USER MOD reduce.3.24.130724 H: found=0, std=0, add=1004, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1004 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 117 SER OG : rot 180:sc= -0.125 USER MOD Set 1.2: A 119 LYS NZ :NH3+ 168:sc= -0.0101 (180deg=-0.134) USER MOD Set 2.1: A 98 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 108 GLN : amide:sc= -0.108 K(o=-0.11,f=-0.9) USER MOD Set 3.1: A 92 GLN : amide:sc= 0.809 X(o=1.9,f=1.5) USER MOD Set 3.2: A 94 THR OG1 : rot 67:sc= 1.09 USER MOD Set 4.1: A 87 SER OG : rot 180:sc= 0.92 USER MOD Set 4.2: A 89 SER OG : rot 180:sc= 0.928 USER MOD Set 4.3: A 93 GLN : amide:sc= 1.91 K(o=3.8,f=-1.6!) USER MOD Set 5.1: A 45 THR OG1 : rot -153:sc= 2.36 USER MOD Set 5.2: A 102 SER OG : rot 59:sc= 2.12 USER MOD Set 6.1: A 35 GLN : amide:sc= 1.01 K(o=2.2,f=-2.7) USER MOD Set 6.2: A 80 THR OG1 : rot 107:sc= 1.2 USER MOD Set 7.1: A 29 THR OG1 : rot 180:sc= 1 USER MOD Set 7.2: A 86 THR OG1 : rot -77:sc= 1.24 USER MOD Single : A 1 MET CE :methyl 166:sc= 0 (180deg=-0.127) USER MOD Single : A 1 MET N :NH3+ -164:sc= -0.0126 (180deg=-0.321) USER MOD Single : A 2 ASN : amide:sc= -0.214 X(o=-0.21,f=0) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 GLN : amide:sc= -1.52 K(o=-1.5,f=-3.1) USER MOD Single : A 10 SER OG : rot 180:sc= 0.0445 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc=-0.00747 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0438 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -170:sc= -0.0134 (180deg=-0.162) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 CYS SG : rot 48:sc= -1.1 USER MOD Single : A 37 HIS : no HE2:sc= 1.02 K(o=1,f=-6.2!) USER MOD Single : A 46 LYS NZ :NH3+ 166:sc= -0.0687 (180deg=-0.406) USER MOD Single : A 47 TYR OH : rot -162:sc= 2.09 USER MOD Single : A 51 TYR OH : rot -176:sc= 1.21 USER MOD Single : A 53 GLN : amide:sc= -0.964 X(o=-0.96,f=-1.3) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 MET CE :methyl 143:sc= -0.0832 (180deg=-0.772) USER MOD Single : A 63 SER OG : rot 180:sc= 0.0377 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.0273 K(o=-0.027,f=-1) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 31:sc= 0.773 USER MOD Single : A 85 TYR OH : rot 70:sc= -0.0363 USER MOD Single : A 90 THR OG1 : rot -28:sc= 0.244 USER MOD Single : A 100 GLN : amide:sc= 0.754 K(o=0.75,f=-5.8!) USER MOD Single : A 105 GLN : amide:sc= 0.471 K(o=0.47,f=-5.5!) USER MOD Single : A 107 GLN : amide:sc= -5.16! C(o=-5.2!,f=-6.3!) USER MOD Single : A 110 THR OG1 : rot -98:sc= 1.28 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 114 ASN : amide:sc= 0.716 K(o=0.72,f=-2.1) USER MOD Single : A 115 ASN : amide:sc= -0.0538 X(o=-0.054,f=0) USER MOD Single : A 118 SER OG : rot 180:sc= 0.354 USER MOD Single : A 125 HIS : no HD1:sc= 0 X(o=0,f=-0.0012) USER MOD Single : A 126 HIS : no HD1:sc= -0.0505 X(o=-0.051,f=0) USER MOD Single : A 127 HIS : no HD1:sc= -0.385 X(o=-0.38,f=-0.018) USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 129 HIS : no HD1:sc= -0.442 X(o=-0.44,f=-0.026) USER MOD Single : A 130 HIS : no HD1:sc= -0.227 X(o=-0.23,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.354 -37.144 8.671 1.00 0.00 N ATOM 2 CA MET A 1 -0.172 -36.523 9.910 1.00 0.00 C ATOM 3 C MET A 1 0.981 -35.950 10.732 1.00 0.00 C ATOM 4 O MET A 1 0.847 -34.894 11.355 1.00 0.00 O ATOM 5 CB MET A 1 -0.955 -37.569 10.724 1.00 0.00 C ATOM 6 CG MET A 1 -1.808 -36.990 11.848 1.00 0.00 C ATOM 7 SD MET A 1 -0.858 -36.551 13.318 1.00 0.00 S ATOM 8 CE MET A 1 -2.156 -35.897 14.368 1.00 0.00 C ATOM 0 H1 MET A 1 -0.425 -37.287 7.997 1.00 0.00 H new ATOM 0 H2 MET A 1 1.070 -36.520 8.247 1.00 0.00 H new ATOM 0 H3 MET A 1 0.787 -38.062 8.899 1.00 0.00 H new ATOM 0 HA MET A 1 -0.848 -35.709 9.650 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.601 -38.128 10.047 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.249 -38.281 11.151 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.325 -36.104 11.481 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.574 -37.715 12.123 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.789 -35.813 15.391 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.454 -34.913 14.007 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.015 -36.567 14.345 1.00 0.00 H new ATOM 20 N ASN A 2 2.117 -36.643 10.696 1.00 0.00 N ATOM 21 CA ASN A 2 3.331 -36.235 11.401 1.00 0.00 C ATOM 22 C ASN A 2 3.174 -36.429 12.907 1.00 0.00 C ATOM 23 O ASN A 2 3.450 -37.509 13.420 1.00 0.00 O ATOM 24 CB ASN A 2 3.716 -34.782 11.067 1.00 0.00 C ATOM 25 CG ASN A 2 5.089 -34.395 11.593 1.00 0.00 C ATOM 26 OD1 ASN A 2 6.103 -34.621 10.933 1.00 0.00 O ATOM 27 ND2 ASN A 2 5.132 -33.786 12.769 1.00 0.00 N ATOM 0 H ASN A 2 2.222 -37.512 10.172 1.00 0.00 H new ATOM 0 HA ASN A 2 4.144 -36.875 11.059 1.00 0.00 H new ATOM 0 HB2 ASN A 2 3.696 -34.646 9.986 1.00 0.00 H new ATOM 0 HB3 ASN A 2 2.969 -34.108 11.487 1.00 0.00 H new ATOM 0 HD21 ASN A 2 6.027 -33.487 13.156 1.00 0.00 H new ATOM 0 HD22 ASN A 2 4.270 -33.616 13.287 1.00 0.00 H new ATOM 34 N ASP A 3 2.679 -35.405 13.596 1.00 0.00 N ATOM 35 CA ASP A 3 2.537 -35.442 15.054 1.00 0.00 C ATOM 36 C ASP A 3 1.523 -34.403 15.503 1.00 0.00 C ATOM 37 O ASP A 3 0.460 -34.732 16.029 1.00 0.00 O ATOM 38 CB ASP A 3 3.876 -35.168 15.763 1.00 0.00 C ATOM 39 CG ASP A 3 4.833 -36.342 15.734 1.00 0.00 C ATOM 40 OD1 ASP A 3 4.551 -37.364 16.396 1.00 0.00 O ATOM 41 OD2 ASP A 3 5.884 -36.243 15.063 1.00 0.00 O ATOM 0 H ASP A 3 2.367 -34.533 13.168 1.00 0.00 H new ATOM 0 HA ASP A 3 2.199 -36.443 15.324 1.00 0.00 H new ATOM 0 HB2 ASP A 3 4.355 -34.308 15.295 1.00 0.00 H new ATOM 0 HB3 ASP A 3 3.679 -34.897 16.800 1.00 0.00 H new ATOM 46 N ASP A 4 1.868 -33.143 15.290 1.00 0.00 N ATOM 47 CA ASP A 4 1.006 -32.036 15.661 1.00 0.00 C ATOM 48 C ASP A 4 0.092 -31.649 14.514 1.00 0.00 C ATOM 49 O ASP A 4 0.422 -31.846 13.340 1.00 0.00 O ATOM 50 CB ASP A 4 1.833 -30.817 16.074 1.00 0.00 C ATOM 51 CG ASP A 4 2.509 -30.987 17.415 1.00 0.00 C ATOM 52 OD1 ASP A 4 1.895 -30.626 18.441 1.00 0.00 O ATOM 53 OD2 ASP A 4 3.662 -31.465 17.447 1.00 0.00 O ATOM 0 H ASP A 4 2.748 -32.862 14.858 1.00 0.00 H new ATOM 0 HA ASP A 4 0.400 -32.365 16.505 1.00 0.00 H new ATOM 0 HB2 ASP A 4 2.590 -30.624 15.314 1.00 0.00 H new ATOM 0 HB3 ASP A 4 1.186 -29.941 16.108 1.00 0.00 H new ATOM 58 N VAL A 5 -1.057 -31.102 14.867 1.00 0.00 N ATOM 59 CA VAL A 5 -1.967 -30.532 13.892 1.00 0.00 C ATOM 60 C VAL A 5 -1.464 -29.145 13.518 1.00 0.00 C ATOM 61 O VAL A 5 -0.819 -28.479 14.335 1.00 0.00 O ATOM 62 CB VAL A 5 -3.408 -30.443 14.451 1.00 0.00 C ATOM 63 CG1 VAL A 5 -4.379 -29.946 13.391 1.00 0.00 C ATOM 64 CG2 VAL A 5 -3.854 -31.792 14.993 1.00 0.00 C ATOM 0 H VAL A 5 -1.384 -31.041 15.831 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.997 -31.175 13.012 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.407 -29.723 15.269 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.383 -29.894 13.813 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -4.075 -28.955 13.055 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -4.376 -30.633 12.545 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -4.869 -31.710 15.382 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -3.830 -32.532 14.193 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -3.183 -32.102 15.794 1.00 0.00 H new ATOM 74 N ASP A 6 -1.732 -28.713 12.293 1.00 0.00 N ATOM 75 CA ASP A 6 -1.255 -27.416 11.832 1.00 0.00 C ATOM 76 C ASP A 6 -2.031 -26.293 12.517 1.00 0.00 C ATOM 77 O ASP A 6 -2.848 -26.544 13.408 1.00 0.00 O ATOM 78 CB ASP A 6 -1.382 -27.298 10.310 1.00 0.00 C ATOM 79 CG ASP A 6 -0.304 -26.419 9.710 1.00 0.00 C ATOM 80 OD1 ASP A 6 -0.461 -25.182 9.708 1.00 0.00 O ATOM 81 OD2 ASP A 6 0.724 -26.964 9.256 1.00 0.00 O ATOM 0 H ASP A 6 -2.273 -29.237 11.605 1.00 0.00 H new ATOM 0 HA ASP A 6 -0.201 -27.327 12.094 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -1.327 -28.291 9.865 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -2.361 -26.890 10.060 1.00 0.00 H new ATOM 86 N ILE A 7 -1.789 -25.062 12.099 1.00 0.00 N ATOM 87 CA ILE A 7 -2.391 -23.907 12.741 1.00 0.00 C ATOM 88 C ILE A 7 -3.876 -23.812 12.412 1.00 0.00 C ATOM 89 O ILE A 7 -4.259 -23.652 11.251 1.00 0.00 O ATOM 90 CB ILE A 7 -1.677 -22.600 12.331 1.00 0.00 C ATOM 91 CG1 ILE A 7 -0.192 -22.670 12.709 1.00 0.00 C ATOM 92 CG2 ILE A 7 -2.339 -21.392 12.983 1.00 0.00 C ATOM 93 CD1 ILE A 7 0.054 -22.905 14.186 1.00 0.00 C ATOM 0 H ILE A 7 -1.177 -24.837 11.315 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.277 -24.039 13.817 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.759 -22.486 11.250 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.281 -23.471 12.140 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.293 -21.740 12.413 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.819 -20.484 12.679 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.381 -21.335 12.670 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -2.291 -21.492 14.067 1.00 0.00 H new ATOM 0 HD11 ILE A 7 1.127 -22.942 14.375 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.388 -22.092 14.762 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.400 -23.850 14.485 1.00 0.00 H new ATOM 105 N GLN A 8 -4.704 -23.948 13.441 1.00 0.00 N ATOM 106 CA GLN A 8 -6.145 -23.829 13.288 1.00 0.00 C ATOM 107 C GLN A 8 -6.529 -22.399 12.925 1.00 0.00 C ATOM 108 O GLN A 8 -5.791 -21.453 13.211 1.00 0.00 O ATOM 109 CB GLN A 8 -6.851 -24.265 14.575 1.00 0.00 C ATOM 110 CG GLN A 8 -6.432 -23.475 15.804 1.00 0.00 C ATOM 111 CD GLN A 8 -7.053 -24.014 17.074 1.00 0.00 C ATOM 112 OE1 GLN A 8 -8.142 -23.602 17.471 1.00 0.00 O ATOM 113 NE2 GLN A 8 -6.363 -24.936 17.720 1.00 0.00 N ATOM 0 H GLN A 8 -4.398 -24.142 14.394 1.00 0.00 H new ATOM 0 HA GLN A 8 -6.464 -24.484 12.477 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -7.928 -24.164 14.440 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -6.650 -25.322 14.748 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -5.346 -23.499 15.895 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -6.719 -22.431 15.677 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.463 -25.249 17.355 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.730 -25.335 18.584 1.00 0.00 H new ATOM 122 N GLN A 9 -7.686 -22.246 12.303 1.00 0.00 N ATOM 123 CA GLN A 9 -8.114 -20.951 11.799 1.00 0.00 C ATOM 124 C GLN A 9 -8.712 -20.109 12.923 1.00 0.00 C ATOM 125 O GLN A 9 -9.922 -20.129 13.155 1.00 0.00 O ATOM 126 CB GLN A 9 -9.134 -21.108 10.661 1.00 0.00 C ATOM 127 CG GLN A 9 -8.690 -22.040 9.541 1.00 0.00 C ATOM 128 CD GLN A 9 -8.814 -23.505 9.910 1.00 0.00 C ATOM 129 OE1 GLN A 9 -9.691 -23.893 10.682 1.00 0.00 O ATOM 130 NE2 GLN A 9 -7.924 -24.323 9.383 1.00 0.00 N ATOM 0 H GLN A 9 -8.347 -23.004 12.134 1.00 0.00 H new ATOM 0 HA GLN A 9 -7.235 -20.442 11.404 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -10.070 -21.481 11.077 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -9.342 -20.125 10.238 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -9.289 -21.842 8.652 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -7.654 -21.822 9.283 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -7.213 -23.962 8.747 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -7.947 -25.317 9.611 1.00 0.00 H new ATOM 139 N SER A 10 -7.855 -19.386 13.626 1.00 0.00 N ATOM 140 CA SER A 10 -8.280 -18.550 14.740 1.00 0.00 C ATOM 141 C SER A 10 -8.597 -17.128 14.280 1.00 0.00 C ATOM 142 O SER A 10 -8.787 -16.233 15.103 1.00 0.00 O ATOM 143 CB SER A 10 -7.190 -18.545 15.815 1.00 0.00 C ATOM 144 OG SER A 10 -5.896 -18.577 15.227 1.00 0.00 O ATOM 0 H SER A 10 -6.852 -19.361 13.443 1.00 0.00 H new ATOM 0 HA SER A 10 -9.197 -18.964 15.159 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.290 -17.654 16.435 1.00 0.00 H new ATOM 0 HB3 SER A 10 -7.317 -19.406 16.471 1.00 0.00 H new ATOM 0 HG SER A 10 -5.216 -18.571 15.933 1.00 0.00 H new ATOM 150 N TYR A 11 -8.681 -16.948 12.960 1.00 0.00 N ATOM 151 CA TYR A 11 -8.979 -15.648 12.355 1.00 0.00 C ATOM 152 C TYR A 11 -7.882 -14.625 12.646 1.00 0.00 C ATOM 153 O TYR A 11 -7.977 -13.843 13.593 1.00 0.00 O ATOM 154 CB TYR A 11 -10.339 -15.107 12.820 1.00 0.00 C ATOM 155 CG TYR A 11 -11.523 -15.882 12.293 1.00 0.00 C ATOM 156 CD1 TYR A 11 -12.018 -15.641 11.020 1.00 0.00 C ATOM 157 CD2 TYR A 11 -12.152 -16.846 13.072 1.00 0.00 C ATOM 158 CE1 TYR A 11 -13.103 -16.342 10.532 1.00 0.00 C ATOM 159 CE2 TYR A 11 -13.239 -17.553 12.591 1.00 0.00 C ATOM 160 CZ TYR A 11 -13.712 -17.294 11.320 1.00 0.00 C ATOM 161 OH TYR A 11 -14.790 -17.998 10.828 1.00 0.00 O ATOM 0 H TYR A 11 -8.545 -17.698 12.282 1.00 0.00 H new ATOM 0 HA TYR A 11 -9.022 -15.807 11.278 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -10.368 -15.116 13.910 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -10.431 -14.067 12.507 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -11.547 -14.893 10.400 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -11.786 -17.046 14.068 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -13.473 -16.145 9.537 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -13.715 -18.303 13.206 1.00 0.00 H new ATOM 0 HH TYR A 11 -15.104 -18.632 11.506 1.00 0.00 H new ATOM 171 N PRO A 12 -6.811 -14.637 11.845 1.00 0.00 N ATOM 172 CA PRO A 12 -5.739 -13.662 11.945 1.00 0.00 C ATOM 173 C PRO A 12 -6.087 -12.386 11.190 1.00 0.00 C ATOM 174 O PRO A 12 -7.029 -12.366 10.395 1.00 0.00 O ATOM 175 CB PRO A 12 -4.538 -14.364 11.286 1.00 0.00 C ATOM 176 CG PRO A 12 -5.049 -15.674 10.761 1.00 0.00 C ATOM 177 CD PRO A 12 -6.551 -15.598 10.774 1.00 0.00 C ATOM 0 HA PRO A 12 -5.546 -13.362 12.975 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -4.127 -13.756 10.480 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -3.736 -14.521 12.007 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -4.681 -15.855 9.751 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -4.699 -16.500 11.380 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -6.948 -15.257 9.818 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -7.004 -16.568 10.980 1.00 0.00 H new ATOM 185 N PHE A 13 -5.333 -11.325 11.433 1.00 0.00 N ATOM 186 CA PHE A 13 -5.553 -10.083 10.717 1.00 0.00 C ATOM 187 C PHE A 13 -5.281 -10.304 9.238 1.00 0.00 C ATOM 188 O PHE A 13 -4.306 -10.959 8.872 1.00 0.00 O ATOM 189 CB PHE A 13 -4.642 -8.978 11.258 1.00 0.00 C ATOM 190 CG PHE A 13 -4.896 -8.634 12.700 1.00 0.00 C ATOM 191 CD1 PHE A 13 -5.875 -7.717 13.042 1.00 0.00 C ATOM 192 CD2 PHE A 13 -4.152 -9.225 13.711 1.00 0.00 C ATOM 193 CE1 PHE A 13 -6.112 -7.395 14.364 1.00 0.00 C ATOM 194 CE2 PHE A 13 -4.385 -8.906 15.035 1.00 0.00 C ATOM 195 CZ PHE A 13 -5.365 -7.989 15.363 1.00 0.00 C ATOM 0 H PHE A 13 -4.573 -11.300 12.113 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.588 -9.770 10.858 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -3.603 -9.289 11.146 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.774 -8.082 10.652 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -6.461 -7.248 12.265 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.383 -9.941 13.461 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -6.881 -6.680 14.617 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.801 -9.374 15.814 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.547 -7.737 16.397 1.00 0.00 H new ATOM 205 N SER A 14 -6.140 -9.758 8.395 1.00 0.00 N ATOM 206 CA SER A 14 -6.024 -9.949 6.961 1.00 0.00 C ATOM 207 C SER A 14 -6.459 -8.694 6.220 1.00 0.00 C ATOM 208 O SER A 14 -7.515 -8.134 6.500 1.00 0.00 O ATOM 209 CB SER A 14 -6.856 -11.163 6.526 1.00 0.00 C ATOM 