USER MOD reduce.3.24.130724 H: found=0, std=0, add=1283, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1280 hydrogens (30 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 NoAdj-H: A 93 HIS HE2 : A 93 HIS NE2 : A 154 HEMFE :(H bumps) USER MOD Set 1.1: A 97 HIS : no HD1:sc= 0.0994 K(o=-0.5,f=-4.4!) USER MOD Set 1.2: A 154 HEM CMD :methyl 150:sc= -0.598 (180deg=-0.598) USER MOD Set 2.1: A 113 HIS :FLIP no HD1:sc= -0.287 F(o=-0.28,f=0.76) USER MOD Set 2.2: A 117 SER OG : rot -75:sc= 1.04 USER MOD Set 3.1: A 91 GLN : amide:sc= 0.659 K(o=4.3,f=-3.2!) USER MOD Set 3.2: A 95 THR OG1 : rot -173:sc= 1.99 USER MOD Set 3.3: A 152 GLN : amide:sc= 1.61 K(o=4.3,f=-1.4) USER MOD Set 4.1: A 63 LYS NZ :NH3+ 160:sc= 0.682 (180deg=-0.105) USER MOD Set 4.2: A 67 THR OG1 : rot 80:sc= 1.73 USER MOD Set 5.1: A 42 LYS NZ :NH3+ 172:sc= 1.05 (180deg=0.936) USER MOD Set 5.2: A 103 TYR OH : rot -165:sc= -0.487 USER MOD Set 6.1: A 35 SER OG : rot -116:sc= 0.413 USER MOD Set 6.2: A 36 HIS : no HD1:sc= -1.04 X(o=-0.63,f=-0.45) USER MOD Set 7.1: A 24 HIS : no HE2:sc= -3.29! C(o=-2.6!,f=-15!) USER MOD Set 7.2: A 119 HIS : no HD1:sc= 0.671 K(o=-2.6,f=-13!) USER MOD Set 8.1: A 8 GLN :FLIP amide:sc= 1.23 F(o=1.2,f=2.1) USER MOD Set 8.2: A 12 HIS : no HE2:sc= 0.885 K(o=2.1,f=-5!) USER MOD Single : A 1 VAL N :NH3+ 179:sc= -0.465 (180deg=-0.471) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -105:sc= 0.457 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0.456 K(o=0.46,f=-5.2!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot -54:sc= 1.19 USER MOD Single : A 47 LYS NZ :NH3+ -149:sc= 0.566 (180deg=0.141) USER MOD Single : A 48 HIS : no HE2:sc= -0.198 K(o=-0.2,f=-3.1!) USER MOD Single : A 50 LYS NZ :NH3+ -177:sc= 1.06 (180deg=1.05) USER MOD Single : A 51 THR OG1 : rot 145:sc= 1.39 USER MOD Single : A 55 MET CE :methyl 155:sc= -0.393 (180deg=-1.42) USER MOD Single : A 56 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0788) USER MOD Single : A 58 SER OG : rot 180:sc= 0.305 USER MOD Single : A 62 LYS NZ :NH3+ -119:sc= 1.14 (180deg=-0.131) USER MOD Single : A 64 HIS : no HD1:sc= -0.614 K(o=-0.61,f=-2.1) USER MOD Single : A 70 THR OG1 : rot 89:sc= 1.21 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 166:sc= -0.0174 (180deg=-0.216) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc= 0.503 K(o=0.5,f=-3.5!) USER MOD Single : A 82 HIS : no HD1:sc= -0.363 K(o=-0.36,f=-1) USER MOD Single : A 87 LYS NZ :NH3+ 155:sc= -0.139 (180deg=-0.904) USER MOD Single : A 92 SER OG : rot 137:sc= 1.2 USER MOD Single : A 96 LYS NZ :NH3+ -166:sc= 0.741 (180deg=0.634) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot -71:sc= 0.0102 USER MOD Single : A 116 HIS : no HE2:sc= -0.167 K(o=-0.17,f=-2.6!) USER MOD Single : A 128 GLN : amide:sc= 1.14 K(o=1.1,f=-0.7) USER MOD Single : A 131 MET CE :methyl 144:sc= -0.0384 (180deg=-0.133) USER MOD Single : A 132 ASN : amide:sc= 1.11 K(o=1.1,f=0) USER MOD Single : A 133 LYS NZ :NH3+ -174:sc= 0.317 (180deg=0.271) USER MOD Single : A 140 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00881) USER MOD Single : A 145 LYS NZ :NH3+ 166:sc= 0.0434 (180deg=-0.0835) USER MOD Single : A 146 TYR OH : rot -170:sc= 1.2 USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 151 TYR OH : rot 180:sc= 0 USER MOD Single : A 154 HEM CMA :methyl 150:sc= -0.145 (180deg=-0.145) USER MOD Single : A 154 HEM CMB :methyl 150:sc= -0.137 (180deg=-0.137) USER MOD Single : A 154 HEM CMC :methyl -30:sc= -1.25 (180deg=-5!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 17.914 2.562 4.861 1.00 0.00 N ATOM 2 CA VAL A 1 18.016 1.858 3.597 1.00 0.00 C ATOM 3 C VAL A 1 18.159 0.361 3.878 1.00 0.00 C ATOM 4 O VAL A 1 18.380 -0.027 5.025 1.00 0.00 O ATOM 5 CB VAL A 1 19.188 2.406 2.760 1.00 0.00 C ATOM 6 CG1 VAL A 1 18.916 3.854 2.331 1.00 0.00 C ATOM 7 CG2 VAL A 1 20.530 2.330 3.505 1.00 0.00 C ATOM 0 H1 VAL A 1 17.833 3.584 4.684 1.00 0.00 H new ATOM 0 H2 VAL A 1 17.072 2.232 5.375 1.00 0.00 H new ATOM 0 H3 VAL A 1 18.763 2.376 5.432 1.00 0.00 H new ATOM 0 HA VAL A 1 17.113 2.016 3.007 1.00 0.00 H new ATOM 0 HB VAL A 1 19.264 1.771 1.877 1.00 0.00 H new ATOM 0 HG11 VAL A 1 19.755 4.222 1.741 1.00 0.00 H new ATOM 0 HG12 VAL A 1 18.007 3.891 1.731 1.00 0.00 H new ATOM 0 HG13 VAL A 1 18.792 4.479 3.216 1.00 0.00 H new ATOM 0 HG21 VAL A 1 21.322 2.729 2.870 1.00 0.00 H new ATOM 0 HG22 VAL A 1 20.471 2.916 4.422 1.00 0.00 H new ATOM 0 HG23 VAL A 1 20.751 1.291 3.751 1.00 0.00 H new ATOM 19 N LEU A 2 18.059 -0.458 2.830 1.00 0.00 N ATOM 20 CA LEU A 2 18.202 -1.904 2.894 1.00 0.00 C ATOM 21 C LEU A 2 19.151 -2.394 1.797 1.00 0.00 C ATOM 22 O LEU A 2 19.379 -1.708 0.802 1.00 0.00 O ATOM 23 CB LEU A 2 16.843 -2.624 2.844 1.00 0.00 C ATOM 24 CG LEU A 2 15.739 -1.960 2.015 1.00 0.00 C ATOM 25 CD1 LEU A 2 16.151 -1.721 0.563 1.00 0.00 C ATOM 26 CD2 LEU A 2 14.514 -2.885 1.991 1.00 0.00 C ATOM 0 H LEU A 2 17.870 -0.118 1.887 1.00 0.00 H new ATOM 0 HA LEU A 2 18.642 -2.155 3.859 1.00 0.00 H new ATOM 0 HB2 LEU A 2 17.005 -3.628 2.452 1.00 0.00 H new ATOM 0 HB3 LEU A 2 16.480 -2.736 3.866 1.00 0.00 H new ATOM 0 HG LEU A 2 15.528 -0.997 2.480 1.00 0.00 H new ATOM 0 HD11 LEU A 2 15.329 -1.249 0.025 1.00 0.00 H new ATOM 0 HD12 LEU A 2 17.025 -1.070 0.535 1.00 0.00 H new ATOM 0 HD13 LEU A 2 16.393 -2.674 0.092 1.00 0.00 H new ATOM 0 HD21 LEU A 2 13.721 -2.423 1.403 1.00 0.00 H new ATOM 0 HD22 LEU A 2 14.788 -3.840 1.543 1.00 0.00 H new ATOM 0 HD23 LEU A 2 14.162 -3.050 3.010 1.00 0.00 H new ATOM 38 N SER A 3 19.735 -3.570 2.018 1.00 0.00 N ATOM 39 CA SER A 3 20.727 -4.187 1.145 1.00 0.00 C ATOM 40 C SER A 3 20.102 -5.026 0.024 1.00 0.00 C ATOM 41 O SER A 3 18.922 -5.371 0.064 1.00 0.00 O ATOM 42 CB SER A 3 21.651 -5.057 2.005 1.00 0.00 C ATOM 43 OG SER A 3 22.009 -4.369 3.186 1.00 0.00 O ATOM 0 H SER A 3 19.522 -4.138 2.838 1.00 0.00 H new ATOM 0 HA SER A 3 21.285 -3.391 0.652 1.00 0.00 H new ATOM 0 HB2 SER A 3 21.151 -5.992 2.258 1.00 0.00 H new ATOM 0 HB3 SER A 3 22.547 -5.317 1.441 1.00 0.00 H new ATOM 0 HG SER A 3 22.598 -4.934 3.728 1.00 0.00 H new ATOM 49 N GLU A 4 20.920 -5.384 -0.970 1.00 0.00 N ATOM 50 CA GLU A 4 20.535 -6.210 -2.110 1.00 0.00 C ATOM 51 C GLU A 4 19.858 -7.504 -1.649 1.00 0.00 C ATOM 52 O GLU A 4 18.840 -7.902 -2.207 1.00 0.00 O ATOM 53 CB GLU A 4 21.764 -6.520 -2.982 1.00 0.00 C ATOM 54 CG GLU A 4 22.219 -5.326 -3.839 1.00 0.00 C ATOM 55 CD GLU A 4 22.650 -4.098 -3.040 1.00 0.00 C ATOM 56 OE1 GLU A 4 23.238 -4.300 -1.953 1.00 0.00 O ATOM 57 OE2 GLU A 4 22.365 -2.982 -3.523 1.00 0.00 O ATOM 0 H GLU A 4 21.898 -5.096 -1.001 1.00 0.00 H new ATOM 0 HA GLU A 4 19.815 -5.652 -2.708 1.00 0.00 H new ATOM 0 HB2 GLU A 4 22.587 -6.832 -2.339 1.00 0.00 H new ATOM 0 HB3 GLU A 4 21.534 -7.361 -3.636 1.00 0.00 H new ATOM 0 HG2 GLU A 4 23.050 -5.643 -4.469 1.00 0.00 H new ATOM 0 HG3 GLU A 4 21.404 -5.042 -4.505 1.00 0.00 H new ATOM 64 N GLY A 5 20.407 -8.150 -0.614 1.00 0.00 N ATOM 65 CA GLY A 5 19.829 -9.367 -0.059 1.00 0.00 C ATOM 66 C GLY A 5 18.381 -9.110 0.362 1.00 0.00 C ATOM 67 O GLY A 5 17.467 -9.832 -0.033 1.00 0.00 O ATOM 0 H GLY A 5 21.258 -7.842 -0.144 1.00 0.00 H new ATOM 0 HA2 GLY A 5 19.866 -10.167 -0.798 1.00 0.00 H new ATOM 0 HA3 GLY A 5 20.413 -9.699 0.799 1.00 0.00 H new ATOM 71 N GLU A 6 18.170 -8.045 1.136 1.00 0.00 N ATOM 72 CA GLU A 6 16.851 -7.639 1.587 1.00 0.00 C ATOM 73 C GLU A 6 15.955 -7.339 0.379 1.00 0.00 C ATOM 74 O GLU A 6 14.777 -7.689 0.398 1.00 0.00 O ATOM 75 CB GLU A 6 16.976 -6.436 2.516 1.00 0.00 C ATOM 76 CG GLU A 6 17.693 -6.777 3.827 1.00 0.00 C ATOM 77 CD GLU A 6 17.836 -5.527 4.685 1.00 0.00 C ATOM 78 OE1 GLU A 6 18.772 -4.753 4.388 1.00 0.00 O ATOM 79 OE2 GLU A 6 16.994 -5.352 5.592 1.00 0.00 O ATOM 0 H GLU A 6 18.920 -7.439 1.467 1.00 0.00 H new ATOM 0 HA GLU A 6 16.385 -8.448 2.149 1.00 0.00 H new ATOM 0 HB2 GLU A 6 17.520 -5.641 2.005 1.00 0.00 H new ATOM 0 HB3 GLU A 6 15.982 -6.049 2.740 1.00 0.00 H new ATOM 0 HG2 GLU A 6 17.133 -7.538 4.370 1.00 0.00 H new ATOM 0 HG3 GLU A 6 18.676 -7.196 3.614 1.00 0.00 H new ATOM 86 N TRP A 7 16.484 -6.696 -0.666 1.00 0.00 N ATOM 87 CA TRP A 7 15.703 -6.504 -1.878 1.00 0.00 C ATOM 88 C TRP A 7 15.293 -7.849 -2.480 1.00 0.00 C ATOM 89 O TRP A 7 14.160 -7.998 -2.932 1.00 0.00 O ATOM 90 CB TRP A 7 16.424 -5.621 -2.908 1.00 0.00 C ATOM 91 CG TRP A 7 16.177 -4.149 -2.781 1.00 0.00 C ATOM 92 CD1 TRP A 7 17.118 -3.198 -2.592 1.00 0.00 C ATOM 93 CD2 TRP A 7 14.897 -3.448 -2.805 1.00 0.00 C ATOM 94 NE1 TRP A 7 16.511 -1.965 -2.486 1.00 0.00 N ATOM 95 CE2 TRP A 7 15.139 -2.065 -2.567 1.00 0.00 C ATOM 96 CE3 TRP A 7 13.549 -3.843 -2.965 1.00 0.00 C ATOM 97 CZ2 TRP A 7 14.102 -1.126 -2.468 1.00 0.00 C ATOM 98 CZ3 TRP A 7 12.502 -2.911 -2.850 1.00 0.00 C ATOM 99 CH2 TRP A 7 12.774 -1.559 -2.589 1.00 0.00 C ATOM 0 H TRP A 7 17.428 -6.310 -0.693 1.00 0.00 H new ATOM 0 HA TRP A 7 14.797 -5.968 -1.595 1.00 0.00 H new ATOM 0 HB2 TRP A 7 17.496 -5.800 -2.827 1.00 0.00 H new ATOM 0 HB3 TRP A 7 16.122 -5.938 -3.906 1.00 0.00 H new ATOM 0 HD1 TRP A 7 18.182 -3.376 -2.533 1.00 0.00 H new ATOM 0 HE1 TRP A 7 17.015 -1.087 -2.363 1.00 0.00 H new ATOM 0 HE3 TRP A 7 13.320 -4.876 -3.179 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 14.324 -0.082 -2.301 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 11.479 -3.239 -2.964 1.00 0.00 H new ATOM 0 HH2 TRP A 7 11.963 -0.854 -2.482 1.00 0.00 H new ATOM 110 N GLN A 8 16.205 -8.819 -2.533 1.00 0.00 N ATOM 111 CA GLN A 8 15.877 -10.135 -3.053 1.00 0.00 C ATOM 112 C GLN A 8 14.744 -10.754 -2.220 1.00 0.00 C ATOM 113 O GLN A 8 13.769 -11.257 -2.778 1.00 0.00 O ATOM 114 CB GLN A 8 17.128 -11.023 -3.085 1.00 0.00 C ATOM 115 CG GLN A 8 16.883 -12.266 -3.947 1.00 0.00 C ATOM 116 CD GLN A 8 17.910 -13.362 -3.687 1.00 0.00 C ATOM 117 OE1 GLN A 8 19.192 -13.047 -3.844 1.00 0.00 O flip ATOM 118 NE2 GLN A 8 17.553 -14.486 -3.346 1.00 0.00 N flip ATOM 0 H GLN A 8 17.171 -8.714 -2.223 1.00 0.00 H new ATOM 0 HA GLN A 8 15.522 -10.047 -4.080 1.00 0.00 H new ATOM 0 HB2 GLN A 8 17.972 -10.458 -3.482 1.00 0.00 H new ATOM 0 HB3 GLN A 8 17.394 -11.323 -2.071 1.00 0.00 H new ATOM 0 HG2 GLN A 8 15.884 -12.653 -3.747 1.00 0.00 H new ATOM 0 HG3 GLN A 8 16.912 -11.987 -5.000 1.00 0.00 H new ATOM 0 HE21 GLN A 8 16.561 -14.694 -3.235 1.00 0.00 H new ATOM 0 HE22 GLN A 8 18.249 -15.212 -3.174 1.00 0.00 H new ATOM 127 N LEU A 9 14.889 -10.746 -0.891 1.00 0.00 N ATOM 128 CA LEU A 9 13.863 -11.237 0.023 1.00 0.00 C ATOM 129 C LEU A 9 12.537 -10.540 -0.292 1.00 0.00 C ATOM 130 O LEU A 9 11.542 -11.212 -0.554 1.00 0.00 O ATOM 131 CB LEU A 9 14.296 -11.020 1.480 1.00 0.00 C ATOM 132 CG LEU A 9 15.059 -12.217 2.073 1.00 0.00 C ATOM 133 CD1 LEU A 9 16.281 -12.656 1.260 1.00 0.00 C ATOM 134 CD2 LEU A 9 15.519 -11.865 3.491 1.00 0.00 C ATOM 0 H LEU A 9 15.725 -10.397 -0.422 1.00 0.00 H new ATOM 0 HA LEU A 9 13.726 -12.310 -0.111 1.00 0.00 H new ATOM 0 HB2 LEU A 9 14.926 -10.132 1.536 1.00 0.00 H new ATOM 0 HB3 LEU A 9 13.413 -10.823 2.089 1.00 0.00 H new ATOM 0 HG LEU A 9 14.361 -13.054 2.062 1.00 0.00 H new ATOM 0 HD11 LEU A 9 16.758 -13.505 1.750 1.00 0.00 H new ATOM 0 HD12 LEU A 9 15.966 -12.946 0.258 1.00 0.00 H new ATOM 0 HD13 LEU A 9 16.989 -11.830 1.193 1.00 0.00 H new ATOM 0 HD21 LEU A 9 16.061 -12.709 3.918 1.00 0.00 H new ATOM 0 HD22 LEU A 9 16.174 -10.994 3.455 1.00 0.00 H new ATOM 0 HD23 LEU A 9 14.650 -11.641 4.110 1.00 0.00 H new ATOM 146 N VAL A 10 12.547 -9.207 -0.388 1.00 0.00 N ATOM 147 CA VAL A 10 11.365 -8.414 -0.714 1.00 0.00 C ATOM 148 C VAL A 10 10.729 -8.932 -2.003 1.00 0.00 C ATOM 149 O VAL A 10 9.538 -9.224 -2.019 1.00 0.00 O ATOM 150 CB VAL A 10 11.741 -6.929 -0.822 1.00 0.00 C ATOM 151 CG1 VAL A 10 10.694 -6.081 -1.550 1.00 0.00 C ATOM 152 CG2 VAL A 10 11.944 -6.341 0.573 1.00 0.00 C ATOM 0 H VAL A 10 13.386 -8.646 -0.240 1.00 0.00 H new ATOM 0 HA VAL A 10 10.628 -8.512 0.083 1.00 0.00 H new ATOM 0 HB VAL A 10 12.659 -6.896 -1.409 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.028 -5.044 -1.588 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.563 -6.457 -2.565 1.00 0.00 H new ATOM 0 HG13 VAL A 10 9.745 -6.137 -1.017 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.210 -5.287 0.489 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.022 -6.437 1.146 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.745 -6.878 1.081 1.00 0.00 H new ATOM 162 N LEU A 11 11.507 -9.078 -3.078 1.00 0.00 N ATOM 163 CA LEU A 11 10.977 -9.595 -4.333 1.00 0.00 C ATOM 164 C LEU A 11 10.385 -10.995 -4.149 1.00 0.00 C ATOM 165 O LEU A 11 9.330 -11.291 -4.711 1.00 0.00 O ATOM 166 CB LEU A 11 12.041 -9.552 -5.434 1.00 0.00 C ATOM 167 CG LEU A 11 12.499 -8.127 -5.791 1.00 0.00 C ATOM 168 CD1 LEU A 11 13.641 -8.206 -6.807 1.00 0.00 C ATOM 169 CD2 LEU A 11 11.373 -7.262 -6.368 1.00 0.00 C ATOM 0 H LEU A 11 12.500 -8.846 -3.101 1.00 0.00 H new ATOM 0 HA LEU A 11 10.160 -8.948 -4.653 1.00 0.00 H new ATOM 0 HB2 LEU A 11 12.906 -10.134 -5.115 1.00 0.00 H new ATOM 0 HB3 LEU A 11 11.646 -10.033 -6.329 1.00 0.00 H new ATOM 0 HG LEU A 11 12.827 -7.654 -4.865 1.00 0.00 H new ATOM 0 HD11 LEU A 11 13.970 -7.199 -7.064 1.00 0.00 H new ATOM 0 HD12 LEU A 11 14.474 -8.761 -6.375 1.00 0.00 H new ATOM 0 HD13 LEU A 11 13.293 -8.715 -7.706 1.00 0.00 H new ATOM 0 HD21 LEU A 11 11.759 -6.269 -6.599 1.00 0.00 H new ATOM 0 HD22 LEU A 11 10.990 -7.724 -7.278 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.569 -7.177 -5.637 1.00 0.00 H new ATOM 181 N HIS A 12 11.036 -11.860 -3.364 1.00 0.00 N ATOM 182 CA HIS A 12 10.475 -13.174 -3.078 1.00 0.00 C ATOM 183 C HIS A 12 9.104 -13.020 -2.423 1.00 0.00 C ATOM 184 O HIS A 12 8.103 -13.457 -2.983 1.00 0.00 O ATOM 185 CB HIS A 12 11.422 -14.019 -2.218 1.00 0.00 C ATOM 186 CG HIS A 12 12.726 -14.377 -2.882 1.00 0.00 C ATOM 187 ND1 HIS A 12 12.924 -14.584 -4.232 1.00 0.00 N ATOM 188 CD2 HIS A 12 13.901 -14.635 -2.235 1.00 0.00 C ATOM 189 CE1 HIS A 12 14.206 -14.950 -4.405 1.00 0.00 C ATOM 190 NE2 HIS A 12 14.815 -14.989 -3.206 1.00 0.00 N ATOM 0 H HIS A 12 11.937 -11.674 -2.924 1.00 0.00 H new ATOM 0 HA HIS A 12 10.350 -13.709 -4.019 1.00 0.00 H new ATOM 0 HB2 HIS A 12 11.636 -13.476 -1.297 1.00 0.00 H new ATOM 0 HB3 HIS A 12 10.910 -14.939 -1.934 1.00 0.00 H new ATOM 0 HD1 HIS A 12 12.224 -14.478 -4.966 1.00 0.00 H new ATOM 0 HD2 HIS A 12 14.080 -14.574 -1.172 1.00 0.00 H new ATOM 0 HE1 HIS A 12 14.672 -15.176 -5.353 1.00 0.00 H new ATOM 199 N VAL A 13 9.025 -12.308 -1.297 1.00 0.00 N ATOM 200 CA VAL A 13 7.757 -12.110 -0.598 1.00 0.00 C ATOM 201 C VAL A 13 6.731 -11.475 -1.548 1.00 0.00 C ATOM 202 O VAL A 13 5.589 -11.912 -1.652 1.00 0.00 O ATOM 203 CB VAL A 13 7.957 -11.250 0.665 1.00 0.00 C ATOM 204 CG1 VAL A 13 6.624 -11.026 1.392 1.00 0.00 C ATOM 205 CG2 VAL A 13 8.913 -11.926 1.652 1.00 0.00 C ATOM 0 H VAL A 13 9.825 -11.860 -0.851 1.00 0.00 H new ATOM 0 HA VAL A 13 7.375 -13.079 -0.277 1.00 0.00 H new ATOM 0 HB VAL A 13 8.374 -10.299 0.332 1.00 0.00 H new ATOM 0 HG11 VAL A 13 6.792 -10.416 2.280 1.00 0.00 H new ATOM 0 HG12 VAL A 13 5.928 -10.515 0.727 1.00 0.00 H new ATOM 0 HG13 VAL A 13 6.204 -11.988 1.686 1.00 0.00 H new ATOM 0 HG21 VAL A 13 9.033 -11.295 2.532 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.505 -12.891 1.951 1.00 0.00 H new ATOM 0 HG23 VAL A 13 9.882 -12.074 1.176 1.00 0.00 H new ATOM 215 N TRP A 14 7.165 -10.512 -2.358 1.00 0.00 N ATOM 216 CA TRP A 14 6.274 -9.779 -3.231 1.00 0.00 C ATOM 217 C TRP A 14 5.722 -10.696 -4.310 1.00 0.00 C ATOM 218 O TRP A 14 4.599 -10.494 -4.762 1.00 0.00 O ATOM 219 CB TRP A 14 6.933 -8.535 -3.836 1.00 0.00 C ATOM 220 CG TRP A 14 5.937 -7.645 -4.511 1.00 0.00 C ATOM 221 CD1 TRP A 14 5.618 -7.670 -5.823 1.00 0.00 C ATOM 222 CD2 TRP A 14 5.009 -6.708 -3.889 1.00 0.00 C ATOM 223 NE1 TRP A 14 4.567 -6.807 -6.058 1.00 0.00 N ATOM 224 CE2 TRP A 14 4.153 -6.176 -4.899 1.00 0.00 C ATOM 225 CE3 TRP A 14 4.781 -6.285 -2.561 1.00 0.00 C ATOM 226 CZ2 TRP A 14 3.133 -5.255 -4.603 1.00 0.00 C ATOM 227 CZ3 TRP A 14 3.776 -5.350 -2.257 1.00 0.00 C ATOM 228 CH2 TRP A 14 2.971 -4.813 -3.277 1.00 0.00 C ATOM 0 H TRP A 14 8.142 -10.225 -2.422 1.00 0.00 H new ATOM 0 HA TRP A 14 5.445 -9.417 -2.622 1.00 0.00 H new ATOM 0 HB2 TRP A 14 7.444 -7.977 -3.051 1.00 0.00 H new ATOM 0 HB3 TRP A 14 7.692 -8.841 -4.556 1.00 0.00 H new ATOM 0 HD1 TRP A 14 6.110 -8.272 -6.573 1.00 0.00 H new ATOM 0 HE1 TRP A 14 4.147 -6.653 -6.975 1.00 0.00 H new ATOM 0 HE3 TRP A 14 5.390 -6.687 -1.765 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 2.482 -4.891 -5.384 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 3.621 -5.042 -1.233 1.00 0.00 H new ATOM 0 HH2 TRP A 14 2.230 -4.063 -3.043 1.00 0.00 H new ATOM 239 N ALA A 15 6.497 -11.692 -4.749 1.00 0.00 N ATOM 240 CA ALA A 15 5.981 -12.670 -5.687 1.00 0.00 C ATOM 241 C ALA A 15 4.669 -13.281 -5.188 1.00 0.00 C ATOM 242 O ALA A 15 3.808 -13.598 -6.006 1.00 0.00 O ATOM 243 CB ALA A 15 7.010 -13.767 -5.987 1.00 0.00 C ATOM 0 H ALA A 15 7.468 -11.834 -4.470 1.00 0.00 H new ATOM 0 HA ALA A 15 5.777 -12.143 -6.619 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.586 -14.480 -6.694 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.905 -13.318 -6.418 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.271 -14.283 -5.063 1.00 0.00 H new ATOM 249 N LYS A 16 4.486 -13.417 -3.866 1.00 0.00 N ATOM 250 CA LYS A 16 3.231 -13.975 -3.360 1.00 0.00 C ATOM 251 C LYS A 16 2.081 -13.033 -3.724 1.00 0.00 C ATOM 252 O LYS A 16 1.073 -13.469 -4.276 1.00 0.00 O ATOM 253 CB LYS A 16 3.282 -14.273 -1.854 1.00 0.00 C ATOM 254 CG LYS A 16 3.565 -15.751 -1.534 1.00 0.00 C ATOM 255 CD LYS A 16 4.918 -16.272 -2.040 1.00 0.00 C ATOM 256 CE LYS A 16 6.083 -15.512 -1.404 1.00 0.00 C ATOM 257 NZ LYS A 16 7.378 -16.134 -1.726 1.00 0.00 N ATOM 0 H LYS A 16 5.167 -13.157 -3.152 1.00 0.00 H new ATOM 0 HA LYS A 16 3.064 -14.940 -3.837 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.054 -13.655 -1.395 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.333 -13.986 -1.402 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.519 -15.889 -0.454 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.772 -16.360 -1.967 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.008 -17.334 -1.814 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.965 -16.172 -3.124 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.078 -14.479 -1.753 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.952 -15.483 -0.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.734 -16.645 -0.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.256 -16.800 -2.