USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 863 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 ASN : amide:sc= 0.702 K(o=0.35,f=-1.3) USER MOD Set 1.2: A 103 HIS : no HD1:sc= -0.357 K(o=0.35,f=-1.3) USER MOD Set 2.1: A 79 THR OG1 : rot 180:sc= -1.07 USER MOD Set 2.2: A 82 GLN : amide:sc= -0.571 K(o=-1.6,f=-7.4!) USER MOD Set 3.1: A 18 THR OG1 : rot 127:sc= 1.41 USER MOD Set 3.2: A 38 HIS : no HD1:sc= 0.746 K(o=2.2,f=-7!) USER MOD Single : A 1 MET CE :methyl -165:sc= -0.0763 (180deg=-0.426) USER MOD Single : A 1 MET N :NH3+ -147:sc= 1.25 (180deg=0.128) USER MOD Single : A 5 SER OG : rot 180:sc= -0.238 USER MOD Single : A 6 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 HIS :FLIP no HD1:sc=-0.00148 F(o=-1.4,f=-0.0015) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 GLN : amide:sc= -0.195 K(o=-0.2,f=-0.93) USER MOD Single : A 29 ASN : amide:sc= -0.0366 X(o=-0.037,f=-0.037) USER MOD Single : A 31 ASN : amide:sc= -0.202 K(o=-0.2,f=-0.88) USER MOD Single : A 32 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00125) USER MOD Single : A 34 SER OG : rot 180:sc=0.000223 USER MOD Single : A 35 SER OG : rot -169:sc= 1.2 USER MOD Single : A 37 MET CE :methyl -168:sc= -0.352 (180deg=-0.657) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 SER OG : rot -78:sc= 0.0655 USER MOD Single : A 47 SER OG : rot 33:sc= 0.26 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -95:sc= 1.94 USER MOD Single : A 66 SER OG : rot 180:sc= 0.00142 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN :FLIP amide:sc= 0 F(o=-0.88,f=0) USER MOD Single : A 76 GLN : amide:sc= 0.651 K(o=0.65,f=-6.7!) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 83 ASN : amide:sc= 1.65 K(o=1.7,f=-4.2!) USER MOD Single : A 92 SER OG : rot 10:sc= 0.514 USER MOD Single : A 97 ASN : amide:sc= 1.05 K(o=1,f=-0.75) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 HIS : no HD1:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 106 HIS : no HE2:sc= 0.912 K(o=0.91,f=-3.7!) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=-0.0076) USER MOD Single : A 108 HIS : no HD1:sc= -0.325 X(o=-0.32,f=-0.04) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.656 -3.105 -3.321 1.00 0.00 N ATOM 2 CA MET A 1 -12.976 -4.385 -3.027 1.00 0.00 C ATOM 3 C MET A 1 -11.946 -4.700 -4.098 1.00 0.00 C ATOM 4 O MET A 1 -12.256 -4.714 -5.290 1.00 0.00 O ATOM 5 CB MET A 1 -13.993 -5.528 -2.946 1.00 0.00 C ATOM 6 CG MET A 1 -13.360 -6.879 -2.666 1.00 0.00 C ATOM 7 SD MET A 1 -14.543 -8.237 -2.736 1.00 0.00 S ATOM 8 CE MET A 1 -15.658 -7.788 -1.407 1.00 0.00 C ATOM 0 H1 MET A 1 -13.898 -2.627 -2.429 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.024 -2.496 -3.879 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.525 -3.290 -3.861 1.00 0.00 H new ATOM 0 HA MET A 1 -12.473 -4.286 -2.065 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.717 -5.305 -2.163 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.545 -5.581 -3.885 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.565 -7.059 -3.390 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.895 -6.859 -1.680 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.279 -8.645 -1.148 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.080 -7.482 -0.535 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.294 -6.963 -1.729 1.00 0.00 H new ATOM 20 N LEU A 2 -10.722 -4.957 -3.666 1.00 0.00 N ATOM 21 CA LEU A 2 -9.637 -5.271 -4.571 1.00 0.00 C ATOM 22 C LEU A 2 -9.671 -6.747 -4.939 1.00 0.00 C ATOM 23 O LEU A 2 -9.199 -7.604 -4.191 1.00 0.00 O ATOM 24 CB LEU A 2 -8.290 -4.905 -3.938 1.00 0.00 C ATOM 25 CG LEU A 2 -7.064 -5.155 -4.816 1.00 0.00 C ATOM 26 CD1 LEU A 2 -7.134 -4.326 -6.087 1.00 0.00 C ATOM 27 CD2 LEU A 2 -5.791 -4.848 -4.047 1.00 0.00 C ATOM 0 H LEU A 2 -10.457 -4.953 -2.681 1.00 0.00 H new ATOM 0 HA LEU A 2 -9.759 -4.683 -5.481 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -8.311 -3.850 -3.664 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -8.176 -5.472 -3.014 1.00 0.00 H new ATOM 0 HG LEU A 2 -7.053 -6.208 -5.098 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -6.252 -4.520 -6.697 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -8.029 -4.595 -6.648 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.172 -3.268 -5.829 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -4.927 -5.031 -4.686 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -5.797 -3.804 -3.735 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -5.734 -5.489 -3.167 1.00 0.00 H new ATOM 39 N VAL A 3 -10.283 -7.041 -6.068 1.00 0.00 N ATOM 40 CA VAL A 3 -10.313 -8.399 -6.585 1.00 0.00 C ATOM 41 C VAL A 3 -9.011 -8.711 -7.305 1.00 0.00 C ATOM 42 O VAL A 3 -8.736 -8.163 -8.374 1.00 0.00 O ATOM 43 CB VAL A 3 -11.496 -8.616 -7.551 1.00 0.00 C ATOM 44 CG1 VAL A 3 -11.512 -10.046 -8.077 1.00 0.00 C ATOM 45 CG2 VAL A 3 -12.814 -8.285 -6.865 1.00 0.00 C ATOM 0 H VAL A 3 -10.769 -6.357 -6.649 1.00 0.00 H new ATOM 0 HA VAL A 3 -10.439 -9.071 -5.736 1.00 0.00 H new ATOM 0 HB VAL A 3 -11.369 -7.943 -8.399 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -12.355 -10.175 -8.756 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -10.583 -10.248 -8.610 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -11.610 -10.740 -7.242 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -13.637 -8.444 -7.562 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -12.944 -8.930 -5.996 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -12.806 -7.243 -6.545 1.00 0.00 H new ATOM 55 N ILE A 4 -8.206 -9.578 -6.709 1.00 0.00 N ATOM 56 CA ILE A 4 -6.935 -9.973 -7.298 1.00 0.00 C ATOM 57 C ILE A 4 -7.111 -11.242 -8.119 1.00 0.00 C ATOM 58 O ILE A 4 -6.521 -11.398 -9.189 1.00 0.00 O ATOM 59 CB ILE A 4 -5.861 -10.211 -6.211 1.00 0.00 C ATOM 60 CG1 ILE A 4 -5.681 -8.952 -5.355 1.00 0.00 C ATOM 61 CG2 ILE A 4 -4.535 -10.619 -6.845 1.00 0.00 C ATOM 62 CD1 ILE A 4 -4.670 -9.112 -4.238 1.00 0.00 C ATOM 0 H ILE A 4 -8.411 -10.023 -5.814 1.00 0.00 H new ATOM 0 HA ILE A 4 -6.601 -9.160 -7.943 1.00 0.00 H new ATOM 0 HB ILE A 4 -6.197 -11.024 -5.567 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -5.371 -8.128 -5.998 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -6.644 -8.676 -4.925 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -3.793 -10.782 -6.063 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -4.671 -11.539 -7.413 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -4.192 -9.828 -7.512 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -4.598 -8.180 -3.677 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.988 -9.914 -3.571 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.696 -9.357 -4.661 1.00 0.00 H new ATOM 74 N SER A 5 -7.945 -12.137 -7.618 1.00 0.00 N ATOM 75 CA SER A 5 -8.200 -13.399 -8.278 1.00 0.00 C ATOM 76 C SER A 5 -9.601 -13.881 -7.931 