210 OG SER A 14 -8.133 -11.159 7.146 1.00 0.00 O ATOM 0 H SER A 14 -6.928 -9.177 8.681 1.00 0.00 H new ATOM 0 HA SER A 14 -4.980 -10.139 6.711 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.975 -11.156 5.443 1.00 0.00 H new ATOM 0 HB3 SER A 14 -6.327 -12.081 6.783 1.00 0.00 H new ATOM 0 HG SER A 14 -8.643 -11.942 6.850 1.00 0.00 H new ATOM 216 N ILE A 15 -5.635 -8.237 5.292 1.00 0.00 N ATOM 217 CA ILE A 15 -5.933 -7.023 4.555 1.00 0.00 C ATOM 218 C ILE A 15 -6.354 -7.340 3.128 1.00 0.00 C ATOM 219 O ILE A 15 -5.587 -7.905 2.347 1.00 0.00 O ATOM 220 CB ILE A 15 -4.730 -6.062 4.561 1.00 0.00 C ATOM 221 CG1 ILE A 15 -4.370 -5.716 6.008 1.00 0.00 C ATOM 222 CG2 ILE A 15 -5.045 -4.798 3.765 1.00 0.00 C ATOM 223 CD1 ILE A 15 -3.147 -4.844 6.146 1.00 0.00 C ATOM 0 H ILE A 15 -4.757 -8.687 5.032 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.766 -6.529 5.055 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.878 -6.549 4.086 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.218 -5.211 6.471 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.208 -6.641 6.562 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.182 -4.133 3.782 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.277 -5.066 2.734 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.902 -4.292 4.210 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.959 -4.645 7.201 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.286 -5.354 5.714 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.311 -3.902 5.622 1.00 0.00 H new ATOM 235 N GLU A 16 -7.586 -6.983 2.815 1.00 0.00 N ATOM 236 CA GLU A 16 -8.171 -7.239 1.514 1.00 0.00 C ATOM 237 C GLU A 16 -7.927 -6.053 0.590 1.00 0.00 C ATOM 238 O GLU A 16 -8.434 -4.954 0.827 1.00 0.00 O ATOM 239 CB GLU A 16 -9.672 -7.488 1.684 1.00 0.00 C ATOM 240 CG GLU A 16 -10.386 -7.926 0.419 1.00 0.00 C ATOM 241 CD GLU A 16 -11.853 -8.216 0.665 1.00 0.00 C ATOM 242 OE1 GLU A 16 -12.155 -9.140 1.453 1.00 0.00 O ATOM 243 OE2 GLU A 16 -12.714 -7.517 0.089 1.00 0.00 O ATOM 0 H GLU A 16 -8.212 -6.504 3.462 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.708 -8.119 1.068 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.816 -8.250 2.450 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.139 -6.574 2.052 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.293 -7.147 -0.338 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.902 -8.818 0.020 1.00 0.00 H new ATOM 250 N THR A 17 -7.131 -6.269 -0.440 1.00 0.00 N ATOM 251 CA THR A 17 -6.841 -5.226 -1.406 1.00 0.00 C ATOM 252 C THR A 17 -7.746 -5.349 -2.626 1.00 0.00 C ATOM 253 O THR A 17 -7.952 -6.443 -3.155 1.00 0.00 O ATOM 254 CB THR A 17 -5.363 -5.272 -1.836 1.00 0.00 C ATOM 255 OG1 THR A 17 -4.917 -6.634 -1.935 1.00 0.00 O ATOM 256 CG2 THR A 17 -4.488 -4.525 -0.846 1.00 0.00 C ATOM 0 H THR A 17 -6.672 -7.160 -0.630 1.00 0.00 H new ATOM 0 HA THR A 17 -7.033 -4.266 -0.927 1.00 0.00 H new ATOM 0 HB THR A 17 -5.281 -4.791 -2.810 1.00 0.00 H new ATOM 0 HG1 THR A 17 -3.977 -6.651 -2.211 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.449 -4.572 -1.171 1.00 0.00 H new ATOM 0 HG22 THR A 17 -4.805 -3.484 -0.794 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.581 -4.983 0.139 1.00 0.00 H new ATOM 264 N MET A 18 -8.307 -4.225 -3.051 1.00 0.00 N ATOM 265 CA MET A 18 -9.178 -4.202 -4.217 1.00 0.00 C ATOM 266 C MET A 18 -8.365 -4.388 -5.495 1.00 0.00 C ATOM 267 O MET A 18 -7.227 -3.924 -5.584 1.00 0.00 O ATOM 268 CB MET A 18 -9.961 -2.887 -4.278 1.00 0.00 C ATOM 269 CG MET A 18 -10.866 -2.655 -3.076 1.00 0.00 C ATOM 270 SD MET A 18 -12.116 -3.940 -2.878 1.00 0.00 S ATOM 271 CE MET A 18 -12.921 -3.388 -1.375 1.00 0.00 C ATOM 0 H MET A 18 -8.174 -3.317 -2.605 1.00 0.00 H new ATOM 0 HA MET A 18 -9.886 -5.026 -4.130 1.00 0.00 H new ATOM 0 HB2 MET A 18 -9.257 -2.059 -4.356 1.00 0.00 H new ATOM 0 HB3 MET A 18 -10.566 -2.877 -5.184 1.00 0.00 H new ATOM 0 HG2 MET A 18 -10.257 -2.606 -2.173 1.00 0.00 H new ATOM 0 HG3 MET A 18 -11.359 -1.689 -3.180 1.00 0.00 H new ATOM 0 HE1 MET A 18 -13.723 -4.080 -1.116 1.00 0.00 H new ATOM 0 HE2 MET A 18 -12.194 -3.355 -0.564 1.00 0.00 H new ATOM 0 HE3 MET A 18 -13.337 -2.392 -1.530 1.00 0.00 H new ATOM 281 N PRO A 19 -8.942 -5.086 -6.493 1.00 0.00 N ATOM 282 CA PRO A 19 -8.272 -5.367 -7.771 1.00 0.00 C ATOM 283 C PRO A 19 -7.683 -4.114 -8.417 1.00 0.00 C ATOM 284 O PRO A 19 -8.356 -3.086 -8.542 1.00 0.00 O ATOM 285 CB PRO A 19 -9.394 -5.940 -8.640 1.00 0.00 C ATOM 286 CG PRO A 19 -10.349 -6.538 -7.670 1.00 0.00 C ATOM 287 CD PRO A 19 -10.299 -5.663 -6.450 1.00 0.00 C ATOM 0 HA PRO A 19 -7.424 -6.039 -7.643 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -9.870 -5.162 -9.237 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -9.014 -6.688 -9.336 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -11.356 -6.573 -8.085 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.069 -7.563 -7.427 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -11.065 -4.888 -6.480 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -10.462 -6.237 -5.538 1.00 0.00 H new ATOM 295 N VAL A 20 -6.424 -4.211 -8.820 1.00 0.00 N ATOM 296 CA VAL A 20 -5.715 -3.090 -9.417 1.00 0.00 C ATOM 297 C VAL A 20 -5.689 -3.206 -10.941 1.00 0.00 C ATOM 298 O VAL A 20 -5.935 -4.284 -11.491 1.00 0.00 O ATOM 299 CB VAL A 20 -4.264 -3.000 -8.884 1.00 0.00 C ATOM 300 CG1 VAL A 20 -4.261 -2.727 -7.388 1.00 0.00 C ATOM 301 CG2 VAL A 20 -3.489 -4.274 -9.197 1.00 0.00 C ATOM 0 H VAL A 20 -5.869 -5.063 -8.743 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.252 -2.183 -9.138 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.769 -2.170 -9.388 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.233 -2.667 -7.031 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.770 -1.784 -7.189 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.778 -3.534 -6.870 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.473 -4.186 -8.812 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.982 -5.125 -8.727 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.457 -4.424 -10.276 1.00 0.00 H new ATOM 311 N PRO A 21 -5.421 -2.087 -11.640 1.00 0.00 N ATOM 312 CA PRO A 21 -5.287 -2.072 -13.102 1.00 0.00 C ATOM 313 C PRO A 21 -4.114 -2.925 -13.584 1.00 0.00 C ATOM 314 O PRO A 21 -3.241 -3.299 -12.800 1.00 0.00 O ATOM 315 CB PRO A 21 -5.046 -0.594 -13.433 1.00 0.00 C ATOM 316 CG PRO A 21 -4.569 0.017 -12.162 1.00 0.00 C ATOM 317 CD PRO A 21 -5.248 -0.743 -11.062 1.00 0.00 C ATOM 0 HA PRO A 21 -6.167 -2.489 -13.592 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -4.306 -0.483 -14.225 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.960 -0.114 -13.782 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -3.485 -0.056 -12.076 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -4.822 1.076 -12.119 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.642 -0.769 -10.156 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -6.204 -0.294 -10.793 1.00 0.00 H new ATOM 325 N LYS A 22 -4.096 -3.222 -14.876 1.00 0.00 N ATOM 326 CA LYS A 22 -3.077 -4.096 -15.441 1.00 0.00 C ATOM 327 C LYS A 22 -1.853 -3.298 -15.869 1.00 0.00 C ATOM 328 O LYS A 22 -0.726 -3.793 -15.818 1.00 0.00 O ATOM 329 CB LYS A 22 -3.632 -4.868 -16.641 1.00 0.00 C ATOM 330 CG LYS A 22 -4.855 -5.717 -16.322 1.00 0.00 C ATOM 331 CD LYS A 22 -4.579 -6.727 -15.218 1.00 0.00 C ATOM 332 CE LYS A 22 -3.479 -7.711 -15.600 1.00 0.00 C ATOM 333 NZ LYS A 22 -3.802 -8.459 -16.846 1.00 0.00 N ATOM 0 H LYS A 22 -4.774 -2.871 -15.552 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.782 -4.805 -14.667 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.890 -4.159 -17.428 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.849 -5.513 -17.038 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -5.678 -5.068 -16.022 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -5.176 -6.243 -17.222 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -4.292 -6.199 -14.308 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -5.493 -7.276 -14.993 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.542 -7.171 -15.735 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -3.326 -8.417 -14.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.116 -9.230 -16.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.760 -8.857 -16.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.756 -7.814 -17.660 1.00 0.00 H new ATOM 347 N LYS A 23 -2.077 -2.063 -16.293 1.00 0.00 N ATOM 348 CA LYS A 23 -0.987 -1.202 -16.717 1.00 0.00 C ATOM 349 C LYS A 23 -1.171 0.198 -16.148 1.00 0.00 C ATOM 350 O LYS A 23 -2.299 0.647 -15.928 1.00 0.00 O ATOM 351 CB LYS A 23 -0.881 -1.141 -18.251 1.00 0.00 C ATOM 352 CG LYS A 23 -1.996 -0.356 -18.938 1.00 0.00 C ATOM 353 CD LYS A 23 -3.267 -1.172 -19.110 1.00 0.00 C ATOM 354 CE LYS A 23 -4.364 -0.342 -19.763 1.00 0.00 C ATOM 355 NZ LYS A 23 -5.529 -1.171 -20.168 1.00 0.00 N ATOM 0 H LYS A 23 -3.002 -1.637 -16.352 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.059 -1.626 -16.334 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.077 -0.694 -18.518 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.878 -2.158 -18.642 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.219 0.537 -18.355 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.650 -0.020 -19.915 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.059 -2.051 -19.720 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.607 -1.531 -18.139 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.694 0.431 -19.069 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.960 0.167 -20.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.250 -0.565 -20.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.221 -1.893 -20.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.932 -1.636 -19.330 1.00 0.00 H new ATOM 369 N LEU A 24 -0.064 0.882 -15.906 1.00 0.00 N ATOM 370 CA LEU A 24 -0.107 2.232 -15.371 1.00 0.00 C ATOM 371 C LEU A 24 0.710 3.175 -16.239 1.00 0.00 C ATOM 372 O LEU A 24 1.755 2.798 -16.770 1.00 0.00 O ATOM 373 CB LEU A 24 0.409 2.267 -13.931 1.00 0.00 C ATOM 374 CG LEU A 24 -0.516 1.640 -12.888 1.00 0.00 C ATOM 375 CD1 LEU A 24 0.132 1.689 -11.516 1.00 0.00 C ATOM 376 CD2 LEU A 24 -1.855 2.358 -12.867 1.00 0.00 C ATOM 0 H LEU A 24 0.876 0.523 -16.072 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.146 2.561 -15.373 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.370 1.754 -13.895 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.591 3.305 -13.653 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.688 0.598 -13.156 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.536 1.240 -10.782 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.072 1.137 -11.537 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.327 2.726 -11.242 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.502 1.899 -12.119 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.701 3.408 -12.619 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.324 2.282 -13.848 1.00 0.00 H new ATOM 388 N LYS A 25 0.216 4.395 -16.384 1.00 0.00 N ATOM 389 CA LYS A 25 0.885 5.421 -17.172 1.00 0.00 C ATOM 390 C LYS A 25 1.685 6.340 -16.258 1.00 0.00 C ATOM 391 O LYS A 25 1.500 6.319 -15.040 1.00 0.00 O ATOM 392 CB LYS A 25 -0.158 6.233 -17.945 1.00 0.00 C ATOM 393 CG LYS A 25 -0.978 5.400 -18.919 1.00 0.00 C ATOM 394 CD LYS A 25 -2.275 6.096 -19.304 1.00 0.00 C ATOM 395 CE LYS A 25 -2.030 7.448 -19.956 1.00 0.00 C ATOM 396 NZ LYS A 25 -3.302 8.157 -20.240 1.00 0.00 N ATOM 0 H LYS A 25 -0.659 4.702 -15.960 1.00 0.00 H new ATOM 0 HA LYS A 25 1.567 4.945 -17.877 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.831 6.714 -17.235 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.347 7.028 -18.495 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.390 5.205 -19.816 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.204 4.433 -18.470 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.837 5.461 -19.989 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.891 6.230 -18.415 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.410 8.061 -19.302 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.475 7.310 -20.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.096 9.075 -20.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.883 7.583 -20.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.820 8.311 -19.351 1.00 0.00 H new ATOM 410 N VAL A 26 2.570 7.139 -16.835 1.00 0.00 N ATOM 411 CA VAL A 26 3.338 8.099 -16.056 1.00 0.00 C ATOM 412 C VAL A 26 2.424 9.216 -15.562 1.00 0.00 C ATOM 413 O VAL A 26 1.871 9.977 -16.356 1.00 0.00 O ATOM 414 CB VAL A 26 4.501 8.705 -16.871 1.00 0.00 C ATOM 415 CG1 VAL A 26 5.292 9.691 -16.027 1.00 0.00 C ATOM 416 CG2 VAL A 26 5.410 7.608 -17.405 1.00 0.00 C ATOM 0 H VAL A 26 2.774 7.142 -17.834 1.00 0.00 H new ATOM 0 HA VAL A 26 3.767 7.565 -15.208 1.00 0.00 H new ATOM 0 HB VAL A 26 4.079 9.244 -17.719 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.107 10.106 -16.620 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.636 10.497 -15.698 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.702 9.178 -15.157 1.00 0.00 H new ATOM 0 HG21 VAL A 26 6.223 8.055 -17.976 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.822 7.039 -16.572 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.837 6.942 -18.050 1.00 0.00 H new ATOM 426 N GLY A 27 2.253 9.289 -14.253 1.00 0.00 N ATOM 427 CA GLY A 27 1.354 10.265 -13.678 1.00 0.00 C ATOM 428 C GLY A 27 0.004 9.663 -13.353 1.00 0.00 C ATOM 429 O GLY A 27 -0.867 10.331 -12.792 1.00 0.00 O ATOM 0 H GLY A 27 2.722 8.688 -13.576 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.796 10.676 -12.771 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.224 11.094 -14.374 1.00 0.00 H new ATOM 433 N GLU A 28 -0.167 8.396 -13.703 1.00 0.00 N ATOM 434 CA GLU A 28 -1.416 7.697 -13.450 1.00 0.00 C ATOM 435 C GLU A 28 -1.437 7.161 -12.023 1.00 0.00 C ATOM 436 O GLU A 28 -0.531 6.436 -11.611 1.00 0.00 O ATOM 437 CB GLU A 28 -1.590 6.550 -14.449 1.00 0.00 C ATOM 438 CG GLU A 28 -2.924 5.830 -14.339 1.00 0.00 C ATOM 439 CD GLU A 28 -4.099 6.737 -14.630 1.00 0.00 C ATOM 440 OE1 GLU A 28 -4.495 7.511 -13.735 1.00 0.00 O ATOM 441 OE2 GLU A 28 -4.638 6.681 -15.753 1.00 0.00 O ATOM 0 H GLU A 28 0.546 7.831 -14.164 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.242 8.397 -13.574 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.484 6.943 -15.460 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.786 5.829 -14.301 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.938 4.990 -15.033 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.028 5.417 -13.336 1.00 0.00 H new ATOM 448 N THR A 29 -2.467 7.517 -11.277 1.00 0.00 N ATOM 449 CA THR A 29 -2.576 7.106 -9.887 1.00 0.00 C ATOM 450 C THR A 29 -3.591 5.979 -9.726 1.00 0.00 C ATOM 451 O THR A 29 -4.772 6.139 -10.045 1.00 0.00 O ATOM 452 CB THR A 29 -2.983 8.291 -8.992 1.00 0.00 C ATOM 453 OG1 THR A 29 -2.102 9.399 -9.219 1.00 0.00 O ATOM 454 CG2 THR A 29 -2.948 7.906 -7.520 1.00 0.00 C ATOM 0 H THR A 29 -3.242 8.091 -11.610 1.00 0.00 H new ATOM 0 HA THR A 29 -1.595 6.746 -9.578 1.00 0.00 H new ATOM 0 HB THR A 29 -4.004 8.574 -9.250 1.00 0.00 H new ATOM 0 HG1 THR A 29 -2.367 10.150 -8.648 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.240 8.763 -6.913 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.640 7.083 -7.343 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.939 7.596 -7.249 1.00 0.00 H new ATOM 462 N ALA A 30 -3.124 4.839 -9.247 1.00 0.00 N ATOM 463 CA ALA A 30 -3.996 3.708 -8.985 1.00 0.00 C ATOM 464 C ALA A 30 -4.458 3.725 -7.535 1.00 