USER MOD reduce.3.24.130724 H: found=0, std=0, add=1112, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1094 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: B 58 HIS : no HE2:sc= 0.0846 K(o=0.29,f=-0.65) USER MOD Set 1.2: B 61 HIS : no HE2:sc= 0.201 K(o=0.29,f=-2.1) USER MOD Set 2.1: B 60 HIS : no HD1:sc= 0 K(o=-0.0084,f=-0.63) USER MOD Set 2.2: B 62 HIS : no HD1:sc=-0.00843 X(o=-0.0084,f=-0.0042) USER MOD Set 3.1: A 46 MET CE :methyl -170:sc= -0.163 (180deg=-0.437) USER MOD Set 3.2: B 24 HIS : no HD1:sc= 0 X(o=-0.16,f=-0.45) USER MOD Set 4.1: A 13 LYS NZ :NH3+ 180:sc= 2.43 (180deg=2.43) USER MOD Set 4.2: B 13 LYS NZ :NH3+ 175:sc= 2.42 (180deg=2.37) USER MOD Single : A 1 MET CE :methyl -164:sc= -0.109 (180deg=-0.472) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl -165:sc= -0.0601 (180deg=-0.364) USER MOD Single : A 5 GLN : amide:sc= -1.3 X(o=-1.3,f=-1.5) USER MOD Single : A 7 LYS NZ :NH3+ 178:sc= 1.19 (180deg=1.14) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 9 LYS NZ :NH3+ -170:sc=-0.00939 (180deg=-0.12) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 14 LYS NZ :NH3+ -169:sc= 2.03 (180deg=1.5) USER MOD Single : A 15 LYS NZ :NH3+ 170:sc= -0.0048 (180deg=-0.088) USER MOD Single : A 19 GLN :FLIP amide:sc=-0.000995 F(o=-1,f=-0.00099) USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 HIS : no HD1:sc= -0.166 X(o=-0.17,f=-0.11) USER MOD Single : A 30 LYS NZ :NH3+ -157:sc= 2.1 (180deg=1.24) USER MOD Single : A 35 SER OG : rot -79:sc= 1.19 USER MOD Single : A 40 LYS NZ :NH3+ -168:sc= -0.0315 (180deg=-0.24) USER MOD Single : A 43 ASN : amide:sc=-0.00594 X(o=-0.0059,f=-0.44) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -0.135 X(o=-0.13,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -139:sc= -0.817 (180deg=-2.89!) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 170:sc= 2.95 (180deg=2.66) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 HIS : no HE2:sc= -0.22 X(o=-0.22,f=-0.2) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.176 X(o=-0.18,f=-0.065) USER MOD Single : A 62 HIS : no HD1:sc= -0.121 X(o=-0.12,f=-0.13) USER MOD Single : B 1 MET CE :methyl 162:sc= -0.0321 (180deg=-0.362) USER MOD Single : B 1 MET N :NH3+ 142:sc= 0.113 (180deg=-0.0699) USER MOD Single : B 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 5 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : B 7 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.06) USER MOD Single : B 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 ASN : amide:sc=-0.00694 X(o=-0.0069,f=0) USER MOD Single : B 14 LYS NZ :NH3+ -177:sc= 2.2 (180deg=1.85) USER MOD Single : B 15 LYS NZ :NH3+ -116:sc= 0.00477 (180deg=0) USER MOD Single : B 19 GLN :FLIP amide:sc=-0.00492 F(o=-1.1,f=-0.0049) USER MOD Single : B 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 30 LYS NZ :NH3+ 156:sc= 1.18 (180deg=0.972) USER MOD Single : B 35 SER OG : rot -84:sc= 1.2 USER MOD Single : B 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 ASN : amide:sc= 1.17 K(o=1.2,f=-3) USER MOD Single : B 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 MET CE :methyl 171:sc= -1.93 (180deg=-2.06) USER MOD Single : B 47 ASN : amide:sc= -0.232 X(o=-0.23,f=-0.025) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 LYS NZ :NH3+ 141:sc= -0.679 (180deg=-2.47!) USER MOD Single : B 53 HIS : no HD1:sc= -0.0124 X(o=-0.012,f=0) USER MOD Single : B 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.059 -19.644 -2.101 1.00 0.00 N ATOM 2 CA MET A 1 17.627 -19.598 -1.822 1.00 0.00 C ATOM 3 C MET A 1 17.405 -19.223 -0.391 1.00 0.00 C ATOM 4 O MET A 1 17.572 -20.040 0.512 1.00 0.00 O ATOM 5 CB MET A 1 16.929 -20.929 -2.110 1.00 0.00 C ATOM 6 CG MET A 1 16.909 -21.338 -3.567 1.00 0.00 C ATOM 7 SD MET A 1 15.972 -22.859 -3.841 1.00 0.00 S ATOM 8 CE MET A 1 16.917 -24.034 -2.864 1.00 0.00 C ATOM 0 H1 MET A 1 19.211 -19.905 -3.096 1.00 0.00 H new ATOM 0 H2 MET A 1 19.478 -18.709 -1.920 1.00 0.00 H new ATOM 0 H3 MET A 1 19.510 -20.351 -1.485 1.00 0.00 H new ATOM 0 HA MET A 1 17.194 -18.850 -2.486 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.422 -21.713 -1.535 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.902 -20.869 -1.751 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.474 -20.534 -4.162 1.00 0.00 H new ATOM 0 HG3 MET A 1 17.932 -21.476 -3.917 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.644 -25.049 -3.152 1.00 0.00 H new ATOM 0 HE2 MET A 1 17.982 -23.881 -3.041 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.700 -23.886 -1.806 1.00 0.00 H new ATOM 20 N GLU A 2 17.083 -17.994 -0.184 1.00 0.00 N ATOM 21 CA GLU A 2 16.813 -17.481 1.110 1.00 0.00 C ATOM 22 C GLU A 2 15.732 -16.452 0.978 1.00 0.00 C ATOM 23 O GLU A 2 15.940 -15.398 0.385 1.00 0.00 O ATOM 24 CB GLU A 2 18.080 -16.861 1.698 1.00 0.00 C ATOM 25 CG GLU A 2 17.889 -16.179 3.040 1.00 0.00 C ATOM 26 CD GLU A 2 17.447 -17.113 4.122 1.00 0.00 C ATOM 27 OE1 GLU A 2 16.247 -17.435 4.183 1.00 0.00 O ATOM 28 OE2 GLU A 2 18.288 -17.515 4.945 1.00 0.00 O ATOM 0 H GLU A 2 16.999 -17.302 -0.929 1.00 0.00 H new ATOM 0 HA GLU A 2 16.489 -18.277 1.781 1.00 0.00 H new ATOM 0 HB2 GLU A 2 18.833 -17.641 1.806 1.00 0.00 H new ATOM 0 HB3 GLU A 2 18.475 -16.133 0.989 1.00 0.00 H new ATOM 0 HG2 GLU A 2 18.826 -15.708 3.337 1.00 0.00 H new ATOM 0 HG3 GLU A 2 17.152 -15.383 2.933 1.00 0.00 H new ATOM 35 N MET A 3 14.580 -16.748 1.481 1.00 0.00 N ATOM 36 CA MET A 3 13.496 -15.801 1.385 1.00 0.00 C ATOM 37 C MET A 3 13.544 -14.832 2.539 1.00 0.00 C ATOM 38 O MET A 3 12.925 -13.770 2.487 1.00 0.00 O ATOM 39 CB MET A 3 12.118 -16.481 1.267 1.00 0.00 C ATOM 40 CG MET A 3 11.690 -17.272 2.505 1.00 0.00 C ATOM 41 SD MET A 3 10.118 -18.145 2.292 1.00 0.00 S ATOM 42 CE MET A 3 8.988 -16.778 2.009 1.00 0.00 C ATOM 0 H MET A 3 14.357 -17.622 1.958 1.00 0.00 H new ATOM 0 HA MET A 3 13.632 -15.243 0.459 1.00 0.00 H new ATOM 0 HB2 MET A 3 11.367 -15.718 1.062 1.00 0.00 H new ATOM 0 HB3 MET A 3 12.131 -17.153 0.409 1.00 0.00 H new ATOM 0 HG2 MET A 3 12.468 -17.994 2.752 1.00 0.00 H new ATOM 0 HG3 MET A 3 11.607 -16.591 3.352 1.00 0.00 H new ATOM 0 HE1 MET A 3 7.961 -17.125 2.126 1.00 0.00 H new ATOM 0 HE2 MET A 3 9.188 -15.986 2.730 1.00 0.00 H new ATOM 0 HE3 MET A 3 9.128 -16.393 0.999 1.00 0.00 H new ATOM 52 N GLY A 4 14.319 -15.176 3.559 1.00 0.00 N ATOM 53 CA GLY A 4 14.470 -14.307 4.696 1.00 0.00 C ATOM 54 C GLY A 4 15.167 -13.026 4.306 1.00 0.00 C ATOM 55 O GLY A 4 14.804 -11.956 4.756 1.00 0.00 O ATOM 0 H GLY A 4 14.846 -16.048 3.614 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.491 -14.079 5.117 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.041 -14.814 5.473 1.00 0.00 H new ATOM 59 N GLN A 5 16.121 -13.141 3.394 1.00 0.00 N ATOM 60 CA GLN A 5 16.895 -12.003 2.944 1.00 0.00 C ATOM 61 C GLN A 5 16.074 -11.148 1.999 1.00 0.00 C ATOM 62 O GLN A 5 16.147 -9.929 2.031 1.00 0.00 O ATOM 63 CB GLN A 5 18.198 -12.447 2.261 1.00 0.00 C ATOM 64 CG GLN A 5 18.031 -13.163 0.928 1.00 0.00 C ATOM 65 CD GLN A 5 19.343 -13.529 0.258 1.00 0.00 C ATOM 66 OE1 GLN A 5 19.428 -14.529 -0.443 1.00 0.00 O ATOM 67 NE2 GLN A 5 20.366 -12.735 0.453 1.00 0.00 N ATOM 0 H GLN A 5 16.376 -14.023 2.949 1.00 0.00 H new ATOM 0 HA GLN A 5 17.159 -11.411 3.821 1.00 0.00 H new ATOM 0 HB2 GLN A 5 18.823 -11.568 2.105 1.00 0.00 H new ATOM 0 HB3 GLN A 5 18.738 -13.105 2.942 1.00 0.00 H new ATOM 0 HG2 GLN A 5 17.449 -14.071 1.085 1.00 0.00 H new ATOM 0 HG3 GLN A 5 17.455 -12.528 0.255 1.00 0.00 H new ATOM 0 HE21 GLN A 5 20.265 -11.909 1.042 1.00 0.00 H new ATOM 0 HE22 GLN A 5 21.264 -12.943 0.015 1.00 0.00 H new ATOM 76 N LEU A 6 15.263 -11.806 1.193 1.00 0.00 N ATOM 77 CA LEU A 6 14.433 -11.145 0.218 1.00 0.00 C ATOM 78 C LEU A 6 13.353 -10.363 0.956 1.00 0.00 C ATOM 79 O LEU A 6 13.118 -9.187 0.677 1.00 0.00 O ATOM 80 CB LEU A 6 13.869 -12.214 -0.769 1.00 0.00 C ATOM 81 CG LEU A 6 13.060 -11.746 -2.007 1.00 0.00 C ATOM 82 CD1 LEU A 6 11.655 -11.324 -1.648 1.00 0.00 C ATOM 83 CD2 LEU A 6 13.788 -10.621 -2.734 1.00 0.00 C ATOM 0 H LEU A 6 15.165 -12.821 1.200 1.00 0.00 H new ATOM 0 HA LEU A 6 14.994 -10.429 -0.382 1.00 0.00 H new ATOM 0 HB2 LEU A 6 14.711 -12.804 -1.131 1.00 0.00 H new ATOM 0 HB3 LEU A 6 13.232 -12.887 -0.195 1.00 0.00 H new ATOM 0 HG LEU A 6 12.978 -12.603 -2.676 1.00 0.00 H new ATOM 0 HD11 LEU A 6 11.130 -11.005 -2.548 1.00 0.00 H new ATOM 0 HD12 LEU A 6 11.126 -12.164 -1.198 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.693 -10.498 -0.938 1.00 0.00 H new ATOM 0 HD21 LEU A 6 13.203 -10.308 -3.599 1.00 0.00 H new ATOM 0 HD22 LEU A 6 13.918 -9.775 -2.059 1.00 0.00 H new ATOM 0 HD23 LEU A 6 14.765 -10.974 -3.065 1.00 0.00 H new ATOM 95 N LYS A 7 12.750 -11.011 1.934 1.00 0.00 N ATOM 96 CA LYS A 7 11.755 -10.387 2.778 1.00 0.00 C ATOM 97 C LYS A 7 12.347 -9.278 3.620 1.00 0.00 C ATOM 98 O LYS A 7 11.690 -8.292 3.865 1.00 0.00 O ATOM 99 CB LYS A 7 11.045 -11.419 3.655 1.00 0.00 C ATOM 100 CG LYS A 7 9.612 -11.697 3.223 1.00 0.00 C ATOM 101 CD LYS A 7 8.671 -10.532 3.570 1.00 0.00 C ATOM 102 CE LYS A 7 8.422 -10.442 5.076 1.00 0.00 C ATOM 103 NZ LYS A 7 7.441 -9.388 5.431 1.00 0.00 N ATOM 0 H LYS A 7 12.938 -11.987 2.164 1.00 0.00 H new ATOM 0 HA LYS A 7 11.013 -9.936 2.119 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.610 -12.351 3.636 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.044 -11.068 4.687 1.00 0.00 H new ATOM 0 HG2 LYS A 7 9.586 -11.877 2.148 1.00 0.00 H new ATOM 0 HG3 LYS A 7 9.257 -12.607 3.707 1.00 0.00 H new ATOM 0 HD2 LYS A 7 9.103 -9.596 3.215 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.722 -10.663 3.050 1.00 0.00 H new ATOM 0 HE2 LYS A 7 8.062 -11.405 5.439 1.00 0.00 H new ATOM 0 HE3 LYS A 7 9.365 -10.242 5.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 7.284 -9.392 6.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 7.809 -8.459 5.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 6.542 -9.572 4.942 1.00 0.00 H new ATOM 117 N ASN A 8 13.587 -9.444 4.044 1.00 0.00 N ATOM 118 CA ASN A 8 14.274 -8.422 4.844 1.00 0.00 C ATOM 119 C ASN A 8 14.486 -7.160 4.007 1.00 0.00 C ATOM 120 O ASN A 8 14.326 -6.037 4.500 1.00 0.00 O ATOM 121 CB ASN A 8 15.610 -8.966 5.389 1.00 0.00 C ATOM 122 CG ASN A 8 16.372 -7.993 6.292 1.00 0.00 C ATOM 123 OD1 ASN A 8 15.790 -7.149 6.981 1.00 0.00 O ATOM 124 ND2 ASN A 8 17.679 -8.114 6.318 1.00 0.00 N ATOM 0 H ASN A 8 14.147 -10.275 3.852 1.00 0.00 H new ATOM 0 HA ASN A 8 13.651 -8.163 5.700 1.00 0.00 H new ATOM 0 HB2 ASN A 8 15.414 -9.882 5.947 1.00 0.00 H new ATOM 0 HB3 ASN A 8 16.248 -9.236 4.547 1.00 0.00 H new ATOM 0 HD21 ASN A 8 18.236 -7.504 6.916 1.00 0.00 H new ATOM 0 HD22 ASN A 8 18.138 -8.818 5.740 1.00 0.00 H new ATOM 131 N LYS A 9 14.815 -7.352 2.722 1.00 0.00 N ATOM 132 CA LYS A 9 14.947 -6.235 1.789 1.00 0.00 C ATOM 133 C LYS A 9 13.601 -5.534 1.652 1.00 0.00 C ATOM 134 O LYS A 9 13.518 -4.311 1.722 1.00 0.00 O ATOM 135 CB LYS A 9 15.421 -6.708 0.412 1.00 0.00 C ATOM 136 CG LYS A 9 16.808 -7.325 0.386 1.00 0.00 C ATOM 137 CD LYS A 9 17.150 -7.828 -1.010 1.00 0.00 C ATOM 138 CE LYS A 9 18.537 -8.453 -1.066 1.00 0.00 C ATOM 139 NZ LYS A 9 19.611 -7.482 -0.758 1.00 0.00 N ATOM 0 H LYS A 9 14.993 -8.268 2.310 1.00 0.00 H new ATOM 0 HA LYS A 9 15.694 -5.546 2.183 1.00 0.00 H new ATOM 0 HB2 LYS A 9 14.708 -7.439 0.031 1.00 0.00 H new ATOM 0 HB3 LYS A 9 15.405 -5.860 -0.272 1.00 0.00 H new ATOM 0 HG2 LYS A 9 17.545 -6.587 0.702 1.00 0.00 H new ATOM 0 HG3 LYS A 9 16.857 -8.150 1.097 1.00 0.00 H new ATOM 0 HD2 LYS A 9 16.408 -8.563 -1.323 1.00 0.00 H new ATOM 0 HD3 LYS A 9 17.096 -7.000 -1.717 1.00 0.00 H new ATOM 0 HE2 LYS A 9 18.587 -9.281 -0.359 1.00 0.00 H new ATOM 0 HE3 LYS A 9 18.704 -8.871 -2.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 20.535 -7.907 -0.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 19.481 -6.626 -1.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 19.572 -7.230 0.250 1.00 0.00 H new ATOM 153 N ILE A 10 12.559 -6.336 1.460 1.00 0.00 N ATOM 154 CA ILE A 10 11.174 -5.860 1.411 1.00 0.00 C ATOM 155 C ILE A 10 10.818 -5.075 2.665 1.00 0.00 C ATOM 156 O ILE A 10 10.306 -3.969 2.554 1.00 0.00 O ATOM 157 CB ILE A 10 10.186 -7.058 1.245 1.00 0.00 C ATOM 158 CG1 ILE A 10 10.357 -7.661 -0.134 1.00 0.00 C ATOM 159 CG2 ILE A 10 8.728 -6.645 1.483 1.00 0.00 C ATOM 160 CD1 ILE A 10 9.564 -8.908 -0.378 1.00 0.00 C ATOM 0 H ILE A 10 12.649 -7.344 1.333 1.00 0.00 H new ATOM 0 HA ILE A 10 11.084 -5.199 0.549 1.00 0.00 H new ATOM 0 HB ILE A 10 10.425 -7.804 2.003 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.074 -6.916 -0.878 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.413 -7.883 -0.290 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.079 -7.512 1.356 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.621 -6.256 2.496 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.447 -5.873 0.766 1.00 0.00 H new ATOM 0 HD11 ILE A 10 9.751 -9.266 -1.391 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.861 -9.674 0.338 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.502 -8.693 -0.259 1.00 0.00 H new ATOM 172 N GLU A 11 11.114 -5.624 3.834 1.00 0.00 N ATOM 173 CA GLU A 11 10.839 -4.944 5.092 1.00 0.00 C ATOM 174 C GLU A 11 11.527 -3.602 5.129 1.00 0.00 C ATOM 175 O GLU A 11 10.881 -2.586 5.331 1.00 0.00 O ATOM 176 CB GLU A 11 11.273 -5.785 6.297 1.00 0.00 C ATOM 177 CG GLU A 11 10.520 -7.090 6.445 1.00 0.00 C ATOM 178 CD GLU A 11 9.036 -6.890 6.588 1.00 0.00 C ATOM 179 OE1 GLU A 11 8.547 -6.771 7.719 1.00 0.00 O ATOM 180 OE2 GLU A 11 8.310 -6.886 5.569 1.00 0.00 O ATOM 0 H GLU A 11 11.546 -6.542 3.938 1.00 0.00 H new ATOM 0 HA GLU A 11 9.761 -4.797 5.153 1.00 0.00 H new ATOM 0 HB2 GLU A 11 12.338 -6.000 6.211 1.00 0.00 H new ATOM 0 HB3 GLU A 11 11.139 -5.196 7.204 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.716 -7.718 5.576 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.896 -7.625 7.317 1.00 0.00 H new ATOM 187 N ASN A 12 12.818 -3.610 4.860 1.00 0.00 N ATOM 188 CA ASN A 12 13.637 -2.404 4.874 1.00 0.00 C ATOM 189 C ASN A 12 13.105 -1.366 3.874 1.00 0.00 C ATOM 190 O ASN A 12 12.961 -0.190 4.208 1.00 0.00 O ATOM 191 CB ASN A 12 15.105 -2.763 4.563 1.00 0.00 C ATOM 192 CG ASN A 12 16.066 -1.581 4.654 1.00 0.00 C ATOM 193 OD1 ASN A 12 15.851 -0.639 5.407 1.00 0.00 O ATOM 194 ND2 ASN A 12 17.153 -1.644 3.926 1.00 0.00 N ATOM 0 H ASN A 12 13.336 -4.457 4.624 1.00 0.00 H new ATOM 0 HA ASN A 12 13.587 -1.961 5.869 1.00 0.00 H new ATOM 0 HB2 ASN A 12 15.433 -3.539 5.255 1.00 0.00 H new ATOM 0 HB3 ASN A 12 15.160 -3.186 3.560 1.00 0.00 H new ATOM 0 HD21 ASN A 12 17.846 -0.897 3.978 1.00 0.00 H new ATOM 0 HD22 ASN A 12 17.307 -2.440 3.307 1.00 0.00 H new ATOM 201 N LYS A 13 12.756 -1.824 2.685 1.00 0.00 N ATOM 202 CA LYS A 13 12.272 -0.951 1.619 1.00 0.00 C ATOM 203 C LYS A 13 10.908 -0.348 1.976 1.00 0.00 C ATOM 204 O LYS A 13 10.697 0.860 1.847 1.00 0.00 O ATOM 205 CB LYS A 13 12.179 -1.738 0.315 1.00 0.00 C ATOM 206 CG LYS A 13 12.019 -0.879 -0.925 1.00 0.00 C ATOM 207 CD LYS A 13 13.174 0.106 -1.067 1.00 0.00 C ATOM 208 CE LYS A 13 14.521 -0.589 -1.072 1.00 0.00 C ATOM 209 NZ LYS A 13 15.627 0.367 -1.168 1.00 0.00 N ATOM 0 H LYS A 13 12.798 -2.810 2.427 1.00 0.00 H new ATOM 0 HA LYS A 13 12.978 -0.130 1.496 1.00 0.00 H new ATOM 0 HB2 LYS A 13 13.077 -2.347 0.207 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.334 -2.424 0.378 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.971 -1.516 -1.808 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.077 -0.333 -0.873 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.055 0.672 -1.991 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.140 0.824 -0.247 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.629 -1.179 -0.162 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.568 -1.284 -1.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 16.531 -0.147 -1.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 15.539 0.913 -2.