.579 18.221 -3.974 1.00 25.00 H new ATOM 0 HG23 ILE A 148 0.829 19.789 -4.352 1.00 25.00 H new ATOM 0 HD11 ILE A 148 2.582 20.630 -8.398 1.00 25.00 H new ATOM 0 HD12 ILE A 148 3.127 19.035 -7.825 1.00 25.00 H new ATOM 0 HD13 ILE A 148 1.462 19.576 -7.502 1.00 25.00 H new ATOM 2258 N LEU A 149 2.919 19.087 -1.617 1.00 25.00 N ATOM 2259 CA LEU A 149 2.986 18.036 -0.594 1.00 25.00 C ATOM 2260 C LEU A 149 1.692 17.166 -0.527 1.00 25.00 C ATOM 2261 O LEU A 149 0.616 17.668 -0.527 1.00 25.00 O ATOM 2262 CB LEU A 149 3.134 18.814 0.726 1.00 25.00 C ATOM 2263 CG LEU A 149 3.370 18.097 2.066 1.00 25.00 C ATOM 2264 CD1 LEU A 149 3.682 19.193 2.990 1.00 50.00 C ATOM 2265 CD2 LEU A 149 2.164 17.378 2.737 1.00 50.00 C ATOM 0 H LEU A 149 2.172 19.764 -1.465 1.00 25.00 H new ATOM 0 HA LEU A 149 3.799 17.342 -0.807 1.00 25.00 H new ATOM 0 HB2 LEU A 149 3.962 19.510 0.591 1.00 25.00 H new ATOM 0 HB3 LEU A 149 2.230 19.412 0.843 1.00 25.00 H new ATOM 0 HG LEU A 149 4.110 17.321 1.870 1.00 25.00 H new ATOM 0 HD11 LEU A 149 3.869 18.788 3.985 1.00 50.00 H new ATOM 0 HD12 LEU A 149 4.569 19.722 2.641 1.00 50.00 H new ATOM 0 HD13 LEU A 149 2.840 19.884 3.032 1.00 50.00 H new ATOM 0 HD21 LEU A 149 2.487 16.921 3.672 1.00 50.00 H new ATOM 0 HD22 LEU A 149 1.376 18.103 2.941 1.00 50.00 H new ATOM 0 HD23 LEU A 149 1.783 16.606 2.068 1.00 50.00 H new ATOM 2277 N ALA A 150 1.821 15.831 -0.558 1.00 25.00 N ATOM 2278 CA ALA A 150 0.677 14.900 -0.631 1.00 25.00 C ATOM 2279 C ALA A 150 0.391 14.260 0.721 1.00 25.00 C ATOM 2280 O ALA A 150 1.347 13.856 1.401 1.00 25.00 O ATOM 2281 CB ALA A 150 1.031 13.804 -1.629 1.00 25.00 C ATOM 0 H ALA A 150 2.726 15.361 -0.533 1.00 25.00 H new ATOM 0 HA ALA A 150 -0.212 15.452 -0.937 1.00 25.00 H new ATOM 0 HB1 ALA A 150 0.203 13.099 -1.704 1.00 25.00 H new ATOM 0 HB2 ALA A 150 1.219 14.249 -2.606 1.00 25.00 H new ATOM 0 HB3 ALA A 150 1.924 13.279 -1.291 1.00 25.00 H new ATOM 2287 N VAL A 151 -0.870 14.183 1.148 1.00 25.00 N ATOM 2288 CA VAL A 151 -1.234 13.527 2.379 1.00 25.00 C ATOM 2289 C VAL A 151 -2.243 12.544 1.946 1.00 25.00 C ATOM 2290 O VAL A 151 -3.169 12.903 1.193 1.00 25.00 O ATOM 2291 CB VAL A 151 -1.746 14.512 3.410 1.00 25.00 C ATOM 2292 CG1 VAL A 151 -2.326 13.798 4.753 1.00 50.00 C ATOM 2293 CG2 VAL A 151 -0.647 15.523 3.734 1.00 50.00 C ATOM 0 H VAL A 151 -1.661 14.579 0.640 1.00 25.00 H new ATOM 0 HA VAL A 151 -0.396 13.050 2.887 1.00 25.00 H new ATOM 0 HB VAL A 151 -2.600 15.032 2.976 1.00 25.00 H new ATOM 0 HG11 VAL A 151 -2.676 14.561 5.449 1.00 50.00 H new ATOM 0 HG12 VAL A 151 -3.155 13.142 4.487 1.00 50.00 H new ATOM 0 HG13 VAL A 151 -1.536 13.212 5.224 1.00 50.00 H new ATOM 0 HG21 VAL A 151 -1.013 16.233 4.476 1.00 50.00 H new ATOM 