0.00 C ATOM 465 O ALA A 30 -3.637 3.748 -6.616 1.00 0.00 O ATOM 466 CB ALA A 30 -3.281 2.402 -9.302 1.00 0.00 C ATOM 0 H ALA A 30 -2.141 4.672 -9.031 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.872 3.785 -9.629 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.948 1.564 -9.100 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.992 2.391 -10.353 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.390 2.315 -8.680 1.00 0.00 H new ATOM 472 N GLU A 31 -5.768 3.738 -7.331 1.00 0.00 N ATOM 473 CA GLU A 31 -6.322 3.731 -5.987 1.00 0.00 C ATOM 474 C GLU A 31 -6.454 2.304 -5.480 1.00 0.00 C ATOM 475 O GLU A 31 -7.379 1.580 -5.856 1.00 0.00 O ATOM 476 CB GLU A 31 -7.687 4.423 -5.935 1.00 0.00 C ATOM 477 CG GLU A 31 -8.286 4.453 -4.533 1.00 0.00 C ATOM 478 CD GLU A 31 -9.686 5.025 -4.490 1.00 0.00 C ATOM 479 OE1 GLU A 31 -9.827 6.251 -4.323 1.00 0.00 O ATOM 480 OE2 GLU A 31 -10.655 4.244 -4.616 1.00 0.00 O ATOM 0 H GLU A 31 -6.464 3.753 -8.077 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.636 4.285 -5.347 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.585 5.444 -6.303 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.375 3.909 -6.607 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.303 3.440 -4.131 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.640 5.043 -3.883 1.00 0.00 H new ATOM 487 N ILE A 32 -5.518 1.900 -4.647 1.00 0.00 N ATOM 488 CA ILE A 32 -5.569 0.593 -4.033 1.00 0.00 C ATOM 489 C ILE A 32 -6.262 0.701 -2.684 1.00 0.00 C ATOM 490 O ILE A 32 -5.659 1.121 -1.695 1.00 0.00 O ATOM 491 CB ILE A 32 -4.155 0.003 -3.835 1.00 0.00 C ATOM 492 CG1 ILE A 32 -3.366 0.046 -5.150 1.00 0.00 C ATOM 493 CG2 ILE A 32 -4.247 -1.426 -3.316 1.00 0.00 C ATOM 494 CD1 ILE A 32 -1.934 -0.433 -5.020 1.00 0.00 C ATOM 0 H ILE A 32 -4.710 2.462 -4.380 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.124 -0.072 -4.695 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.627 0.607 -3.097 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -3.879 -0.568 -5.891 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.364 1.068 -5.529 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.243 -1.829 -3.181 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.772 -1.433 -2.361 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.791 -2.040 -4.034 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.441 -0.373 -5.990 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.404 0.195 -4.304 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.926 -1.466 -4.672 1.00 0.00 H new ATOM 506 N ARG A 33 -7.538 0.359 -2.646 1.00 0.00 N ATOM 507 CA ARG A 33 -8.281 0.405 -1.401 1.00 0.00 C ATOM 508 C ARG A 33 -8.010 -0.853 -0.599 1.00 0.00 C ATOM 509 O ARG A 33 -8.153 -1.968 -1.105 1.00 0.00 O ATOM 510 CB ARG A 33 -9.782 0.561 -1.651 1.00 0.00 C ATOM 511 CG ARG A 33 -10.593 0.696 -0.373 1.00 0.00 C ATOM 512 CD ARG A 33 -12.068 0.916 -0.660 1.00 0.00 C ATOM 513 NE ARG A 33 -12.856 0.961 0.572 1.00 0.00 N ATOM 514 CZ ARG A 33 -14.184 1.080 0.609 1.00 0.00 C ATOM 515 NH1 ARG A 33 -14.879 1.235 -0.513 1.00 0.00 N ATOM 516 NH2 ARG A 33 -14.812 1.068 1.779 1.00 0.00 N ATOM 0 H ARG A 33 -8.076 0.049 -3.455 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.948 1.276 -0.836 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -9.950 1.439 -2.274 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -10.142 -0.302 -2.212 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.471 -0.203 0.231 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -10.209 1.530 0.215 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -12.197 1.849 -1.209 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -12.438 0.115 -1.300 1.00 0.00 H new ATOM 0 HE ARG A 33 -12.358 0.897 1.460 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -14.397 1.264 -1.412 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -15.894 1.325 -0.476 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -14.279 0.968 2.643 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -15.827 1.159 1.814 1.00 0.00 H new ATOM 530 N CYS A 34 -7.602 -0.667 0.640 1.00 0.00 N ATOM 531 CA CYS A 34 -7.267 -1.779 1.503 1.00 0.00 C ATOM 532 C CYS A 34 -8.263 -1.878 2.649 1.00 0.00 C ATOM 533 O CYS A 34 -8.525 -0.895 3.345 1.00 0.00 O ATOM 534 CB CYS A 34 -5.849 -1.606 2.044 1.00 0.00 C ATOM 535 SG CYS A 34 -4.599 -1.367 0.759 1.00 0.00 S ATOM 0 H CYS A 34 -7.494 0.250 1.073 1.00 0.00 H new ATOM 0 HA CYS A 34 -7.315 -2.702 0.925 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -5.830 -0.751 2.719 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -5.586 -2.484 2.634 1.00 0.00 H new ATOM 0 HG CYS A 34 -5.007 -0.462 -0.081 1.00 0.00 H new ATOM 541 N GLN A 35 -8.836 -3.058 2.818 1.00 0.00 N ATOM 542 CA GLN A 35 -9.772 -3.304 3.901 1.00 0.00 C ATOM 543 C GLN A 35 -9.172 -4.305 4.879 1.00 0.00 C ATOM 544 O GLN A 35 -8.993 -5.475 4.544 1.00 0.00 O ATOM 545 CB GLN A 35 -11.091 -3.849 3.342 1.00 0.00 C ATOM 546 CG GLN A 35 -12.193 -3.981 4.382 1.00 0.00 C ATOM 547 CD GLN A 35 -12.728 -2.641 4.838 1.00 0.00 C ATOM 548 OE1 GLN A 35 -12.738 -1.672 4.078 1.00 0.00 O ATOM 549 NE2 GLN A 35 -13.172 -2.575 6.082 1.00 0.00 N ATOM 0 H GLN A 35 -8.668 -3.864 2.216 1.00 0.00 H new ATOM 0 HA GLN A 35 -9.970 -2.367 4.421 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -11.435 -3.192 2.544 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -10.909 -4.826 2.894 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -13.010 -4.572 3.967 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -11.810 -4.527 5.244 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -13.145 -3.403 6.678 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -13.541 -1.697 6.446 1.00 0.00 H new ATOM 558 N LEU A 36 -8.854 -3.850 6.076 1.00 0.00 N ATOM 559 CA LEU A 36 -8.288 -4.725 7.086 1.00 0.00 C ATOM 560 C LEU A 36 -9.399 -5.413 7.861 1.00 0.00 C ATOM 561 O LEU A 36 -10.274 -4.759 8.428 1.00 0.00 O ATOM 562 CB LEU A 36 -7.365 -3.938 8.027 1.00 0.00 C ATOM 563 CG LEU A 36 -6.594 -4.769 9.058 1.00 0.00 C ATOM 564 CD1 LEU A 36 -5.257 -4.116 9.356 1.00 0.00 C ATOM 565 CD2 LEU A 36 -7.393 -4.916 10.345 1.00 0.00 C ATOM 0 H LEU A 36 -8.977 -2.882 6.373 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.688 -5.490 6.593 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.645 -3.387 7.422 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.965 -3.200 8.559 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.427 -5.762 8.640 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.716 -4.713 10.090 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.672 -4.050 8.439 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.422 -3.115 9.754 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.824 -5.510 11.061 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.589 -3.930 10.766 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.339 -5.414 10.131 1.00 0.00 H new ATOM 577 N HIS A 37 -9.364 -6.732 7.862 1.00 0.00 N ATOM 578 CA HIS A 37 -10.361 -7.522 8.562 1.00 0.00 C ATOM 579 C HIS A 37 -9.999 -7.604 10.040 1.00 0.00 C ATOM 580 O HIS A 37 -9.035 -8.272 10.418 1.00 0.00 O ATOM 581 CB HIS A 37 -10.448 -8.924 7.952 1.00 0.00 C ATOM 582 CG HIS A 37 -11.772 -9.600 8.159 1.00 0.00 C ATOM 583 ND1 HIS A 37 -11.986 -10.581 9.098 1.00 0.00 N ATOM 584 CD2 HIS A 37 -12.950 -9.447 7.509 1.00 0.00 C ATOM 585 CE1 HIS A 37 -13.233 -11.003 9.015 1.00 0.00 C ATOM 586 NE2 HIS A 37 -13.841 -10.333 8.058 1.00 0.00 N ATOM 0 H HIS A 37 -8.651 -7.283 7.383 1.00 0.00 H new ATOM 0 HA HIS A 37 -11.336 -7.044 8.462 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -10.250 -8.856 6.882 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -9.663 -9.546 8.383 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -11.289 -10.929 9.757 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -13.151 -8.754 6.705 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -13.681 -11.770 9.629 1.00 0.00 H new ATOM 595 N ARG A 38 -10.752 -6.895 10.864 1.00 0.00 N ATOM 596 CA ARG A 38 -10.487 -6.855 12.292 1.00 0.00 C ATOM 597 C ARG A 38 -11.225 -7.987 12.994 1.00 0.00 C ATOM 598 O ARG A 38 -12.447 -7.954 13.130 1.00 0.00 O ATOM 599 CB ARG A 38 -10.912 -5.504 12.874 1.00 0.00 C ATOM 600 CG ARG A 38 -10.607 -5.351 14.356 1.00 0.00 C ATOM 601 CD ARG A 38 -9.111 -5.249 14.613 1.00 0.00 C ATOM 602 NE ARG A 38 -8.795 -5.384 16.034 1.00 0.00 N ATOM 603 CZ ARG A 38 -7.959 -4.584 16.700 1.00 0.00 C ATOM 604 NH1 ARG A 38 -7.344 -3.579 16.079 1.00 0.00 N ATOM 605 NH2 ARG A 38 -7.748 -4.794 17.995 1.00 0.00 N ATOM 0 H ARG A 38 -11.553 -6.338 10.568 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.416 -6.981 12.453 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -10.409 -4.708 12.325 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -11.983 -5.372 12.717 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -11.104 -4.460 14.740 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.013 -6.203 14.901 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -8.592 -6.024 14.050 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -8.744 -4.290 14.248 1.00 0.00 H new ATOM 0 HE ARG A 38 -9.243 -6.140 16.551 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -7.510 -3.415 15.086 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.707 -2.973 16.596 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -8.223 -5.561 18.471 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -7.111 -4.188 18.513 1.00 0.00 H new ATOM 619 N ASP A 39 -10.478 -8.996 13.415 1.00 0.00 N ATOM 620 CA ASP A 39 -11.060 -10.134 14.115 1.00 0.00 C ATOM 621 C ASP A 39 -10.652 -10.145 15.578 1.00 0.00 C ATOM 622 O ASP A 39 -11.500 -10.211 16.468 1.00 0.00 O ATOM 623 CB ASP A 39 -10.645 -11.448 13.450 1.00 0.00 C ATOM 624 CG ASP A 39 -11.262 -11.621 12.080 1.00 0.00 C ATOM 625 OD1 ASP A 39 -12.459 -11.975 12.005 1.00 0.00 O ATOM 626 OD2 ASP A 39 -10.562 -11.396 11.074 1.00 0.00 O ATOM 0 H ASP A 39 -9.468 -9.051 13.285 1.00 0.00 H new ATOM 0 HA ASP A 39 -12.144 -10.036 14.059 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -9.559 -11.481 13.363 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.939 -12.283 14.086 1.00 0.00 H new ATOM 631 N GLY A 40 -9.347 -10.086 15.819 1.00 0.00 N ATOM 632 CA GLY A 40 -8.835 -10.105 17.175 1.00 0.00 C ATOM 633 C GLY A 40 -9.329 -8.934 18.001 1.00 0.00 C ATOM 634 O GLY A 40 -9.020 -7.775 17.703 1.00 0.00 O ATOM 0 H GLY A 40 -8.632 -10.025 15.094 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.131 -11.036 17.658 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.745 -10.092 17.148 1.00 0.00 H new ATOM 638 N ARG A 41 -10.104 -9.231 19.033 1.00 0.00 N ATOM 639 CA ARG A 41 -10.624 -8.199 19.916 1.00 0.00 C ATOM 640 C ARG A 41 -9.729 -8.035 21.133 1.00 0.00 C ATOM 641 O ARG A 41 -9.717 -8.873 22.036 1.00 0.00 O ATOM 642 CB ARG A 41 -12.054 -8.511 20.354 1.00 0.00 C ATOM 643 CG ARG A 41 -13.051 -8.507 19.211 1.00 0.00 C ATOM 644 CD ARG A 41 -14.478 -8.578 19.723 1.00 0.00 C ATOM 645 NE ARG A 41 -14.830 -7.410 20.531 1.00 0.00 N ATOM 646 CZ ARG A 41 -16.037 -6.853 20.546 1.00 0.00 C ATOM 647 NH1 ARG A 41 -17.027 -7.387 19.843 1.00 0.00 N ATOM 648 NH2 ARG A 41 -16.258 -5.779 21.292 1.00 0.00 N ATOM 0 H ARG A 41 -10.387 -10.179 19.280 1.00 0.00 H new ATOM 0 HA ARG A 41 -10.636 -7.263 19.358 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -12.072 -9.487 20.838 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -12.365 -7.779 21.100 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -12.921 -7.604 18.615 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -12.856 -9.354 18.553 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -15.163 -8.654 18.878 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -14.605 -9.482 20.318 1.00 0.00 H new ATOM 0 HE ARG A 41 -14.105 -6.998 21.119 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -16.863 -8.227 19.289 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -17.952 -6.957 19.857 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -15.503 -5.383 21.852 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -17.183 -5.349 21.306 1.00 0.00 H new ATOM 662 N PHE A 42 -8.976 -6.954 21.125 1.00 0.00 N ATOM 663 CA PHE A 42 -8.058 -6.616 22.201 1.00 0.00 C ATOM 664 C PHE A 42 -8.036 -5.101 22.331 1.00 0.00 C ATOM 665 O PHE A 42 -9.032 -4.441 22.028 1.00 0.00 O ATOM 666 CB PHE A 42 -6.642 -7.135 21.891 1.00 0.00 C ATOM 667 CG PHE A 42 -6.540 -8.629 21.736 1.00 0.00 C ATOM 668 CD1 PHE A 42 -6.478 -9.450 22.849 1.00 0.00 C ATOM 669 CD2 PHE A 42 -6.496 -9.207 20.477 1.00 0.00 C ATOM 670 CE1 PHE A 42 -6.376 -10.821 22.711 1.00 0.00 C ATOM 671 CE2 PHE A 42 -6.394 -10.577 20.332 1.00 0.00 C ATOM 672 CZ PHE A 42 -6.335 -11.386 21.450 1.00 0.00 C ATOM 0 H PHE A 42 -8.982 -6.275 20.363 1.00 0.00 H new ATOM 0 HA PHE A 42 -8.387 -7.080 23.131 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -6.289 -6.663 20.974 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -5.971 -6.820 22.690 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -6.510 -9.014 23.836 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -6.542 -8.579 19.599 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -6.328 -11.451 23.587 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.360 -11.015 19.345 1.00 0.00 H new ATOM 0 HZ PHE A 42 -6.257 -12.457 21.339 1.00 0.00 H new ATOM 682 N GLU A 43 -6.918 -4.545 22.766 1.00 0.00 N ATOM 683 CA GLU A 43 -6.732 -3.104 22.724 1.00 0.00 C ATOM 684 C GLU A 43 -6.677 -2.638 21.271 1.00 0.00 C ATOM 685 O GLU A 43 -6.680 -3.459 20.341 1.00 0.00 O ATOM 686 CB GLU A 43 -5.440 -2.708 23.442 1.00 0.00 C ATOM 687 CG GLU A 43 -4.188 -3.293 22.805 1.00 0.00 C ATOM 688 CD GLU A 43 -2.925 -2.894 23.533 1.00 0.00 C ATOM 689 OE1 GLU A 43 -2.420 -1.778 23.294 1.00 0.00 O ATOM 690 OE2 GLU A 43 -2.430 -3.692 24.355 1.00 0.00 O ATOM 0 H GLU A 43 -6.129 -5.066 23.150 1.00 0.00 H new ATOM 0 HA GLU A 43 -7.571 -2.627 23.230 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -5.358 -1.621 23.453 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.496 -3.034 24.481 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.266 -4.380 22.790 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.125 -2.964 21.768 1.00 0.00 H new ATOM 697 N GLU A 44 -6.620 -1.334 21.064 1.00 0.00 N ATOM 698 CA GLU A 44 -6.490 -0.803 19.723 1.00 0.00 C ATOM 699 C GLU A 44 -5.052 -0.923 19.249 1.00 0.00 C ATOM 700 O GLU A 44 -4.307 0.061 19.206 1.00 0.00 O ATOM 701 CB GLU A 44 -6.955 0.648 19.639 1.00 0.00 C ATOM 702 CG GLU A 44 -8.442 0.828 19.882 1.00 0.00 C ATOM 703 CD GLU A 44 -8.923 2.201 19.474 1.00 0.00 C ATOM 704 OE1 GLU A 44 -8.758 3.152 20.259 1.00 0.00 O ATOM 705 OE2 GLU A 44 -9.456 2.343 18.356 1.00 0.00 O ATOM 0 H GLU A 44 -6.661 -0.631 21.802 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.134 -1.392 19.071 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.403 1.240 20.369 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.707 1.043 18.654 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.994 0.071 19.325 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -8.658 0.668 20.938 1.00 0.00 H new ATOM 712 N THR A 45 -4.658 -2.157 18.967 1.00 0.00 N ATOM 713 CA THR A 45 -3.380 -2.433 18.342 1.00 0.00 C ATOM 714 C THR A 45 -3.284 -1.628 17.046 1.00 0.00 C ATOM 715 O THR A 45 -4.277 -1.465 16.330 1.00 0.00 O ATOM 716 CB THR A 45 -3.202 -3.952 18.078 1.00 0.00 C ATOM 717 OG1 THR A 45 -1.872 -4.234 17.637 1.00 0.00 O ATOM 718 CG2 THR A 45 -4.194 -4.457 17.042 1.00 0.00 C ATOM 0 H THR A 45 -5.215 -2.988 19.165 1.00 0.00 H new ATOM 0 HA THR A 45 -2.575 -2.134 19.013 1.00 0.00 H new ATOM 0 HB THR A 45 -3.390 -4.468 19.020 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.874 -5.047 17.090 1.00 0.00 H new ATOM 0 HG21 THR A 45 -4.041 -5.524 16.882 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.210 -4.285 17.397 1.00 0.00 H new ATOM 0 HG23 THR A 45 -4.043 -3.924 16.103 1.00 0.00 H new ATOM 726 N LYS A 46 -2.111 -1.094 16.766 1.00 0.00 N ATOM 727 CA LYS A 46 -1.972 -0.126 15.696 1.00 0.00 C ATOM 728 C LYS A 46 -1.255 -0.714 14.500 1.00 0.00 C ATOM 729 O LYS A 46 -0.284 -1.460 14.637 1.00 0.00 O ATOM 730 CB LYS A 46 -1.253 1.121 16.206 1.00 0.00 C ATOM 731 CG LYS A 46 -2.040 1.846 17.285 1.00 0.00 C ATOM 732 CD LYS A 46 -1.285 3.039 17.838 1.00 0.00 C ATOM 733 CE LYS A 46 -2.077 3.723 18.939 1.00 0.00 C ATOM 734 NZ LYS A 46 -2.391 2.794 20.059 1.00 0.00 N ATOM 0 H LYS A 46 -1.246 -1.312 17.261 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.971 0.156 15.364 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.277 0.838 16.601 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.075 1.800 15.372 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.994 2.179 16.875 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.266 1.153 18.096 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.320 2.714 18.227 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.083 3.749 17.036 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.509 4.572 19.320 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.004 4.119 18.