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 15.598 1.015 -0.355 1.00 0.00 H new ATOM 223 N LYS A 14 10.013 -1.202 2.415 1.00 0.00 N ATOM 224 CA LYS A 14 8.696 -0.840 2.877 1.00 0.00 C ATOM 225 C LYS A 14 8.815 0.178 4.022 1.00 0.00 C ATOM 226 O LYS A 14 8.128 1.183 4.035 1.00 0.00 O ATOM 227 CB LYS A 14 7.980 -2.135 3.328 1.00 0.00 C ATOM 228 CG LYS A 14 6.635 -1.961 4.023 1.00 0.00 C ATOM 229 CD LYS A 14 6.163 -3.274 4.680 1.00 0.00 C ATOM 230 CE LYS A 14 6.952 -3.613 5.939 1.00 0.00 C ATOM 231 NZ LYS A 14 6.621 -4.965 6.480 1.00 0.00 N ATOM 0 H LYS A 14 10.190 -2.205 2.461 1.00 0.00 H new ATOM 0 HA LYS A 14 8.113 -0.370 2.086 1.00 0.00 H new ATOM 0 HB2 LYS A 14 7.832 -2.766 2.452 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.645 -2.676 4.002 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.714 -1.182 4.781 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.891 -1.627 3.300 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.105 -3.192 4.929 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.259 -4.090 3.964 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.018 -3.566 5.718 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.751 -2.861 6.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.038 -5.072 7.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.588 -5.071 6.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.006 -5.696 5.848 1.00 0.00 H new ATOM 245 N LYS A 15 9.731 -0.079 4.952 1.00 0.00 N ATOM 246 CA LYS A 15 9.980 0.826 6.072 1.00 0.00 C ATOM 247 C LYS A 15 10.533 2.166 5.602 1.00 0.00 C ATOM 248 O LYS A 15 10.143 3.211 6.131 1.00 0.00 O ATOM 249 CB LYS A 15 10.893 0.179 7.107 1.00 0.00 C ATOM 250 CG LYS A 15 10.245 -1.000 7.828 1.00 0.00 C ATOM 251 CD LYS A 15 11.243 -1.761 8.684 1.00 0.00 C ATOM 252 CE LYS A 15 11.791 -0.917 9.833 1.00 0.00 C ATOM 253 NZ LYS A 15 10.742 -0.556 10.811 1.00 0.00 N ATOM 0 H LYS A 15 10.318 -0.913 4.952 1.00 0.00 H new ATOM 0 HA LYS A 15 9.022 1.025 6.551 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.805 -0.161 6.616 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.187 0.929 7.842 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.431 -0.638 8.456 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.806 -1.677 7.095 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.764 -2.653 9.089 1.00 0.00 H new ATOM 0 HD3 LYS A 15 12.070 -2.099 8.059 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.584 -1.467 10.340 1.00 0.00 H new ATOM 0 HE3 LYS A 15 12.240 -0.008 9.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 11.183 -0.133 11.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 10.088 0.129 10.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 10.217 -1.410 11.088 1.00 0.00 H new ATOM 267 N GLU A 16 11.413 2.138 4.577 1.00 0.00 N ATOM 268 CA GLU A 16 11.938 3.371 3.973 1.00 0.00 C ATOM 269 C GLU A 16 10.783 4.226 3.485 1.00 0.00 C ATOM 270 O GLU A 16 10.760 5.452 3.679 1.00 0.00 O ATOM 271 CB GLU A 16 12.869 3.094 2.770 1.00 0.00 C ATOM 272 CG GLU A 16 14.250 2.554 3.071 1.00 0.00 C ATOM 273 CD GLU A 16 15.091 2.483 1.809 1.00 0.00 C ATOM 274 OE1 GLU A 16 15.453 3.557 1.265 1.00 0.00 O ATOM 275 OE2 GLU A 16 15.409 1.378 1.328 1.00 0.00 O ATOM 0 H GLU A 16 11.769 1.279 4.157 1.00 0.00 H new ATOM 0 HA GLU A 16 12.516 3.880 4.744 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.367 2.386 2.111 1.00 0.00 H new ATOM 0 HB3 GLU A 16 12.984 4.023 2.212 1.00 0.00 H new ATOM 0 HG2 GLU A 16 14.742 3.192 3.805 1.00 0.00 H new ATOM 0 HG3 GLU A 16 14.168 1.562 3.515 1.00 0.00 H new ATOM 282 N LEU A 17 9.818 3.564 2.897 1.00 0.00 N ATOM 283 CA LEU A 17 8.656 4.194 2.353 1.00 0.00 C ATOM 284 C LEU A 17 7.746 4.712 3.445 1.00 0.00 C ATOM 285 O LEU A 17 7.245 5.837 3.346 1.00 0.00 O ATOM 286 CB LEU A 17 7.945 3.224 1.371 1.00 0.00 C ATOM 287 CG LEU A 17 6.507 3.536 0.913 1.00 0.00 C ATOM 288 CD1 LEU A 17 5.479 3.144 1.938 1.00 0.00 C ATOM 289 CD2 LEU A 17 6.353 4.973 0.461 1.00 0.00 C ATOM 0 H LEU A 17 9.825 2.550 2.784 1.00 0.00 H new ATOM 0 HA LEU A 17 8.956 5.073 1.782 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.565 3.150 0.477 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.935 2.238 1.835 1.00 0.00 H new ATOM 0 HG LEU A 17 6.317 2.912 0.039 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.483 3.385 1.566 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.545 2.073 2.129 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.662 3.689 2.864 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.324 5.147 0.147 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.599 5.642 1.285 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.025 5.165 -0.375 1.00 0.00 H new ATOM 301 N ILE A 18 7.522 3.912 4.469 1.00 0.00 N ATOM 302 CA ILE A 18 6.637 4.315 5.544 1.00 0.00 C ATOM 303 C ILE A 18 7.158 5.601 6.175 1.00 0.00 C ATOM 304 O ILE A 18 6.404 6.528 6.411 1.00 0.00 O ATOM 305 CB ILE A 18 6.478 3.226 6.634 1.00 0.00 C ATOM 306 CG1 ILE A 18 5.939 1.932 6.022 1.00 0.00 C ATOM 307 CG2 ILE A 18 5.514 3.730 7.713 1.00 0.00 C ATOM 308 CD1 ILE A 18 6.059 0.724 6.925 1.00 0.00 C ATOM 0 H ILE A 18 7.937 2.987 4.579 1.00 0.00 H new ATOM 0 HA ILE A 18 5.651 4.474 5.108 1.00 0.00 H new ATOM 0 HB ILE A 18 7.452 3.020 7.077 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.890 2.075 5.762 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.473 1.732 5.093 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.399 2.967 8.483 1.00 0.00 H new ATOM 0 HG22 ILE A 18 5.913 4.640 8.161 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.544 3.942 7.264 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.655 -0.152 6.417 1.00 0.00 H new ATOM 0 HD12 ILE A 18 7.108 0.552 7.165 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.501 0.900 7.844 1.00 0.00 H new ATOM 320 N GLN A 19 8.467 5.664 6.373 1.00 0.00 N ATOM 321 CA GLN A 19 9.101 6.840 6.922 1.00 0.00 C ATOM 322 C GLN A 19 8.952 8.035 5.968 1.00 0.00 C ATOM 323 O GLN A 19 8.867 9.185 6.405 1.00 0.00 O ATOM 324 CB GLN A 19 10.561 6.569 7.252 1.00 0.00 C ATOM 325 CG GLN A 19 10.760 5.431 8.252 1.00 0.00 C ATOM 326 CD GLN A 19 12.214 5.202 8.611 1.00 0.00 C ATOM 327 OE1 GLN A 19 12.982 6.254 8.656 1.00 0.00 O flip ATOM 328 NE2 GLN A 19 12.638 4.071 8.880 1.00 0.00 N flip ATOM 0 H GLN A 19 9.111 4.903 6.157 1.00 0.00 H new ATOM 0 HA GLN A 19 8.597 7.095 7.854 1.00 0.00 H new ATOM 0 HB2 GLN A 19 11.095 6.331 6.332 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.009 7.478 7.654 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.198 5.651 9.160 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.346 4.513 7.835 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.011 3.267 8.835 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.614 3.942 9.146 1.00 0.00 H new ATOM 337 N LEU A 20 8.930 7.761 4.668 1.00 0.00 N ATOM 338 CA LEU A 20 8.721 8.800 3.667 1.00 0.00 C ATOM 339 C LEU A 20 7.303 9.376 3.745 1.00 0.00 C ATOM 340 O LEU A 20 7.148 10.586 3.847 1.00 0.00 O ATOM 341 CB LEU A 20 9.040 8.322 2.244 1.00 0.00 C ATOM 342 CG LEU A 20 10.507 8.015 1.921 1.00 0.00 C ATOM 343 CD1 LEU A 20 10.631 7.493 0.504 1.00 0.00 C ATOM 344 CD2 LEU A 20 11.371 9.257 2.091 1.00 0.00 C ATOM 0 H LEU A 20 9.055 6.825 4.282 1.00 0.00 H new ATOM 0 HA LEU A 20 9.427 9.597 3.900 1.00 0.00 H new ATOM 0 HB2 LEU A 20 8.456 7.422 2.051 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.692 9.083 1.546 1.00 0.00 H new ATOM 0 HG LEU A 20 10.856 7.252 2.617 1.00 0.00 H new ATOM 0 HD11 LEU A 20 11.677 7.278 0.286 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.044 6.581 0.400 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.261 8.244 -0.194 1.00 0.00 H new ATOM 0 HD21 LEU A 20 12.407 9.014 1.856 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.020 10.039 1.418 1.00 0.00 H new ATOM 0 HD23 LEU A 20 11.305 9.608 3.121 1.00 0.00 H new ATOM 356 N VAL A 21 6.259 8.527 3.696 1.00 0.00 N ATOM 357 CA VAL A 21 4.906 9.038 3.849 1.00 0.00 C ATOM 358 C VAL A 21 4.700 9.678 5.241 1.00 0.00 C ATOM 359 O VAL A 21 3.929 10.614 5.398 1.00 0.00 O ATOM 360 CB VAL A 21 3.829 7.960 3.603 1.00 0.00 C ATOM 361 CG1 VAL A 21 4.051 7.223 2.323 1.00 0.00 C ATOM 362 CG2 VAL A 21 3.642 7.023 4.765 1.00 0.00 C ATOM 0 H VAL A 21 6.332 7.519 3.556 1.00 0.00 H new ATOM 0 HA VAL A 21 4.786 9.804 3.083 1.00 0.00 H new ATOM 0 HB VAL A 21 2.889 8.504 3.506 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.269 6.475 2.193 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.024 7.925 1.490 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.023 6.730 2.351 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.871 6.292 4.523 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.580 6.506 4.970 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.340 7.591 5.645 1.00 0.00 H new ATOM 372 N ALA A 22 5.396 9.150 6.234 1.00 0.00 N ATOM 373 CA ALA A 22 5.299 9.634 7.588 1.00 0.00 C ATOM 374 C ALA A 22 5.832 11.047 7.712 1.00 0.00 C ATOM 375 O ALA A 22 5.166 11.917 8.285 1.00 0.00 O ATOM 376 CB ALA A 22 6.027 8.702 8.521 1.00 0.00 C ATOM 0 H ALA A 22 6.044 8.371 6.116 1.00 0.00 H new ATOM 0 HA ALA A 22 4.245 9.660 7.866 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.949 9.075 9.542 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.583 7.708 8.463 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.077 8.647 8.234 1.00 0.00 H new ATOM 382 N ARG A 23 7.003 11.288 7.106 1.00 0.00 N ATOM 383 CA ARG A 23 7.668 12.593 7.170 1.00 0.00 C ATOM 384 C ARG A 23 6.864 13.659 6.421 1.00 0.00 C ATOM 385 O ARG A 23 7.079 14.852 6.608 1.00 0.00 O ATOM 386 CB ARG A 23 9.111 12.537 6.634 1.00 0.00 C ATOM 387 CG ARG A 23 9.228 12.369 5.132 1.00 0.00 C ATOM 388 CD ARG A 23 10.671 12.387 4.674 1.00 0.00 C ATOM 389 NE ARG A 23 11.428 11.197 5.096 1.00 0.00 N ATOM 390 CZ ARG A 23 12.774 11.143 5.159 1.00 0.00 C ATOM 391 NH1 ARG A 23 13.497 12.261 5.082 1.00 0.00 N ATOM 392 NH2 ARG A 23 13.395 9.975 5.331 1.00 0.00 N ATOM 0 H ARG A 23 7.511 10.590 6.563 1.00 0.00 H new ATOM 0 HA ARG A 23 7.718 12.868 8.223 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.626 13.453 6.924 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.631 11.711 7.119 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.764 11.429 4.834 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.679 13.167 4.633 1.00 0.00 H new ATOM 0 HD2 ARG A 23 10.700 12.461 3.587 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.159 13.279 5.067 1.00 0.00 H new ATOM 0 HE ARG A 23 10.902 10.363 5.357 1.00 0.00 H new ATOM 0 HH11 ARG A 23 13.032 13.163 4.975 1.00 0.00 H new ATOM 0 HH12 ARG A 23 14.515 12.214 5.130 1.00 0.00 H new ATOM 0 HH21 ARG A 23 12.851 9.116 5.416 1.00 0.00 H new ATOM 0 HH22 ARG A 23 14.413 9.941 5.378 1.00 0.00 H new ATOM 406 N HIS A 24 5.970 13.200 5.541 1.00 0.00 N ATOM 407 CA HIS A 24 5.056 14.067 4.799 1.00 0.00 C ATOM 408 C HIS A 24 4.157 14.834 5.778 1.00 0.00 C ATOM 409 O HIS A 24 3.721 15.951 5.499 1.00 0.00 O ATOM 410 CB HIS A 24 4.203 13.207 3.835 1.00 0.00 C ATOM 411 CG HIS A 24 3.107 13.934 3.097 1.00 0.00 C ATOM 412 ND1 HIS A 24 1.785 13.966 3.507 1.00 0.00 N ATOM 413 CD2 HIS A 24 3.147 14.625 1.936 1.00 0.00 C ATOM 414 CE1 HIS A 24 1.090 14.648 2.605 1.00 0.00 C ATOM 415 NE2 HIS A 24 1.871 15.074 1.626 1.00 0.00 N ATOM 0 H HIS A 24 5.861 12.210 5.323 1.00 0.00 H new ATOM 0 HA HIS A 24 5.626 14.790 4.216 1.00 0.00 H new ATOM 0 HB2 HIS A 24 4.868 12.751 3.101 1.00 0.00 H new ATOM 0 HB3 HIS A 24 3.753 12.395 4.406 1.00 0.00 H new ATOM 0 HD2 HIS A 24 4.032 14.800 1.343 1.00 0.00 H new ATOM 0 HE1 HIS A 24 0.027 14.831 2.663 1.00 0.00 H new ATOM 0 HE2 HIS A 24 1.593 15.620 0.811 1.00 0.00 H new ATOM 423 N GLY A 25 3.906 14.232 6.918 1.00 0.00 N ATOM 424 CA GLY A 25 3.096 14.863 7.909 1.00 0.00 C ATOM 425 C GLY A 25 2.038 13.949 8.458 1.00 0.00 C ATOM 426 O GLY A 25 0.890 14.355 8.626 1.00 0.00 O ATOM 0 H GLY A 25 4.255 13.308 7.173 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.730 15.210 8.725 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.621 15.744 7.478 1.00 0.00 H new ATOM 430 N LEU A 26 2.385 12.703 8.699 1.00 0.00 N ATOM 431 CA LEU A 26 1.446 11.808 9.321 1.00 0.00 C ATOM 432 C LEU A 26 1.595 11.838 10.800 1.00 0.00 C ATOM 433 O LEU A 26 2.685 12.100 11.327 1.00 0.00 O ATOM 434 CB LEU A 26 1.601 10.362 8.855 1.00 0.00 C ATOM 435 CG LEU A 26 1.152 10.031 7.454 1.00 0.00 C ATOM 436 CD1 LEU A 26 1.205 8.538 7.190 1.00 0.00 C ATOM 437 CD2 LEU A 26 -0.213 10.626 7.117 1.00 0.00 C ATOM 0 H LEU A 26 3.294 12.296 8.477 1.00 0.00 H new ATOM 0 HA LEU A 26 0.458 12.160 9.024 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.653 10.091 8.944 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.048 9.725 9.545 1.00 0.00 H new ATOM 0 HG LEU A 26 1.863 10.506 6.778 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.875 8.337 6.171 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.227 8.182 7.317 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.551 8.021 7.892 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.486 10.356 6.097 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.960 10.236 7.808 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.169 11.712 7.205 1.00 0.00 H new ATOM 449 N ASP A 27 0.503 11.575 11.469 1.00 0.00 N ATOM 450 CA ASP A 27 0.501 11.413 12.919 1.00 0.00 C ATOM 451 C ASP A 27 1.148 10.085 13.187 1.00 0.00 C ATOM 452 O ASP A 27 1.228 9.260 12.268 1.00 0.00 O ATOM 453 CB ASP A 27 -0.927 11.327 13.501 1.00 0.00 C ATOM 454 CG ASP A 27 -1.838 12.480 13.185 1.00 0.00 C ATOM 455 OD1 ASP A 27 -1.642 13.583 13.731 1.00 0.00 O ATOM 456 OD2 ASP A 27 -2.819 12.278 12.431 1.00 0.00 O ATOM 0 H ASP A 27 -0.414 11.465 11.035 1.00 0.00 H new ATOM 0 HA ASP A 27 1.008 12.266 13.370 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.392 10.411 13.136 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.851 11.236 14.585 1.00 0.00 H new ATOM 461 N HIS A 28 1.546 9.830 14.415 1.00 0.00 N ATOM 462 CA HIS A 28 2.110 8.525 14.766 1.00 0.00 C ATOM 463 C HIS A 28 1.038 7.476 14.487 1.00 0.00 C ATOM 464 O HIS A 28 1.310 6.411 13.954 1.00 0.00 O ATOM 465 CB HIS A 28 2.538 8.495 16.244 1.00 0.00 C ATOM 466 CG HIS A 28 3.231 7.234 16.660 1.00 0.00 C ATOM 467 ND1 HIS A 28 2.706 6.322 17.547 1.00 0.00 N ATOM 468 CD2 HIS A 28 4.450 6.757 16.312 1.00 0.00 C ATOM 469 CE1 HIS A 28 3.598 5.344 17.708 1.00 0.00 C ATOM 470 NE2 HIS A 28 4.679 5.558 16.976 1.00 0.00 N ATOM 0 H HIS A 28 1.494 10.495 15.187 1.00 0.00 H new ATOM 0 HA HIS A 28 3.002 8.322 14.173 1.00 0.00 H new ATOM 0 HB2 HIS A 28 3.200 9.340 16.436 1.00 0.00 H new ATOM 0 HB3 HIS A 28 1.655 8.634 16.868 1.00 0.00 H new ATOM 0 HD2 HIS A 28 5.136 7.233 15.627 1.00 0.00 H new ATOM 0 HE1 HIS A 28 3.456 4.489 18.352 1.00 0.00 H new ATOM 0 HE2 HIS A 28 5.508 4.966 16.912 1.00 0.00 H new ATOM 478 N ASP A 29 -0.195 7.875 14.776 1.00 0.00 N ATOM 479 CA ASP A 29 -1.405 7.115 14.506 1.00 0.00 C ATOM 480 C ASP A 29 -1.497 6.748 13.037 1.00 0.00 C ATOM 481 O ASP A 29 -1.736 5.604 12.687 1.00 0.00 O ATOM 482 CB ASP A 29 -2.613 7.978 14.904 1.00 0.00 C ATOM 483 CG ASP A 29 -3.929 7.501 14.334 1.00 0.00 C ATOM 484 OD1 ASP A 29 -4.515 6.547 14.880 1.00 0.00 O ATOM 485 OD2 ASP A 29 -4.403 8.097 13.333 1.00 0.00 O ATOM 0 H ASP A 29 -0.384 8.772 15.222 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.389 6.190 15.082 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.687 8.000 15.991 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.438 9.002 14.576 1.00 0.00 H new ATOM 490 N LYS A 30 -1.236 7.713 12.194 1.00 0.00 N ATOM 491 CA LYS A 30 -1.340 7.529 10.764 1.00 0.00 C ATOM 492 C LYS A 30 -0.270 6.598 10.262 1.00 0.00 C ATOM 493 O LYS A 30 -0.528 5.757 9.412 1.00 0.00 O ATOM 494 CB LYS A 30 -1.279 8.866 10.042 1.00 0.00 C ATOM 495 CG LYS A 30 -2.445 9.789 10.326 1.00 0.00 C ATOM 496 CD LYS A 30 -3.781 9.145 10.018 1.00 0.00 C ATOM 497 CE LYS A 30 -4.916 10.028 10.477 1.00 0.00 C ATOM 498 NZ LYS A 30 -4.818 10.327 11.928 1.00 0.00 N ATOM 0 H LYS A 30 -0.945 8.649 12.476 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.307 7.074 10.552 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.355 9.373 10.321 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.231 8.683 8.969 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.422 10.087 11.374 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.338 10.698 9.734 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.865 8.964 8.946 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.845 8.175 10.511 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.906 10.959 9.911 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.867 9.538 10.