USER MOD reduce.3.24.130724 H: found=0, std=0, add=1112, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1105 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 112 MET CE :methyl -157:sc= -0.464 (180deg=-1.64!) USER MOD Set 1.2: A 134 HIS : no HE2:sc= 0.352 K(o=0.78,f=-0.74) USER MOD Set 1.3: A 138 TYR OH : rot 150:sc= 0.89 USER MOD Set 2.1: A 85 THR OG1 : rot -180:sc= 2.26 USER MOD Set 2.2: A 98 GLN : amide:sc= -2.19 K(o=0.061,f=-6.5!) USER MOD Set 3.1: A 72 ASN : amide:sc= -0.526 K(o=-0.84,f=-9.1!) USER MOD Set 3.2: A 87 HIS : no HD1:sc= -0.313 K(o=-0.84,f=-0.25) USER MOD Set 4.1: A 14 GLN : amide:sc= -1.25! X(o=-0.84!,f=-0.34) USER MOD Set 4.2: A 55 TYR OH : rot 179:sc= 0.41 USER MOD Set 5.1: A 29 LYS NZ :NH3+ -175:sc= 1.31 (180deg=0) USER MOD Set 5.2: A 43 TYR OH : rot 27:sc= 2.23 USER MOD Single : A 1 ALA N :NH3+ -166:sc= 1.27 (180deg=1.13) USER MOD Single : A 5 HIS : no HE2:sc= 0.786 K(o=0.79,f=-2.7!) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 12 HIS : no HE2:sc= -0.958 K(o=-0.96,f=-4!) USER MOD Single : A 17 LYS NZ :NH3+ -165:sc= 1.28 (180deg=0.857) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 30 HIS : no HD1:sc= -0.0367 X(o=-0.037,f=-0.037) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= -0.0943 USER MOD Single : A 36 MET CE :methyl 178:sc= -1.02 (180deg=-1.03) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -1.48 K(o=-1.5,f=-0.45) USER MOD Single : A 52 LYS NZ :NH3+ -113:sc= -0.0462 (180deg=-1.26) USER MOD Single : A 53 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0142) USER MOD Single : A 60 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.105) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 MET CE :methyl -173:sc= -0.382 (180deg=-0.463) USER MOD Single : A 66 SER OG : rot 42:sc= 0.191 USER MOD Single : A 69 SER OG : rot -108:sc= 0.839 USER MOD Single : A 70 LYS NZ :NH3+ 168:sc= -0.0314 (180deg=-0.246) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot 180:sc= -1.86! USER MOD Single : A 94 SER OG : rot -170:sc= 2.03 USER MOD Single : A 99 SER OG : rot 35:sc= 0.268 USER MOD Single : A 102 GLN : amide:sc= -0.749 K(o=-0.75,f=-0.014) USER MOD Single : A 110 SER OG : rot -8:sc= 1.01 USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 113 GLN : amide:sc= -0.493! X(o=-0.49!,f=-0.8) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc=-0.00906 K(o=-0.0091,f=-1.4) USER MOD Single : A 118 LYS NZ :NH3+ 165:sc= -0.0752 (180deg=-0.342) USER MOD Single : A 124 THR OG1 : rot 127:sc= 1.32 USER MOD Single : A 125 LYS NZ :NH3+ -141:sc= 2.31 (180deg=0.96) USER MOD Single : A 135 MET CE :methyl -112:sc= -0.41 (180deg=-2.58!) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 THR OG1 : rot 180:sc= 0 USER MOD Single : A 139 SER OG : rot -4:sc= 0.5 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 28.462 9.892 1.448 1.00 0.00 N ATOM 2 CA ALA A 1 29.347 9.031 0.684 1.00 0.00 C ATOM 3 C ALA A 1 30.040 9.852 -0.373 1.00 0.00 C ATOM 4 O ALA A 1 29.459 10.169 -1.421 1.00 0.00 O ATOM 5 CB ALA A 1 28.573 7.879 0.057 1.00 0.00 C ATOM 0 H1 ALA A 1 28.164 9.402 2.315 1.00 0.00 H new ATOM 0 H2 ALA A 1 28.962 10.768 1.700 1.00 0.00 H new ATOM 0 H3 ALA A 1 27.625 10.124 0.876 1.00 0.00 H new ATOM 0 HA ALA A 1 30.094 8.598 1.350 1.00 0.00 H new ATOM 0 HB1 ALA A 1 29.257 7.247 -0.510 1.00 0.00 H new ATOM 0 HB2 ALA A 1 28.100 7.288 0.842 1.00 0.00 H new ATOM 0 HB3 ALA A 1 27.807 8.275 -0.610 1.00 0.00 H new ATOM 13 N GLU A 2 31.249 10.253 -0.074 1.00 0.00 N ATOM 14 CA GLU A 2 32.025 11.055 -0.973 1.00 0.00 C ATOM 15 C GLU A 2 33.203 10.240 -1.431 1.00 0.00 C ATOM 16 O GLU A 2 33.750 9.450 -0.643 1.00 0.00 O ATOM 17 CB GLU A 2 32.543 12.361 -0.315 1.00 0.00 C ATOM 18 CG GLU A 2 31.488 13.301 0.286 1.00 0.00 C ATOM 19 CD GLU A 2 30.906 12.813 1.593 1.00 0.00 C ATOM 20 OE1 GLU A 2 31.549 12.988 2.649 1.00 0.00 O ATOM 21 OE2 GLU A 2 29.804 12.242 1.600 1.00 0.00 O ATOM 0 H GLU A 2 31.720 10.030 0.803 1.00 0.00 H new ATOM 0 HA GLU A 2 31.383 11.344 -1.805 1.00 0.00 H new ATOM 0 HB2 GLU A 2 33.244 12.089 0.474 1.00 0.00 H new ATOM 0 HB3 GLU A 2 33.107 12.918 -1.064 1.00 0.00 H new ATOM 0 HG2 GLU A 2 31.937 14.282 0.443 1.00 0.00 H new ATOM 0 HG3 GLU A 2 30.680 13.432 -0.434 1.00 0.00 H new ATOM 28 N VAL A 3 33.596 10.439 -2.690 1.00 0.00 N ATOM 29 CA VAL A 3 34.720 9.746 -3.329 1.00 0.00 C ATOM 30 C VAL A 3 34.421 8.224 -3.363 1.00 0.00 C ATOM 31 O VAL A 3 33.291 7.788 -3.062 1.00 0.00 O ATOM 32 CB VAL A 3 36.083 10.070 -2.580 1.00 0.00 C ATOM 33 CG1 VAL A 3 37.325 9.664 -3.377 1.00 0.00 C ATOM 34 CG2 VAL A 3 36.162 11.544 -2.209 1.00 0.00 C ATOM 0 H VAL A 3 33.131 11.102 -3.310 1.00 0.00 H new ATOM 0 HA VAL A 3 34.837 10.099 -4.354 1.00 0.00 H new ATOM 0 HB VAL A 3 36.076 9.465 -1.673 1.00 0.00 H new ATOM 0 HG11 VAL A 3 38.220 9.914 -2.808 1.00 0.00 H new ATOM 0 HG12 VAL A 3 37.302 8.591 -3.565 1.00 0.00 H new ATOM 0 HG13 VAL A 3 37.338 10.198 -4.327 1.00 0.00 H new ATOM 0 HG21 VAL A 3 37.104 11.740 -1.697 1.00 0.00 H new ATOM 0 HG22 VAL A 3 36.107 12.150 -3.113 1.00 0.00 H new ATOM 0 HG23 VAL A 3 35.332 11.798 -1.550 1.00 0.00 H new ATOM 44 N GLU A 4 35.340 7.448 -3.818 1.00 0.00 N ATOM 45 CA GLU A 4 35.192 6.050 -3.777 1.00 0.00 C ATOM 46 C GLU A 4 36.001 5.508 -2.623 1.00 0.00 C ATOM 47 O GLU A 4 37.202 5.812 -2.476 1.00 0.00 O ATOM 48 CB GLU A 4 35.550 5.414 -5.108 1.00 0.00 C ATOM 49 CG GLU A 4 36.959 5.671 -5.600 1.00 0.00 C ATOM 50 CD GLU A 4 37.204 5.027 -6.930 1.00 0.00 C ATOM 51 OE1 GLU A 4 36.781 5.591 -7.960 1.00 0.00 O ATOM 52 OE2 GLU A 4 37.819 3.959 -6.979 1.00 0.00 O ATOM 0 H GLU A 4 36.215 7.773 -4.229 1.00 0.00 H new ATOM 0 HA GLU A 4 34.146 5.792 -3.608 1.00 0.00 H new ATOM 0 HB2 GLU A 4 35.404 4.337 -5.026 1.00 0.00 H new ATOM 0 HB3 GLU A 4 34.850 5.774 -5.862 1.00 0.00 H new ATOM 0 HG2 GLU A 4 37.127 6.745 -5.678 1.00 0.00 H new ATOM 0 HG3 GLU A 4 37.675 5.288 -4.872 1.00 0.00 H new ATOM 59 N HIS A 5 35.350 4.761 -1.799 1.00 0.00 N ATOM 60 CA HIS A 5 35.934 4.228 -0.597 1.00 0.00 C ATOM 61 C HIS A 5 35.773 2.742 -0.529 1.00 0.00 C ATOM 62 O HIS A 5 34.924 2.173 -1.194 1.00 0.00 O ATOM 63 CB HIS A 5 35.373 4.916 0.666 1.00 0.00 C ATOM 64 CG HIS A 5 33.872 5.150 0.672 1.00 0.00 C ATOM 65 ND1 HIS A 5 32.933 4.255 1.142 1.00 0.00 N ATOM 66 CD2 HIS A 5 33.168 6.237 0.264 1.00 0.00 C ATOM 67 CE1 HIS A 5 31.727 4.815 1.013 1.00 0.00 C ATOM 68 NE2 HIS A 5 31.815 6.021 0.484 1.00 0.00 N ATOM 0 H HIS A 5 34.376 4.493 -1.937 1.00 0.00 H new ATOM 0 HA HIS A 5 37.002 4.444 -0.631 1.00 0.00 H new ATOM 0 HB2 HIS A 5 35.632 4.310 1.534 1.00 0.00 H new ATOM 0 HB3 HIS A 5 35.873 5.877 0.788 1.00 0.00 H new ATOM 0 HD1 HIS A 5 33.126 3.328 1.522 1.00 0.00 H new ATOM 0 HD2 HIS A 5 33.595 7.131 -0.165 1.00 0.00 H new ATOM 0 HE1 HIS A 5 30.800 4.342 1.304 1.00 0.00 H new ATOM 76 N TYR A 6 36.593 2.132 0.267 1.00 0.00 N ATOM 77 CA TYR A 6 36.643 0.703 0.415 1.00 0.00 C ATOM 78 C TYR A 6 35.700 0.272 1.498 1.00 0.00 C ATOM 79 O TYR A 6 35.351 -0.909 1.604 1.00 0.00 O ATOM 80 CB TYR A 6 38.065 0.289 0.768 1.00 0.00 C ATOM 81 CG TYR A 6 39.081 0.741 -0.248 1.00 0.00 C ATOM 82 CD1 TYR A 6 39.576 2.041 -0.229 1.00 0.00 C ATOM 83 CD2 TYR A 6 39.529 -0.119 -1.235 1.00 0.00 C ATOM 84 CE1 TYR A 6 40.490 2.464 -1.167 1.00 0.00 C ATOM 85 CE2 TYR A 6 40.440 0.296 -2.176 1.00 0.00 C ATOM 86 CZ TYR A 6 40.918 1.585 -2.137 1.00 0.00 C ATOM 87 OH TYR A 6 41.822 2.000 -3.083 1.00 0.00 O ATOM 0 H TYR A 6 37.268 2.625 0.851 1.00 0.00 H new ATOM 0 HA TYR A 6 36.346 0.226 -0.519 1.00 0.00 H new ATOM 0 HB2 TYR A 6 38.326 0.702 1.743 1.00 0.00 H new ATOM 0 HB3 TYR A 6 38.109 -0.796 0.859 1.00 0.00 H new ATOM 0 HD1 TYR A 6 39.238 2.728 0.533 1.00 0.00 H new ATOM 0 HD2 TYR A 6 39.157 -1.132 -1.266 1.00 0.00 H new ATOM 0 HE1 TYR A 6 40.868 3.475 -1.143 1.00 0.00 H new ATOM 0 HE2 TYR A 6 40.779 -0.386 -2.942 1.00 0.00 H new ATOM 0 HH TYR A 6 42.021 1.259 -3.693 1.00 0.00 H new ATOM 97 N GLU A 7 35.337 1.214 2.335 1.00 0.00 N ATOM 98 CA GLU A 7 34.376 0.976 3.372 1.00 0.00 C ATOM 99 C GLU A 7 33.016 0.744 2.776 1.00 0.00 C ATOM 100 O GLU A 7 32.538 1.573 1.991 1.00 0.00 O ATOM 101 CB GLU A 7 34.323 2.149 4.337 1.00 0.00 C ATOM 102 CG GLU A 7 35.577 2.295 5.151 1.00 0.00 C ATOM 103 CD GLU A 7 35.855 1.059 5.963 1.00 0.00 C ATOM 104 OE1 GLU A 7 35.194 0.845 7.006 1.00 0.00 O ATOM 105 OE2 GLU A 7 36.744 0.278 5.580 1.00 0.00 O ATOM 0 H GLU A 7 35.703 2.166 2.312 1.00 0.00 H new ATOM 0 HA GLU A 7 34.682 0.086 3.923 1.00 0.00 H new ATOM 0 HB2 GLU A 7 34.152 3.067 3.775 1.00 0.00 H new ATOM 0 HB3 GLU A 7 33.473 2.023 5.008 1.00 0.00 H new ATOM 0 HG2 GLU A 7 36.420 2.494 4.490 1.00 0.00 H new ATOM 0 HG3 GLU A 7 35.483 3.154 5.815 1.00 0.00 H new ATOM 112 N PRO A 8 32.386 -0.388 3.091 1.00 0.00 N ATOM 113 CA PRO A 8 31.065 -0.666 2.624 1.00 0.00 C ATOM 114 C PRO A 8 30.027 0.061 3.470 1.00 0.00 C ATOM 115 O PRO A 8 30.333 0.583 4.553 1.00 0.00 O ATOM 116 CB PRO A 8 30.900 -2.177 2.785 1.00 0.00 C ATOM 117 CG PRO A 8 32.133 -2.673 3.489 1.00 0.00 C ATOM 118 CD PRO A 8 32.914 -1.473 3.931 1.00 0.00 C ATOM 0 HA PRO A 8 30.924 -0.336 1.595 1.00 0.00 H new ATOM 0 HB2 PRO A 8 30.005 -2.409 3.362 1.00 0.00 H new ATOM 0 HB3 PRO A 8 30.788 -2.660 1.814 1.00 0.00 H new ATOM 0 HG2 PRO A 8 31.863 -3.291 4.345 1.00 0.00 H new ATOM 0 HG3 PRO A 8 32.731 -3.295 2.823 1.00 0.00 H new ATOM 0 HD2 PRO A 8 32.767 -1.267 4.991 1.00 0.00 H new ATOM 0 HD3 PRO A 8 33.984 -1.613 3.779 1.00 0.00 H new ATOM 126 N LEU A 9 28.827 0.078 3.001 1.00 0.00 N ATOM 127 CA LEU A 9 27.759 0.768 3.678 1.00 0.00 C ATOM 128 C LEU A 9 26.703 -0.252 4.032 1.00 0.00 C ATOM 129 O LEU A 9 26.171 -0.898 3.145 1.00 0.00 O ATOM 130 CB LEU A 9 27.158 1.838 2.734 1.00 0.00 C ATOM 131 CG LEU A 9 26.542 3.111 3.382 1.00 0.00 C ATOM 132 CD1 LEU A 9 25.348 2.796 4.270 1.00 0.00 C ATOM 133 CD2 LEU A 9 27.597 3.885 4.164 1.00 0.00 C ATOM 0 H LEU A 9 28.548 -0.384 2.136 1.00 0.00 H new ATOM 0 HA LEU A 9 28.127 1.261 4.578 1.00 0.00 H new ATOM 0 HB2 LEU A 9 27.942 2.157 2.047 1.00 0.00 H new ATOM 0 HB3 LEU A 9 26.384 1.359 2.134 1.00 0.00 H new ATOM 0 HG LEU A 9 26.178 3.733 2.564 1.00 0.00 H new ATOM 0 HD11 LEU A 9 24.958 3.720 4.696 1.00 0.00 H new ATOM 0 HD12 LEU A 9 24.571 2.313 3.677 1.00 0.00 H new ATOM 0 HD13 LEU A 9 25.658 2.129 5.074 1.00 0.00 H new ATOM 0 HD21 LEU A 9 27.143 4.771 4.608 1.00 0.00 H new ATOM 0 HD22 LEU A 9 28.003 3.251 4.952 1.00 0.00 H new ATOM 0 HD23 LEU A 9 28.400 4.187 3.491 1.00 0.00 H new ATOM 145 N GLN A 10 26.454 -0.441 5.307 1.00 0.00 N ATOM 146 CA GLN A 10 25.413 -1.331 5.758 1.00 0.00 C ATOM 147 C GLN A 10 24.082 -0.652 5.647 1.00 0.00 C ATOM 148 O GLN A 10 23.721 0.187 6.470 1.00 0.00 O ATOM 149 CB GLN A 10 25.665 -1.805 7.178 1.00 0.00 C ATOM 150 CG GLN A 10 26.859 -2.706 7.280 1.00 0.00 C ATOM 151 CD GLN A 10 27.109 -3.265 8.652 1.00 0.00 C ATOM 152 OE1 GLN A 10 26.189 -3.477 9.443 1.00 0.00 O ATOM 153 NE2 GLN A 10 28.350 -3.540 8.928 1.00 0.00 N ATOM 0 H GLN A 10 26.968 0.018 6.059 1.00 0.00 H new ATOM 0 HA GLN A 10 25.413 -2.214 5.119 1.00 0.00 H new ATOM 0 HB2 GLN A 10 25.810 -0.940 7.826 1.00 0.00 H new ATOM 0 HB3 GLN A 10 24.784 -2.332 7.543 1.00 0.00 H new ATOM 0 HG2 GLN A 10 26.733 -3.534 6.583 1.00 0.00 H new ATOM 0 HG3 GLN A 10 27.743 -2.153 6.961 1.00 0.00 H new ATOM 0 HE21 GLN A 10 29.080 -3.347 8.242 1.00 0.00 H new ATOM 0 HE22 GLN A 10 28.593 -3.948 9.830 1.00 0.00 H new ATOM 162 N VAL A 11 23.385 -0.984 4.619 1.00 0.00 N ATOM 163 CA VAL A 11 22.127 -0.376 4.324 1.00 0.00 C ATOM 164 C VAL A 11 21.015 -1.272 4.782 1.00 0.00 C ATOM 165 O VAL A 11 20.957 -2.435 4.386 1.00 0.00 O ATOM 166 CB VAL A 11 21.931 -0.192 2.806 1.00 0.00 C ATOM 167 CG1 VAL A 11 20.780 0.734 2.525 1.00 0.00 C ATOM 168 CG2 VAL A 11 23.189 0.259 2.106 1.00 0.00 C ATOM 0 H VAL A 11 23.673 -1.695 3.947 1.00 0.00 H new ATOM 0 HA VAL A 11 22.114 0.590 4.829 1.00 0.00 H new ATOM 0 HB VAL A 11 21.690 -1.172 2.395 1.00 0.00 H new ATOM 0 HG11 VAL A 11 20.660 0.849 1.448 1.00 0.00 H new ATOM 0 HG12 VAL A 11 19.866 0.318 2.949 1.00 0.00 H new ATOM 0 HG13 VAL A 11 20.978 1.707 2.974 1.00 0.00 H new ATOM 0 HG21 VAL A 11 22.992 0.372 1.040 1.00 0.00 H new ATOM 0 HG22 VAL A 11 23.512 1.215 2.518 1.00 0.00 H new ATOM 0 HG23 VAL A 11 23.973 -0.483 2.253 1.00 0.00 H new ATOM 178 N HIS A 12 20.159 -0.764 5.604 1.00 0.00 N ATOM 179 CA HIS A 12 18.977 -1.479 5.954 1.00 0.00 C ATOM 180 C HIS A 12 17.865 -0.937 5.086 1.00 0.00 C ATOM 181 O HIS A 12 17.417 0.191 5.257 1.00 0.00 O ATOM 182 CB HIS A 12 18.631 -1.343 7.450 1.00 0.00 C ATOM 183 CG HIS A 12 17.413 -2.140 7.854 1.00 0.00 C ATOM 184 ND1 HIS A 12 16.303 -1.607 8.477 1.00 0.00 N ATOM 185 CD2 HIS A 12 17.154 -3.461 7.701 1.00 0.00 C ATOM 186 CE1 HIS A 12 15.423 -2.593 8.669 1.00 0.00 C ATOM 187 NE2 HIS A 12 15.895 -3.745 8.215 1.00 0.00 N ATOM 0 H HIS A 12 20.256 0.149 6.048 1.00 0.00 H new ATOM 0 HA HIS A 12 19.124 -2.546 5.785 1.00 0.00 H new ATOM 0 HB2 HIS A 12 19.484 -1.669 8.045 1.00 0.00 H new ATOM 0 HB3 HIS A 12 18.463 -0.292 7.683 1.00 0.00 H new ATOM 0 HD1 HIS A 12 16.177 -0.631 8.744 1.00 0.00 H new ATOM 0 HD2 HIS A 12 17.822 -4.180 7.250 1.00 0.00 H new ATOM 0 HE1 HIS A 12 14.456 -2.468 9.133 1.00 0.00 H new ATOM 195 N VAL A 13 17.503 -1.695 4.114 1.00 0.00 N ATOM 196 CA VAL A 13 16.487 -1.321 3.207 1.00 0.00 C ATOM 197 C VAL A 13 15.179 -1.909 3.628 1.00 0.00 C ATOM 198 O VAL A 13 15.088 -3.092 4.009 1.00 0.00 O ATOM 199 CB VAL A 13 16.808 -1.725 1.734 1.00 0.00 C ATOM 200 CG1 VAL A 13 18.061 -1.069 1.263 1.00 0.00 C ATOM 201 CG2 VAL A 13 16.936 -3.215 1.558 1.00 0.00 C ATOM 0 H VAL A 13 17.915 -2.609 3.926 1.00 0.00 H new ATOM 0 HA VAL A 13 16.428 -0.233 3.231 1.00 0.00 H new ATOM 0 HB VAL A 13 15.964 -1.384 1.135 1.00 0.00 H new ATOM 0 HG11 VAL A 13 18.263 -1.367 0.234 1.00 0.00 H new ATOM 0 HG12 VAL A 13 17.945 0.014 1.312 1.00 0.00 H new ATOM 0 HG13 VAL A 13 18.892 -1.374 1.899 1.00 0.00 H new ATOM 0 HG21 VAL A 13 17.159 -3.440 0.515 1.00 0.00 H new ATOM 0 HG22 VAL A 13 17.741 -3.588 2.191 1.00 0.00 H new ATOM 0 HG23 VAL A 13 16.000 -3.697 1.841 1.00 0.00 H new ATOM 211 N GLN A 14 14.200 -1.090 3.626 1.00 0.00 N ATOM 212 CA GLN A 14 12.870 -1.528 3.871 1.00 0.00 C ATOM 213 C GLN A 14 12.183 -1.556 2.535 1.00 0.00 C ATOM 214 O GLN A 14 11.972 -0.503 1.925 1.00 0.00 O ATOM 215 CB GLN A 14 12.129 -0.592 4.837 1.00 0.00 C ATOM 216 CG GLN A 14 10.682 -1.009 5.083 1.00 0.00 C ATOM 217 CD GLN A 14 9.887 -0.036 5.938 1.00 0.00 C ATOM 218 OE1 GLN A 14 10.412 0.638 6.807 1.00 0.00 O ATOM 219 NE2 GLN A 14 8.612 0.056 5.668 1.00 0.00 N ATOM 0 H GLN A 14 14.292 -0.089 3.454 1.00 0.00 H new ATOM 0 HA GLN A 14 12.875 -2.510 4.344 1.00 0.00 H new ATOM 0 HB2 GLN A 14 12.660 -0.567 5.788 1.00 0.00 H new ATOM 0 HB3 GLN A 14 12.146 0.421 4.436 1.00 0.00 H new ATOM 0 HG2 GLN A 14 10.181 -1.123 4.122 1.00 0.00 H new ATOM 0 HG3 GLN A 14 10.675 -1.987 5.564 1.00 0.00 H new ATOM 0 HE21 GLN A 14 8.203 -0.522 4.934 1.00 0.00 H new ATOM 0 HE22 GLN A 14 8.026 0.706 6.191 1.00 0.00 H new ATOM 228 N LEU A 15 11.926 -2.730 2.034 1.00 0.00 N ATOM 229 CA LEU A 15 11.269 -2.853 0.785 1.00 0.00 C ATOM 230 C LEU A 15 9.782 -2.951 0.995 1.00 0.00 C ATOM 231 O LEU A 15 9.303 -3.898 1.616 1.00 0.00 O ATOM 232 CB LEU A 15 11.747 -4.077 0.006 1.00 0.00 C ATOM 233 CG LEU A 15 13.206 -4.118 -0.464 1.00 0.00 C ATOM 234 CD1 LEU A 15 13.806 -2.750 -0.775 1.00 0.00 C ATOM 235 CD2 LEU A 15 14.085 -4.961 0.407 1.00 0.00 C ATOM 0 H LEU A 15 12.167 -3.614 2.482 1.00 0.00 H new ATOM 0 HA LEU A 15 11.510 -1.964 0.202 1.00 0.00 H new ATOM 0 HB2 LEU A 15 11.574 -4.955 0.628 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.112 -4.180 -0.874 1.00 0.00 H new ATOM 0 HG LEU A 15 13.165 -4.625 -1.428 1.00 0.00 H new ATOM 0 HD11 LEU A 15 14.839 -2.871 -1.100 1.00 0.00 H new ATOM 0 HD12 LEU A 15 13.230 -2.272 -1.567 1.00 0.00 H new ATOM 0 HD13 LEU A 15 13.778 -2.128 0.120 1.00 0.00 H new ATOM 0 HD21 LEU A 15 15.103 -4.947 0.019 1.00 0.00 H new ATOM 0 HD22 LEU A 15 14.078 -4.565 1.422 1.00 0.00 H new ATOM 0 HD23 LEU A 15 13.714 -5.986 0.415 1.00 0.00 H new ATOM 247 N GLU A 16 9.065 -1.983 0.522 1.00 0.00 N ATOM 248 CA GLU A 16 7.633 -2.000 0.618 1.00 0.00 C ATOM 249 C GLU A 16 7.076 -2.514 -0.681 1.00 0.00 C ATOM 250 O GLU A 16 7.445 -2.036 -1.749 1.00 0.00 O ATOM 251 CB GLU A 16 7.076 -0.608 0.870 1.00 0.00 C ATOM 252 CG GLU A 16 7.597 0.083 2.109 1.00 0.00 C ATOM 253 CD GLU A 16 6.967 1.437 2.292 1.00 0.00 C ATOM 254 OE1 GLU A 16 7.215 2.351 1.481 1.00 0.00 O ATOM 255 OE2 GLU A 16 6.204 1.631 3.264 1.00 0.00 O ATOM 0 H GLU A 16 9.449 -1.159 0.059 1.00 0.00 H new ATOM 0 HA GLU A 16 7.348 -2.640 1.453 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.299 0.017 0.005 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.991 -0.677 0.942 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.394 -0.535 2.984 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.679 0.191 2.039 1.00 0.00 H new ATOM 262 N LYS A 17 6.228 -3.478 -0.602 1.00 0.00 N ATOM 263 CA LYS A 17 5.600 -4.026 -1.770 1.00 0.00 C ATOM 264 C LYS A 17 4.162 -3.701 -1.680 1.00 0.00 C ATOM 265 O LYS A 17 3.457 -4.294 -0.891 1.00 0.00 O ATOM 266 CB LYS A 17 5.826 -5.535 -1.836 1.00 0.00 C ATOM 267 CG LYS A 17 7.291 -5.870 -1.855 1.00 0.00 C ATOM 268 CD LYS A 17 7.582 -7.347 -1.872 1.00 0.00 C ATOM 269 CE LYS A 17 9.083 -7.547 -1.883 1.00 0.00 C ATOM 270 NZ LYS A 17 9.493 -8.952 -1.730 1.00 0.00 N ATOM 0 H LYS A 17 5.944 -3.916 0.274 1.00 0.00 H new ATOM 0 HA LYS A 17 6.025 -3.603 -2.681 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.353 -6.013 -0.978 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.348 -5.937 -2.729 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.747 -5.410 -2.732 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.766 -5.427 -0.980 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.143 -7.828 -0.998 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.133 -7.810 -2.750 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.485 -7.160 -2.819 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.525 -6.959 -1.