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.059 -15.397 -1.997 1.00 0.00 H new ATOM 271 N VAL A 17 2.263 -11.735 -3.466 1.00 0.00 N ATOM 272 CA VAL A 17 1.300 -10.701 -3.827 1.00 0.00 C ATOM 273 C VAL A 17 1.083 -10.742 -5.339 1.00 0.00 C ATOM 274 O VAL A 17 -0.035 -10.936 -5.815 1.00 0.00 O ATOM 275 CB VAL A 17 1.768 -9.334 -3.286 1.00 0.00 C ATOM 276 CG1 VAL A 17 1.389 -8.145 -4.176 1.00 0.00 C ATOM 277 CG2 VAL A 17 1.316 -9.055 -1.861 1.00 0.00 C ATOM 0 H VAL A 17 3.093 -11.373 -2.996 1.00 0.00 H new ATOM 0 HA VAL A 17 0.329 -10.878 -3.365 1.00 0.00 H new ATOM 0 HB VAL A 17 2.854 -9.428 -3.293 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.754 -7.222 -3.725 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.838 -8.270 -5.161 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.305 -8.096 -4.275 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.682 -8.077 -1.548 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.227 -9.067 -1.816 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.715 -9.821 -1.196 1.00 0.00 H new ATOM 287 N GLU A 18 2.168 -10.555 -6.089 1.00 0.00 N ATOM 288 CA GLU A 18 2.194 -10.501 -7.538 1.00 0.00 C ATOM 289 C GLU A 18 1.476 -11.686 -8.190 1.00 0.00 C ATOM 290 O GLU A 18 0.905 -11.530 -9.268 1.00 0.00 O ATOM 291 CB GLU A 18 3.644 -10.356 -8.023 1.00 0.00 C ATOM 292 CG GLU A 18 3.744 -9.702 -9.410 1.00 0.00 C ATOM 293 CD GLU A 18 3.222 -8.264 -9.428 1.00 0.00 C ATOM 294 OE1 GLU A 18 3.728 -7.457 -8.615 1.00 0.00 O ATOM 295 OE2 GLU A 18 2.322 -7.995 -10.251 1.00 0.00 O ATOM 0 H GLU A 18 3.093 -10.432 -5.677 1.00 0.00 H new ATOM 0 HA GLU A 18 1.633 -9.622 -7.854 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.205 -9.760 -7.304 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.112 -11.340 -8.055 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.784 -9.710 -9.736 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.180 -10.297 -10.128 1.00 0.00 H new ATOM 302 N ALA A 19 1.577 -12.883 -7.607 1.00 0.00 N ATOM 303 CA ALA A 19 0.873 -14.036 -8.143 1.00 0.00 C ATOM 304 C ALA A 19 -0.632 -13.777 -8.255 1.00 0.00 C ATOM 305 O ALA A 19 -1.254 -14.211 -9.222 1.00 0.00 O ATOM 306 CB ALA A 19 1.176 -15.285 -7.313 1.00 0.00 C ATOM 0 H ALA A 19 2.134 -13.072 -6.774 1.00 0.00 H new ATOM 0 HA ALA A 19 1.236 -14.212 -9.156 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.640 -16.138 -7.730 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.247 -15.485 -7.334 1.00 0.00 H new ATOM 0 HB3 ALA A 19 0.857 -15.124 -6.283 1.00 0.00 H new ATOM 312 N ASP A 20 -1.216 -13.024 -7.318 1.00 0.00 N ATOM 313 CA ASP A 20 -2.631 -12.684 -7.349 1.00 0.00 C ATOM 314 C ASP A 20 -2.837 -11.278 -6.783 1.00 0.00 C ATOM 315 O ASP A 20 -3.411 -11.088 -5.707 1.00 0.00 O ATOM 316 CB ASP A 20 -3.489 -13.796 -6.723 1.00 0.00 C ATOM 317 CG ASP A 20 -3.146 -14.180 -5.298 1.00 0.00 C ATOM 318 OD1 ASP A 20 -2.249 -15.035 -5.141 1.00 0.00 O ATOM 319 OD2 ASP A 20 -3.824 -13.651 -4.393 1.00 0.00 O ATOM 0 H ASP A 20 -0.716 -12.636 -6.518 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.991 -12.636 -8.377 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.532 -13.482 -6.752 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.407 -14.686 -7.347 1.00 0.00 H new ATOM 324 N VAL A 21 -2.404 -10.294 -7.582 1.00 0.00 N ATOM 325 CA VAL A 21 -2.413 -8.869 -7.279 1.00 0.00 C ATOM 326 C VAL A 21 -3.778 -8.465 -6.722 1.00 0.00 C ATOM 327 O VAL A 21 -3.891 -8.017 -5.588 1.00 0.00 O ATOM 328 CB VAL A 21 -2.066 -8.032 -8.535 1.00 0.00 C ATOM 329 CG1 VAL A 21 -1.690 -6.610 -8.107 1.00 0.00 C ATOM 330 CG2 VAL A 21 -0.897 -8.581 -9.360 1.00 0.00 C ATOM 0 H VAL A 21 -2.018 -10.488 -8.506 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.651 -8.670 -6.526 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.957 -8.066 -9.162 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.445 -6.018 -8.988 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.531 -6.153 -7.585 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.827 -6.646 -7.443 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.723 -7.934 -10.220 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.001 -8.613 -8.742 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.136 -9.587 -9.705 1.00 0.00 H new ATOM 340 N ALA A 22 -4.828 -8.664 -7.521 1.00 0.00 N ATOM 341 CA ALA A 22 -6.198 -8.322 -7.150 1.00 0.00 C ATOM 342 C ALA A 22 -6.634 -9.005 -5.853 1.00 0.00 C ATOM 343 O ALA A 22 -7.319 -8.405 -5.028 1.00 0.00 O ATOM 344 CB ALA A 22 -7.151 -8.712 -8.285 1.00 0.00 C ATOM 0 H ALA A 22 -4.748 -9.071 -8.453 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.234 -7.246 -6.981 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.173 -8.456 -8.006 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.877 -8.173 -9.192 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -7.082 -9.785 -8.465 1.00 0.00 H new ATOM 350 N GLY A 23 -6.255 -10.275 -5.691 1.00 0.00 N ATOM 351 CA GLY A 23 -6.605 -11.077 -4.531 1.00 0.00 C ATOM 352 C GLY A 23 -6.078 -10.404 -3.272 1.00 0.00 C ATOM 353 O GLY A 23 -6.823 -10.168 -2.321 1.00 0.00 O ATOM 0 H GLY A 23 -5.689 -10.776 -6.375 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.687 -11.193 -4.469 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -6.182 -12.077 -4.626 1.00 0.00 H new ATOM 357 N HIS A 24 -4.801 -10.013 -3.301 1.00 0.00 N ATOM 358 CA HIS A 24 -4.193 -9.354 -2.151 1.00 0.00 C ATOM 359 C HIS A 24 -4.842 -7.976 -2.019 1.00 0.00 C ATOM 360 O HIS A 24 -5.338 -7.614 -0.958 1.00 0.00 O ATOM 361 CB HIS A 24 -2.661 -9.277 -2.297 1.00 0.00 C ATOM 362 CG HIS A 24 -2.009 -10.641 -2.265 1.00 0.00 C ATOM 363 ND1 HIS A 24 -2.184 -11.624 -3.211 1.00 0.00 N ATOM 364 CD2 HIS A 24 -1.071 -11.101 -1.369 1.00 0.00 C ATOM 365 CE1 HIS A 24 -1.422 -12.673 -2.863 1.00 0.00 C ATOM 366 NE2 HIS A 24 -0.721 -12.405 -1.747 1.00 0.00 N ATOM 0 H HIS A 24 -4.178 -10.141 -4.099 1.00 0.00 H new ATOM 0 HA HIS A 24 -4.368 -9.925 -1.239 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -2.413 -8.781 -3.235 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -2.253 -8.663 -1.494 1.00 0.00 H new ATOM 0 HD1 HIS A 24 -2.786 -11.566 -4.032 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -0.675 -10.555 -0.525 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -1.378 -13.606 -3.406 1.00 0.00 H new ATOM 374 N GLY A 25 -4.884 -7.233 -3.129 1.00 0.00 N ATOM 375 CA GLY A 25 -5.428 -5.887 -3.258 1.00 0.00 C ATOM 376 C GLY A 25 -6.767 -5.746 -2.545 1.00 0.00 C ATOM 377 O GLY A 25 -6.929 -4.858 -1.707 1.00 0.00 O ATOM 0 H GLY A 25 -4.515 -7.581 -4.014 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.720 -5.168 -2.846 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.551 -5.645 -4.314 1.00 0.00 H new ATOM 381 N GLN A 26 -7.696 -6.675 -2.813 1.00 0.00 N ATOM 382 CA GLN A 26 -9.009 -6.639 -2.186 1.00 0.00 C ATOM 383 C GLN A 26 -8.809 -6.684 -0.673 1.00 0.00 C ATOM 384 O GLN A 26 -9.031 -5.678 -0.007 1.00 0.00 O ATOM 385 CB GLN A 26 -9.904 -7.806 -2.649 1.00 0.00 C ATOM 386 CG GLN A 26 -10.491 -7.606 -4.052 1.00 0.00 C ATOM 387 CD GLN A 26 -11.554 -6.509 -4.064 1.00 0.00 C ATOM 388 OE1 GLN A 26 -11.225 -5.337 -4.158 1.00 0.00 O ATOM 389 NE2 GLN A 26 -12.834 -6.863 -4.003 1.00 0.00 N ATOM 0 H GLN A 26 -7.556 -7.453 -3.457 1.00 0.00 H new ATOM 0 HA GLN A 26 -9.521 -5.722 -2.480 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.322 -8.728 -2.635 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -10.720 -7.933 -1.937 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.693 -7.348 -4.748 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -10.928 -8.541 -4.401 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -13.088 -7.848 -3.925 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -13.562 -6.150 -4.035 1.00 0.00 H new ATOM 398 N ASP A 27 -8.339 -7.824 -0.150 1.00 0.00 N ATOM 399 CA ASP A 27 -8.107 -8.040 1.279 1.00 0.00 C ATOM 400 C ASP A 27 -7.374 -6.868 1.929 1.00 0.00 C ATOM 401 O ASP A 27 -7.781 -6.394 2.983 1.00 0.00 O ATOM 402 CB ASP A 27 -7.361 -9.356 1.535 1.00 0.00 C ATOM 403 CG ASP A 27 -8.228 -10.591 1.302 1.00 0.00 C ATOM 404 OD1 ASP A 27 -9.257 -10.468 0.601 1.00 0.00 O ATOM 405 OD2 ASP A 27 -7.817 -11.657 1.810 1.00 0.00 O ATOM 0 H ASP A 27 -8.106 -8.636 -0.722 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.089 -8.109 1.746 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.488 -9.404 0.884 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.994 -9.365 2.561 1.00 0.00 H new ATOM 410 N ILE A 28 -6.358 -6.322 1.264 1.00 0.00 N ATOM 411 CA ILE A 28 -5.576 -5.218 1.792 1.00 0.00 C ATOM 412 C ILE A 28 -6.489 -4.004 2.018 1.00 0.00 C ATOM 413 O ILE A 28 -6.520 -3.434 3.110 1.00 0.00 O ATOM 414 CB ILE A 28 -4.365 -4.935 0.873 1.00 0.00 C ATOM 415 CG1 ILE A 28 -3.324 -6.048 1.097 1.00 0.00 C ATOM 416 CG2 ILE A 28 -3.738 -3.564 1.168 1.00 0.00 C ATOM 417 CD1 ILE A 28 -2.190 -6.042 0.074 1.00 0.00 C ATOM 0 H ILE A 28 -6.057 -6.637 0.342 1.00 0.00 H new ATOM 0 HA ILE A 28 -5.156 -5.474 2.765 1.00 0.00 H new ATOM 0 HB ILE A 28 -4.700 -4.920 -0.164 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.901 -5.942 2.096 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.826 -7.015 1.064 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.890 -3.401 0.503 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -4.481 -2.782 1.008 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.398 -3.535 2.203 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.496 -6.853 0.295 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.601 -6.179 -0.926 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.662 -5.090 0.122 1.00 0.00 H new ATOM 429 N LEU A 29 -7.265 -3.614 1.004 1.00 0.00 N ATOM 430 CA LEU A 29 -8.164 -2.503 1.069 1.00 0.00 C ATOM 431 C LEU A 29 -9.293 -2.813 2.058 1.00 0.00 C ATOM 432 O LEU A 29 -9.604 -1.989 2.910 1.00 0.00 O ATOM 433 CB LEU A 29 -8.644 -2.253 -0.361 1.00 0.00 C ATOM 434 CG LEU A 29 -7.612 -1.581 -1.296 1.00 0.00 C ATOM 435 CD1 LEU A 29 -8.226 -1.250 -2.659 1.00 0.00 C ATOM 436 CD2 LEU A 29 -7.032 -0.271 -0.739 1.00 0.00 C ATOM 0 H LEU A 29 -7.272 -4.087 0.100 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.693 -1.594 1.443 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.940 -3.206 -0.799 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -9.536 -1.628 -0.323 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.811 -2.315 -1.385 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.474 -0.779 -3.292 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -8.576 -2.167 -3.133 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -9.066 -0.568 -2.524 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.316 0.141 -1.450 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -7.838 0.445 -0.579 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.530 -0.469 0.208 1.00 0.00 H new ATOM 448 N ILE A 30 -9.845 -4.029 2.041 1.00 0.00 N ATOM 449 CA ILE A 30 -10.901 -4.467 2.920 1.00 0.00 C ATOM 450 C ILE A 30 -10.441 -4.316 4.372 1.00 0.00 C ATOM 451 O ILE A 30 -11.175 -3.814 5.221 1.00 0.00 O ATOM 452 CB ILE A 30 -11.261 -5.914 2.497 1.00 0.00 C ATOM 453 CG1 ILE A 30 -12.600 -5.929 1.759 1.00 0.00 C ATOM 454 CG2 ILE A 30 -11.163 -6.932 3.619 1.00 0.00 C ATOM 455 CD1 ILE A 30 -12.843 -7.248 1.022 1.00 0.00 C ATOM 0 H ILE A 30 -9.549 -4.753 1.386 1.00 0.00 H new ATOM 0 HA ILE A 30 -11.807 -3.866 2.845 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.495 -6.249 1.797 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -13.407 -5.760 2.472 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -12.628 -5.106 1.045 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -11.431 -7.918 3.240 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -10.142 -6.955 4.001 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -11.845 -6.655 4.423 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -13.807 -7.209 0.514 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -12.052 -7.406 0.289 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -12.844 -8.070 1.738 1.00 0.00 H new ATOM 467 N ARG A 31 -9.206 -4.741 4.649 1.00 0.00 N ATOM 468 CA ARG A 31 -8.630 -4.688 5.984 1.00 0.00 C ATOM 469 C ARG A 31 -8.409 -3.240 6.396 1.00 0.00 C ATOM 470 O ARG A 31 -8.831 -2.836 7.477 1.00 0.00 O ATOM 471 CB ARG A 31 -7.341 -5.517 6.059 1.00 0.00 C ATOM 472 CG ARG A 31 -6.689 -5.376 7.441 1.00 0.00 C ATOM 473 CD ARG A 31 -5.627 -6.456 7.672 1.00 0.00 C ATOM 474 NE ARG A 31 -4.786 -6.138 8.839 1.00 0.00 N ATOM 475 CZ ARG A 31 -5.126 -6.350 10.118 1.00 0.00 C ATOM 476 NH1 ARG A 31 -6.347 -6.797 10.427 1.00 0.00 N ATOM 477 NH2 ARG A 31 -4.239 -6.117 11.091 1.00 0.00 N ATOM 0 H ARG A 31 -8.579 -5.133 3.946 1.00 0.00 H new ATOM 0 HA ARG A 31 -9.329 -5.132 6.693 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -7.564 -6.565 5.861 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.645 -5.188 5.287 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -6.233 -4.390 7.531 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -7.454 -5.445 8.214 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -6.112 -7.420 7.823 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -5.001 -6.549 6.785 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.872 -5.723 8.659 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -7.026 -6.979 9.688 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.600 -6.957 11.402 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.305 -5.778 10.859 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -4.496 -6.278 12.065 1.00 0.00 H new ATOM 491 N LEU A 32 -7.815 -2.442 5.508 1.00 0.00 N ATOM 492 CA LEU A 32 -7.539 -1.040 5.723 1.00 0.00 C ATOM 493 C LEU A 32 -8.854 -0.340 6.112 1.00 0.00 C ATOM 494 O LEU A 32 -8.949 0.312 7.152 1.00 0.00 O ATOM 495 CB LEU A 32 -6.894 -0.565 4.410 1.00 0.00 C ATOM 496 CG LEU A 32 -6.768 0.939 4.226 1.00 0.00 C ATOM 497 CD1 LEU A 32 -5.787 1.535 5.236 1.00 0.00 C ATOM 498 CD2 LEU A 32 -6.325 1.245 2.789 1.00 0.00 C ATOM 0 H LEU A 32 -7.507 -2.774 4.594 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.856 -0.814 6.542 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.898 -1.003 4.340 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.476 -0.964 3.579 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.741 1.398 4.404 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.716 2.612 5.082 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.140 1.336 6.248 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.805 1.083 5.099 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.235 2.323 2.658 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.361 0.774 2.598 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.064 0.855 2.089 1.00 0.00 H new ATOM 510 N PHE A 33 -9.870 -0.482 5.260 1.00 0.00 N ATOM 511 CA PHE A 33 -11.200 0.060 5.464 1.00 0.00 C ATOM 512 C PHE A 33 -11.834 -0.423 6.766 1.00 0.00 C ATOM 513 O PHE A 33 -12.261 0.401 7.570 1.00 0.00 O ATOM 514 CB PHE A 33 -12.101 -0.274 4.256 1.00 0.00 C ATOM 515 CG PHE A 33 -11.634 0.187 2.881 1.00 0.00 C ATOM 516 CD1 PHE A 33 -10.546 1.067 2.736 1.00 0.00 C ATOM 517 CD2 PHE A 33 -12.265 -0.319 1.728 1.00 0.00 C ATOM 518 CE1 PHE A 33 -10.090 1.420 1.459 1.00 0.00 C ATOM 519 CE2 PHE A 33 -11.864 0.118 0.451 1.00 0.00 C ATOM 520 CZ PHE A 33 -10.791 1.020 0.312 1.00 0.00 C ATOM 0 H PHE A 33 -9.780 -0.995 4.383 1.00 0.00 H new ATOM 0 HA PHE A 33 -11.102 1.142 5.548 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -12.230 -1.356 4.222 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -13.084 0.159 4.440 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -10.061 1.472 3.612 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -13.059 -1.045 1.824 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -9.189 2.006 1.357 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -12.382 -0.240 -0.426 1.00 0.00 H new ATOM 0 HZ PHE A 33 -10.513 1.397 -0.661 1.00 0.00 H new ATOM 530 N LYS A 34 -11.954 -1.738 6.964 1.00 0.00 N ATOM 531 CA LYS A 34 -12.617 -2.275 8.147 1.00 0.00 C ATOM 532 C LYS A 34 -11.911 -1.840 9.433 1.00 0.00 C ATOM 533 O LYS A 34 -12.559 -1.466 10.408 1.00 0.00 O ATOM 534 CB LYS A 34 -12.709 -3.807 8.058 1.00 0.00 C ATOM 535 CG LYS A 34 -13.610 -4.369 9.165 1.00 0.00 C ATOM 536 CD LYS A 34 -13.701 -5.895 9.058 1.00 0.00 C ATOM 537 CE LYS A 34 -14.735 -6.444 10.047 1.00 0.00 C ATOM 538 NZ LYS A 34 -14.830 -7.911 9.963 1.00 0.00 N ATOM 0 H LYS A 34 -11.601 -2.446 6.320 1.00 0.00 H new ATOM 0 HA LYS A 34 -13.628 -1.869 8.181 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -13.102 -4.095 7.083 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.712 -4.240 8.141 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -13.214 -4.090 10.141 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -14.606 -3.933 9.088 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -13.976 -6.178 8.042 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -12.726 -6.338 9.260 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -14.462 -6.153 11.061 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -15.710 -6.002 9.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -15.538 -8.253 10.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -15.114 -8.186 9.