0 HG22 VAL A 151 0.223 15.000 4.131 1.00 50.00 H new ATOM 0 HG23 VAL A 151 -0.366 16.058 2.827 1.00 50.00 H new ATOM 2303 N TRP A 152 -2.113 11.354 2.505 1.00 25.00 N ATOM 2304 CA TRP A 152 -3.090 10.266 2.195 1.00 25.00 C ATOM 2305 C TRP A 152 -3.318 9.570 3.549 1.00 25.00 C ATOM 2306 O TRP A 152 -2.416 9.075 4.193 1.00 25.00 O ATOM 2307 CB TRP A 152 -2.587 9.445 1.063 1.00 25.00 C ATOM 2308 CG TRP A 152 -3.576 8.333 0.640 1.00 25.00 C ATOM 2309 CD1 TRP A 152 -4.608 7.770 1.335 1.00 25.00 C ATOM 2310 CD2 TRP A 152 -3.422 7.543 -0.546 1.00 25.00 C ATOM 2311 NE1 TRP A 152 -5.029 6.630 0.732 1.00 25.00 N ATOM 2312 CE2 TRP A 152 -4.272 6.409 -0.399 1.00 25.00 C ATOM 2313 CE3 TRP A 152 -2.698 7.650 -1.738 1.00 25.00 C ATOM 2314 CZ2 TRP A 152 -4.369 5.424 -1.398 1.00 25.00 C ATOM 2315 CZ3 TRP A 152 -2.701 6.625 -2.714 1.00 25.00 C ATOM 2316 CH2 TRP A 152 -3.564 5.497 -2.531 1.00 25.00 C ATOM 0 H TRP A 152 -1.373 11.098 3.159 1.00 25.00 H new ATOM 0 HA TRP A 152 -4.063 10.585 1.820 1.00 25.00 H new ATOM 0 HB2 TRP A 152 -2.391 10.094 0.209 1.00 25.00 H new ATOM 0 HB3 TRP A 152 -1.637 8.991 1.344 1.00 25.00 H new ATOM 0 HD1 TRP A 152 -5.031 8.177 2.241 1.00 25.00 H new ATOM 0 HE1 TRP A 152 -5.786 6.031 1.063 1.00 25.00 H new ATOM 0 HE3 TRP A 152 -2.118 8.543 -1.919 1.00 25.00 H new ATOM 0 HZ2 TRP A 152 -5.069 4.610 -1.286 1.00 25.00 H new ATOM 0 HZ3 TRP A 152 -2.063 6.692 -3.583 1.00 25.00 H new ATOM 0 HH2 TRP A 152 -3.590 4.708 -3.268 1.00 25.00 H new ATOM 2327 N ASP A 153 -4.526 9.711 4.059 1.00 25.00 N ATOM 2328 CA ASP A 153 -4.952 9.220 5.384 1.00 25.00 C ATOM 2329 C ASP A 153 -5.640 7.925 4.992 1.00 25.00 C ATOM 2330 O ASP A 153 -6.306 7.881 3.931 1.00 25.00 O ATOM 2331 CB ASP A 153 -5.939 10.272 6.006 1.00 25.00 C ATOM 2332 CG ASP A 153 -5.278 11.569 6.399 1.00 25.00 C ATOM 2333 OD1 ASP A 153 -4.475 11.643 7.355 1.00 25.00 O ATOM 2334 OD2 ASP A 153 -5.597 12.559 5.720 1.00 25.00 O1- ATOM 0 H ASP A 153 -5.275 10.186 3.555 1.00 25.00 H new ATOM 0 HA ASP A 153 -4.172 9.073 6.131 1.00 25.00 H new ATOM 0 HB2 ASP A 153 -6.731 10.482 5.288 1.00 25.00 H new ATOM 0 HB3 ASP A 153 -6.413 9.836 6.885 1.00 25.00 H new ATOM 2339 N VAL A 154 -5.485 6.872 5.743 1.00 25.00 N ATOM 2340 CA VAL A 154 -6.000 5.574 5.351 1.00 25.00 C ATOM 2341 C VAL A 154 -6.859 5.075 6.453 1.00 25.00 C ATOM 2342 O VAL A 154 -6.780 5.487 7.568 1.00 25.00 O ATOM 2343 CB VAL A 154 -4.744 4.596 5.021 1.00 25.00 C ATOM 2344 CG1 VAL A 154 -3.837 5.165 3.980 1.00 50.00 C ATOM 2345 CG2 VAL A 154 -4.007 4.142 6.276 1.00 50.00 C ATOM 0 H VAL A 154 -5.002 6.880 6.641 1.00 25.00 H new ATOM 0 HA VAL A 154 -6.611 5.622 4.449 1.00 25.00 H new ATOM 0 HB VAL A 154 -5.165 3.690 4.586 1.00 25.00 H new ATOM 0 HG11 VAL