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.505 -8.995 -1.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.940 -9.394 -0.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.325 -9.462 -2.621 1.00 0.00 H new ATOM 284 N VAL A 18 3.742 -2.712 -2.417 1.00 0.00 N ATOM 285 CA VAL A 18 2.389 -2.236 -2.317 1.00 0.00 C ATOM 286 C VAL A 18 1.513 -3.076 -3.205 1.00 0.00 C ATOM 287 O VAL A 18 1.822 -3.298 -4.375 1.00 0.00 O ATOM 288 CB VAL A 18 2.249 -0.742 -2.731 1.00 0.00 C ATOM 289 CG1 VAL A 18 0.898 -0.166 -2.329 1.00 0.00 C ATOM 290 CG2 VAL A 18 3.405 0.109 -2.216 1.00 0.00 C ATOM 0 H VAL A 18 4.319 -2.217 -3.097 1.00 0.00 H new ATOM 0 HA VAL A 18 2.086 -2.315 -1.273 1.00 0.00 H new ATOM 0 HB VAL A 18 2.298 -0.713 -3.819 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.842 0.878 -2.636 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.102 -0.731 -2.815 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.781 -0.233 -1.247 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.263 1.143 -2.530 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.435 0.061 -1.127 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.344 -0.268 -2.622 1.00 0.00 H new ATOM 300 N TYR A 19 0.480 -3.580 -2.648 1.00 0.00 N ATOM 301 CA TYR A 19 -0.467 -4.344 -3.375 1.00 0.00 C ATOM 302 C TYR A 19 -1.713 -3.519 -3.500 1.00 0.00 C ATOM 303 O TYR A 19 -1.939 -2.630 -2.672 1.00 0.00 O ATOM 304 CB TYR A 19 -0.753 -5.655 -2.631 1.00 0.00 C ATOM 305 CG TYR A 19 0.450 -6.565 -2.547 1.00 0.00 C ATOM 306 CD1 TYR A 19 1.419 -6.412 -1.546 1.00 0.00 C ATOM 307 CD2 TYR A 19 0.629 -7.567 -3.482 1.00 0.00 C ATOM 308 CE1 TYR A 19 2.527 -7.245 -1.502 1.00 0.00 C ATOM 309 CE2 TYR A 19 1.723 -8.394 -3.437 1.00 0.00 C ATOM 310 CZ TYR A 19 2.668 -8.231 -2.451 1.00 0.00 C ATOM 311 OH TYR A 19 3.758 -9.068 -2.413 1.00 0.00 O ATOM 0 H TYR A 19 0.261 -3.474 -1.657 1.00 0.00 H new ATOM 0 HA TYR A 19 -0.089 -4.598 -4.365 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.098 -5.426 -1.623 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.564 -6.181 -3.134 1.00 0.00 H new ATOM 0 HD1 TYR A 19 1.302 -5.638 -0.802 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.106 -7.701 -4.262 1.00 0.00 H new ATOM 0 HE1 TYR A 19 3.272 -7.121 -0.730 1.00 0.00 H new ATOM 0 HE2 TYR A 19 1.842 -9.173 -4.176 1.00 0.00 H new ATOM 0 HH TYR A 19 3.705 -9.708 -3.153 1.00 0.00 H new ATOM 321 N LEU A 20 -2.535 -3.799 -4.514 1.00 0.00 N ATOM 322 CA LEU A 20 -3.811 -3.060 -4.702 1.00 0.00 C ATOM 323 C LEU A 20 -4.672 -3.269 -3.498 1.00 0.00 C ATOM 324 O LEU A 20 -5.416 -2.429 -3.110 1.00 0.00 O ATOM 325 CB LEU A 20 -4.620 -3.542 -5.929 1.00 0.00 C ATOM 326 CG LEU A 20 -4.063 -3.285 -7.325 1.00 0.00 C ATOM 327 CD1 LEU A 20 -2.835 -4.103 -7.584 1.00 0.00 C ATOM 328 CD2 LEU A 20 -5.120 -3.574 -8.367 1.00 0.00 C ATOM 0 H LEU A 20 -2.355 -4.519 -5.214 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.546 -2.014 -4.855 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.767 -4.617 -5.825 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.605 -3.079 -5.877 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.779 -2.234 -7.387 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.464 -3.895 -8.588 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.067 -3.848 -6.854 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.079 -5.162 -7.499 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.712 -3.387 -9.360 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.430 -4.616 -8.292 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.981 -2.927 -8.201 1.00 0.00 H new ATOM 340 N ASP A 21 -4.474 -4.405 -2.908 1.00 0.00 N ATOM 341 CA ASP A 21 -5.198 -4.907 -1.750 1.00 0.00 C ATOM 342 C ASP A 21 -5.192 -3.931 -0.586 1.00 0.00 C ATOM 343 O ASP A 21 -6.099 -3.920 0.236 1.00 0.00 O ATOM 344 CB ASP A 21 -4.508 -6.160 -1.293 1.00 0.00 C ATOM 345 CG ASP A 21 -5.342 -6.955 -0.361 1.00 0.00 C ATOM 346 OD1 ASP A 21 -6.430 -7.393 -0.769 1.00 0.00 O ATOM 347 OD2 ASP A 21 -4.926 -7.186 0.787 1.00 0.00 O ATOM 0 H ASP A 21 -3.761 -5.059 -3.231 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.234 -5.072 -2.046 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.255 -6.770 -2.160 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.570 -5.897 -0.804 1.00 0.00 H new ATOM 352 N GLY A 22 -4.158 -3.129 -0.516 1.00 0.00 N ATOM 353 CA GLY A 22 -3.996 -2.236 0.584 1.00 0.00 C ATOM 354 C GLY A 22 -2.965 -2.785 1.510 1.00 0.00 C ATOM 355 O GLY A 22 -2.484 -2.101 2.413 1.00 0.00 O ATOM 0 H GLY A 22 -3.417 -3.083 -1.216 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.695 -1.251 0.227 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.943 -2.109 1.108 1.00 0.00 H new ATOM 359 N ASP A 23 -2.651 -4.040 1.289 1.00 0.00 N ATOM 360 CA ASP A 23 -1.616 -4.730 2.002 1.00 0.00 C ATOM 361 C ASP A 23 -0.294 -4.414 1.349 1.00 0.00 C ATOM 362 O ASP A 23 -0.233 -4.088 0.156 1.00 0.00 O ATOM 363 CB ASP A 23 -1.871 -6.255 2.016 1.00 0.00 C ATOM 364 CG ASP A 23 -0.760 -7.059 2.687 1.00 0.00 C ATOM 365 OD1 ASP A 23 -0.391 -6.750 3.847 1.00 0.00 O ATOM 366 OD2 ASP A 23 -0.265 -8.031 2.090 1.00 0.00 O ATOM 0 H ASP A 23 -3.122 -4.617 0.592 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.605 -4.397 3.040 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -2.811 -6.452 2.531 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -1.990 -6.604 0.990 1.00 0.00 H new ATOM 371 N VAL A 24 0.724 -4.462 2.116 1.00 0.00 N ATOM 372 CA VAL A 24 2.041 -4.175 1.679 1.00 0.00 C ATOM 373 C VAL A 24 3.000 -5.035 2.441 1.00 0.00 C ATOM 374 O VAL A 24 3.001 -5.047 3.682 1.00 0.00 O ATOM 375 CB VAL A 24 2.373 -2.649 1.801 1.00 0.00 C ATOM 376 CG1 VAL A 24 1.880 -2.109 3.106 1.00 0.00 C ATOM 377 CG2 VAL A 24 3.861 -2.373 1.664 1.00 0.00 C ATOM 0 H VAL A 24 0.666 -4.711 3.103 1.00 0.00 H new ATOM 0 HA VAL A 24 2.132 -4.408 0.618 1.00 0.00 H new ATOM 0 HB VAL A 24 1.863 -2.146 0.980 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.119 -1.048 3.174 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.800 -2.243 3.170 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.361 -2.643 3.926 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.042 -1.302 1.755 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.403 -2.901 2.449 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.207 -2.718 0.689 1.00 0.00 H new ATOM 387 N SER A 25 3.753 -5.797 1.721 1.00 0.00 N ATOM 388 CA SER A 25 4.704 -6.656 2.317 1.00 0.00 C ATOM 389 C SER A 25 5.951 -5.852 2.595 1.00 0.00 C ATOM 390 O SER A 25 6.498 -5.202 1.698 1.00 0.00 O ATOM 391 CB SER A 25 4.984 -7.861 1.411 1.00 0.00 C ATOM 392 OG SER A 25 5.847 -8.810 2.029 1.00 0.00 O ATOM 0 H SER A 25 3.722 -5.837 0.702 1.00 0.00 H new ATOM 0 HA SER A 25 4.323 -7.058 3.256 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.042 -8.344 1.151 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.433 -7.516 0.480 1.00 0.00 H new ATOM 0 HG SER A 25 5.997 -9.562 1.418 1.00 0.00 H new ATOM 398 N ILE A 26 6.341 -5.837 3.833 1.00 0.00 N ATOM 399 CA ILE A 26 7.500 -5.121 4.253 1.00 0.00 C ATOM 400 C ILE A 26 8.645 -6.099 4.331 1.00 0.00 C ATOM 401 O ILE A 26 8.602 -7.063 5.098 1.00 0.00 O ATOM 402 CB ILE A 26 7.266 -4.446 5.629 1.00 0.00 C ATOM 403 CG1 ILE A 26 6.064 -3.486 5.567 1.00 0.00 C ATOM 404 CG2 ILE A 26 8.507 -3.715 6.105 1.00 0.00 C ATOM 405 CD1 ILE A 26 6.186 -2.391 4.531 1.00 0.00 C ATOM 0 H ILE A 26 5.857 -6.327 4.585 1.00 0.00 H new ATOM 0 HA ILE A 26 7.726 -4.329 3.539 1.00 0.00 H new ATOM 0 HB ILE A 26 7.045 -5.233 6.350 1.00 0.00 H new ATOM 0 HG12 ILE A 26 5.164 -4.065 5.361 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.931 -3.028 6.547 1.00 0.00 H new ATOM 0 HG21 ILE A 26 8.309 -3.253 7.072 1.00 0.00 H new ATOM 0 HG22 ILE A 26 9.331 -4.422 6.203 1.00 0.00 H new ATOM 0 HG23 ILE A 26 8.774 -2.944 5.383 1.00 0.00 H new ATOM 0 HD11 ILE A 26 5.295 -1.763 4.558 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.065 -1.783 4.746 1.00 0.00 H new ATOM 0 HD13 ILE A 26 6.286 -2.836 3.541 1.00 0.00 H new ATOM 417 N GLU A 27 9.623 -5.894 3.524 1.00 0.00 N ATOM 418 CA GLU A 27 10.744 -6.766 3.463 1.00 0.00 C ATOM 419 C GLU A 27 11.991 -6.057 3.945 1.00 0.00 C ATOM 420 O GLU A 27 12.333 -5.015 3.463 1.00 0.00 O ATOM 421 CB GLU A 27 10.853 -7.298 2.043 1.00 0.00 C ATOM 422 CG GLU A 27 12.140 -7.982 1.698 1.00 0.00 C ATOM 423 CD GLU A 27 11.962 -8.958 0.559 1.00 0.00 C ATOM 424 OE1 GLU A 27 11.910 -8.532 -0.608 1.00 0.00 O ATOM 425 OE2 GLU A 27 11.805 -10.164 0.808 1.00 0.00 O ATOM 0 H GLU A 27 9.670 -5.106 2.878 1.00 0.00 H new ATOM 0 HA GLU A 27 10.619 -7.619 4.130 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.035 -7.998 1.874 1.00 0.00 H new ATOM 0 HB3 GLU A 27 10.709 -6.467 1.352 1.00 0.00 H new ATOM 0 HG2 GLU A 27 12.887 -7.237 1.426 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.519 -8.509 2.574 1.00 0.00 H new ATOM 432 N HIS A 28 12.643 -6.627 4.902 1.00 0.00 N ATOM 433 CA HIS A 28 13.795 -6.000 5.512 1.00 0.00 C ATOM 434 C HIS A 28 15.034 -6.647 5.002 1.00 0.00 C ATOM 435 O HIS A 28 15.143 -7.872 5.027 1.00 0.00 O ATOM 436 CB HIS A 28 13.768 -6.135 7.045 1.00 0.00 C ATOM 437 CG HIS A 28 12.593 -5.496 7.718 1.00 0.00 C ATOM 438 ND1 HIS A 28 11.910 -6.063 8.772 1.00 0.00 N ATOM 439 CD2 HIS A 28 12.008 -4.300 7.494 1.00 0.00 C ATOM 440 CE1 HIS A 28 10.953 -5.216 9.148 1.00 0.00 C ATOM 441 NE2 HIS A 28 10.969 -4.125 8.402 1.00 0.00 N ATOM 0 H HIS A 28 12.403 -7.539 5.291 1.00 0.00 H new ATOM 0 HA HIS A 28 13.774 -4.941 5.256 1.00 0.00 H new ATOM 0 HB2 HIS A 28 13.782 -7.194 7.301 1.00 0.00 H new ATOM 0 HB3 HIS A 28 14.681 -5.697 7.449 1.00 0.00 H new ATOM 0 HD2 HIS A 28 12.300 -3.593 6.732 1.00 0.00 H new ATOM 0 HE1 HIS A 28 10.257 -5.397 9.954 1.00 0.00 H new ATOM 0 HE2 HIS A 28 10.347 -3.320 8.477 1.00 0.00 H new ATOM 449 N LYS A 29 15.938 -5.862 4.491 1.00 0.00 N ATOM 450 CA LYS A 29 17.200 -6.372 4.059 1.00 0.00 C ATOM 451 C LYS A 29 18.307 -5.503 4.514 1.00 0.00 C ATOM 452 O LYS A 29 18.171 -4.305 4.581 1.00 0.00 O ATOM 453 CB LYS A 29 17.298 -6.510 2.575 1.00 0.00 C ATOM 454 CG LYS A 29 16.381 -7.519 1.962 1.00 0.00 C ATOM 455 CD LYS A 29 16.994 -8.006 0.686 1.00 0.00 C ATOM 456 CE LYS A 29 17.172 -6.874 -0.332 1.00 0.00 C ATOM 457 NZ LYS A 29 17.723 -7.348 -1.614 1.00 0.00 N ATOM 0 H LYS A 29 15.819 -4.857 4.364 1.00 0.00 H new ATOM 0 HA LYS A 29 17.281 -7.363 4.505 1.00 0.00 H new ATOM 0 HB2 LYS A 29 17.096 -5.539 2.123 1.00 0.00 H new ATOM 0 HB3 LYS A 29 18.324 -6.774 2.319 1.00 0.00 H new ATOM 0 HG2 LYS A 29 16.222 -8.351 2.647 1.00 0.00 H new ATOM 0 HG3 LYS A 29 15.405 -7.075 1.768 1.00 0.00 H new ATOM 0 HD2 LYS A 29 17.963 -8.459 0.898 1.00 0.00 H new ATOM 0 HD3 LYS A 29 16.365 -8.786 0.256 1.00 0.00 H new ATOM 0 HE2 LYS A 29 16.209 -6.395 -0.509 1.00 0.00 H new ATOM 0 HE3 LYS A 29 17.834 -6.115 0.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 17.903 -6.535 -2.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 18.614 -7.857 -1.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 17.041 -7.988 -2.069 1.00 0.00 H new ATOM 471 N HIS A 30 19.379 -6.108 4.832 1.00 0.00 N ATOM 472 CA HIS A 30 20.551 -5.398 5.250 1.00 0.00 C ATOM 473 C HIS A 30 21.716 -5.770 4.366 1.00 0.00 C ATOM 474 O HIS A 30 22.205 -6.911 4.413 1.00 0.00 O ATOM 475 CB HIS A 30 20.849 -5.586 6.752 1.00 0.00 C ATOM 476 CG HIS A 30 21.045 -7.009 7.222 1.00 0.00 C ATOM 477 ND1 HIS A 30 22.262 -7.543 7.575 1.00 0.00 N ATOM 478 CD2 HIS A 30 20.143 -7.992 7.414 1.00 0.00 C ATOM 479 CE1 HIS A 30 22.070 -8.802 7.956 1.00 0.00 C ATOM 480 NE2 HIS A 30 20.795 -9.130 7.880 1.00 0.00 N ATOM 0 H HIS A 30 19.486 -7.122 4.815 1.00 0.00 H new ATOM 0 HA HIS A 30 20.369 -4.330 5.131 1.00 0.00 H new ATOM 0 HB2 HIS A 30 21.747 -5.018 6.997 1.00 0.00 H new ATOM 0 HB3 HIS A 30 20.029 -5.147 7.321 1.00 0.00 H new ATOM 0 HD2 HIS A 30 19.081 -7.910 7.234 1.00 0.00 H new ATOM 0 HE1 HIS A 30 22.854 -9.468 8.284 1.00 0.00 H new ATOM 0 HE2 HIS A 30 20.375 -10.029 8.114 1.00 0.00 H new ATOM 488 N GLU A 31 22.157 -4.869 3.545 1.00 0.00 N ATOM 489 CA GLU A 31 23.226 -5.199 2.651 1.00 0.00 C ATOM 490 C GLU A 31 24.323 -4.180 2.681 1.00 0.00 C ATOM 491 O GLU A 31 24.070 -2.997 2.849 1.00 0.00 O ATOM 492 CB GLU A 31 22.689 -5.391 1.243 1.00 0.00 C ATOM 493 CG GLU A 31 22.022 -4.184 0.621 1.00 0.00 C ATOM 494 CD GLU A 31 21.418 -4.550 -0.697 1.00 0.00 C ATOM 495 OE1 GLU A 31 20.296 -5.104 -0.709 1.00 0.00 O ATOM 496 OE2 GLU A 31 22.067 -4.356 -1.744 1.00 0.00 O ATOM 0 H GLU A 31 21.802 -3.915 3.473 1.00 0.00 H new ATOM 0 HA GLU A 31 23.666 -6.137 2.989 1.00 0.00 H new ATOM 0 HB2 GLU A 31 23.513 -5.699 0.599 1.00 0.00 H new ATOM 0 HB3 GLU A 31 21.972 -6.212 1.257 1.00 0.00 H new ATOM 0 HG2 GLU A 31 21.251 -3.801 1.289 1.00 0.00 H new ATOM 0 HG3 GLU A 31 22.752 -3.386 0.486 1.00 0.00 H new ATOM 503 N LYS A 32 25.541 -4.642 2.578 1.00 0.00 N ATOM 504 CA LYS A 32 26.650 -3.764 2.470 1.00 0.00 C ATOM 505 C LYS A 32 26.902 -3.459 1.035 1.00 0.00 C ATOM 506 O LYS A 32 26.939 -4.362 0.194 1.00 0.00 O ATOM 507 CB LYS A 32 27.916 -4.324 3.089 1.00 0.00 C ATOM 508 CG LYS A 32 27.934 -4.356 4.603 1.00 0.00 C ATOM 509 CD LYS A 32 29.323 -4.662 5.142 1.00 0.00 C ATOM 510 CE LYS A 32 29.896 -5.949 4.577 1.00 0.00 C ATOM 511 NZ LYS A 32 29.138 -7.147 5.004 1.00 0.00 N ATOM 0 H LYS A 32 25.780 -5.634 2.568 1.00 0.00 H new ATOM 0 HA LYS A 32 26.393 -2.861 3.023 1.00 0.00 H new ATOM 0 HB2 LYS A 32 28.065 -5.338 2.718 1.00 0.00 H new ATOM 0 HB3 LYS A 32 28.763 -3.731 2.744 1.00 0.00 H new ATOM 0 HG2 LYS A 32 27.596 -3.395 4.991 1.00 0.00 H new ATOM 0 HG3 LYS A 32 27.231 -5.109 4.960 1.00 0.00 H new ATOM 0 HD2 LYS A 32 29.992 -3.835 4.904 1.00 0.00 H new ATOM 0 HD3 LYS A 32 29.280 -4.734 6.229 1.00 0.00 H new ATOM 0 HE2 LYS A 32 29.898 -5.894 3.488 1.00 0.00 H new ATOM 0 HE3 LYS A 32 30.934 -6.049 4.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 29.571 -7.997 4.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 29.157 -7.218 6.