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.757 10.582 12.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -4.466 9.488 12.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.162 11.120 12.075 1.00 0.00 H new ATOM 512 N VAL A 31 0.919 6.744 10.805 1.00 0.00 N ATOM 513 CA VAL A 31 2.024 5.883 10.468 1.00 0.00 C ATOM 514 C VAL A 31 1.681 4.442 10.858 1.00 0.00 C ATOM 515 O VAL A 31 1.923 3.509 10.090 1.00 0.00 O ATOM 516 CB VAL A 31 3.328 6.333 11.181 1.00 0.00 C ATOM 517 CG1 VAL A 31 4.513 5.471 10.782 1.00 0.00 C ATOM 518 CG2 VAL A 31 3.610 7.791 10.892 1.00 0.00 C ATOM 0 H VAL A 31 1.144 7.464 11.492 1.00 0.00 H new ATOM 0 HA VAL A 31 2.195 5.944 9.393 1.00 0.00 H new ATOM 0 HB VAL A 31 3.179 6.208 12.254 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.406 5.817 11.302 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.315 4.434 11.052 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.669 5.543 9.706 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.527 8.092 11.399 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.726 7.933 9.818 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.781 8.400 11.251 1.00 0.00 H new ATOM 528 N LEU A 32 1.076 4.278 12.028 1.00 0.00 N ATOM 529 CA LEU A 32 0.676 2.969 12.524 1.00 0.00 C ATOM 530 C LEU A 32 -0.397 2.357 11.638 1.00 0.00 C ATOM 531 O LEU A 32 -0.262 1.221 11.194 1.00 0.00 O ATOM 532 CB LEU A 32 0.179 3.049 13.967 1.00 0.00 C ATOM 533 CG LEU A 32 1.169 3.611 14.987 1.00 0.00 C ATOM 534 CD1 LEU A 32 0.579 3.581 16.372 1.00 0.00 C ATOM 535 CD2 LEU A 32 2.499 2.870 14.941 1.00 0.00 C ATOM 0 H LEU A 32 0.850 5.048 12.658 1.00 0.00 H new ATOM 0 HA LEU A 32 1.558 2.329 12.500 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.721 3.664 13.987 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.112 2.048 14.286 1.00 0.00 H new ATOM 0 HG LEU A 32 1.367 4.650 14.723 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.299 3.985 17.083 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.329 4.183 16.394 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.339 2.553 16.643 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.179 3.296 15.679 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.336 1.816 15.164 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.936 2.968 13.947 1.00 0.00 H new ATOM 547 N LEU A 33 -1.431 3.134 11.350 1.00 0.00 N ATOM 548 CA LEU A 33 -2.541 2.693 10.506 1.00 0.00 C ATOM 549 C LEU A 33 -2.043 2.292 9.132 1.00 0.00 C ATOM 550 O LEU A 33 -2.410 1.235 8.611 1.00 0.00 O ATOM 551 CB LEU A 33 -3.573 3.804 10.357 1.00 0.00 C ATOM 552 CG LEU A 33 -4.305 4.239 11.617 1.00 0.00 C ATOM 553 CD1 LEU A 33 -5.112 5.481 11.333 1.00 0.00 C ATOM 554 CD2 LEU A 33 -5.220 3.136 12.110 1.00 0.00 C ATOM 0 H LEU A 33 -1.528 4.090 11.693 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.003 1.831 10.987 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.073 4.677 9.937 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.316 3.481 9.628 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.568 4.452 12.392 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.635 5.790 12.238 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.447 6.281 11.008 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.838 5.271 10.548 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.735 3.466 13.012 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.954 2.900 11.339 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.630 2.247 12.334 1.00 0.00 H new ATOM 566 N PHE A 34 -1.184 3.119 8.573 1.00 0.00 N ATOM 567 CA PHE A 34 -0.627 2.870 7.270 1.00 0.00 C ATOM 568 C PHE A 34 0.223 1.607 7.270 1.00 0.00 C ATOM 569 O PHE A 34 -0.002 0.718 6.465 1.00 0.00 O ATOM 570 CB PHE A 34 0.188 4.079 6.790 1.00 0.00 C ATOM 571 CG PHE A 34 0.843 3.879 5.460 1.00 0.00 C ATOM 572 CD1 PHE A 34 0.102 3.921 4.294 1.00 0.00 C ATOM 573 CD2 PHE A 34 2.201 3.642 5.377 1.00 0.00 C ATOM 574 CE1 PHE A 34 0.702 3.725 3.074 1.00 0.00 C ATOM 575 CE2 PHE A 34 2.804 3.449 4.160 1.00 0.00 C ATOM 576 CZ PHE A 34 2.055 3.491 3.011 1.00 0.00 C ATOM 0 H PHE A 34 -0.856 3.979 9.012 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.451 2.716 6.574 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.468 4.948 6.734 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.955 4.305 7.531 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.960 4.110 4.343 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.794 3.608 6.279 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.114 3.755 2.169 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.867 3.264 4.106 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.531 3.340 2.053 1.00 0.00 H new ATOM 586 N SER A 35 1.155 1.515 8.207 1.00 0.00 N ATOM 587 CA SER A 35 2.073 0.394 8.256 1.00 0.00 C ATOM 588 C SER A 35 1.371 -0.935 8.522 1.00 0.00 C ATOM 589 O SER A 35 1.778 -1.973 7.980 1.00 0.00 O ATOM 590 CB SER A 35 3.202 0.649 9.266 1.00 0.00 C ATOM 591 OG SER A 35 2.697 1.004 10.538 1.00 0.00 O ATOM 0 H SER A 35 1.293 2.207 8.944 1.00 0.00 H new ATOM 0 HA SER A 35 2.518 0.309 7.265 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.818 -0.246 9.356 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.848 1.445 8.896 1.00 0.00 H new ATOM 0 HG SER A 35 2.430 1.947 10.532 1.00 0.00 H new ATOM 597 N ARG A 36 0.324 -0.910 9.332 1.00 0.00 N ATOM 598 CA ARG A 36 -0.388 -2.126 9.644 1.00 0.00 C ATOM 599 C ARG A 36 -1.211 -2.611 8.443 1.00 0.00 C ATOM 600 O ARG A 36 -1.153 -3.777 8.097 1.00 0.00 O ATOM 601 CB ARG A 36 -1.217 -1.995 10.949 1.00 0.00 C ATOM 602 CG ARG A 36 -2.411 -1.069 10.887 1.00 0.00 C ATOM 603 CD ARG A 36 -2.900 -0.661 12.279 1.00 0.00 C ATOM 604 NE ARG A 36 -3.068 -1.788 13.218 1.00 0.00 N ATOM 605 CZ ARG A 36 -4.088 -1.925 14.091 1.00 0.00 C ATOM 606 NH1 ARG A 36 -5.142 -1.118 14.030 1.00 0.00 N ATOM 607 NH2 ARG A 36 -4.048 -2.874 15.021 1.00 0.00 N ATOM 0 H ARG A 36 -0.043 -0.069 9.777 1.00 0.00 H new ATOM 0 HA ARG A 36 0.348 -2.905 9.845 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.566 -2.987 11.235 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.555 -1.649 11.743 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.147 -0.176 10.321 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -3.222 -1.560 10.349 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.193 0.050 12.706 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.853 -0.142 12.179 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.358 -2.520 13.206 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.185 -0.388 13.319 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.908 -1.229 14.694 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.245 -3.501 15.076 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.820 -2.975 15.680 1.00 0.00 H new ATOM 621 N ASP A 37 -1.900 -1.694 7.758 1.00 0.00 N ATOM 622 CA ASP A 37 -2.724 -2.064 6.580 1.00 0.00 C ATOM 623 C ASP A 37 -1.802 -2.538 5.461 1.00 0.00 C ATOM 624 O ASP A 37 -2.027 -3.587 4.839 1.00 0.00 O ATOM 625 CB ASP A 37 -3.537 -0.846 6.099 1.00 0.00 C ATOM 626 CG ASP A 37 -4.605 -1.168 5.042 1.00 0.00 C ATOM 627 OD1 ASP A 37 -4.277 -1.500 3.882 1.00 0.00 O ATOM 628 OD2 ASP A 37 -5.825 -1.075 5.370 1.00 0.00 O ATOM 0 H ASP A 37 -1.911 -0.700 7.986 1.00 0.00 H new ATOM 0 HA ASP A 37 -3.415 -2.861 6.856 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.023 -0.387 6.960 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.850 -0.106 5.689 1.00 0.00 H new ATOM 633 N LEU A 38 -0.728 -1.778 5.272 1.00 0.00 N ATOM 634 CA LEU A 38 0.304 -2.043 4.274 1.00 0.00 C ATOM 635 C LEU A 38 0.916 -3.421 4.443 1.00 0.00 C ATOM 636 O LEU A 38 1.083 -4.154 3.473 1.00 0.00 O ATOM 637 CB LEU A 38 1.393 -0.963 4.386 1.00 0.00 C ATOM 638 CG LEU A 38 2.692 -1.157 3.601 1.00 0.00 C ATOM 639 CD1 LEU A 38 2.432 -1.280 2.125 1.00 0.00 C ATOM 640 CD2 LEU A 38 3.630 -0.003 3.868 1.00 0.00 C ATOM 0 H LEU A 38 -0.546 -0.939 5.823 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.156 -2.015 3.286 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.954 -0.015 4.074 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.653 -0.862 5.440 1.00 0.00 H new ATOM 0 HG LEU A 38 3.153 -2.086 3.936 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.377 -1.417 1.599 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.786 -2.138 1.940 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.944 -0.374 1.765 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.553 -0.147 3.306 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.158 0.929 3.557 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.857 0.043 4.933 1.00 0.00 H new ATOM 652 N ASP A 39 1.227 -3.773 5.662 1.00 0.00 N ATOM 653 CA ASP A 39 1.886 -5.035 5.927 1.00 0.00 C ATOM 654 C ASP A 39 0.971 -6.210 5.611 1.00 0.00 C ATOM 655 O ASP A 39 1.409 -7.205 5.046 1.00 0.00 O ATOM 656 CB ASP A 39 2.396 -5.093 7.349 1.00 0.00 C ATOM 657 CG ASP A 39 3.292 -6.272 7.589 1.00 0.00 C ATOM 658 OD1 ASP A 39 4.373 -6.342 6.961 1.00 0.00 O ATOM 659 OD2 ASP A 39 2.967 -7.115 8.452 1.00 0.00 O ATOM 0 H ASP A 39 1.037 -3.208 6.490 1.00 0.00 H new ATOM 0 HA ASP A 39 2.750 -5.109 5.266 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.940 -4.176 7.575 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.549 -5.139 8.034 1.00 0.00 H new ATOM 664 N LYS A 40 -0.313 -6.067 5.929 1.00 0.00 N ATOM 665 CA LYS A 40 -1.305 -7.090 5.597 1.00 0.00 C ATOM 666 C LYS A 40 -1.489 -7.195 4.093 1.00 0.00 C ATOM 667 O LYS A 40 -1.619 -8.295 3.550 1.00 0.00 O ATOM 668 CB LYS A 40 -2.657 -6.845 6.293 1.00 0.00 C ATOM 669 CG LYS A 40 -2.739 -7.314 7.750 1.00 0.00 C ATOM 670 CD LYS A 40 -1.758 -6.610 8.661 1.00 0.00 C ATOM 671 CE LYS A 40 -1.834 -7.133 10.082 1.00 0.00 C ATOM 672 NZ LYS A 40 -3.162 -6.902 10.681 1.00 0.00 N ATOM 0 H LYS A 40 -0.692 -5.255 6.415 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.919 -8.038 5.971 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.876 -5.778 6.259 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.437 -7.349 5.722 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.751 -7.150 8.121 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.555 -8.388 7.790 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.746 -6.744 8.278 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.962 -5.539 8.656 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.613 -8.200 10.089 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.072 -6.646 10.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.118 -7.083 11.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.451 -5.917 10.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.855 -7.543 10.246 1.00 0.00 H new ATOM 686 N LEU A 41 -1.484 -6.051 3.422 1.00 0.00 N ATOM 687 CA LEU A 41 -1.559 -5.999 1.966 1.00 0.00 C ATOM 688 C LEU A 41 -0.391 -6.765 1.362 1.00 0.00 C ATOM 689 O LEU A 41 -0.565 -7.581 0.447 1.00 0.00 O ATOM 690 CB LEU A 41 -1.558 -4.540 1.481 1.00 0.00 C ATOM 691 CG LEU A 41 -1.414 -4.321 -0.033 1.00 0.00 C ATOM 692 CD1 LEU A 41 -2.525 -5.006 -0.802 1.00 0.00 C ATOM 693 CD2 LEU A 41 -1.378 -2.839 -0.351 1.00 0.00 C ATOM 0 H LEU A 41 -1.428 -5.136 3.868 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.490 -6.465 1.642 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.487 -4.072 1.807 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.744 -4.015 1.981 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.472 -4.770 -0.347 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.391 -4.830 -1.869 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.497 -6.078 -0.605 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.488 -4.604 -0.486 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.276 -2.700 -1.427 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.302 -2.371 -0.011 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.530 -2.378 0.156 1.00 0.00 H new ATOM 705 N ILE A 42 0.779 -6.524 1.892 1.00 0.00 N ATOM 706 CA ILE A 42 1.961 -7.210 1.458 1.00 0.00 C ATOM 707 C ILE A 42 1.863 -8.699 1.763 1.00 0.00 C ATOM 708 O ILE A 42 2.082 -9.509 0.878 1.00 0.00 O ATOM 709 CB ILE A 42 3.248 -6.567 2.042 1.00 0.00 C ATOM 710 CG1 ILE A 42 3.377 -5.150 1.488 1.00 0.00 C ATOM 711 CG2 ILE A 42 4.492 -7.386 1.710 1.00 0.00 C ATOM 712 CD1 ILE A 42 4.589 -4.405 1.947 1.00 0.00 C ATOM 0 H ILE A 42 0.937 -5.846 2.637 1.00 0.00 H new ATOM 0 HA ILE A 42 2.035 -7.105 0.376 1.00 0.00 H new ATOM 0 HB ILE A 42 3.168 -6.541 3.129 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.390 -5.200 0.399 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.490 -4.582 1.771 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.371 -6.902 2.137 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.390 -8.388 2.128 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.605 -7.454 0.628 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.595 -3.410 1.502 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.572 -4.317 3.033 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.485 -4.944 1.641 1.00 0.00 H new ATOM 724 N ASN A 43 1.451 -9.054 2.987 1.00 0.00 N ATOM 725 CA ASN A 43 1.289 -10.479 3.381 1.00 0.00 C ATOM 726 C ASN A 43 0.376 -11.205 2.415 1.00 0.00 C ATOM 727 O ASN A 43 0.632 -12.346 2.052 1.00 0.00 O ATOM 728 CB ASN A 43 0.693 -10.651 4.787 1.00 0.00 C ATOM 729 CG ASN A 43 1.553 -10.151 5.925 1.00 0.00 C ATOM 730 OD1 ASN A 43 2.794 -10.136 5.846 1.00 0.00 O ATOM 731 ND2 ASN A 43 0.910 -9.784 7.013 1.00 0.00 N ATOM 0 H ASN A 43 1.223 -8.387 3.724 1.00 0.00 H new ATOM 0 HA ASN A 43 2.295 -10.898 3.367 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -0.264 -10.131 4.823 1.00 0.00 H new ATOM 0 HB3 ASN A 43 0.487 -11.709 4.948 1.00 0.00 H new ATOM 0 HD21 ASN A 43 1.431 -9.472 7.833 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -0.109 -9.811 7.037 1.00 0.00 H new ATOM 738 N LYS A 44 -0.668 -10.512 1.992 1.00 0.00 N ATOM 739 CA LYS A 44 -1.667 -11.020 1.058 1.00 0.00 C ATOM 740 C LYS A 44 -1.020 -11.453 -0.255 1.00 0.00 C ATOM 741 O LYS A 44 -1.264 -12.561 -0.754 1.00 0.00 O ATOM 742 CB LYS A 44 -2.682 -9.911 0.777 1.00 0.00 C ATOM 743 CG LYS A 44 -3.816 -10.282 -0.172 1.00 0.00 C ATOM 744 CD LYS A 44 -4.620 -9.046 -0.580 1.00 0.00 C ATOM 745 CE LYS A 44 -5.147 -8.294 0.631 1.00 0.00 C ATOM 746 NZ LYS A 44 -5.966 -7.124 0.263 1.00 0.00 N ATOM 0 H LYS A 44 -0.852 -9.555 2.295 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.156 -11.887 1.501 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.115 -9.591 1.725 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.151 -9.054 0.363 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.408 -10.764 -1.061 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.474 -11.006 0.309 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.992 -8.383 -1.175 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.455 -9.347 -1.213 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.743 -8.971 1.243 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.307 -7.966 1.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.299 -6.648 1.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.393 -6.462 -0.