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.716 3.340 20.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.139 2.135 19.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.538 2.257 20.314 1.00 0.00 H new ATOM 748 N TYR A 47 -1.742 -0.352 13.327 1.00 0.00 N ATOM 749 CA TYR A 47 -1.232 -0.887 12.083 1.00 0.00 C ATOM 750 C TYR A 47 -0.232 0.091 11.480 1.00 0.00 C ATOM 751 O TYR A 47 -0.442 1.305 11.511 1.00 0.00 O ATOM 752 CB TYR A 47 -2.389 -1.122 11.105 1.00 0.00 C ATOM 753 CG TYR A 47 -3.706 -1.468 11.777 1.00 0.00 C ATOM 754 CD1 TYR A 47 -3.971 -2.755 12.228 1.00 0.00 C ATOM 755 CD2 TYR A 47 -4.685 -0.496 11.957 1.00 0.00 C ATOM 756 CE1 TYR A 47 -5.174 -3.063 12.838 1.00 0.00 C ATOM 757 CE2 TYR A 47 -5.888 -0.798 12.567 1.00 0.00 C ATOM 758 CZ TYR A 47 -6.128 -2.081 13.007 1.00 0.00 C ATOM 759 OH TYR A 47 -7.330 -2.383 13.613 1.00 0.00 O ATOM 0 H TYR A 47 -2.501 0.320 13.213 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.733 -1.837 12.276 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.526 -0.226 10.499 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.117 -1.929 10.424 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -3.227 -3.527 12.100 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -4.502 0.512 11.614 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -5.366 -4.069 13.181 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -6.637 -0.031 12.698 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.987 -1.688 13.400 1.00 0.00 H new ATOM 769 N PHE A 48 0.859 -0.432 10.953 1.00 0.00 N ATOM 770 CA PHE A 48 1.896 0.391 10.358 1.00 0.00 C ATOM 771 C PHE A 48 2.181 -0.065 8.932 1.00 0.00 C ATOM 772 O PHE A 48 2.034 -1.245 8.606 1.00 0.00 O ATOM 773 CB PHE A 48 3.174 0.315 11.194 1.00 0.00 C ATOM 774 CG PHE A 48 2.991 0.714 12.632 1.00 0.00 C ATOM 775 CD1 PHE A 48 2.900 2.050 12.988 1.00 0.00 C ATOM 776 CD2 PHE A 48 2.911 -0.248 13.627 1.00 0.00 C ATOM 777 CE1 PHE A 48 2.732 2.419 14.310 1.00 0.00 C ATOM 778 CE2 PHE A 48 2.745 0.115 14.950 1.00 0.00 C ATOM 779 CZ PHE A 48 2.654 1.449 15.291 1.00 0.00 C ATOM 0 H PHE A 48 1.051 -1.433 10.925 1.00 0.00 H new ATOM 0 HA PHE A 48 1.548 1.424 10.334 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.560 -0.704 11.157 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.929 0.958 10.743 1.00 0.00 H new ATOM 0 HD1 PHE A 48 2.961 2.811 12.225 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.979 -1.294 13.365 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.662 3.464 14.575 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.687 -0.644 15.716 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.522 1.735 16.324 1.00 0.00 H new ATOM 789 N ILE A 49 2.587 0.870 8.088 1.00 0.00 N ATOM 790 CA ILE A 49 2.870 0.572 6.696 1.00 0.00 C ATOM 791 C ILE A 49 4.311 0.938 6.343 1.00 0.00 C ATOM 792 O ILE A 49 4.813 1.999 6.724 1.00 0.00 O ATOM 793 CB ILE A 49 1.884 1.304 5.755 1.00 0.00 C ATOM 794 CG1 ILE A 49 2.119 0.899 4.296 1.00 0.00 C ATOM 795 CG2 ILE A 49 1.997 2.818 5.915 1.00 0.00 C ATOM 796 CD1 ILE A 49 1.101 1.478 3.339 1.00 0.00 C ATOM 0 H ILE A 49 2.728 1.847 8.346 1.00 0.00 H new ATOM 0 HA ILE A 49 2.741 -0.501 6.556 1.00 0.00 H new ATOM 0 HB ILE A 49 0.873 1.007 6.035 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.115 1.221 3.993 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.099 -0.188 4.221 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.293 3.308 5.242 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.767 3.093 6.944 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.011 3.135 5.673 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.328 1.151 2.324 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.104 1.135 3.617 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.136 2.566 3.385 1.00 0.00 H new ATOM 808 N ARG A 50 4.972 0.033 5.641 1.00 0.00 N ATOM 809 CA ARG A 50 6.349 0.227 5.210 1.00 0.00 C ATOM 810 C ARG A 50 6.600 -0.595 3.956 1.00 0.00 C ATOM 811 O ARG A 50 6.490 -1.815 3.983 1.00 0.00 O ATOM 812 CB ARG A 50 7.304 -0.196 6.329 1.00 0.00 C ATOM 813 CG ARG A 50 8.763 -0.274 5.914 1.00 0.00 C ATOM 814 CD ARG A 50 9.641 -0.724 7.074 1.00 0.00 C ATOM 815 NE ARG A 50 9.132 -1.941 7.712 1.00 0.00 N ATOM 816 CZ ARG A 50 9.893 -2.970 8.094 1.00 0.00 C ATOM 817 NH1 ARG A 50 11.207 -2.949 7.909 1.00 0.00 N ATOM 818 NH2 ARG A 50 9.336 -4.025 8.671 1.00 0.00 N ATOM 0 H ARG A 50 4.570 -0.859 5.353 1.00 0.00 H new ATOM 0 HA ARG A 50 6.523 1.280 4.986 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.211 0.509 7.155 1.00 0.00 H new ATOM 0 HB3 ARG A 50 6.994 -1.171 6.706 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.871 -0.970 5.082 1.00 0.00 H new ATOM 0 HG3 ARG A 50 9.096 0.701 5.559 1.00 0.00 H new ATOM 0 HD2 ARG A 50 10.654 -0.901 6.713 1.00 0.00 H new ATOM 0 HD3 ARG A 50 9.701 0.074 7.814 1.00 0.00 H new ATOM 0 HE ARG A 50 8.127 -2.007 7.876 1.00 0.00 H new ATOM 0 HH11 ARG A 50 11.647 -2.140 7.470 1.00 0.00 H new ATOM 0 HH12 ARG A 50 11.776 -3.742 8.205 1.00 0.00 H new ATOM 0 HH21 ARG A 50 8.328 -4.050 8.823 1.00 0.00 H new ATOM 0 HH22 ARG A 50 9.916 -4.812 8.963 1.00 0.00 H new ATOM 832 N TYR A 51 6.912 0.058 2.852 1.00 0.00 N ATOM 833 CA TYR A 51 7.093 -0.663 1.607 1.00 0.00 C ATOM 834 C TYR A 51 8.549 -0.664 1.175 1.00 0.00 C ATOM 835 O TYR A 51 9.320 0.235 1.516 1.00 0.00 O ATOM 836 CB TYR A 51 6.202 -0.088 0.495 1.00 0.00 C ATOM 837 CG TYR A 51 6.601 1.283 -0.011 1.00 0.00 C ATOM 838 CD1 TYR A 51 7.482 1.424 -1.079 1.00 0.00 C ATOM 839 CD2 TYR A 51 6.083 2.439 0.563 1.00 0.00 C ATOM 840 CE1 TYR A 51 7.835 2.670 -1.557 1.00 0.00 C ATOM 841 CE2 TYR A 51 6.429 3.688 0.085 1.00 0.00 C ATOM 842 CZ TYR A 51 7.306 3.799 -0.972 1.00 0.00 C ATOM 843 OH TYR A 51 7.651 5.042 -1.452 1.00 0.00 O ATOM 0 H TYR A 51 7.043 1.068 2.791 1.00 0.00 H new ATOM 0 HA TYR A 51 6.792 -1.695 1.784 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.205 -0.782 -0.345 1.00 0.00 H new ATOM 0 HB3 TYR A 51 5.177 -0.037 0.863 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.898 0.542 -1.543 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.400 2.359 1.395 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.522 2.759 -2.385 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.013 4.575 0.539 1.00 0.00 H new ATOM 0 HH TYR A 51 7.242 5.734 -0.891 1.00 0.00 H new ATOM 853 N PHE A 52 8.912 -1.693 0.434 1.00 0.00 N ATOM 854 CA PHE A 52 10.237 -1.816 -0.132 1.00 0.00 C ATOM 855 C PHE A 52 10.119 -1.939 -1.644 1.00 0.00 C ATOM 856 O PHE A 52 9.455 -2.843 -2.151 1.00 0.00 O ATOM 857 CB PHE A 52 10.955 -3.038 0.453 1.00 0.00 C ATOM 858 CG PHE A 52 12.348 -3.230 -0.069 1.00 0.00 C ATOM 859 CD1 PHE A 52 13.387 -2.429 0.378 1.00 0.00 C ATOM 860 CD2 PHE A 52 12.621 -4.215 -1.004 1.00 0.00 C ATOM 861 CE1 PHE A 52 14.670 -2.606 -0.098 1.00 0.00 C ATOM 862 CE2 PHE A 52 13.904 -4.398 -1.484 1.00 0.00 C ATOM 863 CZ PHE A 52 14.930 -3.592 -1.030 1.00 0.00 C ATOM 0 H PHE A 52 8.291 -2.470 0.208 1.00 0.00 H new ATOM 0 HA PHE A 52 10.824 -0.931 0.114 1.00 0.00 H new ATOM 0 HB2 PHE A 52 10.994 -2.940 1.538 1.00 0.00 H new ATOM 0 HB3 PHE A 52 10.369 -3.931 0.235 1.00 0.00 H new ATOM 0 HD1 PHE A 52 13.190 -1.657 1.107 1.00 0.00 H new ATOM 0 HD2 PHE A 52 11.822 -4.847 -1.362 1.00 0.00 H new ATOM 0 HE1 PHE A 52 15.470 -1.974 0.258 1.00 0.00 H new ATOM 0 HE2 PHE A 52 14.104 -5.170 -2.213 1.00 0.00 H new ATOM 0 HZ PHE A 52 15.934 -3.732 -1.403 1.00 0.00 H new ATOM 873 N GLN A 53 10.737 -1.016 -2.359 1.00 0.00 N ATOM 874 CA GLN A 53 10.664 -1.007 -3.811 1.00 0.00 C ATOM 875 C GLN A 53 12.026 -1.362 -4.401 1.00 0.00 C ATOM 876 O GLN A 53 12.890 -0.497 -4.546 1.00 0.00 O ATOM 877 CB GLN A 53 10.200 0.367 -4.308 1.00 0.00 C ATOM 878 CG GLN A 53 9.943 0.433 -5.806 1.00 0.00 C ATOM 879 CD GLN A 53 9.457 1.802 -6.253 1.00 0.00 C ATOM 880 OE1 GLN A 53 8.695 1.921 -7.208 1.00 0.00 O ATOM 881 NE2 GLN A 53 9.905 2.847 -5.571 1.00 0.00 N ATOM 0 H GLN A 53 11.296 -0.262 -1.959 1.00 0.00 H new ATOM 0 HA GLN A 53 9.939 -1.752 -4.137 1.00 0.00 H new ATOM 0 HB2 GLN A 53 9.286 0.642 -3.781 1.00 0.00 H new ATOM 0 HB3 GLN A 53 10.954 1.109 -4.047 1.00 0.00 H new ATOM 0 HG2 GLN A 53 10.860 0.184 -6.340 1.00 0.00 H new ATOM 0 HG3 GLN A 53 9.202 -0.319 -6.078 1.00 0.00 H new ATOM 0 HE21 GLN A 53 10.537 2.709 -4.783 1.00 0.00 H new ATOM 0 HE22 GLN A 53 9.617 3.789 -5.835 1.00 0.00 H new ATOM 890 N PRO A 54 12.252 -2.648 -4.710 1.00 0.00 N ATOM 891 CA PRO A 54 13.525 -3.101 -5.270 1.00 0.00 C ATOM 892 C PRO A 54 13.759 -2.560 -6.676 1.00 0.00 C ATOM 893 O PRO A 54 14.823 -2.019 -6.970 1.00 0.00 O ATOM 894 CB PRO A 54 13.390 -4.628 -5.292 1.00 0.00 C ATOM 895 CG PRO A 54 11.922 -4.886 -5.293 1.00 0.00 C ATOM 896 CD PRO A 54 11.297 -3.754 -4.528 1.00 0.00 C ATOM 0 HA PRO A 54 14.375 -2.751 -4.685 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.866 -5.054 -6.175 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.869 -5.079 -4.423 1.00 0.00 H new ATOM 0 HG2 PRO A 54 11.535 -4.928 -6.311 1.00 0.00 H new ATOM 0 HG3 PRO A 54 11.695 -5.844 -4.825 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.311 -3.502 -4.919 1.00 0.00 H new ATOM 0 HD3 PRO A 54 11.168 -4.004 -3.475 1.00 0.00 H new ATOM 904 N ASP A 55 12.745 -2.677 -7.526 1.00 0.00 N ATOM 905 CA ASP A 55 12.835 -2.209 -8.904 1.00 0.00 C ATOM 906 C ASP A 55 11.500 -1.643 -9.357 1.00 0.00 C ATOM 907 O ASP A 55 10.480 -2.336 -9.342 1.00 0.00 O ATOM 908 CB ASP A 55 13.265 -3.334 -9.855 1.00 0.00 C ATOM 909 CG ASP A 55 14.736 -3.684 -9.735 1.00 0.00 C ATOM 910 OD1 ASP A 55 15.585 -2.864 -10.156 1.00 0.00 O ATOM 911 OD2 ASP A 55 15.052 -4.783 -9.232 1.00 0.00 O ATOM 0 H ASP A 55 11.847 -3.094 -7.283 1.00 0.00 H new ATOM 0 HA ASP A 55 13.593 -1.427 -8.935 1.00 0.00 H new ATOM 0 HB2 ASP A 55 12.668 -4.223 -9.650 1.00 0.00 H new ATOM 0 HB3 ASP A 55 13.051 -3.036 -10.881 1.00 0.00 H new ATOM 916 N GLY A 56 11.513 -0.380 -9.742 1.00 0.00 N ATOM 917 CA GLY A 56 10.312 0.277 -10.205 1.00 0.00 C ATOM 918 C GLY A 56 10.364 1.765 -9.944 1.00 0.00 C ATOM 919 O GLY A 56 11.375 2.275 -9.454 1.00 0.00 O ATOM 0 H GLY A 56 12.345 0.209 -9.742 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.185 0.097 -11.273 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.444 -0.152 -9.704 1.00 0.00 H new ATOM 923 N ALA A 57 9.292 2.463 -10.269 1.00 0.00 N ATOM 924 CA ALA A 57 9.212 3.893 -10.031 1.00 0.00 C ATOM 925 C ALA A 57 7.764 4.329 -9.873 1.00 0.00 C ATOM 926 O ALA A 57 7.028 4.446 -10.853 1.00 0.00 O ATOM 927 CB ALA A 57 9.884 4.665 -11.157 1.00 0.00 C ATOM 0 H ALA A 57 8.460 2.061 -10.701 1.00 0.00 H new ATOM 0 HA ALA A 57 9.740 4.114 -9.104 1.00 0.00 H new ATOM 0 HB1 ALA A 57 9.812 5.734 -10.958 1.00 0.00 H new ATOM 0 HB2 ALA A 57 10.933 4.377 -11.220 1.00 0.00 H new ATOM 0 HB3 ALA A 57 9.388 4.437 -12.101 1.00 0.00 H new ATOM 933 N GLY A 58 7.356 4.536 -8.634 1.00 0.00 N ATOM 934 CA GLY A 58 6.021 5.011 -8.363 1.00 0.00 C ATOM 935 C GLY A 58 5.929 5.697 -7.021 1.00 0.00 C ATOM 936 O GLY A 58 6.660 5.357 -6.093 1.00 0.00 O ATOM 0 H GLY A 58 7.931 4.382 -7.806 1.00 0.00 H new ATOM 0 HA2 GLY A 58 5.716 5.704 -9.147 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.325 4.173 -8.391 1.00 0.00 H new ATOM 940 N THR A 59 5.046 6.669 -6.921 1.00 0.00 N ATOM 941 CA THR A 59 4.836 7.380 -5.676 1.00 0.00 C ATOM 942 C THR A 59 3.641 6.795 -4.933 1.00 0.00 C ATOM 943 O THR A 59 2.501 6.911 -5.386 1.00 0.00 O ATOM 944 CB THR A 59 4.590 8.877 -5.943 1.00 0.00 C ATOM 945 OG1 THR A 59 5.614 9.389 -6.804 1.00 0.00 O ATOM 946 CG2 THR A 59 4.575 9.670 -4.644 1.00 0.00 C ATOM 0 H THR A 59 4.459 6.987 -7.692 1.00 0.00 H new ATOM 0 HA THR A 59 5.732 7.271 -5.065 1.00 0.00 H new ATOM 0 HB THR A 59 3.617 8.982 -6.422 1.00 0.00 H new ATOM 0 HG1 THR A 59 5.453 10.341 -6.973 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.399 10.723 -4.863 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.780 9.296 -3.999 1.00 0.00 H new ATOM 0 HG23 THR A 59 5.535 9.559 -4.139 1.00 0.00 H new ATOM 954 N LEU A 60 3.902 6.155 -3.803 1.00 0.00 N ATOM 955 CA LEU A 60 2.842 5.552 -3.013 1.00 0.00 C ATOM 956 C LEU A 60 2.385 6.505 -1.917 1.00 0.00 C ATOM 957 O LEU A 60 3.125 6.791 -0.973 1.00 0.00 O ATOM 958 CB LEU A 60 3.311 4.229 -2.402 1.00 0.00 C ATOM 959 CG LEU A 60 2.242 3.458 -1.624 1.00 0.00 C ATOM 960 CD1 LEU A 60 1.069 3.105 -2.526 1.00 0.00 C ATOM 961 CD2 LEU A 60 2.833 2.199 -1.011 1.00 0.00 C ATOM 0 H LEU A 60 4.838 6.041 -3.414 1.00 0.00 H new ATOM 0 HA LEU A 60 1.998 5.349 -3.673 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.688 3.591 -3.201 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.149 4.432 -1.735 1.00 0.00 H new ATOM 0 HG LEU A 60 1.878 4.099 -0.821 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.321 2.557 -1.953 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.626 4.019 -2.921 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.419 2.485 -3.352 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.059 1.664 -0.462 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.225 1.559 -1.801 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.639 2.470 -0.330 1.00 0.00 H new ATOM 973 N LYS A 61 1.173 7.011 -2.061 1.00 0.00 N ATOM 974 CA LYS A 61 0.593 7.902 -1.073 1.00 0.00 C ATOM 975 C LYS A 61 -0.483 7.176 -0.286 1.00 0.00 C ATOM 976 O LYS A 61 -1.119 6.256 -0.792 1.00 0.00 O ATOM 977 CB LYS A 61 -0.029 9.121 -1.750 1.00 0.00 C ATOM 978 CG LYS A 61 0.902 9.847 -2.703 1.00 0.00 C ATOM 979 CD LYS A 61 0.185 11.000 -3.379 1.00 0.00 C ATOM 980 CE LYS A 61 1.053 11.669 -4.425 1.00 0.00 C ATOM 981 NZ LYS A 61 0.349 12.802 -5.076 1.00 0.00 N ATOM 0 H LYS A 61 0.568 6.818 -2.859 1.00 0.00 H new ATOM 0 HA LYS A 61 1.387 8.228 -0.402 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.917 8.805 -2.298 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.361 9.819 -0.982 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.769 10.221 -2.158 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.274 9.152 -3.456 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.730 10.635 -3.846 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.110 11.734 -2.629 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.971 12.029 -3.961 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.343 10.938 -5.