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.905 -8.332 10.184 1.00 0.00 H new ATOM 552 N SER A 35 -10.583 -1.950 9.459 1.00 0.00 N ATOM 553 CA SER A 35 -9.788 -1.607 10.627 1.00 0.00 C ATOM 554 C SER A 35 -9.774 -0.095 10.853 1.00 0.00 C ATOM 555 O SER A 35 -9.755 0.350 12.001 1.00 0.00 O ATOM 556 CB SER A 35 -8.371 -2.178 10.482 1.00 0.00 C ATOM 557 OG SER A 35 -7.641 -2.041 11.687 1.00 0.00 O ATOM 0 H SER A 35 -10.032 -2.280 8.667 1.00 0.00 H new ATOM 0 HA SER A 35 -10.242 -2.056 11.510 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.426 -3.231 10.204 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.849 -1.663 9.676 1.00 0.00 H new ATOM 0 HG SER A 35 -6.878 -1.444 11.541 1.00 0.00 H new ATOM 563 N HIS A 36 -9.761 0.704 9.781 1.00 0.00 N ATOM 564 CA HIS A 36 -9.674 2.148 9.890 1.00 0.00 C ATOM 565 C HIS A 36 -10.725 2.802 8.984 1.00 0.00 C ATOM 566 O HIS A 36 -10.380 3.254 7.895 1.00 0.00 O ATOM 567 CB HIS A 36 -8.234 2.588 9.556 1.00 0.00 C ATOM 568 CG HIS A 36 -7.168 1.763 10.230 1.00 0.00 C ATOM 569 ND1 HIS A 36 -6.718 1.917 11.525 1.00 0.00 N ATOM 570 CD2 HIS A 36 -6.527 0.689 9.680 1.00 0.00 C ATOM 571 CE1 HIS A 36 -5.831 0.934 11.764 1.00 0.00 C ATOM 572 NE2 HIS A 36 -5.694 0.182 10.655 1.00 0.00 N ATOM 0 H HIS A 36 -9.811 0.362 8.822 1.00 0.00 H new ATOM 0 HA HIS A 36 -9.891 2.475 10.907 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -8.091 2.536 8.477 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -8.108 3.631 9.845 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -6.649 0.310 8.676 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -5.311 0.773 12.697 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -5.079 -0.625 10.554 1.00 0.00 H new ATOM 581 N PRO A 37 -12.002 2.871 9.396 1.00 0.00 N ATOM 582 CA PRO A 37 -13.091 3.436 8.601 1.00 0.00 C ATOM 583 C PRO A 37 -12.770 4.760 7.894 1.00 0.00 C ATOM 584 O PRO A 37 -13.187 4.982 6.756 1.00 0.00 O ATOM 585 CB PRO A 37 -14.257 3.585 9.579 1.00 0.00 C ATOM 586 CG PRO A 37 -14.035 2.420 10.542 1.00 0.00 C ATOM 587 CD PRO A 37 -12.513 2.357 10.657 1.00 0.00 C ATOM 0 HA PRO A 37 -13.313 2.773 7.765 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -14.235 4.546 10.093 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -15.221 3.516 9.074 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -14.506 2.599 11.508 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -14.450 1.490 10.153 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -12.159 2.955 11.496 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -12.175 1.335 10.829 1.00 0.00 H new ATOM 595 N GLU A 38 -12.099 5.678 8.591 1.00 0.00 N ATOM 596 CA GLU A 38 -11.734 6.966 8.026 1.00 0.00 C ATOM 597 C GLU A 38 -10.938 6.837 6.719 1.00 0.00 C ATOM 598 O GLU A 38 -11.015 7.722 5.867 1.00 0.00 O ATOM 599 CB GLU A 38 -11.037 7.812 9.104 1.00 0.00 C ATOM 600 CG GLU A 38 -11.098 9.325 8.845 1.00 0.00 C ATOM 601 CD GLU A 38 -12.519 9.873 8.781 1.00 0.00 C ATOM 602 OE1 GLU A 38 -13.174 9.876 9.845 1.00 0.00 O ATOM 603 OE2 GLU A 38 -12.914 10.286 7.669 1.00 0.00 O ATOM 0 H GLU A 38 -11.798 5.546 9.556 1.00 0.00 H new ATOM 0 HA GLU A 38 -12.639 7.494 7.726 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -11.495 7.600 10.070 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.993 7.507 9.172 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.552 9.843 9.634 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.589 9.546 7.907 1.00 0.00 H new ATOM 610 N THR A 39 -10.229 5.726 6.494 1.00 0.00 N ATOM 611 CA THR A 39 -9.466 5.548 5.262 1.00 0.00 C ATOM 612 C THR A 39 -10.413 5.344 4.071 1.00 0.00 C ATOM 613 O THR A 39 -10.092 5.716 2.944 1.00 0.00 O ATOM 614 CB THR A 39 -8.490 4.365 5.375 1.00 0.00 C ATOM 615 OG1 THR A 39 -9.166 3.133 5.492 1.00 0.00 O ATOM 616 CG2 THR A 39 -7.519 4.558 6.546 1.00 0.00 C ATOM 0 H THR A 39 -10.170 4.944 7.146 1.00 0.00 H new ATOM 0 HA THR A 39 -8.881 6.453 5.098 1.00 0.00 H new ATOM 0 HB THR A 39 -7.915 4.339 4.450 1.00 0.00 H new ATOM 0 HG1 THR A 39 -9.797 3.176 6.240 1.00 0.00 H new ATOM 0 HG21 THR A 39 -6.841 3.706 6.601 1.00 0.00 H new ATOM 0 HG22 THR A 39 -6.943 5.471 6.394 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.082 4.635 7.476 1.00 0.00 H new ATOM 624 N LEU A 40 -11.569 4.712 4.309 1.00 0.00 N ATOM 625 CA LEU A 40 -12.546 4.415 3.276 1.00 0.00 C ATOM 626 C LEU A 40 -13.229 5.691 2.812 1.00 0.00 C ATOM 627 O LEU A 40 -13.412 5.893 1.613 1.00 0.00 O ATOM 628 CB LEU A 40 -13.526 3.344 3.780 1.00 0.00 C ATOM 629 CG LEU A 40 -14.777 3.124 2.916 1.00 0.00 C ATOM 630 CD1 LEU A 40 -14.444 2.717 1.481 1.00 0.00 C ATOM 631 CD2 LEU A 40 -15.632 2.021 3.547 1.00 0.00 C ATOM 0 H LEU A 40 -11.847 4.393 5.237 1.00 0.00 H new ATOM 0 HA LEU A 40 -12.050 4.000 2.398 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -12.991 2.398 3.860 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -13.845 3.615 4.786 1.00 0.00 H new ATOM 0 HG LEU A 40 -15.311 4.074 2.876 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -15.367 2.576 0.919 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.849 3.499 1.010 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -13.878 1.785 1.489 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -16.522 1.859 2.940 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -15.055 1.098 3.599 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -15.928 2.321 4.552 1.00 0.00 H new ATOM 643 N GLU A 41 -13.613 6.542 3.763 1.00 0.00 N ATOM 644 CA GLU A 41 -14.222 7.830 3.467 1.00 0.00 C ATOM 645 C GLU A 41 -13.438 8.599 2.390 1.00 0.00 C ATOM 646 O GLU A 41 -14.038 9.284 1.568 1.00 0.00 O ATOM 647 CB GLU A 41 -14.393 8.631 4.765 1.00 0.00 C ATOM 648 CG GLU A 41 -15.345 7.909 5.734 1.00 0.00 C ATOM 649 CD GLU A 41 -15.573 8.701 7.017 1.00 0.00 C ATOM 650 OE1 GLU A 41 -16.099 9.829 6.901 1.00 0.00 O ATOM 651 OE2 GLU A 41 -15.235 8.154 8.089 1.00 0.00 O ATOM 0 H GLU A 41 -13.509 6.354 4.760 1.00 0.00 H new ATOM 0 HA GLU A 41 -15.213 7.664 3.044 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -13.422 8.772 5.240 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -14.784 9.623 4.536 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -16.302 7.738 5.240 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -14.934 6.930 5.982 1.00 0.00 H new ATOM 658 N LYS A 42 -12.115 8.406 2.318 1.00 0.00 N ATOM 659 CA LYS A 42 -11.274 9.095 1.342 1.00 0.00 C ATOM 660 C LYS A 42 -11.597 8.717 -0.114 1.00 0.00 C ATOM 661 O LYS A 42 -11.378 9.519 -1.020 1.00 0.00 O ATOM 662 CB LYS A 42 -9.795 8.810 1.647 1.00 0.00 C ATOM 663 CG LYS A 42 -9.349 9.239 3.045 1.00 0.00 C ATOM 664 CD LYS A 42 -9.532 10.739 3.340 1.00 0.00 C ATOM 665 CE LYS A 42 -10.830 11.116 4.073 1.00 0.00 C ATOM 666 NZ LYS A 42 -10.903 10.516 5.416 1.00 0.00 N ATOM 0 H LYS A 42 -11.604 7.772 2.932 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.483 10.161 1.436 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -9.611 7.742 1.531 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.178 9.322 0.908 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.909 8.665 3.783 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.297 8.982 3.172 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.686 11.080 3.937 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.497 11.284 2.397 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.896 12.201 4.157 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.687 10.789 3.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.724 10.902 5.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -11.003 9.484 5.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.034 10.737 5.943 1.00 0.00 H new ATOM 680 N PHE A 43 -12.112 7.507 -0.357 1.00 0.00 N ATOM 681 CA PHE A 43 -12.408 7.028 -1.700 1.00 0.00 C ATOM 682 C PHE A 43 -13.815 7.419 -2.105 1.00 0.00 C ATOM 683 O PHE A 43 -14.746 6.695 -1.754 1.00 0.00 O ATOM 684 CB PHE A 43 -12.335 5.499 -1.741 1.00 0.00 C ATOM 685 CG PHE A 43 -10.991 4.899 -1.430 1.00 0.00 C ATOM 686 CD1 PHE A 43 -10.581 4.755 -0.098 1.00 0.00 C ATOM 687 CD2 PHE A 43 -10.137 4.500 -2.467 1.00 0.00 C ATOM 688 CE1 PHE A 43 -9.322 4.222 0.198 1.00 0.00 C ATOM 689 CE2 PHE A 43 -8.849 4.040 -2.170 1.00 0.00 C ATOM 690 CZ PHE A 43 -8.439 3.870 -0.838 1.00 0.00 C ATOM 0 H PHE A 43 -12.334 6.835 0.378 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.678 7.472 -2.377 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -13.062 5.100 -1.034 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -12.640 5.166 -2.733 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -11.239 5.057 0.703 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -10.472 4.547 -3.493 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -9.027 4.080 1.227 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -8.164 3.814 -2.973 1.00 0.00 H new ATOM 0 HZ PHE A 43 -7.460 3.475 -0.612 1.00 0.00 H new ATOM 700 N ASP A 44 -13.980 8.442 -2.948 1.00 0.00 N ATOM 701 CA ASP A 44 -15.301 8.892 -3.384 1.00 0.00 C ATOM 702 C ASP A 44 -16.115 7.733 -3.977 1.00 0.00 C ATOM 703 O ASP A 44 -17.319 7.621 -3.757 1.00 0.00 O ATOM 704 CB ASP A 44 -15.175 10.031 -4.402 1.00 0.00 C ATOM 705 CG ASP A 44 -16.551 10.596 -4.739 1.00 0.00 C ATOM 706 OD1 ASP A 44 -17.132 11.239 -3.838 1.00 0.00 O ATOM 707 OD2 ASP A 44 -16.997 10.369 -5.885 1.00 0.00 O ATOM 0 H ASP A 44 -13.207 8.977 -3.344 1.00 0.00 H new ATOM 0 HA ASP A 44 -15.832 9.264 -2.508 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -14.540 10.820 -3.999 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -14.693 9.666 -5.309 1.00 0.00 H new ATOM 712 N ARG A 45 -15.444 6.876 -4.746 1.00 0.00 N ATOM 713 CA ARG A 45 -16.037 5.712 -5.393 1.00 0.00 C ATOM 714 C ARG A 45 -16.370 4.558 -4.437 1.00 0.00 C ATOM 715 O ARG A 45 -17.082 3.638 -4.846 1.00 0.00 O ATOM 716 CB ARG A 45 -15.078 5.215 -6.483 1.00 0.00 C ATOM 717 CG ARG A 45 -13.735 4.777 -5.884 1.00 0.00 C ATOM 718 CD ARG A 45 -12.562 5.205 -6.756 1.00 0.00 C ATOM 719 NE ARG A 45 -12.403 4.375 -7.949 1.00 0.00 N ATOM 720 CZ ARG A 45 -11.448 4.609 -8.858 1.00 0.00 C ATOM 721 NH1 ARG A 45 -10.677 5.703 -8.762 1.00 0.00 N ATOM 722 NH2 ARG A 45 -11.272 3.744 -9.861 1.00 0.00 N ATOM 0 H ARG A 45 -14.448 6.977 -4.940 1.00 0.00 H new ATOM 0 HA ARG A 45 -16.990 6.036 -5.810 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -15.531 4.379 -7.016 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -14.912 6.007 -7.214 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -13.624 5.206 -4.888 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -13.725 3.693 -5.767 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -12.701 6.243 -7.058 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.645 5.165 -6.167 1.00 0.00 H new ATOM 0 HE ARG A 45 -13.040 3.592 -8.094 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.817 6.360 -7.995 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -9.951 5.878 -9.456 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -11.862 2.915 -9.929 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -10.547 3.913 -10.559 1.00 0.00 H new ATOM 736 N PHE A 46 -15.839 4.554 -3.204 1.00 0.00 N ATOM 737 CA PHE A 46 -16.079 3.465 -2.269 1.00 0.00 C ATOM 738 C PHE A 46 -16.933 3.898 -1.076 1.00 0.00 C ATOM 739 O PHE A 46 -17.914 3.212 -0.800 1.00 0.00 O ATOM 740 CB PHE A 46 -14.787 2.680 -1.924 1.00 0.00 C ATOM 741 CG PHE A 46 -14.048 2.114 -3.129 1.00 0.00 C ATOM 742 CD1 PHE A 46 -14.738 1.468 -4.178 1.00 0.00 C ATOM 743 CD2 PHE A 46 -12.662 2.322 -3.245 1.00 0.00 C ATOM 744 CE1 PHE A 46 -14.049 1.083 -5.342 1.00 0.00 C ATOM 745 CE2 PHE A 46 -11.980 1.978 -4.424 1.00 0.00 C ATOM 746 CZ PHE A 46 -12.676 1.361 -5.476 1.00 0.00 C ATOM 0 H PHE A 46 -15.242 5.297 -2.840 1.00 0.00 H new ATOM 0 HA PHE A 46 -16.699 2.725 -2.776 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -14.112 3.339 -1.377 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -15.044 1.860 -1.254 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -15.796 1.269 -4.086 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -12.116 2.751 -2.418 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -14.575 0.573 -6.135 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -10.925 2.187 -4.521 1.00 0.00 H new ATOM 0 HZ PHE A 46 -12.158 1.100 -6.387 1.00 0.00 H new ATOM 756 N LYS A 47 -16.590 4.995 -0.386 1.00 0.00 N ATOM 757 CA LYS A 47 -17.261 5.555 0.803 1.00 0.00 C ATOM 758 C LYS A 47 -18.320 4.659 1.473 1.00 0.00 C ATOM 759 O LYS A 47 -18.067 4.023 2.493 1.00 0.00 O ATOM 760 CB LYS A 47 -17.862 6.950 0.523 1.00 0.00 C ATOM 761 CG LYS A 47 -16.850 7.928 -0.068 1.00 0.00 C ATOM 762 CD LYS A 47 -17.302 9.393 -0.023 1.00 0.00 C ATOM 763 CE LYS A 47 -18.522 9.638 -0.921 1.00 0.00 C ATOM 764 NZ LYS A 47 -18.665 11.065 -1.255 1.00 0.00 N ATOM 0 H LYS A 47 -15.782 5.555 -0.660 1.00 0.00 H new ATOM 0 HA LYS A 47 -16.448 5.631 1.525 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -18.702 6.846 -0.163 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -18.258 7.362 1.451 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -15.908 7.832 0.472 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -16.653 7.650 -1.104 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -17.545 9.668 1.004 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -16.482 10.037 -0.340 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -18.424 9.056 -1.838 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -19.423 9.289 -0.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -19.672 11.294 -1.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -18.270 11.643 -0.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -18.154 11.268 -2.138 1.00 0.00 H new ATOM 778 N HIS A 48 -19.531 4.654 0.908 1.00 0.00 N ATOM 779 CA HIS A 48 -20.719 3.954 1.379 1.00 0.00 C ATOM 780 C HIS A 48 -20.588 2.438 1.566 1.00 0.00 C ATOM 781 O HIS A 48 -21.395 1.855 2.292 1.00 0.00 O ATOM 782 CB HIS A 48 -21.875 4.238 0.410 1.00 0.00 C ATOM 783 CG HIS A 48 -21.683 3.705 -0.993 1.00 0.00 C ATOM 784 ND1 HIS A 48 -20.525 3.733 -1.752 1.00 0.00 N ATOM 785 CD2 HIS A 48 -22.668 3.140 -1.755 1.00 0.00 C ATOM 786 CE1 HIS A 48 -20.814 3.222 -2.961 1.00 0.00 C ATOM 787 NE2 HIS A 48 -22.106 2.847 -2.980 1.00 0.00 N ATOM 0 H HIS A 48 -19.714 5.176 0.051 1.00 0.00 H new ATOM 0 HA HIS A 48 -20.897 4.343 2.381 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -22.788 3.809 0.823 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -22.026 5.316 0.355 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -19.615 4.080 -1.448 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -23.690 2.958 -1.455 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -20.121 3.128 -3.784 1.00 0.00 H new ATOM 796 N LEU A 49 -19.680 1.771 0.853 1.00 0.00 N ATOM 797 CA LEU A 49 -19.553 0.323 0.931 1.00 0.00 C ATOM 798 C LEU A 49 -18.905 -0.105 2.247 1.00 0.00 C ATOM 799 O LEU A 49 -17.755 -0.530 2.269 1.00 0.00 O ATOM 800 CB LEU A 49 -18.795 -0.227 -0.292 1.00 0.00 C ATOM 801 CG LEU A 49 -19.431 0.165 -1.636 1.00 0.00 C ATOM 802 CD1 LEU A 49 -18.536 -0.316 -2.785 1.00 0.00 C ATOM 803 CD2 LEU A 49 -20.845 -0.406 -1.791 1.00 0.00 C ATOM 0 H LEU A 49 -19.021 2.216 0.214 1.00 0.00 H new ATOM 0 HA LEU A 49 -20.554 -0.109 0.914 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -17.768 0.136 -0.266 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -18.751 -1.314 -0.223 1.00 0.00 H new ATOM 0 HG LEU A 49 -19.517 1.251 -1.663 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -18.987 -0.038 -3.738 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -17.553 0.148 -2.699 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -18.431 -1.400 -2.735 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -21.256 -0.104 -2.754 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -20.806 -1.494 -1.738 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -21.480 -0.026 -0.991 1.00 0.00 H new ATOM 815 N LYS A 50 -19.645 0.029 3.350 1.00 0.00 N ATOM 816 CA LYS A 50 -19.186 -0.372 4.672 1.00 0.00 C ATOM 817 C LYS A 50 -19.223 -1.896 4.830 1.00 0.00 C ATOM 818 O LYS A 50 -18.508 -2.458 5.657 1.00 0.00 O ATOM 819 CB LYS A 50 -20.053 0.299 5.744 1.00 0.00 C ATOM 820 CG LYS A 50 -20.096 1.831 5.665 1.00 0.00 C ATOM 821 CD LYS A 50 -18.689 2.437 5.678 1.00 0.00 C ATOM 822 CE LYS A 50 -18.711 3.946 5.940 1.00 0.00 C ATOM 823 NZ LYS A 50 -19.461 4.669 4.899 1.00 0.00 N ATOM 0 H LYS A 50 -20.586 0.422 3.345 1.00 0.00 H new ATOM 0 HA LYS A 50 -18.152 -0.050 4.793 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -21.070 -0.084 5.662 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -19.681 0.009 6.727 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -20.615 2.134 4.756 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -20.669 2.223 6.505 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -18.091 1.946 6.445 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -18.203 2.243 4.722 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -19.161 4.140 6.914 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -17.689 4.323 5.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -19.411 5.692 5.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -19.047 4.464 3.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -20.455 4.363 4.912 1.00 0.00 H new ATOM 837 N THR A 51 -20.046 -2.565 4.027 1.00 0.00 N ATOM 838 CA THR A 51 -20.226 -4.000 4.032 1.00 0.00 C ATOM 839 C THR A 51 -19.105 -4.693 3.246 1.00 0.00 C ATOM 840 O THR A 51 -19.025 -4.593 2.020 1.00 0.00 O ATOM 841 CB THR A 51 -21.610 -4.281 3.433 1.00 0.00 C ATOM 842 OG1 THR A 51 -21.857 -3.355 2.388 1.00 0.00 O ATOM 843 CG2 THR A 51 -22.710 -4.097 4.485 1.00 0.00 C ATOM 0 H THR A 51 -20.625 -2.097 3.330 1.00 0.00 H new ATOM 0 HA THR A 51 -20.173 -4.399 5.045 1.00 0.00 H new ATOM 0 HB THR A 51 -21.621 -5.308 3.068 1.00 0.00 H new ATOM 0 HG1 THR A 51 -22.372 -3.792 1.678 1.00 0.00 H new ATOM 0 HG21 THR A 51 -23.682 -4.302 4.035 1.00 0.00 H new ATOM 0 HG22 THR A 51 -22.541 -4.786 5.313 1.00 0.00 H new ATOM 0 HG23 THR A 51 -22.691 -3.072 4.856 1.00 0.00 H new ATOM 851 N GLU A 52 -18.246 -5.433 3.955 1.00 0.00 N ATOM 852 CA GLU A 52 -17.143 -6.190 3.370 1.00 0.00 C ATOM 853 C GLU A 52 -17.620 -7.033 2.186 1.00 0.00 C ATOM 854 O GLU A 52 -16.941 -7.096 1.165 1.00 0.00 O ATOM 855 CB GLU A 52 -16.452 -7.057 4.432 1.00 0.00 C ATOM 856 CG GLU A 52 -15.621 -6.236 5.434 1.00 0.00 C ATOM 857 CD GLU A 52 -16.443 -5.343 6.362 1.00 0.00 C ATOM 858 OE1 GLU A 52 -17.605 -5.719 6.637 1.00 0.00 O ATOM 859 OE2 GLU A 52 -15.893 -4.304 6.784 1.00 0.00 O ATOM 0 H GLU A 52 -18.302 -5.522 4.970 1.00 0.00 H new ATOM 0 HA GLU A 52 -16.409 -5.479 2.991 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -17.207 -7.626 4.975 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -15.803 -7.779 3.937 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -15.028 -6.920 6.041 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -14.919 -5.613 4.879 1.00 0.00 H new ATOM 866 N ALA A 53 -18.797 -7.653 2.309 1.00 0.00 N ATOM 867 CA ALA A 53 -19.404 -8.448 1.247 1.00 0.00 C ATOM 868 C ALA A 53 -19.441 -7.685 -0.084 1.00 0.00 C ATOM 869 O ALA A 53 -19.127 -8.248 -1.130 1.00 0.00 O ATOM 870 CB ALA A 53 -20.815 -8.872 1.666 1.00 0.00 C ATOM 0 H ALA A 53 -19.358 -7.614 3.160 1.00 0.00 H new ATOM 0 HA ALA A 53 -18.790 -9.335 1.091 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -21.267 -9.466 0.872 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -20.760 -9.467 2.578 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -21.423 -7.985 1.847 1.00 0.00 H new ATOM 876 N GLU A 54 -19.758 -6.384 -0.048 1.00 0.00 N ATOM 877 CA GLU A 54 -19.807 -5.575 -1.257 1.00 0.00 C ATOM 878 C GLU A 54 -18.377 -5.255 -1.677 1.00 0.00 C ATOM 879 O GLU A 54 -18.033 -5.437 -2.842 1.00 0.00 O ATOM 880 CB GLU A 54 -20.650 -4.308 -1.065 1.00 0.00 C ATOM 881 CG GLU A 54 -22.152 -4.583 -1.240 1.00 0.00 C ATOM 882 CD GLU A 54 -22.710 -5.590 -0.237 1.00 0.00 C ATOM 883 OE1 GLU A 54 -23.143 -5.131 0.842 1.00 0.00 O ATOM 884 OE2 GLU A 54 -22.700 -6.797 -0.565 1.00 0.00 O ATOM 0 H GLU A 54 -19.983 -5.876 0.808 1.00 0.00 H new ATOM 0 HA GLU A 54 -20.300 -6.136 -2.051 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -20.470 -3.900 -0.070 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -20.334 -3.550 -1.782 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -22.698 -3.645 -1.143 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -22.330 -4.952 -2.250 1.00 0.00 H new ATOM 891 N MET A 55 -17.520 -4.864 -0.725 1.00 0.00 N ATOM 892 CA MET A 55 -16.128 -4.532 -1.025 1.00 0.00 C ATOM 893 C MET A 55 -15.502 -5.677 -1.842 1.00 0.00 C ATOM 894 O MET A 55 -15.013 -5.487 -2.956 1.00 0.00 O ATOM 895 CB MET A 55 -15.322 -4.325 0.261 1.00 0.00 C ATOM 896 CG MET A 55 -15.805 -3.238 1.226 1.00 0.00 C ATOM 897 SD MET A 55 -14.795 -3.216 2.734 1.00 0.00 S ATOM 898 CE MET A 55 -15.836 -2.263 3.846 1.00 0.00 C ATOM 0 H MET A 55 -17.770 -4.771 0.259 1.00 0.00 H new ATOM 0 HA MET A 55 -16.107 -3.604 -1.596 1.00 0.00 H new ATOM 0 HB2 MET A 55 -15.301 -5.271 0.802 1.00 0.00 H new ATOM 0 HB3 MET A 55 -14.294 -4.095 -0.019 1.00 0.00 H new ATOM 0 HG2 MET A 55 -15.757 -2.265 0.737 1.00 0.00 H new ATOM 0 HG3 MET A 55 -16.849 -3.414 1.485 1.00 0.00 H new ATOM 0 HE1 MET A 55 -15.601 -2.524 4.878 1.00 0.00 H new ATOM 0 HE2 MET A 55 -15.656 -1.199 3.691 1.00 0.00 H new ATOM 0 HE3 MET A 55 -16.884 -2.487 3.645 1.00 0.00 H new ATOM 908 N LYS A 56 -15.663 -6.902 -1.331 1.00 0.00 N ATOM 909 CA LYS A 56 -15.157 -8.127 -1.920 1.00 0.00 C ATOM 910 C LYS A 56 -15.607 -8.291 -3.374 1.00 0.00 C ATOM 911 O LYS A 56 -14.836 -8.793 -4.193 1.00 0.00 O ATOM 912 CB LYS A 56 -15.581 -9.319 -1.045 1.00 0.00 C ATOM 913 CG LYS A 56 -14.935 -10.631 -1.506 1.00 0.00 C ATOM 914 CD LYS A 56 -15.339 -11.769 -0.561 1.00 0.00 C ATOM 915 CE LYS A 56 -14.703 -13.101 -0.978 1.00 0.00 C ATOM 916 NZ LYS A 56 -15.196 -13.565 -2.288 1.00 0.00 N ATOM 0 H LYS A 56 -16.171 -7.064 -0.461 1.00 0.00 H new ATOM 0 HA LYS A 56 -14.068 -8.083 -1.950 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -15.305 -9.124 -0.009 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -16.666 -9.420 -1.072 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -15.248 -10.863 -2.524 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -13.850 -10.527 -1.522 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -15.036 -11.523 0.457 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -16.424 -11.869 -0.554 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -13.620 -12.988 -1.018 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -14.917 -13.857 -0.