1.00 0.00 C ATOM 77 O SER A 5 -10.260 -13.310 -7.061 1.00 0.00 O ATOM 78 CB SER A 5 -7.151 -14.435 -7.850 1.00 0.00 C ATOM 79 OG SER A 5 -7.376 -15.695 -8.461 1.00 0.00 O ATOM 0 H SER A 5 -8.460 -12.008 -6.747 1.00 0.00 H new ATOM 0 HA SER A 5 -8.131 -13.265 -9.358 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.156 -14.076 -8.114 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.172 -14.548 -6.766 1.00 0.00 H new ATOM 0 HG SER A 5 -6.689 -16.329 -8.167 1.00 0.00 H new ATOM 85 N ASN A 6 -10.045 -14.934 -8.599 1.00 0.00 N ATOM 86 CA ASN A 6 -11.354 -15.517 -8.337 1.00 0.00 C ATOM 87 C ASN A 6 -11.406 -16.079 -6.922 1.00 0.00 C ATOM 88 O ASN A 6 -12.466 -16.136 -6.297 1.00 0.00 O ATOM 89 CB ASN A 6 -11.638 -16.628 -9.353 1.00 0.00 C ATOM 90 CG ASN A 6 -13.053 -17.167 -9.261 1.00 0.00 C ATOM 91 OD1 ASN A 6 -13.990 -16.442 -8.917 1.00 0.00 O ATOM 92 ND2 ASN A 6 -13.222 -18.439 -9.586 1.00 0.00 N ATOM 0 H ASN A 6 -9.515 -15.406 -9.332 1.00 0.00 H new ATOM 0 HA ASN A 6 -12.113 -14.741 -8.433 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -11.465 -16.246 -10.359 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -10.933 -17.445 -9.197 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -14.154 -18.853 -9.557 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -12.421 -19.005 -9.865 1.00 0.00 H new ATOM 99 N ASN A 7 -10.247 -16.476 -6.415 1.00 0.00 N ATOM 100 CA ASN A 7 -10.159 -17.070 -5.086 1.00 0.00 C ATOM 101 C ASN A 7 -9.506 -16.114 -4.095 1.00 0.00 C ATOM 102 O ASN A 7 -9.248 -16.477 -2.949 1.00 0.00 O ATOM 103 CB ASN A 7 -9.366 -18.377 -5.137 1.00 0.00 C ATOM 104 CG ASN A 7 -9.971 -19.395 -6.085 1.00 0.00 C ATOM 105 OD1 ASN A 7 -9.635 -19.431 -7.268 1.00 0.00 O ATOM 106 ND2 ASN A 7 -10.862 -20.231 -5.578 1.00 0.00 N ATOM 0 H ASN A 7 -9.355 -16.398 -6.903 1.00 0.00 H new ATOM 0 HA ASN A 7 -11.175 -17.276 -4.749 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -8.342 -18.164 -5.445 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -9.315 -18.805 -4.136 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -11.296 -20.936 -6.173 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -11.115 -20.170 -4.592 1.00 0.00 H new ATOM 113 N VAL A 8 -9.245 -14.890 -4.535 1.00 0.00 N ATOM 114 CA VAL A 8 -8.594 -13.894 -3.683 1.00 0.00 C ATOM 115 C VAL A 8 -9.281 -12.539 -3.814 1.00 0.00 C ATOM 116 O VAL A 8 -9.292 -11.933 -4.889 1.00 0.00 O ATOM 117 CB VAL A 8 -7.091 -13.726 -4.029 1.00 0.00 C ATOM 118 CG1 VAL A 8 -6.430 -12.711 -3.101 1.00 0.00 C ATOM 119 CG2 VAL A 8 -6.357 -15.059 -3.962 1.00 0.00 C ATOM 0 H VAL A 8 -9.472 -14.560 -5.473 1.00 0.00 H new ATOM 0 HA VAL A 8 -8.678 -14.258 -2.659 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.028 -13.354 -5.052 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.377 -12.610 -3.363 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -6.924 -11.745 -3.207 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -6.516 -13.051 -2.069 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.306 -14.909 -4.209 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -6.438 -15.469 -2.955 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.801 -15.755 -4.673 1.00 0.00 H new ATOM 129 N HIS A 9 -9.827 -12.057 -2.709 1.00 0.00 N ATOM 130 CA HIS A 9 -10.507 -10.770 -2.678 1.00 0.00 C ATOM 131 C HIS A 9 -10.040 -9.985 -1.461 1.00 0.00 C ATOM 132 O HIS A 9 -9.893 -10.551 -0.382 1.00 0.00 O ATOM 133 CB