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.973 13.236 -5.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.514 12.454 -5.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.095 13.511 -4.359 1.00 0.00 H new ATOM 995 N MET A 62 -0.680 7.584 0.949 1.00 0.00 N ATOM 996 CA MET A 62 -1.773 7.061 1.747 1.00 0.00 C ATOM 997 C MET A 62 -2.953 8.029 1.667 1.00 0.00 C ATOM 998 O MET A 62 -2.787 9.168 1.229 1.00 0.00 O ATOM 999 CB MET A 62 -1.310 6.846 3.193 1.00 0.00 C ATOM 1000 CG MET A 62 -2.306 6.091 4.060 1.00 0.00 C ATOM 1001 SD MET A 62 -1.591 5.541 5.620 1.00 0.00 S ATOM 1002 CE MET A 62 -1.035 7.093 6.319 1.00 0.00 C ATOM 0 H MET A 62 -0.100 8.275 1.424 1.00 0.00 H new ATOM 0 HA MET A 62 -2.094 6.093 1.361 1.00 0.00 H new ATOM 0 HB2 MET A 62 -0.367 6.300 3.183 1.00 0.00 H new ATOM 0 HB3 MET A 62 -1.112 7.817 3.648 1.00 0.00 H new ATOM 0 HG2 MET A 62 -3.164 6.732 4.264 1.00 0.00 H new ATOM 0 HG3 MET A 62 -2.678 5.226 3.510 1.00 0.00 H new ATOM 0 HE1 MET A 62 -1.189 7.082 7.398 1.00 0.00 H new ATOM 0 HE2 MET A 62 0.025 7.229 6.105 1.00 0.00 H new ATOM 0 HE3 MET A 62 -1.602 7.914 5.880 1.00 0.00 H new ATOM 1012 N SER A 63 -4.134 7.579 2.077 1.00 0.00 N ATOM 1013 CA SER A 63 -5.359 8.375 1.983 1.00 0.00 C ATOM 1014 C SER A 63 -5.232 9.735 2.676 1.00 0.00 C ATOM 1015 O SER A 63 -5.939 10.683 2.334 1.00 0.00 O ATOM 1016 CB SER A 63 -6.524 7.581 2.573 1.00 0.00 C ATOM 1017 OG SER A 63 -6.107 6.832 3.705 1.00 0.00 O ATOM 0 H SER A 63 -4.272 6.654 2.484 1.00 0.00 H new ATOM 0 HA SER A 63 -5.543 8.580 0.928 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.326 8.262 2.858 1.00 0.00 H new ATOM 0 HB3 SER A 63 -6.931 6.909 1.817 1.00 0.00 H new ATOM 0 HG SER A 63 -6.869 6.334 4.066 1.00 0.00 H new ATOM 1023 N ASP A 64 -4.317 9.830 3.629 1.00 0.00 N ATOM 1024 CA ASP A 64 -4.093 11.067 4.373 1.00 0.00 C ATOM 1025 C ASP A 64 -3.316 12.087 3.549 1.00 0.00 C ATOM 1026 O ASP A 64 -3.103 13.216 3.987 1.00 0.00 O ATOM 1027 CB ASP A 64 -3.324 10.772 5.662 1.00 0.00 C ATOM 1028 CG ASP A 64 -4.092 9.868 6.601 1.00 0.00 C ATOM 1029 OD1 ASP A 64 -4.250 8.671 6.288 1.00 0.00 O ATOM 1030 OD2 ASP A 64 -4.552 10.357 7.654 1.00 0.00 O ATOM 0 H ASP A 64 -3.711 9.059 3.909 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.070 11.488 4.609 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -2.370 10.306 5.414 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -3.098 11.710 6.169 1.00 0.00 H new ATOM 1035 N GLY A 65 -2.885 11.685 2.359 1.00 0.00 N ATOM 1036 CA GLY A 65 -2.082 12.558 1.526 1.00 0.00 C ATOM 1037 C GLY A 65 -0.612 12.429 1.853 1.00 0.00 C ATOM 1038 O GLY A 65 0.222 13.183 1.355 1.00 0.00 O ATOM 0 H GLY A 65 -3.078 10.768 1.956 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.246 12.315 0.476 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.399 13.591 1.667 1.00 0.00 H new ATOM 1042 N THR A 66 -0.304 11.463 2.703 1.00 0.00 N ATOM 1043 CA THR A 66 1.060 11.219 3.126 1.00 0.00 C ATOM 1044 C THR A 66 1.824 10.420 2.080 1.00 0.00 C ATOM 1045 O THR A 66 1.444 9.297 1.740 1.00 0.00 O ATOM 1046 CB THR A 66 1.090 10.464 4.469 1.00 0.00 C ATOM 1047 OG1 THR A 66 0.418 11.240 5.469 1.00 0.00 O ATOM 1048 CG2 THR A 66 2.519 10.180 4.910 1.00 0.00 C ATOM 0 H THR A 66 -0.990 10.831 3.116 1.00 0.00 H new ATOM 0 HA THR A 66 1.541 12.189 3.249 1.00 0.00 H new ATOM 0 HB THR A 66 0.581 9.509 4.338 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.436 10.759 6.323 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.507 9.647 5.860 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.018 9.569 4.157 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.057 11.121 5.029 1.00 0.00 H new ATOM 1056 N VAL A 67 2.887 11.016 1.563 1.00 0.00 N ATOM 1057 CA VAL A 67 3.773 10.328 0.646 1.00 0.00 C ATOM 1058 C VAL A 67 4.670 9.379 1.433 1.00 0.00 C ATOM 1059 O VAL A 67 5.504 9.813 2.233 1.00 0.00 O ATOM 1060 CB VAL A 67 4.633 11.318 -0.167 1.00 0.00 C ATOM 1061 CG1 VAL A 67 5.578 10.576 -1.104 1.00 0.00 C ATOM 1062 CG2 VAL A 67 3.743 12.272 -0.953 1.00 0.00 C ATOM 0 H VAL A 67 3.155 11.979 1.766 1.00 0.00 H new ATOM 0 HA VAL A 67 3.165 9.766 -0.062 1.00 0.00 H new ATOM 0 HB VAL A 67 5.236 11.899 0.531 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.173 11.296 -1.666 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.239 9.935 -0.521 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.999 9.965 -1.796 1.00 0.00 H new ATOM 0 HG21 VAL A 67 4.364 12.964 -1.521 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.114 11.702 -1.638 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.112 12.833 -0.263 1.00 0.00 H new ATOM 1072 N LEU A 68 4.475 8.090 1.222 1.00 0.00 N ATOM 1073 CA LEU A 68 5.185 7.074 1.980 1.00 0.00 C ATOM 1074 C LEU A 68 6.575 6.853 1.400 1.00 0.00 C ATOM 1075 O LEU A 68 6.800 7.068 0.209 1.00 0.00 O ATOM 1076 CB LEU A 68 4.390 5.770 1.965 1.00 0.00 C ATOM 1077 CG LEU A 68 2.931 5.900 2.412 1.00 0.00 C ATOM 1078 CD1 LEU A 68 2.197 4.587 2.216 1.00 0.00 C ATOM 1079 CD2 LEU A 68 2.853 6.344 3.864 1.00 0.00 C ATOM 0 H LEU A 68 3.826 7.720 0.527 1.00 0.00 H new ATOM 0 HA LEU A 68 5.294 7.412 3.010 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.410 5.360 0.955 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.890 5.049 2.612 1.00 0.00 H new ATOM 0 HG LEU A 68 2.449 6.659 1.796 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.162 4.697 2.539 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.221 4.311 1.162 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.680 3.808 2.806 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.808 6.430 4.162 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.351 5.609 4.496 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.343 7.311 3.976 1.00 0.00 H new ATOM 1091 N LEU A 69 7.503 6.426 2.240 1.00 0.00 N ATOM 1092 CA LEU A 69 8.875 6.209 1.813 1.00 0.00 C ATOM 1093 C LEU A 69 9.332 4.803 2.191 1.00 0.00 C ATOM 1094 O LEU A 69 8.765 4.181 3.090 1.00 0.00 O ATOM 1095 CB LEU A 69 9.795 7.263 2.436 1.00 0.00 C ATOM 1096 CG LEU A 69 9.522 8.701 1.992 1.00 0.00 C ATOM 1097 CD1 LEU A 69 10.436 9.670 2.719 1.00 0.00 C ATOM 1098 CD2 LEU A 69 9.696 8.835 0.488 1.00 0.00 C ATOM 0 H LEU A 69 7.330 6.222 3.224 1.00 0.00 H new ATOM 0 HA LEU A 69 8.925 6.305 0.728 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.702 7.209 3.521 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.827 7.013 2.192 1.00 0.00 H new ATOM 0 HG LEU A 69 8.491 8.947 2.246 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.225 10.687 2.388 1.00 0.00 H new ATOM 0 HD12 LEU A 69 10.265 9.595 3.793 1.00 0.00 H new ATOM 0 HD13 LEU A 69 11.475 9.425 2.499 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.498 9.864 0.189 1.00 0.00 H new ATOM 0 HD22 LEU A 69 10.717 8.568 0.215 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.998 8.169 -0.020 1.00 0.00 H new ATOM 1110 N PRO A 70 10.334 4.265 1.478 1.00 0.00 N ATOM 1111 CA PRO A 70 10.888 2.942 1.766 1.00 0.00 C ATOM 1112 C PRO A 70 11.761 2.941 3.019 1.00 0.00 C ATOM 1113 O PRO A 70 12.347 3.964 3.374 1.00 0.00 O ATOM 1114 CB PRO A 70 11.739 2.617 0.527 1.00 0.00 C ATOM 1115 CG PRO A 70 11.431 3.688 -0.470 1.00 0.00 C ATOM 1116 CD PRO A 70 10.993 4.881 0.326 1.00 0.00 C ATOM 0 HA PRO A 70 10.101 2.212 1.958 1.00 0.00 H new ATOM 0 HB2 PRO A 70 12.801 2.606 0.774 1.00 0.00 H new ATOM 0 HB3 PRO A 70 11.493 1.632 0.131 1.00 0.00 H new ATOM 0 HG2 PRO A 70 12.308 3.922 -1.074 1.00 0.00 H new ATOM 0 HG3 PRO A 70 10.647 3.368 -1.157 1.00 0.00 H new ATOM 0 HD2 PRO A 70 11.837 5.502 0.625 1.00 0.00 H new ATOM 0 HD3 PRO A 70 10.312 5.518 -0.238 1.00 0.00 H new ATOM 1124 N ASN A 71 11.830 1.781 3.672 1.00 0.00 N ATOM 1125 CA ASN A 71 12.658 1.568 4.869 1.00 0.00 C ATOM 1126 C ASN A 71 12.026 2.165 6.125 1.00 0.00 C ATOM 1127 O ASN A 71 11.873 1.467 7.128 1.00 0.00 O ATOM 1128 CB ASN A 71 14.087 2.101 4.689 1.00 0.00 C ATOM 1129 CG ASN A 71 14.891 1.292 3.689 1.00 0.00 C ATOM 1130 OD1 ASN A 71 14.679 0.089 3.524 1.00 0.00 O ATOM 1131 ND2 ASN A 71 15.822 1.948 3.016 1.00 0.00 N ATOM 0 H ASN A 71 11.309 0.952 3.386 1.00 0.00 H new ATOM 0 HA ASN A 71 12.714 0.488 5.002 1.00 0.00 H new ATOM 0 HB2 ASN A 71 14.045 3.139 4.360 1.00 0.00 H new ATOM 0 HB3 ASN A 71 14.598 2.092 5.652 1.00 0.00 H new ATOM 0 HD21 ASN A 71 16.396 1.458 2.330 1.00 0.00 H new ATOM 0 HD22 ASN A 71 15.965 2.944 3.183 1.00 0.00 H new ATOM 1138 N ASP A 72 11.658 3.438 6.085 1.00 0.00 N ATOM 1139 CA ASP A 72 11.041 4.074 7.247 1.00 0.00 C ATOM 1140 C ASP A 72 9.565 3.703 7.354 1.00 0.00 C ATOM 1141 O ASP A 72 8.974 3.177 6.409 1.00 0.00 O ATOM 1142 CB ASP A 72 11.238 5.597 7.242 1.00 0.00 C ATOM 1143 CG ASP A 72 10.837 6.269 5.946 1.00 0.00 C ATOM 1144 OD1 ASP A 72 11.709 6.411 5.060 1.00 0.00 O ATOM 1145 OD2 ASP A 72 9.674 6.699 5.831 1.00 0.00 O ATOM 0 H ASP A 72 11.772 4.046 5.274 1.00 0.00 H new ATOM 0 HA ASP A 72 11.548 3.693 8.133 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.659 6.030 8.057 1.00 0.00 H new ATOM 0 HB3 ASP A 72 12.286 5.817 7.444 1.00 0.00 H new ATOM 1150 N LEU A 73 8.978 3.965 8.516 1.00 0.00 N ATOM 1151 CA LEU A 73 7.663 3.429 8.848 1.00 0.00 C ATOM 1152 C LEU A 73 6.637 4.535 9.101 1.00 0.00 C ATOM 1153 O LEU A 73 6.929 5.529 9.767 1.00 0.00 O ATOM 1154 CB LEU A 73 7.791 2.546 10.094 1.00 0.00 C ATOM 1155 CG LEU A 73 6.533 1.786 10.511 1.00 0.00 C ATOM 1156 CD1 LEU A 73 6.193 0.722 9.483 1.00 0.00 C ATOM 1157 CD2 LEU A 73 6.728 1.163 11.884 1.00 0.00 C ATOM 0 H LEU A 73 9.392 4.546 9.245 1.00 0.00 H new ATOM 0 HA LEU A 73 7.307 2.847 7.998 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.588 1.822 9.921 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.105 3.173 10.928 1.00 0.00 H new ATOM 0 HG LEU A 73 5.700 2.488 10.565 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.294 0.189 9.794 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.019 1.193 8.516 1.00 0.00 H new ATOM 0 HD13 LEU A 73 7.021 0.018 9.400 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.825 0.624 12.171 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.569 0.471 11.853 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.930 1.947 12.614 1.00 0.00 H new ATOM 1169 N TYR A 74 5.434 4.345 8.570 1.00 0.00 N ATOM 1170 CA TYR A 74 4.327 5.264 8.809 1.00 0.00 C ATOM 1171 C TYR A 74 3.129 4.510 9.382 1.00 0.00 C ATOM 1172 O TYR A 74 2.934 3.338 9.077 1.00 0.00 O ATOM 1173 CB TYR A 74 3.925 5.979 7.515 1.00 0.00 C ATOM 1174 CG TYR A 74 4.880 7.075 7.097 1.00 0.00 C ATOM 1175 CD1 TYR A 74 4.806 8.336 7.676 1.00 0.00 C ATOM 1176 CD2 TYR A 74 5.848 6.856 6.126 1.00 0.00 C ATOM 1177 CE1 TYR A 74 5.672 9.345 7.304 1.00 0.00 C ATOM 1178 CE2 TYR A 74 6.717 7.862 5.747 1.00 0.00 C ATOM 1179 CZ TYR A 74 6.625 9.105 6.339 1.00 0.00 C ATOM 1180 OH TYR A 74 7.492 10.109 5.970 1.00 0.00 O ATOM 0 H TYR A 74 5.200 3.557 7.967 1.00 0.00 H new ATOM 0 HA TYR A 74 4.655 6.013 9.530 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.857 5.245 6.712 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.930 6.406 7.642 1.00 0.00 H new ATOM 0 HD1 TYR A 74 4.058 8.530 8.430 1.00 0.00 H new ATOM 0 HD2 TYR A 74 5.923 5.885 5.660 1.00 0.00 H new ATOM 0 HE1 TYR A 74 5.602 10.318 7.768 1.00 0.00 H new ATOM 0 HE2 TYR A 74 7.465 7.676 4.991 1.00 0.00 H new ATOM 0 HH TYR A 74 8.102 9.777 5.279 1.00 0.00 H new ATOM 1190 N PRO A 75 2.325 5.159 10.239 1.00 0.00 N ATOM 1191 CA PRO A 75 1.142 4.544 10.841 1.00 0.00 C ATOM 1192 C PRO A 75 -0.079 4.577 9.917 1.00 0.00 C ATOM 1193 O PRO A 75 -0.268 5.525 9.152 1.00 0.00 O ATOM 1194 CB PRO A 75 0.887 5.400 12.096 1.00 0.00 C ATOM 1195 CG PRO A 75 1.945 6.463 12.106 1.00 0.00 C ATOM 1196 CD PRO A 75 2.503 6.531 10.714 1.00 0.00 C ATOM 0 HA PRO A 75 1.305 3.487 11.053 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -0.108 5.843 12.068 1.00 0.00 H new ATOM 0 HB3 PRO A 75 0.940 4.791 12.999 1.00 0.00 H new ATOM 0 HG2 PRO A 75 1.525 7.424 12.402 1.00 0.00 H new ATOM 0 HG3 PRO A 75 2.728 6.223 12.825 1.00 0.00 H new ATOM 0 HD2 PRO A 75 1.965 7.249 10.095 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.551 6.830 10.710 1.00 0.00 H new ATOM 1204 N LEU A 76 -0.904 3.538 9.997 1.00 0.00 N ATOM 1205 CA LEU A 76 -2.126 3.459 9.202 1.00 0.00 C ATOM 1206 C LEU A 76 -3.288 4.125 9.932 1.00 0.00 C ATOM 1207 O LEU A 76 -3.365 4.077 11.160 1.00 0.00 O ATOM 1208 CB LEU A 76 -2.467 1.997 8.886 1.00 0.00 C ATOM 1209 CG LEU A 76 -1.503 1.310 7.920 1.00 0.00 C ATOM 1210 CD1 LEU A 76 -1.860 -0.158 7.756 1.00 0.00 C ATOM 1211 CD2 LEU A 76 -1.520 2.012 6.571 1.00 0.00 C ATOM 0 H LEU A 76 -0.748 2.735 10.607 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.957 3.989 8.265 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.488 1.433 9.819 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.472 1.955 8.466 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.497 1.373 8.336 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.161 -0.627 7.064 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.803 -0.657 8.724 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.873 -0.244 7.363 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.829 1.512 5.892 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.527 1.976 6.155 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.217 3.051 6.698 1.00 0.00 H new ATOM 1223 N PRO A 77 -4.211 4.751 9.180 1.00 0.00 N ATOM 1224 CA PRO A 77 -5.326 5.516 9.754 1.00 0.00 C ATOM 1225 C PRO A 77 -6.418 4.642 10.378 1.00 0.00 C ATOM 1226 O PRO A 77 -7.210 5.123 11.192 1.00 0.00 O ATOM 1227 CB PRO A 77 -5.883 6.281 8.554 1.00 0.00 C ATOM 1228 CG PRO A 77 -5.530 5.451 7.373 1.00 0.00 C ATOM 1229 CD PRO A 77 -4.226 4.779 7.705 1.00 0.00 C ATOM 0 HA PRO A 77 -4.986 6.147 10.575 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -6.962 6.413 8.636 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -5.445 7.276 8.482 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -6.307 4.714 7.169 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -5.433 6.067 6.479 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -4.175 3.774 7.285 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -3.377 5.334 7.307 1.00 0.00 H new ATOM 1237 N GLY A 78 -6.471 3.372 9.997 1.00 0.00 N ATOM 1238 CA GLY A 78 -7.484 2.488 10.537 1.00 0.00 C ATOM 1239 C GLY A 78 -7.602 1.198 9.758 1.00 0.00 C ATOM 1240 O GLY A 78 -6.653 0.783 9.094 1.00 0.00 O ATOM 0 H GLY A 78 -5.834 2.941 9.327 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -7.247 2.261 11.576 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.447 2.999 10.535 1.00 0.00 H new ATOM 1244 N GLU A 79 -8.767 0.567 9.841 1.00 0.00 N ATOM 1245 CA GLU A 79 -9.008 -0.703 9.167 1.00 0.00 C ATOM 1246 C GLU A 79 -9.133 -0.505 7.661 1.00 0.00 C ATOM 1247 O GLU A 79 -8.523 -1.228 6.874 1.00 0.00 O ATOM 1248 CB GLU A 79 -10.280 -1.372 9.702 1.00 0.00 C ATOM 1249 CG GLU A 79 -10.216 -1.785 11.169 1.00 0.00 C ATOM 1250 CD GLU A 79 -10.152 -0.605 12.119 1.00 0.00 C ATOM 1251 OE1 GLU A 79 -10.852 0.401 11.873 1.00 0.00 O ATOM 1252 OE2 GLU A 79 -9.409 -0.682 13.121 1.00 0.00 O ATOM 0 H GLU A 79 -9.564 0.917 10.372 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.154 -1.349 9.369 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.118 -0.688 9.568 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.490 -2.255 9.099 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -11.091 -2.389 11.408 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.341 -2.416 11.324 1.00 0.00 H new ATOM 1259 N THR A 80 -9.930 0.470 7.256 1.00 0.00 N ATOM 1260 CA THR A 80 -10.115 0.743 5.844 