A 154 -3.015 4.473 3.796 1.00 50.00 H new ATOM 0 HG12 VAL A 154 -4.395 5.319 3.056 1.00 50.00 H new ATOM 0 HG13 VAL A 154 -3.438 6.119 4.326 1.00 50.00 H new ATOM 0 HG21 VAL A 154 -3.178 3.492 5.996 1.00 50.00 H new ATOM 0 HG22 VAL A 154 -3.622 5.013 6.807 1.00 50.00 H new ATOM 0 HG23 VAL A 154 -4.693 3.597 6.924 1.00 50.00 H new ATOM 2355 N ALA A 155 -7.764 4.168 6.095 1.00 25.00 N ATOM 2356 CA ALA A 155 -8.744 3.694 7.042 1.00 25.00 C ATOM 2357 C ALA A 155 -8.093 2.583 7.930 1.00 25.00 C ATOM 2358 O ALA A 155 -8.525 2.377 9.029 1.00 25.00 O ATOM 2359 CB ALA A 155 -9.895 3.027 6.316 1.00 25.00 C ATOM 0 H ALA A 155 -7.832 3.756 5.164 1.00 25.00 H new ATOM 0 HA ALA A 155 -9.091 4.544 7.629 1.00 25.00 H new ATOM 0 HB1 ALA A 155 -10.627 2.674 7.042 1.00 25.00 H new ATOM 0 HB2 ALA A 155 -10.367 3.745 5.645 1.00 25.00 H new ATOM 0 HB3 ALA A 155 -9.520 2.182 5.738 1.00 25.00 H new ATOM 2365 N ASP A 156 -7.063 1.895 7.477 1.00 25.00 N ATOM 2366 CA ASP A 156 -6.534 0.714 8.196 1.00 25.00 C ATOM 2367 C ASP A 156 -5.903 1.004 9.508 1.00 25.00 C ATOM 2368 O ASP A 156 -5.938 0.149 10.400 1.00 25.00 O ATOM 2369 CB ASP A 156 -5.470 -0.031 7.355 1.00 25.00 C ATOM 2370 CG ASP A 156 -6.050 -0.879 6.316 1.00 25.00 C ATOM 2371 OD1 ASP A 156 -5.420 -1.008 5.234 1.00 25.00 O ATOM 2372 OD2 ASP A 156 -7.074 -1.505 6.552 1.00 25.00 O1- ATOM 0 H ASP A 156 -6.564 2.120 6.616 1.00 25.00 H new ATOM 0 HA ASP A 156 -7.425 0.110 8.367 1.00 25.00 H new ATOM 0 HB2 ASP A 156 -4.806 0.699 6.891 1.00 25.00 H new ATOM 0 HB3 ASP A 156 -4.858 -0.644 8.016 1.00 25.00 H new ATOM 2377 N THR A 157 -5.227 2.134 9.629 1.00 25.00 N ATOM 2378 CA THR A 157 -4.355 2.394 10.729 1.00 25.00 C ATOM 2379 C THR A 157 -4.622 3.809 11.212 1.00 25.00 C ATOM 2380 O THR A 157 -5.007 4.585 10.352 1.00 25.00 O ATOM 2381 CB THR A 157 -2.821 2.157 10.388 1.00 25.00 C ATOM 2382 OG1 THR A 157 -2.012 2.714 11.393 1.00 25.00 O ATOM 2383 CG2 THR A 157 -2.307 2.745 9.056 1.00 25.00 C ATOM 0 H THR A 157 -5.278 2.895 8.952 1.00 25.00 H new ATOM 0 HA THR A 157 -4.568 1.679 11.524 1.00 25.00 H new ATOM 0 HB THR A 157 -2.755 1.072 10.309 1.00 25.00 H new ATOM 0 HG1 THR A 157 -1.069 2.562 11.175 1.00 25.00 H new ATOM 0 HG21 THR A 157 -1.248 2.515 8.941 1.00 25.00 H new ATOM 0 HG22 THR A 157 -2.865 2.309 8.227 1.00 25.00 H new ATOM 0 HG23 THR A 157 -2.445 3.826 9.058 1.00 25.00 H new ATOM 2391 N GLU A 158 -4.279 4.188 12.445 1.00 25.00 N ATOM 2392 CA GLU A 158 -4.150 5.576 12.870 1.00 25.00 C ATOM 2393 C GLU A 158 -3.186 6.406 12.005 1.00 25.00 C ATOM 2394 O GLU A 158 -3.324 7.629 11.844 1.00 25.00 O ATOM 2395 CB GLU A 158 -3.690 5.607 14.293 1.00 25.00 C ATOM 2396 CG GLU A 158 -4.247 6.669 15.198 1.00 25.00 C ATOM 2397 CD GLU A 158 -5.748 6.561 15.578 1.00 25.00 C ATOM 2398 OE1 GLU A 158 -6.191 5.415 15.686 1.00 25.00 O ATOM 2399 OE2 GLU A 158 -6.403 7.545 15.849 1.00 25.00 O1- ATOM 0 H GLU A 158 -4.080 3.520 13.190 1.00 25.00 H new ATOM 0 HA GLU A 158 -5.134 6.032 12.757 1.00 25.00 H new ATOM 0 HB2 GLU A 158 -3.918 4.638 14.737 1.00 25.00 H new ATOM 0 HB3 GLU A 158 -2.605 5.709 14.290 1.00 25.00 H new ATOM 0 HG2 GLU A 158 -3.664 6.668 16.119 1.00 25.00 H new ATOM 0 HG3 GLU A 158 -4.088 7.636 14.722 1.00 25.00 H new ATOM 2406 N ASN A 159 -2.198 5.743 11.382 1.00 25.00 N ATOM 2407 CA ASN A 159 -1.200 6.439 10.564 1.00 25.00 C ATOM 2408 C ASN A 159 -1.801 6.902 9.264 1.00 25.00 C ATOM 2409 O ASN A 159 -2.804 6.362 8.755 1.00 25.00 O ATOM 2410 CB ASN A 159 0.125 5.606 10.325 1.00 25.00 C ATOM 2411 CG ASN A 159 0.924 5.401 11.573 1.00 25.00 C ATOM 2412 OD1 ASN A 159 0.769 6.167 12.516 1.00 25.00 O ATOM 2413 ND2 ASN A 159 1.706 4.308 11.622 1.00 25.00 N ATOM 0 H ASN A 159 -2.072 4.732 11.431 1.00 25.00 H new ATOM 0 HA ASN A 159 -0.894 7.313 11.139 1.00 25.00 H new ATOM 0 HB2 ASN A 159 -0.135 4.635 9.904 1.00 25.00 H new ATOM 0 HB3 ASN A 159 0.741 6.119 9.587 1.00 25.00 H new ATOM 0 HD21 ASN A 159 2.210 4.079 12.479 1.00 25.00 H new ATOM 0 HD22 ASN A 159 1.795 3.708 10.802 1.00 25.00 H new ATOM 2420 N ALA A 160 -1.065 7.832 8.648 1.00 25.00 N ATOM 2421 CA ALA A 160 -1.335 8.364 7.328 1.00 25.00 C ATOM 2422 C ALA A 160 0.000 8.227 6.574 1.00 25.00 C ATOM 2423 O ALA A 160 0.953 7.694 7.100 1.00 25.00 O ATOM 2424 CB ALA A 160 -1.750 9.826 7.438 1.00 25.00 C ATOM 0 H ALA A 160 -0.237 8.244 9.079 1.00 25.00 H new ATOM 0 HA ALA A 160 -2.144 7.843 6.817 1.00 25.00 H new ATOM 0 HB1 ALA A 160 -1.952 10.223 6.443 1.00 25.00 H new ATOM 0 HB2 ALA A 160 -2.649 9.904 8.049 1.00 25.00 H new ATOM 0 HB3 ALA A 160 -0.946 10.399 7.900 1.00 25.00 H new ATOM 2430 N PHE A 161 0.055 8.722 5.334 1.00 25.00 N ATOM 2431 CA PHE A 161 1.321 8.853 4.569 1.00 25.00 C ATOM 2432 C PHE A 161 1.505 10.341 4.157 1.00 25.00 C ATOM 2433 O PHE A 161 0.514 10.989 3.849 1.00 25.00 O ATOM 2434 CB PHE A 161 1.131 7.993 3.348 1.00 25.00 C ATOM 2435 CG PHE A 161 1.155 6.522 3.668 1.00 25.00 C ATOM 2436 CD1 PHE A 161 -0.046 5.743 3.625 1.00 50.00 C ATOM 2437 CD2 PHE A 161 2.350 5.869 4.143 1.00 50.00 C ATOM 2438 CE1 PHE A 161 0.006 4.380 3.974 1.00 25.00 C ATOM 2439 CE2 PHE A 161 2.324 4.501 4.496 1.00 25.00 C ATOM 2440 CZ PHE A 161 1.184 3.752 4.429 1.00 25.00 C ATOM 0 H PHE A 161 -0.768 9.045 4.825 1.00 25.00 H new ATOM 0 HA PHE A 161 2.198 8.550 5.141 1.00 25.00 H new ATOM 0 HB2 PHE A 161 0.181 8.243 2.876 1.00 25.00 H new ATOM 0 HB3 PHE A 161 1.915 8.217 2.625 1.00 25.00 H new ATOM 0 HD1 PHE A 161 -0.981 6.196 3.328 1.00 50.00 H new