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -14.847 -14.528 -2.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -16.236 -13.568 -2.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -14.853 -12.926 -3.034 1.00 0.00 H new ATOM 930 N ALA A 57 -16.836 -7.873 -3.690 1.00 0.00 N ATOM 931 CA ALA A 57 -17.420 -7.973 -5.021 1.00 0.00 C ATOM 932 C ALA A 57 -17.221 -6.707 -5.862 1.00 0.00 C ATOM 933 O ALA A 57 -17.616 -6.689 -7.029 1.00 0.00 O ATOM 934 CB ALA A 57 -18.910 -8.291 -4.869 1.00 0.00 C ATOM 0 H ALA A 57 -17.463 -7.446 -3.008 1.00 0.00 H new ATOM 0 HA ALA A 57 -16.907 -8.770 -5.559 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -19.368 -8.370 -5.855 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -19.028 -9.235 -4.337 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -19.397 -7.494 -4.306 1.00 0.00 H new ATOM 940 N SER A 58 -16.677 -5.624 -5.296 1.00 0.00 N ATOM 941 CA SER A 58 -16.475 -4.399 -6.051 1.00 0.00 C ATOM 942 C SER A 58 -15.332 -4.575 -7.049 1.00 0.00 C ATOM 943 O SER A 58 -14.158 -4.562 -6.684 1.00 0.00 O ATOM 944 CB SER A 58 -16.267 -3.199 -5.119 1.00 0.00 C ATOM 945 OG SER A 58 -15.969 -2.039 -5.881 1.00 0.00 O ATOM 0 H SER A 58 -16.373 -5.578 -4.323 1.00 0.00 H new ATOM 0 HA SER A 58 -17.377 -4.186 -6.625 1.00 0.00 H new ATOM 0 HB2 SER A 58 -17.164 -3.032 -4.522 1.00 0.00 H new ATOM 0 HB3 SER A 58 -15.454 -3.405 -4.422 1.00 0.00 H new ATOM 0 HG SER A 58 -15.839 -1.277 -5.279 1.00 0.00 H new ATOM 951 N GLU A 59 -15.677 -4.752 -8.324 1.00 0.00 N ATOM 952 CA GLU A 59 -14.704 -4.878 -9.396 1.00 0.00 C ATOM 953 C GLU A 59 -13.832 -3.626 -9.457 1.00 0.00 C ATOM 954 O GLU A 59 -12.630 -3.712 -9.696 1.00 0.00 O ATOM 955 CB GLU A 59 -15.419 -5.167 -10.720 1.00 0.00 C ATOM 956 CG GLU A 59 -14.419 -5.526 -11.825 1.00 0.00 C ATOM 957 CD GLU A 59 -15.134 -5.936 -13.107 1.00 0.00 C ATOM 958 OE1 GLU A 59 -15.419 -5.026 -13.915 1.00 0.00 O ATOM 959 OE2 GLU A 59 -15.392 -7.151 -13.247 1.00 0.00 O ATOM 0 H GLU A 59 -16.645 -4.812 -8.638 1.00 0.00 H new ATOM 0 HA GLU A 59 -14.041 -5.721 -9.201 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -16.124 -5.987 -10.584 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -15.999 -4.295 -11.021 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.772 -4.672 -12.024 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.778 -6.340 -11.488 1.00 0.00 H new ATOM 966 N ASP A 60 -14.424 -2.461 -9.187 1.00 0.00 N ATOM 967 CA ASP A 60 -13.670 -1.219 -9.142 1.00 0.00 C ATOM 968 C ASP A 60 -12.681 -1.289 -7.971 1.00 0.00 C ATOM 969 O ASP A 60 -11.527 -0.893 -8.119 1.00 0.00 O ATOM 970 CB ASP A 60 -14.615 -0.014 -9.083 1.00 0.00 C ATOM 971 CG ASP A 60 -13.848 1.306 -9.042 1.00 0.00 C ATOM 972 OD1 ASP A 60 -12.872 1.431 -9.814 1.00 0.00 O ATOM 973 OD2 ASP A 60 -14.258 2.181 -8.251 1.00 0.00 O ATOM 0 H ASP A 60 -15.421 -2.358 -8.997 1.00 0.00 H new ATOM 0 HA ASP A 60 -13.089 -1.084 -10.054 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -15.273 -0.025 -9.952 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -15.250 -0.093 -8.201 1.00 0.00 H new ATOM 978 N LEU A 61 -13.089 -1.863 -6.829 1.00 0.00 N ATOM 979 CA LEU A 61 -12.160 -2.046 -5.712 1.00 0.00 C ATOM 980 C LEU A 61 -11.027 -2.972 -6.164 1.00 0.00 C ATOM 981 O LEU A 61 -9.864 -2.614 -6.008 1.00 0.00 O ATOM 982 CB LEU A 61 -12.856 -2.521 -4.433 1.00 0.00 C ATOM 983 CG LEU A 61 -11.936 -2.498 -3.202 1.00 0.00 C ATOM 984 CD1 LEU A 61 -11.578 -1.071 -2.794 1.00 0.00 C ATOM 985 CD2 LEU A 61 -12.647 -3.179 -2.029 1.00 0.00 C ATOM 0 H LEU A 61 -14.036 -2.201 -6.659 1.00 0.00 H new ATOM 0 HA LEU A 61 -11.733 -1.081 -5.440 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -13.724 -1.889 -4.243 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -13.227 -3.535 -4.583 1.00 0.00 H new ATOM 0 HG LEU A 61 -11.017 -3.025 -3.460 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -10.927 -1.095 -1.920 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -11.063 -0.576 -3.617 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -12.488 -0.522 -2.553 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -11.998 -3.165 -1.153 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -13.571 -2.646 -1.805 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -12.878 -4.211 -2.293 1.00 0.00 H new ATOM 997 N LYS A 62 -11.344 -4.068 -6.874 1.00 0.00 N ATOM 998 CA LYS A 62 -10.309 -4.981 -7.370 1.00 0.00 C ATOM 999 C LYS A 62 -9.313 -4.203 -8.238 1.00 0.00 C ATOM 1000 O LYS A 62 -8.106 -4.219 -7.996 1.00 0.00 O ATOM 1001 CB LYS A 62 -10.899 -6.141 -8.194 1.00 0.00 C ATOM 1002 CG LYS A 62 -11.853 -7.050 -7.415 1.00 0.00 C ATOM 1003 CD LYS A 62 -12.481 -8.100 -8.343 1.00 0.00 C ATOM 1004 CE LYS A 62 -13.690 -8.772 -7.681 1.00 0.00 C ATOM 1005 NZ LYS A 62 -13.310 -9.496 -6.457 1.00 0.00 N ATOM 0 H LYS A 62 -12.298 -4.338 -7.113 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.809 -5.410 -6.502 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.430 -5.728 -9.052 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.081 -6.745 -8.586 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.313 -7.546 -6.609 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -12.637 -6.451 -6.952 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.790 -7.627 -9.275 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -11.737 -8.854 -8.599 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -14.438 -8.017 -7.439 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -14.151 -9.465 -8.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -13.532 -10.506 -6.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -12.290 -9.383 -6.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -13.839 -9.112 -5.648 1.00 0.00 H new ATOM 1019 N LYS A 63 -9.838 -3.491 -9.240 1.00 0.00 N ATOM 1020 CA LYS A 63 -9.048 -2.667 -10.141 1.00 0.00 C ATOM 1021 C LYS A 63 -8.180 -1.693 -9.342 1.00 0.00 C ATOM 1022 O LYS A 63 -7.030 -1.430 -9.717 1.00 0.00 O ATOM 1023 CB LYS A 63 -9.986 -1.935 -11.117 1.00 0.00 C ATOM 1024 CG LYS A 63 -9.294 -0.898 -12.016 1.00 0.00 C ATOM 1025 CD LYS A 63 -8.158 -1.502 -12.856 1.00 0.00 C ATOM 1026 CE LYS A 63 -7.549 -0.469 -13.814 1.00 0.00 C ATOM 1027 NZ LYS A 63 -6.980 0.688 -13.098 1.00 0.00 N ATOM 0 H LYS A 63 -10.837 -3.475 -9.445 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.375 -3.295 -10.725 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.478 -2.674 -11.750 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.767 -1.435 -10.544 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -10.032 -0.450 -12.681 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.894 -0.095 -11.396 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.382 -1.887 -12.195 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.539 -2.348 -13.428 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.770 -0.944 -14.410 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.315 -0.124 -14.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.301 1.178 -13.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.744 1.343 -12.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.494 0.360 -12.239 1.00 0.00 H new ATOM 1041 N HIS A 64 -8.734 -1.080 -8.292 1.00 0.00 N ATOM 1042 CA HIS A 64 -7.910 -0.199 -7.500 1.00 0.00 C ATOM 1043 C HIS A 64 -6.804 -0.967 -6.817 1.00 0.00 C ATOM 1044 O HIS A 64 -5.656 -0.587 -6.970 1.00 0.00 O ATOM 1045 CB HIS A 64 -8.663 0.635 -6.469 1.00 0.00 C ATOM 1046 CG HIS A 64 -8.065 2.008 -6.372 1.00 0.00 C ATOM 1047 ND1 HIS A 64 -7.524 2.737 -7.407 1.00 0.00 N ATOM 1048 CD2 HIS A 64 -7.728 2.629 -5.208 1.00 0.00 C ATOM 1049 CE1 HIS A 64 -6.877 3.782 -6.871 1.00 0.00 C ATOM 1050 NE2 HIS A 64 -6.994 3.771 -5.534 1.00 0.00 N ATOM 0 H HIS A 64 -9.703 -1.177 -7.990 1.00 0.00 H new ATOM 0 HA HIS A 64 -7.498 0.510 -8.218 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -9.714 0.708 -6.748 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -8.624 0.145 -5.496 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -7.983 2.298 -4.212 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -6.337 4.528 -7.436 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -6.620 4.462 -4.883 1.00 0.00 H new ATOM 1058 N GLY A 65 -7.128 -2.052 -6.113 1.00 0.00 N ATOM 1059 CA GLY A 65 -6.144 -2.886 -5.445 1.00 0.00 C ATOM 1060 C GLY A 65 -5.014 -3.221 -6.423 1.00 0.00 C ATOM 1061 O GLY A 65 -3.839 -3.109 -6.078 1.00 0.00 O ATOM 0 H GLY A 65 -8.088 -2.374 -5.993 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -5.744 -2.368 -4.573 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -6.612 -3.802 -5.085 1.00 0.00 H new ATOM 1065 N VAL A 66 -5.365 -3.517 -7.680 1.00 0.00 N ATOM 1066 CA VAL A 66 -4.400 -3.817 -8.728 1.00 0.00 C ATOM 1067 C VAL A 66 -3.540 -2.572 -8.963 1.00 0.00 C ATOM 1068 O VAL A 66 -2.325 -2.642 -8.840 1.00 0.00 O ATOM 1069 CB VAL A 66 -5.091 -4.309 -10.014 1.00 0.00 C ATOM 1070 CG1 VAL A 66 -4.100 -4.416 -11.181 1.00 0.00 C ATOM 1071 CG2 VAL A 66 -5.695 -5.699 -9.794 1.00 0.00 C ATOM 0 H VAL A 66 -6.335 -3.554 -7.994 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.755 -4.638 -8.413 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.865 -3.581 -10.255 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.623 -4.766 -12.071 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.663 -3.437 -11.378 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.310 -5.121 -10.924 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.180 -6.034 -10.711 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.905 -6.400 -9.524 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.430 -5.653 -8.990 1.00 0.00 H new ATOM 1081 N THR A 67 -4.166 -1.422 -9.236 1.00 0.00 N ATOM 1082 CA THR A 67 -3.484 -0.144 -9.452 1.00 0.00 C ATOM 1083 C THR A 67 -2.478 0.138 -8.326 1.00 0.00 C ATOM 1084 O THR A 67 -1.302 0.422 -8.553 1.00 0.00 O ATOM 1085 CB THR A 67 -4.549 0.965 -9.581 1.00 0.00 C ATOM 1086 OG1 THR A 67 -5.450 0.657 -10.628 1.00 0.00 O ATOM 1087 CG2 THR A 67 -3.976 2.363 -9.823 1.00 0.00 C ATOM 0 H THR A 67 -5.181 -1.354 -9.314 1.00 0.00 H new ATOM 0 HA THR A 67 -2.904 -0.178 -10.374 1.00 0.00 H new ATOM 0 HB THR A 67 -5.056 0.992 -8.616 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.113 0.010 -10.309 1.00 0.00 H new ATOM 0 HG21 THR A 67 -4.792 3.082 -9.901 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.327 2.639 -8.992 1.00 0.00 H new ATOM 0 HG23 THR A 67 -3.400 2.365 -10.749 1.00 0.00 H new ATOM 1095 N VAL A 68 -2.975 0.008 -7.104 1.00 0.00 N ATOM 1096 CA VAL A 68 -2.306 0.254 -5.844 1.00 0.00 C ATOM 1097 C VAL A 68 -1.083 -0.655 -5.715 1.00 0.00 C ATOM 1098 O VAL A 68 0.050 -0.172 -5.754 1.00 0.00 O ATOM 1099 CB VAL A 68 -3.417 0.155 -4.777 1.00 0.00 C ATOM 1100 CG1 VAL A 68 -3.083 -0.075 -3.309 1.00 0.00 C ATOM 1101 CG2 VAL A 68 -4.193 1.471 -4.839 1.00 0.00 C ATOM 0 H VAL A 68 -3.938 -0.298 -6.962 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.852 1.238 -5.731 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.931 -0.766 -5.053 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.004 -0.113 -2.728 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.547 -1.018 -3.201 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -2.458 0.741 -2.946 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.995 1.455 -4.101 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.519 2.301 -4.625 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.618 1.596 -5.835 1.00 0.00 H new ATOM 1111 N LEU A 69 -1.280 -1.971 -5.638 1.00 0.00 N ATOM 1112 CA LEU A 69 -0.156 -2.893 -5.539 1.00 0.00 C ATOM 1113 C LEU A 69 0.786 -2.758 -6.732 1.00 0.00 C ATOM 1114 O LEU A 69 1.992 -2.834 -6.550 1.00 0.00 O ATOM 1115 CB LEU A 69 -0.627 -4.340 -5.352 1.00 0.00 C ATOM 1116 CG LEU A 69 -1.518 -4.524 -4.119 1.00 0.00 C ATOM 1117 CD1 LEU A 69 -1.719 -6.021 -3.883 1.00 0.00 C ATOM 1118 CD2 LEU A 69 -1.005 -3.880 -2.826 1.00 0.00 C ATOM 0 H LEU A 69 -2.198 -2.416 -5.642 1.00 0.00 H new ATOM 0 HA LEU A 69 0.409 -2.620 -4.648 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.175 -4.656 -6.240 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.243 -4.991 -5.266 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.448 -4.004 -4.348 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.352 -6.170 -3.008 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.197 -6.466 -4.756 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.752 -6.496 -3.717 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.712 -4.072 -2.019 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.035 -4.305 -2.568 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.903 -2.805 -2.971 1.00 0.00 H new ATOM 1130 N THR A 70 0.284 -2.556 -7.950 1.00 0.00 N ATOM 1131 CA THR A 70 1.153 -2.409 -9.114 1.00 0.00 C ATOM 1132 C THR A 70 2.052 -1.173 -8.968 1.00 0.00 C ATOM 1133 O THR A 70 3.210 -1.203 -9.387 1.00 0.00 O ATOM 1134 CB THR A 70 0.341 -2.396 -10.419 1.00 0.00 C ATOM 1135 OG1 THR A 70 -0.427 -3.579 -10.500 1.00 0.00 O ATOM 1136 CG2 THR A 70 1.249 -2.361 -11.652 1.00 0.00 C ATOM 0 H THR A 70 -0.713 -2.491 -8.154 1.00 0.00 H new ATOM 0 HA THR A 70 1.809 -3.278 -9.167 1.00 0.00 H new ATOM 0 HB THR A 70 -0.285 -1.504 -10.405 1.00 0.00 H new ATOM 0 HG1 THR A 70 -1.293 -3.437 -10.063 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.637 -2.353 -12.554 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.866 -1.463 -11.624 1.00 0.00 H new ATOM 0 HG23 THR A 70 1.890 -3.242 -11.657 1.00 0.00 H new ATOM 1144 N ALA A 71 1.532 -0.067 -8.426 1.00 0.00 N ATOM 1145 CA ALA A 71 2.352 1.114 -8.216 1.00 0.00 C ATOM 1146 C ALA A 71 3.478 0.822 -7.225 1.00 0.00 C ATOM 1147 O ALA A 71 4.657 0.944 -7.575 1.00 0.00 O ATOM 1148 CB ALA A 71 1.486 2.303 -7.799 1.00 0.00 C ATOM 0 H ALA A 71 0.560 0.028 -8.131 1.00 0.00 H new ATOM 0 HA ALA A 71 2.829 1.388 -9.157 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.118 3.178 -7.646 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.757 2.514 -8.581 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.965 2.066 -6.872 1.00 0.00 H new ATOM 1154 N LEU A 72 3.128 0.388 -6.009 1.00 0.00 N ATOM 1155 CA LEU A 72 4.140 0.032 -5.012 1.00 0.00 C ATOM 1156 C LEU A 72 5.076 -1.035 -5.601 1.00 0.00 C ATOM 1157 O LEU A 72 6.286 -1.012 -5.416 1.00 0.00 O ATOM 1158 CB LEU A 72 3.469 -0.481 -3.726 1.00 0.00 C ATOM 1159 CG LEU A 72 4.453 -0.749 -2.574 1.00 0.00 C ATOM 1160 CD1 LEU A 72 5.199 0.517 -2.144 1.00 0.00 C ATOM 1161 CD2 LEU A 72 3.692 -1.324 -1.374 1.00 0.00 C ATOM 0 H LEU A 72 2.164 0.276 -5.695 1.00 0.00 H new ATOM 0 HA LEU A 72 4.724 0.916 -4.755 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.730 0.250 -3.397 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.929 -1.401 -3.951 1.00 0.00 H new ATOM 0 HG LEU A 72 5.194 -1.463 -2.933 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.882 0.278 -1.329 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.766 0.910 -2.988 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.482 1.266 -1.809 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.389 -1.514 -0.558 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.936 -0.610 -1.047 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.209 -2.257 -1.663 1.00 0.00 H new ATOM 1173 N GLY A 73 4.504 -1.970 -6.354 1.00 0.00 N ATOM 1174 CA GLY A 73 5.176 -3.077 -7.001 1.00 0.00 C ATOM 1175 C GLY A 73 6.271 -2.559 -7.912 1.00 0.00 C ATOM 1176 O GLY A 73 7.418 -2.966 -7.782 1.00 0.00 O ATOM 0 H GLY A 73 3.500 -1.969 -6.535 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.601 -3.744 -6.251 1.00 0.00 H new ATOM 0 HA3 GLY A 73 4.459 -3.662 -7.577 1.00 0.00 H new ATOM 1180 N ALA A 74 5.932 -1.634 -8.809 1.00 0.00 N ATOM 1181 CA ALA A 74 6.887 -1.030 -9.725 1.00 0.00 C ATOM 1182 C ALA A 74 8.013 -0.365 -8.936 1.00 0.00 C ATOM 1183 O ALA A 74 9.192 -0.583 -9.209 1.00 0.00 O ATOM 1184 CB ALA A 74 6.175 -0.018 -10.625 1.00 0.00 C ATOM 0 H ALA A 74 4.980 -1.283 -8.918 1.00 0.00 H new ATOM 0 HA ALA A 74 7.323 -1.803 -10.358 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.895 0.431 -11.309 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.398 -0.524 -11.198 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.724 0.761 -10.011 1.00 0.00 H new ATOM 1190 N ILE A 75 7.668 0.352 -7.865 1.00 0.00 N ATOM 1191 CA ILE A 75 8.690 1.053 -7.092 1.00 0.00 C ATOM 1192 C ILE A 75 9.634 0.030 -6.447 1.00 0.00 C ATOM 1193 O ILE A 75 10.857 0.183 -6.480 1.00 0.00 O ATOM 1194 CB ILE A 75 8.054 2.004 -6.061 1.00 0.00 C ATOM 1195 CG1 ILE A 75 7.260 3.108 -6.786 1.00 0.00 C ATOM 1196 CG2 ILE A 75 9.155 2.638 -5.193 1.00 0.00 C ATOM 1197 CD1 ILE A 75 6.244 3.790 -5.867 1.00 0.00 C ATOM 0 H ILE A 75 6.714 0.461 -7.521 1.00 0.00 H new ATOM 0 HA ILE A 75 9.281 1.682 -7.758 1.00 0.00 H new ATOM 0 HB ILE A 75 7.375 1.438 -5.423 1.00 0.00 H new ATOM 0 HG12 ILE A 75 7.952 3.854 -7.176 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.741 2.677 -7.642 1.00 0.00 H new ATOM 0 HG21 ILE A 75 8.702 3.310 -4.464 1.00 0.00 H new ATOM 0 HG22 ILE A 75 9.704 1.854 -4.671 1.00 0.00 H new ATOM 0 HG23 ILE A 75 9.841 3.199 -5.828 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.710 4.560 -6.423 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.534 3.050 -5.498 1.00 0.00 H new ATOM 0 HD13 ILE A 75 6.764 4.246 -5.025 1.00 0.00 H new ATOM 1209 N LEU A 76 9.054 -1.001 -5.828 1.00 0.00 N ATOM 1210 CA LEU A 76 9.787 -2.085 -5.192 1.00 0.00 C ATOM 1211 C LEU A 76 10.680 -2.777 -6.231 1.00 0.00 C ATOM 1212 O LEU A 76 11.855 -3.033 -5.980 1.00 0.00 O ATOM 1213 CB LEU A 76 8.798 -3.099 -4.592 1.00 0.00 C ATOM 1214 CG LEU A 76 8.033 -2.649 -3.330 1.00 0.00 C ATOM 1215 CD1 LEU A 76 6.951 -3.688 -3.016 1.00 0.00 C ATOM 1216 CD2 LEU A 76 8.931 -2.496 -2.103 1.00 0.00 C ATOM 0 H LEU A 76 8.042 -1.103 -5.756 1.00 0.00 H new ATOM 0 HA LEU A 76 10.410 -1.682 -4.393 1.00 0.00 H new ATOM 0 HB2 LEU A 76 8.068 -3.359 -5.359 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.347 -4.010 -4.352 1.00 0.00 H new ATOM 0 HG LEU A 76 7.607 -1.669 -3.544 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.401 -3.383 -2.125 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.264 -3.763 -3.859 1.00 0.00 H new ATOM 0 HD13 LEU A 76 7.417 -4.657 -2.840 1.00 0.00 H new ATOM 0 HD21 LEU A 76 8.331 -2.178 -1.250 1.00 0.00 H new ATOM 0 HD22 LEU A 76 9.404 -3.452 -1.877 1.00 0.00 H new ATOM 0 HD23 LEU A 76 9.699 -1.750 -2.305 1.00 0.00 H new ATOM 1228 N LYS A 77 10.131 -3.051 -7.419 1.00 0.00 N ATOM 1229 CA LYS A 77 10.844 -3.696 -8.514 1.00 0.00 C ATOM 1230 C LYS A 77 12.053 -2.849 -8.894 1.00 0.00 C ATOM 1231 O LYS A 77 13.145 -3.377 -9.102 1.00 0.00 O ATOM 1232 CB LYS A 77 9.900 -3.946 -9.702 1.00 0.00 C ATOM 1233 CG LYS A 77 10.560 -4.826 -10.774 1.00 0.00 C ATOM 1234 CD LYS A 77 9.694 -4.943 -12.036 1.00 0.00 C ATOM 1235 CE LYS A 77 8.355 -5.640 -11.769 1.00 0.00 C ATOM 1236 NZ LYS A 77 7.598 -5.831 -13.019 1.00 0.00 N ATOM 0 H LYS A 77 9.162 -2.825 -7.645 1.00 0.00 H new ATOM 0 HA LYS A 77 11.207 -4.674 -8.198 1.00 0.00 H new ATOM 0 HB2 LYS A 77 8.988 -4.426 -9.348 1.00 0.00 H new ATOM 0 HB3 LYS A 77 9.608 -2.993 -10.142 1.00 0.00 H new ATOM 0 HG2 LYS A 77 11.531 -4.408 -11.038 1.00 0.00 H new ATOM 0 HG3 LYS A 77 10.741 -5.820 -10.365 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.507 -3.947 -12.438 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.242 -5.497 -12.798 1.00 0.00 H new ATOM 0 HE2 LYS A 77 8.532 -6.606 -11.296 1.00 0.00 H new ATOM 0 HE3 LYS A 77 7.765 -5.047 -11.