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 28.153 -7.068 4.680 1.00 0.00 H new ATOM 525 N VAL A 33 27.041 -2.213 0.736 1.00 0.00 N ATOM 526 CA VAL A 33 27.323 -1.828 -0.614 1.00 0.00 C ATOM 527 C VAL A 33 28.670 -1.163 -0.633 1.00 0.00 C ATOM 528 O VAL A 33 29.060 -0.538 0.344 1.00 0.00 O ATOM 529 CB VAL A 33 26.216 -0.910 -1.233 1.00 0.00 C ATOM 530 CG1 VAL A 33 24.890 -1.164 -0.608 1.00 0.00 C ATOM 531 CG2 VAL A 33 26.522 0.568 -1.232 1.00 0.00 C ATOM 0 H VAL A 33 26.965 -1.443 1.401 1.00 0.00 H new ATOM 0 HA VAL A 33 27.332 -2.719 -1.241 1.00 0.00 H new ATOM 0 HB VAL A 33 26.192 -1.196 -2.284 1.00 0.00 H new ATOM 0 HG11 VAL A 33 24.144 -0.511 -1.060 1.00 0.00 H new ATOM 0 HG12 VAL A 33 24.606 -2.204 -0.767 1.00 0.00 H new ATOM 0 HG13 VAL A 33 24.948 -0.963 0.462 1.00 0.00 H new ATOM 0 HG21 VAL A 33 25.692 1.112 -1.682 1.00 0.00 H new ATOM 0 HG22 VAL A 33 26.666 0.909 -0.207 1.00 0.00 H new ATOM 0 HG23 VAL A 33 27.430 0.752 -1.806 1.00 0.00 H new ATOM 541 N PHE A 34 29.386 -1.330 -1.690 1.00 0.00 N ATOM 542 CA PHE A 34 30.708 -0.792 -1.796 1.00 0.00 C ATOM 543 C PHE A 34 30.672 0.538 -2.536 1.00 0.00 C ATOM 544 O PHE A 34 31.560 1.382 -2.385 1.00 0.00 O ATOM 545 CB PHE A 34 31.586 -1.804 -2.499 1.00 0.00 C ATOM 546 CG PHE A 34 31.568 -3.155 -1.826 1.00 0.00 C ATOM 547 CD1 PHE A 34 31.978 -3.294 -0.509 1.00 0.00 C ATOM 548 CD2 PHE A 34 31.107 -4.275 -2.497 1.00 0.00 C ATOM 549 CE1 PHE A 34 31.938 -4.524 0.120 1.00 0.00 C ATOM 550 CE2 PHE A 34 31.063 -5.505 -1.871 1.00 0.00 C ATOM 551 CZ PHE A 34 31.481 -5.629 -0.562 1.00 0.00 C ATOM 0 H PHE A 34 29.074 -1.846 -2.513 1.00 0.00 H new ATOM 0 HA PHE A 34 31.122 -0.599 -0.806 1.00 0.00 H new ATOM 0 HB2 PHE A 34 31.254 -1.912 -3.532 1.00 0.00 H new ATOM 0 HB3 PHE A 34 32.610 -1.432 -2.531 1.00 0.00 H new ATOM 0 HD1 PHE A 34 32.333 -2.430 0.033 1.00 0.00 H new ATOM 0 HD2 PHE A 34 30.778 -4.186 -3.522 1.00 0.00 H new ATOM 0 HE1 PHE A 34 32.265 -4.618 1.145 1.00 0.00 H new ATOM 0 HE2 PHE A 34 30.701 -6.370 -2.406 1.00 0.00 H new ATOM 0 HZ PHE A 34 31.450 -6.592 -0.073 1.00 0.00 H new ATOM 561 N SER A 35 29.658 0.709 -3.336 1.00 0.00 N ATOM 562 CA SER A 35 29.404 1.922 -4.023 1.00 0.00 C ATOM 563 C SER A 35 27.944 2.230 -3.864 1.00 0.00 C ATOM 564 O SER A 35 27.093 1.413 -4.237 1.00 0.00 O ATOM 565 CB SER A 35 29.738 1.779 -5.508 1.00 0.00 C ATOM 566 OG SER A 35 29.404 2.949 -6.226 1.00 0.00 O ATOM 0 H SER A 35 28.971 -0.020 -3.527 1.00 0.00 H new ATOM 0 HA SER A 35 30.022 2.722 -3.614 1.00 0.00 H new ATOM 0 HB2 SER A 35 30.801 1.570 -5.625 1.00 0.00 H new ATOM 0 HB3 SER A 35 29.198 0.928 -5.924 1.00 0.00 H new ATOM 0 HG SER A 35 29.630 2.828 -7.172 1.00 0.00 H new ATOM 572 N MET A 36 27.632 3.383 -3.311 1.00 0.00 N ATOM 573 CA MET A 36 26.247 3.789 -3.157 1.00 0.00 C ATOM 574 C MET A 36 25.642 3.997 -4.499 1.00 0.00 C ATOM 575 O MET A 36 24.487 3.702 -4.716 1.00 0.00 O ATOM 576 CB MET A 36 26.114 5.049 -2.316 1.00 0.00 C ATOM 577 CG MET A 36 26.247 4.808 -0.831 1.00 0.00 C ATOM 578 SD MET A 36 24.730 5.201 0.056 1.00 0.00 S ATOM 579 CE MET A 36 23.563 4.107 -0.754 1.00 0.00 C ATOM 0 H MET A 36 28.315 4.055 -2.961 1.00 0.00 H new ATOM 0 HA MET A 36 25.717 2.995 -2.631 1.00 0.00 H new ATOM 0 HB2 MET A 36 26.875 5.765 -2.628 1.00 0.00 H new ATOM 0 HB3 MET A 36 25.145 5.507 -2.515 1.00 0.00 H new ATOM 0 HG2 MET A 36 26.510 3.765 -0.655 1.00 0.00 H new ATOM 0 HG3 MET A 36 27.064 5.413 -0.437 1.00 0.00 H new ATOM 0 HE1 MET A 36 22.583 4.211 -0.288 1.00 0.00 H new ATOM 0 HE2 MET A 36 23.492 4.368 -1.810 1.00 0.00 H new ATOM 0 HE3 MET A 36 23.903 3.076 -0.657 1.00 0.00 H new ATOM 589 N ASP A 37 26.475 4.406 -5.414 1.00 0.00 N ATOM 590 CA ASP A 37 26.084 4.671 -6.786 1.00 0.00 C ATOM 591 C ASP A 37 25.624 3.385 -7.455 1.00 0.00 C ATOM 592 O ASP A 37 24.688 3.385 -8.268 1.00 0.00 O ATOM 593 CB ASP A 37 27.244 5.303 -7.552 1.00 0.00 C ATOM 594 CG ASP A 37 26.947 5.520 -9.014 1.00 0.00 C ATOM 595 OD1 ASP A 37 26.216 6.466 -9.354 1.00 0.00 O ATOM 596 OD2 ASP A 37 27.464 4.755 -9.852 1.00 0.00 O ATOM 0 H ASP A 37 27.465 4.570 -5.232 1.00 0.00 H new ATOM 0 HA ASP A 37 25.252 5.375 -6.791 1.00 0.00 H new ATOM 0 HB2 ASP A 37 27.494 6.260 -7.094 1.00 0.00 H new ATOM 0 HB3 ASP A 37 28.123 4.665 -7.458 1.00 0.00 H new ATOM 601 N ASP A 38 26.235 2.278 -7.057 1.00 0.00 N ATOM 602 CA ASP A 38 25.848 0.983 -7.586 1.00 0.00 C ATOM 603 C ASP A 38 24.547 0.558 -6.950 1.00 0.00 C ATOM 604 O ASP A 38 23.670 0.025 -7.621 1.00 0.00 O ATOM 605 CB ASP A 38 26.911 -0.082 -7.342 1.00 0.00 C ATOM 606 CG ASP A 38 26.520 -1.414 -7.965 1.00 0.00 C ATOM 607 OD1 ASP A 38 26.513 -1.532 -9.209 1.00 0.00 O ATOM 608 OD2 ASP A 38 26.207 -2.361 -7.220 1.00 0.00 O ATOM 0 H ASP A 38 26.994 2.252 -6.376 1.00 0.00 H new ATOM 0 HA ASP A 38 25.732 1.083 -8.665 1.00 0.00 H new ATOM 0 HB2 ASP A 38 27.862 0.250 -7.758 1.00 0.00 H new ATOM 0 HB3 ASP A 38 27.059 -0.210 -6.270 1.00 0.00 H new ATOM 613 N PHE A 39 24.412 0.844 -5.652 1.00 0.00 N ATOM 614 CA PHE A 39 23.216 0.552 -4.901 1.00 0.00 C ATOM 615 C PHE A 39 22.013 1.274 -5.515 1.00 0.00 C ATOM 616 O PHE A 39 20.948 0.682 -5.710 1.00 0.00 O ATOM 617 CB PHE A 39 23.406 0.975 -3.442 1.00 0.00 C ATOM 618 CG PHE A 39 22.185 0.811 -2.568 1.00 0.00 C ATOM 619 CD1 PHE A 39 21.950 -0.364 -1.865 1.00 0.00 C ATOM 620 CD2 PHE A 39 21.294 1.844 -2.436 1.00 0.00 C ATOM 621 CE1 PHE A 39 20.845 -0.491 -1.051 1.00 0.00 C ATOM 622 CE2 PHE A 39 20.191 1.724 -1.636 1.00 0.00 C ATOM 623 CZ PHE A 39 19.966 0.564 -0.946 1.00 0.00 C ATOM 0 H PHE A 39 25.145 1.289 -5.099 1.00 0.00 H new ATOM 0 HA PHE A 39 23.026 -0.521 -4.936 1.00 0.00 H new ATOM 0 HB2 PHE A 39 24.222 0.393 -3.014 1.00 0.00 H new ATOM 0 HB3 PHE A 39 23.713 2.020 -3.419 1.00 0.00 H new ATOM 0 HD1 PHE A 39 22.642 -1.188 -1.957 1.00 0.00 H new ATOM 0 HD2 PHE A 39 21.465 2.766 -2.971 1.00 0.00 H new ATOM 0 HE1 PHE A 39 20.671 -1.405 -0.503 1.00 0.00 H new ATOM 0 HE2 PHE A 39 19.496 2.546 -1.549 1.00 0.00 H new ATOM 0 HZ PHE A 39 19.094 0.475 -0.315 1.00 0.00 H new ATOM 633 N TRP A 40 22.203 2.553 -5.849 1.00 0.00 N ATOM 634 CA TRP A 40 21.148 3.361 -6.445 1.00 0.00 C ATOM 635 C TRP A 40 20.755 2.806 -7.780 1.00 0.00 C ATOM 636 O TRP A 40 19.608 2.764 -8.110 1.00 0.00 O ATOM 637 CB TRP A 40 21.545 4.843 -6.581 1.00 0.00 C ATOM 638 CG TRP A 40 21.883 5.501 -5.277 1.00 0.00 C ATOM 639 CD1 TRP A 40 22.997 6.232 -4.993 1.00 0.00 C ATOM 640 CD2 TRP A 40 21.113 5.464 -4.073 1.00 0.00 C ATOM 641 NE1 TRP A 40 22.987 6.620 -3.679 1.00 0.00 N ATOM 642 CE2 TRP A 40 21.831 6.172 -3.098 1.00 0.00 C ATOM 643 CE3 TRP A 40 19.885 4.895 -3.723 1.00 0.00 C ATOM 644 CZ2 TRP A 40 21.364 6.317 -1.802 1.00 0.00 C ATOM 645 CZ3 TRP A 40 19.426 5.045 -2.442 1.00 0.00 C ATOM 646 CH2 TRP A 40 20.161 5.744 -1.497 1.00 0.00 C ATOM 0 H TRP A 40 23.084 3.049 -5.714 1.00 0.00 H new ATOM 0 HA TRP A 40 20.294 3.317 -5.769 1.00 0.00 H new ATOM 0 HB2 TRP A 40 22.403 4.920 -7.249 1.00 0.00 H new ATOM 0 HB3 TRP A 40 20.726 5.387 -7.050 1.00 0.00 H new ATOM 0 HD1 TRP A 40 23.776 6.471 -5.702 1.00 0.00 H new ATOM 0 HE1 TRP A 40 23.719 7.154 -3.211 1.00 0.00 H new ATOM 0 HE3 TRP A 40 19.307 4.346 -4.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 21.929 6.862 -1.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 18.477 4.612 -2.163 1.00 0.00 H new ATOM 0 HH2 TRP A 40 19.773 5.838 -0.494 1.00 0.00 H new ATOM 657 N ALA A 41 21.715 2.335 -8.513 1.00 0.00 N ATOM 658 CA ALA A 41 21.447 1.753 -9.812 1.00 0.00 C ATOM 659 C ALA A 41 20.745 0.404 -9.665 1.00 0.00 C ATOM 660 O ALA A 41 19.896 0.043 -10.475 1.00 0.00 O ATOM 661 CB ALA A 41 22.727 1.614 -10.608 1.00 0.00 C ATOM 0 H ALA A 41 22.698 2.337 -8.242 1.00 0.00 H new ATOM 0 HA ALA A 41 20.781 2.422 -10.357 1.00 0.00 H new ATOM 0 HB1 ALA A 41 22.505 1.175 -11.581 1.00 0.00 H new ATOM 0 HB2 ALA A 41 23.177 2.597 -10.748 1.00 0.00 H new ATOM 0 HB3 ALA A 41 23.422 0.970 -10.070 1.00 0.00 H new ATOM 667 N ALA A 42 21.075 -0.300 -8.605 1.00 0.00 N ATOM 668 CA ALA A 42 20.509 -1.607 -8.328 1.00 0.00 C ATOM 669 C ALA A 42 19.041 -1.515 -7.916 1.00 0.00 C ATOM 670 O ALA A 42 18.251 -2.400 -8.226 1.00 0.00 O ATOM 671 CB ALA A 42 21.315 -2.307 -7.247 1.00 0.00 C ATOM 0 H ALA A 42 21.747 0.017 -7.906 1.00 0.00 H new ATOM 0 HA ALA A 42 20.556 -2.189 -9.248 1.00 0.00 H new ATOM 0 HB1 ALA A 42 20.882 -3.287 -7.047 1.00 0.00 H new ATOM 0 HB2 ALA A 42 22.345 -2.427 -7.582 1.00 0.00 H new ATOM 0 HB3 ALA A 42 21.297 -1.710 -6.336 1.00 0.00 H new ATOM 677 N TYR A 43 18.681 -0.470 -7.198 1.00 0.00 N ATOM 678 CA TYR A 43 17.303 -0.303 -6.759 1.00 0.00 C ATOM 679 C TYR A 43 16.653 0.921 -7.384 1.00 0.00 C ATOM 680 O TYR A 43 15.632 1.387 -6.901 1.00 0.00 O ATOM 681 CB TYR A 43 17.238 -0.226 -5.231 1.00 0.00 C ATOM 682 CG TYR A 43 17.657 -1.509 -4.533 1.00 0.00 C ATOM 683 CD1 TYR A 43 18.992 -1.792 -4.264 1.00 0.00 C ATOM 684 CD2 TYR A 43 16.709 -2.448 -4.173 1.00 0.00 C ATOM 685 CE1 TYR A 43 19.357 -2.980 -3.662 1.00 0.00 C ATOM 686 CE2 TYR A 43 17.061 -3.628 -3.566 1.00 0.00 C ATOM 687 CZ TYR A 43 18.382 -3.893 -3.315 1.00 0.00 C ATOM 688 OH TYR A 43 18.731 -5.085 -2.730 1.00 0.00 O ATOM 0 H TYR A 43 19.315 0.273 -6.906 1.00 0.00 H new ATOM 0 HA TYR A 43 16.742 -1.175 -7.095 1.00 0.00 H new ATOM 0 HB2 TYR A 43 17.878 0.588 -4.890 1.00 0.00 H new ATOM 0 HB3 TYR A 43 16.220 0.023 -4.932 1.00 0.00 H new ATOM 0 HD1 TYR A 43 19.753 -1.073 -4.529 1.00 0.00 H new ATOM 0 HD2 TYR A 43 15.667 -2.249 -4.374 1.00 0.00 H new ATOM 0 HE1 TYR A 43 20.397 -3.193 -3.464 1.00 0.00 H new ATOM 0 HE2 TYR A 43 16.301 -4.343 -3.288 1.00 0.00 H new ATOM 0 HH TYR A 43 19.578 -4.977 -2.248 1.00 0.00 H new ATOM 698 N ALA A 44 17.237 1.411 -8.479 1.00 0.00 N ATOM 699 CA ALA A 44 16.724 2.583 -9.223 1.00 0.00 C ATOM 700 C ALA A 44 15.243 2.468 -9.584 1.00 0.00 C ATOM 701 O ALA A 44 14.532 3.478 -9.656 1.00 0.00 O ATOM 702 CB ALA A 44 17.537 2.800 -10.490 1.00 0.00 C ATOM 0 H ALA A 44 18.083 1.010 -8.884 1.00 0.00 H new ATOM 0 HA ALA A 44 16.827 3.438 -8.555 1.00 0.00 H new ATOM 0 HB1 ALA A 44 17.149 3.665 -11.028 1.00 0.00 H new ATOM 0 HB2 ALA A 44 18.580 2.974 -10.227 1.00 0.00 H new ATOM 0 HB3 ALA A 44 17.465 1.916 -11.124 1.00 0.00 H new ATOM 708 N GLY A 45 14.790 1.257 -9.815 1.00 0.00 N ATOM 709 CA GLY A 45 13.422 1.043 -10.168 1.00 0.00 C ATOM 710 C GLY A 45 12.477 1.276 -9.011 1.00 0.00 C ATOM 711 O GLY A 45 11.361 1.762 -9.204 1.00 0.00 O ATOM 0 H GLY A 45 15.356 0.410 -9.763 1.00 0.00 H new ATOM 0 HA2 GLY A 45 13.155 1.708 -10.989 1.00 0.00 H new ATOM 0 HA3 GLY A 45 13.300 0.023 -10.531 1.00 0.00 H new ATOM 715 N TRP A 46 12.907 0.911 -7.814 1.00 0.00 N ATOM 716 CA TRP A 46 12.119 1.106 -6.622 1.00 0.00 C ATOM 717 C TRP A 46 11.930 2.599 -6.383 1.00 0.00 C ATOM 718 O TRP A 46 12.793 3.409 -6.737 1.00 0.00 O ATOM 719 CB TRP A 46 12.839 0.531 -5.407 1.00 0.00 C ATOM 720 CG TRP A 46 13.138 -0.928 -5.432 1.00 0.00 C ATOM 721 CD1 TRP A 46 14.070 -1.562 -6.183 1.00 0.00 C ATOM 722 CD2 TRP A 46 12.527 -1.924 -4.633 1.00 0.00 C ATOM 723 NE1 TRP A 46 14.049 -2.901 -5.927 1.00 0.00 N ATOM 724 CE2 TRP A 46 13.111 -3.154 -4.973 1.00 0.00 C ATOM 725 CE3 TRP A 46 11.531 -1.896 -3.674 1.00 0.00 C ATOM 726 CZ2 TRP A 46 12.724 -4.347 -4.379 1.00 0.00 C ATOM 727 CZ3 TRP A 46 11.144 -3.074 -3.097 1.00 0.00 C ATOM 728 CH2 TRP A 46 11.744 -4.283 -3.451 1.00 0.00 C ATOM 0 H TRP A 46 13.813 0.472 -7.648 1.00 0.00 H new ATOM 0 HA TRP A 46 11.161 0.605 -6.758 1.00 0.00 H new ATOM 0 HB2 TRP A 46 13.779 1.068 -5.283 1.00 0.00 H new ATOM 0 HB3 TRP A 46 12.235 0.739 -4.524 1.00 0.00 H new ATOM 0 HD1 TRP A 46 14.734 -1.077 -6.883 1.00 0.00 H new ATOM 0 HE1 TRP A 46 14.640 -3.600 -6.377 1.00 0.00 H new ATOM 0 HE3 TRP A 46 11.068 -0.963 -3.387 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 13.186 -5.286 -4.647 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 10.360 -3.068 -2.354 1.00 0.00 H new ATOM 0 HH2 TRP A 46 11.416 -5.193 -2.970 1.00 0.00 H new ATOM 739 N THR A 47 10.828 2.964 -5.806 1.00 0.00 N ATOM 740 CA THR A 47 10.576 4.311 -5.486 1.00 0.00 C ATOM 741 C THR A 47 11.300 4.633 -4.177 1.00 0.00 C ATOM 742 O THR A 47 11.022 4.009 -3.141 1.00 0.00 O ATOM 743 CB THR A 47 9.069 4.504 -5.339 1.00 0.00 C ATOM 744 OG1 THR A 47 8.423 4.068 -6.554 1.00 0.00 O ATOM 745 CG2 THR A 47 8.716 5.948 -5.058 1.00 0.00 C ATOM 0 H THR A 47 10.080 2.321 -5.547 1.00 0.00 H new ATOM 0 HA THR A 47 10.937 4.980 -6.267 1.00 0.00 H new ATOM 0 HB THR A 47 8.724 3.912 -4.492 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.454 4.186 -6.470 1.00 0.00 H new ATOM 0 HG21 THR A 47 7.635 6.046 -4.960 1.00 0.00 H new ATOM 0 HG22 THR A 47 9.195 6.266 -4.132 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.064 6.574 -5.880 1.00 0.00 H new ATOM 753 N LEU A 48 12.272 5.529 -4.253 1.00 0.00 N ATOM 754 CA LEU A 48 13.031 5.939 -3.096 1.00 0.00 C ATOM 755 C LEU A 48 12.140 6.799 -2.233 1.00 0.00 C ATOM 756 O LEU A 48 11.819 7.927 -2.591 1.00 0.00 O ATOM 757 CB LEU A 48 14.331 6.681 -3.546 1.00 0.00 C ATOM 758 CG LEU A 48 15.388 7.095 -2.471 1.00 0.00 C ATOM 759 CD1 LEU A 48 14.996 8.331 -1.685 1.00 0.00 C ATOM 760 CD2 LEU A 48 15.653 5.960 -1.514 1.00 0.00 C ATOM 0 H LEU A 48 12.552 5.988 -5.120 1.00 0.00 H new ATOM 0 HA LEU A 48 13.353 5.078 -2.510 1.00 0.00 H new ATOM 0 HB2 LEU A 48 14.836 6.045 -4.273 1.00 0.00 H new ATOM 0 HB3 LEU A 48 14.026 7.586 -4.071 1.00 0.00 H new ATOM 0 HG LEU A 48 16.294 7.337 -3.027 1.00 0.00 H new ATOM 0 HD11 LEU A 48 15.774 8.561 -0.957 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.876 9.173 -2.367 1.00 0.00 H new ATOM 0 HD13 LEU A 48 14.055 8.149 -1.165 1.00 0.00 H new ATOM 0 HD21 LEU A 48 16.392 6.272 -0.775 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.727 5.687 -1.008 1.00 0.00 H new ATOM 0 HD23 LEU A 48 16.032 5.100 -2.066 1.00 0.00 H new ATOM 772 N VAL A 49 11.717 6.248 -1.132 1.00 0.00 N ATOM 773 CA VAL A 49 10.825 6.930 -0.243 1.00 0.00 C ATOM 774 C VAL A 49 11.620 7.869 0.643 1.00 0.00 C ATOM 775 O VAL A 49 11.319 9.061 0.727 1.00 0.00 O ATOM 776 CB VAL A 49 9.989 5.934 0.601 1.00 0.00 C ATOM 777 CG1 VAL A 49 9.048 6.672 1.550 1.00 0.00 C ATOM 778 CG2 VAL A 49 9.187 5.017 -0.312 1.00 0.00 C ATOM 0 H VAL A 49 11.982 5.312 -0.826 1.00 0.00 H new ATOM 0 HA VAL A 49 10.117 7.511 -0.834 1.00 0.00 H new ATOM 0 HB VAL A 49 10.678 5.336 1.197 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.474 5.948 2.129 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.630 7.298 2.226 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.366 7.297 0.973 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.604 4.322 0.292 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.515 5.614 -0.928 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.867 4.457 -0.954 1.00 0.00 H new ATOM 788 N GLU A 50 12.659 7.348 1.266 1.00 0.00 N ATOM 789 CA GLU A 50 13.532 8.147 2.102 1.00 0.00 C ATOM 790 C GLU A 50 14.833 7.414 2.293 1.00 0.00 C ATOM 791 O GLU A 50 14.898 6.212 2.061 1.00 0.00 O ATOM 792 CB GLU A 50 12.903 8.458 3.477 1.00 0.00 C ATOM 793 CG GLU A 50 12.640 7.255 4.348 1.00 0.00 C ATOM 794 CD GLU A 50 12.102 7.623 5.707 1.00 0.00 C ATOM 795 OE1 GLU A 50 12.903 7.934 6.617 1.00 0.00 O ATOM 796 OE2 GLU A 50 10.874 7.601 5.898 1.00 0.00 O ATOM 0 H GLU A 50 12.921 6.364 1.207 1.00 0.00 H new ATOM 0 HA GLU A 50 13.698 9.100 1.600 1.00 0.00 H new ATOM 0 HB2 GLU A 50 13.562 9.139 4.015 1.00 0.00 H new ATOM 0 HB3 GLU A 50 11.962 8.984 3.318 1.00 0.00 H new ATOM 0 HG2 GLU A 50 11.929 6.598 3.847 1.00 0.00 H new ATOM 0 HG3 GLU A 50 13.565 6.691 4.469 1.00 0.00 H new ATOM 803 N GLN A 51 15.851 8.124 2.654 1.00 0.00 N ATOM 804 CA GLN A 51 17.122 7.546 2.961 1.00 0.00 C ATOM 805 C GLN A 51 17.831 8.301 4.070 1.00 0.00 C ATOM 806 O GLN A 51 17.736 9.535 4.179 1.00 0.00 O ATOM 807 CB GLN A 51 17.998 7.488 1.737 1.00 0.00 C ATOM 808 CG GLN A 51 18.223 8.821 1.063 1.00 0.00 C ATOM 809 CD GLN A 51 19.206 8.695 -0.046 1.00 0.00 C ATOM 810 OE1 GLN A 51 20.417 8.896 0.127 1.00 0.00 O ATOM 811 NE2 GLN A 51 18.721 8.299 -1.176 1.00 0.00 N ATOM 0 H GLN A 51 15.824 9.139 2.746 1.00 0.00 H new ATOM 0 HA GLN A 51 16.934 6.531 3.310 1.00 0.00 H new ATOM 0 HB2 GLN A 51 18.965 7.069 2.017 1.00 0.00 H new ATOM 0 HB3 GLN A 51 17.550 6.803 1.018 1.00 0.00 H new ATOM 0 HG2 GLN A 51 17.278 9.201 0.675 1.00 0.00 H new ATOM 0 HG3 GLN A 51 18.583 9.546 1.793 1.00 0.00 H new ATOM 0 HE21 GLN A 51 17.717 8.146 -1.275 1.00 0.00 H new ATOM 0 HE22 GLN A 51 19.342 8.140 -1.970 1.00 0.00 H new ATOM 820 N LYS A 52 18.493 7.550 4.894 1.00 0.00 N ATOM 821 CA LYS A 52 19.303 8.044 5.981 1.00 0.00 C ATOM 822 C LYS A 52 20.573 7.182 6.082 1.00 0.00 C ATOM 823 O LYS A 52 20.650 6.155 5.416 1.00 0.00 O ATOM 824 CB LYS A 52 18.471 8.108 7.289 1.00 0.00 C ATOM 825 CG LYS A 52 17.613 6.883 7.534 1.00 0.00 C ATOM 826 CD LYS A 52 16.540 7.061 8.635 1.00 0.00 C ATOM 827 CE LYS A 52 17.088 7.218 10.057 1.00 0.00 C ATOM 828 NZ LYS A 52 17.660 8.556 10.344 1.00 0.00 N ATOM 0 H LYS A 52 18.488 6.532 4.831 1.00 0.00 H new ATOM 0 HA LYS A 52 19.626 9.068 5.796 1.00 0.00 H new ATOM 0 HB2 LYS A 52 19.149 8.239 8.133 1.00 0.00 H new ATOM 0 HB3 LYS A 52 17.829 8.988 7.256 1.00 0.00 H new ATOM 0 HG2 LYS A 52 17.118 6.610 6.602 1.00 0.00 H new ATOM 0 HG3 LYS A 52 18.261 6.050 7.807 1.00 0.00 H new ATOM 0 HD2 LYS A 52 15.938 7.937 8.395 1.00 0.00 H new ATOM 0 HD3 LYS A 52 15.872 6.200 8.613 1.00 0.00 H new ATOM 0 HE2 LYS A 52 16.286 7.018 10.768 1.00 0.00 H new ATOM 0 HE3 LYS A 52 17.857 6.463 10.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 18.687 8.471 10.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 17.474 9.192 9.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 17.221 8.944 11.203 1.00 0.00 H new ATOM 842 N LYS A 53 21.526 7.591 6.921 1.00 0.00 N ATOM 843 CA LYS A 53 22.912 7.015 6.999 1.00 0.00 C ATOM 844 C LYS A 53 23.033 5.470 7.009 1.00 0.00 C ATOM 845 O LYS A 53 24.044 4.909 6.559 1.00 0.00 O ATOM 846 CB LYS A 53 23.690 7.647 8.176 1.00 0.00 C ATOM 847 CG LYS A 53 25.146 7.203 8.298 1.00 0.00 C ATOM 848 CD LYS A 53 25.936 7.557 7.047 1.00 0.00 C ATOM 849 CE LYS A 53 27.364 7.031 7.102 1.00 0.00 C ATOM 850 NZ LYS A 53 28.159 7.618 8.207 1.00 0.00 N ATOM 0 H LYS A 53 21.374 8.347 7.589 1.00 0.00 H new ATOM 0 HA LYS A 53 23.366 7.288 6.046 1.00 0.00 H new ATOM 0 HB2 LYS A 53 23.664 8.731 8.069 1.00 0.00 H new ATOM 0 HB3 LYS A 53 23.173 7.406 9.105 1.00 0.00 H new ATOM 0 HG2 LYS A 53 25.602 7.679 9.166 1.00 0.00 H new ATOM 0 HG3 LYS A 53 25.188 6.127 8.465 1.00 0.00 H new ATOM 0 HD2 LYS A 53 25.432 7.145 6.172 1.00 0.00 H new ATOM 0 HD3 LYS A 53 25.954 8.640 6.925 1.00 0.00 H new ATOM 0 HE2 LYS A 53 27.341 5.947 7.215 1.00 0.00 H new ATOM 0 HE3 LYS A 53 27.859 7.242 6.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 29.139 7.273 8.