ATOM 0 HD2 PHE A 161 3.270 6.429 4.229 1.00 50.00 H new ATOM 0 HE1 PHE A 161 -0.895 3.790 3.890 1.00 25.00 H new ATOM 0 HE2 PHE A 161 3.237 4.031 4.830 1.00 25.00 H new ATOM 0 HZ PHE A 161 1.185 2.711 4.716 1.00 25.00 H new ATOM 2450 N TYR A 162 2.741 10.805 4.103 1.00 25.00 N ATOM 2451 CA TYR A 162 3.076 12.186 3.659 1.00 25.00 C ATOM 2452 C TYR A 162 4.293 12.055 2.665 1.00 25.00 C ATOM 2453 O TYR A 162 5.205 11.437 3.066 1.00 25.00 O ATOM 2454 CB TYR A 162 3.539 13.060 4.839 1.00 25.00 C ATOM 2455 CG TYR A 162 2.632 13.076 6.056 1.00 25.00 C ATOM 2456 CD1 TYR A 162 3.165 13.002 7.364 1.00 50.00 C ATOM 2457 CD2 TYR A 162 1.233 13.146 5.987 1.00 50.00 C ATOM 2458 CE1 TYR A 162 2.295 12.929 8.513 1.00 25.00 C ATOM 2459 CE2 TYR A 162 0.368 13.047 7.120 1.00 25.00 C ATOM 2460 CZ TYR A 162 0.936 12.960 8.388 1.00 25.00 C ATOM 2461 OH TYR A 162 0.192 12.950 9.530 1.00 25.00 O ATOM 0 H TYR A 162 3.556 10.250 4.362 1.00 25.00 H new ATOM 0 HA TYR A 162 2.196 12.646 3.208 1.00 25.00 H new ATOM 0 HB2 TYR A 162 4.526 12.719 5.152 1.00 25.00 H new ATOM 0 HB3 TYR A 162 3.653 14.084 4.483 1.00 25.00 H new ATOM 0 HD1 TYR A 162 4.236 13.000 7.505 1.00 50.00 H new ATOM 0 HD2 TYR A 162 0.781 13.283 5.016 1.00 50.00 H new ATOM 0 HE1 TYR A 162 2.731 12.848 9.498 1.00 25.00 H new ATOM 0 HE2 TYR A 162 -0.705 13.040 6.995 1.00 25.00 H new ATOM 0 HH TYR A 162 -0.760 12.976 9.300 1.00 25.00 H new ATOM 2471 N GLN A 163 4.327 12.731 1.517 1.00 25.00 N ATOM 2472 CA GLN A 163 5.541 12.921 0.753 1.00 25.00 C ATOM 2473 C GLN A 163 5.476 14.301 0.115 1.00 25.00 C ATOM 2474 O GLN A 163 4.498 15.017 0.208 1.00 25.00 O ATOM 2475 CB GLN A 163 5.745 11.786 -0.268 1.00 25.00 C ATOM 2476 CG GLN A 163 4.544 11.612 -1.301 1.00 25.00 C ATOM 2477 CD GLN A 163 4.828 10.530 -2.273 1.00 25.00 C ATOM 2478 OE1 GLN A 163 5.310 9.465 -1.926 1.00 25.00 O ATOM 2479 NE2 GLN A 163 4.618 10.767 -3.547 1.00 25.00 N ATOM 0 H GLN A 163 3.504 13.161 1.096 1.00 25.00 H new ATOM 0 HA GLN A 163 6.417 12.876 1.401 1.00 25.00 H new ATOM 0 HB2 GLN A 163 6.663 11.974 -0.824 1.00 25.00 H new ATOM 0 HB3 GLN A 163 5.885 10.849 0.271 1.00 25.00 H new ATOM 0 HG2 GLN A 163 3.625 11.387 -0.760 1.00 25.00 H new ATOM 0 HG3 GLN A 163 4.379 12.549 -1.833 1.00 25.00 H new ATOM 0 HE21 GLN A 163 4.215 11.657 -3.841 1.00 25.00 H new ATOM 0 HE22 GLN A 163 4.858 10.061 -4.243 1.00 25.00 H new ATOM 2488 N VAL A 164 6.582 14.748 -0.510 1.00 25.00 N ATOM 2489 CA VAL A 164 6.704 16.031 -1.144 1.00 25.00 C ATOM 2490 C VAL A 164 7.196 15.788 -2.578 1.00 25.00 C ATOM 2491 O VAL A 164 7.902 14.757 -2.817 1.00 25.00 O ATOM 2492 CB VAL A 164 7.656 16.993 -0.397 1.00 25.00 C ATOM 2493 CG1 VAL A 164 7.121 17.436 0.972 1.00 75.00 C ATOM 2494 CG2 VAL A 164 