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 6.696 -6.305 -12.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 7.410 -4.906 -13.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 8.153 -6.417 -13.675 1.00 0.00 H new ATOM 1250 N LYS A 78 11.877 -1.531 -8.973 1.00 0.00 N ATOM 1251 CA LYS A 78 12.969 -0.611 -9.246 1.00 0.00 C ATOM 1252 C LYS A 78 13.803 -0.335 -7.982 1.00 0.00 C ATOM 1253 O LYS A 78 14.335 0.767 -7.851 1.00 0.00 O ATOM 1254 CB LYS A 78 12.391 0.695 -9.808 1.00 0.00 C ATOM 1255 CG LYS A 78 11.640 0.548 -11.139 1.00 0.00 C ATOM 1256 CD LYS A 78 12.583 0.176 -12.291 1.00 0.00 C ATOM 1257 CE LYS A 78 11.868 0.222 -13.646 1.00 0.00 C ATOM 1258 NZ LYS A 78 11.477 1.594 -14.020 1.00 0.00 N ATOM 0 H LYS A 78 10.973 -1.076 -8.849 1.00 0.00 H new ATOM 0 HA LYS A 78 13.637 -1.064 -9.979 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.713 1.123 -9.070 1.00 0.00 H new ATOM 0 HB3 LYS A 78 13.205 1.407 -9.943 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.870 -0.217 -11.039 1.00 0.00 H new ATOM 0 HG3 LYS A 78 11.131 1.483 -11.374 1.00 0.00 H new ATOM 0 HD2 LYS A 78 13.431 0.861 -12.303 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.984 -0.824 -12.125 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.522 -0.191 -14.415 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.981 -0.410 -13.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.217 1.619 -15.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.663 1.892 -13.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.275 2.240 -13.853 1.00 0.00 H new ATOM 1272 N LYS A 79 13.913 -1.312 -7.064 1.00 0.00 N ATOM 1273 CA LYS A 79 14.649 -1.251 -5.801 1.00 0.00 C ATOM 1274 C LYS A 79 14.582 0.137 -5.156 1.00 0.00 C ATOM 1275 O LYS A 79 15.592 0.648 -4.673 1.00 0.00 O ATOM 1276 CB LYS A 79 16.080 -1.778 -5.995 1.00 0.00 C ATOM 1277 CG LYS A 79 16.918 -1.025 -7.038 1.00 0.00 C ATOM 1278 CD LYS A 79 18.420 -1.211 -6.780 1.00 0.00 C ATOM 1279 CE LYS A 79 18.848 -2.684 -6.776 1.00 0.00 C ATOM 1280 NZ LYS A 79 20.291 -2.819 -6.510 1.00 0.00 N ATOM 0 H LYS A 79 13.461 -2.217 -7.198 1.00 0.00 H new ATOM 0 HA LYS A 79 14.163 -1.911 -5.082 1.00 0.00 H new ATOM 0 HB2 LYS A 79 16.598 -1.736 -5.037 1.00 0.00 H new ATOM 0 HB3 LYS A 79 16.027 -2.828 -6.284 1.00 0.00 H new ATOM 0 HG2 LYS A 79 16.670 -1.385 -8.037 1.00 0.00 H new ATOM 0 HG3 LYS A 79 16.670 0.036 -7.011 1.00 0.00 H new ATOM 0 HD2 LYS A 79 18.984 -0.676 -7.545 1.00 0.00 H new ATOM 0 HD3 LYS A 79 18.677 -0.761 -5.821 1.00 0.00 H new ATOM 0 HE2 LYS A 79 18.283 -3.227 -6.018 1.00 0.00 H new ATOM 0 HE3 LYS A 79 18.609 -3.138 -7.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 20.552 -3.826 -6.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 20.828 -2.320 -7.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 20.513 -2.407 -5.581 1.00 0.00 H new ATOM 1294 N GLY A 80 13.387 0.743 -5.167 1.00 0.00 N ATOM 1295 CA GLY A 80 13.145 2.074 -4.637 1.00 0.00 C ATOM 1296 C GLY A 80 14.222 3.080 -5.046 1.00 0.00 C ATOM 1297 O GLY A 80 14.788 3.752 -4.180 1.00 0.00 O ATOM 0 H GLY A 80 12.551 0.306 -5.554 1.00 0.00 H new ATOM 0 HA2 GLY A 80 12.174 2.427 -4.984 1.00 0.00 H new ATOM 0 HA3 GLY A 80 13.096 2.024 -3.549 1.00 0.00 H new ATOM 1301 N HIS A 81 14.566 3.143 -6.340 1.00 0.00 N ATOM 1302 CA HIS A 81 15.558 4.116 -6.771 1.00 0.00 C ATOM 1303 C HIS A 81 15.075 5.561 -6.638 1.00 0.00 C ATOM 1304 O HIS A 81 15.890 6.438 -6.367 1.00 0.00 O ATOM 1305 CB HIS A 81 16.149 3.797 -8.148 1.00 0.00 C ATOM 1306 CG HIS A 81 15.287 4.196 -9.318 1.00 0.00 C ATOM 1307 ND1 HIS A 81 15.707 4.909 -10.424 1.00 0.00 N ATOM 1308 CD2 HIS A 81 13.969 3.882 -9.492 1.00 0.00 C ATOM 1309 CE1 HIS A 81 14.665 4.999 -11.270 1.00 0.00 C ATOM 1310 NE2 HIS A 81 13.602 4.380 -10.723 1.00 0.00 N ATOM 0 H HIS A 81 14.184 2.551 -7.077 1.00 0.00 H new ATOM 0 HA HIS A 81 16.389 4.024 -6.071 1.00 0.00 H new ATOM 0 HB2 HIS A 81 17.113 4.298 -8.238 1.00 0.00 H new ATOM 0 HB3 HIS A 81 16.340 2.725 -8.205 1.00 0.00 H new ATOM 0 HD2 HIS A 81 13.337 3.347 -8.799 1.00 0.00 H new ATOM 0 HE1 HIS A 81 14.679 5.489 -12.232 1.00 0.00 H new ATOM 0 HE2 HIS A 81 12.679 4.294 -11.149 1.00 0.00 H new ATOM 1319 N HIS A 82 13.762 5.795 -6.703 1.00 0.00 N ATOM 1320 CA HIS A 82 13.172 7.076 -6.467 1.00 0.00 C ATOM 1321 C HIS A 82 13.301 8.211 -7.466 1.00 0.00 C ATOM 1322 O HIS A 82 14.128 8.272 -8.370 1.00 0.00 O ATOM 1323 CB HIS A 82 13.310 7.490 -4.996 1.00 0.00 C ATOM 1324 CG HIS A 82 12.472 6.579 -4.150 1.00 0.00 C ATOM 1325 ND1 HIS A 82 12.895 5.676 -3.205 1.00 0.00 N ATOM 1326 CD2 HIS A 82 11.160 6.329 -4.409 1.00 0.00 C ATOM 1327 CE1 HIS A 82 11.823 4.952 -2.838 1.00 0.00 C ATOM 1328 NE2 HIS A 82 10.743 5.304 -3.555 1.00 0.00 N ATOM 0 H HIS A 82 13.081 5.070 -6.928 1.00 0.00 H new ATOM 0 HA HIS A 82 12.131 6.860 -6.707 1.00 0.00 H new ATOM 0 HB2 HIS A 82 14.354 7.436 -4.686 1.00 0.00 H new ATOM 0 HB3 HIS A 82 12.991 8.524 -4.865 1.00 0.00 H new ATOM 0 HD2 HIS A 82 10.549 6.833 -5.144 1.00 0.00 H new ATOM 0 HE1 HIS A 82 11.829 4.191 -2.071 1.00 0.00 H new ATOM 0 HE2 HIS A 82 9.807 4.904 -3.489 1.00 0.00 H new ATOM 1336 N GLU A 83 12.288 9.058 -7.292 1.00 0.00 N ATOM 1337 CA GLU A 83 11.873 10.274 -7.940 1.00 0.00 C ATOM 1338 C GLU A 83 11.470 10.106 -9.402 1.00 0.00 C ATOM 1339 O GLU A 83 10.659 10.873 -9.909 1.00 0.00 O ATOM 1340 CB GLU A 83 12.877 11.413 -7.709 1.00 0.00 C ATOM 1341 CG GLU A 83 13.057 11.685 -6.211 1.00 0.00 C ATOM 1342 CD GLU A 83 13.809 12.988 -5.971 1.00 0.00 C ATOM 1343 OE1 GLU A 83 13.121 14.032 -5.942 1.00 0.00 O ATOM 1344 OE2 GLU A 83 15.048 12.917 -5.826 1.00 0.00 O ATOM 0 H GLU A 83 11.625 8.849 -6.546 1.00 0.00 H new ATOM 0 HA GLU A 83 10.944 10.566 -7.450 1.00 0.00 H new ATOM 0 HB2 GLU A 83 13.837 11.153 -8.154 1.00 0.00 H new ATOM 0 HB3 GLU A 83 12.529 12.317 -8.208 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.081 11.732 -5.728 1.00 0.00 H new ATOM 0 HG3 GLU A 83 13.601 10.859 -5.752 1.00 0.00 H new ATOM 1351 N ALA A 84 12.016 9.094 -10.075 1.00 0.00 N ATOM 1352 CA ALA A 84 11.680 8.780 -11.462 1.00 0.00 C ATOM 1353 C ALA A 84 10.185 8.449 -11.576 1.00 0.00 C ATOM 1354 O ALA A 84 9.589 8.590 -12.640 1.00 0.00 O ATOM 1355 CB ALA A 84 12.541 7.613 -11.941 1.00 0.00 C ATOM 0 H ALA A 84 12.709 8.465 -9.670 1.00 0.00 H new ATOM 0 HA ALA A 84 11.883 9.643 -12.096 1.00 0.00 H new ATOM 0 HB1 ALA A 84 12.292 7.377 -12.976 1.00 0.00 H new ATOM 0 HB2 ALA A 84 13.594 7.887 -11.875 1.00 0.00 H new ATOM 0 HB3 ALA A 84 12.353 6.741 -11.315 1.00 0.00 H new ATOM 1361 N GLU A 85 9.604 7.972 -10.470 1.00 0.00 N ATOM 1362 CA GLU A 85 8.194 7.708 -10.241 1.00 0.00 C ATOM 1363 C GLU A 85 7.912 8.234 -8.826 1.00 0.00 C ATOM 1364 O GLU A 85 8.710 9.002 -8.285 1.00 0.00 O ATOM 1365 CB GLU A 85 7.875 6.203 -10.361 1.00 0.00 C ATOM 1366 CG GLU A 85 8.750 5.402 -11.342 1.00 0.00 C ATOM 1367 CD GLU A 85 10.134 5.027 -10.799 1.00 0.00 C ATOM 1368 OE1 GLU A 85 10.412 5.332 -9.617 1.00 0.00 O ATOM 1369 OE2 GLU A 85 10.905 4.432 -11.584 1.00 0.00 O ATOM 0 H GLU A 85 10.162 7.744 -9.647 1.00 0.00 H new ATOM 0 HA GLU A 85 7.565 8.197 -10.985 1.00 0.00 H new ATOM 0 HB2 GLU A 85 7.967 5.753 -9.373 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.833 6.096 -10.664 1.00 0.00 H new ATOM 0 HG2 GLU A 85 8.222 4.489 -11.618 1.00 0.00 H new ATOM 0 HG3 GLU A 85 8.877 5.984 -12.254 1.00 0.00 H new ATOM 1376 N LEU A 86 6.801 7.807 -8.218 1.00 0.00 N ATOM 1377 CA LEU A 86 6.371 8.166 -6.865 1.00 0.00 C ATOM 1378 C LEU A 86 5.873 9.615 -6.774 1.00 0.00 C ATOM 1379 O LEU A 86 4.740 9.827 -6.366 1.00 0.00 O ATOM 1380 CB LEU A 86 7.474 7.879 -5.837 1.00 0.00 C ATOM 1381 CG LEU A 86 7.041 8.145 -4.393 1.00 0.00 C ATOM 1382 CD1 LEU A 86 5.818 7.312 -4.010 1.00 0.00 C ATOM 1383 CD2 LEU A 86 8.218 7.791 -3.483 1.00 0.00 C ATOM 0 H LEU A 86 6.148 7.173 -8.678 1.00 0.00 H new ATOM 0 HA LEU A 86 5.518 7.531 -6.623 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.785 6.839 -5.930 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.344 8.494 -6.067 1.00 0.00 H new ATOM 0 HG LEU A 86 6.763 9.193 -4.285 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.540 7.527 -2.978 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.987 7.561 -4.670 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.054 6.252 -4.108 1.00 0.00 H new ATOM 0 HD21 LEU A 86 7.941 7.970 -2.444 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.476 6.740 -3.614 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.077 8.410 -3.741 1.00 0.00 H new ATOM 1395 N LYS A 87 6.684 10.610 -7.149 1.00 0.00 N ATOM 1396 CA LYS A 87 6.349 12.036 -7.061 1.00 0.00 C ATOM 1397 C LYS A 87 4.849 12.403 -7.184 1.00 0.00 C ATOM 1398 O LYS A 87 4.275 12.903 -6.216 1.00 0.00 O ATOM 1399 CB LYS A 87 7.257 12.864 -7.986 1.00 0.00 C ATOM 1400 CG LYS A 87 8.727 12.793 -7.540 1.00 0.00 C ATOM 1401 CD LYS A 87 9.539 14.058 -7.870 1.00 0.00 C ATOM 1402 CE LYS A 87 9.792 14.280 -9.368 1.00 0.00 C ATOM 1403 NZ LYS A 87 8.600 14.774 -10.082 1.00 0.00 N ATOM 0 H LYS A 87 7.615 10.442 -7.532 1.00 0.00 H new ATOM 0 HA LYS A 87 6.558 12.310 -6.027 1.00 0.00 H new ATOM 0 HB2 LYS A 87 7.168 12.498 -9.009 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.926 13.902 -7.989 1.00 0.00 H new ATOM 0 HG2 LYS A 87 8.762 12.620 -6.464 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.200 11.934 -8.016 1.00 0.00 H new ATOM 0 HD2 LYS A 87 9.014 14.926 -7.471 1.00 0.00 H new ATOM 0 HD3 LYS A 87 10.499 14.002 -7.357 1.00 0.00 H new ATOM 0 HE2 LYS A 87 10.606 14.994 -9.492 1.00 0.00 H new ATOM 0 HE3 LYS A 87 10.118 13.343 -9.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 8.896 15.295 -10.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 8.003 13.969 -10.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 8.060 15.407 -9.459 1.00 0.00 H new ATOM 1417 N PRO A 88 4.171 12.163 -8.319 1.00 0.00 N ATOM 1418 CA PRO A 88 2.756 12.504 -8.464 1.00 0.00 C ATOM 1419 C PRO A 88 1.845 11.701 -7.524 1.00 0.00 C ATOM 1420 O PRO A 88 0.761 12.160 -7.155 1.00 0.00 O ATOM 1421 CB PRO A 88 2.420 12.225 -9.932 1.00 0.00 C ATOM 1422 CG PRO A 88 3.439 11.158 -10.334 1.00 0.00 C ATOM 1423 CD PRO A 88 4.680 11.577 -9.548 1.00 0.00 C ATOM 0 HA PRO A 88 2.584 13.545 -8.190 1.00 0.00 H new ATOM 0 HB2 PRO A 88 1.397 11.867 -10.049 1.00 0.00 H new ATOM 0 HB3 PRO A 88 2.516 13.122 -10.543 1.00 0.00 H new ATOM 0 HG2 PRO A 88 3.106 10.156 -10.064 1.00 0.00 H new ATOM 0 HG3 PRO A 88 3.621 11.154 -11.409 1.00 0.00 H new ATOM 0 HD2 PRO A 88 5.322 10.721 -9.340 1.00 0.00 H new ATOM 0 HD3 PRO A 88 5.278 12.295 -10.109 1.00 0.00 H new ATOM 1431 N LEU A 89 2.248 10.475 -7.188 1.00 0.00 N ATOM 1432 CA LEU A 89 1.514 9.617 -6.282 1.00 0.00 C ATOM 1433 C LEU A 89 1.617 10.205 -4.876 1.00 0.00 C ATOM 1434 O LEU A 89 0.619 10.358 -4.178 1.00 0.00 O ATOM 1435 CB LEU A 89 2.066 8.186 -6.415 1.00 0.00 C ATOM 1436 CG LEU A 89 1.155 7.066 -5.902 1.00 0.00 C ATOM 1437 CD1 LEU A 89 1.470 5.786 -6.685 1.00 0.00 C ATOM 1438 CD2 LEU A 89 1.409 6.799 -4.415 1.00 0.00 C ATOM 0 H LEU A 89 3.105 10.053 -7.546 1.00 0.00 H new ATOM 0 HA LEU A 89 0.452 9.562 -6.519 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.284 7.998 -7.466 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.013 8.132 -5.879 1.00 0.00 H new ATOM 0 HG LEU A 89 0.116 7.365 -6.037 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.830 4.977 -6.333 1.00 0.00 H new ATOM 0 HD12 LEU A 89 1.290 5.955 -7.747 1.00 0.00 H new ATOM 0 HD13 LEU A 89 2.515 5.514 -6.533 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.752 6.000 -4.071 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.448 6.501 -4.271 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.209 7.705 -3.843 1.00 0.00 H new ATOM 1450 N ALA A 90 2.829 10.594 -4.472 1.00 0.00 N ATOM 1451 CA ALA A 90 3.051 11.256 -3.197 1.00 0.00 C ATOM 1452 C ALA A 90 2.179 12.518 -3.176 1.00 0.00 C ATOM 1453 O ALA A 90 1.351 12.677 -2.285 1.00 0.00 O ATOM 1454 CB ALA A 90 4.546 11.534 -3.010 1.00 0.00 C ATOM 0 H ALA A 90 3.677 10.457 -5.022 1.00 0.00 H new ATOM 0 HA ALA A 90 2.761 10.631 -2.352 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.707 12.030 -2.053 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.096 10.593 -3.028 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.900 12.177 -3.816 1.00 0.00 H new ATOM 1460 N GLN A 91 2.254 13.349 -4.226 1.00 0.00 N ATOM 1461 CA GLN A 91 1.455 14.569 -4.321 1.00 0.00 C ATOM 1462 C GLN A 91 -0.035 14.271 -4.112 1.00 0.00 C ATOM 1463 O GLN A 91 -0.674 14.939 -3.301 1.00 0.00 O ATOM 1464 CB GLN A 91 1.705 15.281 -5.665 1.00 0.00 C ATOM 1465 CG GLN A 91 0.955 16.617 -5.839 1.00 0.00 C ATOM 1466 CD GLN A 91 1.489 17.758 -4.972 1.00 0.00 C ATOM 1467 OE1 GLN A 91 0.852 18.166 -4.005 1.00 0.00 O ATOM 1468 NE2 GLN A 91 2.638 18.319 -5.339 1.00 0.00 N ATOM 0 H GLN A 91 2.867 13.192 -5.026 1.00 0.00 H new ATOM 0 HA GLN A 91 1.767 15.243 -3.524 1.00 0.00 H new ATOM 0 HB2 GLN A 91 2.774 15.465 -5.769 1.00 0.00 H new ATOM 0 HB3 GLN A 91 1.416 14.610 -6.474 1.00 0.00 H new ATOM 0 HG2 GLN A 91 1.009 16.916 -6.886 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -0.098 16.462 -5.606 1.00 0.00 H new ATOM 0 HE21 GLN A 91 3.146 17.959 -6.147 1.00 0.00 H new ATOM 0 HE22 GLN A 91 3.011 19.109 -4.812 1.00 0.00 H new ATOM 1477 N SER A 92 -0.608 13.293 -4.826 1.00 0.00 N ATOM 1478 CA SER A 92 -2.023 12.975 -4.663 1.00 0.00 C ATOM 1479 C SER A 92 -2.344 12.577 -3.218 1.00 0.00 C ATOM 1480 O SER A 92 -3.205 13.185 -2.574 1.00 0.00 O ATOM 1481 CB SER A 92 -2.456 11.898 -5.665 1.00 0.00 C ATOM 1482 OG SER A 92 -1.802 10.668 -5.439 1.00 0.00 O ATOM 0 H SER A 92 -0.118 12.719 -5.511 1.00 0.00 H new ATOM 0 HA SER A 92 -2.600 13.874 -4.878 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.534 11.753 -5.597 1.00 0.00 H new ATOM 0 HB3 SER A 92 -2.244 12.240 -6.678 1.00 0.00 H new ATOM 0 HG SER A 92 -2.449 9.935 -5.511 1.00 0.00 H new ATOM 1488 N HIS A 93 -1.642 11.559 -2.713 1.00 0.00 N ATOM 1489 CA HIS A 93 -1.813 11.062 -1.349 1.00 0.00 C ATOM 1490 C HIS A 93 -1.578 12.128 -0.281 1.00 0.00 C ATOM 1491 O HIS A 93 -2.131 12.066 0.815 1.00 0.00 O ATOM 1492 CB HIS A 93 -1.011 9.775 -1.127 1.00 0.00 C ATOM 1493 CG HIS A 93 -1.493 8.667 -2.031 1.00 0.00 C ATOM 1494 ND1 HIS A 93 -1.368 8.657 -3.399 1.00 0.00 N ATOM 1495 CD2 HIS A 93 -2.342 7.644 -1.699 1.00 0.00 C ATOM 1496 CE1 HIS A 93 -2.129 7.669 -3.872 1.00 0.00 C ATOM 1497 NE2 HIS A 93 -2.737 7.003 -2.877 1.00 0.00 N ATOM 0 H HIS A 93 -0.934 11.054 -3.245 1.00 0.00 H new ATOM 0 HA HIS A 93 -2.864 10.800 -1.231 1.00 0.00 H new ATOM 0 HB2 HIS A 93 0.046 9.966 -1.313 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -1.100 9.463 -0.086 1.00 0.00 H new ATOM 0 HD1 HIS A 93 -0.795 9.292 -3.954 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -2.653 7.379 -0.699 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -2.242 7.435 -4.920 1.00 0.00 H new ATOM 1505 N ALA A 94 -0.756 13.117 -0.608 1.00 0.00 N ATOM 1506 CA ALA A 94 -0.435 14.222 0.266 1.00 0.00 C ATOM 1507 C ALA A 94 -1.572 15.235 0.267 1.00 0.00 C ATOM 1508 O ALA A 94 -2.197 15.489 1.293 1.00 0.00 O ATOM 1509 CB ALA A 94 0.869 14.896 -0.164 1.00 0.00 C ATOM 0 H ALA A 94 -0.286 13.168 -1.512 1.00 0.00 H new ATOM 0 HA ALA A 94 -0.302 13.833 1.276 1.00 0.00 H new ATOM 0 HB1 ALA A 94 1.089 15.725 0.509 1.00 0.00 H new ATOM 0 HB2 ALA A 94 1.683 14.172 -0.126 1.00 0.00 H new ATOM 0 HB3 ALA A 94 0.766 15.273 -1.182 1.00 0.00 H new ATOM 1515 N THR A 95 -1.841 15.824 -0.899 1.00 0.00 N ATOM 1516 CA THR A 95 -2.738 16.958 -0.992 1.00 0.00 C ATOM 1517 C THR A 95 -4.224 16.591 -1.023 1.00 0.00 C ATOM 1518 O THR A 95 -5.037 17.325 -0.463 1.00 0.00 O ATOM 1519 CB THR A 95 -2.292 17.876 -2.146 1.00 0.00 C ATOM 1520 OG1 THR A 95 -2.711 19.196 -1.872 1.00 0.00 O ATOM 1521 CG2 THR A 95 -2.817 17.460 -3.522 1.00 0.00 C ATOM 0 H THR A 95 -1.445 15.527 -1.791 1.00 0.00 H new ATOM 0 HA THR A 95 -2.656 17.521 -0.062 1.00 0.00 H new ATOM 0 HB THR A 95 -1.206 17.797 -2.197 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.528 19.765 -2.649 1.00 0.00 H new ATOM 0 HG21 THR A 95 -2.456 18.159 -4.276 1.00 0.00 H new ATOM 0 HG22 THR A 95 -2.463 16.457 -3.759 1.00 0.00 H new ATOM 0 HG23 THR A 95 -3.907 17.467 -3.513 1.00 0.00 H new ATOM 1529 N LYS A 96 -4.597 15.491 -1.689 1.00 0.00 N ATOM 1530 CA LYS A 96 -6.003 15.128 -1.854 1.00 0.00 C ATOM 1531 C LYS A 96 -6.477 14.092 -0.832 1.00 0.00 C ATOM 1532 O LYS A 96 -7.515 14.267 -0.198 1.00 0.00 O ATOM 1533 CB LYS A 96 -6.236 14.554 -3.258 1.00 0.00 C ATOM 1534 CG LYS A 96 -5.903 15.486 -4.429 1.00 0.00 C ATOM 1535 CD LYS A 96 -6.362 14.878 -5.768 1.00 0.00 C ATOM 1536 CE LYS A 96 -5.574 13.610 -6.132 1.00 0.00 C ATOM 1537 NZ LYS A 96 -6.068 12.970 -7.365 1.00 0.00 N ATOM 0 H LYS A 96 -3.942 14.839 -2.121 1.00 0.00 H new ATOM 0 HA LYS A 96 -6.574 16.044 -1.701 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -5.641 13.647 -3.361 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -7.282 14.260 -3.340 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -6.387 16.451 -4.279 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -4.829 15.669 -4.458 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -7.424 14.640 -5.711 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -6.243 15.617 -6.560 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -4.521 13.864 -6.255 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -5.636 12.899 -5.