1.00 0.00 C ATOM 1261 C THR A 80 -9.375 2.024 5.461 1.00 0.00 C ATOM 1262 O THR A 80 -9.464 3.041 6.157 1.00 0.00 O ATOM 1263 CB THR A 80 -11.618 0.839 5.474 1.00 0.00 C ATOM 1264 OG1 THR A 80 -11.787 0.837 4.048 1.00 0.00 O ATOM 1265 CG2 THR A 80 -12.270 2.082 6.064 1.00 0.00 C ATOM 0 H THR A 80 -10.455 1.081 7.882 1.00 0.00 H new ATOM 0 HA THR A 80 -9.697 -0.089 5.277 1.00 0.00 H new ATOM 0 HB THR A 80 -12.110 -0.036 5.900 1.00 0.00 H new ATOM 0 HG1 THR A 80 -12.148 -0.028 3.763 1.00 0.00 H new ATOM 0 HG21 THR A 80 -13.322 2.110 5.781 1.00 0.00 H new ATOM 0 HG22 THR A 80 -12.187 2.055 7.151 1.00 0.00 H new ATOM 0 HG23 THR A 80 -11.768 2.972 5.684 1.00 0.00 H new ATOM 1273 N PHE A 81 -8.609 1.955 4.383 1.00 0.00 N ATOM 1274 CA PHE A 81 -7.836 3.098 3.921 1.00 0.00 C ATOM 1275 C PHE A 81 -7.535 2.978 2.431 1.00 0.00 C ATOM 1276 O PHE A 81 -7.800 1.946 1.809 1.00 0.00 O ATOM 1277 CB PHE A 81 -6.532 3.240 4.723 1.00 0.00 C ATOM 1278 CG PHE A 81 -5.657 2.013 4.718 1.00 0.00 C ATOM 1279 CD1 PHE A 81 -5.865 0.991 5.633 1.00 0.00 C ATOM 1280 CD2 PHE A 81 -4.621 1.885 3.805 1.00 0.00 C ATOM 1281 CE1 PHE A 81 -5.061 -0.132 5.636 1.00 0.00 C ATOM 1282 CE2 PHE A 81 -3.813 0.764 3.804 1.00 0.00 C ATOM 1283 CZ PHE A 81 -4.034 -0.246 4.721 1.00 0.00 C ATOM 0 H PHE A 81 -8.506 1.117 3.810 1.00 0.00 H new ATOM 0 HA PHE A 81 -8.434 3.995 4.081 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -5.963 4.078 4.321 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -6.780 3.489 5.755 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -6.666 1.075 6.352 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -4.444 2.671 3.086 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -5.236 -0.920 6.354 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -3.010 0.677 3.087 1.00 0.00 H new ATOM 0 HZ PHE A 81 -3.404 -1.123 4.722 1.00 0.00 H new ATOM 1293 N ARG A 82 -6.982 4.038 1.863 1.00 0.00 N ATOM 1294 CA ARG A 82 -6.686 4.079 0.439 1.00 0.00 C ATOM 1295 C ARG A 82 -5.195 4.257 0.210 1.00 0.00 C ATOM 1296 O ARG A 82 -4.547 5.047 0.893 1.00 0.00 O ATOM 1297 CB ARG A 82 -7.433 5.235 -0.231 1.00 0.00 C ATOM 1298 CG ARG A 82 -8.943 5.165 -0.092 1.00 0.00 C ATOM 1299 CD ARG A 82 -9.595 6.447 -0.578 1.00 0.00 C ATOM 1300 NE ARG A 82 -11.050 6.398 -0.473 1.00 0.00 N ATOM 1301 CZ ARG A 82 -11.783 7.315 0.161 1.00 0.00 C ATOM 1302 NH1 ARG A 82 -11.196 8.358 0.741 1.00 0.00 N ATOM 1303 NH2 ARG A 82 -13.106 7.196 0.198 1.00 0.00 N ATOM 0 H ARG A 82 -6.728 4.886 2.369 1.00 0.00 H new ATOM 0 HA ARG A 82 -7.011 3.135 0.002 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -7.083 6.175 0.196 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -7.177 5.252 -1.290 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -9.325 4.319 -0.663 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -9.208 4.991 0.951 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -9.218 7.288 0.004 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -9.313 6.626 -1.616 1.00 0.00 H new ATOM 0 HE ARG A 82 -11.536 5.615 -0.911 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -10.182 8.459 0.702 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -11.760 9.057 1.225 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -13.560 6.404 -0.258 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -13.668 7.896 0.682 1.00 0.00 H new ATOM 1317 N LEU A 83 -4.660 3.514 -0.739 1.00 0.00 N ATOM 1318 CA LEU A 83 -3.285 3.700 -1.169 1.00 0.00 C ATOM 1319 C LEU A 83 -3.262 4.225 -2.594 1.00 0.00 C ATOM 1320 O LEU A 83 -3.699 3.547 -3.523 1.00 0.00 O ATOM 1321 CB LEU A 83 -2.496 2.392 -1.077 1.00 0.00 C ATOM 1322 CG LEU A 83 -2.305 1.843 0.338 1.00 0.00 C ATOM 1323 CD1 LEU A 83 -1.486 0.561 0.307 1.00 0.00 C ATOM 1324 CD2 LEU A 83 -1.644 2.885 1.228 1.00 0.00 C ATOM 0 H LEU A 83 -5.158 2.772 -1.230 1.00 0.00 H new ATOM 0 HA LEU A 83 -2.812 4.425 -0.507 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.005 1.637 -1.677 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.514 2.547 -1.525 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.285 1.610 0.755 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.360 0.185 1.322 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.003 -0.186 -0.295 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.508 0.765 -0.128 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -1.516 2.478 2.231 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.670 3.150 0.816 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.272 3.775 1.275 1.00 0.00 H new ATOM 1336 N TYR A 84 -2.768 5.434 -2.761 1.00 0.00 N ATOM 1337 CA TYR A 84 -2.717 6.063 -4.067 1.00 0.00 C ATOM 1338 C TYR A 84 -1.333 5.913 -4.675 1.00 0.00 C ATOM 1339 O TYR A 84 -0.394 6.615 -4.299 1.00 0.00 O ATOM 1340 CB TYR A 84 -3.109 7.539 -3.968 1.00 0.00 C ATOM 1341 CG TYR A 84 -4.590 7.747 -3.743 1.00 0.00 C ATOM 1342 CD1 TYR A 84 -5.476 7.715 -4.811 1.00 0.00 C ATOM 1343 CD2 TYR A 84 -5.102 7.962 -2.470 1.00 0.00 C ATOM 1344 CE1 TYR A 84 -6.830 7.893 -4.619 1.00 0.00 C ATOM 1345 CE2 TYR A 84 -6.459 8.137 -2.268 1.00 0.00 C ATOM 1346 CZ TYR A 84 -7.318 8.102 -3.349 1.00 0.00 C ATOM 1347 OH TYR A 84 -8.672 8.263 -3.159 1.00 0.00 O ATOM 0 H TYR A 84 -2.393 6.005 -2.004 1.00 0.00 H new ATOM 0 HA TYR A 84 -3.433 5.564 -4.720 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -2.555 8.002 -3.151 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -2.812 8.050 -4.884 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -5.099 7.548 -5.809 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -4.430 7.993 -1.625 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -7.505 7.869 -5.462 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -6.844 8.300 -1.272 1.00 0.00 H new ATOM 0 HH TYR A 84 -9.161 7.747 -3.834 1.00 0.00 H new ATOM 1357 N TYR A 85 -1.207 4.974 -5.593 1.00 0.00 N ATOM 1358 CA TYR A 85 0.061 4.711 -6.243 1.00 0.00 C ATOM 1359 C TYR A 85 0.138 5.448 -7.574 1.00 0.00 C ATOM 1360 O TYR A 85 -0.446 5.020 -8.571 1.00 0.00 O ATOM 1361 CB TYR A 85 0.237 3.204 -6.449 1.00 0.00 C ATOM 1362 CG TYR A 85 1.570 2.814 -7.049 1.00 0.00 C ATOM 1363 CD1 TYR A 85 2.724 2.800 -6.277 1.00 0.00 C ATOM 1364 CD2 TYR A 85 1.673 2.460 -8.388 1.00 0.00 C ATOM 1365 CE1 TYR A 85 3.944 2.445 -6.823 1.00 0.00 C ATOM 1366 CE2 TYR A 85 2.888 2.103 -8.940 1.00 0.00 C ATOM 1367 CZ TYR A 85 4.021 2.097 -8.155 1.00 0.00 C ATOM 1368 OH TYR A 85 5.233 1.749 -8.706 1.00 0.00 O ATOM 0 H TYR A 85 -1.973 4.378 -5.906 1.00 0.00 H new ATOM 0 HA TYR A 85 0.868 5.074 -5.606 1.00 0.00 H new ATOM 0 HB2 TYR A 85 0.122 2.701 -5.489 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.561 2.841 -7.097 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.668 3.071 -5.233 1.00 0.00 H new ATOM 0 HD2 TYR A 85 0.789 2.464 -9.008 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.832 2.440 -6.209 1.00 0.00 H new ATOM 0 HE2 TYR A 85 2.950 1.830 -9.983 1.00 0.00 H new ATOM 0 HH TYR A 85 5.518 0.882 -8.348 1.00 0.00 H new ATOM 1378 N THR A 86 0.837 6.570 -7.573 1.00 0.00 N ATOM 1379 CA THR A 86 1.052 7.335 -8.787 1.00 0.00 C ATOM 1380 C THR A 86 2.272 6.798 -9.528 1.00 0.00 C ATOM 1381 O THR A 86 3.405 6.949 -9.070 1.00 0.00 O ATOM 1382 CB THR A 86 1.248 8.835 -8.477 1.00 0.00 C ATOM 1383 OG1 THR A 86 0.138 9.319 -7.708 1.00 0.00 O ATOM 1384 CG2 THR A 86 1.367 9.650 -9.756 1.00 0.00 C ATOM 0 H THR A 86 1.267 6.972 -6.740 1.00 0.00 H new ATOM 0 HA THR A 86 0.167 7.230 -9.414 1.00 0.00 H new ATOM 0 HB THR A 86 2.172 8.945 -7.909 1.00 0.00 H new ATOM 0 HG1 THR A 86 -0.635 9.449 -8.296 1.00 0.00 H new ATOM 0 HG21 THR A 86 1.504 10.702 -9.506 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.223 9.300 -10.332 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.459 9.533 -10.348 1.00 0.00 H new ATOM 1392 N SER A 87 2.029 6.149 -10.655 1.00 0.00 N ATOM 1393 CA SER A 87 3.093 5.546 -11.437 1.00 0.00 C ATOM 1394 C SER A 87 3.994 6.616 -12.040 1.00 0.00 C ATOM 1395 O SER A 87 3.527 7.693 -12.419 1.00 0.00 O ATOM 1396 CB SER A 87 2.498 4.672 -12.540 1.00 0.00 C ATOM 1397 OG SER A 87 3.516 4.046 -13.300 1.00 0.00 O ATOM 0 H SER A 87 1.097 6.026 -11.050 1.00 0.00 H new ATOM 0 HA SER A 87 3.698 4.924 -10.777 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.851 3.914 -12.098 1.00 0.00 H new ATOM 0 HB3 SER A 87 1.874 5.281 -13.194 1.00 0.00 H new ATOM 0 HG SER A 87 3.109 3.491 -13.998 1.00 0.00 H new ATOM 1403 N ALA A 88 5.284 6.321 -12.116 1.00 0.00 N ATOM 1404 CA ALA A 88 6.245 7.249 -12.685 1.00 0.00 C ATOM 1405 C ALA A 88 7.116 6.556 -13.727 1.00 0.00 C ATOM 1406 O ALA A 88 8.136 7.098 -14.155 1.00 0.00 O ATOM 1407 CB ALA A 88 7.109 7.844 -11.583 1.00 0.00 C ATOM 0 H ALA A 88 5.688 5.443 -11.789 1.00 0.00 H new ATOM 0 HA ALA A 88 5.699 8.052 -13.180 1.00 0.00 H new ATOM 0 HB1 ALA A 88 7.827 8.539 -12.019 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.477 8.375 -10.871 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.643 7.045 -11.068 1.00 0.00 H new ATOM 1413 N SER A 89 6.710 5.363 -14.142 1.00 0.00 N ATOM 1414 CA SER A 89 7.480 4.603 -15.114 1.00 0.00 C ATOM 1415 C SER A 89 6.565 3.813 -16.042 1.00 0.00 C ATOM 1416 O SER A 89 5.405 3.559 -15.719 1.00 0.00 O ATOM 1417 CB SER A 89 8.444 3.654 -14.399 1.00 0.00 C ATOM 1418 OG SER A 89 7.753 2.793 -13.510 1.00 0.00 O ATOM 0 H SER A 89 5.857 4.904 -13.822 1.00 0.00 H new ATOM 0 HA SER A 89 8.052 5.308 -15.717 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.987 3.061 -15.135 1.00 0.00 H new ATOM 0 HB3 SER A 89 9.185 4.232 -13.847 1.00 0.00 H new ATOM 0 HG SER A 89 8.393 2.197 -13.068 1.00 0.00 H new ATOM 1424 N THR A 90 7.095 3.434 -17.196 1.00 0.00 N ATOM 1425 CA THR A 90 6.359 2.603 -18.137 1.00 0.00 C ATOM 1426 C THR A 90 6.838 1.157 -18.036 1.00 0.00 C ATOM 1427 O THR A 90 6.237 0.245 -18.607 1.00 0.00 O ATOM 1428 CB THR A 90 6.527 3.113 -19.588 1.00 0.00 C ATOM 1429 OG1 THR A 90 5.674 2.378 -20.479 1.00 0.00 O ATOM 1430 CG2 THR A 90 7.972 2.987 -20.052 1.00 0.00 C ATOM 0 H THR A 90 8.033 3.689 -17.503 1.00 0.00 H new ATOM 0 HA THR A 90 5.301 2.656 -17.880 1.00 0.00 H new ATOM 0 HB THR A 90 6.246 4.166 -19.602 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.520 1.480 -20.118 1.00 0.00 H new ATOM 0 HG21 THR A 90 8.059 3.353 -21.075 1.00 0.00 H new ATOM 0 HG22 THR A 90 8.616 3.576 -19.400 1.00 0.00 H new ATOM 0 HG23 THR A 90 8.276 1.941 -20.014 1.00 0.00 H new ATOM 1438 N ASP A 91 7.924 0.963 -17.294 1.00 0.00 N ATOM 1439 CA ASP A 91 8.493 -0.364 -17.073 1.00 0.00 C ATOM 1440 C ASP A 91 7.663 -1.121 -16.050 1.00 0.00 C ATOM 1441 O ASP A 91 6.701 -0.580 -15.503 1.00 0.00 O ATOM 1442 CB ASP A 91 9.935 -0.253 -16.571 1.00 0.00 C ATOM 1443 CG ASP A 91 10.832 0.511 -17.517 1.00 0.00 C ATOM 1444 OD1 ASP A 91 10.931 1.750 -17.380 1.00 0.00 O ATOM 1445 OD2 ASP A 91 11.441 -0.120 -18.407 1.00 0.00 O ATOM 0 H ASP A 91 8.433 1.716 -16.831 1.00 0.00 H new ATOM 0 HA ASP A 91 8.486 -0.902 -18.021 1.00 0.00 H new ATOM 0 HB2 ASP A 91 9.938 0.239 -15.598 1.00 0.00 H new ATOM 0 HB3 ASP A 91 10.341 -1.254 -16.423 1.00 0.00 H new ATOM 1450 N GLN A 92 8.033 -2.367 -15.784 1.00 0.00 N ATOM 1451 CA GLN A 92 7.357 -3.141 -14.762 1.00 0.00 C ATOM 1452 C GLN A 92 7.704 -2.568 -13.396 1.00 0.00 C ATOM 1453 O GLN A 92 8.773 -1.982 -13.211 1.00 0.00 O ATOM 1454 CB GLN A 92 7.736 -4.626 -14.859 1.00 0.00 C ATOM 1455 CG GLN A 92 9.143 -4.969 -14.390 1.00 0.00 C ATOM 1456 CD GLN A 92 9.181 -5.461 -12.952 1.00 0.00 C ATOM 1457 OE1 GLN A 92 9.364 -4.685 -12.016 1.00 0.00 O ATOM 1458 NE2 GLN A 92 8.992 -6.758 -12.765 1.00 0.00 N ATOM 0 H GLN A 92 8.791 -2.856 -16.259 1.00 0.00 H new ATOM 0 HA GLN A 92 6.279 -3.076 -14.910 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.023 -5.205 -14.272 1.00 0.00 H new ATOM 0 HB3 GLN A 92 7.628 -4.945 -15.896 1.00 0.00 H new ATOM 0 HG2 GLN A 92 9.562 -5.735 -15.042 1.00 0.00 H new ATOM 0 HG3 GLN A 92 9.778 -4.088 -14.485 1.00 0.00 H new ATOM 0 HE21 GLN A 92 8.843 -7.372 -13.566 1.00 0.00 H new ATOM 0 HE22 GLN A 92 8.995 -7.143 -11.820 1.00 0.00 H new ATOM 1467 N GLN A 93 6.798 -2.718 -12.455 1.00 0.00 N ATOM 1468 CA GLN A 93 6.978 -2.142 -11.134 1.00 0.00 C ATOM 1469 C GLN A 93 6.779 -3.198 -10.065 1.00 0.00 C ATOM 1470 O GLN A 93 5.691 -3.754 -9.931 1.00 0.00 O ATOM 1471 CB GLN A 93 5.995 -0.991 -10.934 1.00 0.00 C ATOM 1472 CG GLN A 93 6.206 0.153 -11.911 1.00 0.00 C ATOM 1473 CD GLN A 93 5.052 1.134 -11.932 1.00 0.00 C ATOM 1474 OE1 GLN A 93 3.902 0.770 -11.698 1.00 0.00 O ATOM 1475 NE2 GLN A 93 5.352 2.391 -12.207 1.00 0.00 N ATOM 0 H GLN A 93 5.927 -3.234 -12.577 1.00 0.00 H new ATOM 0 HA GLN A 93 7.995 -1.758 -11.051 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.978 -1.368 -11.040 1.00 0.00 H new ATOM 0 HB3 GLN A 93 6.090 -0.613 -9.916 1.00 0.00 H new ATOM 0 HG2 GLN A 93 7.122 0.683 -11.649 1.00 0.00 H new ATOM 0 HG3 GLN A 93 6.349 -0.253 -12.912 1.00 0.00 H new ATOM 0 HE21 GLN A 93 6.319 2.655 -12.396 1.00 0.00 H new ATOM 0 HE22 GLN A 93 4.617 3.097 -12.230 1.00 0.00 H new ATOM 1484 N THR A 94 7.836 -3.487 -9.326 1.00 0.00 N ATOM 1485 CA THR A 94 7.770 -4.455 -8.248 1.00 0.00 C ATOM 1486 C THR A 94 7.878 -3.749 -6.902 1.00 0.00 C ATOM 1487 O THR A 94 8.951 -3.285 -6.514 1.00 0.00 O ATOM 1488 CB THR A 94 8.894 -5.502 -8.378 1.00 0.00 C ATOM 1489 OG1 THR A 94 8.887 -6.057 -9.700 1.00 0.00 O ATOM 1490 CG2 THR A 94 8.721 -6.619 -7.357 1.00 0.00 C ATOM 0 H THR A 94 8.754 -3.062 -9.455 1.00 0.00 H new ATOM 0 HA THR A 94 6.810 -4.968 -8.311 1.00 0.00 H new ATOM 0 HB THR A 94 9.846 -5.006 -8.190 1.00 0.00 H new ATOM 0 HG1 THR A 94 9.133 -5.363 -10.347 1.00 0.00 H new ATOM 0 HG21 THR A 94 9.527 -7.344 -7.471 1.00 0.00 H new ATOM 0 HG22 THR A 94 8.749 -6.200 -6.351 1.00 0.00 H new ATOM 0 HG23 THR A 94 7.763 -7.114 -7.518 1.00 0.00 H new ATOM 1498 N VAL A 95 6.756 -3.650 -6.207 1.00 0.00 N ATOM 1499 CA VAL A 95 6.716 -2.992 -4.911 1.00 0.00 C ATOM 1500 C VAL A 95 6.221 -3.954 -3.839 1.00 0.00 C ATOM 1501 O VAL A 95 5.066 -4.380 -3.858 1.00 0.00 O ATOM 1502 CB VAL A 95 5.804 -1.744 -4.932 1.00 0.00 C ATOM 1503 CG1 VAL A 95 5.865 -1.007 -3.602 1.00 0.00 C ATOM 1504 CG2 VAL A 95 6.183 -0.814 -6.076 1.00 0.00 C ATOM 0 H VAL A 95 5.858 -4.018 -6.520 1.00 0.00 H new ATOM 0 HA VAL A 95 7.733 -2.675 -4.681 1.00 0.00 H new ATOM 0 HB VAL A 95 4.779 -2.080 -5.091 1.00 0.00 H new ATOM 0 HG11 VAL A 95 5.215 -0.133 -3.640 1.00 0.00 H new ATOM 0 HG12 VAL A 95 5.534 -1.670 -2.803 1.00 0.00 H new ATOM 0 HG13 VAL A 95 6.890 -0.690 -3.409 1.00 0.00 H new ATOM 0 HG21 VAL A 95 5.527 0.057 -6.070 1.00 0.00 H new ATOM 0 HG22 VAL A 95 7.217 -0.490 -5.955 1.00 0.00 H new ATOM 0 HG23 VAL A 95 6.077 -1.341 -7.024 1.00 0.00 H new ATOM 1514 N ASP A 96 7.101 -4.307 -2.919 1.00 0.00 N ATOM 1515 CA ASP A 96 6.728 -5.156 -1.800 1.00 0.00 C ATOM 1516 C ASP A 96 6.269 -4.296 -0.634 1.00 0.00 C ATOM 1517 O ASP A 96 7.064 -3.588 -0.020 1.00 0.00 O ATOM 1518 CB ASP A 96 7.905 -6.038 -1.363 1.00 0.00 C ATOM 1519 CG ASP A 96 8.131 -7.223 -2.280 1.00 0.00 C ATOM 1520 OD1 ASP A 96 7.539 -8.292 -2.023 1.00 0.00 O ATOM 1521 OD2 ASP A 96 8.915 -7.105 -3.243 1.00 0.00 O ATOM 0 H ASP A 96 8.080 -4.019 -2.924 1.00 0.00 H new ATOM 0 HA ASP A 96 5.913 -5.806 -2.119 1.00 0.00 H new ATOM 0 HB2 ASP A 96 8.812 -5.434 -1.330 1.00 0.00 H new ATOM 0 HB3 ASP A 96 7.725 -6.399 -0.350 1.00 0.00 H new ATOM 1526 N VAL A 97 4.985 -4.350 -0.329 1.00 0.00 N ATOM 1527 CA VAL A 97 4.439 -3.541 0.744 1.00 0.00 C ATOM 1528 C VAL A 97 4.257 -4.375 2.004 1.00 0.00 C ATOM 1529 O VAL A 97 3.556 -5.389 1.998 1.00 0.00 O ATOM 1530 CB VAL A 97 3.091 -2.898 0.350 1.00 0.00 C ATOM 1531 CG1 VAL A 97 2.604 -1.962 1.444 1.00 0.00 C ATOM 1532 CG2 VAL A 97 3.218 -2.154 -0.970 1.00 