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 28.152 8.655 8.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 27.745 7.338 9.119 1.00 0.00 H new ATOM 864 N GLY A 54 22.066 4.815 7.502 1.00 0.00 N ATOM 865 CA GLY A 54 22.139 3.371 7.566 1.00 0.00 C ATOM 866 C GLY A 54 20.881 2.669 7.125 1.00 0.00 C ATOM 867 O GLY A 54 20.794 1.444 7.199 1.00 0.00 O ATOM 0 H GLY A 54 21.209 5.226 7.872 1.00 0.00 H new ATOM 0 HA2 GLY A 54 22.968 3.032 6.944 1.00 0.00 H new ATOM 0 HA3 GLY A 54 22.367 3.075 8.590 1.00 0.00 H new ATOM 871 N TYR A 55 19.924 3.404 6.646 1.00 0.00 N ATOM 872 CA TYR A 55 18.668 2.854 6.295 1.00 0.00 C ATOM 873 C TYR A 55 18.100 3.568 5.085 1.00 0.00 C ATOM 874 O TYR A 55 18.121 4.793 5.015 1.00 0.00 O ATOM 875 CB TYR A 55 17.762 2.983 7.521 1.00 0.00 C ATOM 876 CG TYR A 55 16.282 2.921 7.270 1.00 0.00 C ATOM 877 CD1 TYR A 55 15.616 4.074 6.962 1.00 0.00 C ATOM 878 CD2 TYR A 55 15.560 1.751 7.370 1.00 0.00 C ATOM 879 CE1 TYR A 55 14.274 4.100 6.758 1.00 0.00 C ATOM 880 CE2 TYR A 55 14.196 1.750 7.158 1.00 0.00 C ATOM 881 CZ TYR A 55 13.559 2.937 6.855 1.00 0.00 C ATOM 882 OH TYR A 55 12.203 2.965 6.672 1.00 0.00 O ATOM 0 H TYR A 55 20.002 4.409 6.490 1.00 0.00 H new ATOM 0 HA TYR A 55 18.757 1.804 6.016 1.00 0.00 H new ATOM 0 HB2 TYR A 55 18.023 2.191 8.223 1.00 0.00 H new ATOM 0 HB3 TYR A 55 17.985 3.930 8.012 1.00 0.00 H new ATOM 0 HD1 TYR A 55 16.175 4.994 6.878 1.00 0.00 H new ATOM 0 HD2 TYR A 55 16.065 0.829 7.616 1.00 0.00 H new ATOM 0 HE1 TYR A 55 13.776 5.029 6.522 1.00 0.00 H new ATOM 0 HE2 TYR A 55 13.633 0.831 7.228 1.00 0.00 H new ATOM 0 HH TYR A 55 11.843 2.058 6.756 1.00 0.00 H new ATOM 892 N VAL A 56 17.611 2.815 4.147 1.00 0.00 N ATOM 893 CA VAL A 56 16.981 3.360 2.982 1.00 0.00 C ATOM 894 C VAL A 56 15.599 2.716 2.822 1.00 0.00 C ATOM 895 O VAL A 56 15.442 1.508 2.972 1.00 0.00 O ATOM 896 CB VAL A 56 17.837 3.132 1.704 1.00 0.00 C ATOM 897 CG1 VAL A 56 17.102 3.625 0.494 1.00 0.00 C ATOM 898 CG2 VAL A 56 19.171 3.862 1.794 1.00 0.00 C ATOM 0 H VAL A 56 17.638 1.796 4.168 1.00 0.00 H new ATOM 0 HA VAL A 56 16.880 4.438 3.110 1.00 0.00 H new ATOM 0 HB VAL A 56 18.022 2.061 1.621 1.00 0.00 H new ATOM 0 HG11 VAL A 56 17.712 3.460 -0.394 1.00 0.00 H new ATOM 0 HG12 VAL A 56 16.161 3.084 0.394 1.00 0.00 H new ATOM 0 HG13 VAL A 56 16.898 4.690 0.601 1.00 0.00 H new ATOM 0 HG21 VAL A 56 19.746 3.683 0.885 1.00 0.00 H new ATOM 0 HG22 VAL A 56 18.994 4.932 1.906 1.00 0.00 H new ATOM 0 HG23 VAL A 56 19.729 3.495 2.655 1.00 0.00 H new ATOM 908 N LEU A 57 14.622 3.521 2.559 1.00 0.00 N ATOM 909 CA LEU A 57 13.262 3.073 2.402 1.00 0.00 C ATOM 910 C LEU A 57 12.859 3.126 0.928 1.00 0.00 C ATOM 911 O LEU A 57 12.859 4.205 0.312 1.00 0.00 O ATOM 912 CB LEU A 57 12.364 3.945 3.301 1.00 0.00 C ATOM 913 CG LEU A 57 10.832 3.786 3.231 1.00 0.00 C ATOM 914 CD1 LEU A 57 10.412 2.383 3.230 1.00 0.00 C ATOM 915 CD2 LEU A 57 10.163 4.557 4.350 1.00 0.00 C ATOM 0 H LEU A 57 14.741 4.528 2.444 1.00 0.00 H new ATOM 0 HA LEU A 57 13.150 2.034 2.712 1.00 0.00 H new ATOM 0 HB2 LEU A 57 12.664 3.765 4.333 1.00 0.00 H new ATOM 0 HB3 LEU A 57 12.594 4.987 3.079 1.00 0.00 H new ATOM 0 HG LEU A 57 10.510 4.206 2.278 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.325 2.329 3.180 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.841 1.875 2.366 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.757 1.899 4.144 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.082 4.432 4.283 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.513 4.180 5.311 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.412 5.615 4.263 1.00 0.00 H new ATOM 927 N PHE A 58 12.559 1.960 0.374 1.00 0.00 N ATOM 928 CA PHE A 58 12.155 1.802 -1.026 1.00 0.00 C ATOM 929 C PHE A 58 10.808 1.117 -1.134 1.00 0.00 C ATOM 930 O PHE A 58 10.434 0.332 -0.277 1.00 0.00 O ATOM 931 CB PHE A 58 13.149 0.929 -1.803 1.00 0.00 C ATOM 932 CG PHE A 58 14.386 1.591 -2.321 1.00 0.00 C ATOM 933 CD1 PHE A 58 14.309 2.477 -3.378 1.00 0.00 C ATOM 934 CD2 PHE A 58 15.617 1.301 -1.790 1.00 0.00 C ATOM 935 CE1 PHE A 58 15.440 3.072 -3.891 1.00 0.00 C ATOM 936 CE2 PHE A 58 16.754 1.887 -2.300 1.00 0.00 C ATOM 937 CZ PHE A 58 16.665 2.777 -3.350 1.00 0.00 C ATOM 0 H PHE A 58 12.588 1.080 0.888 1.00 0.00 H new ATOM 0 HA PHE A 58 12.117 2.809 -1.442 1.00 0.00 H new ATOM 0 HB2 PHE A 58 13.453 0.106 -1.156 1.00 0.00 H new ATOM 0 HB3 PHE A 58 12.622 0.490 -2.650 1.00 0.00 H new ATOM 0 HD1 PHE A 58 13.346 2.707 -3.809 1.00 0.00 H new ATOM 0 HD2 PHE A 58 15.695 0.608 -0.966 1.00 0.00 H new ATOM 0 HE1 PHE A 58 15.363 3.767 -4.714 1.00 0.00 H new ATOM 0 HE2 PHE A 58 17.719 1.649 -1.876 1.00 0.00 H new ATOM 0 HZ PHE A 58 17.557 3.240 -3.745 1.00 0.00 H new ATOM 947 N ARG A 59 10.089 1.404 -2.185 1.00 0.00 N ATOM 948 CA ARG A 59 8.873 0.686 -2.459 1.00 0.00 C ATOM 949 C ARG A 59 8.814 0.258 -3.902 1.00 0.00 C ATOM 950 O ARG A 59 9.284 0.960 -4.797 1.00 0.00 O ATOM 951 CB ARG A 59 7.612 1.458 -2.069 1.00 0.00 C ATOM 952 CG ARG A 59 7.419 2.771 -2.768 1.00 0.00 C ATOM 953 CD ARG A 59 6.129 3.415 -2.339 1.00 0.00 C ATOM 954 NE ARG A 59 5.967 3.415 -0.865 1.00 0.00 N ATOM 955 CZ ARG A 59 4.860 3.786 -0.201 1.00 0.00 C ATOM 956 NH1 ARG A 59 3.829 4.308 -0.845 1.00 0.00 N ATOM 957 NH2 ARG A 59 4.803 3.621 1.110 1.00 0.00 N ATOM 0 H ARG A 59 10.323 2.128 -2.864 1.00 0.00 H new ATOM 0 HA ARG A 59 8.896 -0.202 -1.827 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.745 0.829 -2.269 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.635 1.638 -0.994 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.255 3.434 -2.545 1.00 0.00 H new ATOM 0 HG3 ARG A 59 7.414 2.617 -3.847 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.097 4.441 -2.706 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.292 2.887 -2.795 1.00 0.00 H new ATOM 0 HE ARG A 59 6.764 3.107 -0.308 1.00 0.00 H new ATOM 0 HH11 ARG A 59 3.869 4.432 -1.857 1.00 0.00 H new ATOM 0 HH12 ARG A 59 2.994 4.586 -0.330 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.595 3.215 1.608 1.00 0.00 H new ATOM 0 HH22 ARG A 59 3.967 3.900 1.623 1.00 0.00 H new ATOM 971 N LYS A 60 8.287 -0.896 -4.103 1.00 0.00 N ATOM 972 CA LYS A 60 8.095 -1.493 -5.399 1.00 0.00 C ATOM 973 C LYS A 60 6.747 -2.135 -5.344 1.00 0.00 C ATOM 974 O LYS A 60 6.500 -2.982 -4.489 1.00 0.00 O ATOM 975 CB LYS A 60 9.150 -2.569 -5.633 1.00 0.00 C ATOM 976 CG LYS A 60 9.076 -3.312 -6.949 1.00 0.00 C ATOM 977 CD LYS A 60 9.661 -2.516 -8.102 1.00 0.00 C ATOM 978 CE LYS A 60 11.168 -2.332 -7.967 1.00 0.00 C ATOM 979 NZ LYS A 60 11.761 -1.896 -9.252 1.00 0.00 N ATOM 0 H LYS A 60 7.958 -1.487 -3.340 1.00 0.00 H new ATOM 0 HA LYS A 60 8.174 -0.757 -6.199 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.133 -2.105 -5.558 1.00 0.00 H new ATOM 0 HB3 LYS A 60 9.079 -3.298 -4.825 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.609 -4.258 -6.858 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.036 -3.552 -7.169 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.441 -3.024 -9.041 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.180 -1.539 -8.148 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.381 -1.594 -7.194 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.626 -3.268 -7.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 12.764 -1.663 -9.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 11.679 -2.663 -9.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.256 -1.056 -9.600 1.00 0.00 H new ATOM 993 N GLN A 61 5.881 -1.737 -6.187 1.00 0.00 N ATOM 994 CA GLN A 61 4.558 -2.245 -6.128 1.00 0.00 C ATOM 995 C GLN A 61 4.185 -3.019 -7.360 1.00 0.00 C ATOM 996 O GLN A 61 4.421 -2.584 -8.499 1.00 0.00 O ATOM 997 CB GLN A 61 3.588 -1.140 -5.771 1.00 0.00 C ATOM 998 CG GLN A 61 3.574 0.042 -6.689 1.00 0.00 C ATOM 999 CD GLN A 61 2.893 1.219 -6.052 1.00 0.00 C ATOM 1000 OE1 GLN A 61 1.679 1.398 -6.157 1.00 0.00 O ATOM 1001 NE2 GLN A 61 3.680 2.048 -5.408 1.00 0.00 N ATOM 0 H GLN A 61 6.056 -1.061 -6.930 1.00 0.00 H new ATOM 0 HA GLN A 61 4.502 -2.980 -5.325 1.00 0.00 H new ATOM 0 HB2 GLN A 61 2.583 -1.562 -5.738 1.00 0.00 H new ATOM 0 HB3 GLN A 61 3.820 -0.791 -4.765 1.00 0.00 H new ATOM 0 HG2 GLN A 61 4.596 0.311 -6.955 1.00 0.00 H new ATOM 0 HG3 GLN A 61 3.062 -0.220 -7.615 1.00 0.00 H new ATOM 0 HE21 GLN A 61 4.680 1.858 -5.347 1.00 0.00 H new ATOM 0 HE22 GLN A 61 3.291 2.882 -4.968 1.00 0.00 H new ATOM 1010 N MET A 62 3.654 -4.179 -7.126 1.00 0.00 N ATOM 1011 CA MET A 62 3.275 -5.090 -8.161 1.00 0.00 C ATOM 1012 C MET A 62 1.768 -5.137 -8.275 1.00 0.00 C ATOM 1013 O MET A 62 1.050 -4.998 -7.277 1.00 0.00 O ATOM 1014 CB MET A 62 3.860 -6.510 -7.918 1.00 0.00 C ATOM 1015 CG MET A 62 3.473 -7.182 -6.586 1.00 0.00 C ATOM 1016 SD MET A 62 4.231 -6.424 -5.109 1.00 0.00 S ATOM 1017 CE MET A 62 5.980 -6.768 -5.374 1.00 0.00 C ATOM 0 H MET A 62 3.467 -4.527 -6.186 1.00 0.00 H new ATOM 0 HA MET A 62 3.691 -4.731 -9.102 1.00 0.00 H new ATOM 0 HB2 MET A 62 3.541 -7.157 -8.735 1.00 0.00 H new ATOM 0 HB3 MET A 62 4.947 -6.447 -7.968 1.00 0.00 H new ATOM 0 HG2 MET A 62 2.389 -7.151 -6.479 1.00 0.00 H new ATOM 0 HG3 MET A 62 3.759 -8.233 -6.627 1.00 0.00 H new ATOM 0 HE1 MET A 62 6.547 -6.472 -4.491 1.00 0.00 H new ATOM 0 HE2 MET A 62 6.118 -7.834 -5.554 1.00 0.00 H new ATOM 0 HE3 MET A 62 6.335 -6.206 -6.238 1.00 0.00 H new ATOM 1027 N ASP A 63 1.289 -5.315 -9.476 1.00 0.00 N ATOM 1028 CA ASP A 63 -0.133 -5.336 -9.730 1.00 0.00 C ATOM 1029 C ASP A 63 -0.747 -6.690 -9.385 1.00 0.00 C ATOM 1030 O ASP A 63 -0.817 -7.594 -10.221 1.00 0.00 O ATOM 1031 CB ASP A 63 -0.440 -4.920 -11.179 1.00 0.00 C ATOM 1032 CG ASP A 63 -1.914 -4.971 -11.529 1.00 0.00 C ATOM 1033 OD1 ASP A 63 -2.700 -4.142 -11.022 1.00 0.00 O ATOM 1034 OD2 ASP A 63 -2.315 -5.834 -12.341 1.00 0.00 O ATOM 0 H ASP A 63 1.867 -5.449 -10.305 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.599 -4.602 -9.072 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.072 -3.907 -11.342 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.108 -5.572 -11.859 1.00 0.00 H new ATOM 1039 N ASP A 64 -1.080 -6.846 -8.117 1.00 0.00 N ATOM 1040 CA ASP A 64 -1.757 -8.026 -7.589 1.00 0.00 C ATOM 1041 C ASP A 64 -2.210 -7.689 -6.170 1.00 0.00 C ATOM 1042 O ASP A 64 -1.905 -6.587 -5.681 1.00 0.00 O ATOM 1043 CB ASP A 64 -0.823 -9.252 -7.580 1.00 0.00 C ATOM 1044 CG ASP A 64 -1.569 -10.542 -7.340 1.00 0.00 C ATOM 1045 OD1 ASP A 64 -2.087 -11.123 -8.310 1.00 0.00 O ATOM 1046 OD2 ASP A 64 -1.658 -10.994 -6.176 1.00 0.00 O ATOM 0 H ASP A 64 -0.885 -6.142 -7.405 1.00 0.00 H new ATOM 0 HA ASP A 64 -2.608 -8.283 -8.220 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.297 -9.312 -8.533 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.067 -9.123 -6.806 1.00 0.00 H new ATOM 1051 N ILE A 65 -2.939 -8.570 -5.513 1.00 0.00 N ATOM 1052 CA ILE A 65 -3.402 -8.281 -4.173 1.00 0.00 C ATOM 1053 C ILE A 65 -2.875 -9.267 -3.114 1.00 0.00 C ATOM 1054 O ILE A 65 -2.970 -8.961 -1.941 1.00 0.00 O ATOM 1055 CB ILE A 65 -4.943 -8.225 -4.070 1.00 0.00 C ATOM 1056 CG1 ILE A 65 -5.563 -9.561 -4.446 1.00 0.00 C ATOM 1057 CG2 ILE A 65 -5.507 -7.089 -4.905 1.00 0.00 C ATOM 1058 CD1 ILE A 65 -7.023 -9.658 -4.117 1.00 0.00 C ATOM 0 H ILE A 65 -3.220 -9.479 -5.880 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.991 -7.294 -3.962 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.205 -8.024 -3.031 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.428 -9.727 -5.515 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.029 -10.358 -3.930 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.593 -7.074 -4.813 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.100 -6.141 -4.552 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.233 -7.235 -5.950 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -7.398 -10.638 -4.413 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -7.164 -9.524 -3.044 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.569 -8.883 -4.654 1.00 0.00 H new ATOM 1070 N SER A 66 -2.263 -10.404 -3.555 1.00 0.00 N ATOM 1071 CA SER A 66 -1.802 -11.540 -2.680 1.00 0.00 C ATOM 1072 C SER A 66 -2.943 -12.594 -2.452 1.00 0.00 C ATOM 1073 O SER A 66 -4.125 -12.288 -2.666 1.00 0.00 O ATOM 1074 CB SER A 66 -1.197 -11.056 -1.332 1.00 0.00 C ATOM 1075 OG SER A 66 -0.122 -10.149 -1.538 1.00 0.00 O ATOM 0 H SER A 66 -2.070 -10.566 -4.543 1.00 0.00 H new ATOM 0 HA SER A 66 -0.995 -12.034 -3.221 1.00 0.00 H new ATOM 0 HB2 SER A 66 -1.972 -10.574 -0.737 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.845 -11.915 -0.761 1.00 0.00 H new ATOM 0 HG SER A 66 -0.355 -9.523 -2.255 1.00 0.00 H new ATOM 1081 N PRO A 67 -2.595 -13.872 -2.079 1.00 0.00 N ATOM 1082 CA PRO A 67 -3.590 -14.947 -1.869 1.00 0.00 C ATOM 1083 C PRO A 67 -4.527 -14.747 -0.648 1.00 0.00 C ATOM 1084 O PRO A 67 -5.751 -14.753 -0.798 1.00 0.00 O ATOM 1085 CB PRO A 67 -2.739 -16.216 -1.696 1.00 0.00 C ATOM 1086 CG PRO A 67 -1.388 -15.735 -1.289 1.00 0.00 C ATOM 1087 CD PRO A 67 -1.208 -14.381 -1.910 1.00 0.00 C ATOM 0 HA PRO A 67 -4.282 -14.980 -2.711 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -3.166 -16.875 -0.940 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -2.690 -16.786 -2.624 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.309 -15.677 -0.203 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -0.614 -16.423 -1.629 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -0.618 -13.725 -1.271 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.688 -14.447 -2.866 1.00 0.00 H new ATOM 1095 N LEU A 68 -3.945 -14.536 0.543 1.00 0.00 N ATOM 1096 CA LEU A 68 -4.691 -14.419 1.822 1.00 0.00 C ATOM 1097 C LEU A 68 -5.710 -13.263 1.740 1.00 0.00 C ATOM 1098 O LEU A 68 -6.739 -13.261 2.397 1.00 0.00 O ATOM 1099 CB LEU A 68 -3.655 -14.197 2.966 1.00 0.00 C ATOM 1100 CG LEU A 68 -4.029 -14.552 4.434 1.00 0.00 C ATOM 1101 CD1 LEU A 68 -5.082 -13.639 5.027 1.00 0.00 C ATOM 1102 CD2 LEU A 68 -4.451 -16.007 4.541 1.00 0.00 C ATOM 0 H LEU A 68 -2.936 -14.440 0.654 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.257 -15.328 2.024 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.763 -14.769 2.711 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.374 -13.144 2.949 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.128 -14.396 5.026 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.294 -13.945 6.052 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.717 -12.612 5.023 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.994 -13.702 4.434 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.709 -16.236 5.575 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.318 -16.182 3.904 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.630 -16.648 4.221 1.00 0.00 H new ATOM 1114 N SER A 69 -5.432 -12.340 0.884 1.00 0.00 N ATOM 1115 CA SER A 69 -6.250 -11.191 0.661 1.00 0.00 C ATOM 1116 C SER A 69 -7.647 -11.517 0.112 1.00 0.00 C ATOM 1117 O SER A 69 -8.556 -10.740 0.294 1.00 0.00 O ATOM 1118 CB SER A 69 -5.488 -10.249 -0.209 1.00 0.00 C ATOM 1119 OG SER A 69 -4.259 -9.885 0.437 1.00 0.00 O ATOM 0 H SER A 69 -4.598 -12.363 0.297 1.00 0.00 H new ATOM 0 HA SER A 69 -6.463 -10.720 1.620 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.280 -10.715 -1.172 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.084 -9.358 -0.408 1.00 0.00 H new ATOM 0 HG SER A 69 -4.313 -8.956 0.744 1.00 0.00 H new ATOM 1125 N LYS A 70 -7.833 -12.660 -0.533 1.00 0.00 N ATOM 1126 CA LYS A 70 -9.188 -13.019 -0.949 1.00 0.00 C ATOM 1127 C LYS A 70 -9.978 -13.575 0.226 1.00 0.00 C ATOM 1128 O LYS A 70 -11.196 -13.375 0.326 1.00 0.00 O ATOM 1129 CB LYS A 70 -9.255 -14.015 -2.121 1.00 0.00 C ATOM 1130 CG LYS A 70 -8.932 -13.455 -3.512 1.00 0.00 C ATOM 1131 CD LYS A 70 -7.444 -13.284 -3.785 1.00 0.00 C ATOM 1132 CE LYS A 70 -6.701 -14.620 -3.789 1.00 0.00 C ATOM 1133 NZ LYS A 70 -7.296 -15.611 -4.714 1.00 0.00 N ATOM 0 H LYS A 70 -7.102 -13.330 -0.773 1.00 0.00 H new ATOM 0 HA LYS A 70 -9.629 -12.089 -1.308 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.565 -14.833 -1.914 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.257 -14.442 -2.149 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -9.354 -14.119 -4.266 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -9.424 -12.489 -3.626 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -7.307 -12.791 -4.747 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -7.010 -12.631 -3.028 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.661 -14.450 -4.068 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.697 -15.030 -2.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.645 -16.414 -4.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -8.199 -15.951 -4.