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -5.674 12.010 -7.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -7.106 12.917 -7.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -5.773 13.531 -8.190 1.00 0.00 H new ATOM 1551 N HIS A 97 -5.755 12.975 -0.718 1.00 0.00 N ATOM 1552 CA HIS A 97 -6.217 11.823 0.057 1.00 0.00 C ATOM 1553 C HIS A 97 -6.013 11.891 1.574 1.00 0.00 C ATOM 1554 O HIS A 97 -6.288 10.900 2.245 1.00 0.00 O ATOM 1555 CB HIS A 97 -5.651 10.543 -0.561 1.00 0.00 C ATOM 1556 CG HIS A 97 -5.872 10.459 -2.059 1.00 0.00 C ATOM 1557 ND1 HIS A 97 -7.024 10.815 -2.736 1.00 0.00 N ATOM 1558 CD2 HIS A 97 -4.939 10.116 -2.994 1.00 0.00 C ATOM 1559 CE1 HIS A 97 -6.789 10.665 -4.053 1.00 0.00 C ATOM 1560 NE2 HIS A 97 -5.536 10.213 -4.229 1.00 0.00 N ATOM 0 H HIS A 97 -4.843 12.844 -1.156 1.00 0.00 H new ATOM 0 HA HIS A 97 -7.304 11.830 -0.018 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -4.582 10.488 -0.354 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -6.114 9.680 -0.082 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -3.918 9.822 -2.800 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -7.495 10.875 -4.843 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -5.103 9.982 -5.123 1.00 0.00 H new ATOM 1569 N LYS A 98 -5.563 13.034 2.106 1.00 0.00 N ATOM 1570 CA LYS A 98 -5.396 13.329 3.532 1.00 0.00 C ATOM 1571 C LYS A 98 -4.006 12.928 4.024 1.00 0.00 C ATOM 1572 O LYS A 98 -3.801 11.882 4.633 1.00 0.00 O ATOM 1573 CB LYS A 98 -6.545 12.784 4.404 1.00 0.00 C ATOM 1574 CG LYS A 98 -6.577 13.337 5.837 1.00 0.00 C ATOM 1575 CD LYS A 98 -6.798 14.856 5.894 1.00 0.00 C ATOM 1576 CE LYS A 98 -7.102 15.298 7.329 1.00 0.00 C ATOM 1577 NZ LYS A 98 -7.302 16.756 7.403 1.00 0.00 N ATOM 0 H LYS A 98 -5.291 13.822 1.518 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.463 14.411 3.645 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -7.493 13.014 3.918 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.466 11.698 4.449 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -7.371 12.840 6.394 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -5.638 13.094 6.335 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -5.911 15.373 5.528 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -7.623 15.135 5.238 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -7.995 14.786 7.689 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -6.281 15.006 7.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -7.506 17.029 8.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -6.440 17.241 7.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -8.101 17.028 6.795 1.00 0.00 H new ATOM 1591 N ILE A 99 -3.065 13.815 3.718 1.00 0.00 N ATOM 1592 CA ILE A 99 -1.650 13.771 4.011 1.00 0.00 C ATOM 1593 C ILE A 99 -1.039 12.707 4.936 1.00 0.00 C ATOM 1594 O ILE A 99 -0.172 11.978 4.455 1.00 0.00 O ATOM 1595 CB ILE A 99 -1.032 15.196 4.183 1.00 0.00 C ATOM 1596 CG1 ILE A 99 0.136 15.258 5.197 1.00 0.00 C ATOM 1597 CG2 ILE A 99 -2.043 16.331 4.447 1.00 0.00 C ATOM 1598 CD1 ILE A 99 1.028 16.489 5.055 1.00 0.00 C ATOM 0 H ILE A 99 -3.306 14.665 3.208 1.00 0.00 H new ATOM 0 HA ILE A 99 -1.311 13.315 3.081 1.00 0.00 H new ATOM 0 HB ILE A 99 -0.622 15.385 3.191 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -0.274 15.235 6.207 1.00 0.00 H new ATOM 0 HG13 ILE A 99 0.749 14.364 5.082 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -1.510 17.276 4.551 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -2.741 16.398 3.613 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -2.593 16.122 5.365 1.00 0.00 H new ATOM 0 HD11 ILE A 99 1.820 16.453 5.803 1.00 0.00 H new ATOM 0 HD12 ILE A 99 1.470 16.505 4.059 1.00 0.00 H new ATOM 0 HD13 ILE A 99 0.431 17.389 5.201 1.00 0.00 H new ATOM 1610 N PRO A 100 -1.299 12.705 6.252 1.00 0.00 N ATOM 1611 CA PRO A 100 -0.541 11.892 7.188 1.00 0.00 C ATOM 1612 C PRO A 100 -0.243 10.442 6.803 1.00 0.00 C ATOM 1613 O PRO A 100 -1.128 9.596 6.739 1.00 0.00 O ATOM 1614 CB PRO A 100 -1.258 12.007 8.533 1.00 0.00 C ATOM 1615 CG PRO A 100 -1.865 13.405 8.454 1.00 0.00 C ATOM 1616 CD PRO A 100 -2.268 13.509 6.983 1.00 0.00 C ATOM 0 HA PRO A 100 0.473 12.291 7.208 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -2.021 11.238 8.655 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -0.569 11.909 9.372 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.723 13.513 9.118 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -1.146 14.176 8.733 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -3.281 13.139 6.827 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -2.252 14.545 6.645 1.00 0.00 H new ATOM 1624 N ILE A 101 1.057 10.149 6.692 1.00 0.00 N ATOM 1625 CA ILE A 101 1.687 8.867 6.365 1.00 0.00 C ATOM 1626 C ILE A 101 1.196 7.723 7.256 1.00 0.00 C ATOM 1627 O ILE A 101 1.311 6.556 6.899 1.00 0.00 O ATOM 1628 CB ILE A 101 3.212 9.071 6.450 1.00 0.00 C ATOM 1629 CG1 ILE A 101 3.541 10.253 5.521 1.00 0.00 C ATOM 1630 CG2 ILE A 101 4.011 7.799 6.135 1.00 0.00 C ATOM 1631 CD1 ILE A 101 4.949 10.254 4.929 1.00 0.00 C ATOM 0 H ILE A 101 1.760 10.872 6.843 1.00 0.00 H new ATOM 0 HA ILE A 101 1.407 8.562 5.357 1.00 0.00 H new ATOM 0 HB ILE A 101 3.514 9.299 7.472 1.00 0.00 H new ATOM 0 HG12 ILE A 101 2.822 10.260 4.702 1.00 0.00 H new ATOM 0 HG13 ILE A 101 3.399 11.180 6.077 1.00 0.00 H new ATOM 0 HG21 ILE A 101 5.077 8.011 6.212 1.00 0.00 H new ATOM 0 HG22 ILE A 101 3.744 7.016 6.845 1.00 0.00 H new ATOM 0 HG23 ILE A 101 3.780 7.465 5.123 1.00 0.00 H new ATOM 0 HD11 ILE A 101 5.075 11.129 4.291 1.00 0.00 H new ATOM 0 HD12 ILE A 101 5.682 10.284 5.735 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.096 9.350 4.338 1.00 0.00 H new ATOM 1643 N LYS A 102 0.604 8.054 8.397 1.00 0.00 N ATOM 1644 CA LYS A 102 -0.062 7.106 9.282 1.00 0.00 C ATOM 1645 C LYS A 102 -1.074 6.282 8.473 1.00 0.00 C ATOM 1646 O LYS A 102 -1.216 5.080 8.669 1.00 0.00 O ATOM 1647 CB LYS A 102 -0.738 7.868 10.428 1.00 0.00 C ATOM 1648 CG LYS A 102 0.298 8.574 11.316 1.00 0.00 C ATOM 1649 CD LYS A 102 -0.394 9.394 12.410 1.00 0.00 C ATOM 1650 CE LYS A 102 0.646 10.096 13.290 1.00 0.00 C ATOM 1651 NZ LYS A 102 0.007 10.924 14.328 1.00 0.00 N ATOM 0 H LYS A 102 0.573 9.014 8.741 1.00 0.00 H new ATOM 0 HA LYS A 102 0.663 6.418 9.717 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -1.431 8.603 10.020 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -1.326 7.176 11.031 1.00 0.00 H new ATOM 0 HG2 LYS A 102 0.958 7.835 11.771 1.00 0.00 H new ATOM 0 HG3 LYS A 102 0.923 9.226 10.706 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -1.054 10.133 11.956 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -1.018 8.742 13.022 1.00 0.00 H new ATOM 0 HE2 LYS A 102 1.287 9.351 13.761 1.00 0.00 H new ATOM 0 HE3 LYS A 102 1.287 10.721 12.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 0.740 11.384 14.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -0.585 11.650 13.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -0.585 10.323 14.936 1.00 0.00 H new ATOM 1665 N TYR A 103 -1.739 6.914 7.509 1.00 0.00 N ATOM 1666 CA TYR A 103 -2.623 6.223 6.587 1.00 0.00 C ATOM 1667 C TYR A 103 -1.852 5.153 5.805 1.00 0.00 C ATOM 1668 O TYR A 103 -2.322 4.026 5.648 1.00 0.00 O ATOM 1669 CB TYR A 103 -3.273 7.273 5.681 1.00 0.00 C ATOM 1670 CG TYR A 103 -4.563 7.893 6.197 1.00 0.00 C ATOM 1671 CD1 TYR A 103 -5.014 7.682 7.521 1.00 0.00 C ATOM 1672 CD2 TYR A 103 -5.413 8.542 5.281 1.00 0.00 C ATOM 1673 CE1 TYR A 103 -6.363 7.908 7.849 1.00 0.00 C ATOM 1674 CE2 TYR A 103 -6.753 8.789 5.620 1.00 0.00 C ATOM 1675 CZ TYR A 103 -7.241 8.411 6.878 1.00 0.00 C ATOM 1676 OH TYR A 103 -8.567 8.511 7.155 1.00 0.00 O ATOM 0 H TYR A 103 -1.677 7.919 7.349 1.00 0.00 H new ATOM 0 HA TYR A 103 -3.410 5.692 7.122 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -2.552 8.072 5.510 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -3.476 6.814 4.713 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -4.322 7.347 8.280 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -5.034 8.850 4.318 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -6.721 7.695 8.845 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -7.409 9.271 4.910 1.00 0.00 H new ATOM 0 HH TYR A 103 -9.066 8.646 6.322 1.00 0.00 H new ATOM 1686 N LEU A 104 -0.642 5.476 5.352 1.00 0.00 N ATOM 1687 CA LEU A 104 0.201 4.487 4.695 1.00 0.00 C ATOM 1688 C LEU A 104 0.657 3.444 5.728 1.00 0.00 C ATOM 1689 O LEU A 104 0.797 2.270 5.394 1.00 0.00 O ATOM 1690 CB LEU A 104 1.364 5.147 3.947 1.00 0.00 C ATOM 1691 CG LEU A 104 0.919 6.209 2.923 1.00 0.00 C ATOM 1692 CD1 LEU A 104 2.130 7.033 2.475 1.00 0.00 C ATOM 1693 CD2 LEU A 104 0.243 5.621 1.683 1.00 0.00 C ATOM 0 H LEU A 104 -0.229 6.406 5.428 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.374 3.967 3.929 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.033 5.611 4.671 1.00 0.00 H new ATOM 0 HB3 LEU A 104 1.937 4.376 3.432 1.00 0.00 H new ATOM 0 HG LEU A 104 0.181 6.829 3.431 1.00 0.00 H new ATOM 0 HD11 LEU A 104 1.812 7.783 1.751 1.00 0.00 H new ATOM 0 HD12 LEU A 104 2.573 7.528 3.339 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.868 6.375 2.016 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -0.043 6.427 1.008 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.936 4.950 1.175 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.646 5.066 1.982 1.00 0.00 H new ATOM 1705 N GLU A 105 0.828 3.830 7.000 1.00 0.00 N ATOM 1706 CA GLU A 105 1.134 2.890 8.078 1.00 0.00 C ATOM 1707 C GLU A 105 0.005 1.850 8.165 1.00 0.00 C ATOM 1708 O GLU A 105 0.232 0.666 8.424 1.00 0.00 O ATOM 1709 CB GLU A 105 1.361 3.608 9.416 1.00 0.00 C ATOM 1710 CG GLU A 105 2.088 2.712 10.427 1.00 0.00 C ATOM 1711 CD GLU A 105 2.217 3.413 11.775 1.00 0.00 C ATOM 1712 OE1 GLU A 105 1.244 3.326 12.556 1.00 0.00 O ATOM 1713 OE2 GLU A 105 3.274 4.045 11.991 1.00 0.00 O ATOM 0 H GLU A 105 0.758 4.800 7.306 1.00 0.00 H new ATOM 0 HA GLU A 105 2.070 2.379 7.853 1.00 0.00 H new ATOM 0 HB2 GLU A 105 1.944 4.514 9.248 1.00 0.00 H new ATOM 0 HB3 GLU A 105 0.401 3.918 9.829 1.00 0.00 H new ATOM 0 HG2 GLU A 105 1.542 1.776 10.549 1.00 0.00 H new ATOM 0 HG3 GLU A 105 3.078 2.457 10.048 1.00 0.00 H new ATOM 1720 N PHE A 106 -1.238 2.307 8.007 1.00 0.00 N ATOM 1721 CA PHE A 106 -2.368 1.403 8.003 1.00 0.00 C ATOM 1722 C PHE A 106 -2.323 0.435 6.816 1.00 0.00 C ATOM 1723 O PHE A 106 -2.567 -0.759 7.005 1.00 0.00 O ATOM 1724 CB PHE A 106 -3.691 2.178 8.065 1.00 0.00 C ATOM 1725 CG PHE A 106 -3.913 3.119 9.246 1.00 0.00 C ATOM 1726 CD1 PHE A 106 -3.448 2.790 10.535 1.00 0.00 C ATOM 1727 CD2 PHE A 106 -4.772 4.226 9.090 1.00 0.00 C ATOM 1728 CE1 PHE A 106 -3.845 3.552 11.650 1.00 0.00 C ATOM 1729 CE2 PHE A 106 -5.180 4.978 10.205 1.00 0.00 C ATOM 1730 CZ PHE A 106 -4.727 4.635 11.490 1.00 0.00 C ATOM 0 H PHE A 106 -1.478 3.291 7.882 1.00 0.00 H new ATOM 0 HA PHE A 106 -2.304 0.791 8.902 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -3.779 2.764 7.150 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -4.504 1.452 8.058 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -2.784 1.949 10.668 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -5.120 4.499 8.105 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -3.471 3.304 12.632 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -5.843 5.821 10.074 1.00 0.00 H new ATOM 0 HZ PHE A 106 -5.055 5.200 12.350 1.00 0.00 H new ATOM 1740 N ILE A 107 -2.054 0.905 5.591 1.00 0.00 N ATOM 1741 CA ILE A 107 -1.998 -0.045 4.478 1.00 0.00 C ATOM 1742 C ILE A 107 -0.770 -0.957 4.586 1.00 0.00 C ATOM 1743 O ILE A 107 -0.826 -2.105 4.155 1.00 0.00 O ATOM 1744 CB ILE A 107 -2.163 0.601 3.090 1.00 0.00 C ATOM 1745 CG1 ILE A 107 -2.693 -0.445 2.094 1.00 0.00 C ATOM 1746 CG2 ILE A 107 -0.826 1.144 2.576 1.00 0.00 C ATOM 1747 CD1 ILE A 107 -3.032 0.150 0.720 1.00 0.00 C ATOM 0 H ILE A 107 -1.881 1.882 5.354 1.00 0.00 H new ATOM 0 HA ILE A 107 -2.878 -0.681 4.573 1.00 0.00 H new ATOM 0 HB ILE A 107 -2.868 1.427 3.180 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -1.947 -1.230 1.969 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -3.584 -0.915 2.510 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -0.970 1.595 1.594 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -0.448 1.896 3.269 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -0.107 0.328 2.499 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -3.400 -0.638 0.063 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -3.800 0.915 0.834 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -2.137 0.596 0.286 1.00 0.00 H new ATOM 1759 N SER A 108 0.348 -0.478 5.143 1.00 0.00 N ATOM 1760 CA SER A 108 1.512 -1.339 5.332 1.00 0.00 C ATOM 1761 C SER A 108 1.134 -2.437 6.326 1.00 0.00 C ATOM 1762 O SER A 108 1.405 -3.610 6.072 1.00 0.00 O ATOM 1763 CB SER A 108 2.770 -0.556 5.720 1.00 0.00 C ATOM 1764 OG SER A 108 2.485 0.484 6.616 1.00 0.00 O ATOM 0 H SER A 108 0.468 0.483 5.464 1.00 0.00 H new ATOM 0 HA SER A 108 1.785 -1.807 4.386 1.00 0.00 H new ATOM 0 HB2 SER A 108 3.495 -1.234 6.170 1.00 0.00 H new ATOM 0 HB3 SER A 108 3.233 -0.145 4.823 1.00 0.00 H new ATOM 0 HG SER A 108 2.004 1.197 6.147 1.00 0.00 H new ATOM 1770 N GLU A 109 0.466 -2.070 7.427 1.00 0.00 N ATOM 1771 CA GLU A 109 -0.060 -3.046 8.375 1.00 0.00 C ATOM 1772 C GLU A 109 -0.959 -4.045 7.631 1.00 0.00 C ATOM 1773 O GLU A 109 -0.845 -5.253 7.832 1.00 0.00 O ATOM 1774 CB GLU A 109 -0.782 -2.320 9.524 1.00 0.00 C ATOM 1775 CG GLU A 109 -1.647 -3.235 10.407 1.00 0.00 C ATOM 1776 CD GLU A 109 -0.900 -4.452 10.945 1.00 0.00 C ATOM 1777 OE1 GLU A 109 0.261 -4.273 11.374 1.00 0.00 O ATOM 1778 OE2 GLU A 109 -1.516 -5.540 10.925 1.00 0.00 O ATOM 0 H GLU A 109 0.279 -1.099 7.679 1.00 0.00 H new ATOM 0 HA GLU A 109 0.750 -3.618 8.827 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -0.039 -1.827 10.151 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -1.414 -1.538 9.104 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -2.033 -2.656 11.246 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -2.508 -3.574 9.830 1.00 0.00 H new ATOM 1785 N ALA A 110 -1.847 -3.557 6.761 1.00 0.00 N ATOM 1786 CA ALA A 110 -2.699 -4.439 5.974 1.00 0.00 C ATOM 1787 C ALA A 110 -1.846 -5.407 5.138 1.00 0.00 C ATOM 1788 O ALA A 110 -1.989 -6.618 5.280 1.00 0.00 O ATOM 1789 CB ALA A 110 -3.684 -3.626 5.134 1.00 0.00 C ATOM 0 H ALA A 110 -1.991 -2.562 6.588 1.00 0.00 H new ATOM 0 HA ALA A 110 -3.299 -5.054 6.644 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -4.312 -4.302 4.553 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -4.311 -3.023 5.791 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -3.133 -2.972 4.458 1.00 0.00 H new ATOM 1795 N ILE A 111 -0.874 -4.900 4.369 1.00 0.00 N ATOM 1796 CA ILE A 111 0.020 -5.721 3.548 1.00 0.00 C ATOM 1797 C ILE A 111 0.676 -6.804 4.416 1.00 0.00 C ATOM 1798 O ILE A 111 0.626 -7.991 4.086 1.00 0.00 O ATOM 1799 CB ILE A 111 1.074 -4.830 2.847 1.00 0.00 C ATOM 1800 CG1 ILE A 111 0.429 -4.034 1.699 1.00 0.00 C ATOM 1801 CG2 ILE A 111 2.232 -5.669 2.279 1.00 0.00 C ATOM 1802 CD1 ILE A 111 1.221 -2.786 1.295 1.00 0.00 C ATOM 0 H ILE A 111 -0.686 -3.900 4.300 1.00 0.00 H new ATOM 0 HA ILE A 111 -0.557 -6.219 2.769 1.00 0.00 H new ATOM 0 HB ILE A 111 1.468 -4.146 3.598 1.00 0.00 H new ATOM 0 HG12 ILE A 111 0.325 -4.685 0.831 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -0.576 -3.735 1.996 1.00 0.00 H new ATOM 0 HG21 ILE A 111 2.954 -5.012 1.794 1.00 0.00 H new ATOM 0 HG22 ILE A 111 2.721 -6.210 3.089 1.00 0.00 H new ATOM 0 HG23 ILE A 111 1.843 -6.381 1.551 1.00 0.00 H new ATOM 0 HD11 ILE A 111 0.706 -2.276 0.481 1.00 0.00 H new ATOM 0 HD12 ILE A 111 1.303 -2.114 2.150 1.00 0.00 H new ATOM 0 HD13 ILE A 111 2.218 -3.078 0.967 1.00 0.00 H new ATOM 1814 N ILE A 112 1.279 -6.395 5.538 1.00 0.00 N ATOM 1815 CA ILE A 112 1.940 -7.293 6.479 1.00 0.00 C ATOM 1816 C ILE A 112 0.959 -8.379 6.924 1.00 0.00 C ATOM 1817 O ILE A 112 1.273 -9.573 6.898 1.00 0.00 O ATOM 1818 CB ILE A 112 2.520 -6.469 7.653 1.00 0.00 C ATOM 1819 CG1 ILE A 112 3.761 -5.707 7.150 1.00 0.00 C ATOM 1820 CG2 ILE A 112 2.854 -7.345 8.870 1.00 0.00 C ATOM 1821 CD1 ILE A 112 4.202 -4.594 8.106 1.00 0.00 C ATOM 0 H ILE A 112 1.320 -5.415 5.818 1.00 0.00 H new ATOM 0 HA ILE A 112 2.779 -7.804 6.007 1.00 0.00 H new ATOM 0 HB ILE A 112 1.765 -5.761 7.994 1.00 0.00 H new ATOM 0 HG12 ILE A 112 4.583 -6.410 7.014 1.00 0.00 H new ATOM 0 HG13 ILE A 112 3.545 -5.276 6.172 1.00 0.00 H new ATOM 0 HG21 ILE A 112 3.258 -6.721 9.667 1.00 0.00 H new ATOM 0 HG22 ILE A 112 1.949 -7.841 9.220 1.00 0.00 H new ATOM 0 HG23 ILE A 112 3.592 -8.095 8.587 1.00 0.00 H new ATOM 0 HD11 ILE A 112 5.080 -4.092 7.700 1.00 0.00 H new ATOM 0 HD12 ILE A 112 3.393 -3.873 8.222 1.00 0.00 H new ATOM 0 HD13 ILE A 112 4.447 -5.024 9.077 1.00 0.00 H new ATOM 1833 N HIS A 113 -0.233 -7.962 7.356 1.00 0.00 N ATOM 1834 CA HIS A 113 -1.255 -8.884 7.810 1.00 0.00 C ATOM 1835 C HIS A 113 -1.620 -9.882 6.712 1.00 0.00 C ATOM 1836 O HIS A 113 -1.564 -11.084 6.957 1.00 0.00 O ATOM 1837 CB HIS A 113 -2.489 -8.133 8.316 1.00 0.00 C ATOM 1838 CG HIS A 113 -3.524 -9.075 8.872 1.00 0.00 C ATOM 1839 ND1 HIS A 113 -4.328 -9.893 8.129 1.00 0.00 N flip ATOM 1840 CD2 HIS A 113 -3.658 -9.428 10.199 1.00 0.00 C flip ATOM 1841 CE1 HIS A 113 -4.949 -10.745 9.016 1.00 0.00 C flip ATOM 1842 NE2 HIS A 113 -4.538 -10.442 10.262 1.00 0.00 N flip ATOM 0 H HIS A 113 -0.508 -6.981 7.398 1.00 0.00 H new ATOM 0 HA HIS A 113 -0.849 -9.450 8.648 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -2.192 -7.422 9.087 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -2.923 -7.555 7.500 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -3.148 -8.972 11.035 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -5.649 -11.525 8.755 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -4.845 -10.907 11.116 1.00 0.00 H new ATOM 1851 N VAL A 114 -1.982 -9.416 5.507 1.00 0.00 N ATOM 1852 CA VAL A 114 -2.410 -10.309 4.429 1.00 0.00 C ATOM 1853 C VAL A 114 -1.292 -11.307 4.133 1.00 0.00 C ATOM 1854 O VAL A 114 -1.540 -12.512 4.127 1.00 0.00 O ATOM 1855 CB VAL A 114 -2.902 -9.559 3.173 1.00 0.00 C ATOM 1856 CG1 VAL A 114 -3.372 -10.553 2.101 1.00 0.00 C ATOM 1857 CG2 VAL A 114 -4.112 -8.693 3.552 1.00 0.00 C ATOM 0 H VAL A 114 -1.986 -8.427 5.259 1.00 0.00 H new ATOM 0 HA VAL A 114 -3.288 -10.860 4.766 1.00 0.00 H new ATOM 0 HB VAL A 114 -2.080 -8.955 2.789 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -3.715 -10.006 1.223 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -2.544 -11.205 1.822 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -4.190 -11.155 2.496 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -4.467 -8.159 2.671 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -4.909 -9.330 3.936 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -3.820 -7.975 4.318 1.00 0.00 H new ATOM 1867 N LEU A 115 -0.052 -10.818 3.992 1.00 0.00 N ATOM 1868 CA LEU A 115 1.093 -11.687 3.745 