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.784 -7.436 -0.299 1.00 0.00 H new ATOM 760 N PHE A 45 -0.196 -10.597 -0.800 1.00 0.00 N ATOM 761 CA PHE A 45 0.446 -10.871 -2.061 1.00 0.00 C ATOM 762 C PHE A 45 1.661 -11.767 -1.907 1.00 0.00 C ATOM 763 O PHE A 45 1.949 -12.587 -2.769 1.00 0.00 O ATOM 764 CB PHE A 45 0.744 -9.581 -2.816 1.00 0.00 C ATOM 765 CG PHE A 45 -0.505 -8.971 -3.398 1.00 0.00 C ATOM 766 CD1 PHE A 45 -1.306 -8.117 -2.660 1.00 0.00 C ATOM 767 CD2 PHE A 45 -0.884 -9.274 -4.692 1.00 0.00 C ATOM 768 CE1 PHE A 45 -2.454 -7.584 -3.204 1.00 0.00 C ATOM 769 CE2 PHE A 45 -2.031 -8.740 -5.238 1.00 0.00 C ATOM 770 CZ PHE A 45 -2.816 -7.893 -4.493 1.00 0.00 C ATOM 0 H PHE A 45 0.048 -9.697 -0.387 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.255 -11.439 -2.673 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.217 -8.867 -2.142 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.456 -9.784 -3.616 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.028 -7.866 -1.647 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.272 -9.939 -5.284 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.071 -6.921 -2.616 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.313 -8.987 -6.251 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.714 -7.472 -4.919 1.00 0.00 H new ATOM 780 N MET A 46 2.317 -11.669 -0.771 1.00 0.00 N ATOM 781 CA MET A 46 3.480 -12.510 -0.473 1.00 0.00 C ATOM 782 C MET A 46 3.014 -13.932 -0.167 1.00 0.00 C ATOM 783 O MET A 46 3.814 -14.861 -0.074 1.00 0.00 O ATOM 784 CB MET A 46 4.254 -11.965 0.732 1.00 0.00 C ATOM 785 CG MET A 46 4.851 -10.588 0.520 1.00 0.00 C ATOM 786 SD MET A 46 6.040 -10.512 -0.816 1.00 0.00 S ATOM 787 CE MET A 46 7.335 -11.525 -0.148 1.00 0.00 C ATOM 0 H MET A 46 2.071 -11.015 -0.028 1.00 0.00 H new ATOM 0 HA MET A 46 4.138 -12.508 -1.342 1.00 0.00 H new ATOM 0 HB2 MET A 46 3.586 -11.930 1.592 1.00 0.00 H new ATOM 0 HB3 MET A 46 5.055 -12.661 0.979 1.00 0.00 H new ATOM 0 HG2 MET A 46 4.046 -9.881 0.318 1.00 0.00 H new ATOM 0 HG3 MET A 46 5.334 -10.266 1.442 1.00 0.00 H new ATOM 0 HE1 MET A 46 8.223 -11.439 -0.774 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.570 -11.194 0.864 1.00 0.00 H new ATOM 0 HE3 MET A 46 7.008 -12.564 -0.123 1.00 0.00 H new ATOM 797 N ASN A 47 1.699 -14.047 0.064 1.00 0.00 N ATOM 798 CA ASN A 47 0.974 -15.304 0.302 1.00 0.00 C ATOM 799 C ASN A 47 1.343 -15.874 1.675 1.00 0.00 C ATOM 800 O ASN A 47 1.047 -17.018 2.014 1.00 0.00 O ATOM 801 CB ASN A 47 1.228 -16.316 -0.845 1.00 0.00 C ATOM 802 CG ASN A 47 0.176 -17.410 -0.943 1.00 0.00 C ATOM 803 OD1 ASN A 47 -0.841 -17.238 -1.623 1.00 0.00 O ATOM 804 ND2 ASN A 47 0.400 -18.523 -0.306 1.00 0.00 N ATOM 0 H ASN A 47 1.085 -13.233 0.091 1.00 0.00 H new ATOM 0 HA ASN A 47 -0.097 -15.101 0.308 1.00 0.00 H new ATOM 0 HB2 ASN A 47 1.267 -15.776 -1.791 1.00 0.00 H new ATOM 0 HB3 ASN A 47 2.205 -16.777 -0.701 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -0.275 -19.286 -0.360 1.00 0.00 H new ATOM 0 HD22 ASN A 47 1.250 -18.632 0.247 1.00 0.00 H new ATOM 811 N VAL A 48 1.928 -15.034 2.494 1.00 0.00 N ATOM 812 CA VAL A 48 2.343 -15.441 3.803 1.00 0.00 C ATOM 813 C VAL A 48 1.264 -15.161 4.823 1.00 0.00 C ATOM 814 O VAL A 48 0.848 -14.014 5.051 1.00 0.00 O ATOM 815 CB VAL A 48 3.715 -14.854 4.244 1.00 0.00 C ATOM 816 CG1 VAL A 48 4.834 -15.419 3.385 1.00 0.00 C ATOM 817 CG2 VAL A 48 3.723 -13.338 4.169 1.00 0.00 C ATOM 0 H VAL A 48 2.126 -14.059 2.270 1.00 0.00 H new ATOM 0 HA VAL A 48 2.498 -16.518 3.746 1.00 0.00 H new ATOM 0 HB VAL A 48 3.877 -15.143 5.282 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.787 -14.999 3.706 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.862 -16.503 3.491 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.657 -15.161 2.341 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.697 -12.963 4.484 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.528 -13.023 3.144 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.950 -12.937 4.825 1.00 0.00 H new ATOM 827 N LYS A 49 0.800 -16.205 5.414 1.00 0.00 N ATOM 828 CA LYS A 49 -0.251 -16.145 6.395 1.00 0.00 C ATOM 829 C LYS A 49 0.344 -16.396 7.764 1.00 0.00 C ATOM 830 O LYS A 49 -0.346 -16.846 8.698 1.00 0.00 O ATOM 831 CB LYS A 49 -1.340 -17.161 6.035 1.00 0.00 C ATOM 832 CG LYS A 49 -1.908 -16.908 4.646 1.00 0.00 C ATOM 833 CD LYS A 49 -2.910 -17.956 4.201 1.00 0.00 C ATOM 834 CE LYS A 49 -3.341 -17.677 2.768 1.00 0.00 C ATOM 835 NZ LYS A 49 -4.320 -18.658 2.258 1.00 0.00 N ATOM 0 H LYS A 49 1.141 -17.149 5.232 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.718 -15.160 6.409 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.927 -18.169 6.081 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.142 -17.111 6.771 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.387 -15.929 4.631 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.089 -16.873 3.928 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.467 -18.950 4.271 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.778 -17.947 4.860 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.774 -16.678 2.713 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.462 -17.680 2.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.576 -18.417 1.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.902 -19.610 2.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.173 -18.639 2.853 1.00 0.00 H new ATOM 849 N ASP A 50 1.652 -16.080 7.859 1.00 0.00 N ATOM 850 CA ASP A 50 2.450 -16.131 9.090 1.00 0.00 C ATOM 851 C ASP A 50 2.684 -17.558 9.596 1.00 0.00 C ATOM 852 O ASP A 50 1.768 -18.379 9.638 1.00 0.00 O ATOM 853 CB ASP A 50 1.837 -15.233 10.151 1.00 0.00 C ATOM 854 CG ASP A 50 2.479 -15.391 11.479 1.00 0.00 C ATOM 855 OD1 ASP A 50 3.494 -14.720 11.754 1.00 0.00 O ATOM 856 OD2 ASP A 50 1.978 -16.202 12.256 1.00 0.00 O ATOM 0 H ASP A 50 2.195 -15.773 7.052 1.00 0.00 H new ATOM 0 HA ASP A 50 3.443 -15.749 8.852 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.921 -14.194 9.833 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.773 -15.455 10.238 1.00 0.00 H new ATOM 861 N LYS A 51 3.890 -17.844 10.026 1.00 0.00 N ATOM 862 CA LYS A 51 4.241 -19.206 10.381 1.00 0.00 C ATOM 863 C LYS A 51 4.212 -19.501 11.876 1.00 0.00 C ATOM 864 O LYS A 51 4.670 -20.571 12.308 1.00 0.00 O ATOM 865 CB LYS A 51 5.560 -19.640 9.741 1.00 0.00 C ATOM 866 CG LYS A 51 6.736 -18.741 10.070 1.00 0.00 C ATOM 867 CD LYS A 51 8.069 -19.243 9.505 1.00 0.00 C ATOM 868 CE LYS A 51 8.211 -19.125 7.972 1.00 0.00 C ATOM 869 NZ LYS A 51 7.338 -20.047 7.199 1.00 0.00 N ATOM 0 H LYS A 51 4.641 -17.163 10.139 1.00 0.00 H new ATOM 0 HA LYS A 51 3.443 -19.818 9.960 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.791 -20.655 10.065 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.433 -19.672 8.659 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.539 -17.742 9.681 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.821 -18.650 11.153 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.879 -18.685 9.974 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.196 -20.288 9.788 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.987 -18.100 7.677 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.249 -19.315 7.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 7.870 -20.437 6.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 7.022 -20.824 7.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.510 -19.526 6.846 1.00 0.00 H new ATOM 883 N VAL A 52 3.667 -18.615 12.663 1.00 0.00 N ATOM 884 CA VAL A 52 3.524 -18.922 14.070 1.00 0.00 C ATOM 885 C VAL A 52 2.163 -19.578 14.272 1.00 0.00 C ATOM 886 O VAL A 52 1.372 -19.679 13.306 1.00 0.00 O ATOM 887 CB VAL A 52 3.714 -17.695 15.042 1.00 0.00 C ATOM 888 CG1 VAL A 52 4.995 -16.932 14.757 1.00 0.00 C ATOM 889 CG2 VAL A 52 2.505 -16.762 15.107 1.00 0.00 C ATOM 0 H VAL A 52 3.322 -17.700 12.372 1.00 0.00 H new ATOM 0 HA VAL A 52 4.336 -19.597 14.339 1.00 0.00 H new ATOM 0 HB VAL A 52 3.802 -18.132 16.037 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.083 -16.096 15.451 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.850 -17.597 14.880 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.974 -16.554 13.735 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.714 -15.944 15.796 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.303 -16.358 14.115 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.635 -17.318 15.457 1.00 0.00 H new ATOM 899 N HIS A 53 1.896 -20.048 15.469 1.00 0.00 N ATOM 900 CA HIS A 53 0.623 -20.678 15.782 1.00 0.00 C ATOM 901 C HIS A 53 -0.521 -19.708 15.485 1.00 0.00 C ATOM 902 O HIS A 53 -0.449 -18.533 15.836 1.00 0.00 O ATOM 903 CB HIS A 53 0.597 -21.113 17.256 1.00 0.00 C ATOM 904 CG HIS A 53 -0.646 -21.847 17.660 1.00 0.00 C ATOM 905 ND1 HIS A 53 -1.522 -21.416 18.630 1.00 0.00 N ATOM 906 CD2 HIS A 53 -1.141 -23.012 17.206 1.00 0.00 C ATOM 907 CE1 HIS A 53 -2.497 -22.308 18.735 1.00 0.00 C ATOM 908 NE2 HIS A 53 -2.315 -23.306 17.887 1.00 0.00 N ATOM 0 H HIS A 53 2.548 -20.007 16.253 1.00 0.00 H new ATOM 0 HA HIS A 53 0.498 -21.565 15.161 1.00 0.00 H new ATOM 0 HB2 HIS A 53 1.460 -21.750 17.450 1.00 0.00 H new ATOM 0 HB3 HIS A 53 0.704 -20.230 17.885 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -0.696 -23.622 16.434 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -3.328 -22.230 19.421 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -2.913 -24.122 17.759 1.00 0.00 H new ATOM 916 N LYS A 54 -1.526 -20.182 14.801 1.00 0.00 N ATOM 917 CA LYS A 54 -2.659 -19.361 14.475 1.00 0.00 C ATOM 918 C LYS A 54 -3.640 -19.393 15.630 1.00 0.00 C ATOM 919 O LYS A 54 -3.677 -20.369 16.387 1.00 0.00 O ATOM 920 CB LYS A 54 -3.330 -19.862 13.191 1.00 0.00 C ATOM 921 CG LYS A 54 -2.475 -19.830 11.903 1.00 0.00 C ATOM 922 CD LYS A 54 -2.391 -18.435 11.243 1.00 0.00 C ATOM 923 CE LYS A 54 -1.415 -17.456 11.904 1.00 0.00 C ATOM 924 NZ LYS A 54 -0.005 -17.886 11.797 1.00 0.00 N ATOM 0 H LYS A 54 -1.583 -21.140 14.456 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.329 -18.336 14.306 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.658 -20.888 13.356 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.226 -19.265 13.020 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.467 -20.171 12.139 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.891 -20.537 11.185 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.102 -18.562 10.200 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.386 -17.989 11.247 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.526 -16.474 11.443 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.677 -17.346 12.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.618 -17.113 12.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.151 -18.719 12.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.210 -18.129 10.809 1.00 0.00 H new ATOM 938 N LEU A 55 -4.418 -18.339 15.756 1.00 0.00 N ATOM 939 CA LEU A 55 -5.389 -18.187 16.784 1.00 0.00 C ATOM 940 C LEU A 55 -6.397 -19.326 16.737 1.00 0.00 C ATOM 941 O LEU A 55 -6.900 -19.682 15.664 1.00 0.00 O ATOM 942 CB LEU A 55 -6.069 -16.830 16.604 1.00 0.00 C ATOM 943 CG LEU A 55 -7.363 -16.621 17.358 1.00 0.00 C ATOM 944 CD1 LEU A 55 -7.166 -16.660 18.866 1.00 0.00 C ATOM 945 CD2 LEU A 55 -8.049 -15.349 16.924 1.00 0.00 C ATOM 0 H LEU A 55 -4.380 -17.545 15.117 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.912 -18.223 17.763 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.367 -16.053 16.908 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.265 -16.684 15.542 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.016 -17.457 17.106 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.124 -16.505 19.362 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.760 -17.630 19.155 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.472 -15.873 19.163 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.976 -15.226 17.484 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.394 -14.499 17.116 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.273 -15.402 15.859 1.00 0.00 H new ATOM 957 N GLU A 56 -6.649 -19.897 17.879 1.00 0.00 N ATOM 958 CA GLU A 56 -7.555 -21.010 18.033 1.00 0.00 C ATOM 959 C GLU A 56 -8.977 -20.627 17.659 1.00 0.00 C ATOM 960 O GLU A 56 -9.410 -19.481 17.847 1.00 0.00 O ATOM 961 CB GLU A 56 -7.534 -21.465 19.473 1.00 0.00 C ATOM 962 CG GLU A 56 -6.175 -21.905 19.946 1.00 0.00 C ATOM 963 CD GLU A 56 -6.131 -22.079 21.430 1.00 0.00 C ATOM 964 OE1 GLU A 56 -6.433 -23.185 21.921 1.00 0.00 O ATOM 965 OE2 GLU A 56 -5.784 -21.100 22.137 1.00 0.00 O ATOM 0 H GLU A 56 -6.221 -19.597 18.755 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.229 -21.810 17.368 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.884 -20.651 20.108 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -8.236 -22.289 19.595 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.909 -22.845 19.462 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.430 -21.169 19.644 1.00 0.00 H new ATOM 972 N HIS A 57 -9.684 -21.564 17.103 1.00 0.00 N ATOM 973 CA HIS A 57 -11.087 -21.385 16.803 1.00 0.00 C ATOM 974 C HIS A 57 -11.878 -21.912 17.967 1.00 0.00 C ATOM 975 O HIS A 57 -12.963 -21.436 18.270 1.00 0.00 O ATOM 976 CB HIS A 57 -11.490 -22.115 15.522 1.00 0.00 C ATOM 977 CG HIS A 57 -10.856 -21.587 14.275 1.00 0.00 C ATOM 978 ND1 HIS A 57 -11.462 -20.690 13.427 1.00 0.00 N ATOM 979 CD2 HIS A 57 -9.650 -21.858 13.731 1.00 0.00 C ATOM 980 CE1 HIS A 57 -10.633 -20.450 12.420 1.00 0.00 C ATOM 981 NE2 HIS A 57 -9.507 -21.139 12.552 1.00 0.00 N ATOM 0 H HIS A 57 -9.312 -22.477 16.841 1.00 0.00 H new ATOM 0 HA HIS A 57 -11.288 -20.326 16.643 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -11.234 -23.169 15.625 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -12.573 -22.059 15.414 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -8.913 -22.528 14.148 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -10.847 -19.781 11.600 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -8.706 -21.140 11.921 1.00 0.00 H new ATOM 989 N HIS A 58 -11.309 -22.881 18.616 1.00 0.00 N ATOM 990 CA HIS A 58 -11.869 -23.474 19.787 1.00 0.00 C ATOM 991 C HIS A 58 -10.821 -23.410 20.867 1.00 0.00 C ATOM 992 O HIS A 58 -9.791 -24.072 20.770 1.00 0.00 O ATOM 993 CB HIS A 58 -12.277 -24.934 19.494 1.00 0.00 C ATOM 994 CG HIS A 58 -12.889 -25.677 20.655 1.00 0.00 C ATOM 995 ND1 HIS A 58 -14.175 -25.479 21.108 1.00 0.00 N ATOM 996 CD2 HIS A 58 -12.361 -26.644 21.445 1.00 0.00 C ATOM 997 CE1 HIS A 58 -14.387 -26.306 22.129 1.00 0.00 C ATOM 998 NE2 HIS A 58 -13.314 -27.043 22.378 1.00 0.00 N ATOM 0 H HIS A 58 -10.418 -23.291 18.336 1.00 0.00 H new ATOM 0 HA HIS A 58 -12.766 -22.943 20.106 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -12.987 -24.937 18.667 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -11.395 -25.480 19.159 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -11.360 -27.042 21.363 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -15.312 -26.368 22.682 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -13.209 -27.754 23.102 1.00 0.00 H new ATOM 1006 N HIS A 59 -11.039 -22.577 21.843 1.00 0.00 N ATOM 1007 CA HIS A 59 -10.109 -22.451 22.937 1.00 0.00 C ATOM 1008 C HIS A 59 -10.381 -23.586 23.893 1.00 0.00 C ATOM 1009 O HIS A 59 -11.533 -23.819 24.264 1.00 0.00 O ATOM 1010 CB HIS A 59 -10.287 -21.109 23.671 1.00 0.00 C ATOM 1011 CG HIS A 59 -10.179 -19.882 22.801 1.00 0.00 C ATOM 1012 ND1 HIS A 59 -11.235 -19.035 22.541 1.00 0.00 N ATOM 1013 CD2 HIS A 59 -9.112 -19.347 22.158 1.00 0.00 C ATOM 1014 CE1 HIS A 59 -10.801 -18.046 21.771 1.00 0.00 C ATOM 1015 NE2 HIS A 59 -9.513 -18.179 21.505 1.00 0.00 N ATOM 0 H HIS A 59 -11.856 -21.970 21.907 1.00 0.00 H new ATOM 0 HA HIS A 59 -9.088 -22.485 22.556 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -11.263 -21.106 24.157 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -9.538 -21.043 24.460 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -12.189 -19.149 22.883 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -8.113 -19.758 22.152 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -11.419 -17.238 21.409 1.00 0.00 H new ATOM 1023 N HIS A 60 -9.351 -24.281 24.304 1.00 0.00 N ATOM 1024 CA HIS A 60 -9.504 -25.439 25.196 1.00 0.00 C ATOM 1025 C HIS A 60 -9.552 -25.022 26.658 1.00 0.00 C ATOM 1026 O HIS A 60 -9.224 -25.800 27.556 1.00 0.00 O ATOM 1027 CB HIS A 60 -8.389 -26.473 24.958 