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.463 -15.166 -5.639 1.00 0.00 H new ATOM 1147 N VAL A 71 -9.268 -14.213 1.160 1.00 0.00 N ATOM 1148 CA VAL A 71 -9.921 -14.876 2.291 1.00 0.00 C ATOM 1149 C VAL A 71 -10.433 -13.828 3.268 1.00 0.00 C ATOM 1150 O VAL A 71 -11.461 -14.007 3.918 1.00 0.00 O ATOM 1151 CB VAL A 71 -8.966 -15.884 3.052 1.00 0.00 C ATOM 1152 CG1 VAL A 71 -8.044 -16.620 2.092 1.00 0.00 C ATOM 1153 CG2 VAL A 71 -8.181 -15.237 4.196 1.00 0.00 C ATOM 0 H VAL A 71 -8.251 -14.284 1.156 1.00 0.00 H new ATOM 0 HA VAL A 71 -10.746 -15.461 1.885 1.00 0.00 H new ATOM 0 HB VAL A 71 -9.624 -16.618 3.517 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -7.405 -17.302 2.652 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -8.641 -17.187 1.377 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -7.425 -15.899 1.557 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -7.548 -15.986 4.672 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -7.559 -14.434 3.802 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -8.877 -14.830 4.930 1.00 0.00 H new ATOM 1163 N ASN A 72 -9.713 -12.728 3.345 1.00 0.00 N ATOM 1164 CA ASN A 72 -10.053 -11.678 4.276 1.00 0.00 C ATOM 1165 C ASN A 72 -10.657 -10.500 3.536 1.00 0.00 C ATOM 1166 O ASN A 72 -11.043 -9.495 4.145 1.00 0.00 O ATOM 1167 CB ASN A 72 -8.802 -11.282 5.113 1.00 0.00 C ATOM 1168 CG ASN A 72 -7.725 -10.407 4.412 1.00 0.00 C ATOM 1169 OD1 ASN A 72 -7.999 -9.575 3.575 1.00 0.00 O ATOM 1170 ND2 ASN A 72 -6.486 -10.600 4.775 1.00 0.00 N ATOM 0 H ASN A 72 -8.889 -12.540 2.773 1.00 0.00 H new ATOM 0 HA ASN A 72 -10.808 -12.036 4.976 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -9.144 -10.750 6.000 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -8.322 -12.198 5.456 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -5.739 -10.048 4.353 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -6.265 -11.303 5.480 1.00 0.00 H new ATOM 1177 N GLY A 73 -10.691 -10.652 2.215 1.00 0.00 N ATOM 1178 CA GLY A 73 -11.207 -9.676 1.284 1.00 0.00 C ATOM 1179 C GLY A 73 -12.538 -9.063 1.640 1.00 0.00 C ATOM 1180 O GLY A 73 -13.584 -9.707 1.522 1.00 0.00 O ATOM 0 H GLY A 73 -10.345 -11.494 1.755 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -10.475 -8.875 1.185 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -11.297 -10.148 0.306 1.00 0.00 H new ATOM 1184 N TYR A 74 -12.453 -7.810 2.048 1.00 0.00 N ATOM 1185 CA TYR A 74 -13.533 -6.940 2.427 1.00 0.00 C ATOM 1186 C TYR A 74 -13.039 -5.534 2.277 1.00 0.00 C ATOM 1187 O TYR A 74 -11.908 -5.208 2.660 1.00 0.00 O ATOM 1188 CB TYR A 74 -13.962 -7.132 3.890 1.00 0.00 C ATOM 1189 CG TYR A 74 -14.824 -8.332 4.171 1.00 0.00 C ATOM 1190 CD1 TYR A 74 -16.194 -8.232 4.083 1.00 0.00 C ATOM 1191 CD2 TYR A 74 -14.279 -9.545 4.537 1.00 0.00 C ATOM 1192 CE1 TYR A 74 -17.006 -9.297 4.343 1.00 0.00 C ATOM 1193 CE2 TYR A 74 -15.073 -10.628 4.802 1.00 0.00 C ATOM 1194 CZ TYR A 74 -16.438 -10.507 4.707 1.00 0.00 C ATOM 1195 OH TYR A 74 -17.234 -11.609 4.962 1.00 0.00 O ATOM 0 H TYR A 74 -11.549 -7.344 2.126 1.00 0.00 H new ATOM 0 HA TYR A 74 -14.393 -7.164 1.796 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -13.065 -7.202 4.505 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -14.500 -6.240 4.211 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -16.637 -7.288 3.801 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -13.206 -9.642 4.616 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -18.079 -9.198 4.266 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -14.629 -11.571 5.084 1.00 0.00 H new ATOM 0 HH TYR A 74 -16.669 -12.372 5.202 1.00 0.00 H new ATOM 1205 N ILE A 75 -13.814 -4.740 1.680 1.00 0.00 N ATOM 1206 CA ILE A 75 -13.525 -3.348 1.554 1.00 0.00 C ATOM 1207 C ILE A 75 -14.463 -2.649 2.470 1.00 0.00 C ATOM 1208 O ILE A 75 -15.672 -2.915 2.428 1.00 0.00 O ATOM 1209 CB ILE A 75 -13.711 -2.891 0.104 1.00 0.00 C ATOM 1210 CG1 ILE A 75 -12.628 -3.506 -0.752 1.00 0.00 C ATOM 1211 CG2 ILE A 75 -13.707 -1.360 -0.029 1.00 0.00 C ATOM 1212 CD1 ILE A 75 -12.862 -3.383 -2.237 1.00 0.00 C ATOM 0 H ILE A 75 -14.693 -5.025 1.248 1.00 0.00 H new ATOM 0 HA ILE A 75 -12.491 -3.124 1.816 1.00 0.00 H new ATOM 0 HB ILE A 75 -14.689 -3.229 -0.238 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -11.676 -3.035 -0.506 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -12.536 -4.562 -0.497 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -13.842 -1.085 -1.075 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -14.520 -0.941 0.564 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -12.756 -0.966 0.330 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -12.037 -3.851 -2.775 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -13.796 -3.880 -2.501 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -12.922 -2.329 -2.510 1.00 0.00 H new ATOM 1224 N GLY A 76 -13.930 -1.834 3.325 1.00 0.00 N ATOM 1225 CA GLY A 76 -14.754 -1.196 4.288 1.00 0.00 C ATOM 1226 C GLY A 76 -14.521 0.272 4.403 1.00 0.00 C ATOM 1227 O GLY A 76 -13.384 0.765 4.368 1.00 0.00 O ATOM 0 H GLY A 76 -12.938 -1.600 3.372 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -15.799 -1.369 4.030 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -14.585 -1.658 5.260 1.00 0.00 H new ATOM 1231 N VAL A 77 -15.565 0.986 4.533 1.00 0.00 N ATOM 1232 CA VAL A 77 -15.417 2.365 4.736 1.00 0.00 C ATOM 1233 C VAL A 77 -15.798 2.728 6.109 1.00 0.00 C ATOM 1234 O VAL A 77 -16.630 2.064 6.747 1.00 0.00 O ATOM 1235 CB VAL A 77 -16.153 3.277 3.730 1.00 0.00 C ATOM 1236 CG1 VAL A 77 -15.711 3.021 2.310 1.00 0.00 C ATOM 1237 CG2 VAL A 77 -17.646 3.209 3.896 1.00 0.00 C ATOM 0 H VAL A 77 -16.525 0.642 4.503 1.00 0.00 H new ATOM 0 HA VAL A 77 -14.357 2.550 4.563 1.00 0.00 H new ATOM 0 HB VAL A 77 -15.868 4.304 3.959 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -16.253 3.683 1.635 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -14.641 3.210 2.222 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -15.919 1.984 2.046 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -18.123 3.866 3.169 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -17.984 2.185 3.737 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -17.915 3.527 4.903 1.00 0.00 H new ATOM 1247 N SER A 78 -15.178 3.731 6.581 1.00 0.00 N ATOM 1248 CA SER A 78 -15.531 4.285 7.830 1.00 0.00 C ATOM 1249 C SER A 78 -16.556 5.378 7.521 1.00 0.00 C ATOM 1250 O SER A 78 -16.706 5.729 6.346 1.00 0.00 O ATOM 1251 CB SER A 78 -14.284 4.833 8.498 1.00 0.00 C ATOM 1252 OG SER A 78 -13.256 3.842 8.524 1.00 0.00 O ATOM 0 H SER A 78 -14.403 4.199 6.111 1.00 0.00 H new ATOM 0 HA SER A 78 -15.959 3.557 8.519 1.00 0.00 H new ATOM 0 HB2 SER A 78 -13.934 5.715 7.961 1.00 0.00 H new ATOM 0 HB3 SER A 78 -14.518 5.150 9.514 1.00 0.00 H new ATOM 0 HG SER A 78 -12.457 4.210 8.956 1.00 0.00 H new ATOM 1258 N ASP A 79 -17.215 5.929 8.537 1.00 0.00 N ATOM 1259 CA ASP A 79 -18.311 6.912 8.394 1.00 0.00 C ATOM 1260 C ASP A 79 -17.980 8.097 7.486 1.00 0.00 C ATOM 1261 O ASP A 79 -18.862 8.671 6.855 1.00 0.00 O ATOM 1262 CB ASP A 79 -18.740 7.417 9.766 1.00 0.00 C ATOM 1263 CG ASP A 79 -19.527 6.402 10.562 1.00 0.00 C ATOM 1264 OD1 ASP A 79 -18.916 5.523 11.213 1.00 0.00 O ATOM 1265 OD2 ASP A 79 -20.770 6.473 10.578 1.00 0.00 O ATOM 0 H ASP A 79 -17.005 5.706 9.510 1.00 0.00 H new ATOM 0 HA ASP A 79 -19.127 6.378 7.907 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -17.854 7.704 10.332 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -19.343 8.316 9.641 1.00 0.00 H new ATOM 1270 N ASN A 80 -16.717 8.426 7.387 1.00 0.00 N ATOM 1271 CA ASN A 80 -16.272 9.535 6.548 1.00 0.00 C ATOM 1272 C ASN A 80 -15.908 9.063 5.153 1.00 0.00 C ATOM 1273 O ASN A 80 -15.216 9.756 4.428 1.00 0.00 O ATOM 1274 CB ASN A 80 -15.069 10.245 7.169 1.00 0.00 C ATOM 1275 CG ASN A 80 -15.410 11.051 8.394 1.00 0.00 C ATOM 1276 OD1 ASN A 80 -15.762 12.222 8.298 1.00 0.00 O ATOM 1277 ND2 ASN A 80 -15.272 10.467 9.542 1.00 0.00 N ATOM 0 H ASN A 80 -15.964 7.943 7.878 1.00 0.00 H new ATOM 0 HA ASN A 80 -17.105 10.234 6.477 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -14.315 9.503 7.431 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -14.622 10.903 6.424 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -15.458 10.983 10.402 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -14.978 9.491 9.586 1.00 0.00 H new ATOM 1284 N GLY A 81 -16.366 7.880 4.795 1.00 0.00 N ATOM 1285 CA GLY A 81 -16.099 7.314 3.504 1.00 0.00 C ATOM 1286 C GLY A 81 -14.665 6.939 3.373 1.00 0.00 C ATOM 1287 O GLY A 81 -14.062 7.139 2.343 1.00 0.00 O ATOM 0 H GLY A 81 -16.935 7.288 5.400 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -16.724 6.434 3.352 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -16.364 8.031 2.727 1.00 0.00 H new ATOM 1291 N VAL A 82 -14.106 6.431 4.441 1.00 0.00 N ATOM 1292 CA VAL A 82 -12.712 6.054 4.430 1.00 0.00 C ATOM 1293 C VAL A 82 -12.572 4.716 3.696 1.00 0.00 C ATOM 1294 O VAL A 82 -13.029 3.720 4.169 1.00 0.00 O ATOM 1295 CB VAL A 82 -12.117 5.974 5.859 1.00 0.00 C ATOM 1296 CG1 VAL A 82 -10.609 5.840 5.801 1.00 0.00 C ATOM 1297 CG2 VAL A 82 -12.499 7.199 6.673 1.00 0.00 C ATOM 0 H VAL A 82 -14.589 6.269 5.325 1.00 0.00 H new ATOM 0 HA VAL A 82 -12.144 6.824 3.907 1.00 0.00 H new ATOM 0 HB VAL A 82 -12.530 5.091 6.346 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -10.209 5.785 6.814 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -10.345 4.933 5.257 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -10.186 6.705 5.290 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -12.070 7.120 7.672 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -12.117 8.095 6.184 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -13.585 7.262 6.748 1.00 0.00 H new ATOM 1307 N ILE A 83 -11.823 4.748 2.628 1.00 0.00 N ATOM 1308 CA ILE A 83 -11.688 3.709 1.554 1.00 0.00 C ATOM 1309 C ILE A 83 -10.753 2.545 1.942 1.00 0.00 C ATOM 1310 O ILE A 83 -9.927 2.088 1.166 1.00 0.00 O ATOM 1311 CB ILE A 83 -11.309 4.370 0.168 1.00 0.00 C ATOM 1312 CG1 ILE A 83 -12.303 5.489 -0.131 1.00 0.00 C ATOM 1313 CG2 ILE A 83 -11.352 3.358 -0.991 1.00 0.00 C ATOM 1314 CD1 ILE A 83 -13.744 5.028 -0.100 1.00 0.00 C ATOM 0 H ILE A 83 -11.228 5.554 2.438 1.00 0.00 H new ATOM 0 HA ILE A 83 -12.668 3.247 1.436 1.00 0.00 H new ATOM 0 HB ILE A 83 -10.290 4.749 0.248 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -12.168 6.290 0.596 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -12.083 5.909 -1.113 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -11.084 3.859 -1.921 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -10.645 2.552 -0.796 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -12.357 2.946 -1.077 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -14.400 5.870 -0.320 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -13.892 4.247 -0.846 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -13.979 4.634 0.889 1.00 0.00 H new ATOM 1326 N SER A 84 -10.820 2.139 3.158 1.00 0.00 N ATOM 1327 CA SER A 84 -9.804 1.246 3.671 1.00 0.00 C ATOM 1328 C SER A 84 -10.208 -0.224 3.493 1.00 0.00 C ATOM 1329 O SER A 84 -11.373 -0.581 3.490 1.00 0.00 O ATOM 1330 CB SER A 84 -9.663 1.536 5.147 1.00 0.00 C ATOM 1331 OG SER A 84 -9.606 2.932 5.341 1.00 0.00 O ATOM 0 H SER A 84 -11.551 2.397 3.821 1.00 0.00 H new ATOM 0 HA SER A 84 -8.871 1.405 3.130 1.00 0.00 H new ATOM 0 HB2 SER A 84 -10.506 1.115 5.695 1.00 0.00 H new ATOM 0 HB3 SER A 84 -8.761 1.065 5.538 1.00 0.00 H new ATOM 0 HG SER A 84 -9.516 3.126 6.297 1.00 0.00 H new ATOM 1337 N THR A 85 -9.260 -1.063 3.260 1.00 0.00 N ATOM 1338 CA THR A 85 -9.561 -2.442 3.226 1.00 0.00 C ATOM 1339 C THR A 85 -9.380 -2.996 4.615 1.00 0.00 C ATOM 1340 O THR A 85 -8.547 -2.484 5.406 1.00 0.00 O ATOM 1341 CB THR A 85 -8.732 -3.213 2.182 1.00 0.00 C ATOM 1342 OG1 THR A 85 -7.344 -3.074 2.436 1.00 0.00 O ATOM 1343 CG2 THR A 85 -9.038 -2.696 0.794 1.00 0.00 C ATOM 0 H THR A 85 -8.284 -0.819 3.093 1.00 0.00 H new ATOM 0 HA THR A 85 -10.596 -2.571 2.908 1.00 0.00 H new ATOM 0 HB THR A 85 -8.999 -4.268 2.250 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.837 -3.572 1.761 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.447 -3.247 0.062 1.00 0.00 H new ATOM 0 HG22 THR A 85 -10.098 -2.832 0.581 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.789 -1.636 0.737 1.00 0.00 H new ATOM 1351 N PHE A 86 -10.170 -3.966 4.956 1.00 0.00 N ATOM 1352 CA PHE A 86 -10.123 -4.522 6.267 1.00 0.00 C ATOM 1353 C PHE A 86 -9.893 -5.992 6.216 1.00 0.00 C ATOM 1354 O PHE A 86 -10.046 -6.624 5.152 1.00 0.00 O ATOM 1355 CB PHE A 86 -11.402 -4.238 7.039 1.00 0.00 C ATOM 1356 CG PHE A 86 -11.549 -2.826 7.505 1.00 0.00 C ATOM 1357 CD1 PHE A 86 -11.860 -1.818 6.624 1.00 0.00 C ATOM 1358 CD2 PHE A 86 -11.412 -2.526 8.839 1.00 0.00 C ATOM 1359 CE1 PHE A 86 -12.033 -0.521 7.066 1.00 0.00 C ATOM 1360 CE2 PHE A 86 -11.574 -1.235 9.296 1.00 0.00 C ATOM 1361 CZ PHE A 86 -11.889 -0.228 8.407 1.00 0.00 C ATOM 0 H PHE A 86 -10.860 -4.391 4.336 1.00 0.00 H new ATOM 0 HA PHE A 86 -9.290 -4.047 6.784 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -12.255 -4.489 6.408 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -11.442 -4.898 7.905 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -11.970 -2.043 5.573 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -11.174 -3.313 9.540 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -12.280 0.262 6.364 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -11.455 -1.013 10.346 1.00 0.00 H new ATOM 0 HZ PHE A 86 -12.022 0.784 8.759 1.00 0.00 H new ATOM 1371 N HIS A 87 -9.482 -6.526 7.336 1.00 0.00 N ATOM 1372 CA HIS A 87 -9.340 -7.934 7.487 1.00 0.00 C ATOM 1373 C HIS A 87 -10.659 -8.423 8.024 1.00 0.00 C ATOM 1374 O HIS A 87 -10.962 -8.254 9.214 1.00 0.00 O ATOM 1375 CB HIS A 87 -8.200 -8.257 8.473 1.00 0.00 C ATOM 1376 CG HIS A 87 -7.952 -9.729 8.700 1.00 0.00 C ATOM 1377 ND1 HIS A 87 -8.517 -10.460 9.722 1.00 0.00 N ATOM 1378 CD2 HIS A 87 -7.184 -10.596 8.009 1.00 0.00 C ATOM 1379 CE1 HIS A 87 -8.091 -11.714 9.623 1.00 0.00 C ATOM 1380 NE2 HIS A 87 -7.274 -11.857 8.589 1.00 0.00 N ATOM 0 H HIS A 87 -9.238 -5.987 8.167 1.00 0.00 H new ATOM 0 HA HIS A 87 -9.089 -8.417 6.542 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -7.281 -7.801 8.104 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -8.425 -7.790 9.432 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -6.591 -10.349 7.140 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -8.373 -12.511 10.295 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -6.809 -12.712 8.283 1.00 0.00 H new ATOM 1388 N GLY A 88 -11.447 -8.976 7.164 1.00 0.00 N ATOM 1389 CA GLY A 88 -12.743 -9.418 7.557 1.00 0.00 C ATOM 1390 C GLY A 88 -13.721 -8.256 7.595 1.00 0.00 C ATOM 1391 O GLY A 88 -13.442 -7.190 7.032 1.00 0.00 O ATOM 0 H GLY A 88 -11.216 -9.133 6.183 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -13.100 -10.177 6.861 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -12.690 -9.887 8.540 1.00 0.00 H new ATOM 1395 N ARG A 89 -14.866 -8.481 8.217 1.00 0.00 N ATOM 1396 CA ARG A 89 -15.907 -7.466 8.391 1.00 0.00 C ATOM 1397 C ARG A 89 -15.342 -6.177 8.984 1.00 0.00 C ATOM 1398 O ARG A 89 -14.728 -6.203 10.046 1.00 0.00 O ATOM 1399 CB ARG A 89 -17.015 -7.995 9.300 1.00 0.00 C ATOM 1400 CG ARG A 89 -17.876 -9.080 8.685 1.00 0.00 C ATOM 1401 CD ARG A 89 -18.699 -8.529 7.538 1.00 0.00 C ATOM 1402 NE ARG A 89 -19.520 -9.549 6.911 1.00 0.00 N ATOM 1403 CZ ARG A 89 -20.199 -9.408 5.767 1.00 0.00 C ATOM 1404 NH1 ARG A 89 -20.171 -8.255 5.102 1.00 0.00 N ATOM 1405 NH2 ARG A 89 -20.900 -10.426 5.293 1.00 0.00 N ATOM 0 H ARG A 89 -15.108 -9.385 8.623 1.00 0.00 H new ATOM 0 HA ARG A 89 -16.313 -7.243 7.404 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -16.563 -8.383 10.213 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -17.656 -7.163 9.591 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -17.244 -9.893 8.327 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -18.537 -9.500 9.444 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -19.338 -7.726 7.905 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -18.034 -8.092 6.793 1.00 0.00 H new ATOM 0 HE ARG A 89 -19.585 -10.451 7.383 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -19.629 -7.470 5.464 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -20.692 -8.156 4.230 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -20.920 -11.311 5.799 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -21.420 -10.325 4.421 1.00 0.00 H new ATOM 1419 N PRO A 90 -15.532 -5.045 8.293 1.00 0.00 N ATOM 1420 CA PRO A 90 -15.035 -3.756 8.741 1.00 0.00 C ATOM 1421 C PRO A 90 -15.860 -3.192 9.888 1.00 0.00 C ATOM 1422 O PRO A 90 -16.978 -2.689 9.698 1.00 0.00 O ATOM 1423 CB PRO A 90 -15.130 -2.867 7.506 1.00 0.00 C ATOM 1424 CG PRO A 90 -16.172 -3.491 6.647 1.00 0.00 C ATOM 1425 CD PRO A 90 -16.239 -4.949 7.013 1.00 0.00 C ATOM 0 HA PRO A 90 -14.020 -3.827 9.132 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -15.403 -1.847 7.777 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -14.173 -2.813 6.986 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -17.138 -3.011 6.804 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -15.924 -3.370 5.593 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -17.271 -5.287 7.105 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -15.766 -5.570 6.252 1.00 0.00 H new ATOM 1433 N GLU A 91 -15.344 -3.347 11.063 1.00 0.00 N ATOM 1434 CA GLU A 91 -15.969 -2.898 12.257 1.00 0.00 C ATOM 1435 C GLU A 91 -14.871 -2.348 13.169 1.00 0.00 C ATOM 1436 O GLU A 91 -13.707 -2.522 12.856 1.00 0.00 O ATOM 1437 CB GLU A 91 -16.761 -4.070 12.885 1.00 0.00 C ATOM 1438 CG GLU A 91 -15.973 -5.328 13.179 1.00 0.00 C ATOM 1439 CD GLU A 91 -16.860 -6.401 13.754 1.00 0.00 C ATOM 1440 OE1 GLU A 91 -17.665 -6.988 13.004 1.00 0.00 O ATOM 1441 OE2 GLU A 91 -16.789 -6.673 14.974 1.00 0.00 O ATOM 0 H GLU A 91 -14.446 -3.805 11.220 1.00 0.00 H new ATOM 0 HA GLU A 91 -16.690 -2.101 12.077 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -17.209 -3.721 13.816 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -17.580 -4.328 12.214 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -15.505 -5.690 12.263 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -15.169 -5.102 13.880 1.00 0.00 H new ATOM 1448 N PRO A 92 -15.183 -1.670 14.286 1.00 0.00 N ATOM 1449 CA PRO A 92 -14.140 -1.149 15.169 1.00 0.00 C ATOM 1450 C PRO A 92 -13.400 -2.267 15.887 1.00 0.00 C ATOM 1451 O PRO A 92 -12.279 -2.087 16.362 1.00 0.00 O ATOM 1452 CB PRO A 92 -14.885 -0.267 16.166 1.00 0.00 C ATOM 1453 CG PRO A 92 -16.304 -0.725 16.123 1.00 0.00 C ATOM 1454 CD PRO A 92 -16.532 -1.326 14.763 1.00 0.00 C ATOM 0 HA PRO A 92 -13.378 -0.602 14.613 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -14.470 -0.371 17.168 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -14.804 0.786 15.895 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -16.496 -1.459 16.906 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -16.984 0.110 16.295 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -17.171 -2.208 14.820 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -17.023 -0.620 14.093 1.00 0.00 H new ATOM 1462 N ALA A 93 -14.027 -3.422 15.946 1.00 0.00 N ATOM 1463 CA ALA A 93 -13.431 -4.569 16.560 1.00 0.00 C ATOM 1464 C ALA A 93 -12.470 -5.262 15.600 1.00 0.00 C ATOM 1465 O ALA A 93 -11.798 -6.232 15.971 1.00 0.00 O ATOM 1466 CB ALA A 93 -14.492 -5.520 17.068 1.00 0.00 C ATOM 0 H ALA A 93 -14.961 -3.583 15.569 1.00 0.00 H new ATOM 0 HA ALA A 93 -12.851 -4.234 17.420 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -14.015 -6.384 17.531 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -15.114 -5.011 17.805 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -15.113 -5.851 16.235 1.00 0.00 H new ATOM 1472 N SER A 94 -12.403 -4.791 14.374 1.00 0.00 N ATOM 1473 CA SER A 94 -11.451 -5.297 13.449 1.00 0.00 C ATOM 1474 C SER A 94 -10.456 -4.189 13.133 1.00 0.00 C ATOM 1475 O SER A 94 -10.663 -3.039 13.554 1.00 0.00 O ATOM 1476 CB SER A 94 -12.142 -5.859 12.206 1.00 0.00 C ATOM 1477 OG SER A 94 -13.033 -4.942 11.617 1.00 0.00 O ATOM 0 H SER A 94 -13.006 -4.055 14.007 1.00 0.00 H new ATOM 0 HA SER A 94 -10.903 -6.135 13.881 1.00 0.00 H new ATOM 0 HB2 SER A 94 -11.387 -6.146 11.474 1.00 0.00 H new ATOM 0 HB3 SER A 94 -12.685 -6.765 12.476 1.00 0.00 H new ATOM 0 HG SER A 94 -13.562 -5.396 10.928 1.00 0.00 H new ATOM 1483 N GLU A 95 -9.380 -4.495 12.459 1.00 0.00 N ATOM 1484 CA GLU A 95 -8.403 -3.480 12.196 1.00 0.00 C ATOM 1485 C GLU A 95 -8.324 -3.154 10.705 1.00 0.00 C ATOM 1486 O GLU A 95 -8.530 -4.040 9.845 1.00 0.00 O ATOM 1487 CB GLU A 95 -7.020 -3.868 12.742 1.00 0.00 C ATOM 1488 CG GLU A 95 -6.420 -5.100 12.107 1.00 0.00 C ATOM 1489 CD GLU A 95 -5.040 -5.394 12.619 1.00 0.00 C ATOM 1490 OE1 GLU A 95 -4.905 -6.055 13.673 1.00 0.00 O ATOM 1491 OE2 GLU A 95 -4.059 -4.997 11.979 1.00 0.00 O ATOM 0 H GLU A 95 -9.162 -5.420 12.089 1.00 0.00 H new ATOM 0 HA GLU A 95 -8.728 -2.582 12.721 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.338 -3.031 12.596 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -7.100 -4.031 13.817 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -7.066 -5.956 12.300 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -6.383 -4.966 11.026 1.00 0.00 H new ATOM 1498 N PRO A 96 -8.076 -1.878 10.371 1.00 0.00 N ATOM 1499 CA PRO A 96 -7.867 -1.458 9.006 1.00 0.00 C ATOM 1500 C PRO A 96 -6.494 -1.904 8.541 1.00 0.00 C ATOM 1501 O PRO A 96 -5.528 -1.919 9.321 1.00 0.00 O ATOM 1502 CB PRO A 96 -7.927 0.082 9.056 1.00 0.00 C ATOM 1503 CG PRO A 96 -8.348 0.425 10.445 1.00 0.00 C ATOM 1504 CD PRO A 96 -7.977 -0.748 11.300 1.00 0.00 C ATOM 0 HA PRO A 96 -8.603 -1.880 8.321 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -6.956 0.519 8.822 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -8.636 0.470 8.325 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -7.849 1.331 10.790 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -9.420 0.615 10.490 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.971 -0.648 11.708 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -8.655 -0.861 12.146 1.00 0.00 H new ATOM 1512 N ILE A 97 -6.404 -2.294 7.306 1.00 0.00 N ATOM 1513 CA ILE A 97 -5.148 -2.739 6.750 1.00 0.00 C ATOM 1514 C ILE A 97 -4.309 -1.515 6.381 1.00 0.00 C ATOM 1515 O ILE A 97 -3.087 -1.513 6.514 1.00 0.00 O ATOM 1516 CB ILE A 97 -5.405 -3.625 5.508 1.00 0.00 C ATOM 1517 CG1 ILE A 97 -6.321 -4.793 5.898 1.00 0.00 C ATOM 1518 CG2 ILE A 97 -4.089 -4.149 4.923 1.00 0.00 C ATOM 1519 CD1 ILE A 97 -6.872 -5.556 4.723 1.00 0.00 C ATOM 0 H ILE A 97 -7.188 -2.316 6.654 1.00 0.00 H new ATOM 0 HA ILE A 97 -4.606 -3.336 7.483 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.891 -3.022 4.741 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -5.765 -5.480 6.536 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -7.151 -4.408 6.490 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -4.300 -4.769 4.051 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -3.462 -3.308 4.627 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -3.568 -4.744 5.674 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -7.509 -6.365 5.081 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -7.457 -4.884 4.095 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.049 -5.972 4.141 1.00 0.00 H new ATOM 1531 N GLN A 98 -4.997 -0.480 5.958 1.00 0.00 N ATOM 1532 CA GLN A 98 -4.421 0.791 5.569 1.00 0.00 C ATOM 1533 C GLN A 98 -5.604 1.734 5.495 1.00 0.00 C ATOM 1534 O GLN A 98 -6.715 1.316 5.813 1.00 0.00 O ATOM 1535 CB GLN A 98 -3.732 0.699 4.154 1.00 0.00 C ATOM 1536 CG GLN A 98 -4.668 0.891 2.937 1.00 0.00 C ATOM 1537 CD GLN A 98 -5.798 -0.108 2.852 1.00 0.00 C ATOM 1538 OE1 GLN A 98 -6.887 0.206 2.416 1.00 0.00 O ATOM 1539 NE2 GLN A 98 -5.542 -1.299 3.222 1.00 0.00 N ATOM 0 H GLN A 98 -6.013 -0.499 5.871 1.00 0.00 H new ATOM 0 HA GLN A 98 -3.653 1.115 6.271 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -2.944 1.450 4.105 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -3.250 -0.275 4.068 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -5.090 1.895 2.974 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -4.075 0.828 2.025 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -4.618 -1.533 3.584 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -6.261 -2.019 3.156 1.00 0.00 H new ATOM 1548 N SER A 99 -5.393 2.949 5.078 1.00 0.00 N ATOM 1549 CA SER A 99 -6.466 3.850 4.813 1.00 0.00 C ATOM 1550 C SER A 99 -6.061 4.754 3.645 1.00 0.00 C ATOM 1551 O SER A 99 -5.098 5.506 3.761 1.00 0.00 O ATOM 1552 CB SER A 99 -6.807 4.659 6.069 1.00 0.00 C ATOM 1553 OG SER A 99 -5.649 5.294 6.591 1.00 0.00 O ATOM 0 H SER A 99 -4.466 3.340 4.913 1.00 0.00 H new ATOM 0 HA SER A 99 -7.366 3.299 4.538 1.00 0.00 H new ATOM 0 HB2 SER A 99 -7.562 5.408 5.830 1.00 0.00 H new ATOM 0 HB3 SER A 99 -7.238 4.002 6.824 1.00 0.00 H new ATOM 0 HG SER A 99 -5.064 5.565 5.853 1.00 0.00 H new ATOM 1559 N PHE A 100 -6.765 4.655 2.522 1.00 0.00 N ATOM 1560 CA PHE A 100 -6.422 5.443 1.354 1.00 0.00 C ATOM 1561 C PHE A 100 -6.915 6.878 1.472 1.00 0.00 C ATOM 1562 O PHE A 100 -6.125 7.792 1.684 1.00 0.00 O ATOM 1563 CB PHE A 100 -6.941 4.799 0.057 1.00 0.00 C ATOM 1564 CG PHE A 100 -6.267 3.506 -0.321 1.00 0.00 C ATOM 1565 CD1 PHE A 100 -5.008 3.515 -0.901 1.00 0.00 C ATOM 1566 CD2 PHE A 100 -6.895 2.292 -0.124 1.00 0.00 C ATOM 1567 CE1 PHE A 100 -4.390 2.337 -1.273 1.00 0.00 C ATOM 1568 CE2 PHE A 100 -6.280 1.108 -0.493 1.00 0.00 C ATOM 1569 CZ PHE A 100 -5.026 1.132 -1.067 1.00 0.00 C ATOM 0 H PHE A 100 -7.570 4.040 2.401 1.00 0.00 H new ATOM 0 HA PHE A 100 -5.333 5.466 1.306 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -8.011 4.618 0.161 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -6.816 5.510 -0.760 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -4.503 4.456 -1.064 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -7.878 2.266 0.323 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -3.409 2.360 -1.725 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -6.782 0.166 -0.331 1.00 0.00 H new ATOM 0 HZ PHE A 100 -4.544 0.209 -1.354 1.00 0.00 H new ATOM 1579 N PHE A 101 -8.215 7.072 1.372 1.00 0.00 N ATOM 1580 CA PHE A 101 -8.779 8.405 1.405 1.00 0.00 C ATOM 1581 C PHE A 101 -10.227 8.366 1.860 1.00 0.00 C ATOM 1582 O PHE A 101 -10.740 7.289 2.185 1.00 0.00 O ATOM 1583 CB PHE A 101 -8.625 9.094 0.025 1.00 0.00 C ATOM 1584 CG PHE A 101 -9.259 8.370 -1.152 1.00 0.00 C ATOM 1585 CD1 PHE A 101 -10.569 8.622 -1.526 1.00 0.00 C ATOM 1586 CD2 PHE A 101 -8.529 7.450 -1.886 1.00 0.00 C ATOM 1587 CE1 PHE A 101 -11.135 7.965 -2.602 1.00 0.00 C ATOM 1588 CE2 PHE A 101 -9.091 6.791 -2.959 1.00 0.00 C ATOM 1589 CZ PHE A 101 -10.394 7.048 -3.316 1.00 0.00 C ATOM 0 H PHE A 101 -8.900 6.323 1.267 1.00 0.00 H new ATOM 0 HA PHE A 101 -8.228 9.000 2.133 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -9.058 10.092 0.089 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -7.562 9.220 -0.180 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -11.154 9.340 -0.971 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -7.504 7.246 -1.614 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -12.157 8.170 -2.883 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -8.509 6.074 -3.518 1.00 0.00 H new ATOM 0 HZ PHE A 101 -10.836 6.532 -4.155 1.00 0.00 H new ATOM 1599 N GLN A 102 -10.857 9.525 1.898 1.00 0.00 N ATOM 1600 CA GLN A 102 -12.245 9.678 2.318 1.00 0.00 C ATOM 1601 C GLN A 102 -13.128 10.136 1.175 1.00 0.00 C ATOM 1602 O GLN A 102 -12.656 10.799 0.247 1.00 0.00 O ATOM 1603 CB GLN A 102 -12.336 10.679 3.461 1.00 0.00 C ATOM 1604 CG GLN A 102 -11.941 10.114 4.805 1.00 0.00 C ATOM 1605 CD GLN A 102 -11.788 11.167 5.886 1.00 0.00 C ATOM 1606 OE1 GLN A 102 -10.987 11.009 6.809 1.00 0.00 O ATOM 1607 NE2 GLN A 102 -12.555 12.231 5.805 1.00 0.00 N ATOM 0 H GLN A 102 -10.414 10.405 1.634 1.00 0.00 H new ATOM 0 HA GLN A 102 -12.598 8.702 2.651 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -11.697 11.532 3.235 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -13.358 11.054 3.522 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -12.692 9.389 5.120 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -11.000 9.574 4.700 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -13.208 12.331 5.028 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -12.498 12.957 6.519 1.00 0.00 H new ATOM 1616 N ILE A 103 -14.389 9.756 1.237 1.00 0.00 N ATOM 1617 CA ILE A 103 -15.404 10.155 0.276 1.00 0.00 C ATOM 1618 C ILE A 103 -16.686 10.424 1.057 1.00 0.00 C ATOM 1619 O ILE A 103 -16.866 9.892 2.171 1.00 0.00 O ATOM 1620 CB ILE A 103 -15.696 9.061 -0.825 1.00 0.00 C ATOM 1621 CG1 ILE A 103 -16.386 7.832 -0.230 1.00 0.00 C ATOM 1622 CG2 ILE A 103 -14.420 8.650 -1.532 1.00 0.00 C ATOM 1623 CD1 ILE A 103 -16.754 6.799 -1.257 1.00 0.00 C ATOM 0 H ILE A 103 -14.747 9.147 1.973 1.00 0.00 H new ATOM 0 HA ILE A 103 -15.040 11.035 -0.254 1.00 0.00 H new ATOM 0 HB ILE A 103 -16.372 9.509 -1.553 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -15.728 7.378 0.511 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -17.287 8.149 0.295 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -14.648 7.896 -2.285 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -13.974 9.520 -2.013 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -13.719 8.238 -0.807 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -17.239 5.955 -0.767 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -17.437 7.237 -1.985 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -15.853 6.454 -1.765 1.00 0.00 H new ATOM 1635 N ASP A 104 -17.555 11.231 0.521 1.00 0.00 N ATOM 1636 CA ASP A 104 -18.796 11.532 1.200 1.00 0.00 C ATOM 1637 C ASP A 104 -19.818 10.448 0.997 1.00 0.00 C ATOM 1638 O ASP A 104 -20.351 10.259 -0.107 1.00 0.00 O ATOM 1639 CB ASP A 104 -19.362 12.905 0.809 1.00 0.00 C ATOM 1640 CG ASP A 104 -18.811 14.025 1.678 1.00 0.00 C ATOM 1641 OD1 ASP A 104 -19.320 14.232 2.795 1.00 0.00 O ATOM 1642 OD2 ASP A 104 -17.879 14.731 1.265 1.00 0.00 O ATOM 0 H ASP A 104 -17.435 11.694 -0.380 1.00 0.00 H new ATOM 0 HA ASP A 104 -18.561 11.575 2.263 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -19.126 13.109 -0.235 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -20.449 12.885 0.892 1.00 0.00 H new ATOM 1647 N LEU A 105 -20.134 9.735 2.055 1.00 0.00 N ATOM 1648 CA LEU A 105 -21.094 8.671 1.955 1.00 0.00 C ATOM 1649 C LEU A 105 -22.462 9.212 1.729 1.00 0.00 C ATOM 1650 O LEU A 105 -23.299 8.561 1.115 1.00 0.00 O ATOM 1651 CB LEU A 105 -21.099 7.730 3.140 1.00 0.00 C ATOM 1652 CG LEU A 105 -19.868 6.865 3.363 1.00 0.00 C ATOM 1653 CD1 LEU A 105 -20.238 5.742 4.304 1.00 0.00 C ATOM 1654 CD2 LEU A 105 -19.306 6.317 2.048 1.00 0.00 C ATOM 0 H LEU A 105 -19.741 9.875 2.986 1.00 0.00 H new ATOM 0 HA LEU A 105 -20.782 8.079 1.095 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -21.258 8.325 4.039 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -21.959 7.069 3.039 1.00 0.00 H new ATOM 0 HG LEU A 105 -19.079 7.476 3.802 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -19.367 5.110 4.476 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -20.577 6.159 5.252 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -21.037 5.146 3.863 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -18.428 5.705 2.255 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -20.064 5.709 1.554 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -19.026 7.146 1.398 1.00 0.00 H new ATOM 1666 N GLU A 106 -22.682 10.412 2.191 1.00 0.00 N ATOM 1667 CA GLU A 106 -23.930 11.079 1.975 1.00 0.00 C ATOM 1668 C GLU A 106 -24.106 11.447 0.494 1.00 0.00 C ATOM 1669 O GLU A 106 -25.217 11.707 0.044 1.00 0.00 O ATOM 1670 CB GLU A 106 -24.049 12.307 2.866 1.00 0.00 C ATOM 1671 CG GLU A 106 -22.894 13.284 2.749 1.00 0.00 C ATOM 1672 CD GLU A 106 -23.174 14.569 3.473 1.00 0.00 C ATOM 1673 OE1 GLU A 106 -23.782 15.470 2.884 1.00 0.00 O ATOM 1674 OE2 GLU A 106 -22.790 14.708 4.651 1.00 0.00 O ATOM 0 H GLU A 106 -22.001 10.951 2.726 1.00 0.00 H new ATOM 0 HA GLU A 106 -24.733 10.393 2.244 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -24.975 12.828 2.623 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -24.129 11.981 3.903 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -21.990 12.828 3.154 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -22.701 13.494 1.697 1.00 0.00 H new ATOM 1681 N ARG A 107 -23.004 11.445 -0.265 1.00 0.00 N ATOM 1682 CA ARG A 107 -23.079 11.742 -1.669 1.00 0.00 C ATOM 1683 C ARG A 107 -23.275 10.440 -2.463 1.00 0.00 C ATOM 1684 O ARG A 107 -23.725 10.460 -3.610 1.00 0.00 O ATOM 1685 CB ARG A 107 -21.869 12.559 -2.136 1.00 0.00 C ATOM 1686 CG ARG A 107 -20.720 11.778 -2.717 1.00 0.00 C ATOM 1687 CD ARG A 107 -19.577 12.693 -3.110 1.00 0.00 C ATOM 1688 NE ARG A 107 -20.009 13.785 -3.967 1.00 0.00 N ATOM 1689 CZ ARG A 107 -19.197 14.599 -4.656 1.00 0.00 C ATOM 1690 NH1 ARG A 107 -17.889 14.581 -4.437 1.00 0.00 N ATOM 1691 NH2 ARG A 107 -19.712 15.480 -5.502 1.00 0.00 N ATOM 0 H ARG A 107 -22.066 11.241 0.081 1.00 0.00 H new ATOM 0 HA ARG A 107 -23.946 12.374 -1.858 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -22.208 13.276 -2.884 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -21.497 13.135 -1.288 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -20.370 11.046 -1.989 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -21.060 11.221 -3.590 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -19.117 13.101 -2.210 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -18.811 12.112 -3.624 1.00 0.00 H new ATOM 0 HE ARG A 107 -21.013 13.945 -4.051 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -17.497 