1.00 0.00 C ATOM 1869 C LEU A 115 1.140 -12.793 4.804 1.00 0.00 C ATOM 1870 O LEU A 115 1.123 -13.977 4.476 1.00 0.00 O ATOM 1871 CB LEU A 115 2.402 -10.882 3.738 1.00 0.00 C ATOM 1872 CG LEU A 115 2.569 -9.961 2.515 1.00 0.00 C ATOM 1873 CD1 LEU A 115 3.762 -9.032 2.763 1.00 0.00 C ATOM 1874 CD2 LEU A 115 2.813 -10.761 1.229 1.00 0.00 C ATOM 0 H LEU A 115 0.177 -9.826 4.046 1.00 0.00 H new ATOM 0 HA LEU A 115 0.981 -12.144 2.762 1.00 0.00 H new ATOM 0 HB2 LEU A 115 2.448 -10.277 4.644 1.00 0.00 H new ATOM 0 HB3 LEU A 115 3.242 -11.575 3.774 1.00 0.00 H new ATOM 0 HG LEU A 115 1.649 -9.391 2.384 1.00 0.00 H new ATOM 0 HD11 LEU A 115 3.894 -8.373 1.905 1.00 0.00 H new ATOM 0 HD12 LEU A 115 3.578 -8.434 3.656 1.00 0.00 H new ATOM 0 HD13 LEU A 115 4.664 -9.628 2.905 1.00 0.00 H new ATOM 0 HD21 LEU A 115 2.926 -10.075 0.390 1.00 0.00 H new ATOM 0 HD22 LEU A 115 3.721 -11.355 1.337 1.00 0.00 H new ATOM 0 HD23 LEU A 115 1.966 -11.423 1.046 1.00 0.00 H new ATOM 1886 N HIS A 116 1.170 -12.415 6.085 1.00 0.00 N ATOM 1887 CA HIS A 116 1.237 -13.390 7.162 1.00 0.00 C ATOM 1888 C HIS A 116 0.062 -14.374 7.158 1.00 0.00 C ATOM 1889 O HIS A 116 0.276 -15.585 7.178 1.00 0.00 O ATOM 1890 CB HIS A 116 1.334 -12.678 8.514 1.00 0.00 C ATOM 1891 CG HIS A 116 1.767 -13.595 9.632 1.00 0.00 C ATOM 1892 ND1 HIS A 116 1.558 -14.961 9.704 1.00 0.00 N ATOM 1893 CD2 HIS A 116 2.432 -13.206 10.760 1.00 0.00 C ATOM 1894 CE1 HIS A 116 2.067 -15.390 10.873 1.00 0.00 C ATOM 1895 NE2 HIS A 116 2.605 -14.342 11.527 1.00 0.00 N ATOM 0 H HIS A 116 1.149 -11.443 6.395 1.00 0.00 H new ATOM 0 HA HIS A 116 2.137 -13.982 6.994 1.00 0.00 H new ATOM 0 HB2 HIS A 116 2.041 -11.852 8.434 1.00 0.00 H new ATOM 0 HB3 HIS A 116 0.365 -12.245 8.761 1.00 0.00 H new ATOM 0 HD1 HIS A 116 1.101 -15.538 8.998 1.00 0.00 H new ATOM 0 HD2 HIS A 116 2.759 -12.206 11.004 1.00 0.00 H new ATOM 0 HE1 HIS A 116 2.048 -16.409 11.230 1.00 0.00 H new ATOM 1904 N SER A 117 -1.172 -13.868 7.153 1.00 0.00 N ATOM 1905 CA SER A 117 -2.371 -14.697 7.244 1.00 0.00 C ATOM 1906 C SER A 117 -2.482 -15.656 6.063 1.00 0.00 C ATOM 1907 O SER A 117 -2.660 -16.860 6.231 1.00 0.00 O ATOM 1908 CB SER A 117 -3.628 -13.825 7.317 1.00 0.00 C ATOM 1909 OG SER A 117 -3.628 -12.808 6.339 1.00 0.00 O ATOM 0 H SER A 117 -1.367 -12.869 7.086 1.00 0.00 H new ATOM 0 HA SER A 117 -2.287 -15.286 8.158 1.00 0.00 H new ATOM 0 HB2 SER A 117 -4.511 -14.451 7.188 1.00 0.00 H new ATOM 0 HB3 SER A 117 -3.699 -13.375 8.307 1.00 0.00 H new ATOM 0 HG SER A 117 -3.005 -12.100 6.604 1.00 0.00 H new ATOM 1915 N ARG A 118 -2.408 -15.095 4.860 1.00 0.00 N ATOM 1916 CA ARG A 118 -2.549 -15.840 3.622 1.00 0.00 C ATOM 1917 C ARG A 118 -1.354 -16.754 3.344 1.00 0.00 C ATOM 1918 O ARG A 118 -1.539 -17.841 2.786 1.00 0.00 O ATOM 1919 CB ARG A 118 -2.788 -14.867 2.462 1.00 0.00 C ATOM 1920 CG ARG A 118 -3.254 -15.625 1.212 1.00 0.00 C ATOM 1921 CD ARG A 118 -3.494 -14.671 0.044 1.00 0.00 C ATOM 1922 NE ARG A 118 -4.625 -13.766 0.291 1.00 0.00 N ATOM 1923 CZ ARG A 118 -5.090 -12.914 -0.630 1.00 0.00 C ATOM 1924 NH1 ARG A 118 -4.547 -12.912 -1.846 1.00 0.00 N ATOM 1925 NH2 ARG A 118 -6.092 -12.080 -0.342 1.00 0.00 N ATOM 0 H ARG A 118 -2.246 -14.098 4.720 1.00 0.00 H new ATOM 0 HA ARG A 118 -3.412 -16.498 3.724 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -3.538 -14.129 2.747 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -1.870 -14.321 2.243 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -2.504 -16.365 0.932 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -4.172 -16.169 1.435 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -2.593 -14.084 -0.135 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -3.683 -15.248 -0.861 1.00 0.00 H new ATOM 0 HE ARG A 118 -5.076 -13.788 1.206 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -3.786 -13.555 -2.066 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -4.892 -12.268 -2.558 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -6.511 -12.088 0.588 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -6.438 -11.435 -1.052 1.00 0.00 H new ATOM 1939 N HIS A 119 -0.123 -16.330 3.676 1.00 0.00 N ATOM 1940 CA HIS A 119 1.050 -17.105 3.336 1.00 0.00 C ATOM 1941 C HIS A 119 1.932 -17.442 4.546 1.00 0.00 C ATOM 1942 O HIS A 119 3.091 -17.029 4.583 1.00 0.00 O ATOM 1943 CB HIS A 119 1.824 -16.393 2.213 1.00 0.00 C ATOM 1944 CG HIS A 119 0.974 -16.042 1.012 1.00 0.00 C ATOM 1945 ND1 HIS A 119 0.441 -16.943 0.108 1.00 0.00 N ATOM 1946 CD2 HIS A 119 0.701 -14.782 0.557 1.00 0.00 C ATOM 1947 CE1 HIS A 119 -0.130 -16.238 -0.887 1.00 0.00 C ATOM 1948 NE2 HIS A 119 0.020 -14.925 -0.635 1.00 0.00 N ATOM 0 H HIS A 119 0.070 -15.461 4.175 1.00 0.00 H new ATOM 0 HA HIS A 119 0.717 -18.076 2.970 1.00 0.00 H new ATOM 0 HB2 HIS A 119 2.267 -15.480 2.612 1.00 0.00 H new ATOM 0 HB3 HIS A 119 2.646 -17.032 1.890 1.00 0.00 H new ATOM 0 HD2 HIS A 119 0.967 -13.853 1.038 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -0.628 -16.659 -1.748 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -0.314 -14.163 -1.226 1.00 0.00 H new ATOM 1957 N PRO A 120 1.433 -18.215 5.528 1.00 0.00 N ATOM 1958 CA PRO A 120 2.206 -18.598 6.703 1.00 0.00 C ATOM 1959 C PRO A 120 3.386 -19.494 6.317 1.00 0.00 C ATOM 1960 O PRO A 120 4.383 -19.549 7.029 1.00 0.00 O ATOM 1961 CB PRO A 120 1.223 -19.310 7.635 1.00 0.00 C ATOM 1962 CG PRO A 120 0.180 -19.878 6.673 1.00 0.00 C ATOM 1963 CD PRO A 120 0.107 -18.802 5.589 1.00 0.00 C ATOM 0 HA PRO A 120 2.648 -17.732 7.197 1.00 0.00 H new ATOM 0 HB2 PRO A 120 1.711 -20.097 8.210 1.00 0.00 H new ATOM 0 HB3 PRO A 120 0.777 -18.621 8.352 1.00 0.00 H new ATOM 0 HG2 PRO A 120 0.485 -20.842 6.267 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -0.783 -20.028 7.161 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -0.175 -19.233 4.628 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -0.643 -18.050 5.834 1.00 0.00 H new ATOM 1971 N GLY A 121 3.289 -20.177 5.171 1.00 0.00 N ATOM 1972 CA GLY A 121 4.366 -21.002 4.647 1.00 0.00 C ATOM 1973 C GLY A 121 5.565 -20.149 4.211 1.00 0.00 C ATOM 1974 O GLY A 121 6.652 -20.684 3.988 1.00 0.00 O ATOM 0 H GLY A 121 2.455 -20.168 4.584 1.00 0.00 H new ATOM 0 HA2 GLY A 121 4.683 -21.715 5.408 1.00 0.00 H new ATOM 0 HA3 GLY A 121 4.002 -21.582 3.798 1.00 0.00 H new ATOM 1978 N ASP A 122 5.408 -18.821 4.144 1.00 0.00 N ATOM 1979 CA ASP A 122 6.465 -17.913 3.784 1.00 0.00 C ATOM 1980 C ASP A 122 6.443 -16.809 4.849 1.00 0.00 C ATOM 1981 O ASP A 122 5.893 -17.002 5.929 1.00 0.00 O ATOM 1982 CB ASP A 122 6.199 -17.436 2.344 1.00 0.00 C ATOM 1983 CG ASP A 122 7.448 -16.902 1.649 1.00 0.00 C ATOM 1984 OD1 ASP A 122 7.774 -15.721 1.900 1.00 0.00 O ATOM 1985 OD2 ASP A 122 8.041 -17.671 0.863 1.00 0.00 O ATOM 0 H ASP A 122 4.523 -18.356 4.345 1.00 0.00 H new ATOM 0 HA ASP A 122 7.465 -18.346 3.774 1.00 0.00 H new ATOM 0 HB2 ASP A 122 5.793 -18.264 1.763 1.00 0.00 H new ATOM 0 HB3 ASP A 122 5.438 -16.655 2.361 1.00 0.00 H new ATOM 1990 N PHE A 123 6.970 -15.630 4.534 1.00 0.00 N ATOM 1991 CA PHE A 123 6.945 -14.470 5.409 1.00 0.00 C ATOM 1992 C PHE A 123 7.432 -14.787 6.829 1.00 0.00 C ATOM 1993 O PHE A 123 6.732 -14.528 7.809 1.00 0.00 O ATOM 1994 CB PHE A 123 5.536 -13.857 5.393 1.00 0.00 C ATOM 1995 CG PHE A 123 5.456 -12.440 5.928 1.00 0.00 C ATOM 1996 CD1 PHE A 123 6.087 -11.395 5.228 1.00 0.00 C ATOM 1997 CD2 PHE A 123 4.687 -12.148 7.072 1.00 0.00 C ATOM 1998 CE1 PHE A 123 5.918 -10.064 5.645 1.00 0.00 C ATOM 1999 CE2 PHE A 123 4.510 -10.813 7.481 1.00 0.00 C ATOM 2000 CZ PHE A 123 5.117 -9.771 6.758 1.00 0.00 C ATOM 0 H PHE A 123 7.436 -15.454 3.644 1.00 0.00 H new ATOM 0 HA PHE A 123 7.653 -13.734 5.029 1.00 0.00 H new ATOM 0 HB2 PHE A 123 5.162 -13.866 4.369 1.00 0.00 H new ATOM 0 HB3 PHE A 123 4.872 -14.491 5.981 1.00 0.00 H new ATOM 0 HD1 PHE A 123 6.702 -11.617 4.369 1.00 0.00 H new ATOM 0 HD2 PHE A 123 4.233 -12.950 7.636 1.00 0.00 H new ATOM 0 HE1 PHE A 123 6.406 -9.265 5.107 1.00 0.00 H new ATOM 0 HE2 PHE A 123 3.908 -10.589 8.350 1.00 0.00 H new ATOM 0 HZ PHE A 123 4.966 -8.745 7.060 1.00 0.00 H new ATOM 2010 N GLY A 124 8.621 -15.384 6.950 1.00 0.00 N ATOM 2011 CA GLY A 124 9.213 -15.640 8.252 1.00 0.00 C ATOM 2012 C GLY A 124 10.016 -14.409 8.674 1.00 0.00 C ATOM 2013 O GLY A 124 10.150 -13.473 7.890 1.00 0.00 O ATOM 0 H GLY A 124 9.186 -15.696 6.160 1.00 0.00 H new ATOM 0 HA2 GLY A 124 8.436 -15.854 8.985 1.00 0.00 H new ATOM 0 HA3 GLY A 124 9.860 -16.516 8.208 1.00 0.00 H new ATOM 2017 N ALA A 125 10.592 -14.397 9.884 1.00 0.00 N ATOM 2018 CA ALA A 125 11.342 -13.246 10.397 1.00 0.00 C ATOM 2019 C ALA A 125 12.315 -12.701 9.340 1.00 0.00 C ATOM 2020 O ALA A 125 12.264 -11.521 8.978 1.00 0.00 O ATOM 2021 CB ALA A 125 12.087 -13.627 11.681 1.00 0.00 C ATOM 0 H ALA A 125 10.550 -15.184 10.532 1.00 0.00 H new ATOM 0 HA ALA A 125 10.632 -12.453 10.631 1.00 0.00 H new ATOM 0 HB1 ALA A 125 12.640 -12.763 12.051 1.00 0.00 H new ATOM 0 HB2 ALA A 125 11.370 -13.949 12.436 1.00 0.00 H new ATOM 0 HB3 ALA A 125 12.782 -14.440 11.471 1.00 0.00 H new ATOM 2027 N ASP A 126 13.118 -13.604 8.756 1.00 0.00 N ATOM 2028 CA ASP A 126 14.113 -13.308 7.722 1.00 0.00 C ATOM 2029 C ASP A 126 13.427 -13.157 6.354 1.00 0.00 C ATOM 2030 O ASP A 126 13.751 -13.840 5.387 1.00 0.00 O ATOM 2031 CB ASP A 126 15.162 -14.430 7.706 1.00 0.00 C ATOM 2032 CG ASP A 126 16.301 -14.161 6.721 1.00 0.00 C ATOM 2033 OD1 ASP A 126 16.703 -12.981 6.615 1.00 0.00 O ATOM 2034 OD2 ASP A 126 16.766 -15.146 6.109 1.00 0.00 O ATOM 0 H ASP A 126 13.089 -14.594 9.002 1.00 0.00 H new ATOM 0 HA ASP A 126 14.613 -12.365 7.942 1.00 0.00 H new ATOM 0 HB2 ASP A 126 15.575 -14.550 8.708 1.00 0.00 H new ATOM 0 HB3 ASP A 126 14.677 -15.371 7.446 1.00 0.00 H new ATOM 2039 N ALA A 127 12.467 -12.239 6.303 1.00 0.00 N ATOM 2040 CA ALA A 127 11.638 -11.862 5.171 1.00 0.00 C ATOM 2041 C ALA A 127 10.803 -10.682 5.663 1.00 0.00 C ATOM 2042 O ALA A 127 10.938 -9.579 5.142 1.00 0.00 O ATOM 2043 CB ALA A 127 10.781 -13.036 4.684 1.00 0.00 C ATOM 0 H ALA A 127 12.231 -11.692 7.131 1.00 0.00 H new ATOM 0 HA ALA A 127 12.232 -11.582 4.301 1.00 0.00 H new ATOM 0 HB1 ALA A 127 10.174 -12.717 3.837 1.00 0.00 H new ATOM 0 HB2 ALA A 127 11.429 -13.857 4.377 1.00 0.00 H new ATOM 0 HB3 ALA A 127 10.129 -13.370 5.491 1.00 0.00 H new ATOM 2049 N GLN A 128 10.046 -10.895 6.748 1.00 0.00 N ATOM 2050 CA GLN A 128 9.286 -9.864 7.448 1.00 0.00 C ATOM 2051 C GLN A 128 10.141 -8.612 7.637 1.00 0.00 C ATOM 2052 O GLN A 128 9.699 -7.511 7.318 1.00 0.00 O ATOM 2053 CB GLN A 128 8.846 -10.356 8.833 1.00 0.00 C ATOM 2054 CG GLN A 128 7.795 -11.466 8.810 1.00 0.00 C ATOM 2055 CD GLN A 128 7.606 -12.088 10.192 1.00 0.00 C ATOM 2056 OE1 GLN A 128 7.988 -11.509 11.203 1.00 0.00 O ATOM 2057 NE2 GLN A 128 7.022 -13.278 10.263 1.00 0.00 N ATOM 0 H GLN A 128 9.946 -11.818 7.171 1.00 0.00 H new ATOM 0 HA GLN A 128 8.409 -9.635 6.843 1.00 0.00 H new ATOM 0 HB2 GLN A 128 9.723 -10.715 9.372 1.00 0.00 H new ATOM 0 HB3 GLN A 128 8.450 -9.510 9.396 1.00 0.00 H new ATOM 0 HG2 GLN A 128 6.845 -11.062 8.459 1.00 0.00 H new ATOM 0 HG3 GLN A 128 8.095 -12.237 8.101 1.00 0.00 H new ATOM 0 HE21 GLN A 128 6.711 -13.745 9.411 1.00 0.00 H new ATOM 0 HE22 GLN A 128 6.885 -13.725 11.169 1.00 0.00 H new ATOM 2066 N GLY A 129 11.364 -8.778 8.152 1.00 0.00 N ATOM 2067 CA GLY A 129 12.267 -7.657 8.372 1.00 0.00 C ATOM 2068 C GLY A 129 12.513 -6.870 7.082 1.00 0.00 C ATOM 2069 O GLY A 129 12.399 -5.646 7.061 1.00 0.00 O ATOM 0 H GLY A 129 11.747 -9.684 8.423 1.00 0.00 H new ATOM 0 HA2 GLY A 129 11.847 -6.994 9.129 1.00 0.00 H new ATOM 0 HA3 GLY A 129 13.216 -8.025 8.761 1.00 0.00 H new ATOM 2073 N ALA A 130 12.846 -7.575 6.000 1.00 0.00 N ATOM 2074 CA ALA A 130 13.114 -6.976 4.703 1.00 0.00 C ATOM 2075 C ALA A 130 11.874 -6.246 4.170 1.00 0.00 C ATOM 2076 O ALA A 130 11.981 -5.141 3.635 1.00 0.00 O ATOM 2077 CB ALA A 130 13.599 -8.067 3.747 1.00 0.00 C ATOM 0 H ALA A 130 12.937 -8.591 6.006 1.00 0.00 H new ATOM 0 HA ALA A 130 13.897 -6.223 4.796 1.00 0.00 H new ATOM 0 HB1 ALA A 130 13.804 -7.630 2.770 1.00 0.00 H new ATOM 0 HB2 ALA A 130 14.510 -8.517 4.141 1.00 0.00 H new ATOM 0 HB3 ALA A 130 12.829 -8.833 3.648 1.00 0.00 H new ATOM 2083 N MET A 131 10.701 -6.877 4.276 1.00 0.00 N ATOM 2084 CA MET A 131 9.455 -6.261 3.860 1.00 0.00 C ATOM 2085 C MET A 131 9.188 -4.988 4.662 1.00 0.00 C ATOM 2086 O MET A 131 8.911 -3.935 4.089 1.00 0.00 O ATOM 2087 CB MET A 131 8.315 -7.285 3.962 1.00 0.00 C ATOM 2088 CG MET A 131 6.976 -6.733 3.451 1.00 0.00 C ATOM 2089 SD MET A 131 6.975 -5.999 1.793 1.00 0.00 S ATOM 2090 CE MET A 131 7.625 -7.384 0.839 1.00 0.00 C ATOM 0 H MET A 131 10.597 -7.820 4.650 1.00 0.00 H new ATOM 0 HA MET A 131 9.524 -5.954 2.816 1.00 0.00 H new ATOM 0 HB2 MET A 131 8.579 -8.175 3.390 1.00 0.00 H new ATOM 0 HB3 MET A 131 8.203 -7.596 5.001 1.00 0.00 H new ATOM 0 HG2 MET A 131 6.247 -7.543 3.464 1.00 0.00 H new ATOM 0 HG3 MET A 131 6.628 -5.979 4.157 1.00 0.00 H new ATOM 0 HE1 MET A 131 7.141 -7.412 -0.137 1.00 0.00 H new ATOM 0 HE2 MET A 131 8.700 -7.263 0.708 1.00 0.00 H new ATOM 0 HE3 MET A 131 7.427 -8.316 1.369 1.00 0.00 H new ATOM 2100 N ASN A 132 9.273 -5.076 5.989 1.00 0.00 N ATOM 2101 CA ASN A 132 9.082 -3.918 6.854 1.00 0.00 C ATOM 2102 C ASN A 132 10.057 -2.822 6.438 1.00 0.00 C ATOM 2103 O ASN A 132 9.662 -1.670 6.290 1.00 0.00 O ATOM 2104 CB ASN A 132 9.253 -4.281 8.334 1.00 0.00 C ATOM 2105 CG ASN A 132 7.965 -4.844 8.924 1.00 0.00 C ATOM 2106 OD1 ASN A 132 7.207 -4.127 9.568 1.00 0.00 O ATOM 2107 ND2 ASN A 132 7.694 -6.128 8.710 1.00 0.00 N ATOM 0 H ASN A 132 9.474 -5.943 6.488 1.00 0.00 H new ATOM 0 HA ASN A 132 8.060 -3.556 6.739 1.00 0.00 H new ATOM 0 HB2 ASN A 132 10.053 -5.013 8.440 1.00 0.00 H new ATOM 0 HB3 ASN A 132 9.555 -3.396 8.894 1.00 0.00 H new ATOM 0 HD21 ASN A 132 6.839 -6.538 9.085 1.00 0.00 H new ATOM 0 HD22 ASN A 132 8.341 -6.703 8.171 1.00 0.00 H new ATOM 2114 N LYS A 133 11.329 -3.166 6.228 1.00 0.00 N ATOM 2115 CA LYS A 133 12.318 -2.202 5.773 1.00 0.00 C ATOM 2116 C LYS A 133 11.885 -1.562 4.448 1.00 0.00 C ATOM 2117 O LYS A 133 11.943 -0.341 4.325 1.00 0.00 O ATOM 2118 CB LYS A 133 13.704 -2.850 5.721 1.00 0.00 C ATOM 2119 CG LYS A 133 14.292 -3.030 7.128 1.00 0.00 C ATOM 2120 CD LYS A 133 14.928 -1.719 7.624 1.00 0.00 C ATOM 2121 CE LYS A 133 15.333 -1.806 9.101 1.00 0.00 C ATOM 2122 NZ LYS A 133 14.154 -1.832 9.986 1.00 0.00 N ATOM 0 H LYS A 133 11.694 -4.108 6.368 1.00 0.00 H new ATOM 0 HA LYS A 133 12.388 -1.383 6.489 1.00 0.00 H new ATOM 0 HB2 LYS A 133 13.636 -3.819 5.227 1.00 0.00 H new ATOM 0 HB3 LYS A 133 14.373 -2.233 5.122 1.00 0.00 H new ATOM 0 HG2 LYS A 133 13.508 -3.343 7.818 1.00 0.00 H new ATOM 0 HG3 LYS A 133 15.041 -3.822 7.116 1.00 0.00 H new ATOM 0 HD2 LYS A 133 15.805 -1.489 7.019 1.00 0.00 H new ATOM 0 HD3 LYS A 133 14.223 -0.899 7.488 1.00 0.00 H new ATOM 0 HE2 LYS A 133 15.930 -2.703 9.263 1.00 0.00 H new ATOM 0 HE3 LYS A 133 15.962 -0.954 9.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 14.463 -1.788 10.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 13.545 -1.015 9.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 13.621 -2.711 9.828 1.00 0.00 H new ATOM 2136 N ALA A 134 11.396 -2.337 3.477 1.00 0.00 N ATOM 2137 CA ALA A 134 10.896 -1.774 2.224 1.00 0.00 C ATOM 2138 C ALA A 134 9.751 -0.785 2.469 1.00 0.00 C ATOM 2139 O ALA A 134 9.708 0.303 1.890 1.00 0.00 O ATOM 2140 CB ALA A 134 10.453 -2.905 1.296 1.00 0.00 C ATOM 0 H ALA A 134 11.336 -3.354 3.536 1.00 0.00 H new ATOM 0 HA ALA A 134 11.703 -1.217 1.748 1.00 0.00 H new ATOM 0 HB1 ALA A 134 10.080 -2.484 0.362 1.00 0.00 H new ATOM 0 HB2 ALA A 134 11.301 -3.558 1.087 1.00 0.00 H new ATOM 0 HB3 ALA A 134 9.662 -3.481 1.776 1.00 0.00 H new ATOM 2146 N LEU A 135 8.793 -1.166 3.314 1.00 0.00 N ATOM 2147 CA LEU A 135 7.673 -0.294 3.646 1.00 0.00 C ATOM 2148 C LEU A 135 8.182 0.973 4.350 1.00 0.00 C ATOM 2149 O LEU A 135 7.734 2.082 4.053 1.00 0.00 O ATOM 2150 CB LEU A 135 6.610 -1.078 4.436 1.00 0.00 C ATOM 2151 CG LEU A 135 6.033 -2.248 3.608 1.00 0.00 C ATOM 2152 CD1 LEU A 135 5.346 -3.278 4.511 1.00 0.00 C ATOM 2153 CD2 LEU A 135 5.036 -1.767 2.545 1.00 0.00 C ATOM 0 H LEU A 135 8.773 -2.073 3.780 1.00 0.00 H new ATOM 0 HA LEU A 135 7.175 0.051 2.740 1.00 0.00 H new ATOM 0 HB2 LEU A 135 7.051 -1.465 5.355 1.00 0.00 H new ATOM 0 HB3 LEU A 135 5.803 -0.405 4.728 1.00 0.00 H new ATOM 0 HG LEU A 135 6.879 -2.713 3.103 1.00 0.00 H new ATOM 0 HD11 LEU A 135 4.950 -4.090 3.901 1.00 0.00 H new ATOM 0 HD12 LEU A 135 6.069 -3.678 5.222 1.00 0.00 H new ATOM 0 HD13 LEU A 135 4.530 -2.800 5.053 1.00 0.00 H new ATOM 0 HD21 LEU A 135 4.657 -2.624 1.988 1.00 0.00 H new ATOM 0 HD22 LEU A 135 4.206 -1.254 3.030 1.00 0.00 H new ATOM 0 HD23 LEU A 135 5.536 -1.082 1.861 1.00 0.00 H new ATOM 2165 N GLU A 136 9.184 0.830 5.224 1.00 0.00 N ATOM 2166 CA GLU A 136 9.797 1.941 5.946 1.00 0.00 C ATOM 2167 C GLU A 136 10.436 2.875 4.918 1.00 0.00 C ATOM 2168 O GLU A 136 10.218 4.079 4.963 1.00 0.00 O ATOM 2169 CB GLU A 136 10.860 1.433 6.931 1.00 0.00 C ATOM 2170 CG GLU A 136 10.290 0.764 8.189 1.00 0.00 C ATOM 2171 CD GLU A 136 11.367 -0.021 8.934 1.00 0.00 C ATOM 2172 OE1 GLU A 136 12.420 0.586 9.227 1.00 0.00 O ATOM 2173 OE2 GLU A 136 11.130 -1.222 9.185 1.00 0.00 O ATOM 0 H GLU A 136 9.595 -0.076 5.450 1.00 0.00 H new ATOM 0 HA GLU A 136 9.038 2.469 6.523 1.00 0.00 H new ATOM 0 HB2 GLU A 136 11.504 0.721 6.416 1.00 0.00 H new ATOM 0 HB3 GLU A 136 11.488 2.271 7.233 1.00 0.00 H new ATOM 0 HG2 GLU A 136 9.868 1.523 8.848 1.00 0.00 H new ATOM 0 HG3 GLU A 136 9.476 0.095 7.911 1.00 0.00 H new ATOM 2180 N LEU A 137 11.211 2.317 3.981 1.00 0.00 N ATOM 2181 CA LEU A 137 11.860 3.063 2.915 1.00 0.00 C ATOM 2182 C LEU A 137 10.796 3.832 2.134 1.00 0.00 C ATOM 2183 O LEU A 137 10.922 5.041 1.959 1.00 0.00 O ATOM 2184 CB LEU A 137 12.695 2.115 2.030 1.00 0.00 C ATOM 2185 CG LEU A 137 13.256 2.776 0.757 1.00 0.00 C ATOM 2186 CD1 LEU A 137 14.254 3.892 1.084 1.00 0.00 C ATOM 2187 CD2 LEU A 137 13.945 1.713 -0.107 1.00 0.00 C ATOM 0 H LEU A 137 11.404 1.316 3.948 1.00 0.00 H new ATOM 0 HA LEU A 137 12.561 3.790 3.325 1.00 0.00 H new ATOM 0 HB2 LEU A 137 13.524 1.722 2.618 1.00 0.00 H new ATOM 0 HB3 LEU A 137 12.077 1.264 1.743 1.00 0.00 H new ATOM 0 HG LEU A 137 12.421 3.223 0.217 1.00 0.00 H new ATOM 0 HD11 LEU A 137 14.625 4.331 0.158 1.00 0.00 H new ATOM 0 HD12 LEU A 137 13.759 4.661 1.677 1.00 0.00 H new ATOM 0 HD13 LEU A 137 15.089 3.479 1.650 1.00 0.00 H new ATOM 0 HD21 LEU A 137 14.343 2.179 -1.009 1.00 0.00 H new ATOM 0 HD22 LEU A 137 14.760 1.258 0.456 1.00 0.00 H new ATOM 0 HD23 LEU A 137 13.223 0.945 -0.384 1.00 0.00 H new ATOM 2199 N PHE A 138 9.694 3.170 1.756 1.00 0.00 N ATOM 2200 CA PHE A 138 8.644 3.812 0.981 1.00 0.00 C ATOM 2201 C PHE A 138 8.090 5.015 1.767 1.00 0.00 C ATOM 2202 O PHE A 138 8.259 6.162 1.347 1.00 0.00 O ATOM 2203 CB PHE A 138 7.606 2.744 0.591 1.00 0.00 C ATOM 2204 CG PHE A 138 6.269 3.267 0.114 1.00 0.00 C ATOM 2205 CD1 PHE A 138 6.098 3.722 -1.203 1.00 0.00 C ATOM 2206 CD2 PHE A 138 