9.021 16.299 -0.228 1.00 75.00 C ATOM 0 H VAL A 164 7.433 14.190 -0.578 1.00 25.00 H new ATOM 0 HA VAL A 164 5.731 16.522 -1.133 1.00 25.00 H new ATOM 0 HB VAL A 164 7.746 17.899 -0.996 1.00 25.00 H new ATOM 0 HG11 VAL A 164 7.838 18.109 1.442 1.00 75.00 H new ATOM 0 HG12 VAL A 164 6.170 17.952 0.841 1.00 75.00 H new ATOM 0 HG13 VAL A 164 6.975 16.561 1.606 1.00 75.00 H new ATOM 0 HG21 VAL A 164 9.705 16.965 0.298 1.00 75.00 H new ATOM 0 HG22 VAL A 164 8.894 15.382 0.347 1.00 75.00 H new ATOM 0 HG23 VAL A 164 9.431 16.059 -1.209 1.00 75.00 H new ATOM 2504 N ILE A 165 6.783 16.616 -3.478 1.00 25.00 N ATOM 2505 CA ILE A 165 7.302 16.458 -4.849 1.00 25.00 C ATOM 2506 C ILE A 165 7.763 17.863 -5.217 1.00 25.00 C ATOM 2507 O ILE A 165 7.047 18.888 -5.117 1.00 25.00 O ATOM 2508 CB ILE A 165 6.229 15.949 -5.865 1.00 25.00 C ATOM 2509 CG1 ILE A 165 5.856 14.471 -5.605 1.00 25.00 C ATOM 2510 CG2 ILE A 165 6.797 16.021 -7.345 1.00 25.00 C ATOM 2511 CD1 ILE A 165 6.925 13.346 -5.747 1.00 25.00 C ATOM 0 H ILE A 165 6.123 17.380 -3.331 1.00 25.00 H new ATOM 0 HA ILE A 165 8.089 15.705 -4.890 1.00 25.00 H new ATOM 0 HB ILE A 165 5.354 16.586 -5.740 1.00 25.00 H new ATOM 0 HG12 ILE A 165 5.462 14.413 -4.591 1.00 25.00 H new ATOM 0 HG13 ILE A 165 5.037 14.223 -6.280 1.00 25.00 H new ATOM 0 HG21 ILE A 165 6.040 15.664 -8.043 1.00 25.00 H new ATOM 0 HG22 ILE A 165 7.055 17.052 -7.586 1.00 25.00 H new ATOM 0 HG23 ILE A 165 7.687 15.397 -7.424 1.00 25.00 H new ATOM 0 HD11 ILE A 165 6.470 12.381 -5.524 1.00 25.00 H new ATOM 0 HD12 ILE A 165 7.312 13.338 -6.766 1.00 25.00 H new ATOM 0 HD13 ILE A 165 7.743 13.531 -5.050 1.00 25.00 H new ATOM 2523 N ASP A 166 9.047 17.987 -5.565 1.00 25.00 N ATOM 2524 CA ASP A 166 9.649 19.263 -5.763 1.00 25.00 C ATOM 2525 C ASP A 166 9.376 19.610 -7.205 1.00 25.00 C ATOM 2526 O ASP A 166 9.645 18.815 -8.093 1.00 25.00 O ATOM 2527 CB ASP A 166 11.173 19.043 -5.589 1.00 25.00 C ATOM 2528 CG ASP A 166 11.978 20.286 -5.707 1.00 25.00 C ATOM 2529 OD1 ASP A 166 11.636 21.344 -6.322 1.00 25.00 O ATOM 2530 OD2 ASP A 166 13.140 20.229 -5.168 1.00 25.00 O1- ATOM 0 H ASP A 166 9.676 17.197 -5.711 1.00 25.00 H new ATOM 0 HA ASP A 166 9.285 20.037 -5.087 1.00 25.00 H new ATOM 0 HB2 ASP A 166 11.356 18.594 -4.613 1.00 25.00 H new ATOM 0 HB3 ASP A 166 11.515 18.328 -6.337 1.00 25.00 H new ATOM 2535 N VAL A 167 8.750 20.745 -7.481 1.00 25.00 N ATOM 2536 CA VAL A 167 8.316 21.070 -8.855 1.00 25.00 C ATOM 2537 C VAL A 167 8.809 22.428 -9.321 1.00 25.00 C ATOM 2538 O VAL A 167 9.115 23.273 -8.454 1.00 25.00 O ATOM 2539 CB VAL A 167 6.813 20.994 -9.023 1.00 25.00 C ATOM 2540 CG1 VAL A 167 6.257 19.562 -8.840 1.00 50.00 C ATOM 2541 CG2 VAL A 167 6.126 22.027 -8.050 1.00 