13.946 -3.742 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -17.275 15.202 -4.964 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -20.723 15.537 -5.627 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -19.098 16.101 -6.028 1.00 0.00 H new ATOM 1705 N LEU A 108 -22.907 9.300 -1.841 1.00 0.00 N ATOM 1706 CA LEU A 108 -23.242 7.973 -2.401 1.00 0.00 C ATOM 1707 C LEU A 108 -24.742 7.824 -2.481 1.00 0.00 C ATOM 1708 O LEU A 108 -25.463 8.388 -1.643 1.00 0.00 O ATOM 1709 CB LEU A 108 -22.674 6.798 -1.557 1.00 0.00 C ATOM 1710 CG LEU A 108 -21.258 6.315 -1.869 1.00 0.00 C ATOM 1711 CD1 LEU A 108 -21.132 5.868 -3.262 1.00 0.00 C ATOM 1712 CD2 LEU A 108 -20.250 7.332 -1.510 1.00 0.00 C ATOM 0 H LEU A 108 -22.386 9.270 -0.965 1.00 0.00 H new ATOM 0 HA LEU A 108 -22.785 7.924 -3.389 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -22.703 7.094 -0.508 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -23.349 5.949 -1.667 1.00 0.00 H new ATOM 0 HG LEU A 108 -21.061 5.443 -1.245 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -20.111 5.532 -3.445 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -21.823 5.045 -3.444 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -21.368 6.695 -3.932 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -19.254 6.956 -1.745 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -20.436 8.245 -2.076 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -20.314 7.547 -0.443 1.00 0.00 H new ATOM 1724 N GLU A 109 -25.207 7.085 -3.474 1.00 0.00 N ATOM 1725 CA GLU A 109 -26.640 6.875 -3.666 1.00 0.00 C ATOM 1726 C GLU A 109 -27.402 6.343 -2.430 1.00 0.00 C ATOM 1727 O GLU A 109 -28.151 7.094 -1.796 1.00 0.00 O ATOM 1728 CB GLU A 109 -26.955 6.156 -4.987 1.00 0.00 C ATOM 1729 CG GLU A 109 -26.067 4.986 -5.347 1.00 0.00 C ATOM 1730 CD GLU A 109 -26.462 3.682 -4.716 1.00 0.00 C ATOM 1731 OE1 GLU A 109 -25.995 3.383 -3.614 1.00 0.00 O ATOM 1732 OE2 GLU A 109 -27.238 2.934 -5.317 1.00 0.00 O ATOM 0 H GLU A 109 -24.616 6.618 -4.162 1.00 0.00 H new ATOM 0 HA GLU A 109 -27.063 7.874 -3.772 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -27.985 5.802 -4.946 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -26.901 6.886 -5.794 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -26.069 4.865 -6.430 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -25.044 5.220 -5.054 1.00 0.00 H new ATOM 1739 N SER A 110 -27.213 5.094 -2.086 1.00 0.00 N ATOM 1740 CA SER A 110 -27.821 4.479 -0.922 1.00 0.00 C ATOM 1741 C SER A 110 -27.049 3.213 -0.518 1.00 0.00 C ATOM 1742 O SER A 110 -26.252 3.227 0.419 1.00 0.00 O ATOM 1743 CB SER A 110 -29.308 4.120 -1.175 1.00 0.00 C ATOM 1744 OG SER A 110 -30.102 5.270 -1.455 1.00 0.00 O ATOM 0 H SER A 110 -26.619 4.457 -2.617 1.00 0.00 H new ATOM 0 HA SER A 110 -27.778 5.207 -0.112 1.00 0.00 H new ATOM 0 HB2 SER A 110 -29.374 3.423 -2.011 1.00 0.00 H new ATOM 0 HB3 SER A 110 -29.710 3.608 -0.301 1.00 0.00 H new ATOM 0 HG SER A 110 -29.569 6.079 -1.307 1.00 0.00 H new ATOM 1750 N HIS A 111 -27.220 2.151 -1.283 1.00 0.00 N ATOM 1751 CA HIS A 111 -26.662 0.854 -0.923 1.00 0.00 C ATOM 1752 C HIS A 111 -25.183 0.720 -1.234 1.00 0.00 C ATOM 1753 O HIS A 111 -24.525 -0.157 -0.696 1.00 0.00 O ATOM 1754 CB HIS A 111 -27.472 -0.307 -1.505 1.00 0.00 C ATOM 1755 CG HIS A 111 -28.830 -0.488 -0.883 1.00 0.00 C ATOM 1756 ND1 HIS A 111 -30.013 -0.085 -1.466 1.00 0.00 N ATOM 1757 CD2 HIS A 111 -29.176 -1.074 0.287 1.00 0.00 C ATOM 1758 CE1 HIS A 111 -31.015 -0.427 -0.657 1.00 0.00 C ATOM 1759 NE2 HIS A 111 -30.562 -1.036 0.430 1.00 0.00 N ATOM 0 H HIS A 111 -27.741 2.158 -2.160 1.00 0.00 H new ATOM 0 HA HIS A 111 -26.744 0.798 0.162 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -27.594 -0.148 -2.576 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -26.903 -1.229 -1.382 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -28.486 -1.504 0.998 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -32.058 -0.234 -0.860 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -31.112 -1.400 1.208 1.00 0.00 H new ATOM 1767 N MET A 112 -24.665 1.584 -2.090 1.00 0.00 N ATOM 1768 CA MET A 112 -23.233 1.611 -2.399 1.00 0.00 C ATOM 1769 C MET A 112 -22.411 1.767 -1.134 1.00 0.00 C ATOM 1770 O MET A 112 -21.579 0.910 -0.797 1.00 0.00 O ATOM 1771 CB MET A 112 -22.918 2.756 -3.350 1.00 0.00 C ATOM 1772 CG MET A 112 -23.197 2.467 -4.810 1.00 0.00 C ATOM 1773 SD MET A 112 -22.018 1.307 -5.505 1.00 0.00 S ATOM 1774 CE MET A 112 -20.506 2.238 -5.253 1.00 0.00 C ATOM 0 H MET A 112 -25.214 2.284 -2.590 1.00 0.00 H new ATOM 0 HA MET A 112 -22.975 0.664 -2.874 1.00 0.00 H new ATOM 0 HB2 MET A 112 -23.498 3.628 -3.050 1.00 0.00 H new ATOM 0 HB3 MET A 112 -21.866 3.020 -3.241 1.00 0.00 H new ATOM 0 HG2 MET A 112 -24.205 2.065 -4.913 1.00 0.00 H new ATOM 0 HG3 MET A 112 -23.166 3.398 -5.376 1.00 0.00 H new ATOM 0 HE1 MET A 112 -19.747 1.896 -5.956 1.00 0.00 H new ATOM 0 HE2 MET A 112 -20.700 3.298 -5.416 1.00 0.00 H new ATOM 0 HE3 MET A 112 -20.151 2.087 -4.234 1.00 0.00 H new ATOM 1784 N GLN A 113 -22.702 2.819 -0.393 1.00 0.00 N ATOM 1785 CA GLN A 113 -21.981 3.096 0.821 1.00 0.00 C ATOM 1786 C GLN A 113 -22.272 2.031 1.865 1.00 0.00 C ATOM 1787 O GLN A 113 -21.419 1.682 2.651 1.00 0.00 O ATOM 1788 CB GLN A 113 -22.286 4.494 1.363 1.00 0.00 C ATOM 1789 CG GLN A 113 -23.735 4.775 1.492 1.00 0.00 C ATOM 1790 CD GLN A 113 -24.136 5.400 2.810 1.00 0.00 C ATOM 1791 OE1 GLN A 113 -24.429 4.698 3.777 1.00 0.00 O ATOM 1792 NE2 GLN A 113 -24.211 6.684 2.857 1.00 0.00 N ATOM 0 H GLN A 113 -23.435 3.493 -0.616 1.00 0.00 H new ATOM 0 HA GLN A 113 -20.917 3.072 0.585 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -21.814 4.608 2.339 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -21.837 5.237 0.703 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -24.037 5.439 0.682 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -24.286 3.843 1.363 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -23.961 7.240 2.039 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -24.520 7.146 3.712 1.00 0.00 H new ATOM 1801 N LYS A 114 -23.485 1.492 1.824 1.00 0.00 N ATOM 1802 CA LYS A 114 -23.893 0.442 2.729 1.00 0.00 C ATOM 1803 C LYS A 114 -23.130 -0.837 2.521 1.00 0.00 C ATOM 1804 O LYS A 114 -22.819 -1.533 3.477 1.00 0.00 O ATOM 1805 CB LYS A 114 -25.363 0.203 2.664 1.00 0.00 C ATOM 1806 CG LYS A 114 -26.124 1.386 3.187 1.00 0.00 C ATOM 1807 CD LYS A 114 -27.584 1.108 3.310 1.00 0.00 C ATOM 1808 CE LYS A 114 -27.867 -0.036 4.273 1.00 0.00 C ATOM 1809 NZ LYS A 114 -29.304 -0.279 4.448 1.00 0.00 N ATOM 0 H LYS A 114 -24.207 1.775 1.161 1.00 0.00 H new ATOM 0 HA LYS A 114 -23.650 0.794 3.731 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -25.657 0.003 1.634 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -25.617 -0.683 3.245 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -25.727 1.669 4.162 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -25.973 2.236 2.522 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -28.096 2.006 3.654 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -27.991 0.865 2.328 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -27.390 -0.944 3.904 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -27.419 0.188 5.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -29.444 -1.067 5.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -29.757 0.577 4.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -29.730 -0.520 3.530 1.00 0.00 H new ATOM 1823 N ASN A 115 -22.795 -1.137 1.273 1.00 0.00 N ATOM 1824 CA ASN A 115 -21.979 -2.313 0.956 1.00 0.00 C ATOM 1825 C ASN A 115 -20.630 -2.144 1.580 1.00 0.00 C ATOM 1826 O ASN A 115 -20.047 -3.077 2.117 1.00 0.00 O ATOM 1827 CB ASN A 115 -21.805 -2.514 -0.563 1.00 0.00 C ATOM 1828 CG ASN A 115 -23.056 -2.963 -1.276 1.00 0.00 C ATOM 1829 OD1 ASN A 115 -23.908 -3.632 -0.699 1.00 0.00 O ATOM 1830 ND2 ASN A 115 -23.162 -2.640 -2.541 1.00 0.00 N ATOM 0 H ASN A 115 -23.073 -0.586 0.461 1.00 0.00 H new ATOM 0 HA ASN A 115 -22.491 -3.191 1.349 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -21.465 -1.578 -1.005 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -21.020 -3.250 -0.733 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -23.973 -2.946 -3.079 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -22.434 -2.082 -2.988 1.00 0.00 H new ATOM 1837 N LEU A 116 -20.177 -0.924 1.549 1.00 0.00 N ATOM 1838 CA LEU A 116 -18.894 -0.548 2.086 1.00 0.00 C ATOM 1839 C LEU A 116 -18.930 -0.544 3.629 1.00 0.00 C ATOM 1840 O LEU A 116 -17.902 -0.722 4.279 1.00 0.00 O ATOM 1841 CB LEU A 116 -18.537 0.830 1.558 1.00 0.00 C ATOM 1842 CG LEU A 116 -18.535 0.999 0.035 1.00 0.00 C ATOM 1843 CD1 LEU A 116 -18.358 2.454 -0.334 1.00 0.00 C ATOM 1844 CD2 LEU A 116 -17.439 0.160 -0.601 1.00 0.00 C ATOM 0 H LEU A 116 -20.696 -0.146 1.143 1.00 0.00 H new ATOM 0 HA LEU A 116 -18.139 -1.270 1.775 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -19.239 1.549 1.980 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -17.547 1.093 1.932 1.00 0.00 H new ATOM 0 HG LEU A 116 -19.496 0.654 -0.346 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -18.359 2.557 -1.419 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -19.177 3.038 0.086 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -17.411 2.818 0.064 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -17.457 0.296 -1.682 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -16.470 0.472 -0.212 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -17.603 -0.892 -0.365 1.00 0.00 H new ATOM 1856 N LEU A 117 -20.115 -0.308 4.195 1.00 0.00 N ATOM 1857 CA LEU A 117 -20.317 -0.333 5.638 1.00 0.00 C ATOM 1858 C LEU A 117 -20.078 -1.719 6.214 1.00 0.00 C ATOM 1859 O LEU A 117 -19.295 -1.868 7.155 1.00 0.00 O ATOM 1860 CB LEU A 117 -21.732 0.138 6.023 1.00 0.00 C ATOM 1861 CG LEU A 117 -22.121 1.551 5.600 1.00 0.00 C ATOM 1862 CD1 LEU A 117 -23.529 1.893 6.058 1.00 0.00 C ATOM 1863 CD2 LEU A 117 -21.121 2.559 6.120 1.00 0.00 C ATOM 0 H LEU A 117 -20.959 -0.095 3.663 1.00 0.00 H new ATOM 0 HA LEU A 117 -19.587 0.357 6.061 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -22.452 -0.557 5.591 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -21.832 0.067 7.106 1.00 0.00 H new ATOM 0 HG LEU A 117 -22.109 1.592 4.511 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -23.778 2.906 5.742 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -24.236 1.191 5.616 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -23.584 1.828 7.145 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -21.417 3.560 5.807 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -21.091 2.513 7.209 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -20.133 2.331 5.720 1.00 0.00 H new ATOM 1875 N LYS A 118 -20.732 -2.741 5.647 1.00 0.00 N ATOM 1876 CA LYS A 118 -20.588 -4.079 6.210 1.00 0.00 C ATOM 1877 C LYS A 118 -19.453 -4.836 5.572 1.00 0.00 C ATOM 1878 O LYS A 118 -19.033 -5.878 6.068 1.00 0.00 O ATOM 1879 CB LYS A 118 -21.881 -4.928 6.231 1.00 0.00 C ATOM 1880 CG LYS A 118 -22.341 -5.521 4.916 1.00 0.00 C ATOM 1881 CD LYS A 118 -23.038 -4.530 4.011 1.00 0.00 C ATOM 1882 CE LYS A 118 -23.585 -5.204 2.753 1.00 0.00 C ATOM 1883 NZ LYS A 118 -24.590 -6.256 3.064 1.00 0.00 N ATOM 0 H LYS A 118 -21.341 -2.670 4.832 1.00 0.00 H new ATOM 0 HA LYS A 118 -20.350 -3.902 7.259 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -21.737 -5.745 6.938 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -22.687 -4.307 6.622 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -21.478 -5.933 4.392 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -23.017 -6.351 5.119 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -23.855 -4.053 4.553 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -22.340 -3.742 3.728 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -24.039 -4.451 2.109 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -22.761 -5.647 2.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -25.112 -6.504 2.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -24.106 -7.101 3.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -25.255 -5.900 3.780 1.00 0.00 H new ATOM 1897 N GLY A 119 -18.987 -4.357 4.452 1.00 0.00 N ATOM 1898 CA GLY A 119 -17.843 -4.912 3.858 1.00 0.00 C ATOM 1899 C GLY A 119 -18.183 -5.681 2.653 1.00 0.00 C ATOM 1900 O GLY A 119 -19.138 -6.467 2.663 1.00 0.00 O ATOM 0 H GLY A 119 -19.399 -3.576 3.942 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -17.144 -4.117 3.599 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -17.337 -5.560 4.574 1.00 0.00 H new ATOM 1904 N ILE A 120 -17.455 -5.422 1.604 1.00 0.00 N ATOM 1905 CA ILE A 120 -17.611 -6.159 0.374 1.00 0.00 C ATOM 1906 C ILE A 120 -17.179 -7.578 0.648 1.00 0.00 C ATOM 1907 O ILE A 120 -16.036 -7.799 0.997 1.00 0.00 O ATOM 1908 CB ILE A 120 -16.760 -5.557 -0.781 1.00 0.00 C ATOM 1909 CG1 ILE A 120 -16.995 -4.048 -0.874 1.00 0.00 C ATOM 1910 CG2 ILE A 120 -17.115 -6.223 -2.110 1.00 0.00 C ATOM 1911 CD1 ILE A 120 -18.446 -3.683 -0.934 1.00 0.00 C ATOM 0 H ILE A 120 -16.738 -4.697 1.573 1.00 0.00 H new ATOM 0 HA ILE A 120 -18.651 -6.112 0.051 1.00 0.00 H new ATOM 0 HB ILE A 120 -15.707 -5.742 -0.569 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -16.539 -3.561 -0.012 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -16.492 -3.662 -1.761 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -16.510 -5.790 -2.907 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -16.917 -7.293 -2.045 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -18.171 -6.062 -2.327 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -18.546 -2.600 -0.999 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -18.901 -4.143 -1.811 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -18.949 -4.041 -0.035 1.00 0.00 H new ATOM 1923 N PRO A 121 -18.082 -8.549 0.476 1.00 0.00 N ATOM 1924 CA PRO A 121 -17.875 -9.950 0.891 1.00 0.00 C ATOM 1925 C PRO A 121 -16.790 -10.718 0.124 1.00 0.00 C ATOM 1926 O PRO A 121 -16.694 -11.938 0.255 1.00 0.00 O ATOM 1927 CB PRO A 121 -19.242 -10.583 0.657 1.00 0.00 C ATOM 1928 CG PRO A 121 -19.832 -9.770 -0.429 1.00 0.00 C ATOM 1929 CD PRO A 121 -19.407 -8.371 -0.153 1.00 0.00 C ATOM 0 HA PRO A 121 -17.512 -9.987 1.918 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -19.153 -11.630 0.368 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -19.856 -10.552 1.557 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -19.478 -10.102 -1.405 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -20.919 -9.856 -0.438 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -19.345 -7.780 -1.066 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -20.104 -7.860 0.511 1.00 0.00 H new ATOM 1937 N PHE A 122 -16.012 -10.030 -0.672 1.00 0.00 N ATOM 1938 CA PHE A 122 -14.903 -10.626 -1.382 1.00 0.00 C ATOM 1939 C PHE A 122 -14.123 -9.499 -2.019 1.00 0.00 C ATOM 1940 O PHE A 122 -14.712 -8.471 -2.375 1.00 0.00 O ATOM 1941 CB PHE A 122 -15.402 -11.614 -2.453 1.00 0.00 C ATOM 1942 CG PHE A 122 -14.382 -12.627 -2.882 1.00 0.00 C ATOM 1943 CD1 PHE A 122 -14.140 -13.740 -2.097 1.00 0.00 C ATOM 1944 CD2 PHE A 122 -13.678 -12.479 -4.058 1.00 0.00 C ATOM 1945 CE1 PHE A 122 -13.216 -14.684 -2.478 1.00 0.00 C ATOM 1946 CE2 PHE A 122 -12.751 -13.424 -4.445 1.00 0.00 C ATOM 1947 CZ PHE A 122 -12.521 -14.526 -3.654 1.00 0.00 C ATOM 0 H PHE A 122 -16.129 -9.032 -0.849 1.00 0.00 H new ATOM 0 HA PHE A 122 -14.273 -11.192 -0.696 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -16.277 -12.137 -2.068 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -15.727 -11.050 -3.327 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -14.684 -13.869 -1.173 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -13.854 -11.615 -4.682 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -13.036 -15.548 -1.855 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -12.206 -13.299 -5.369 1.00 0.00 H new ATOM 0 HZ PHE A 122 -11.795 -15.266 -3.956 1.00 0.00 H new ATOM 1957 N ARG A 123 -12.832 -9.656 -2.142 1.00 0.00 N ATOM 1958 CA ARG A 123 -11.999 -8.637 -2.724 1.00 0.00 C ATOM 1959 C ARG A 123 -11.011 -9.335 -3.636 1.00 0.00 C ATOM 1960 O ARG A 123 -10.363 -10.293 -3.217 1.00 0.00 O ATOM 1961 CB ARG A 123 -11.272 -7.882 -1.579 1.00 0.00 C ATOM 1962 CG ARG A 123 -10.491 -6.629 -1.966 1.00 0.00 C ATOM 1963 CD ARG A 123 -9.933 -5.915 -0.710 1.00 0.00 C ATOM 1964 NE ARG A 123 -8.862 -6.666 -0.047 1.00 0.00 N ATOM 1965 CZ ARG A 123 -8.775 -7.024 1.255 1.00 0.00 C ATOM 1966 NH1 ARG A 123 -9.657 -6.601 2.172 1.00 0.00 N ATOM 1967 NH2 ARG A 123 -7.742 -7.722 1.634 1.00 0.00 N ATOM 0 H ARG A 123 -12.329 -10.491 -1.843 1.00 0.00 H new ATOM 0 HA ARG A 123 -12.575 -7.911 -3.298 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -12.015 -7.602 -0.832 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -10.583 -8.577 -1.098 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -9.670 -6.898 -2.631 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -11.139 -5.948 -2.519 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -9.556 -4.933 -0.996 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -10.745 -5.751 -0.002 1.00 0.00 H new ATOM 0 HE ARG A 123 -8.085 -6.955 -0.642 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -10.425 -5.989 1.897 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -9.560 -6.891 3.145 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -7.027 -7.984 0.956 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -7.649 -8.007 2.609 1.00 0.00 H new ATOM 1981 N THR A 124 -10.909 -8.870 -4.862 1.00 0.00 N ATOM 1982 CA THR A 124 -10.012 -9.458 -5.822 1.00 0.00 C ATOM 1983 C THR A 124 -9.302 -8.288 -6.503 1.00 0.00 C ATOM 1984 O THR A 124 -9.738 -7.146 -6.312 1.00 0.00 O ATOM 1985 CB THR A 124 -10.796 -10.294 -6.843 1.00 0.00 C ATOM 1986 OG1 THR A 124 -11.923 -10.894 -6.193 1.00 0.00 O ATOM 1987 CG2 THR A 124 -9.925 -11.408 -7.388 1.00 0.00 C ATOM 0 H THR A 124 -11.444 -8.077 -5.216 1.00 0.00 H new ATOM 0 HA THR A 124 -9.297 -10.130 -5.348 1.00 0.00 H new ATOM 0 HB THR A 124 -11.116 -9.642 -7.656 1.00 0.00 H new ATOM 0 HG1 THR A 124 -12.740 -10.678 -6.689 1.00 0.00 H new ATOM 0 HG21 THR A 124 -10.493 -11.993 -8.111 1.00 0.00 H new ATOM 0 HG22 THR A 124 -9.049 -10.980 -7.876 1.00 0.00 H new ATOM 0 HG23 THR A 124 -9.605 -12.053 -6.570 1.00 0.00 H new ATOM 1995 N LYS A 125 -8.264 -8.525 -7.307 1.00 0.00 N ATOM 1996 CA LYS A 125 -7.459 -7.432 -7.791 1.00 0.00 C ATOM 1997 C LYS A 125 -8.219 -6.495 -8.730 1.00 0.00 C ATOM 1998 O LYS A 125 -8.165 -5.281 -8.567 1.00 0.00 O ATOM 1999 CB LYS A 125 -6.096 -7.929 -8.365 1.00 0.00 C ATOM 2000 CG LYS A 125 -6.118 -8.669 -9.713 1.00 0.00 C ATOM 2001 CD LYS A 125 -6.193 -7.712 -10.907 1.00 0.00 C ATOM 2002 CE LYS A 125 -4.978 -6.812 -10.966 1.00 0.00 C ATOM 2003 NZ LYS A 125 -5.001 -5.881 -12.111 1.00 0.00 N ATOM 0 H LYS A 125 -7.975 -9.450 -7.625 1.00 0.00 H new ATOM 0 HA LYS A 125 -7.216 -6.812 -6.928 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -5.439 -7.065 -8.467 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -5.641 -8.590 -7.627 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -5.223 -9.284 -9.801 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -6.973 -9.345 -9.739 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -6.269 -8.285 -11.831 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -7.095 -7.105 -10.833 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -4.913 -6.239 -10.041 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -4.080 -7.427 -11.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -4.043 -5.793 -12.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -5.645 -6.245 -12.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -5.331 -4.948 -11.793 1.00 0.00 H new ATOM 2017 N ALA A 126 -8.993 -7.059 -9.649 1.00 0.00 N ATOM 2018 CA ALA A 126 -9.671 -6.257 -10.633 1.00 0.00 C ATOM 2019 C ALA A 126 -10.924 -5.714 -10.042 1.00 0.00 C ATOM 2020 O ALA A 126 -11.379 -4.637 -10.386 1.00 0.00 O ATOM 2021 CB ALA A 126 -9.967 -7.075 -11.873 1.00 0.00 C ATOM 0 H ALA A 126 -9.160 -8.062 -9.725 1.00 0.00 H new ATOM 0 HA ALA A 126 -9.029 -5.427 -10.930 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -10.480 -6.452 -12.606 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -9.033 -7.442 -12.299 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -10.602 -7.921 -11.608 1.00 0.00 H new ATOM 2027 N GLU A 127 -11.446 -6.451 -9.101 1.00 0.00 N ATOM 2028 CA GLU A 127 -12.658 -6.083 -8.452 1.00 0.00 C ATOM 2029 C GLU A 127 -12.430 -4.918 -7.504 1.00 0.00 C ATOM 2030 O GLU A 127 -13.290 -4.053 -7.361 1.00 0.00 O ATOM 2031 CB GLU A 127 -13.276 -7.292 -7.778 1.00 0.00 C ATOM 2032 CG GLU A 127 -13.398 -8.452 -8.756 1.00 0.00 C ATOM 2033 CD GLU A 127 -14.328 -9.539 -8.290 1.00 0.00 C ATOM 2034 OE1 GLU A 127 -15.543 -9.328 -8.265 1.00 0.00 O ATOM 2035 OE2 GLU A 127 -13.855 -10.641 -7.943 1.00 0.00 O ATOM 0 H GLU A 127 -11.037 -7.324 -8.767 1.00 0.00 H new ATOM 0 HA GLU A 127 -13.377 -5.733 -9.193 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -12.665 -7.591 -6.926 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -14.261 -7.033 -7.389 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -13.749 -8.072 -9.715 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -12.409 -8.879 -8.925 1.00 0.00 H new ATOM 2042 N PHE A 128 -11.239 -4.877 -6.909 1.00 0.00 N ATOM 2043 CA PHE A 128 -10.833 -3.792 -6.044 1.00 0.00 C ATOM 2044 C PHE A 128 -10.696 -2.509 -6.836 1.00 0.00 C ATOM 2045 O PHE A 128 -11.308 -1.509 -6.505 1.00 0.00 O ATOM 2046 CB PHE A 128 -9.489 -4.117 -5.351 1.00 0.00 C ATOM 2047 CG PHE A 128 -8.893 -2.946 -4.609 1.00 0.00 C ATOM 2048 CD1 PHE A 128 -8.074 -2.037 -5.271 1.00 0.00 C ATOM 2049 CD2 PHE A 128 -9.170 -2.742 -3.278 1.00 0.00 C ATOM 2050 CE1 PHE A 128 -7.546 -0.949 -4.614 1.00 0.00 C ATOM 2051 CE2 PHE A 128 -8.645 -1.653 -2.606 1.00 0.00 C ATOM 2052 CZ PHE A 128 -7.833 -0.754 -3.274 1.00 0.00 C ATOM 0 H PHE A 128 -10.531 -5.603 -7.020 1.00 0.00 H new ATOM 0 HA PHE A 128 -11.601 -3.664 -5.282 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -9.640 -4.940 -4.653 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -8.777 -4.462 -6.101 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -7.849 -2.187 -6.317 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -9.804 -3.440 -2.751 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -6.912 -0.252 -5.141 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -8.869 -1.505 -1.560 1.00 0.00 H new ATOM 0 HZ PHE A 128 -7.424 0.098 -2.751 1.00 0.00 H new ATOM 2062 N GLU A 129 -9.893 -2.548 -7.885 1.00 0.00 N ATOM 2063 CA GLU A 129 -9.615 -1.359 -8.664 1.00 0.00 C ATOM 2064 C GLU A 129 -10.873 -0.817 -9.328 1.00 0.00 C ATOM 2065 O GLU A 129 -10.991 0.377 -9.538 1.00 0.00 O ATOM 2066 CB GLU A 129 -8.481 -1.600 -9.672 1.00 0.00 C ATOM 2067 CG GLU A 129 -8.676 -2.828 -10.529 1.00 0.00 C ATOM 2068 CD GLU A 129 -7.665 -2.957 -11.636 1.00 0.00 C ATOM 2069 OE1 GLU A 129 -7.784 -2.227 -12.627 1.00 0.00 O ATOM 2070 OE2 GLU A 129 -6.746 -3.818 -11.561 1.00 0.00 O ATOM 0 H GLU A 129 -9.423 -3.391 -8.215 1.00 0.00 H new ATOM 0 HA GLU A 129 -9.268 -0.588 -7.976 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -8.392 -0.728 -10.319 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -7.540 -1.693 -9.130 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -8.625 -3.714 -9.896 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -9.676 -2.803 -10.962 1.00 0.00 H new ATOM 2077 N ASP A 130 -11.823 -1.699 -9.581 1.00 0.00 N ATOM 2078 CA ASP A 130 -13.100 -1.335 -10.189 1.00 0.00 C ATOM 2079 C ASP A 130 -13.963 -0.566 -9.206 1.00 0.00 C ATOM 2080 O ASP A 130 -14.502 0.492 -9.522 1.00 0.00 O ATOM 2081 CB ASP A 130 -13.835 -2.588 -10.636 1.00 0.00 C ATOM 2082 CG ASP A 130 -15.183 -2.305 -11.254 1.00 0.00 C ATOM 2083 OD1 ASP A 130 -15.241 -1.669 -12.324 1.00 0.00 O ATOM 2084 OD2 ASP A 130 -16.213 -2.691 -10.663 1.00 0.00 O ATOM 0 H ASP A 130 -11.735 -2.693 -9.371 1.00 0.00 H new ATOM 0 HA ASP A 130 -12.901 -0.700 -11.052 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -13.218 -3.124 -11.357 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -13.968 -3.247 -9.778 1.00 0.00 H new ATOM 2089 N VAL A 131 -14.086 -1.086 -8.017 1.00 0.00 N ATOM 2090 CA VAL A 131 -14.867 -0.411 -6.990 1.00 0.00 C ATOM 2091 C VAL A 131 -14.137 0.852 -6.507 1.00 0.00 C ATOM 2092 O VAL A 131 -14.744 1.903 -6.311 1.00 0.00 O ATOM 2093 CB VAL A 131 -15.253 -1.362 -5.796 1.00 0.00 C ATOM 2094 CG1 VAL A 131 -14.047 -1.999 -5.173 1.00 0.00 C ATOM 2095 CG2 VAL A 131 -16.048 -0.630 -4.734 1.00 0.00 C ATOM 0 H VAL A 131 -13.664 -1.967 -7.726 1.00 0.00 H new ATOM 0 HA VAL A 131 -15.811 -0.108 -7.443 1.00 0.00 H new ATOM 0 HB VAL A 131 -15.876 -2.149 -6.221 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -14.360 -2.647 -4.354 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -13.520 -2.590 -5.922 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -13.383 -1.224 -4.790 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -16.296 -1.318 -3.926 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -15.454 0.194 -4.339 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -16.966 -0.238 -5.172 1.00 0.00 H new ATOM 2105 N ILE A 132 -12.831 0.759 -6.398 1.00 0.00 N ATOM 2106 CA ILE A 132 -12.009 1.863 -5.956 1.00 0.00 C ATOM 2107 C ILE A 132 -11.963 3.004 -6.961 1.00 0.00 C ATOM 2108 O ILE A 132 -11.909 4.181 -6.568 1.00 0.00 O ATOM 2109 CB ILE A 132 -10.594 1.394 -5.491 1.00 0.00 C ATOM 2110 CG1 ILE A 132 -10.571 1.212 -3.966 1.00 0.00 C ATOM 2111 CG2 ILE A 132 -9.475 2.316 -5.955 1.00 0.00 C ATOM 2112 CD1 ILE A 132 -11.584 0.225 -3.429 1.00 0.00 C ATOM 0 H ILE A 132 -12.307 -0.089 -6.614 1.00 0.00 H new ATOM 0 HA ILE A 132 -12.495 2.278 -5.073 1.00 0.00 H new ATOM 0 HB ILE A 132 -10.403 0.432 -5.968 1.00 0.00 H new ATOM 0 HG12 ILE A 132 -9.574 0.886 -3.668 1.00 0.00 H new ATOM 0 HG13 ILE A 132 -10.744 2.180 -3.496 1.00 0.00 H new ATOM 0 HG21 ILE A 132 -8.518 1.934 -5.599 1.00 0.00 H new ATOM 0 HG22 ILE A 132 -9.466 2.358 -7.044 1.00 0.00 H new ATOM 0 HG23 ILE A 132 -9.638 3.316 -5.554 1.00 0.00 H new ATOM 0 HD11 ILE A 132 -11.493 0.163 -2.345 1.00 0.00 H new ATOM 0 HD12 ILE A 132 -12.589 0.557 -3.690 1.00 0.00 H new ATOM 0 HD13 ILE A 132 -11.401 -0.757 -3.865 1.00 0.00 H new ATOM 2124 N GLU A 133 -12.033 2.691 -8.244 1.00 0.00 N ATOM 2125 CA GLU A 133 -12.054 3.747 -9.226 1.00 0.00 C ATOM 2126 C GLU A 133 -13.378 4.501 -9.141 1.00 0.00 C ATOM 2127 O GLU A 133 -13.454 5.695 -9.420 1.00 0.00 O ATOM 2128 CB GLU A 133 -11.778 3.256 -10.641 1.00 0.00 C ATOM 2129 CG GLU A 133 -12.819 2.377 -11.224 1.00 0.00 C ATOM 2130 CD GLU A 133 -12.490 1.998 -12.633 1.00 0.00 C ATOM 2131 OE1 GLU A 133 -12.711 2.826 -13.561 1.00 0.00 O ATOM 2132 OE2 GLU A 133 -12.005 0.885 -12.856 1.00 0.00 O ATOM 0 H GLU A 133 -12.075 1.742 -8.617 1.00 0.00 H new ATOM 0 HA GLU A 133 -11.237 4.429 -8.992 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -11.653 4.123 -11.290 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -10.830 2.718 -10.642 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -12.918 1.477 -10.618 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -13.783 2.886 -11.198 1.00 0.00 H new ATOM 2139 N HIS A 134 -14.400 3.801 -8.694 1.00 0.00 N ATOM 2140 CA HIS A 134 -15.693 4.389 -8.497 1.00 0.00 C ATOM 2141 C HIS A 134 -15.656 5.225 -7.195 1.00 0.00 C ATOM 2142 O HIS A 134 -16.228 6.287 -7.110 1.00 0.00 O ATOM 2143 CB HIS A 134 -16.759 3.284 -8.452 1.00 0.00 C ATOM 2144 CG HIS A 134 -18.168 3.772 -8.549 1.00 0.00 C ATOM 2145 ND1 HIS A 134 -18.853 3.914 -9.731 1.00 0.00 N ATOM 2146 CD2 HIS A 134 -19.022 4.133 -7.583 1.00 0.00 C ATOM 2147 CE1 HIS A 134 -20.076 4.353 -9.452 1.00 0.00 C ATOM 2148 NE2 HIS A 134 -20.236 4.502 -8.149 1.00 0.00 N ATOM 0 H HIS A 134 -14.350 2.810 -8.459 1.00 0.00 H new ATOM 0 HA HIS A 134 -15.954 5.052 -9.322 1.00 0.00 H new ATOM 0 HB2 HIS A 134 -16.574 2.586 -9.268 1.00 0.00 H new ATOM 0 HB3 HIS A 134 -16.645 2.726 -7.523 1.00 0.00 H new ATOM 0 HD1 HIS A 134 -18.486 3.717 -10.662 1.00 0.00 H new ATOM 0 HD2 HIS A 134 -18.801 4.137 -6.526 1.00 0.00 H new ATOM 0 HE1 HIS A 134 -20.836 4.560 -10.191 1.00 0.00 H new ATOM 2156 N MET A 135 -14.945 4.727 -6.199 1.00 0.00 N ATOM 2157 CA MET A 135 -14.702 5.460 -4.936 1.00 0.00 C ATOM 2158 C MET A 135 -13.993 6.793 -5.209 1.00 0.00 C ATOM 2159 O MET A 135 -14.404 7.840 -4.712 1.00 0.00 O ATOM 2160 CB MET A 135 -13.839 4.641 -3.963 1.00 0.00 C ATOM 2161 CG MET A 135 -14.388 3.280 -3.501 1.00 0.00 C ATOM 2162 SD MET A 135 -15.915 3.348 -2.530 1.00 0.00 S ATOM 2163 CE MET A 135 -17.185 3.502 -3.784 1.00 0.00 C ATOM 0 H MET A 135 -14.513 3.804 -6.228 1.00 0.00 H new ATOM 0 HA MET A 135 -15.677 5.641 -4.484 1.00 0.00 H new ATOM 0 HB2 MET A 135 -12.871 4.471 -4.433 1.00 0.00 H new ATOM 0 HB3 MET A 135 -13.660 5.250 -3.077 1.00 0.00 H new ATOM 0 HG2 MET A 135 -14.564 2.661 -4.381 1.00 0.00 H new ATOM 0 HG3 MET A 135 -13.622 2.781 -2.908 1.00 0.00 H new ATOM 0 HE1 MET A 135 -17.642 4.489 -3.720 1.00 0.00 H new ATOM 0 HE2 MET A 135 -16.740 3.372 -4.770 1.00 0.00 H new ATOM 0 HE3 MET A 135 -17.947 2.739 -3.626 1.00 0.00 H new ATOM 2173 N LYS A 136 -12.955 6.756 -6.041 1.00 0.00 N ATOM 2174 CA LYS A 136 -12.187 7.968 -6.380 1.00 0.00 C ATOM 2175 C LYS A 136 -12.998 8.880 -7.279 1.00 0.00 C ATOM 2176 O LYS A 136 -12.692 10.048 -7.441 1.00 0.00 O ATOM 2177 CB LYS A 136 -10.792 7.663 -6.964 1.00 0.00 C ATOM 2178 CG LYS A 136 -10.805 6.930 -8.281 1.00 0.00 C ATOM 2179 CD LYS A 136 -9.405 6.483 -8.723 1.00 0.00 C ATOM 2180 CE LYS A 136 -8.747 5.571 -7.685 1.00 0.00 C ATOM 2181 NZ LYS A 136 -7.466 4.994 -8.154 1.00 0.00 N ATOM 0 H LYS A 136 -12.621 5.906 -6.496 1.00 0.00 H new ATOM 0 HA LYS A 136 -11.996 8.495 -5.445 1.00 0.00 H new ATOM 0 HB2 LYS A 136 -10.254 8.602 -7.092 1.00 0.00 H new ATOM 0 HB3 LYS A 136 -10.232 7.071 -6.240 1.00 0.00 H new ATOM 0 HG2 LYS A 136 -11.452 6.057 -8.200 1.00 0.00 H new ATOM 0 HG3 LYS A 136 -11.235 7.575 -9.047 1.00 0.00 H new ATOM 0 HD2 LYS A 136 -9.475 5.959 -9.676 1.00 0.00 H new ATOM 0 HD3 LYS A 136 -8.778 7.360 -8.887 1.00 0.00 H new ATOM 0 HE2 LYS A 136 -8.571 6.137 -6.770 1.00 0.00 H new ATOM 0 HE3 LYS A 136 -9.433 4.762 -7.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 -7.066 4.386 -7.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 -7.633 4.429 -9.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 -6.798 5.761 -8.370 1.00 0.00 H new ATOM 2195 N THR A 137 -14.021 8.319 -7.881 1.00 0.00 N ATOM 2196 CA THR A 137 -14.937 9.059 -8.678 1.00 0.00 C ATOM 2197 C THR A 137 -15.802 9.988 -7.755 1.00 0.00 C ATOM 2198 O THR A 137 -16.409 10.967 -8.207 1.00 0.00 O ATOM 2199 CB THR A 137 -15.754 8.077 -9.579 1.00 0.00 C ATOM 2200 OG1 THR A 137 -15.449 8.261 -10.965 1.00 0.00 O ATOM 2201 CG2 THR A 137 -17.246 8.109 -9.331 1.00 0.00 C ATOM 0 H THR A 137 -14.232 7.323 -7.822 1.00 0.00 H new ATOM 0 HA THR A 137 -14.420 9.728 -9.366 1.00 0.00 H new ATOM 0 HB THR A 137 -15.432 7.078 -9.286 1.00 0.00 H new ATOM 0 HG1 THR A 137 -15.974 7.632 -11.502 1.00 0.00 H new ATOM 0 HG21 THR A 137 -17.741 7.400 -9.995 1.00 0.00 H new ATOM 0 HG22 THR A 137 -17.449 7.838 -8.295 1.00 0.00 H new ATOM 0 HG23 THR A 137 -17.625 9.112 -9.524 1.00 0.00 H new ATOM 2209 N TYR A 138 -15.825 9.678 -6.451 1.00 0.00 N ATOM 2210 CA TYR A 138 -16.399 10.568 -5.483 1.00 0.00 C ATOM 2211 C TYR A 138 -15.267 11.389 -4.916 1.00 0.00 C ATOM 2212 O TYR A 138 -15.217 12.597 -5.111 1.00 0.00 O ATOM 2213 CB TYR A 138 -17.156 9.795 -4.376 1.00 0.00 C ATOM 2214 CG TYR A 138 -18.311 9.016 -4.937 1.00 0.00 C ATOM 2215 CD1 TYR A 138 -19.428 9.675 -5.414 1.00 0.00 C ATOM 2216 CD2 TYR A 138 -18.252 7.641 -5.082 1.00 0.00 C ATOM 2217 CE1 TYR A 138 -20.464 8.986 -6.004 1.00 0.00 C ATOM 2218 CE2 TYR A 138 -19.264 6.960 -5.691 1.00 0.00 C ATOM 2219 CZ TYR A 138 -20.366 7.632 -6.146 1.00 0.00 C ATOM 2220 OH TYR A 138 -21.370 6.941 -6.765 1.00 0.00 O ATOM 0 H TYR A 138 -15.448 8.814 -6.062 1.00 0.00 H new ATOM 0 HA TYR A 138 -17.142 11.215 -5.951 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -16.469 9.116 -3.871 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -17.520 10.497 -3.625 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -19.490 10.749 -5.322 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -17.394 7.101 -4.708 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -21.343 9.510 -6.350 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -19.196 5.889 -5.814 1.00 0.00 H new ATOM 0 HH TYR A 138 -20.998 6.151 -7.210 1.00 0.00 H new ATOM 2230 N SER A 139 -14.308 10.693 -4.281 1.00 0.00 N ATOM 2231 CA SER A 139 -13.092 11.265 -3.665 1.00 0.00 C ATOM 2232 C SER A 139 -13.381 12.435 -2.715 1.00 0.00 C ATOM 2233 O SER A 139 -12.479 13.203 -2.364 1.00 0.00 O ATOM 2234 CB SER A 139 -12.055 11.657 -4.741 1.00 0.00 C ATOM 2235 OG SER A 139 -12.552 12.639 -5.652 1.00 0.00 O ATOM 0 H SER A 139 -14.358 9.679 -4.177 1.00 0.00 H new ATOM 0 HA SER A 139 -12.666 10.476 -3.045 1.00 0.00 H new ATOM 0 HB2 SER A 139 -11.158 12.040 -4.254 1.00 0.00 H new ATOM 0 HB3 SER A 139 -11.760 10.767 -5.297 1.00 0.00 H new ATOM 0 HG SER A 139 -13.490 12.832 -5.445 1.00 0.00 H new ATOM 2241 N GLY A 140 -14.592 12.523 -2.269 1.00 0.00 N ATOM 2242 CA GLY A 140 -15.026 13.582 -1.495 1.00 0.00 C ATOM 2243 C GLY A 140 -16.457 13.533 -1.662 1.00 0.00 C ATOM 2244 O GLY A 140 -17.118 14.560 -1.680 1.00 0.00 O ATOM 2245 OXT GLY A 140 -16.939 12.396 -1.894 1.00 0.00 O ATOM 0 H GLY A 140 -15.311 11.823 -2.454 1.00 0.00 H new ATOM 0 HA2 GLY A 140 -14.736 13.465 -0.451 1.00 0.00 H new ATOM 0 HA3 GLY A 140 -14.611 14.530 -1.837 1.00 0.00 H new TER 2249 GLY A 140