5.206 3.348 1.024 1.00 0.00 C ATOM 2207 CE1 PHE A 138 4.845 4.198 -1.630 1.00 0.00 C ATOM 2208 CE2 PHE A 138 3.988 3.931 0.635 1.00 0.00 C ATOM 2209 CZ PHE A 138 3.796 4.337 -0.699 1.00 0.00 C ATOM 0 H PHE A 138 9.514 2.191 1.978 1.00 0.00 H new ATOM 0 HA PHE A 138 9.014 4.231 0.045 1.00 0.00 H new ATOM 0 HB2 PHE A 138 8.032 2.121 -0.195 1.00 0.00 H new ATOM 0 HB3 PHE A 138 7.436 2.099 1.453 1.00 0.00 H new ATOM 0 HD1 PHE A 138 6.931 3.707 -1.890 1.00 0.00 H new ATOM 0 HD2 PHE A 138 5.323 2.962 2.026 1.00 0.00 H new ATOM 0 HE1 PHE A 138 4.688 4.456 -2.667 1.00 0.00 H new ATOM 0 HE2 PHE A 138 3.199 4.068 1.360 1.00 0.00 H new ATOM 0 HZ PHE A 138 2.849 4.753 -1.008 1.00 0.00 H new ATOM 2219 N ARG A 139 7.533 4.775 2.960 1.00 0.00 N ATOM 2220 CA ARG A 139 6.959 5.823 3.810 1.00 0.00 C ATOM 2221 C ARG A 139 7.961 6.966 4.058 1.00 0.00 C ATOM 2222 O ARG A 139 7.650 8.149 3.902 1.00 0.00 O ATOM 2223 CB ARG A 139 6.507 5.183 5.135 1.00 0.00 C ATOM 2224 CG ARG A 139 5.275 4.285 4.937 1.00 0.00 C ATOM 2225 CD ARG A 139 4.942 3.422 6.161 1.00 0.00 C ATOM 2226 NE ARG A 139 5.968 2.392 6.377 1.00 0.00 N ATOM 2227 CZ ARG A 139 5.899 1.417 7.297 1.00 0.00 C ATOM 2228 NH1 ARG A 139 4.782 1.205 7.996 1.00 0.00 N ATOM 2229 NH2 ARG A 139 6.954 0.629 7.510 1.00 0.00 N ATOM 0 H ARG A 139 7.468 3.841 3.365 1.00 0.00 H new ATOM 0 HA ARG A 139 6.102 6.268 3.304 1.00 0.00 H new ATOM 0 HB2 ARG A 139 7.324 4.595 5.553 1.00 0.00 H new ATOM 0 HB3 ARG A 139 6.276 5.965 5.858 1.00 0.00 H new ATOM 0 HG2 ARG A 139 4.415 4.910 4.698 1.00 0.00 H new ATOM 0 HG3 ARG A 139 5.444 3.634 4.079 1.00 0.00 H new ATOM 0 HD2 ARG A 139 4.865 4.054 7.046 1.00 0.00 H new ATOM 0 HD3 ARG A 139 3.970 2.948 6.022 1.00 0.00 H new ATOM 0 HE ARG A 139 6.796 2.420 5.782 1.00 0.00 H new ATOM 0 HH11 ARG A 139 3.961 1.789 7.835 1.00 0.00 H new ATOM 0 HH12 ARG A 139 4.749 0.459 8.691 1.00 0.00 H new ATOM 0 HH21 ARG A 139 7.811 0.768 6.974 1.00 0.00 H new ATOM 0 HH22 ARG A 139 6.904 -0.113 8.209 1.00 0.00 H new ATOM 2243 N LYS A 140 9.187 6.610 4.436 1.00 0.00 N ATOM 2244 CA LYS A 140 10.260 7.558 4.688 1.00 0.00 C ATOM 2245 C LYS A 140 10.561 8.395 3.444 1.00 0.00 C ATOM 2246 O LYS A 140 10.805 9.596 3.558 1.00 0.00 O ATOM 2247 CB LYS A 140 11.505 6.784 5.139 1.00 0.00 C ATOM 2248 CG LYS A 140 12.665 7.686 5.587 1.00 0.00 C ATOM 2249 CD LYS A 140 13.954 6.881 5.808 1.00 0.00 C ATOM 2250 CE LYS A 140 13.816 5.743 6.830 1.00 0.00 C ATOM 2251 NZ LYS A 140 13.346 6.228 8.139 1.00 0.00 N ATOM 0 H LYS A 140 9.463 5.638 4.577 1.00 0.00 H new ATOM 0 HA LYS A 140 9.953 8.249 5.473 1.00 0.00 H new ATOM 0 HB2 LYS A 140 11.232 6.123 5.961 1.00 0.00 H new ATOM 0 HB3 LYS A 140 11.845 6.151 4.320 1.00 0.00 H new ATOM 0 HG2 LYS A 140 12.840 8.455 4.835 1.00 0.00 H new ATOM 0 HG3 LYS A 140 12.393 8.199 6.510 1.00 0.00 H new ATOM 0 HD2 LYS A 140 14.275 6.462 4.855 1.00 0.00 H new ATOM 0 HD3 LYS A 140 14.741 7.559 6.139 1.00 0.00 H new ATOM 0 HE2 LYS A 140 13.119 4.997 6.449 1.00 0.00 H new ATOM 0 HE3 LYS A 140 14.779 5.247 6.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 13.300 5.433 8.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 14.006 6.946 8.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 12.400 6.648 8.034 1.00 0.00 H new ATOM 2265 N ASP A 141 10.518 7.795 2.250 1.00 0.00 N ATOM 2266 CA ASP A 141 10.824 8.532 1.042 1.00 0.00 C ATOM 2267 C ASP A 141 9.718 9.552 0.826 1.00 0.00 C ATOM 2268 O ASP A 141 9.988 10.735 0.612 1.00 0.00 O ATOM 2269 CB ASP A 141 10.995 7.565 -0.133 1.00 0.00 C ATOM 2270 CG ASP A 141 11.587 8.282 -1.338 1.00 0.00 C ATOM 2271 OD1 ASP A 141 10.792 8.842 -2.120 1.00 0.00 O ATOM 2272 OD2 ASP A 141 12.832 8.287 -1.444 1.00 0.00 O ATOM 0 H ASP A 141 10.277 6.815 2.105 1.00 0.00 H new ATOM 0 HA ASP A 141 11.769 9.068 1.128 1.00 0.00 H new ATOM 0 HB2 ASP A 141 11.644 6.740 0.160 1.00 0.00 H new ATOM 0 HB3 ASP A 141 10.030 7.133 -0.398 1.00 0.00 H new ATOM 2277 N ILE A 142 8.471 9.087 0.920 1.00 0.00 N ATOM 2278 CA ILE A 142 7.294 9.929 0.783 1.00 0.00 C ATOM 2279 C ILE A 142 7.354 11.132 1.727 1.00 0.00 C ATOM 2280 O ILE A 142 6.983 12.232 1.326 1.00 0.00 O ATOM 2281 CB ILE A 142 6.006 9.094 0.925 1.00 0.00 C ATOM 2282 CG1 ILE A 142 5.955 8.113 -0.250 1.00 0.00 C ATOM 2283 CG2 ILE A 142 4.780 10.008 0.930 1.00 0.00 C ATOM 2284 CD1 ILE A 142 4.557 7.523 -0.457 1.00 0.00 C ATOM 0 H ILE A 142 8.254 8.106 1.095 1.00 0.00 H new ATOM 0 HA ILE A 142 7.277 10.348 -0.223 1.00 0.00 H new ATOM 0 HB ILE A 142 6.005 8.545 1.867 1.00 0.00 H new ATOM 0 HG12 ILE A 142 6.269 8.624 -1.160 1.00 0.00 H new ATOM 0 HG13 ILE A 142 6.666 7.305 -0.076 1.00 0.00 H new ATOM 0 HG21 ILE A 142 3.877 9.405 1.031 1.00 0.00 H new ATOM 0 HG22 ILE A 142 4.848 10.703 1.767 1.00 0.00 H new ATOM 0 HG23 ILE A 142 4.740 10.568 -0.004 1.00 0.00 H new ATOM 0 HD11 ILE A 142 4.574 6.834 -1.302 1.00 0.00 H new ATOM 0 HD12 ILE A 142 4.251 6.988 0.442 1.00 0.00 H new ATOM 0 HD13 ILE A 142 3.849 8.327 -0.659 1.00 0.00 H new ATOM 2296 N ALA A 143 7.795 10.936 2.973 1.00 0.00 N ATOM 2297 CA ALA A 143 7.925 12.028 3.934 1.00 0.00 C ATOM 2298 C ALA A 143 8.714 13.192 3.326 1.00 0.00 C ATOM 2299 O ALA A 143 8.276 14.341 3.370 1.00 0.00 O ATOM 2300 CB ALA A 143 8.583 11.528 5.222 1.00 0.00 C ATOM 0 H ALA A 143 8.069 10.024 3.339 1.00 0.00 H new ATOM 0 HA ALA A 143 6.929 12.394 4.182 1.00 0.00 H new ATOM 0 HB1 ALA A 143 8.673 12.353 5.929 1.00 0.00 H new ATOM 0 HB2 ALA A 143 7.971 10.740 5.661 1.00 0.00 H new ATOM 0 HB3 ALA A 143 9.574 11.135 4.995 1.00 0.00 H new ATOM 2306 N ALA A 144 9.866 12.880 2.730 1.00 0.00 N ATOM 2307 CA ALA A 144 10.695 13.870 2.065 1.00 0.00 C ATOM 2308 C ALA A 144 10.032 14.361 0.775 1.00 0.00 C ATOM 2309 O ALA A 144 10.124 15.547 0.444 1.00 0.00 O ATOM 2310 CB ALA A 144 12.076 13.269 1.794 1.00 0.00 C ATOM 0 H ALA A 144 10.245 11.933 2.698 1.00 0.00 H new ATOM 0 HA ALA A 144 10.812 14.739 2.713 1.00 0.00 H new ATOM 0 HB1 ALA A 144 12.703 14.008 1.295 1.00 0.00 H new ATOM 0 HB2 ALA A 144 12.538 12.979 2.738 1.00 0.00 H new ATOM 0 HB3 ALA A 144 11.972 12.391 1.156 1.00 0.00 H new ATOM 2316 N LYS A 145 9.393 13.461 0.019 1.00 0.00 N ATOM 2317 CA LYS A 145 8.725 13.882 -1.205 1.00 0.00 C ATOM 2318 C LYS A 145 7.650 14.924 -0.915 1.00 0.00 C ATOM 2319 O LYS A 145 7.620 15.931 -1.606 1.00 0.00 O ATOM 2320 CB LYS A 145 8.137 12.724 -2.017 1.00 0.00 C ATOM 2321 CG LYS A 145 9.105 11.631 -2.493 1.00 0.00 C ATOM 2322 CD LYS A 145 10.332 12.107 -3.289 1.00 0.00 C ATOM 2323 CE LYS A 145 11.546 12.540 -2.451 1.00 0.00 C ATOM 2324 NZ LYS A 145 11.963 11.506 -1.489 1.00 0.00 N ATOM 0 H LYS A 145 9.328 12.465 0.229 1.00 0.00 H new ATOM 0 HA LYS A 145 9.504 14.329 -1.823 1.00 0.00 H new ATOM 0 HB2 LYS A 145 7.363 12.249 -1.414 1.00 0.00 H new ATOM 0 HB3 LYS A 145 7.645 13.144 -2.895 1.00 0.00 H new ATOM 0 HG2 LYS A 145 9.456 11.081 -1.620 1.00 0.00 H new ATOM 0 HG3 LYS A 145 8.548 10.927 -3.111 1.00 0.00 H new ATOM 0 HD2 LYS A 145 10.643 11.303 -3.956 1.00 0.00 H new ATOM 0 HD3 LYS A 145 10.031 12.945 -3.918 1.00 0.00 H new ATOM 0 HE2 LYS A 145 12.379 12.771 -3.115 1.00 0.00 H new ATOM 0 HE3 LYS A 145 11.304 13.456 -1.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 145 12.908 11.735 -1.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 145 11.284 11.470 -0.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 145 11.992 10.581 -1.964 1.00 0.00 H new ATOM 2338 N TYR A 146 6.836 14.754 0.130 1.00 0.00 N ATOM 2339 CA TYR A 146 5.738 15.659 0.447 1.00 0.00 C ATOM 2340 C TYR A 146 6.209 17.116 0.426 1.00 0.00 C ATOM 2341 O TYR A 146 5.768 17.932 -0.383 1.00 0.00 O ATOM 2342 CB TYR A 146 5.166 15.288 1.826 1.00 0.00 C ATOM 2343 CG TYR A 146 4.135 14.168 1.892 1.00 0.00 C ATOM 2344 CD1 TYR A 146 3.863 13.329 0.789 1.00 0.00 C ATOM 2345 CD2 TYR A 146 3.387 14.000 3.076 1.00 0.00 C ATOM 2346 CE1 TYR A 146 2.866 12.338 0.878 1.00 0.00 C ATOM 2347 CE2 TYR A 146 2.382 13.029 3.144 1.00 0.00 C ATOM 2348 CZ TYR A 146 2.099 12.211 2.042 1.00 0.00 C ATOM 2349 OH TYR A 146 1.114 11.273 2.119 1.00 0.00 O ATOM 0 H TYR A 146 6.925 13.976 0.783 1.00 0.00 H new ATOM 0 HA TYR A 146 4.957 15.558 -0.307 1.00 0.00 H new ATOM 0 HB2 TYR A 146 6.000 15.013 2.471 1.00 0.00 H new ATOM 0 HB3 TYR A 146 4.715 16.184 2.253 1.00 0.00 H new ATOM 0 HD1 TYR A 146 4.422 13.448 -0.127 1.00 0.00 H new ATOM 0 HD2 TYR A 146 3.591 14.624 3.934 1.00 0.00 H new ATOM 0 HE1 TYR A 146 2.693 11.673 0.045 1.00 0.00 H new ATOM 0 HE2 TYR A 146 1.818 12.908 4.057 1.00 0.00 H new ATOM 0 HH TYR A 146 0.580 11.425 2.927 1.00 0.00 H new ATOM 2359 N LYS A 147 7.180 17.445 1.272 1.00 0.00 N ATOM 2360 CA LYS A 147 7.618 18.830 1.350 1.00 0.00 C ATOM 2361 C LYS A 147 8.321 19.265 0.062 1.00 0.00 C ATOM 2362 O LYS A 147 8.089 20.378 -0.406 1.00 0.00 O ATOM 2363 CB LYS A 147 8.493 19.039 2.592 1.00 0.00 C ATOM 2364 CG LYS A 147 7.709 18.730 3.874 1.00 0.00 C ATOM 2365 CD LYS A 147 8.536 19.080 5.113 1.00 0.00 C ATOM 2366 CE LYS A 147 7.717 18.814 6.381 1.00 0.00 C ATOM 2367 NZ LYS A 147 8.483 19.156 7.592 1.00 0.00 N ATOM 0 H LYS A 147 7.663 16.796 1.893 1.00 0.00 H new ATOM 0 HA LYS A 147 6.741 19.469 1.453 1.00 0.00 H new ATOM 0 HB2 LYS A 147 9.372 18.396 2.535 1.00 0.00 H new ATOM 0 HB3 LYS A 147 8.852 20.068 2.620 1.00 0.00 H new ATOM 0 HG2 LYS A 147 6.777 19.296 3.881 1.00 0.00 H new ATOM 0 HG3 LYS A 147 7.441 17.674 3.896 1.00 0.00 H new ATOM 0 HD2 LYS A 147 9.450 18.487 5.130 1.00 0.00 H new ATOM 0 HD3 LYS A 147 8.836 20.127 5.077 1.00 0.00 H new ATOM 0 HE2 LYS A 147 6.797 19.398 6.352 1.00 0.00 H new ATOM 0 HE3 LYS A 147 7.427 17.764 6.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 147 7.904 18.966 8.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 147 9.348 18.580 7.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 147 8.739 20.164 7.568 1.00 0.00 H new ATOM 2381 N GLU A 148 9.130 18.390 -0.547 1.00 0.00 N ATOM 2382 CA GLU A 148 9.779 18.699 -1.820 1.00 0.00 C ATOM 2383 C GLU A 148 8.734 19.040 -2.895 1.00 0.00 C ATOM 2384 O GLU A 148 8.959 19.882 -3.760 1.00 0.00 O ATOM 2385 CB GLU A 148 10.652 17.506 -2.240 1.00 0.00 C ATOM 2386 CG GLU A 148 11.574 17.812 -3.428 1.00 0.00 C ATOM 2387 CD GLU A 148 12.625 18.866 -3.091 1.00 0.00 C ATOM 2388 OE1 GLU A 148 13.386 18.622 -2.129 1.00 0.00 O ATOM 2389 OE2 GLU A 148 12.651 19.895 -3.800 1.00 0.00 O ATOM 0 H GLU A 148 9.349 17.465 -0.177 1.00 0.00 H new ATOM 0 HA GLU A 148 10.415 19.576 -1.704 1.00 0.00 H new ATOM 0 HB2 GLU A 148 11.259 17.193 -1.390 1.00 0.00 H new ATOM 0 HB3 GLU A 148 10.007 16.666 -2.498 1.00 0.00 H new ATOM 0 HG2 GLU A 148 12.071 16.895 -3.744 1.00 0.00 H new ATOM 0 HG3 GLU A 148 10.975 18.157 -4.271 1.00 0.00 H new ATOM 2396 N LEU A 149 7.594 18.355 -2.839 1.00 0.00 N ATOM 2397 CA LEU A 149 6.458 18.532 -3.721 1.00 0.00 C ATOM 2398 C LEU A 149 5.607 19.742 -3.359 1.00 0.00 C ATOM 2399 O LEU A 149 4.633 20.011 -4.068 1.00 0.00 O ATOM 2400 CB LEU A 149 5.569 17.283 -3.620 1.00 0.00 C ATOM 2401 CG LEU A 149 6.229 16.066 -4.280 1.00 0.00 C ATOM 2402 CD1 LEU A 149 5.458 14.809 -3.887 1.00 0.00 C ATOM 2403 CD2 LEU A 149 6.251 16.184 -5.808 1.00 0.00 C ATOM 0 H LEU A 149 7.437 17.628 -2.141 1.00 0.00 H new ATOM 0 HA LEU A 149 6.848 18.687 -4.727 1.00 0.00 H new ATOM 0 HB2 LEU A 149 5.366 17.064 -2.572 1.00 0.00 H new ATOM 0 HB3 LEU A 149 4.608 17.480 -4.096 1.00 0.00 H new ATOM 0 HG LEU A 149 7.261 16.014 -3.934 1.00 0.00 H new ATOM 0 HD11 LEU A 149 5.920 13.938 -4.352 1.00 0.00 H new ATOM 0 HD12 LEU A 149 5.477 14.695 -2.803 1.00 0.00 H new ATOM 0 HD13 LEU A 149 4.425 14.895 -4.225 1.00 0.00 H new ATOM 0 HD21 LEU A 149 6.727 15.301 -6.234 1.00 0.00 H new ATOM 0 HD22 LEU A 149 5.230 16.262 -6.182 1.00 0.00 H new ATOM 0 HD23 LEU A 149 6.812 17.073 -6.096 1.00 0.00 H new ATOM 2415 N GLY A 150 5.931 20.433 -2.261 1.00 0.00 N ATOM 2416 CA GLY A 150 5.129 21.526 -1.758 1.00 0.00 C ATOM 2417 C GLY A 150 3.685 21.055 -1.661 1.00 0.00 C ATOM 2418 O GLY A 150 2.810 21.619 -2.327 1.00 0.00 O ATOM 0 H GLY A 150 6.762 20.240 -1.702 1.00 0.00 H new ATOM 0 HA2 GLY A 150 5.491 21.844 -0.780 1.00 0.00 H new ATOM 0 HA3 GLY A 150 5.203 22.388 -2.421 1.00 0.00 H new ATOM 2422 N TYR A 151 3.451 19.939 -0.957 1.00 0.00 N ATOM 2423 CA TYR A 151 2.068 19.486 -0.866 1.00 0.00 C ATOM 2424 C TYR A 151 1.235 20.578 -0.182 1.00 0.00 C ATOM 2425 O TYR A 151 1.720 21.250 0.727 1.00 0.00 O ATOM 2426 CB TYR A 151 1.902 18.102 -0.212 1.00 0.00 C ATOM 2427 CG TYR A 151 1.968 18.191 1.291 1.00 0.00 C ATOM 2428 CD1 TYR A 151 3.215 18.456 1.861 1.00 0.00 C ATOM 2429 CD2 TYR A 151 0.794 18.460 2.014 1.00 0.00 C ATOM 2430 CE1 TYR A 151 3.298 19.095 3.108 1.00 0.00 C ATOM 2431 CE2 TYR A 151 0.870 19.156 3.228 1.00 0.00 C ATOM 2432 CZ TYR A 151 2.122 19.484 3.772 1.00 0.00 C ATOM 2433 OH TYR A 151 2.189 20.128 4.971 1.00 0.00 O ATOM 0 H TYR A 151 4.149 19.372 -0.476 1.00 0.00 H new ATOM 0 HA TYR A 151 1.695 19.331 -1.878 1.00 0.00 H new ATOM 0 HB2 TYR A 151 0.947 17.669 -0.511 1.00 0.00 H new ATOM 0 HB3 TYR A 151 2.682 17.432 -0.573 1.00 0.00 H new ATOM 0 HD1 TYR A 151 4.117 18.169 1.341 1.00 0.00 H new ATOM 0 HD2 TYR A 151 -0.163 18.132 1.636 1.00 0.00 H new ATOM 0 HE1 TYR A 151 4.262 19.287 3.556 1.00 0.00 H new ATOM 0 HE2 TYR A 151 -0.035 19.440 3.745 1.00 0.00 H new ATOM 0 HH TYR A 151 1.283 20.324 5.288 1.00 0.00 H new ATOM 2443 N GLN A 152 -0.016 20.746 -0.614 1.00 0.00 N ATOM 2444 CA GLN A 152 -0.889 21.795 -0.103 1.00 0.00 C ATOM 2445 C GLN A 152 -1.749 21.268 1.047 1.00 0.00 C ATOM 2446 O GLN A 152 -1.723 21.819 2.143 1.00 0.00 O ATOM 2447 CB GLN A 152 -1.743 22.398 -1.237 1.00 0.00 C ATOM 2448 CG GLN A 152 -0.958 22.668 -2.536 1.00 0.00 C ATOM 2449 CD GLN A 152 -0.811 21.411 -3.391 1.00 0.00 C ATOM 2450 OE1 GLN A 152 -1.802 20.850 -3.850 1.00 0.00 O ATOM 2451 NE2 GLN A 152 0.409 20.923 -3.581 1.00 0.00 N ATOM 0 H GLN A 152 -0.448 20.158 -1.327 1.00 0.00 H new ATOM 0 HA GLN A 152 -0.271 22.600 0.296 1.00 0.00 H new ATOM 0 HB2 GLN A 152 -2.568 21.720 -1.457 1.00 0.00 H new ATOM 0 HB3 GLN A 152 -2.183 23.333 -0.889 1.00 0.00 H new ATOM 0 HG2 GLN A 152 -1.467 23.440 -3.113 1.00 0.00 H new ATOM 0 HG3 GLN A 152 0.030 23.055 -2.288 1.00 0.00 H new ATOM 0 HE21 GLN A 152 1.218 21.406 -3.190 1.00 0.00 H new ATOM 0 HE22 GLN A 152 0.537 20.065 -4.118 1.00 0.00 H new ATOM 2460 N GLY A 153 -2.542 20.229 0.772 1.00 0.00 N ATOM 2461 CA GLY A 153 -3.471 19.625 1.717 1.00 0.00 C ATOM 2462 C GLY A 153 -4.886 19.693 1.154 1.00 0.00 C ATOM 2463 O GLY A 153 -5.435 20.783 0.994 1.00 0.00 O ATOM 0 H GLY A 153 -2.552 19.776 -0.142 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -3.192 18.588 1.905 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -3.423 20.146 2.673 1.00 0.00 H new TER 2467 GLY A 153 HETATM 2468 FE HEM A 154 -3.967 5.395 -2.966 1.00 0.00 FE HETATM 2469 CHA HEM A 154 -5.697 6.736 -5.608 1.00 0.00 C HETATM 2470 CHB HEM A 154 -1.663 4.041 -5.157 1.00 0.00 C HETATM 2471 CHC HEM A 154 -2.281 4.045 -0.352 1.00 0.00 C HETATM 2472 CHD HEM A 154 -6.423 6.486 -0.830 1.00 0.00 C HETATM 2473 NA HEM A 154 -3.766 5.329 -4.982 1.00 0.00 N HETATM 2474 C1A HEM A 154 -4.514 6.055 -5.893 1.00 0.00 C HETATM 2475 C2A HEM A 154 -3.874 6.032 -7.189 1.00 0.00 C HETATM 2476 C3A HEM A 154 -2.841 5.151 -7.103 1.00 0.00 C HETATM 2477 C4A HEM A 154 -2.738 4.747 -5.711 1.00 0.00 C HETATM 2478 CMA HEM A 154 -1.834 4.817 -8.175 1.00 0.00 C HETATM 2479 CAA HEM A 154 -4.273 6.894 -8.371 1.00 0.00 C HETATM 2480 CBA HEM A 154 -3.713 8.330 -8.357 1.00 0.00 C HETATM 2481 CGA HEM A 154 -4.351 9.239 -7.305 1.00 0.00 C HETATM 2482 O1A HEM A 154 -4.991 10.228 -7.721 1.00 0.00 O HETATM 2483 O2A HEM A 154 -3.863 9.174 -6.159 1.00 0.00 O HETATM 2484 NB HEM A 154 -2.307 4.265 -2.793 1.00 0.00 N HETATM 2485 C1B HEM A 154 -1.443 3.846 -3.791 1.00 0.00 C HETATM 2486 C2B HEM A 154 -0.298 3.171 -3.197 1.00 0.00 C HETATM 2487 C3B HEM A 154 -0.547 3.070 -1.865 1.00 0.00 C HETATM 2488 C4B HEM A 154 -1.766 3.802 -1.616 1.00 0.00 C HETATM 2489 CMB HEM A 154 0.928 2.703 -3.934 1.00 0.00 C HETATM 2490 CAB HEM A 154 0.315 2.472 -0.782 1.00 0.00 C HETATM 2491 CBB HEM A 154 0.649 1.176 -0.809 1.00 0.00 C HETATM 2492 NC HEM A 154 -4.240 5.368 -0.973 1.00 0.00 N HETATM 2493 C1C HEM A 154 -3.440 4.745 -0.041 1.00 0.00 C HETATM 2494 C2C HEM A 154 -4.064 4.789 1.265 1.00 0.00 C HETATM 2495 C3C HEM A 154 -5.282 5.374 1.093 1.00 0.00 C HETATM 2496 C4C HEM A 154 -5.356 5.790 -0.280 1.00 0.00 C HETATM 2497 CMC HEM A 154 -3.462 4.230 2.531 1.00 0.00 C HETATM 2498 CAC HEM A 154 -6.367 5.643 2.099 1.00 0.00 C HETATM 2499 CBC HEM A 154 -6.029 5.985 3.341 1.00 0.00 C HETATM 2500 ND HEM A 154 -5.643 6.503 -3.168 1.00 0.00 N HETATM 2501 C1D HEM A 154 -6.539 6.832 -2.167 1.00 0.00 C HETATM 2502 C2D HEM A 154 -7.674 7.514 -2.714 1.00 0.00 C HETATM 2503 C3D HEM A 154 -7.545 7.501 -4.060 1.00 0.00 C HETATM 2504 C4D HEM A 154 -6.260 6.886 -4.346 1.00 0.00 C HETATM 2505 CMD HEM A 154 -8.808 8.062 -1.897 1.00 0.00 C HETATM 2506 CAD HEM A 154 -8.566 8.003 -5.050 1.00 0.00 C HETATM 2507 CBD HEM A 154 -9.807 7.113 -5.113 1.00 0.00 C HETATM 2508 CGD HEM A 154 -10.963 7.826 -5.796 1.00 0.00 C HETATM 2509 O1D HEM A 154 -10.889 7.868 -7.043 1.00 0.00 O HETATM 2510 O2D HEM A 154 -12.025 7.915 -5.135 1.00 0.00 O HETATM 0 HMA1 HEM A 154 -2.339 4.743 -9.138 1.00 0.00 H new HETATM 0 HMA2 HEM A 154 -1.357 3.865 -7.942 1.00 0.00 H new HETATM 0 HMA3 HEM A 154 -1.078 5.601 -8.221 1.00 0.00 H new HETATM 0 HMB1 HEM A 154 1.789 2.735 -3.266 1.00 0.00 H new HETATM 0 HMB2 HEM A 154 1.109 3.353 -4.790 1.00 0.00 H new HETATM 0 HMB3 HEM A 154 0.776 1.681 -4.281 1.00 0.00 H new HETATM 0 HMC1 HEM A 154 -2.826 3.379 2.287 1.00 0.00 H new HETATM 0 HMC2 HEM A 154 -4.259 3.907 3.201 1.00 0.00 H new HETATM 0 HMC3 HEM A 154 -2.866 5.000 3.021 1.00 0.00 H new HETATM 0 HMD1 HEM A 154 -9.229 8.934 -2.398 1.00 0.00 H new HETATM 0 HMD2 HEM A 154 -8.440 8.352 -0.913 1.00 0.00 H new HETATM 0 HMD3 HEM A 154 -9.579 7.299 -1.787 1.00 0.00 H new HETATM 0 HBB1 HEM A 154 1.273 0.757 -0.019 1.00 0.00 H new HETATM 0 HBB2 HEM A 154 0.297 0.539 -1.621 1.00 0.00 H new HETATM 0 HBC1 HEM A 154 -6.804 6.183 4.082 1.00 0.00 H new HETATM 0 HBC2 HEM A 154 -4.978 6.067 3.617 1.00 0.00 H new HETATM 0 HBA1 HEM A 154 -3.858 8.775 -9.342 1.00 0.00 H new HETATM 0 HBA2 HEM A 154 -2.638 8.288 -8.181 1.00 0.00 H new HETATM 0 HAA1 HEM A 154 -5.361 6.946 -8.411 1.00 0.00 H new HETATM 0 HAA2 HEM A 154 -3.944 6.402 -9.286 1.00 0.00 H new HETATM 0 HBD1 HEM A 154 -10.101 6.823 -4.104 1.00 0.00 H new HETATM 0 HBD2 HEM A 154 -9.572 6.196 -5.653 1.00 0.00 H new HETATM 0 HAD1 HEM A 154 -8.112 8.058 -6.039 1.00 0.00 H new HETATM 0 HAD2 HEM A 154 -8.863 9.016 -4.779 1.00 0.00 H new HETATM 0 HHA HEM A 154 -6.221 7.185 -6.439 1.00 0.00 H new HETATM 0 HHB HEM A 154 -0.946 3.612 -5.841 1.00 0.00 H new HETATM 0 HHC HEM A 154 -1.721 3.647 0.481 1.00 0.00 H new HETATM 0 HHD HEM A 154 -7.223 6.780 -0.167 1.00 0.00 H new HETATM 0 HAB HEM A 154 0.671 3.103 0.033 1.00 0.00 H new HETATM 0 HAC HEM A 154 -7.416 5.559 1.815 1.00 0.00 H new HETATM 2541 C CMO A 155 -4.995 3.992 -2.899 1.00 0.00 C HETATM 2542 O CMO A 155 -5.673 3.112 -2.775 1.00 0.00 O