1.00 0.00 C ATOM 1028 CG HIS A 60 -8.498 -27.176 23.639 1.00 0.00 C ATOM 1029 ND1 HIS A 60 -8.822 -28.508 23.499 1.00 0.00 N ATOM 1030 CD2 HIS A 60 -8.320 -26.705 22.388 1.00 0.00 C ATOM 1031 CE1 HIS A 60 -8.835 -28.795 22.197 1.00 0.00 C ATOM 1032 NE2 HIS A 60 -8.536 -27.729 21.474 1.00 0.00 N ATOM 0 H HIS A 60 -8.387 -24.076 24.043 1.00 0.00 H new ATOM 0 HA HIS A 60 -10.459 -25.907 24.957 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -7.422 -25.973 25.015 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -8.413 -27.213 25.758 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -8.051 -25.690 22.136 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -9.060 -29.769 21.787 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -8.476 -27.671 20.457 1.00 0.00 H new ATOM 1040 N HIS A 61 -10.034 -23.837 26.895 1.00 0.00 N ATOM 1041 CA HIS A 61 -10.154 -23.293 28.218 1.00 0.00 C ATOM 1042 C HIS A 61 -11.276 -22.275 28.225 1.00 0.00 C ATOM 1043 O HIS A 61 -11.462 -21.555 27.234 1.00 0.00 O ATOM 1044 CB HIS A 61 -8.824 -22.635 28.675 1.00 0.00 C ATOM 1045 CG HIS A 61 -8.381 -21.457 27.839 1.00 0.00 C ATOM 1046 ND1 HIS A 61 -8.452 -20.153 28.260 1.00 0.00 N ATOM 1047 CD2 HIS A 61 -7.860 -21.415 26.589 1.00 0.00 C ATOM 1048 CE1 HIS A 61 -7.988 -19.374 27.283 1.00 0.00 C ATOM 1049 NE2 HIS A 61 -7.614 -20.094 26.242 1.00 0.00 N ATOM 0 H HIS A 61 -10.361 -23.209 26.161 1.00 0.00 H new ATOM 0 HA HIS A 61 -10.378 -24.098 28.918 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -8.933 -22.308 29.709 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -8.038 -23.390 28.660 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -7.667 -22.273 25.962 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -7.926 -18.297 27.336 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -7.225 -19.751 25.364 1.00 0.00 H new ATOM 1057 N HIS A 62 -12.036 -22.246 29.281 1.00 0.00 N ATOM 1058 CA HIS A 62 -13.074 -21.260 29.453 1.00 0.00 C ATOM 1059 C HIS A 62 -13.280 -20.990 30.933 1.00 0.00 C ATOM 1060 O HIS A 62 -14.218 -21.513 31.536 1.00 0.00 O ATOM 1061 CB HIS A 62 -14.409 -21.630 28.704 1.00 0.00 C ATOM 1062 CG HIS A 62 -15.059 -22.951 29.072 1.00 0.00 C ATOM 1063 ND1 HIS A 62 -16.227 -23.064 29.806 1.00 0.00 N ATOM 1064 CD2 HIS A 62 -14.704 -24.211 28.753 1.00 0.00 C ATOM 1065 CE1 HIS A 62 -16.533 -24.355 29.905 1.00 0.00 C ATOM 1066 NE2 HIS A 62 -15.639 -25.103 29.278 1.00 0.00 N ATOM 1067 OXT HIS A 62 -12.468 -20.269 31.519 1.00 0.00 O ATOM 0 H HIS A 62 -11.956 -22.907 30.054 1.00 0.00 H new ATOM 0 HA HIS A 62 -12.745 -20.335 28.979 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -15.131 -20.834 28.885 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -14.206 -21.638 27.633 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -13.831 -24.487 28.180 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -17.396 -24.741 30.427 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -15.635 -26.120 29.196 1.00 0.00 H new TER 1075 HIS A 62 ATOM 1076 N MET B 1 10.667 21.283 3.088 1.00 0.00 N ATOM 1077 CA MET B 1 10.837 20.303 2.010 1.00 0.00 C ATOM 1078 C MET B 1 9.712 20.496 1.011 1.00 0.00 C ATOM 1079 O MET B 1 8.626 20.929 1.389 1.00 0.00 O ATOM 1080 CB MET B 1 10.788 18.865 2.577 1.00 0.00 C ATOM 1081 CG MET B 1 9.411 18.438 3.101 1.00 0.00 C ATOM 1082 SD MET B 1 9.423 16.832 3.917 1.00 0.00 S ATOM 1083 CE MET B 1 10.333 17.231 5.410 1.00 0.00 C ATOM 0 H1 MET B 1 10.920 20.846 3.997 1.00 0.00 H new ATOM 0 H2 MET B 1 11.284 22.102 2.913 1.00 0.00 H new ATOM 0 H3 MET B 1 9.676 21.597 3.119 1.00 0.00 H new ATOM 0 HA MET B 1 11.804 20.449 1.528 1.00 0.00 H new ATOM 0 HB2 MET B 1 11.099 18.169 1.798 1.00 0.00 H new ATOM 0 HB3 MET B 1 11.513 18.781 3.386 1.00 0.00 H new ATOM 0 HG2 MET B 1 9.048 19.190 3.801 1.00 0.00 H new ATOM 0 HG3 MET B 1 8.707 18.410 2.270 1.00 0.00 H new ATOM 0 HE1 MET B 1 10.160 16.458 6.159 1.00 0.00 H new ATOM 0 HE2 MET B 1 11.398 17.285 5.184 1.00 0.00 H new ATOM 0 HE3 MET B 1 9.995 18.193 5.796 1.00 0.00 H new ATOM 1095 N GLU B 2 9.950 20.212 -0.243 1.00 0.00 N ATOM 1096 CA GLU B 2 8.902 20.332 -1.230 1.00 0.00 C ATOM 1097 C GLU B 2 8.217 18.999 -1.404 1.00 0.00 C ATOM 1098 O GLU B 2 8.870 17.998 -1.717 1.00 0.00 O ATOM 1099 CB GLU B 2 9.428 20.863 -2.565 1.00 0.00 C ATOM 1100 CG GLU B 2 9.977 22.278 -2.476 1.00 0.00 C ATOM 1101 CD GLU B 2 8.980 23.229 -1.852 1.00 0.00 C ATOM 1102 OE1 GLU B 2 7.904 23.463 -2.435 1.00 0.00 O ATOM 1103 OE2 GLU B 2 9.231 23.721 -0.737 1.00 0.00 O ATOM 0 H GLU B 2 10.850 19.899 -0.605 1.00 0.00 H new ATOM 0 HA GLU B 2 8.177 21.062 -0.871 1.00 0.00 H new ATOM 0 HB2 GLU B 2 10.212 20.199 -2.928 1.00 0.00 H new ATOM 0 HB3 GLU B 2 8.623 20.839 -3.300 1.00 0.00 H new ATOM 0 HG2 GLU B 2 10.894 22.276 -1.887 1.00 0.00 H new ATOM 0 HG3 GLU B 2 10.239 22.630 -3.474 1.00 0.00 H new ATOM 1110 N MET B 3 6.908 18.980 -1.214 1.00 0.00 N ATOM 1111 CA MET B 3 6.159 17.736 -1.252 1.00 0.00 C ATOM 1112 C MET B 3 6.159 17.057 -2.611 1.00 0.00 C ATOM 1113 O MET B 3 6.050 15.839 -2.691 1.00 0.00 O ATOM 1114 CB MET B 3 4.756 17.840 -0.631 1.00 0.00 C ATOM 1115 CG MET B 3 3.775 18.820 -1.245 1.00 0.00 C ATOM 1116 SD MET B 3 3.220 18.392 -2.913 1.00 0.00 S ATOM 1117 CE MET B 3 1.880 19.568 -3.119 1.00 0.00 C ATOM 0 H MET B 3 6.344 19.810 -1.032 1.00 0.00 H new ATOM 0 HA MET B 3 6.717 17.065 -0.599 1.00 0.00 H new ATOM 0 HB2 MET B 3 4.302 16.849 -0.664 1.00 0.00 H new ATOM 0 HB3 MET B 3 4.875 18.102 0.420 1.00 0.00 H new ATOM 0 HG2 MET B 3 2.903 18.895 -0.595 1.00 0.00 H new ATOM 0 HG3 MET B 3 4.238 19.806 -1.273 1.00 0.00 H new ATOM 0 HE1 MET B 3 1.428 19.436 -4.102 1.00 0.00 H new ATOM 0 HE2 MET B 3 1.127 19.401 -2.348 1.00 0.00 H new ATOM 0 HE3 MET B 3 2.269 20.582 -3.032 1.00 0.00 H new ATOM 1127 N GLY B 4 6.339 17.836 -3.670 1.00 0.00 N ATOM 1128 CA GLY B 4 6.399 17.262 -4.997 1.00 0.00 C ATOM 1129 C GLY B 4 7.632 16.398 -5.172 1.00 0.00 C ATOM 1130 O GLY B 4 7.560 15.304 -5.751 1.00 0.00 O ATOM 0 H GLY B 4 6.444 18.850 -3.633 1.00 0.00 H new ATOM 0 HA2 GLY B 4 5.506 16.664 -5.177 1.00 0.00 H new ATOM 0 HA3 GLY B 4 6.404 18.060 -5.740 1.00 0.00 H new ATOM 1134 N GLN B 5 8.757 16.873 -4.638 1.00 0.00 N ATOM 1135 CA GLN B 5 10.016 16.135 -4.691 1.00 0.00 C ATOM 1136 C GLN B 5 9.935 14.931 -3.760 1.00 0.00 C ATOM 1137 O GLN B 5 10.400 13.834 -4.088 1.00 0.00 O ATOM 1138 CB GLN B 5 11.196 17.018 -4.262 1.00 0.00 C ATOM 1139 CG GLN B 5 11.420 18.272 -5.106 1.00 0.00 C ATOM 1140 CD GLN B 5 12.637 19.063 -4.637 1.00 0.00 C ATOM 1141 OE1 GLN B 5 13.578 18.497 -4.101 1.00 0.00 O ATOM 1142 NE2 GLN B 5 12.633 20.353 -4.825 1.00 0.00 N ATOM 0 H GLN B 5 8.820 17.772 -4.161 1.00 0.00 H new ATOM 0 HA GLN B 5 10.179 15.812 -5.719 1.00 0.00 H new ATOM 0 HB2 GLN B 5 11.043 17.321 -3.226 1.00 0.00 H new ATOM 0 HB3 GLN B 5 12.105 16.417 -4.287 1.00 0.00 H new ATOM 0 HG2 GLN B 5 11.552 17.988 -6.150 1.00 0.00 H new ATOM 0 HG3 GLN B 5 10.534 18.906 -5.057 1.00 0.00 H new ATOM 0 HE21 GLN B 5 11.834 20.800 -5.275 1.00 0.00 H new ATOM 0 HE22 GLN B 5 13.428 20.915 -4.522 1.00 0.00 H new ATOM 1151 N LEU B 6 9.331 15.157 -2.606 1.00 0.00 N ATOM 1152 CA LEU B 6 9.132 14.142 -1.582 1.00 0.00 C ATOM 1153 C LEU B 6 8.275 12.981 -2.121 1.00 0.00 C ATOM 1154 O LEU B 6 8.655 11.814 -1.999 1.00 0.00 O ATOM 1155 CB LEU B 6 8.521 14.832 -0.315 1.00 0.00 C ATOM 1156 CG LEU B 6 8.111 13.990 0.926 1.00 0.00 C ATOM 1157 CD1 LEU B 6 6.773 13.300 0.727 1.00 0.00 C ATOM 1158 CD2 LEU B 6 9.188 12.976 1.288 1.00 0.00 C ATOM 0 H LEU B 6 8.957 16.070 -2.348 1.00 0.00 H new ATOM 0 HA LEU B 6 10.082 13.691 -1.295 1.00 0.00 H new ATOM 0 HB2 LEU B 6 9.242 15.575 0.025 1.00 0.00 H new ATOM 0 HB3 LEU B 6 7.634 15.375 -0.642 1.00 0.00 H new ATOM 0 HG LEU B 6 8.003 14.686 1.758 1.00 0.00 H new ATOM 0 HD11 LEU B 6 6.525 12.723 1.618 1.00 0.00 H new ATOM 0 HD12 LEU B 6 6.000 14.048 0.553 1.00 0.00 H new ATOM 0 HD13 LEU B 6 6.832 12.633 -0.133 1.00 0.00 H new ATOM 0 HD21 LEU B 6 8.871 12.404 2.160 1.00 0.00 H new ATOM 0 HD22 LEU B 6 9.348 12.300 0.448 1.00 0.00 H new ATOM 0 HD23 LEU B 6 10.117 13.498 1.516 1.00 0.00 H new ATOM 1170 N LYS B 7 7.159 13.313 -2.756 1.00 0.00 N ATOM 1171 CA LYS B 7 6.238 12.312 -3.298 1.00 0.00 C ATOM 1172 C LYS B 7 6.938 11.521 -4.409 1.00 0.00 C ATOM 1173 O LYS B 7 6.737 10.323 -4.557 1.00 0.00 O ATOM 1174 CB LYS B 7 4.980 13.005 -3.856 1.00 0.00 C ATOM 1175 CG LYS B 7 3.644 12.327 -3.515 1.00 0.00 C ATOM 1176 CD LYS B 7 3.490 10.919 -4.101 1.00 0.00 C ATOM 1177 CE LYS B 7 3.570 10.910 -5.614 1.00 0.00 C ATOM 1178 NZ LYS B 7 2.532 11.738 -6.260 1.00 0.00 N ATOM 0 H LYS B 7 6.864 14.277 -2.912 1.00 0.00 H new ATOM 0 HA LYS B 7 5.940 11.628 -2.504 1.00 0.00 H new ATOM 0 HB2 LYS B 7 4.954 14.028 -3.481 1.00 0.00 H new ATOM 0 HB3 LYS B 7 5.070 13.065 -4.941 1.00 0.00 H new ATOM 0 HG2 LYS B 7 3.543 12.271 -2.431 1.00 0.00 H new ATOM 0 HG3 LYS B 7 2.828 12.952 -3.879 1.00 0.00 H new ATOM 0 HD2 LYS B 7 4.268 10.273 -3.695 1.00 0.00 H new ATOM 0 HD3 LYS B 7 2.533 10.501 -3.788 1.00 0.00 H new ATOM 0 HE2 LYS B 7 4.553 11.268 -5.921 1.00 0.00 H new ATOM 0 HE3 LYS B 7 3.479 9.884 -5.969 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 2.577 11.609 -7.291 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 1.594 11.450 -5.916 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 2.693 12.739 -6.029 1.00 0.00 H new ATOM 1192 N ASN B 8 7.794 12.210 -5.147 1.00 0.00 N ATOM 1193 CA ASN B 8 8.564 11.612 -6.240 1.00 0.00 C ATOM 1194 C ASN B 8 9.490 10.508 -5.700 1.00 0.00 C ATOM 1195 O ASN B 8 9.657 9.453 -6.324 1.00 0.00 O ATOM 1196 CB ASN B 8 9.369 12.707 -6.971 1.00 0.00 C ATOM 1197 CG ASN B 8 10.203 12.187 -8.127 1.00 0.00 C ATOM 1198 OD1 ASN B 8 9.723 12.086 -9.253 1.00 0.00 O ATOM 1199 ND2 ASN B 8 11.461 11.925 -7.886 1.00 0.00 N ATOM 0 H ASN B 8 7.979 13.204 -5.009 1.00 0.00 H new ATOM 0 HA ASN B 8 7.880 11.154 -6.954 1.00 0.00 H new ATOM 0 HB2 ASN B 8 8.679 13.463 -7.345 1.00 0.00 H new ATOM 0 HB3 ASN B 8 10.026 13.201 -6.255 1.00 0.00 H new ATOM 0 HD21 ASN B 8 12.074 11.627 -8.645 1.00 0.00 H new ATOM 0 HD22 ASN B 8 11.829 12.019 -6.939 1.00 0.00 H new ATOM 1206 N LYS B 9 10.053 10.750 -4.524 1.00 0.00 N ATOM 1207 CA LYS B 9 10.916 9.779 -3.854 1.00 0.00 C ATOM 1208 C LYS B 9 10.084 8.610 -3.353 1.00 0.00 C ATOM 1209 O LYS B 9 10.512 7.457 -3.409 1.00 0.00 O ATOM 1210 CB LYS B 9 11.639 10.432 -2.676 1.00 0.00 C ATOM 1211 CG LYS B 9 12.548 11.581 -3.075 1.00 0.00 C ATOM 1212 CD LYS B 9 13.126 12.304 -1.865 1.00 0.00 C ATOM 1213 CE LYS B 9 13.973 11.385 -1.001 1.00 0.00 C ATOM 1214 NZ LYS B 9 14.544 12.085 0.160 1.00 0.00 N ATOM 0 H LYS B 9 9.927 11.620 -4.007 1.00 0.00 H new ATOM 0 HA LYS B 9 11.656 9.420 -4.569 1.00 0.00 H new ATOM 0 HB2 LYS B 9 10.898 10.797 -1.965 1.00 0.00 H new ATOM 0 HB3 LYS B 9 12.230 9.675 -2.160 1.00 0.00 H new ATOM 0 HG2 LYS B 9 13.362 11.201 -3.692 1.00 0.00 H new ATOM 0 HG3 LYS B 9 11.989 12.289 -3.686 1.00 0.00 H new ATOM 0 HD2 LYS B 9 13.732 13.145 -2.201 1.00 0.00 H new ATOM 0 HD3 LYS B 9 12.313 12.716 -1.267 1.00 0.00 H new ATOM 0 HE2 LYS B 9 13.364 10.550 -0.656 1.00 0.00 H new ATOM 0 HE3 LYS B 9 14.779 10.965 -1.602 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 15.114 11.420 0.721 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 15.147 12.866 -0.168 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 13.775 12.464 0.749 1.00 0.00 H new ATOM 1228 N ILE B 10 8.894 8.929 -2.867 1.00 0.00 N ATOM 1229 CA ILE B 10 7.937 7.937 -2.397 1.00 0.00 C ATOM 1230 C ILE B 10 7.573 6.988 -3.511 1.00 0.00 C ATOM 1231 O ILE B 10 7.558 5.778 -3.313 1.00 0.00 O ATOM 1232 CB ILE B 10 6.674 8.621 -1.810 1.00 0.00 C ATOM 1233 CG1 ILE B 10 7.040 9.272 -0.483 1.00 0.00 C ATOM 1234 CG2 ILE B 10 5.492 7.654 -1.660 1.00 0.00 C ATOM 1235 CD1 ILE B 10 5.910 9.971 0.197 1.00 0.00 C ATOM 0 H ILE B 10 8.562 9.890 -2.787 1.00 0.00 H new ATOM 0 HA ILE B 10 8.403 7.361 -1.598 1.00 0.00 H new ATOM 0 HB ILE B 10 6.337 9.384 -2.511 1.00 0.00 H new ATOM 0 HG12 ILE B 10 7.432 8.507 0.187 1.00 0.00 H new ATOM 0 HG13 ILE B 10 7.843 9.988 -0.654 1.00 0.00 H new ATOM 0 HG21 ILE B 10 4.636 8.187 -1.245 1.00 0.00 H new ATOM 0 HG22 ILE B 10 5.228 7.248 -2.636 1.00 0.00 H new ATOM 0 HG23 ILE B 10 5.771 6.839 -0.992 1.00 0.00 H new ATOM 0 HD11 ILE B 10 6.261 10.405 1.133 1.00 0.00 H new ATOM 0 HD12 ILE B 10 5.530 10.762 -0.449 1.00 0.00 H new ATOM 0 HD13 ILE B 10 5.113 9.257 0.404 1.00 0.00 H new ATOM 1247 N GLU B 11 7.308 7.548 -4.677 1.00 0.00 N ATOM 1248 CA GLU B 11 7.026 6.778 -5.875 1.00 0.00 C ATOM 1249 C GLU B 11 8.108 5.762 -6.133 1.00 0.00 C ATOM 1250 O GLU B 11 7.829 4.573 -6.226 1.00 0.00 O ATOM 1251 CB GLU B 11 6.888 7.700 -7.066 1.00 0.00 C ATOM 1252 CG GLU B 11 5.613 8.489 -7.054 1.00 0.00 C ATOM 1253 CD GLU B 11 4.430 7.585 -7.186 1.00 0.00 C ATOM 1254 OE1 GLU B 11 4.218 7.028 -8.285 1.00 0.00 O ATOM 1255 OE2 GLU B 11 3.694 7.389 -6.206 1.00 0.00 O ATOM 0 H GLU B 11 7.282 8.558 -4.821 1.00 0.00 H new ATOM 0 HA GLU B 11 6.087 6.246 -5.722 1.00 0.00 H new ATOM 0 HB2 GLU B 11 7.734 8.388 -7.086 1.00 0.00 H new ATOM 0 HB3 GLU B 11 6.935 7.111 -7.982 1.00 0.00 H new ATOM 0 HG2 GLU B 11 5.540 9.058 -6.127 1.00 0.00 H new ATOM 0 HG3 GLU B 11 5.618 9.210 -7.871 1.00 0.00 H new ATOM 1262 N ASN B 12 9.330 6.237 -6.216 1.00 0.00 N ATOM 1263 CA ASN B 12 10.493 5.386 -6.432 1.00 0.00 C ATOM 1264 C ASN B 12 10.598 4.298 -5.374 1.00 0.00 C ATOM 1265 O ASN B 12 10.764 3.141 -5.702 1.00 0.00 O ATOM 1266 CB ASN B 12 11.780 6.226 -6.458 1.00 0.00 C ATOM 1267 CG ASN B 12 13.043 5.381 -6.552 1.00 0.00 C ATOM 1268 OD1 ASN B 12 13.472 5.013 -7.641 1.00 0.00 O ATOM 1269 ND2 ASN B 12 13.675 5.127 -5.431 1.00 0.00 N ATOM 0 H ASN B 12 9.553 7.229 -6.136 1.00 0.00 H new ATOM 0 HA ASN B 12 10.366 4.900 -7.399 1.00 0.00 H new ATOM 0 HB2 ASN B 12 11.743 6.910 -7.306 1.00 0.00 H new ATOM 0 HB3 ASN B 12 11.826 6.838 -5.557 1.00 0.00 H new ATOM 0 HD21 ASN B 12 14.553 4.608 -5.447 1.00 0.00 H new ATOM 0 HD22 ASN B 12 13.289 5.449 -4.544 1.00 0.00 H new ATOM 1276 N LYS B 13 10.440 4.679 -4.119 1.00 0.00 N ATOM 1277 CA LYS B 13 10.593 3.757 -2.996 1.00 0.00 C ATOM 1278 C LYS B 13 9.515 2.674 -3.026 1.00 0.00 C ATOM 1279 O LYS B 13 9.796 1.487 -2.827 1.00 0.00 O ATOM 1280 CB LYS B 13 10.523 4.531 -1.684 1.00 0.00 C ATOM 1281 CG LYS B 13 11.102 3.789 -0.489 1.00 0.00 C ATOM 1282 CD LYS B 13 12.570 3.443 -0.713 1.00 0.00 C ATOM 1283 CE LYS B 13 13.396 4.662 -1.071 1.00 0.00 C ATOM 1284 NZ LYS B 13 14.800 4.318 -1.318 1.00 0.00 N ATOM 0 H LYS B 13 10.203 5.632 -3.845 1.00 0.00 H new ATOM 0 HA LYS B 13 11.564 3.269 -3.078 1.00 0.00 H new ATOM 0 HB2 LYS B 13 11.055 5.475 -1.804 1.00 0.00 H new ATOM 0 HB3 LYS B 13 9.482 4.776 -1.475 1.00 0.00 H new ATOM 0 HG2 LYS B 13 11.003 4.403 0.406 1.00 0.00 H new ATOM 0 HG3 LYS B 13 10.533 2.876 -0.314 1.00 0.00 H new ATOM 0 HD2 LYS B 13 12.975 2.983 0.189 1.00 0.00 H new ATOM 0 HD3 LYS B 13 12.650 2.705 -1.511 1.00 0.00 H new ATOM 0 HE2 LYS B 13 12.977 5.137 -1.958 1.00 0.00 H new ATOM 0 HE3 LYS B 13 13.338 5.390 -0.262 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 15.313 5.163 -1.642 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 15.231 3.967 -0.439 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 14.853 3.580 -2.049 1.00 0.00 H new ATOM 1298 N LYS B 14 8.296 3.111 -3.281 1.00 0.00 N ATOM 1299 CA LYS B 14 7.126 2.257 -3.428 1.00 0.00 C ATOM 1300 C LYS B 14 7.401 1.223 -4.512 1.00 0.00 C ATOM 1301 O LYS B 14 7.211 0.035 -4.327 1.00 0.00 O ATOM 1302 CB LYS B 14 5.955 3.153 -3.865 1.00 0.00 C ATOM 1303 CG LYS B 14 4.616 2.468 -4.065 1.00 0.00 C ATOM 1304 CD LYS B 14 3.575 3.448 -4.616 1.00 0.00 C ATOM 1305 CE LYS B 14 3.836 3.781 -6.073 1.00 0.00 C ATOM 1306 NZ LYS B 14 2.969 4.870 -6.575 1.00 0.00 N ATOM 0 H LYS B 14 8.083 4.102 -3.396 1.00 0.00 H new ATOM 0 HA LYS B 14 6.894 1.745 -2.494 1.00 0.00 H new ATOM 0 HB2 LYS B 14 5.829 3.937 -3.119 1.00 0.00 H new ATOM 0 HB3 LYS B 14 6.230 3.643 -4.799 1.00 0.00 H new ATOM 0 HG2 LYS B 14 4.731 1.630 -4.752 1.00 0.00 H new ATOM 0 HG3 LYS B 14 4.268 2.057 -3.117 1.00 0.00 H new ATOM 0 HD2 LYS B 14 2.579 3.017 -4.514 1.00 0.00 H new ATOM 0 HD3 LYS B 14 3.588 4.364 -4.025 1.00 0.00 H new ATOM 0 HE2 LYS B 14 4.880 4.069 -6.194 1.00 0.00 H new ATOM 0 HE3 LYS B 14 3.679 2.889 -6.679 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 3.153 5.022 -7.587 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 1.971 4.610 -6.440 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 3.172 5.745 -6.051 1.00 0.00 H new ATOM 1320 N LYS B 15 7.896 1.713 -5.613 1.00 0.00 N ATOM 1321 CA LYS B 15 8.192 0.919 -6.788 1.00 0.00 C ATOM 1322 C LYS B 15 9.367 -0.024 -6.563 1.00 0.00 C ATOM 1323 O LYS B 15 9.329 -1.172 -7.019 1.00 0.00 O ATOM 1324 CB LYS B 15 8.363 1.841 -7.993 1.00 0.00 C ATOM 1325 CG LYS B 15 7.032 2.474 -8.399 1.00 0.00 C ATOM 1326 CD LYS B 15 7.195 3.726 -9.247 1.00 0.00 C ATOM 1327 CE LYS B 15 5.837 4.203 -9.762 1.00 0.00 C ATOM 1328 NZ LYS B 15 5.924 5.412 -10.603 1.00 0.00 N ATOM 0 H LYS B 15 8.113 2.703 -5.729 1.00 0.00 H new ATOM 0 HA LYS B 15 7.351 0.259 -6.998 1.00 0.00 H new ATOM 0 HB2 LYS B 15 9.083 2.624 -7.756 1.00 0.00 H new ATOM 0 HB3 LYS B 15 8.771 1.276 -8.831 1.00 0.00 H new ATOM 0 HG2 LYS B 15 6.444 1.742 -8.953 1.00 0.00 H new ATOM 0 HG3 LYS B 15 6.467 2.723 -7.501 1.00 0.00 H new ATOM 0 HD2 LYS B 15 7.664 4.514 -8.657 1.00 0.00 H new ATOM 0 HD3 LYS B 15 7.858 3.520 -10.088 1.00 0.00 H new ATOM 0 HE2 LYS B 15 5.372 3.402 -10.337 1.00 0.00 H new ATOM 0 HE3 LYS B 15 5.185 4.406 -8.913 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 5.424 6.196 -10.137 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 6.922 5.670 -10.738 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 5.487 5.224 -11.528 1.00 0.00 H new ATOM 1342 N GLU B 16 10.390 0.446 -5.837 1.00 0.00 N ATOM 1343 CA GLU B 16 11.496 -0.419 -5.412 1.00 0.00 C ATOM 1344 C GLU B 16 10.941 -1.619 -4.647 1.00 0.00 C ATOM 1345 O GLU B 16 11.333 -2.764 -4.888 1.00 0.00 O ATOM 1346 CB GLU B 16 12.495 0.308 -4.488 1.00 0.00 C ATOM 1347 CG GLU B 16 13.408 1.341 -5.119 1.00 0.00 C ATOM 1348 CD GLU B 16 14.427 1.842 -4.106 1.00 0.00 C ATOM 1349 OE1 GLU B 16 15.396 1.104 -3.809 1.00 0.00 O ATOM 1350 OE2 GLU B 16 14.275 2.940 -3.564 1.00 0.00 O ATOM 0 H GLU B 16 10.474 1.416 -5.533 1.00 0.00 H new ATOM 0 HA GLU B 16 12.021 -0.726 -6.317 1.00 0.00 H new ATOM 0 HB2 GLU B 16 11.927 0.799 -3.698 1.00 0.00 H new ATOM 0 HB3 GLU B 16 13.120 -0.446 -4.009 1.00 0.00 H new ATOM 0 HG2 GLU B 16 13.922 0.905 -5.976 1.00 0.00 H new ATOM 0 HG3 GLU B 16 12.817 2.177 -5.493 1.00 0.00 H new ATOM 1357 N LEU B 17 9.997 -1.340 -3.758 1.00 0.00 N ATOM 1358 CA LEU B 17 9.372 -2.353 -2.932 1.00 0.00 C ATOM 1359 C LEU B 17 8.575 -3.328 -3.766 1.00 0.00 C ATOM 1360 O LEU B 17 8.645 -4.536 -3.551 1.00 0.00 O ATOM 1361 CB LEU B 17 8.427 -1.722 -1.934 1.00 0.00 C ATOM 1362 CG LEU B 17 7.609 -2.715 -1.132 1.00 0.00 C ATOM 1363 CD1 LEU B 17 8.357 -3.344 -0.027 1.00 0.00 C ATOM 1364 CD2 LEU B 17 6.286 -2.175 -0.747 1.00 0.00 C ATOM 0 H LEU B 17 9.644 -0.397 -3.592 1.00 0.00 H new ATOM 0 HA LEU B 17 10.176 -2.878 -2.416 1.00 0.00 H new ATOM 0 HB2 LEU B 17 9.004 -1.105 -1.245 1.00 0.00 H new ATOM 0 HB3 LEU B 17 7.748 -1.056 -2.466 1.00 0.00 H new ATOM 0 HG LEU B 17 7.395 -3.546 -1.804 1.00 0.00 H new ATOM 0 HD11 LEU B 17 7.707 -4.042 0.501 1.00 0.00 H new ATOM 0 HD12 LEU B 17 9.216 -3.881 -0.429 1.00 0.00 H new ATOM 0 HD13 LEU B 17 8.701 -2.574 0.664 1.00 0.00 H new ATOM 0 HD21 LEU B 17 5.740 -2.925 -0.175 1.00 0.00 H new ATOM 0 HD22 LEU B 17 6.421 -1.281 -0.138 1.00 0.00 H new ATOM 0 HD23 LEU B 17 5.722 -1.921 -1.644 1.00 0.00 H new ATOM 1376 N ILE B 18 7.801 -2.800 -4.696 1.00 0.00 N ATOM 1377 CA ILE B 18 6.957 -3.622 -5.542 1.00 0.00 C ATOM 1378 C ILE B 18 7.800 -4.623 -6.308 1.00 0.00 C ATOM 1379 O ILE B 18 7.469 -5.788 -6.360 1.00 0.00 O ATOM 1380 CB ILE B 18 6.107 -2.784 -6.531 1.00 0.00 C ATOM 1381 CG1 ILE B 18 5.246 -1.784 -5.758 1.00 0.00 C ATOM 1382 CG2 ILE B 18 5.214 -3.717 -7.360 1.00 0.00 C ATOM 1383 CD1 ILE B 18 4.623 -0.703 -6.610 1.00 0.00 C ATOM 0 H ILE B 18 7.740 -1.800 -4.885 1.00 0.00 H new ATOM 0 HA ILE B 18 6.265 -4.147 -4.884 1.00 0.00 H new ATOM 0 HB ILE B 18 6.769 -2.235 -7.201 1.00 0.00 H new ATOM 0 HG12 ILE B 18 4.452 -2.327 -5.245 1.00 0.00 H new ATOM 0 HG13 ILE B 18 5.859 -1.314 -4.989 1.00 0.00 H new ATOM 0 HG21 ILE B 18 4.617 -3.127 -8.055 1.00 0.00 H new ATOM 0 HG22 ILE B 18 5.837 -4.415 -7.919 1.00 0.00 H new ATOM 0 HG23 ILE B 18 4.553 -4.273 -6.695 1.00 0.00 H new ATOM 0 HD11 ILE B 18 4.030 -0.040 -5.980 1.00 0.00 H new ATOM 0 HD12 ILE B 18 5.409 -0.130 -7.102 1.00 0.00 H new ATOM 0 HD13 ILE B 18 3.980 -1.159 -7.363 1.00 0.00 H new ATOM 1395 N GLN B 19 8.915 -4.158 -6.855 1.00 0.00 N ATOM 1396 CA GLN B 19 9.842 -5.019 -7.577 1.00 0.00 C ATOM 1397 C GLN B 19 10.361 -6.137 -6.666 1.00 0.00 C ATOM 1398 O GLN B 19 10.545 -7.272 -7.100 1.00 0.00 O ATOM 1399 CB GLN B 19 11.001 -4.200 -8.130 1.00 0.00 C ATOM 1400 CG GLN B 19 10.581 -3.153 -9.159 1.00 0.00 C ATOM 1401 CD GLN B 19 11.733 -2.281 -9.626 1.00 0.00 C ATOM 1402 OE1 GLN B 19 12.691 -2.043 -8.764 1.00 0.00 O flip ATOM 1403 NE2 GLN B 19 11.753 -1.810 -10.765 1.00 0.00 N flip ATOM 0 H GLN B 19 9.201 -3.180 -6.811 1.00 0.00 H new ATOM 0 HA GLN B 19 9.311 -5.477 -8.411 1.00 0.00 H new ATOM 0 HB2 GLN B 19 11.508 -3.701 -7.304 1.00 0.00 H new ATOM 0 HB3 GLN B 19 11.725 -4.875 -8.587 1.00 0.00 H new ATOM 0 HG2 GLN B 19 10.141 -3.655 -10.021 1.00 0.00 H new ATOM 0 HG3 GLN B 19 9.805 -2.520 -8.728 1.00 0.00 H new ATOM 0 HE21 GLN B 19 10.993 -2.013 -11.414 1.00 0.00 H new ATOM 0 HE22 GLN B 19 12.530 -1.217 -11.058 1.00 0.00 H new ATOM 1412 N LEU B 20 10.553 -5.810 -5.401 1.00 0.00 N ATOM 1413 CA LEU B 20 10.980 -6.771 -4.397 1.00 0.00 C ATOM 1414 C LEU B 20 9.903 -7.826 -4.126 1.00 0.00 C ATOM 1415 O LEU B 20 10.180 -9.025 -4.226 1.00 0.00 O ATOM 1416 CB LEU B 20 11.386 -6.075 -3.097 1.00 0.00 C ATOM 1417 CG LEU B 20 12.876 -5.747 -2.877 1.00 0.00 C ATOM 1418 CD1 LEU B 20 13.495 -5.057 -4.048 1.00 0.00 C ATOM 1419 CD2 LEU B 20 13.029 -4.874 -1.664 1.00 0.00 C ATOM 0 H LEU B 20 10.417 -4.866 -5.038 1.00 0.00 H new ATOM 0 HA LEU B 20 11.855 -7.282 -4.799 1.00 0.00 H new ATOM 0 HB2 LEU B 20 10.827 -5.142 -3.031 1.00 0.00 H new ATOM 0 HB3 LEU B 20 11.058 -6.702 -2.268 1.00 0.00 H new ATOM 0 HG LEU B 20 13.392 -6.698 -2.740 1.00 0.00 H new ATOM 0 HD11 LEU B 20 14.544 -4.851 -3.836 1.00 0.00 H new ATOM 0 HD12 LEU B 20 13.421 -5.696 -4.928 1.00 0.00 H new ATOM 0 HD13 LEU B 20 12.972 -4.119 -4.236 1.00 0.00 H new ATOM 0 HD21 LEU B 20 14.084 -4.644 -1.512 1.00 0.00 H new ATOM 0 HD22 LEU B 20 12.473 -3.948 -1.810 1.00 0.00 H new ATOM 0 HD23 LEU B 20 12.641 -5.396 -0.789 1.00 0.00 H new ATOM 1431 N VAL B 21 8.671 -7.406 -3.787 1.00 0.00 N ATOM 1432 CA VAL B 21 7.618 -8.365 -3.526 1.00 0.00 C ATOM 1433 C VAL B 21 7.252 -9.151 -4.816 1.00 0.00 C ATOM 1434 O VAL B 21 6.795 -10.293 -4.762 1.00 0.00 O ATOM 1435 CB VAL B 21 6.354 -7.683 -2.935 1.00 0.00 C ATOM 1436 CG1 VAL B 21 6.679 -6.642 -1.897 1.00 0.00 C ATOM 1437 CG2 VAL B 21 5.421 -7.161 -3.984 1.00 0.00 C ATOM 0 H VAL B 21 8.397 -6.428 -3.692 1.00 0.00 H new ATOM 0 HA VAL B 21 7.998 -9.067 -2.784 1.00 0.00 H new ATOM 0 HB VAL B 21 5.816 -8.477 -2.417 1.00 0.00 H new ATOM 0 HG11 VAL B 21 5.755 -6.202 -1.522 1.00 0.00 H new ATOM 0 HG12 VAL B 21 7.220 -7.107 -1.073 1.00 0.00 H new ATOM 0 HG13 VAL B 21 7.297 -5.863 -2.344 1.00 0.00 H new ATOM 0 HG21 VAL B 21 4.559 -6.697 -3.506 1.00 0.00 H new ATOM 0 HG22 VAL B 21 5.938 -6.422 -4.596 1.00 0.00 H new ATOM 0 HG23 VAL B 21 5.086 -7.984 -4.615 1.00 0.00 H new ATOM 1447 N ALA B 22 7.473 -8.527 -5.964 1.00 0.00 N ATOM 1448 CA ALA B 22 7.180 -9.140 -7.236 1.00 0.00 C ATOM 1449 C ALA B 22 8.181 -10.223 -7.562 1.00 0.00 C ATOM 1450 O ALA B 22 7.793 -11.328 -7.953 1.00 0.00 O ATOM 1451 CB ALA B 22 7.122 -8.104 -8.341 1.00 0.00 C ATOM 0 H ALA B 22 7.859 -7.585 -6.032 1.00 0.00 H new ATOM 0 HA ALA B 22 6.197 -9.605 -7.161 1.00 0.00 H new ATOM 0 HB1 ALA B 22 6.899 -8.595 -9.289 1.00 0.00 H new ATOM 0 HB2 ALA B 22 6.342 -7.377 -8.117 1.00 0.00 H new ATOM 0 HB3 ALA B 22 8.083 -7.595 -8.413 1.00 0.00 H new ATOM 1457 N ARG B 23 9.473 -9.936 -7.340 1.00 0.00 N ATOM 1458 CA ARG B 23 10.541 -10.894 -7.648 1.00 0.00 C ATOM 1459 C ARG B 23 10.471 -12.113 -6.734 1.00 0.00 C ATOM 1460 O ARG B 23 11.085 -13.153 -7.010 1.00 0.00 O ATOM 1461 CB ARG B 23 11.931 -10.254 -7.603 1.00 0.00 C ATOM 1462 CG ARG B 23 12.410 -9.819 -6.228 1.00 0.00 C ATOM 1463 CD ARG B 23 13.778 -9.173 -6.320 1.00 0.00 C ATOM 1464 NE ARG B 23 14.732 -10.028 -7.043 1.00 0.00 N ATOM 1465 CZ ARG B 23 15.887 -9.614 -7.572 1.00 0.00 C ATOM 1466 NH1 ARG B 23 16.364 -8.407 -7.273 1.00 0.00 N ATOM 1467 NH2 ARG B 23 16.586 -10.430 -8.360 1.00 0.00 N ATOM 0 H ARG B 23 9.800 -9.052 -6.950 1.00 0.00 H new ATOM 0 HA ARG B 23 10.377 -11.226 -8.673 1.00 0.00 H new ATOM 0 HB2 ARG B 23 12.651 -10.963 -8.011 1.00 0.00 H new ATOM 0 HB3 ARG B 23 11.932 -9.384 -8.260 1.00 0.00 H new ATOM 0 HG2 ARG B 23 11.698 -9.116 -5.794 1.00 0.00 H new ATOM 0 HG3 ARG B 23 12.453 -10.681 -5.562 1.00 0.00 H new ATOM 0 HD2 ARG B 23 13.694 -8.211 -6.826 1.00 0.00 H new ATOM 0 HD3 ARG B 23 14.155 -8.973 -5.317 1.00 0.00 H new ATOM 0 HE ARG B 23 14.493 -11.014 -7.149 1.00 0.00 H new ATOM 0 HH11 ARG B 23 15.847 -7.797 -6.639 1.00 0.00 H new ATOM 0 HH12 ARG B 23 17.246 -8.093 -7.678 1.00 0.00 H new ATOM 0 HH21 ARG B 23 16.239 -11.368 -8.558 1.00 0.00 H new ATOM 0 HH22 ARG B 23 17.468 -10.116 -8.765 1.00 0.00 H new ATOM 1481 N HIS B 24 9.719 -11.971 -5.649 1.00 0.00 N ATOM 1482 CA HIS B 24 9.394 -13.069 -4.753 1.00 0.00 C ATOM 1483 C HIS B 24 8.697 -14.190 -5.547 1.00 0.00 C ATOM 1484 O HIS B 24 8.867 -15.384 -5.261 1.00 0.00 O ATOM 1485 CB HIS B 24 8.480 -12.548 -3.625 1.00 0.00 C ATOM 1486 CG HIS B 24 7.791 -13.618 -2.818 1.00 0.00 C ATOM 1487 ND1 HIS B 24 6.454 -13.920 -2.955 1.00 0.00 N ATOM 1488 CD2 HIS B 24 8.270 -14.461 -1.873 1.00 0.00 C ATOM 1489 CE1 HIS B 24 6.167 -14.911 -2.122 1.00 0.00 C ATOM 1490 NE2 HIS B 24 7.239 -15.285 -1.433 1.00 0.00 N ATOM 0 H HIS B 24 9.314 -11.079 -5.365 1.00 0.00 H new ATOM 0 HA HIS B 24 10.304 -13.473 -4.310 1.00 0.00 H new ATOM 0 HB2 HIS B 24 9.075 -11.932 -2.951 1.00 0.00 H new ATOM 0 HB3 HIS B 24 7.721 -11.899 -4.063 1.00 0.00 H new ATOM 0 HD2 HIS B 24 9.289 -14.489 -1.518 1.00 0.00 H new ATOM 0 HE1 HIS B 24 5.189 -15.356 -2.017 1.00 0.00 H new ATOM 0 HE2 HIS B 24 7.295 -16.021 -0.729 1.00 0.00 H new ATOM 1498 N GLY B 25 7.947 -13.794 -6.545 1.00 0.00 N ATOM 1499 CA GLY B 25 7.275 -14.740 -7.364 1.00 0.00 C ATOM 1500 C GLY B 25 5.844 -14.374 -7.600 1.00 0.00 C ATOM 1501 O GLY B 25 4.972 -15.240 -7.557 1.00 0.00 O ATOM 0 H GLY B 25 7.794 -12.819 -6.801 1.00 0.00 H new ATOM 0 HA2 GLY B 25 7.790 -14.819 -8.321 1.00 0.00 H new ATOM 0 HA3 GLY B 25 7.323 -15.723 -6.895 1.00 0.00 H new ATOM 1505 N LEU B 26 5.572 -13.106 -7.815 1.00 0.00 N ATOM 1506 CA LEU B 26 4.224 -12.697 -8.097 1.00 0.00 C ATOM 1507 C LEU B 26 3.845 -12.940 -9.517 1.00 0.00 C ATOM 1508 O LEU B 26 4.667 -12.834 -10.434 1.00 0.00 O ATOM 1509 CB LEU B 26 3.959 -11.233 -7.762 1.00 0.00 C ATOM 1510 CG LEU B 26 3.837 -10.884 -6.301 1.00 0.00 C ATOM 1511 CD1 LEU B 26 3.379 -9.452 -6.096 1.00 0.00 C ATOM 1512 CD2 LEU B 26 2.963 -11.867 -5.556 1.00 0.00 C ATOM 0 H LEU B 26 6.260 -12.353 -7.799 1.00 0.00 H new ATOM 0 HA LEU B 26 3.607 -13.317 -7.447 1.00 0.00 H new ATOM 0 HB2 LEU B 26 4.765 -10.635 -8.188 1.00 0.00 H new ATOM 0 HB3 LEU B 26 3.039 -10.931 -8.262 1.00 0.00 H new ATOM 0 HG LEU B 26 4.837 -10.961 -5.874 1.00 0.00 H new ATOM 0 HD11 LEU B 26 3.305 -9.243 -5.029 1.00 0.00 H new ATOM 0 HD12 LEU B 26 4.099 -8.771 -6.550 1.00 0.00 H new ATOM 0 HD13 LEU B 26 2.404 -9.312 -6.562 1.00 0.00 H new ATOM 0 HD21 LEU B 26 2.903 -11.578 -4.507 1.00 0.00 H new ATOM 0 HD22 LEU B 26 1.963 -11.867 -5.991 1.00 0.00 H new ATOM 0 HD23 LEU B 26 3.392 -12.866 -5.633 1.00 0.00 H new ATOM 1524 N ASP B 27 2.601 -13.275 -9.686 1.00 0.00 N ATOM 1525 CA ASP B 27 1.991 -13.398 -10.998 1.00 0.00 C ATOM 1526 C ASP B 27 1.909 -11.988 -11.555 1.00 0.00 C ATOM 1527 O ASP B 27 1.988 -11.022 -10.775 1.00 0.00 O ATOM 1528 CB ASP B 27 0.551 -13.945 -10.885 1.00 0.00 C ATOM 1529 CG ASP B 27 0.421 -15.245 -10.125 1.00 0.00 C ATOM 1530 OD1 ASP B 27 0.402 -15.223 -8.862 1.00 0.00 O ATOM 1531 OD2 ASP B 27 0.312 -16.305 -10.756 1.00 0.00 O ATOM 0 H ASP B 27 1.964 -13.475 -8.915 1.00 0.00 H new ATOM 0 HA ASP B 27 2.572 -14.075 -11.624 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -0.070 -13.193 -10.399 1.00 0.00 H new ATOM 0 HB3 ASP B 27 0.152 -14.087 -11.889 1.00 0.00 H new ATOM 1536 N HIS B 28 1.717 -11.844 -12.846 1.00 0.00 N ATOM 1537 CA HIS B 28 1.648 -10.507 -13.460 1.00 0.00 C ATOM 1538 C HIS B 28 0.538 -9.686 -12.824 1.00 0.00 C ATOM 1539 O HIS B 28 0.737 -8.522 -12.470 1.00 0.00 O ATOM 1540 CB HIS B 28 1.428 -10.579 -14.976 1.00 0.00 C ATOM 1541 CG HIS B 28 2.508 -11.286 -15.735 1.00 0.00 C ATOM 1542 ND1 HIS B 28 2.309 -12.447 -16.449 1.00 0.00 N ATOM 1543 CD2 HIS B 28 3.806 -10.954 -15.917 1.00 0.00 C ATOM 1544 CE1 HIS B 28 3.459 -12.779 -17.033 1.00 0.00 C ATOM 1545 NE2 HIS B 28 4.410 -11.903 -16.745 1.00 0.00 N ATOM 0 H HIS B 28 1.605 -12.619 -13.500 1.00 0.00 H new ATOM 0 HA HIS B 28 2.609 -10.025 -13.282 1.00 0.00 H new ATOM 0 HB2 HIS B 28 0.480 -11.082 -15.168 1.00 0.00 H new ATOM 0 HB3 HIS B 28 1.335 -9.565 -15.364 1.00 0.00 H new ATOM 0 HD2 HIS B 28 4.298 -10.092 -15.490 1.00 0.00 H new ATOM 0 HE1 HIS B 28 3.598 -13.648 -17.659 1.00 0.00 H new ATOM 0 HE2 HIS B 28 5.380 -11.918 -17.061 1.00 0.00 H new ATOM 1553 N ASP B 29 -0.610 -10.329 -12.613 1.00 0.00 N ATOM 1554 CA ASP B 29 -1.766 -9.673 -12.001 1.00 0.00 C ATOM 1555 C ASP B 29 -1.462 -9.261 -10.591 1.00 0.00 C ATOM 1556 O ASP B 29 -1.894 -8.223 -10.146 1.00 0.00 O ATOM 1557 CB ASP B 29 -3.010 -10.567 -11.969 1.00 0.00 C ATOM 1558 CG ASP B 29 -3.563 -10.920 -13.315 1.00 0.00 C ATOM 1559 OD1 ASP B 29 -4.234 -10.072 -13.947 1.00 0.00 O ATOM 1560 OD2 ASP B 29 -3.366 -12.066 -13.762 1.00 0.00 O ATOM 0 H ASP B 29 -0.765 -11.307 -12.858 1.00 0.00 H new ATOM 0 HA ASP B 29 -1.974 -8.803 -12.624 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -2.765 -11.488 -11.439 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -3.787 -10.064 -11.393 1.00 0.00 H new ATOM 1565 N LYS B 30 -0.683 -10.071 -9.904 1.00 0.00 N ATOM 1566 CA LYS B 30 -0.340 -9.822 -8.512 1.00 0.00 C ATOM 1567 C LYS B 30 0.426 -8.524 -8.375 1.00 0.00 C ATOM 1568 O LYS B 30 0.112 -7.712 -7.526 1.00 0.00 O ATOM 1569 CB LYS B 30 0.470 -10.983 -7.956 1.00 0.00 C ATOM 1570 CG LYS B 30 -0.296 -12.288 -7.859 1.00 0.00 C ATOM 1571 CD LYS B 30 -1.334 -12.305 -6.756 1.00 0.00 C ATOM 1572 CE LYS B 30 -2.126 -13.614 -6.782 1.00 0.00 C ATOM 1573 NZ LYS B 30 -1.254 -14.817 -6.726 1.00 0.00 N ATOM 0 H LYS B 30 -0.269 -10.919 -10.290 1.00 0.00 H new ATOM 0 HA LYS B 30 -1.262 -9.734 -7.937 1.00 0.00 H new ATOM 0 HB2 LYS B 30 1.346 -11.135 -8.587 1.00 0.00 H new ATOM 0 HB3 LYS B 30 0.835 -10.715 -6.964 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -0.788 -12.482 -8.812 1.00 0.00 H new ATOM 0 HG3 LYS B 30 0.410 -13.102 -7.694 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -0.846 -12.188 -5.788 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -2.013 -11.461 -6.875 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -2.817 -13.632 -5.939 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -2.729 -13.650 -7.689 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -1.794 -15.620 -6.345 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -0.919 -15.048 -7.683 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -0.438 -14.626 -6.110 1.00 0.00 H new ATOM 1587 N VAL B 31 1.392 -8.319 -9.252 1.00 0.00 N ATOM 1588 CA VAL B 31 2.203 -7.106 -9.243 1.00 0.00 C ATOM 1589 C VAL B 31 1.313 -5.895 -9.530 1.00 0.00 C ATOM 1590 O VAL B 31 1.389 -4.866 -8.850 1.00 0.00 O ATOM 1591 CB VAL B 31 3.321 -7.168 -10.320 1.00 0.00 C ATOM 1592 CG1 VAL B 31 4.296 -6.004 -10.189 1.00 0.00 C ATOM 1593 CG2 VAL B 31 4.044 -8.499 -10.281 1.00 0.00 C ATOM 0 H VAL B 31 1.639 -8.981 -9.988 1.00 0.00 H new ATOM 0 HA VAL B 