50.00 C ATOM 0 H VAL A 167 8.527 21.458 -6.787 1.00 25.00 H new ATOM 0 HA VAL A 167 8.774 20.305 -9.482 1.00 25.00 H new ATOM 0 HB VAL A 167 6.573 21.262 -10.052 1.00 25.00 H new ATOM 0 HG11 VAL A 167 5.175 19.572 -8.972 1.00 50.00 H new ATOM 0 HG12 VAL A 167 6.707 18.900 -9.580 1.00 50.00 H new ATOM 0 HG13 VAL A 167 6.497 19.204 -7.839 1.00 50.00 H new ATOM 0 HG21 VAL A 167 5.044 21.975 -8.169 1.00 50.00 H new ATOM 0 HG22 VAL A 167 6.390 21.788 -7.020 1.00 50.00 H new ATOM 0 HG23 VAL A 167 6.469 23.034 -8.288 1.00 50.00 H new ATOM 2551 N ASP A 168 8.933 22.622 -10.621 1.00 25.00 N ATOM 2552 CA ASP A 168 9.315 23.905 -11.141 1.00 25.00 C ATOM 2553 C ASP A 168 8.019 24.171 -11.897 1.00 25.00 C ATOM 2554 O ASP A 168 7.485 23.291 -12.543 1.00 25.00 O ATOM 2555 CB ASP A 168 10.494 23.682 -12.128 1.00 25.00 C ATOM 2556 CG ASP A 168 11.085 24.981 -12.720 1.00 25.00 C ATOM 2557 OD1 ASP A 168 10.789 26.116 -12.328 1.00 25.00 O ATOM 2558 OD2 ASP A 168 12.028 24.840 -13.489 1.00 25.00 O1- ATOM 0 H ASP A 168 8.773 21.904 -11.328 1.00 25.00 H new ATOM 0 HA ASP A 168 9.637 24.682 -10.448 1.00 25.00 H new ATOM 0 HB2 ASP A 168 11.286 23.139 -11.612 1.00 25.00 H new ATOM 0 HB3 ASP A 168 10.152 23.047 -12.945 1.00 25.00 H new ATOM 2563 N LEU A 169 7.405 25.346 -11.729 1.00 25.00 N ATOM 2564 CA LEU A 169 6.083 25.611 -12.265 1.00 25.00 C ATOM 2565 C LEU A 169 6.205 26.823 -13.127 1.00 25.00 C ATOM 2566 O LEU A 169 6.785 27.811 -12.604 1.00 25.00 O ATOM 2567 CB LEU A 169 5.025 25.852 -11.192 1.00 25.00 C ATOM 2568 CG LEU A 169 4.609 24.610 -10.306 1.00 25.00 C ATOM 2569 CD1 LEU A 169 3.531 25.097 -9.265 1.00 50.00 C ATOM 2570 CD2 LEU A 169 4.132 23.299 -11.041 1.00 50.00 C ATOM 0 H LEU A 169 7.814 26.130 -11.220 1.00 25.00 H new ATOM 0 HA LEU A 169 5.749 24.733 -12.817 1.00 25.00 H new ATOM 0 HB2 LEU A 169 5.388 26.636 -10.528 1.00 25.00 H new ATOM 0 HB3 LEU A 169 4.129 26.236 -11.679 1.00 25.00 H new ATOM 0 HG LEU A 169 5.534 24.274 -9.838 1.00 25.00 H new ATOM 0 HD11 LEU A 169 3.225 24.259 -8.639 1.00 50.00 H new ATOM 0 HD12 LEU A 169 3.958 25.881 -8.639 1.00 50.00 H new ATOM 0 HD13 LEU A 169 2.663 25.489 -9.796 1.00 50.00 H new ATOM 0 HD21 LEU A 169 3.882 22.538 -10.302 1.00 50.00 H new ATOM 0 HD22 LEU A 169 3.253 23.520 -11.646 1.00 50.00 H new ATOM 0 HD23 LEU A 169 4.931 22.931 -11.684 1.00 50.00 H new ATOM 2582 N VAL A 170 5.720 26.740 -14.358 1.00 25.00 N ATOM 2583 CA VAL A 170 5.916 27.936 -15.287 1.00 25.00 C ATOM 2584 C VAL A 170 4.598 28.421 -15.884 1.00 25.00 C ATOM 2585 O VAL A 170 3.622 27.743 -16.043 1.00 25.00 O ATOM 2586 CB VAL A 170 6.914 27.506 -16.454 1.00 25.00 C ATOM 2587 CG1 VAL A 170 8.262 26.985 -15.811 1.00 50.00 C ATOM 2588 CG2 VAL A 170 6.351 26.448 -17.419 1.00 50.00 C ATOM 0 H VAL A 170 5.221 25.942 -14.751 1.00 25.00 H new ATOM 0 HA VAL A 170 6.328 28.763 -14.708 1.00 25.00 H new ATOM 0 HB VAL A 170 7.080 28.395 -17.062 1.00 25.00 H new ATOM 0 HG11 VAL A 170 8.951 26.688 -16.601 1.00 50.00 H new ATOM 0 HG12 VAL A 170 8.712 27.780 -15.216 1.00 50.00 H new ATOM 0 HG13 VAL A 170 8.053 26.127 -15.172 1.00 50.00 H new ATOM 0 HG21 VAL A 170 7.096 26.216 -18.180 1.00 50.00 H new ATOM 0 HG22 VAL A 170 6.105 25.543 -16.864 1.00 50.00 H new ATOM 0 HG23 VAL A 170 5.452 26.835 -17.898 1.00 50.00 H new ATOM 2598 N ASN A 171 4.572 29.649 -16.333 1.00 25.00 N ATOM 2599 CA ASN A 171 3.387 30.164 -17.040 1.00 25.00 C ATOM 2600 C ASN A 171 3.307 29.475 -18.395 1.00 25.00 C ATOM 2601 O ASN A 171 4.293 29.335 -19.079 1.00 25.00 O ATOM 2602 CB ASN A 171 3.577 31.676 -17.143 1.00 25.00 C ATOM 2603 CG ASN A 171 2.349 32.484 -17.512 1.00 25.00 C ATOM 2604 OD1 ASN A 171 1.396 31.956 -18.013 1.00 25.00 O ATOM 2605 ND2 ASN A 171 2.432 33.734 -17.357 1.00 25.00 N ATOM 0 H ASN A 171 5.337 30.317 -16.233 1.00 25.00 H new ATOM 0 HA ASN A 171 2.446 29.963 -16.527 1.00 25.00 H new ATOM 0 HB2 ASN A 171 3.951 32.040 -16.186 1.00 25.00 H new ATOM 0 HB3 ASN A 171 4.352 31.874 -17.884 1.00 25.00 H new ATOM 0 HD21 ASN A 171 1.669 34.338 -17.663 1.00 25.00 H new ATOM 0 HD22 ASN A 171 3.262 34.140 -16.926 1.00 25.00 H new ATOM 2612 N LYS A 172 2.129 28.978 -18.710 1.00 25.00 N ATOM 2613 CA LYS A 172 1.934 28.116 -19.902 1.00 25.00 C ATOM 2614 C LYS A 172 2.140 28.683 -21.316 1.00 25.00 C ATOM 2615 O LYS A 172 2.050 29.951 -21.466 1.00 25.00 O ATOM 2616 CB LYS A 172 0.562 27.419 -19.778 1.00 25.00 C ATOM 2617 CG LYS A 172 -0.685 28.297 -20.009 1.00 25.00 C ATOM 2618 CD LYS A 172 -2.010 27.471 -19.707 1.00 25.00 C ATOM 2619 CE LYS A 172 -3.301 28.255 -19.851 1.00 25.00 C ATOM 2620 NZ LYS A 172 -4.460 27.504 -19.592 1.00 25.00 N1+ ATOM 2621 OXT LYS A 172 2.284 27.907 -22.247 1.00 25.00 O1- ATOM 0 H LYS A 172 1.280 29.145 -18.170 1.00 25.00 H new ATOM 0 HA LYS A 172 2.784 27.436 -19.853 1.00 25.00 H new ATOM 0 HB2 LYS A 172 0.534 26.594 -20.490 1.00 25.00 H new ATOM 0 HB3 LYS A 172 0.491 26.983 -18.782 1.00 25.00 H new ATOM 0 HG2 LYS A 172 -0.643 29.176 -19.366 1.00 25.00 H new ATOM 0 HG3 LYS A 172 -0.699 28.656 -21.038 1.00 25.00 H new ATOM 0 HD2 LYS A 172 -2.047 26.613 -20.379 1.00 25.00 H new ATOM 0 HD3 LYS A 172 -1.952 27.079 -18.692 1.00 25.00 H new ATOM 0 HE2 LYS A 172 -3.274 29.107 -19.172 1.00 25.00 H new ATOM 0 HE3 LYS A 172 -3.359 28.656 -20.863 1.00 25.00 H new ATOM 0 HZ1 LYS A 172 -5.299 28.108 -19.711 1.00 25.00 H new ATOM 0 HZ2 LYS A 172 -4.512 26.705 -20.256 1.00 25.00 H new ATOM 0 HZ3 LYS A 172 -4.429 27.143 -18.617 1.00 25.00 H new