0.00 C ATOM 0 H VAL A 97 4.305 -4.942 -0.806 1.00 0.00 H new ATOM 0 HA VAL A 97 5.154 -2.741 0.938 1.00 0.00 H new ATOM 0 HB VAL A 97 2.356 -3.694 0.227 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.653 -1.519 1.147 1.00 0.00 H new ATOM 0 HG12 VAL A 97 2.470 -2.522 2.369 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.339 -1.172 1.601 1.00 0.00 H new ATOM 0 HG21 VAL A 97 2.258 -1.708 -1.230 1.00 0.00 H new ATOM 0 HG22 VAL A 97 3.969 -1.369 -0.875 1.00 0.00 H new ATOM 0 HG23 VAL A 97 3.519 -2.850 -1.753 1.00 0.00 H new ATOM 1542 N TYR A 98 4.908 -3.955 3.076 1.00 0.00 N ATOM 1543 CA TYR A 98 4.791 -4.630 4.355 1.00 0.00 C ATOM 1544 C TYR A 98 3.721 -3.974 5.209 1.00 0.00 C ATOM 1545 O TYR A 98 3.782 -2.774 5.485 1.00 0.00 O ATOM 1546 CB TYR A 98 6.122 -4.606 5.110 1.00 0.00 C ATOM 1547 CG TYR A 98 7.203 -5.472 4.507 1.00 0.00 C ATOM 1548 CD1 TYR A 98 7.856 -5.102 3.337 1.00 0.00 C ATOM 1549 CD2 TYR A 98 7.575 -6.660 5.117 1.00 0.00 C ATOM 1550 CE1 TYR A 98 8.849 -5.895 2.796 1.00 0.00 C ATOM 1551 CE2 TYR A 98 8.568 -7.454 4.586 1.00 0.00 C ATOM 1552 CZ TYR A 98 9.202 -7.070 3.426 1.00 0.00 C ATOM 1553 OH TYR A 98 10.191 -7.865 2.898 1.00 0.00 O ATOM 0 H TYR A 98 5.527 -3.144 3.084 1.00 0.00 H new ATOM 0 HA TYR A 98 4.513 -5.665 4.157 1.00 0.00 H new ATOM 0 HB2 TYR A 98 6.481 -3.578 5.154 1.00 0.00 H new ATOM 0 HB3 TYR A 98 5.948 -4.927 6.137 1.00 0.00 H new ATOM 0 HD1 TYR A 98 7.583 -4.181 2.844 1.00 0.00 H new ATOM 0 HD2 TYR A 98 7.078 -6.969 6.025 1.00 0.00 H new ATOM 0 HE1 TYR A 98 9.346 -5.597 1.885 1.00 0.00 H new ATOM 0 HE2 TYR A 98 8.848 -8.374 5.078 1.00 0.00 H new ATOM 0 HH TYR A 98 10.315 -8.654 3.466 1.00 0.00 H new ATOM 1563 N PHE A 99 2.745 -4.759 5.615 1.00 0.00 N ATOM 1564 CA PHE A 99 1.748 -4.301 6.560 1.00 0.00 C ATOM 1565 C PHE A 99 1.965 -4.998 7.889 1.00 0.00 C ATOM 1566 O PHE A 99 1.782 -6.211 8.004 1.00 0.00 O ATOM 1567 CB PHE A 99 0.337 -4.573 6.043 1.00 0.00 C ATOM 1568 CG PHE A 99 -0.048 -3.732 4.862 1.00 0.00 C ATOM 1569 CD1 PHE A 99 -0.424 -2.410 5.033 1.00 0.00 C ATOM 1570 CD2 PHE A 99 -0.041 -4.263 3.583 1.00 0.00 C ATOM 1571 CE1 PHE A 99 -0.788 -1.633 3.950 1.00 0.00 C ATOM 1572 CE2 PHE A 99 -0.404 -3.489 2.496 1.00 0.00 C ATOM 1573 CZ PHE A 99 -0.779 -2.174 2.680 1.00 0.00 C ATOM 0 H PHE A 99 2.621 -5.722 5.303 1.00 0.00 H new ATOM 0 HA PHE A 99 1.852 -3.224 6.689 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.257 -5.625 5.770 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.375 -4.398 6.849 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.433 -1.982 6.024 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.251 -5.292 3.433 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -1.079 -0.603 4.097 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -0.394 -3.914 1.503 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.065 -1.569 1.832 1.00 0.00 H new ATOM 1583 N GLN A 100 2.375 -4.231 8.882 1.00 0.00 N ATOM 1584 CA GLN A 100 2.724 -4.789 10.174 1.00 0.00 C ATOM 1585 C GLN A 100 1.875 -4.176 11.273 1.00 0.00 C ATOM 1586 O GLN A 100 1.593 -2.983 11.257 1.00 0.00 O ATOM 1587 CB GLN A 100 4.212 -4.570 10.459 1.00 0.00 C ATOM 1588 CG GLN A 100 4.647 -3.117 10.373 1.00 0.00 C ATOM 1589 CD GLN A 100 6.153 -2.963 10.367 1.00 0.00 C ATOM 1590 OE1 GLN A 100 6.783 -2.962 9.308 1.00 0.00 O ATOM 1591 NE2 GLN A 100 6.743 -2.849 11.545 1.00 0.00 N ATOM 0 H GLN A 100 2.474 -3.218 8.818 1.00 0.00 H new ATOM 0 HA GLN A 100 2.526 -5.861 10.152 1.00 0.00 H new ATOM 0 HB2 GLN A 100 4.441 -4.949 11.455 1.00 0.00 H new ATOM 0 HB3 GLN A 100 4.798 -5.157 9.752 1.00 0.00 H new ATOM 0 HG2 GLN A 100 4.236 -2.671 9.468 1.00 0.00 H new ATOM 0 HG3 GLN A 100 4.232 -2.566 11.217 1.00 0.00 H new ATOM 0 HE21 GLN A 100 6.184 -2.854 12.398 1.00 0.00 H new ATOM 0 HE22 GLN A 100 7.757 -2.756 11.601 1.00 0.00 H new ATOM 1600 N ASP A 101 1.461 -5.002 12.212 1.00 0.00 N ATOM 1601 CA ASP A 101 0.646 -4.550 13.332 1.00 0.00 C ATOM 1602 C ASP A 101 1.418 -4.733 14.636 1.00 0.00 C ATOM 1603 O ASP A 101 2.350 -5.538 14.691 1.00 0.00 O ATOM 1604 CB ASP A 101 -0.672 -5.330 13.362 1.00 0.00 C ATOM 1605 CG ASP A 101 -1.518 -4.995 14.568 1.00 0.00 C ATOM 1606 OD1 ASP A 101 -2.217 -3.971 14.544 1.00 0.00 O ATOM 1607 OD2 ASP A 101 -1.462 -5.750 15.555 1.00 0.00 O ATOM 0 H ASP A 101 1.675 -5.999 12.225 1.00 0.00 H new ATOM 0 HA ASP A 101 0.415 -3.491 13.213 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -1.238 -5.116 12.455 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -0.458 -6.399 13.359 1.00 0.00 H new ATOM 1612 N SER A 102 1.039 -4.001 15.682 1.00 0.00 N ATOM 1613 CA SER A 102 1.770 -4.055 16.946 1.00 0.00 C ATOM 1614 C SER A 102 1.547 -5.376 17.693 1.00 0.00 C ATOM 1615 O SER A 102 2.152 -5.619 18.739 1.00 0.00 O ATOM 1616 CB SER A 102 1.423 -2.850 17.828 1.00 0.00 C ATOM 1617 OG SER A 102 0.042 -2.532 17.787 1.00 0.00 O ATOM 0 H SER A 102 0.238 -3.369 15.680 1.00 0.00 H new ATOM 0 HA SER A 102 2.832 -4.008 16.706 1.00 0.00 H new ATOM 0 HB2 SER A 102 1.715 -3.060 18.857 1.00 0.00 H new ATOM 0 HB3 SER A 102 2.002 -1.986 17.503 1.00 0.00 H new ATOM 0 HG SER A 102 -0.480 -3.303 18.093 1.00 0.00 H new ATOM 1623 N PHE A 103 0.688 -6.231 17.151 1.00 0.00 N ATOM 1624 CA PHE A 103 0.536 -7.590 17.655 1.00 0.00 C ATOM 1625 C PHE A 103 1.675 -8.461 17.123 1.00 0.00 C ATOM 1626 O PHE A 103 1.965 -9.534 17.654 1.00 0.00 O ATOM 1627 CB PHE A 103 -0.822 -8.161 17.226 1.00 0.00 C ATOM 1628 CG PHE A 103 -1.102 -9.553 17.722 1.00 0.00 C ATOM 1629 CD1 PHE A 103 -1.475 -9.771 19.037 1.00 0.00 C ATOM 1630 CD2 PHE A 103 -0.998 -10.643 16.869 1.00 0.00 C ATOM 1631 CE1 PHE A 103 -1.738 -11.049 19.495 1.00 0.00 C ATOM 1632 CE2 PHE A 103 -1.260 -11.922 17.321 1.00 0.00 C ATOM 1633 CZ PHE A 103 -1.630 -12.125 18.635 1.00 0.00 C ATOM 0 H PHE A 103 0.084 -6.006 16.360 1.00 0.00 H new ATOM 0 HA PHE A 103 0.576 -7.580 18.744 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -1.609 -7.497 17.583 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -0.874 -8.160 16.137 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -1.562 -8.933 19.713 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -0.709 -10.490 15.840 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -2.027 -11.206 20.524 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -1.175 -12.762 16.647 1.00 0.00 H new ATOM 0 HZ PHE A 103 -1.835 -13.124 18.991 1.00 0.00 H new ATOM 1643 N GLY A 104 2.330 -7.979 16.070 1.00 0.00 N ATOM 1644 CA GLY A 104 3.448 -8.696 15.492 1.00 0.00 C ATOM 1645 C GLY A 104 3.118 -9.302 14.144 1.00 0.00 C ATOM 1646 O GLY A 104 4.004 -9.812 13.452 1.00 0.00 O ATOM 0 H GLY A 104 2.103 -7.099 15.606 1.00 0.00 H new ATOM 0 HA2 GLY A 104 4.293 -8.017 15.383 1.00 0.00 H new ATOM 0 HA3 GLY A 104 3.760 -9.486 16.175 1.00 0.00 H new ATOM 1650 N GLN A 105 1.846 -9.246 13.767 1.00 0.00 N ATOM 1651 CA GLN A 105 1.404 -9.798 12.496 1.00 0.00 C ATOM 1652 C GLN A 105 2.022 -9.020 11.336 1.00 0.00 C ATOM 1653 O GLN A 105 2.175 -7.798 11.404 1.00 0.00 O ATOM 1654 CB GLN A 105 -0.126 -9.781 12.412 1.00 0.00 C ATOM 1655 CG GLN A 105 -0.682 -10.400 11.137 1.00 0.00 C ATOM 1656 CD GLN A 105 -0.228 -11.836 10.929 1.00 0.00 C ATOM 1657 OE1 GLN A 105 0.806 -12.089 10.308 1.00 0.00 O ATOM 1658 NE2 GLN A 105 -0.993 -12.784 11.447 1.00 0.00 N ATOM 0 H GLN A 105 1.104 -8.823 14.325 1.00 0.00 H new ATOM 0 HA GLN A 105 1.738 -10.833 12.427 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -0.533 -10.315 13.271 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -0.472 -8.750 12.484 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -1.771 -10.370 11.170 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -0.372 -9.799 10.282 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -1.842 -12.534 11.955 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -0.734 -13.765 11.339 1.00 0.00 H new ATOM 1667 N LEU A 106 2.384 -9.737 10.286 1.00 0.00 N ATOM 1668 CA LEU A 106 3.060 -9.145 9.145 1.00 0.00 C ATOM 1669 C LEU A 106 2.478 -9.714 7.858 1.00 0.00 C ATOM 1670 O LEU A 106 2.532 -10.922 7.626 1.00 0.00 O ATOM 1671 CB LEU A 106 4.570 -9.442 9.237 1.00 0.00 C ATOM 1672 CG LEU A 106 5.501 -8.633 8.312 1.00 0.00 C ATOM 1673 CD1 LEU A 106 5.327 -9.020 6.852 1.00 0.00 C ATOM 1674 CD2 LEU A 106 5.272 -7.144 8.491 1.00 0.00 C ATOM 0 H LEU A 106 2.219 -10.740 10.200 1.00 0.00 H new ATOM 0 HA LEU A 106 2.914 -8.065 9.145 1.00 0.00 H new ATOM 0 HB2 LEU A 106 4.886 -9.274 10.267 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.720 -10.501 9.026 1.00 0.00 H new ATOM 0 HG LEU A 106 6.526 -8.871 8.598 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.002 -8.426 6.235 1.00 0.00 H new ATOM 0 HD12 LEU A 106 5.557 -10.078 6.726 1.00 0.00 H new ATOM 0 HD13 LEU A 106 4.297 -8.834 6.546 1.00 0.00 H new ATOM 0 HD21 LEU A 106 5.939 -6.591 7.829 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.237 -6.903 8.247 1.00 0.00 H new ATOM 0 HD23 LEU A 106 5.475 -6.866 9.525 1.00 0.00 H new ATOM 1686 N GLN A 107 1.907 -8.853 7.034 1.00 0.00 N ATOM 1687 CA GLN A 107 1.432 -9.265 5.725 1.00 0.00 C ATOM 1688 C GLN A 107 2.170 -8.522 4.624 1.00 0.00 C ATOM 1689 O GLN A 107 2.048 -7.306 4.479 1.00 0.00 O ATOM 1690 CB GLN A 107 -0.079 -9.074 5.587 1.00 0.00 C ATOM 1691 CG GLN A 107 -0.851 -10.353 5.859 1.00 0.00 C ATOM 1692 CD GLN A 107 -2.346 -10.213 5.659 1.00 0.00 C ATOM 1693 OE1 GLN A 107 -2.820 -9.390 4.874 1.00 0.00 O ATOM 1694 NE2 GLN A 107 -3.099 -11.038 6.360 1.00 0.00 N ATOM 0 H GLN A 107 1.761 -7.866 7.247 1.00 0.00 H new ATOM 0 HA GLN A 107 1.640 -10.330 5.622 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -0.409 -8.299 6.279 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -0.308 -8.722 4.581 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -0.477 -11.140 5.203 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -0.658 -10.673 6.883 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -2.666 -11.705 6.999 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -4.114 -11.009 6.263 1.00 0.00 H new ATOM 1703 N GLN A 108 2.957 -9.268 3.873 1.00 0.00 N ATOM 1704 CA GLN A 108 3.718 -8.716 2.769 1.00 0.00 C ATOM 1705 C GLN A 108 2.938 -8.850 1.467 1.00 0.00 C ATOM 1706 O GLN A 108 2.699 -9.956 0.981 1.00 0.00 O ATOM 1707 CB GLN A 108 5.066 -9.432 2.671 1.00 0.00 C ATOM 1708 CG GLN A 108 5.876 -9.072 1.438 1.00 0.00 C ATOM 1709 CD GLN A 108 7.199 -9.807 1.390 1.00 0.00 C ATOM 1710 OE1 GLN A 108 7.332 -10.898 1.938 1.00 0.00 O ATOM 1711 NE2 GLN A 108 8.175 -9.229 0.715 1.00 0.00 N ATOM 0 H GLN A 108 3.087 -10.270 4.010 1.00 0.00 H new ATOM 0 HA GLN A 108 3.894 -7.655 2.947 1.00 0.00 H new ATOM 0 HB2 GLN A 108 5.654 -9.198 3.559 1.00 0.00 H new ATOM 0 HB3 GLN A 108 4.894 -10.508 2.677 1.00 0.00 H new ATOM 0 HG2 GLN A 108 5.298 -9.308 0.544 1.00 0.00 H new ATOM 0 HG3 GLN A 108 6.058 -7.997 1.426 1.00 0.00 H new ATOM 0 HE21 GLN A 108 8.023 -8.322 0.275 1.00 0.00 H new ATOM 0 HE22 GLN A 108 9.081 -9.690 0.634 1.00 0.00 H new ATOM 1720 N LEU A 109 2.522 -7.721 0.923 1.00 0.00 N ATOM 1721 CA LEU A 109 1.794 -7.709 -0.330 1.00 0.00 C ATOM 1722 C LEU A 109 2.697 -7.219 -1.452 1.00 0.00 C ATOM 1723 O LEU A 109 3.105 -6.058 -1.472 1.00 0.00 O ATOM 1724 CB LEU A 109 0.547 -6.826 -0.222 1.00 0.00 C ATOM 1725 CG LEU A 109 -0.492 -7.287 0.805 1.00 0.00 C ATOM 1726 CD1 LEU A 109 -1.694 -6.362 0.796 1.00 0.00 C ATOM 1727 CD2 LEU A 109 -0.927 -8.715 0.522 1.00 0.00 C ATOM 0 H LEU A 109 2.677 -6.799 1.331 1.00 0.00 H new ATOM 0 HA LEU A 109 1.472 -8.726 -0.556 1.00 0.00 H new ATOM 0 HB2 LEU A 109 0.860 -5.813 0.031 1.00 0.00 H new ATOM 0 HB3 LEU A 109 0.070 -6.777 -1.201 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.033 -7.254 1.793 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -2.422 -6.704 1.531 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.376 -5.350 1.044 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -2.149 -6.367 -0.194 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -1.665 -9.024 1.262 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -1.367 -8.771 -0.474 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -0.062 -9.376 0.574 1.00 0.00 H new ATOM 1739 N THR A 110 3.018 -8.112 -2.372 1.00 0.00 N ATOM 1740 CA THR A 110 3.892 -7.775 -3.478 1.00 0.00 C ATOM 1741 C THR A 110 3.068 -7.316 -4.677 1.00 0.00 C ATOM 1742 O THR A 110 2.312 -8.095 -5.258 1.00 0.00 O ATOM 1743 CB THR A 110 4.756 -8.987 -3.887 1.00 0.00 C ATOM 1744 OG1 THR A 110 5.388 -9.554 -2.728 1.00 0.00 O ATOM 1745 CG2 THR A 110 5.817 -8.581 -4.901 1.00 0.00 C ATOM 0 H THR A 110 2.685 -9.076 -2.373 1.00 0.00 H new ATOM 0 HA THR A 110 4.549 -6.968 -3.154 1.00 0.00 H new ATOM 0 HB THR A 110 4.104 -9.730 -4.346 1.00 0.00 H new ATOM 0 HG1 THR A 110 6.305 -9.217 -2.658 1.00 0.00 H new ATOM 0 HG21 THR A 110 6.413 -9.452 -5.173 1.00 0.00 H new ATOM 0 HG22 THR A 110 5.334 -8.179 -5.792 1.00 0.00 H new ATOM 0 HG23 THR A 110 6.465 -7.821 -4.465 1.00 0.00 H new ATOM 1753 N PHE A 111 3.199 -6.048 -5.032 1.00 0.00 N ATOM 1754 CA PHE A 111 2.482 -5.500 -6.169 1.00 0.00 C ATOM 1755 C PHE A 111 3.401 -5.409 -7.375 1.00 0.00 C ATOM 1756 O PHE A 111 4.446 -4.761 -7.320 1.00 0.00 O ATOM 1757 CB PHE A 111 1.914 -4.115 -5.843 1.00 0.00 C ATOM 1758 CG PHE A 111 0.862 -4.130 -4.770 1.00 0.00 C ATOM 1759 CD1 PHE A 111 -0.450 -4.457 -5.073 1.00 0.00 C ATOM 1760 CD2 PHE A 111 1.184 -3.813 -3.461 1.00 0.00 C ATOM 1761 CE1 PHE A 111 -1.423 -4.468 -4.090 1.00 0.00 C ATOM 1762 CE2 PHE A 111 0.216 -3.823 -2.474 1.00 0.00 C ATOM 1763 CZ PHE A 111 -1.089 -4.151 -2.789 1.00 0.00 C ATOM 0 H PHE A 111 3.797 -5.379 -4.547 1.00 0.00 H new ATOM 0 HA PHE A 111 1.652 -6.168 -6.399 1.00 0.00 H new ATOM 0 HB2 PHE A 111 2.729 -3.462 -5.531 1.00 0.00 H new ATOM 0 HB3 PHE A 111 1.489 -3.684 -6.750 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -0.716 -4.706 -6.090 1.00 0.00 H new ATOM 0 HD2 PHE A 111 2.202 -3.555 -3.209 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.442 -4.724 -4.340 1.00 0.00 H new ATOM 0 HE2 PHE A 111 0.480 -3.574 -1.457 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.846 -4.159 -2.019 1.00 0.00 H new ATOM 1773 N SER A 112 3.018 -6.069 -8.453 1.00 0.00 N ATOM 1774 CA SER A 112 3.787 -6.020 -9.677 1.00 0.00 C ATOM 1775 C SER A 112 2.911 -5.484 -10.802 1.00 0.00 C ATOM 1776 O SER A 112 1.978 -6.149 -11.251 1.00 0.00 O ATOM 1777 CB SER A 112 4.339 -7.408 -10.022 1.00 0.00 C ATOM 1778 OG SER A 112 5.313 -7.345 -11.052 1.00 0.00 O ATOM 0 H SER A 112 2.178 -6.645 -8.503 1.00 0.00 H new ATOM 0 HA SER A 112 4.637 -5.351 -9.543 1.00 0.00 H new ATOM 0 HB2 SER A 112 4.780 -7.856 -9.131 1.00 0.00 H new ATOM 0 HB3 SER A 112 3.521 -8.058 -10.334 1.00 0.00 H new ATOM 0 HG SER A 112 5.644 -8.247 -11.245 1.00 0.00 H new ATOM 1784 N PHE A 113 3.200 -4.265 -11.221 1.00 0.00 N ATOM 1785 CA PHE A 113 2.449 -3.625 -12.294 1.00 0.00 C ATOM 1786 C PHE A 113 3.179 -3.803 -13.613 1.00 0.00 C ATOM 1787 O PHE A 113 4.411 -3.840 -13.631 1.00 0.00 O ATOM 1788 CB PHE A 113 2.245 -2.138 -12.001 1.00 0.00 C ATOM 1789 CG PHE A 113 1.457 -1.869 -10.750 1.00 0.00 C ATOM 1790 CD1 PHE A 113 0.072 -1.920 -10.763 1.00 0.00 C ATOM 1791 CD2 PHE A 113 2.102 -1.565 -9.563 1.00 0.00 C ATOM 1792 CE1 PHE A 113 -0.656 -1.673 -9.615 1.00 0.00 C ATOM 1793 CE2 PHE A 113 1.379 -1.315 -8.411 1.00 0.00 C ATOM 1794 CZ PHE A 113 -0.001 -1.370 -8.436 1.00 0.00 C ATOM 0 H PHE A 113 3.952 -3.694 -10.835 1.00 0.00 H new ATOM 0 HA PHE A 113 1.469 -4.098 -12.361 1.00 0.00 H new ATOM 0 HB2 PHE A 113 3.219 -1.657 -11.916 1.00 0.00 H new ATOM 0 HB3 PHE A 113 1.735 -1.677 -12.847 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -0.444 -2.156 -11.682 1.00 0.00 H new ATOM 0 HD2 PHE A 113 3.181 -1.523 -9.537 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -1.735 -1.717 -9.639 1.00 0.00 H new ATOM 0 HE2 PHE A 113 1.893 -1.077 -7.492 1.00 0.00 H new ATOM 0 HZ PHE A 113 -0.567 -1.177 -7.537 1.00 0.00 H new ATOM 1804 N ASN A 114 2.417 -3.898 -14.704 1.00 0.00 N ATOM 1805 CA ASN A 114 2.972 -4.197 -16.025 1.00 0.00 C ATOM 1806 C ASN A 114 3.623 -5.574 -16.002 1.00 0.00 C ATOM 1807 O ASN A 114 4.811 -5.713 -15.721 1.00 0.00 O ATOM 1808 CB ASN A 114 3.977 -3.121 -16.469 1.00 0.00 C ATOM 1809 CG ASN A 114 3.330 -1.761 -16.660 1.00 0.00 C ATOM 1810 OD1 ASN A 114 2.169 -1.657 -17.054 1.00 0.00 O ATOM 1811 ND2 ASN A 114 4.073 -0.705 -16.371 1.00 0.00 N ATOM 0 H ASN A 114 1.405 -3.771 -14.698 1.00 0.00 H new ATOM 0 HA ASN A 114 2.160 -4.197 -16.752 1.00 0.00 H new ATOM 0 HB2 ASN A 114 4.770 -3.041 -15.725 1.00 0.00 H new ATOM 0 HB3 ASN A 114 4.446 -3.430 -17.403 1.00 0.00 H new ATOM 0 HD21 ASN A 114 3.687 0.234 -16.472 1.00 0.00 H new ATOM 0 HD22 ASN A 114 5.032 -0.830 -16.047 1.00 0.00 H new ATOM 1818 N ASN A 115 2.816 -6.590 -16.278 1.00 0.00 N ATOM 1819 CA ASN A 115 3.236 -7.977 -16.120 1.00 0.00 C ATOM 1820 C ASN A 115 4.351 -8.352 -17.092 1.00 0.00 C ATOM 1821 O ASN A 115 5.513 -8.434 -16.687 1.00 0.00 O ATOM 1822 CB ASN A 115 2.036 -8.920 -16.286 1.00 0.00 C ATOM 1823 CG ASN A 115 2.398 -10.391 -16.140 1.00 0.00 C ATOM 1824 OD1 ASN A 115 2.457 -10.924 -15.032 1.00 0.00 O ATOM 1825 ND2 ASN A 115 2.618 -11.065 -17.261 1.00 0.00 N ATOM 0 H ASN A 115 1.860 -6.478 -16.615 1.00 0.00 H new ATOM 0 HA ASN A 115 3.636 -8.085 -15.112 1.00 0.00 H new ATOM 0 HB2 ASN A 115 1.278 -8.665 -15.546 1.00 0.00 H new ATOM 0 HB3 ASN A 115 1.590 -8.759 -17.267 1.00 0.00 H new ATOM 0 HD21 ASN A 115 2.845 -12.059 -17.222 1.00 0.00 H new ATOM 0 HD22 ASN A 115 2.560 -10.590 -18.162 1.00 0.00 H new ATOM 1832 N ASP A 116 3.991 -8.562 -18.366 1.00 0.00 N ATOM 1833 CA ASP A 116 4.926 -9.057 -19.387 1.00 0.00 C ATOM 1834 C ASP A 116 5.500 -10.406 -18.982 1.00 0.00 C ATOM 1835 O ASP A 116 5.028 -11.451 -19.429 1.00 0.00 O ATOM 1836 CB ASP A 116 6.059 -8.056 -19.650 1.00 0.00 C ATOM 1837 CG ASP A 116 5.612 -6.883 -20.495 1.00 0.00 C ATOM 1838 OD1 ASP A 116 5.707 -6.973 -21.734 1.00 0.00 O ATOM 1839 OD2 ASP A 116 5.163 -5.866 -19.925 1.00 0.00 O ATOM 0 H ASP A 116 3.048 -8.395 -18.717 1.00 0.00 H new ATOM 0 HA ASP A 116 4.363 -9.177 -20.313 1.00 0.00 H new ATOM 0 HB2 ASP A 116 6.443 -7.689 -18.698 1.00 0.00 H new ATOM 0 HB3 ASP A 116 6.882 -8.567 -20.150 1.00 0.00 H new ATOM 1844 N SER A 117 6.515 -10.357 -18.137 1.00 0.00 N ATOM 1845 CA SER A 117 7.075 -11.532 -17.493 1.00 0.00 C ATOM 1846 C SER A 117 7.798 -12.443 -18.485 1.00 0.00 C ATOM 1847 O SER A 117 7.189 -13.287 -19.141 1.00 0.00 O ATOM 1848 CB SER A 117 5.977 -12.303 -16.752 1.00 0.00 C ATOM 1849 OG SER A 117 6.521 -13.298 -15.909 1.00 0.00 O ATOM 0 H SER A 117 6.980 -9.488 -17.875 1.00 0.00 H new ATOM 0 HA SER A 117 7.818 -11.189 -16.773 1.00 0.00 H new ATOM 0 HB2 SER A 117 5.380 -11.609 -16.160 1.00 0.00 H new ATOM 0 HB3 SER A 117 5.304 -12.765 -17.475 1.00 0.00 H new ATOM 0 HG SER A 117 5.795 -13.770 -15.450 1.00 0.00 H new ATOM 1855 N SER A 118 9.099 -12.238 -18.608 1.00 0.00 N ATOM 1856 CA SER A 118 9.953 -13.160 -19.333 1.00 0.00 C ATOM 1857 C SER A 118 10.302 -14.324 -18.411 1.00 0.00 C ATOM 1858 O SER A 118 9.821 -15.442 -18.590 1.00 0.00 O ATOM 1859 CB SER A 118 11.213 -12.429 -19.804 1.00 0.00 C ATOM 1860 OG SER A 118 11.749 -11.623 -18.764 1.00 0.00 O ATOM 0 H SER A 118 9.588 -11.435 -18.212 1.00 0.00 H new ATOM 0 HA SER A 118 9.441 -13.547 -20.214 1.00 0.00 H new ATOM 0 HB2 SER A 118 11.959 -13.154 -20.129 1.00 0.00 H new ATOM 0 HB3 SER A 118 10.976 -11.807 -20.667 1.00 0.00 H new ATOM 0 HG SER A 118 12.554 -11.166 -19.086 1.00 0.00 H new ATOM 1866 N LYS A 119 11.138 -14.029 -17.419 1.00 0.00 N ATOM 1867 CA LYS A 119 11.360 -14.903 -16.267 1.00 0.00 C ATOM 1868 C LYS A 119 11.942 -16.266 -16.642 1.00 0.00 C ATOM 1869 O LYS A 119 11.853 -17.211 -15.857 1.00 0.00 O ATOM 1870 CB LYS A 119 10.051 -15.102 -15.498 1.00 0.00 C ATOM 1871 CG LYS A 119 9.389 -13.804 -15.060 1.00 0.00 C ATOM 1872 CD LYS A 119 10.279 -12.984 -14.139 1.00 0.00 C ATOM 1873 CE LYS A 119 9.597 -11.684 -13.732 1.00 0.00 C ATOM 1874 NZ LYS A 119 8.387 -11.925 -12.899 1.00 0.00 N ATOM 0 H LYS A 119 11.686 -13.169 -17.390 1.00 0.00 H new ATOM 0 HA LYS A 119 12.099 -14.402 -15.641 1.00 0.00 H new ATOM 0 HB2 LYS A 119 9.355 -15.660 -16.124 1.00 0.00 H new ATOM 0 HB3 LYS A 119 10.248 -15.713 -14.617 1.00 0.00 H new ATOM 0 HG2 LYS A 119 9.137 -13.212 -15.940 1.00 0.00 H new ATOM 0 HG3 LYS A 119 8.453 -14.030 -14.550 1.00 0.00 H new ATOM 0 HD2 LYS A 119 10.521 -13.565 -13.249 1.00 0.00 H new ATOM 0 HD3 LYS A 119 11.221 -12.763 -14.641 1.00 0.00 H new ATOM 0 HE2 LYS A 119 10.301 -11.064 -13.177 1.00 0.00 H new ATOM 0 HE3 LYS A 119 9.317 -11.127 -14.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 8.072 -11.028 -12.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 7.628 -12.314 -13.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 8.615 -12.602 -12.143 1.00 0.00 H new ATOM 1888 N GLU A 120 12.552 -16.376 -17.813 1.00 0.00 N ATOM 1889 CA GLU A 120 13.215 -17.619 -18.182 1.00 0.00 C ATOM 1890 C GLU A 120 14.554 -17.699 -17.464 1.00 0.00 C ATOM 1891 O GLU A 120 15.052 -18.782 -17.157 1.00 0.00 O ATOM 1892 CB GLU A 120 13.404 -17.747 -19.703 1.00 0.00 C ATOM 1893 CG GLU A 120 14.258 -16.657 -20.337 1.00 0.00 C ATOM 1894 CD GLU A 120 13.523 -15.343 -20.478 1.00 0.00 C ATOM 1895 OE1 GLU A 120 12.854 -15.144 -21.515 1.00 0.00 O ATOM 1896 OE2 GLU A 120 13.609 -14.509 -19.556 1.00 0.00 O ATOM 0 H GLU A 120 12.602 -15.635 -18.513 1.00 0.00 H new ATOM 0 HA GLU A 120 12.580 -18.451 -17.876 1.00 0.00 H new ATOM 0 HB2 GLU A 120 13.857 -18.715 -19.918 1.00 0.00 H new ATOM 0 HB3 GLU A 120 12.423 -17.742 -20.178 1.00 0.00 H new ATOM 0 HG2 GLU A 120 15.152 -16.505 -19.732 1.00 0.00 H new ATOM 0 HG3 GLU A 120 14.591 -16.989 -21.320 1.00 0.00 H new ATOM 1903 N GLU A 121 15.117 -16.533 -17.186 1.00 0.00 N ATOM 1904 CA GLU A 121 16.339 -16.419 -16.415 1.00 0.00 C ATOM 1905 C GLU A 121 16.398 -15.047 -15.759 1.00 0.00 C ATOM 1906 O GLU A 121 16.043 -14.039 -16.374 1.00 0.00 O ATOM 1907 CB GLU A 121 17.564 -16.647 -17.306 1.00 0.00 C ATOM 1908 CG GLU A 121 17.651 -15.701 -18.492 1.00 0.00 C ATOM 1909 CD GLU A 121 18.795 -16.046 -19.417 1.00 0.00 C ATOM 1910 OE1 GLU A 121 19.962 -15.985 -18.976 1.00 0.00 O ATOM 1911 OE2 GLU A 121 18.536 -16.375 -20.594 1.00 0.00 O ATOM 0 H GLU A 121 14.735 -15.638 -17.491 1.00 0.00 H new ATOM 0 HA GLU A 121 16.344 -17.185 -15.639 1.00 0.00 H new ATOM 0 HB2 GLU A 121 18.465 -16.539 -16.702 1.00 0.00 H new ATOM 0 HB3 GLU A 121 17.547 -17.673 -17.673 1.00 0.00 H new ATOM 0 HG2 GLU A 121 16.714 -15.732 -19.049 1.00 0.00 H new ATOM 0 HG3 GLU A 121 17.773 -14.680 -18.131 1.00 0.00 H new ATOM 1918 N GLU A 122 16.817 -15.004 -14.508 1.00 0.00 N ATOM 1919 CA GLU A 122 16.863 -13.750 -13.776 1.00 0.00 C ATOM 1920 C GLU A 122 18.165 -13.002 -14.048 1.00 0.00 C ATOM 1921 O GLU A 122 19.147 -13.130 -13.314 1.00 0.00 O ATOM 1922 CB GLU A 122 16.651 -13.966 -12.265 1.00 0.00 C ATOM 1923 CG GLU A 122 17.536 -15.034 -11.623 1.00 0.00 C ATOM 1924 CD GLU A 122 17.120 -16.442 -11.992 1.00 0.00 C ATOM 1925 OE1 GLU A 122 16.167 -16.964 -11.377 1.00 0.00 O ATOM 1926 OE2 GLU A 122 17.744 -17.030 -12.902 1.00 0.00 O ATOM 0 H GLU A 122 17.129 -15.818 -13.979 1.00 0.00 H new ATOM 0 HA GLU A 122 16.040 -13.132 -14.135 1.00 0.00 H new ATOM 0 HB2 GLU A 122 16.824 -13.020 -11.753 1.00 0.00 H new ATOM 0 HB3 GLU A 122 15.608 -14.234 -12.097 1.00 0.00 H new ATOM 0 HG2 GLU A 122 18.570 -14.874 -11.929 1.00 0.00 H new ATOM 0 HG3 GLU A 122 17.503 -14.923 -10.539 1.00 0.00 H new ATOM 1933 N LEU A 123 18.175 -12.241 -15.136 1.00 0.00 N ATOM 1934 CA LEU A 123 19.318 -11.416 -15.481 1.00 0.00 C ATOM 1935 C LEU A 123 18.862 -10.125 -16.155 1.00 0.00 C ATOM 1936 O LEU A 123 18.479 -10.119 -17.325 1.00 0.00 O ATOM 1937 CB LEU A 123 20.289 -12.174 -16.390 1.00 0.00 C ATOM 1938 CG LEU A 123 21.564 -11.406 -16.750 1.00 0.00 C ATOM 1939 CD1 LEU A 123 22.358 -11.064 -15.498 1.00 0.00 C ATOM 1940 CD2 LEU A 123 22.415 -12.210 -17.717 1.00 0.00 C ATOM 0 H LEU A 123 17.399 -12.181 -15.795 1.00 0.00 H new ATOM 0 HA LEU A 123 19.841 -11.164 -14.558 1.00 0.00 H new ATOM 0 HB2 LEU A 123 20.569 -13.107 -15.901 1.00 0.00 H new ATOM 0 HB3 LEU A 123 19.770 -12.440 -17.311 1.00 0.00 H new ATOM 0 HG LEU A 123 21.275 -10.474 -17.237 1.00 0.00 H new ATOM 0 HD11 LEU A 123 23.260 -10.519 -15.777 1.00 0.00 H new ATOM 0 HD12 LEU A 123 21.749 -10.446 -14.839 1.00 0.00 H new ATOM 0 HD13 LEU A 123 22.635 -11.983 -14.981 1.00 0.00 H new ATOM 0 HD21 LEU A 123 23.317 -11.649 -17.962 1.00 0.00 H new ATOM 0 HD22 LEU A 123 22.692 -13.158 -17.256 1.00 0.00 H new ATOM 0 HD23 LEU A 123 21.848 -12.401 -18.628 1.00 0.00 H new ATOM 1952 N GLU A 124 18.885 -9.048 -15.385 1.00 0.00 N ATOM 1953 CA GLU A 124 18.546 -7.712 -15.870 1.00 0.00 C ATOM 1954 C GLU A 124 18.849 -6.716 -14.766 1.00 0.00 C ATOM 1955 O GLU A 124 19.393 -5.637 -14.998 1.00 0.00 O ATOM 1956 CB GLU A 124 17.067 -7.598 -16.257 1.00 0.00 C ATOM 1957 CG GLU A 124 16.725 -6.270 -16.921 1.00 0.00 C ATOM 1958 CD GLU A 124 15.235 -6.004 -16.996 1.00 0.00 C ATOM 1959 OE1 GLU A 124 14.566 -6.581 -17.877 1.00 0.00 O ATOM 1960 OE2 GLU A 124 14.734 -5.195 -16.182 1.00 0.00 O ATOM 0 H GLU A 124 19.141 -9.073 -14.398 1.00 0.00 H new ATOM 0 HA GLU A 124 19.136 -7.509 -16.764 1.00 0.00 H new ATOM 0 HB2 GLU A 124 16.811 -8.413 -16.934 1.00 0.00 H new ATOM 0 HB3 GLU A 124 16.453 -7.720 -15.364 1.00 0.00 H new ATOM 0 HG2 GLU A 124 17.204 -5.462 -16.369 1.00 0.00 H new ATOM 0 HG3 GLU A 124 17.140 -6.258 -17.929 1.00 0.00 H new ATOM 1967 N HIS A 125 18.477 -7.102 -13.555 1.00 0.00 N ATOM 1968 CA HIS A 125 18.771 -6.318 -12.372 1.00 0.00 C ATOM 1969 C HIS A 125 20.195 -6.588 -11.917 1.00 0.00 C ATOM 1970 O HIS A 125 20.541 -7.721 -11.583 1.00 0.00 O ATOM 1971 CB HIS A 125 17.790 -6.671 -11.251 1.00 0.00 C ATOM 1972 CG HIS A 125 18.094 -6.004 -9.943 1.00 0.00 C ATOM 1973 ND1 HIS A 125 18.334 -6.704 -8.783 1.00 0.00 N ATOM 1974 CD2 HIS A 125 18.177 -4.698 -9.614 1.00 0.00 C ATOM 1975 CE1 HIS A 125 18.548 -5.855 -7.798 1.00 0.00 C ATOM 1976 NE2 HIS A 125 18.460 -4.627 -8.273 1.00 0.00 N ATOM 0 H HIS A 125 17.965 -7.964 -13.368 1.00 0.00 H new ATOM 0 HA HIS A 125 18.667 -5.260 -12.612 1.00 0.00 H new ATOM 0 HB2 HIS A 125 16.783 -6.394 -11.563 1.00 0.00 H new ATOM 0 HB3 HIS A 125 17.793 -7.751 -11.106 1.00 0.00 H new ATOM 0 HD2 HIS A 125 18.045 -3.861 -10.284 1.00 0.00 H new ATOM 0 HE1 HIS A 125 18.760 -6.120 -6.773 1.00 0.00 H new ATOM 0 HE2 HIS A 125 18.582 -3.770 -7.734 1.00 0.00 H new ATOM 1985 N HIS A 126 21.014 -5.552 -11.924 1.00 0.00 N ATOM 1986 CA HIS A 126 22.374 -5.658 -11.430 1.00 0.00 C ATOM 1987 C HIS A 126 22.347 -5.653 -9.905 1.00 0.00 C ATOM 1988 O HIS A 126 21.665 -4.830 -9.297 1.00 0.00 O ATOM 1989 CB HIS A 126 23.226 -4.500 -11.968 1.00 0.00 C ATOM 1990 CG HIS A 126 24.693 -4.659 -11.716 1.00 0.00 C ATOM 1991 ND1 HIS A 126 25.562 -5.183 -12.647 1.00 0.00 N ATOM 1992 CD2 HIS A 126 25.445 -4.365 -10.631 1.00 0.00 C ATOM 1993 CE1 HIS A 126 26.779 -5.211 -12.143 1.00 0.00 C ATOM 1994 NE2 HIS A 126 26.736 -4.720 -10.924 1.00 0.00 N ATOM 0 H HIS A 126 20.760 -4.626 -12.267 1.00 0.00 H new ATOM 0 HA HIS A 126 22.822 -6.589 -11.776 1.00 0.00 H new ATOM 0 HB2 HIS A 126 23.060 -4.407 -13.041 1.00 0.00 H new ATOM 0 HB3 HIS A 126 22.887 -3.570 -11.511 1.00 0.00 H new ATOM 0 HD2 HIS A 126 25.094 -3.931 -9.706 1.00 0.00 H new ATOM 0 HE1 HIS A 126 27.662 -5.576 -12.646 1.00 0.00 H new ATOM 0 HE2 HIS A 126 27.535 -4.620 -10.297 1.00 0.00 H new ATOM 2003 N HIS A 127 23.066 -6.582 -9.291 1.00 0.00 N ATOM 2004 CA HIS A 127 23.050 -6.700 -7.838 1.00 0.00 C ATOM 2005 C HIS A 127 23.985 -5.679 -7.192 1.00 0.00 C ATOM 2006 O HIS A 127 25.000 -5.297 -7.774 1.00 0.00 O ATOM 2007 CB HIS A 127 23.408 -8.132 -7.381 1.00 0.00 C ATOM 2008 CG HIS A 127 24.793 -8.610 -7.741 1.00 0.00 C ATOM 2009 ND1 HIS A 127 25.026 -9.719 -8.533 1.00 0.00 N ATOM 2010 CD2 HIS A 127 26.018 -8.151 -7.381 1.00 0.00 C ATOM 2011 CE1 HIS A 127 26.328 -9.913 -8.645 1.00 0.00 C ATOM 2012 NE2 HIS A 127 26.949 -8.977 -7.956 1.00 0.00 N ATOM 0 H HIS A 127 23.662 -7.258 -9.769 1.00 0.00 H new ATOM 0 HA HIS A 127 22.033 -6.489 -7.507 1.00 0.00 H new ATOM 0 HB2 HIS A 127 23.296 -8.186 -6.298 1.00 0.00 H new ATOM 0 HB3 HIS A 127 22.683 -8.822 -7.812 1.00 0.00 H new ATOM 0 HD2 HIS A 127 26.222 -7.294 -6.757 1.00 0.00 H new ATOM 0 HE1 HIS A 127 26.803 -10.704 -9.206 1.00 0.00 H new ATOM 0 HE2 HIS A 127 27.961 -8.882 -7.865 1.00 0.00 H new ATOM 2021 N HIS A 128 23.631 -5.237 -5.995 1.00 0.00 N ATOM 2022 CA HIS A 128 24.471 -4.318 -5.241 1.00 0.00 C ATOM 2023 C HIS A 128 25.534 -5.096 -4.485 1.00 0.00 C ATOM 2024 O HIS A 128 25.513 -6.329 -4.468 1.00 0.00 O ATOM 2025 CB HIS A 128 23.635 -3.482 -4.267 1.00 0.00 C ATOM 2026 CG HIS A 128 22.739 -2.486 -4.940 1.00 0.00 C ATOM 2027 ND1 HIS A 128 23.197 -1.297 -5.468 1.00 0.00 N ATOM 2028 CD2 HIS A 128 21.403 -2.507 -5.170 1.00 0.00 C ATOM 2029 CE1 HIS A 128 22.182 -0.630 -5.988 1.00 0.00 C ATOM 2030 NE2 HIS A 128 21.085 -1.342 -5.822 1.00 0.00 N ATOM 0 H HIS A 128 22.766 -5.500 -5.524 1.00 0.00 H new ATOM 0 HA HIS A 128 24.953 -3.637 -5.942 1.00 0.00 H new ATOM 0 HB2 HIS A 128 23.027 -4.151 -3.658 1.00 0.00 H new ATOM 0 HB3 HIS A 128 24.305 -2.954 -3.588 1.00 0.00 H new ATOM 0 HD2 HIS A 128 20.717 -3.294 -4.892 1.00 0.00 H new ATOM 0 HE1 HIS A 128 22.241 0.336 -6.468 1.00 0.00 H new ATOM 0 HE2 HIS A 128 20.151 -1.071 -6.129 1.00 0.00 H new ATOM 2039 N HIS A 129 26.454 -4.385 -3.859 1.00 0.00 N ATOM 2040 CA HIS A 129 27.549 -5.024 -3.151 1.00 0.00 C ATOM 2041 C HIS A 129 27.310 -4.986 -1.647 1.00 0.00 C ATOM 2042 O HIS A 129 27.442 -3.937 -1.012 1.00 0.00 O ATOM 2043 CB HIS A 129 28.881 -4.342 -3.485 1.00 0.00 C ATOM 2044 CG HIS A 129 30.090 -5.118 -3.045 1.00 0.00 C ATOM 2045 ND1 HIS A 129 31.113 -5.457 -3.901 1.00 0.00 N ATOM 2046 CD2 HIS A 129 30.434 -5.624 -1.835 1.00 0.00 C ATOM 2047 CE1 HIS A 129 32.028 -6.141 -3.240 1.00 0.00 C ATOM 2048 NE2 HIS A 129 31.641 -6.255 -1.985 1.00 0.00 N ATOM 0 H HIS A 129 26.465 -3.366 -3.826 1.00 0.00 H new ATOM 0 HA HIS A 129 27.597 -6.064 -3.473 1.00 0.00 H new ATOM 0 HB2 HIS A 129 28.936 -4.182 -4.562 1.00 0.00 H new ATOM 0 HB3 HIS A 129 28.902 -3.359 -3.015 1.00 0.00 H new ATOM 0 HD2 HIS A 129 29.862 -5.544 -0.922 1.00 0.00 H new ATOM 0 HE1 HIS A 129 32.941 -6.540 -3.657 1.00 0.00 H new ATOM 0 HE2 HIS A 129 32.156 -6.734 -1.246 1.00 0.00 H new ATOM 2057 N HIS A 130 26.955 -6.126 -1.087 1.00 0.00 N ATOM 2058 CA HIS A 130 26.815 -6.260 0.354 1.00 0.00 C ATOM 2059 C HIS A 130 27.929 -7.147 0.891 1.00 0.00 C ATOM 2060 O HIS A 130 28.903 -6.608 1.448 1.00 0.00 O ATOM 2061 CB HIS A 130 25.443 -6.841 0.728 1.00 0.00 C ATOM 2062 CG HIS A 130 25.242 -6.991 2.210 1.00 0.00 C ATOM 2063 ND1 HIS A 130 24.534 -6.088 2.970 1.00 0.00 N ATOM 2064 CD2 HIS A 130 25.671 -7.945 3.071 1.00 0.00 C ATOM 2065 CE1 HIS A 130 24.542 -6.476 4.232 1.00 0.00 C ATOM 2066 NE2 HIS A 130 25.225 -7.603 4.321 1.00 0.00 N ATOM 2067 OXT HIS A 130 27.827 -8.378 0.740 1.00 0.00 O ATOM 0 H HIS A 130 26.757 -6.979 -1.610 1.00 0.00 H new ATOM 0 HA HIS A 130 26.889 -5.270 0.804 1.00 0.00 H new ATOM 0 HB2 HIS A 130 24.662 -6.196 0.326 1.00 0.00 H new ATOM 0 HB3 HIS A 130 25.327 -7.815 0.253 1.00 0.00 H new ATOM 0 HD2 HIS A 130 26.257 -8.816 2.818 1.00 0.00 H new ATOM 0 HE1 HIS A 130 24.069 -5.959 5.054 1.00 0.00 H new ATOM 0 HE2 HIS A 130 25.393 -8.131 5.177 1.00 0.00 H new TER 2076 HIS A 130