31 2.666 -7.018 -8.260 1.00 0.00 H new ATOM 0 HB VAL B 31 2.840 -7.078 -11.294 1.00 0.00 H new ATOM 0 HG11 VAL B 31 5.063 -6.083 -10.960 1.00 0.00 H new ATOM 0 HG12 VAL B 31 3.758 -5.064 -10.308 1.00 0.00 H new ATOM 0 HG13 VAL B 31 4.766 -6.032 -9.206 1.00 0.00 H new ATOM 0 HG21 VAL B 31 4.821 -8.514 -11.046 1.00 0.00 H new ATOM 0 HG22 VAL B 31 4.498 -8.638 -9.300 1.00 0.00 H new ATOM 0 HG23 VAL B 31 3.334 -9.304 -10.470 1.00 0.00 H new ATOM 1603 N LEU B 32 0.441 -6.053 -10.505 1.00 0.00 N ATOM 1604 CA LEU B 32 -0.461 -4.996 -10.932 1.00 0.00 C ATOM 1605 C LEU B 32 -1.479 -4.652 -9.851 1.00 0.00 C ATOM 1606 O LEU B 32 -1.693 -3.481 -9.541 1.00 0.00 O ATOM 1607 CB LEU B 32 -1.160 -5.394 -12.229 1.00 0.00 C ATOM 1608 CG LEU B 32 -0.230 -5.706 -13.407 1.00 0.00 C ATOM 1609 CD1 LEU B 32 -1.023 -6.096 -14.623 1.00 0.00 C ATOM 1610 CD2 LEU B 32 0.682 -4.530 -13.716 1.00 0.00 C ATOM 0 H LEU B 32 0.335 -6.922 -11.028 1.00 0.00 H new ATOM 0 HA LEU B 32 0.133 -4.100 -11.112 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -1.779 -6.270 -12.035 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -1.832 -4.588 -12.522 1.00 0.00 H new ATOM 0 HG LEU B 32 0.398 -6.550 -13.120 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -0.343 -6.313 -15.447 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -1.618 -6.982 -14.401 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -1.684 -5.276 -14.905 1.00 0.00 H new ATOM 0 HD21 LEU B 32 1.329 -4.782 -14.556 1.00 0.00 H new ATOM 0 HD22 LEU B 32 0.079 -3.659 -13.972 1.00 0.00 H new ATOM 0 HD23 LEU B 32 1.293 -4.304 -12.842 1.00 0.00 H new ATOM 1622 N LEU B 33 -2.079 -5.664 -9.261 1.00 0.00 N ATOM 1623 CA LEU B 33 -3.062 -5.457 -8.217 1.00 0.00 C ATOM 1624 C LEU B 33 -2.415 -4.893 -6.967 1.00 0.00 C ATOM 1625 O LEU B 33 -2.979 -4.005 -6.326 1.00 0.00 O ATOM 1626 CB LEU B 33 -3.813 -6.746 -7.890 1.00 0.00 C ATOM 1627 CG LEU B 33 -4.641 -7.358 -9.026 1.00 0.00 C ATOM 1628 CD1 LEU B 33 -5.272 -8.664 -8.573 1.00 0.00 C ATOM 1629 CD2 LEU B 33 -5.710 -6.381 -9.502 1.00 0.00 C ATOM 0 H LEU B 33 -1.903 -6.643 -9.487 1.00 0.00 H new ATOM 0 HA LEU B 33 -3.785 -4.732 -8.592 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -3.088 -7.489 -7.557 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -4.478 -6.550 -7.049 1.00 0.00 H new ATOM 0 HG LEU B 33 -3.976 -7.566 -9.864 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -5.857 -9.088 -9.389 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -4.489 -9.366 -8.285 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -5.923 -8.477 -7.719 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -6.286 -6.836 -10.308 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -6.375 -6.138 -8.674 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -5.234 -5.470 -9.865 1.00 0.00 H new ATOM 1641 N PHE B 34 -1.235 -5.388 -6.638 1.00 0.00 N ATOM 1642 CA PHE B 34 -0.513 -4.915 -5.475 1.00 0.00 C ATOM 1643 C PHE B 34 -0.129 -3.457 -5.638 1.00 0.00 C ATOM 1644 O PHE B 34 -0.434 -2.648 -4.779 1.00 0.00 O ATOM 1645 CB PHE B 34 0.732 -5.776 -5.199 1.00 0.00 C ATOM 1646 CG PHE B 34 1.583 -5.278 -4.064 1.00 0.00 C ATOM 1647 CD1 PHE B 34 1.187 -5.457 -2.752 1.00 0.00 C ATOM 1648 CD2 PHE B 34 2.773 -4.618 -4.315 1.00 0.00 C ATOM 1649 CE1 PHE B 34 1.964 -4.992 -1.715 1.00 0.00 C ATOM 1650 CE2 PHE B 34 3.553 -4.154 -3.282 1.00 0.00 C ATOM 1651 CZ PHE B 34 3.148 -4.336 -1.982 1.00 0.00 C ATOM 0 H PHE B 34 -0.757 -6.120 -7.163 1.00 0.00 H new ATOM 0 HA PHE B 34 -1.176 -5.004 -4.615 1.00 0.00 H new ATOM 0 HB2 PHE B 34 0.414 -6.796 -4.981 1.00 0.00 H new ATOM 0 HB3 PHE B 34 1.339 -5.818 -6.103 1.00 0.00 H new ATOM 0 HD1 PHE B 34 0.259 -5.967 -2.538 1.00 0.00 H new ATOM 0 HD2 PHE B 34 3.093 -4.465 -5.335 1.00 0.00 H new ATOM 0 HE1 PHE B 34 1.647 -5.141 -0.693 1.00 0.00 H new ATOM 0 HE2 PHE B 34 4.483 -3.647 -3.492 1.00 0.00 H new ATOM 0 HZ PHE B 34 3.756 -3.966 -1.170 1.00 0.00 H new ATOM 1661 N SER B 35 0.492 -3.128 -6.762 1.00 0.00 N ATOM 1662 CA SER B 35 0.974 -1.782 -7.006 1.00 0.00 C ATOM 1663 C SER B 35 -0.136 -0.732 -6.920 1.00 0.00 C ATOM 1664 O SER B 35 0.031 0.290 -6.264 1.00 0.00 O ATOM 1665 CB SER B 35 1.724 -1.712 -8.343 1.00 0.00 C ATOM 1666 OG SER B 35 0.949 -2.241 -9.404 1.00 0.00 O ATOM 0 H SER B 35 0.673 -3.783 -7.523 1.00 0.00 H new ATOM 0 HA SER B 35 1.676 -1.540 -6.208 1.00 0.00 H new ATOM 0 HB2 SER B 35 1.983 -0.676 -8.562 1.00 0.00 H new ATOM 0 HB3 SER B 35 2.660 -2.265 -8.265 1.00 0.00 H new ATOM 0 HG SER B 35 1.059 -3.214 -9.436 1.00 0.00 H new ATOM 1672 N ARG B 36 -1.276 -1.015 -7.532 1.00 0.00 N ATOM 1673 CA ARG B 36 -2.380 -0.069 -7.540 1.00 0.00 C ATOM 1674 C ARG B 36 -3.078 0.030 -6.175 1.00 0.00 C ATOM 1675 O ARG B 36 -3.566 1.102 -5.803 1.00 0.00 O ATOM 1676 CB ARG B 36 -3.375 -0.384 -8.667 1.00 0.00 C ATOM 1677 CG ARG B 36 -4.075 -1.723 -8.544 1.00 0.00 C ATOM 1678 CD ARG B 36 -4.839 -2.069 -9.808 1.00 0.00 C ATOM 1679 NE ARG B 36 -5.870 -1.075 -10.132 1.00 0.00 N ATOM 1680 CZ ARG B 36 -6.617 -1.073 -11.247 1.00 0.00 C ATOM 1681 NH1 ARG B 36 -6.439 -2.006 -12.192 1.00 0.00 N ATOM 1682 NH2 ARG B 36 -7.532 -0.134 -11.414 1.00 0.00 N ATOM 0 H ARG B 36 -1.460 -1.888 -8.027 1.00 0.00 H new ATOM 0 HA ARG B 36 -1.954 0.914 -7.739 1.00 0.00 H new ATOM 0 HB2 ARG B 36 -4.129 0.403 -8.697 1.00 0.00 H new ATOM 0 HB3 ARG B 36 -2.845 -0.353 -9.619 1.00 0.00 H new ATOM 0 HG2 ARG B 36 -3.340 -2.501 -8.337 1.00 0.00 H new ATOM 0 HG3 ARG B 36 -4.761 -1.700 -7.698 1.00 0.00 H new ATOM 0 HD2 ARG B 36 -4.140 -2.148 -10.641 1.00 0.00 H new ATOM 0 HD3 ARG B 36 -5.306 -3.047 -9.690 1.00 0.00 H new ATOM 0 HE ARG B 36 -6.031 -0.328 -9.457 1.00 0.00 H new ATOM 0 HH11 ARG B 36 -5.730 -2.728 -12.068 1.00 0.00 H new ATOM 0 HH12 ARG B 36 -7.013 -1.994 -13.035 1.00 0.00 H new ATOM 0 HH21 ARG B 36 -7.666 0.581 -10.699 1.00 0.00 H new ATOM 0 HH22 ARG B 36 -8.105 -0.124 -12.258 1.00 0.00 H new ATOM 1696 N ASP B 37 -3.103 -1.068 -5.417 1.00 0.00 N ATOM 1697 CA ASP B 37 -3.756 -1.054 -4.094 1.00 0.00 C ATOM 1698 C ASP B 37 -2.842 -0.346 -3.115 1.00 0.00 C ATOM 1699 O ASP B 37 -3.279 0.458 -2.301 1.00 0.00 O ATOM 1700 CB ASP B 37 -4.045 -2.477 -3.605 1.00 0.00 C ATOM 1701 CG ASP B 37 -5.021 -2.528 -2.437 1.00 0.00 C ATOM 1702 OD1 ASP B 37 -4.615 -2.424 -1.269 1.00 0.00 O ATOM 1703 OD2 ASP B 37 -6.244 -2.702 -2.688 1.00 0.00 O ATOM 0 H ASP B 37 -2.691 -1.962 -5.683 1.00 0.00 H new ATOM 0 HA ASP B 37 -4.709 -0.531 -4.170 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -4.448 -3.063 -4.431 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -3.108 -2.948 -3.307 1.00 0.00 H new ATOM 1708 N LEU B 38 -1.559 -0.636 -3.241 1.00 0.00 N ATOM 1709 CA LEU B 38 -0.516 0.016 -2.473 1.00 0.00 C ATOM 1710 C LEU B 38 -0.539 1.504 -2.746 1.00 0.00 C ATOM 1711 O LEU B 38 -0.521 2.315 -1.826 1.00 0.00 O ATOM 1712 CB LEU B 38 0.853 -0.587 -2.855 1.00 0.00 C ATOM 1713 CG LEU B 38 2.114 0.160 -2.409 1.00 0.00 C ATOM 1714 CD1 LEU B 38 2.155 0.350 -0.918 1.00 0.00 C ATOM 1715 CD2 LEU B 38 3.346 -0.585 -2.866 1.00 0.00 C ATOM 0 H LEU B 38 -1.209 -1.341 -3.889 1.00 0.00 H new ATOM 0 HA LEU B 38 -0.685 -0.143 -1.408 1.00 0.00 H new ATOM 0 HB2 LEU B 38 0.900 -1.596 -2.446 1.00 0.00 H new ATOM 0 HB3 LEU B 38 0.886 -0.681 -3.940 1.00 0.00 H new ATOM 0 HG LEU B 38 2.091 1.148 -2.869 1.00 0.00 H new ATOM 0 HD11 LEU B 38 3.065 0.884 -0.644 1.00 0.00 H new ATOM 0 HD12 LEU B 38 1.286 0.927 -0.601 1.00 0.00 H new ATOM 0 HD13 LEU B 38 2.143 -0.623 -0.427 1.00 0.00 H new ATOM 0 HD21 LEU B 38 4.237 -0.046 -2.544 1.00 0.00 H new ATOM 0 HD22 LEU B 38 3.349 -1.584 -2.431 1.00 0.00 H new ATOM 0 HD23 LEU B 38 3.342 -0.663 -3.953 1.00 0.00 H new ATOM 1727 N ASP B 39 -0.620 1.846 -4.010 1.00 0.00 N ATOM 1728 CA ASP B 39 -0.646 3.227 -4.435 1.00 0.00 C ATOM 1729 C ASP B 39 -1.831 3.968 -3.839 1.00 0.00 C ATOM 1730 O ASP B 39 -1.677 5.064 -3.302 1.00 0.00 O ATOM 1731 CB ASP B 39 -0.683 3.324 -5.952 1.00 0.00 C ATOM 1732 CG ASP B 39 -0.649 4.743 -6.434 1.00 0.00 C ATOM 1733 OD1 ASP B 39 0.413 5.361 -6.364 1.00 0.00 O ATOM 1734 OD2 ASP B 39 -1.682 5.258 -6.910 1.00 0.00 O ATOM 0 H ASP B 39 -0.670 1.173 -4.775 1.00 0.00 H new ATOM 0 HA ASP B 39 0.268 3.697 -4.073 1.00 0.00 H new ATOM 0 HB2 ASP B 39 0.165 2.781 -6.369 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -1.586 2.839 -6.323 1.00 0.00 H new ATOM 1739 N LYS B 40 -2.996 3.351 -3.876 1.00 0.00 N ATOM 1740 CA LYS B 40 -4.194 3.998 -3.375 1.00 0.00 C ATOM 1741 C LYS B 40 -4.144 4.143 -1.856 1.00 0.00 C ATOM 1742 O LYS B 40 -4.656 5.119 -1.298 1.00 0.00 O ATOM 1743 CB LYS B 40 -5.459 3.259 -3.807 1.00 0.00 C ATOM 1744 CG LYS B 40 -5.823 2.026 -3.008 1.00 0.00 C ATOM 1745 CD LYS B 40 -7.090 1.386 -3.525 1.00 0.00 C ATOM 1746 CE LYS B 40 -7.501 0.231 -2.646 1.00 0.00 C ATOM 1747 NZ LYS B 40 -8.706 -0.450 -3.145 1.00 0.00 N ATOM 0 H LYS B 40 -3.139 2.411 -4.244 1.00 0.00 H new ATOM 0 HA LYS B 40 -4.230 4.995 -3.813 1.00 0.00 H new ATOM 0 HB2 LYS B 40 -6.295 3.956 -3.759 1.00 0.00 H new ATOM 0 HB3 LYS B 40 -5.345 2.968 -4.851 1.00 0.00 H new ATOM 0 HG2 LYS B 40 -5.005 1.307 -3.054 1.00 0.00 H new ATOM 0 HG3 LYS B 40 -5.952 2.295 -1.960 1.00 0.00 H new ATOM 0 HD2 LYS B 40 -7.890 2.126 -3.559 1.00 0.00 H new ATOM 0 HD3 LYS B 40 -6.936 1.036 -4.546 1.00 0.00 H new ATOM 0 HE2 LYS B 40 -6.681 -0.485 -2.584 1.00 0.00 H new ATOM 0 HE3 LYS B 40 -7.684 0.594 -1.635 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 -8.949 -1.236 -2.509 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 -9.497 0.225 -3.180 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 -8.525 -0.821 -4.100 1.00 0.00 H new ATOM 1761 N LEU B 41 -3.519 3.178 -1.202 1.00 0.00 N ATOM 1762 CA LEU B 41 -3.340 3.202 0.234 1.00 0.00 C ATOM 1763 C LEU B 41 -2.427 4.347 0.606 1.00 0.00 C ATOM 1764 O LEU B 41 -2.652 5.049 1.594 1.00 0.00 O ATOM 1765 CB LEU B 41 -2.748 1.875 0.714 1.00 0.00 C ATOM 1766 CG LEU B 41 -2.424 1.772 2.210 1.00 0.00 C ATOM 1767 CD1 LEU B 41 -3.669 1.955 3.064 1.00 0.00 C ATOM 1768 CD2 LEU B 41 -1.746 0.451 2.513 1.00 0.00 C ATOM 0 H LEU B 41 -3.122 2.356 -1.656 1.00 0.00 H new ATOM 0 HA LEU B 41 -4.307 3.342 0.716 1.00 0.00 H new ATOM 0 HB2 LEU B 41 -3.447 1.078 0.461 1.00 0.00 H new ATOM 0 HB3 LEU B 41 -1.833 1.687 0.153 1.00 0.00 H new ATOM 0 HG LEU B 41 -1.737 2.579 2.462 1.00 0.00 H new ATOM 0 HD11 LEU B 41 -3.402 1.876 4.118 1.00 0.00 H new ATOM 0 HD12 LEU B 41 -4.101 2.937 2.872 1.00 0.00 H new ATOM 0 HD13 LEU B 41 -4.397 1.183 2.815 1.00 0.00 H new ATOM 0 HD21 LEU B 41 -1.522 0.393 3.578 1.00 0.00 H new ATOM 0 HD22 LEU B 41 -2.408 -0.370 2.236 1.00 0.00 H new ATOM 0 HD23 LEU B 41 -0.820 0.378 1.943 1.00 0.00 H new ATOM 1780 N ILE B 42 -1.444 4.567 -0.225 1.00 0.00 N ATOM 1781 CA ILE B 42 -0.495 5.632 0.000 1.00 0.00 C ATOM 1782 C ILE B 42 -1.187 6.961 -0.181 1.00 0.00 C ATOM 1783 O ILE B 42 -1.213 7.764 0.733 1.00 0.00 O ATOM 1784 CB ILE B 42 0.769 5.496 -0.903 1.00 0.00 C ATOM 1785 CG1 ILE B 42 1.565 4.264 -0.474 1.00 0.00 C ATOM 1786 CG2 ILE B 42 1.643 6.744 -0.845 1.00 0.00 C ATOM 1787 CD1 ILE B 42 2.833 4.028 -1.253 1.00 0.00 C ATOM 0 H ILE B 42 -1.276 4.021 -1.070 1.00 0.00 H new ATOM 0 HA ILE B 42 -0.129 5.565 1.025 1.00 0.00 H new ATOM 0 HB ILE B 42 0.443 5.381 -1.937 1.00 0.00 H new ATOM 0 HG12 ILE B 42 1.817 4.361 0.582 1.00 0.00 H new ATOM 0 HG13 ILE B 42 0.927 3.385 -0.570 1.00 0.00 H new ATOM 0 HG21 ILE B 42 2.513 6.609 -1.488 1.00 0.00 H new ATOM 0 HG22 ILE B 42 1.070 7.606 -1.187 1.00 0.00 H new ATOM 0 HG23 ILE B 42 1.972 6.911 0.181 1.00 0.00 H new ATOM 0 HD11 ILE B 42 3.329 3.133 -0.878 1.00 0.00 H new ATOM 0 HD12 ILE B 42 2.593 3.895 -2.308 1.00 0.00 H new ATOM 0 HD13 ILE B 42 3.496 4.886 -1.138 1.00 0.00 H new ATOM 1799 N ASN B 43 -1.821 7.132 -1.326 1.00 0.00 N ATOM 1800 CA ASN B 43 -2.601 8.343 -1.655 1.00 0.00 C ATOM 1801 C ASN B 43 -3.606 8.682 -0.573 1.00 0.00 C ATOM 1802 O ASN B 43 -3.798 9.855 -0.251 1.00 0.00 O ATOM 1803 CB ASN B 43 -3.328 8.201 -2.997 1.00 0.00 C ATOM 1804 CG ASN B 43 -2.433 8.412 -4.199 1.00 0.00 C ATOM 1805 OD1 ASN B 43 -2.313 9.517 -4.700 1.00 0.00 O ATOM 1806 ND2 ASN B 43 -1.799 7.380 -4.672 1.00 0.00 N ATOM 0 H ASN B 43 -1.818 6.436 -2.071 1.00 0.00 H new ATOM 0 HA ASN B 43 -1.880 9.157 -1.727 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -3.772 7.207 -3.056 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -4.147 8.919 -3.034 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -1.185 7.485 -5.480 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -1.916 6.466 -4.235 1.00 0.00 H new ATOM 1813 N LYS B 44 -4.217 7.651 0.001 1.00 0.00 N ATOM 1814 CA LYS B 44 -5.160 7.799 1.100 1.00 0.00 C ATOM 1815 C LYS B 44 -4.507 8.554 2.245 1.00 0.00 C ATOM 1816 O LYS B 44 -4.982 9.607 2.671 1.00 0.00 O ATOM 1817 CB LYS B 44 -5.592 6.421 1.606 1.00 0.00 C ATOM 1818 CG LYS B 44 -6.554 6.465 2.785 1.00 0.00 C ATOM 1819 CD LYS B 44 -6.813 5.081 3.370 1.00 0.00 C ATOM 1820 CE LYS B 44 -7.396 4.130 2.345 1.00 0.00 C ATOM 1821 NZ LYS B 44 -7.765 2.838 2.948 1.00 0.00 N ATOM 0 H LYS B 44 -4.070 6.683 -0.286 1.00 0.00 H new ATOM 0 HA LYS B 44 -6.029 8.351 0.740 1.00 0.00 H new ATOM 0 HB2 LYS B 44 -6.062 5.876 0.787 1.00 0.00 H new ATOM 0 HB3 LYS B 44 -4.705 5.858 1.896 1.00 0.00 H new ATOM 0 HG2 LYS B 44 -6.147 7.115 3.560 1.00 0.00 H new ATOM 0 HG3 LYS B 44 -7.499 6.905 2.465 1.00 0.00 H new ATOM 0 HD2 LYS B 44 -5.880 4.670 3.756 1.00 0.00 H new ATOM 0 HD3 LYS B 44 -7.497 5.167 4.215 1.00 0.00 H new ATOM 0 HE2 LYS B 44 -8.276 4.583 1.888 1.00 0.00 H new ATOM 0 HE3 LYS B 44 -6.671 3.966 1.548 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 -8.160 2.214 2.216 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 -6.920 2.394 3.362 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 -8.475 2.992 3.692 1.00 0.00 H new ATOM 1835 N PHE B 45 -3.394 8.033 2.704 1.00 0.00 N ATOM 1836 CA PHE B 45 -2.695 8.606 3.822 1.00 0.00 C ATOM 1837 C PHE B 45 -1.974 9.893 3.463 1.00 0.00 C ATOM 1838 O PHE B 45 -1.775 10.753 4.315 1.00 0.00 O ATOM 1839 CB PHE B 45 -1.772 7.584 4.471 1.00 0.00 C ATOM 1840 CG PHE B 45 -2.523 6.601 5.322 1.00 0.00 C ATOM 1841 CD1 PHE B 45 -3.095 5.461 4.777 1.00 0.00 C ATOM 1842 CD2 PHE B 45 -2.666 6.830 6.677 1.00 0.00 C ATOM 1843 CE1 PHE B 45 -3.793 4.576 5.570 1.00 0.00 C ATOM 1844 CE2 PHE B 45 -3.361 5.948 7.470 1.00 0.00 C ATOM 1845 CZ PHE B 45 -3.924 4.818 6.915 1.00 0.00 C ATOM 0 H PHE B 45 -2.951 7.202 2.312 1.00 0.00 H new ATOM 0 HA PHE B 45 -3.444 8.886 4.562 1.00 0.00 H new ATOM 0 HB2 PHE B 45 -1.225 7.047 3.696 1.00 0.00 H new ATOM 0 HB3 PHE B 45 -1.033 8.101 5.083 1.00 0.00 H new ATOM 0 HD1 PHE B 45 -2.992 5.265 3.720 1.00 0.00 H new ATOM 0 HD2 PHE B 45 -2.227 7.712 7.118 1.00 0.00 H new ATOM 0 HE1 PHE B 45 -4.236 3.693 5.134 1.00 0.00 H new ATOM 0 HE2 PHE B 45 -3.466 6.140 8.528 1.00 0.00 H new ATOM 0 HZ PHE B 45 -4.468 4.124 7.538 1.00 0.00 H new ATOM 1855 N MET B 46 -1.642 10.052 2.192 1.00 0.00 N ATOM 1856 CA MET B 46 -0.970 11.261 1.719 1.00 0.00 C ATOM 1857 C MET B 46 -1.969 12.396 1.517 1.00 0.00 C ATOM 1858 O MET B 46 -1.597 13.495 1.091 1.00 0.00 O ATOM 1859 CB MET B 46 -0.233 11.038 0.403 1.00 0.00 C ATOM 1860 CG MET B 46 0.787 9.931 0.423 1.00 0.00 C ATOM 1861 SD MET B 46 2.146 10.234 -0.698 1.00 0.00 S ATOM 1862 CE MET B 46 2.899 11.614 0.150 1.00 0.00 C ATOM 0 H MET B 46 -1.825 9.360 1.465 1.00 0.00 H new ATOM 0 HA MET B 46 -0.246 11.524 2.490 1.00 0.00 H new ATOM 0 HB2 MET B 46 -0.966 10.822 -0.374 1.00 0.00 H new ATOM 0 HB3 MET B 46 0.266 11.966 0.122 1.00 0.00 H new ATOM 0 HG2 MET B 46 1.174 9.816 1.435 1.00 0.00 H new ATOM 0 HG3 MET B 46 0.304 8.991 0.158 1.00 0.00 H new ATOM 0 HE1 MET B 46 3.859 11.845 -0.312 1.00 0.00 H new ATOM 0 HE2 MET B 46 2.245 12.483 0.083 1.00 0.00 H new ATOM 0 HE3 MET B 46 3.054 11.357 1.198 1.00 0.00 H new ATOM 1872 N ASN B 47 -3.249 12.097 1.770 1.00 0.00 N ATOM 1873 CA ASN B 47 -4.359 13.063 1.687 1.00 0.00 C ATOM 1874 C ASN B 47 -4.585 13.475 0.216 1.00 0.00 C ATOM 1875 O ASN B 47 -5.035 14.581 -0.103 1.00 0.00 O ATOM 1876 CB ASN B 47 -4.086 14.288 2.618 1.00 0.00 C ATOM 1877 CG ASN B 47 -5.309 15.163 2.884 1.00 0.00 C ATOM 1878 OD1 ASN B 47 -6.079 14.898 3.805 1.00 0.00 O ATOM 1879 ND2 ASN B 47 -5.474 16.216 2.139 1.00 0.00 N ATOM 0 H ASN B 47 -3.551 11.162 2.043 1.00 0.00 H new ATOM 0 HA ASN B 47 -5.279 12.598 2.041 1.00 0.00 H new ATOM 0 HB2 ASN B 47 -3.699 13.926 3.571 1.00 0.00 H new ATOM 0 HB3 ASN B 47 -3.305 14.903 2.170 1.00 0.00 H new ATOM 0 HD21 ASN B 47 -6.257 16.846 2.312 1.00 0.00 H new ATOM 0 HD22 ASN B 47 -4.820 16.412 1.381 1.00 0.00 H new ATOM 1886 N VAL B 48 -4.323 12.553 -0.677 1.00 0.00 N ATOM 1887 CA VAL B 48 -4.509 12.793 -2.082 1.00 0.00 C ATOM 1888 C VAL B 48 -5.859 12.284 -2.474 1.00 0.00 C ATOM 1889 O VAL B 48 -6.122 11.079 -2.493 1.00 0.00 O ATOM 1890 CB VAL B 48 -3.434 12.138 -2.971 1.00 0.00 C ATOM 1891 CG1 VAL B 48 -3.646 12.511 -4.444 1.00 0.00 C ATOM 1892 CG2 VAL B 48 -2.032 12.524 -2.520 1.00 0.00 C ATOM 0 H VAL B 48 -3.977 11.621 -0.450 1.00 0.00 H new ATOM 0 HA VAL B 48 -4.421 13.868 -2.241 1.00 0.00 H new ATOM 0 HB VAL B 48 -3.534 11.057 -2.869 1.00 0.00 H new ATOM 0 HG11 VAL B 48 -2.876 12.038 -5.054 1.00 0.00 H new ATOM 0 HG12 VAL B 48 -4.628 12.167 -4.769 1.00 0.00 H new ATOM 0 HG13 VAL B 48 -3.585 13.593 -4.558 1.00 0.00 H new ATOM 0 HG21 VAL B 48 -1.297 12.046 -3.167 1.00 0.00 H new ATOM 0 HG22 VAL B 48 -1.916 13.606 -2.577 1.00 0.00 H new ATOM 0 HG23 VAL B 48 -1.878 12.197 -1.492 1.00 0.00 H new ATOM 1902 N LYS B 49 -6.704 13.202 -2.727 1.00 0.00 N ATOM 1903 CA LYS B 49 -8.063 12.948 -3.101 1.00 0.00 C ATOM 1904 C LYS B 49 -8.418 13.849 -4.264 1.00 0.00 C ATOM 1905 O LYS B 49 -9.584 14.144 -4.537 1.00 0.00 O ATOM 1906 CB LYS B 49 -8.963 13.196 -1.889 1.00 0.00 C ATOM 1907 CG LYS B 49 -8.627 14.482 -1.142 1.00 0.00 C ATOM 1908 CD LYS B 49 -9.542 14.713 0.054 1.00 0.00 C ATOM 1909 CE LYS B 49 -9.413 13.609 1.101 1.00 0.00 C ATOM 1910 NZ LYS B 49 -10.269 13.860 2.279 1.00 0.00 N ATOM 0 H LYS B 49 -6.474 14.195 -2.682 1.00 0.00 H new ATOM 0 HA LYS B 49 -8.202 11.914 -3.416 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -10.001 13.236 -2.218 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -8.878 12.353 -1.203 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -7.592 14.442 -0.802 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -8.706 15.327 -1.825 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -9.305 15.674 0.511 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -10.576 14.769 -0.287 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -9.683 12.652 0.654 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -8.373 13.530 1.419 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -10.151 13.087 2.965 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -9.995 14.760 2.722 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -11.264 13.909 1.981 1.00 0.00 H new ATOM 1924 N ASP B 50 -7.392 14.265 -4.965 1.00 0.00 N ATOM 1925 CA ASP B 50 -7.543 15.125 -6.109 1.00 0.00 C ATOM 1926 C ASP B 50 -7.812 14.281 -7.321 1.00 0.00 C ATOM 1927 O ASP B 50 -6.897 13.745 -7.949 1.00 0.00 O ATOM 1928 CB ASP B 50 -6.310 16.019 -6.321 1.00 0.00 C ATOM 1929 CG ASP B 50 -6.112 17.023 -5.208 1.00 0.00 C ATOM 1930 OD1 ASP B 50 -6.688 18.127 -5.280 1.00 0.00 O ATOM 1931 OD2 ASP B 50 -5.362 16.733 -4.237 1.00 0.00 O ATOM 0 H ASP B 50 -6.426 14.015 -4.756 1.00 0.00 H new ATOM 0 HA ASP B 50 -8.385 15.795 -5.935 1.00 0.00 H new ATOM 0 HB2 ASP B 50 -5.422 15.392 -6.400 1.00 0.00 H new ATOM 0 HB3 ASP B 50 -6.411 16.549 -7.268 1.00 0.00 H new ATOM 1936 N LYS B 51 -9.081 14.118 -7.619 1.00 0.00 N ATOM 1937 CA LYS B 51 -9.540 13.266 -8.722 1.00 0.00 C ATOM 1938 C LYS B 51 -9.460 13.973 -10.061 1.00 0.00 C ATOM 1939 O LYS B 51 -9.845 13.428 -11.090 1.00 0.00 O ATOM 1940 CB LYS B 51 -10.978 12.800 -8.471 1.00 0.00 C ATOM 1941 CG LYS B 51 -11.980 13.953 -8.373 1.00 0.00 C ATOM 1942 CD LYS B 51 -13.436 13.507 -8.163 1.00 0.00 C ATOM 1943 CE LYS B 51 -14.111 12.894 -9.417 1.00 0.00 C ATOM 1944 NZ LYS B 51 -13.599 11.553 -9.819 1.00 0.00 N ATOM 0 H LYS B 51 -9.838 14.571 -7.107 1.00 0.00 H new ATOM 0 HA LYS B 51 -8.875 12.403 -8.760 1.00 0.00 H new ATOM 0 HB2 LYS B 51 -11.282 12.131 -9.277 1.00 0.00 H new ATOM 0 HB3 LYS B 51 -11.009 12.221 -7.548 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -11.689 14.603 -7.548 1.00 0.00 H new ATOM 0 HG3 LYS B 51 -11.922 14.548 -9.284 1.00 0.00 H new ATOM 0 HD2 LYS B 51 -13.465 12.774 -7.356 1.00 0.00 H new ATOM 0 HD3 LYS B 51 -14.021 14.366 -7.835 1.00 0.00 H new ATOM 0 HE2 LYS B 51 -15.182 12.816 -9.232 1.00 0.00 H new ATOM 0 HE3 LYS B 51 -13.981 13.581 -10.253 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -14.392 10.960 -10.137 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -12.914 11.661 -10.594 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -13.133 11.101 -9.006 1.00 0.00 H new ATOM 1958 N VAL B 52 -8.947 15.145 -10.037 1.00 0.00 N ATOM 1959 CA VAL B 52 -8.886 15.972 -11.210 1.00 0.00 C ATOM 1960 C VAL B 52 -7.623 15.729 -12.030 1.00 0.00 C ATOM 1961 O VAL B 52 -6.540 16.216 -11.708 1.00 0.00 O ATOM 1962 CB VAL B 52 -9.092 17.492 -10.895 1.00 0.00 C ATOM 1963 CG1 VAL B 52 -10.539 17.755 -10.496 1.00 0.00 C ATOM 1964 CG2 VAL B 52 -8.161 17.966 -9.774 1.00 0.00 C ATOM 0 H VAL B 52 -8.550 15.574 -9.201 1.00 0.00 H new ATOM 0 HA VAL B 52 -9.730 15.668 -11.829 1.00 0.00 H new ATOM 0 HB VAL B 52 -8.852 18.050 -11.800 1.00 0.00 H new ATOM 0 HG11 VAL B 52 -10.670 18.815 -10.279 1.00 0.00 H new ATOM 0 HG12 VAL B 52 -11.200 17.467 -11.314 1.00 0.00 H new ATOM 0 HG13 VAL B 52 -10.784 17.171 -9.609 1.00 0.00 H new ATOM 0 HG21 VAL B 52 -8.332 19.025 -9.583 1.00 0.00 H new ATOM 0 HG22 VAL B 52 -8.364 17.396 -8.867 1.00 0.00 H new ATOM 0 HG23 VAL B 52 -7.124 17.814 -10.074 1.00 0.00 H new ATOM 1974 N HIS B 53 -7.757 14.909 -13.046 1.00 0.00 N ATOM 1975 CA HIS B 53 -6.677 14.685 -13.992 1.00 0.00 C ATOM 1976 C HIS B 53 -6.771 15.716 -15.085 1.00 0.00 C ATOM 1977 O HIS B 53 -5.783 16.056 -15.751 1.00 0.00 O ATOM 1978 CB HIS B 53 -6.685 13.260 -14.563 1.00 0.00 C ATOM 1979 CG HIS B 53 -6.276 12.209 -13.568 1.00 0.00 C ATOM 1980 ND1 HIS B 53 -7.027 11.096 -13.250 1.00 0.00 N ATOM 1981 CD2 HIS B 53 -5.135 12.101 -12.853 1.00 0.00 C ATOM 1982 CE1 HIS B 53 -6.336 10.365 -12.371 1.00 0.00 C ATOM 1983 NE2 HIS B 53 -5.173 10.932 -12.095 1.00 0.00 N ATOM 0 H HIS B 53 -8.607 14.381 -13.243 1.00 0.00 H new ATOM 0 HA HIS B 53 -5.727 14.790 -13.468 1.00 0.00 H new ATOM 0 HB2 HIS B 53 -7.685 13.031 -14.930 1.00 0.00 H new ATOM 0 HB3 HIS B 53 -6.013 13.218 -15.420 1.00 0.00 H new ATOM 0 HD2 HIS B 53 -4.320 12.810 -12.867 1.00 0.00 H new ATOM 0 HE1 HIS B 53 -6.681 9.435 -11.943 1.00 0.00 H new ATOM 0 HE2 HIS B 53 -4.454 10.586 -11.460 1.00 0.00 H new ATOM 1991 N LYS B 54 -7.960 16.210 -15.244 1.00 0.00 N ATOM 1992 CA LYS B 54 -8.272 17.311 -16.120 1.00 0.00 C ATOM 1993 C LYS B 54 -8.787 18.432 -15.257 1.00 0.00 C ATOM 1994 O LYS B 54 -8.966 18.245 -14.047 1.00 0.00 O ATOM 1995 CB LYS B 54 -9.358 16.939 -17.132 1.00 0.00 C ATOM 1996 CG LYS B 54 -8.943 15.950 -18.214 1.00 0.00 C ATOM 1997 CD LYS B 54 -10.109 15.651 -19.163 1.00 0.00 C ATOM 1998 CE LYS B 54 -10.676 16.930 -19.788 1.00 0.00 C ATOM 1999 NZ LYS B 54 -11.772 16.662 -20.735 1.00 0.00 N ATOM 0 H LYS B 54 -8.776 15.847 -14.750 1.00 0.00 H new ATOM 0 HA LYS B 54 -7.378 17.592 -16.676 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -10.206 16.521 -16.590 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -9.707 17.852 -17.615 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -8.104 16.356 -18.780 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -8.599 15.024 -17.753 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -9.772 14.979 -19.952 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -10.898 15.132 -18.618 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -11.037 17.587 -18.997 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -9.877 17.462 -20.304 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -12.119 17.560 -21.128 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -11.424 16.058 -21.507 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -12.548 16.178 -20.240 1.00 0.00 H new ATOM 2013 N LEU B 55 -9.027 19.578 -15.833 1.00 0.00 N ATOM 2014 CA LEU B 55 -9.585 20.644 -15.058 1.00 0.00 C ATOM 2015 C LEU B 55 -11.098 20.511 -14.972 1.00 0.00 C ATOM 2016 O LEU B 55 -11.739 19.944 -15.862 1.00 0.00 O ATOM 2017 CB LEU B 55 -9.119 22.055 -15.546 1.00 0.00 C ATOM 2018 CG LEU B 55 -9.431 22.500 -17.000 1.00 0.00 C ATOM 2019 CD1 LEU B 55 -10.907 22.808 -17.214 1.00 0.00 C ATOM 2020 CD2 LEU B 55 -8.583 23.702 -17.370 1.00 0.00 C ATOM 0 H LEU B 55 -8.849 19.793 -16.814 1.00 0.00 H new ATOM 0 HA LEU B 55 -9.195 20.555 -14.044 1.00 0.00 H new ATOM 0 HB2 LEU B 55 -9.558 22.794 -14.876 1.00 0.00 H new ATOM 0 HB3 LEU B 55 -8.038 22.107 -15.413 1.00 0.00 H new ATOM 0 HG LEU B 55 -9.184 21.663 -17.653 1.00 0.00 H new ATOM 0 HD11 LEU B 55 -11.069 23.114 -18.248 1.00 0.00 H new ATOM 0 HD12 LEU B 55 -11.499 21.917 -17.003 1.00 0.00 H new ATOM 0 HD13 LEU B 55 -11.211 23.613 -16.545 1.00 0.00 H new ATOM 0 HD21 LEU B 55 -8.809 24.006 -18.392 1.00 0.00 H new ATOM 0 HD22 LEU B 55 -8.802 24.525 -16.689 1.00 0.00 H new ATOM 0 HD23 LEU B 55 -7.528 23.440 -17.295 1.00 0.00 H new ATOM 2032 N GLU B 56 -11.633 20.994 -13.893 1.00 0.00 N ATOM 2033 CA GLU B 56 -13.056 21.050 -13.631 1.00 0.00 C ATOM 2034 C GLU B 56 -13.191 21.998 -12.487 1.00 0.00 C ATOM 2035 O GLU B 56 -14.024 22.907 -12.489 1.00 0.00 O ATOM 2036 CB GLU B 56 -13.663 19.682 -13.283 1.00 0.00 C ATOM 2037 CG GLU B 56 -15.189 19.719 -13.237 1.00 0.00 C ATOM 2038 CD GLU B 56 -15.817 18.388 -12.951 1.00 0.00 C ATOM 2039 OE1 GLU B 56 -15.855 17.521 -13.853 1.00 0.00 O ATOM 2040 OE2 GLU B 56 -16.318 18.185 -11.835 1.00 0.00 O ATOM 0 H GLU B 56 -11.074 21.379 -13.132 1.00 0.00 H new ATOM 0 HA GLU B 56 -13.600 21.371 -14.519 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -13.342 18.946 -14.021 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -13.281 19.353 -12.317 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -15.503 20.430 -12.473 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -15.563 20.090 -14.191 1.00 0.00 H new ATOM 2047 N HIS B 57 -12.331 21.784 -11.493 1.00 0.00 N ATOM 2048 CA HIS B 57 -12.126 22.770 -10.464 1.00 0.00 C ATOM 2049 C HIS B 57 -11.396 23.876 -11.149 1.00 0.00 C ATOM 2050 O HIS B 57 -10.530 23.599 -12.016 1.00 0.00 O ATOM 2051 CB HIS B 57 -11.241 22.253 -9.313 1.00 0.00 C ATOM 2052 CG HIS B 57 -11.812 21.129 -8.507 1.00 0.00 C ATOM 2053 ND1 HIS B 57 -11.060 20.317 -7.682 1.00 0.00 N ATOM 2054 CD2 HIS B 57 -13.088 20.710 -8.377 1.00 0.00 C ATOM 2055 CE1 HIS B 57 -11.883 19.454 -7.092 1.00 0.00 C ATOM 2056 NE2 HIS B 57 -13.133 19.651 -7.481 1.00 0.00 N ATOM 0 H HIS B 57 -11.773 20.937 -11.389 1.00 0.00 H new ATOM 0 HA HIS B 57 -13.080 23.059 -10.022 1.00 0.00 H new ATOM 0 HB2 HIS B 57 -10.288 21.928 -9.730 1.00 0.00 H new ATOM 0 HB3 HIS B 57 -11.028 23.085 -8.642 1.00 0.00 H new ATOM 0 HD2 HIS B 57 -13.940 21.132 -8.889 1.00 0.00 H new ATOM 0 HE1 HIS B 57 -11.573 18.694 -6.390 1.00 0.00 H new ATOM 0 HE2 HIS B 57 -13.959 19.132 -7.184 1.00 0.00 H new ATOM 2064 N HIS B 58 -11.715 25.077 -10.838 1.00 0.00 N ATOM 2065 CA HIS B 58 -11.105 26.164 -11.511 1.00 0.00 C ATOM 2066 C HIS B 58 -9.717 26.452 -11.021 1.00 0.00 C ATOM 2067 O HIS B 58 -9.510 27.126 -10.012 1.00 0.00 O ATOM 2068 CB HIS B 58 -11.987 27.417 -11.567 1.00 0.00 C ATOM 2069 CG HIS B 58 -13.211 27.228 -12.411 1.00 0.00 C ATOM 2070 ND1 HIS B 58 -14.485 27.548 -12.012 1.00 0.00 N ATOM 2071 CD2 HIS B 58 -13.325 26.742 -13.670 1.00 0.00 C ATOM 2072 CE1 HIS B 58 -15.318 27.249 -13.009 1.00 0.00 C ATOM 2073 NE2 HIS B 58 -14.661 26.753 -14.051 1.00 0.00 N ATOM 0 H HIS B 58 -12.395 25.334 -10.122 1.00 0.00 H new ATOM 0 HA HIS B 58 -10.996 25.837 -12.545 1.00 0.00 H new ATOM 0 HB2 HIS B 58 -12.287 27.690 -10.555 1.00 0.00 H new ATOM 0 HB3 HIS B 58 -11.404 28.249 -11.962 1.00 0.00 H new ATOM 0 HD1 HIS B 58 -14.748 27.945 -11.110 1.00 0.00 H new ATOM 0 HD2 HIS B 58 -12.504 26.399 -14.283 1.00 0.00 H new ATOM 0 HE1 HIS B 58 -16.388 27.392 -12.974 1.00 0.00 H new ATOM 2081 N HIS B 59 -8.767 25.847 -11.708 1.00 0.00 N ATOM 2082 CA HIS B 59 -7.350 26.137 -11.528 1.00 0.00 C ATOM 2083 C HIS B 59 -7.075 27.437 -12.286 1.00 0.00 C ATOM 2084 O HIS B 59 -6.076 28.129 -12.075 1.00 0.00 O ATOM 2085 CB HIS B 59 -6.482 24.995 -12.112 1.00 0.00 C ATOM 2086 CG HIS B 59 -6.732 23.631 -11.510 1.00 0.00 C ATOM 2087 ND1 HIS B 59 -6.952 22.488 -12.256 1.00 0.00 N ATOM 2088 CD2 HIS B 59 -6.765 23.237 -10.215 1.00 0.00 C ATOM 2089 CE1 HIS B 59 -7.115 21.467 -11.418 1.00 0.00 C ATOM 2090 NE2 HIS B 59 -7.009 21.861 -10.160 1.00 0.00 N ATOM 0 H HIS B 59 -8.954 25.134 -12.413 1.00 0.00 H new ATOM 0 HA HIS B 59 -7.104 26.229 -10.470 1.00 0.00 H new ATOM 0 HB2 HIS B 59 -6.657 24.939 -13.186 1.00 0.00 H new ATOM 0 HB3 HIS B 59 -5.431 25.250 -11.973 1.00 0.00 H new ATOM 0 HD2 HIS B 59 -6.625 23.883 -9.361 1.00 0.00 H new ATOM 0 HE1 HIS B 59 -7.309 20.450 -11.725 1.00 0.00 H new ATOM 0 HE2 HIS B 59 -7.089 21.282 -9.324 1.00 0.00 H new ATOM 2098 N HIS B 60 -7.997 27.702 -13.195 1.00 0.00 N ATOM 2099 CA HIS B 60 -8.105 28.878 -14.012 1.00 0.00 C ATOM 2100 C HIS B 60 -9.340 28.644 -14.865 1.00 0.00 C ATOM 2101 O HIS B 60 -9.813 27.491 -14.955 1.00 0.00 O ATOM 2102 CB HIS B 60 -6.859 29.101 -14.931 1.00 0.00 C ATOM 2103 CG HIS B 60 -6.664 28.078 -16.026 1.00 0.00 C ATOM 2104 ND1 HIS B 60 -7.006 28.292 -17.350 1.00 0.00 N ATOM 2105 CD2 HIS B 60 -6.150 26.829 -15.971 1.00 0.00 C ATOM 2106 CE1 HIS B 60 -6.702 27.191 -18.040 1.00 0.00 C ATOM 2107 NE2 HIS B 60 -6.176 26.268 -17.245 1.00 0.00 N ATOM 0 H HIS B 60 -8.747 27.039 -13.389 1.00 0.00 H new ATOM 0 HA HIS B 60 -8.168 29.770 -13.389 1.00 0.00 H new ATOM 0 HB2 HIS B 60 -6.940 30.087 -15.389 1.00 0.00 H new ATOM 0 HB3 HIS B 60 -5.966 29.112 -14.306 1.00 0.00 H new ATOM 0 HD2 HIS B 60 -5.778 26.344 -15.081 1.00 0.00 H new ATOM 0 HE1 HIS B 60 -6.862 27.068 -19.101 1.00 0.00 H new ATOM 0 HE2 HIS B 60 -5.856 25.337 -17.513 1.00 0.00 H new ATOM 2115 N HIS B 61 -9.867 29.668 -15.449 1.00 0.00 N ATOM 2116 CA HIS B 61 -10.972 29.521 -16.355 1.00 0.00 C ATOM 2117 C HIS B 61 -10.682 30.347 -17.591 1.00 0.00 C ATOM 2118 O HIS B 61 -10.958 31.552 -17.634 1.00 0.00 O ATOM 2119 CB HIS B 61 -12.321 29.906 -15.700 1.00 0.00 C ATOM 2120 CG HIS B 61 -13.532 29.637 -16.565 1.00 0.00 C ATOM 2121 ND1 HIS B 61 -14.197 28.436 -16.595 1.00 0.00 N ATOM 2122 CD2 HIS B 61 -14.182 30.441 -17.442 1.00 0.00 C ATOM 2123 CE1 HIS B 61 -15.200 28.535 -17.468 1.00 0.00 C ATOM 2124 NE2 HIS B 61 -15.238 29.735 -18.014 1.00 0.00 N ATOM 0 H HIS B 61 -9.551 30.629 -15.317 1.00 0.00 H new ATOM 0 HA HIS B 61 -11.077 28.472 -16.633 1.00 0.00 H new ATOM 0 HB2 HIS B 61 -12.428 29.356 -14.765 1.00 0.00 H new ATOM 0 HB3 HIS B 61 -12.299 30.966 -15.446 1.00 0.00 H new ATOM 0 HD1 HIS B 61 -13.964 27.610 -16.044 1.00 0.00 H new ATOM 0 HD2 HIS B 61 -13.922 31.466 -17.662 1.00 0.00 H new ATOM 0 HE1 HIS B 61 -15.891 27.737 -17.698 1.00 0.00 H new ATOM 2132 N HIS B 62 -10.062 29.713 -18.552 1.00 0.00 N ATOM 2133 CA HIS B 62 -9.661 30.349 -19.788 1.00 0.00 C ATOM 2134 C HIS B 62 -10.142 29.509 -20.932 1.00 0.00 C ATOM 2135 O HIS B 62 -11.015 29.954 -21.684 1.00 0.00 O ATOM 2136 CB HIS B 62 -8.131 30.549 -19.880 1.00 0.00 C ATOM 2137 CG HIS B 62 -7.561 31.515 -18.876 1.00 0.00 C ATOM 2138 ND1 HIS B 62 -6.356 31.337 -18.230 1.00 0.00 N ATOM 2139 CD2 HIS B 62 -8.043 32.705 -18.437 1.00 0.00 C ATOM 2140 CE1 HIS B 62 -6.151 32.389 -17.438 1.00 0.00 C ATOM 2141 NE2 HIS B 62 -7.147 33.254 -17.525 1.00 0.00 N ATOM 2142 OXT HIS B 62 -9.730 28.338 -21.022 1.00 0.00 O ATOM 0 H HIS B 62 -9.816 28.724 -18.501 1.00 0.00 H new ATOM 0 HA HIS B 62 -10.108 31.343 -19.824 1.00 0.00 H new ATOM 0 HB2 HIS B 62 -7.644 29.583 -19.751 1.00 0.00 H new ATOM 0 HB3 HIS B 62 -7.884 30.900 -20.882 1.00 0.00 H new ATOM 0 HD2 HIS B 62 -8.975 33.155 -18.747 1.00 0.00 H new ATOM 0 HE1 HIS B 62 -5.284 32.518 -16.807 1.00 0.00 H new ATOM 0 HE2 HIS B 62 -7.239 34.139 -17.027 1.00 0.00 H new TER 2150 HIS B 62