HIS A 9 -12.031 -10.948 -2.610 1.00 0.00 C ATOM 134 CG HIS A 9 -12.611 -11.819 -3.687 1.00 0.00 C ATOM 135 ND1 HIS A 9 -12.852 -11.575 -4.997 1.00 0.00 N flip ATOM 136 CD2 HIS A 9 -13.028 -13.110 -3.459 1.00 0.00 C flip ATOM 137 CE1 HIS A 9 -13.405 -12.715 -5.527 1.00 0.00 C flip ATOM 138 NE2 HIS A 9 -13.500 -13.624 -4.578 1.00 0.00 N flip ATOM 0 H HIS A 9 -9.812 -12.543 -1.812 1.00 0.00 H new ATOM 0 HA HIS A 9 -10.264 -10.231 -3.594 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -12.290 -11.372 -1.640 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -12.500 -9.966 -2.664 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -12.977 -13.623 -2.510 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -13.712 -12.845 -6.554 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -13.875 -14.566 -4.690 1.00 0.00 H new ATOM 147 N LEU A 10 -9.787 -8.700 -1.636 1.00 0.00 N ATOM 148 CA LEU A 10 -9.367 -7.859 -0.527 1.00 0.00 C ATOM 149 C LEU A 10 -10.418 -6.800 -0.220 1.00 0.00 C ATOM 150 O LEU A 10 -10.703 -5.934 -1.049 1.00 0.00 O ATOM 151 CB LEU A 10 -8.025 -7.193 -0.832 1.00 0.00 C ATOM 152 CG LEU A 10 -6.821 -8.138 -0.861 1.00 0.00 C ATOM 153 CD1 LEU A 10 -5.545 -7.372 -1.174 1.00 0.00 C ATOM 154 CD2 LEU A 10 -6.689 -8.872 0.469 1.00 0.00 C ATOM 0 H LEU A 10 -9.864 -8.217 -2.531 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.250 -8.496 0.350 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.097 -6.692 -1.797 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.843 -6.421 -0.085 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.981 -8.874 -1.649 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.701 -8.062 -1.190 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.639 -6.891 -2.148 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.379 -6.613 -0.409 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.828 -9.540 0.432 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.552 -8.148 1.272 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.592 -9.454 0.655 1.00 0.00 H new ATOM 166 N PRO A 11 -11.027 -6.875 0.967 1.00 0.00 N ATOM 167 CA PRO A 11 -12.010 -5.891 1.419 1.00 0.00 C ATOM 168 C PRO A 11 -11.382 -4.518 1.639 1.00 0.00 C ATOM 169 O PRO A 11 -10.233 -4.411 2.075 1.00 0.00 O ATOM 170 CB PRO A 11 -12.525 -6.461 2.747 1.00 0.00 C ATOM 171 CG PRO A 11 -12.085 -7.888 2.765 1.00 0.00 C ATOM 172 CD PRO A 11 -10.820 -7.937 1.963 1.00 0.00 C ATOM 0 HA PRO A 11 -12.798 -5.739 0.681 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -12.114 -5.913 3.595 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -13.610 -6.384 2.813 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -11.914 -8.231 3.785 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -12.847 -8.537 2.333 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -9.942 -7.748 2.580 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -10.676 -8.910 1.493 1.00 0.00 H new ATOM 180 N ASP A 12 -12.148 -3.474 1.354 1.00 0.00 N ATOM 181 CA ASP A 12 -11.678 -2.103 1.476 1.00 0.00 C ATOM 182 C ASP A 12 -11.322 -1.768 2.913 1.00 0.00 C ATOM 183 O ASP A 12 -10.459 -0.933 3.178 1.00 0.00 O ATOM 184 CB ASP A 12 -12.757 -1.147 0.984 1.00 0.00 C ATOM 185 CG ASP A 12 -12.897 -1.154 -0.521 1.00 0.00 C ATOM 186 OD1 ASP A 12 -11.985 -0.644 -1.210 1.00 0.00 O ATOM 187 OD2 ASP A 12 -13.915 -1.676 -1.022 1.00 0.00 O ATOM 0 H ASP A 12 -13.112 -3.555 1.032 1.00 0.00 H new ATOM 0 HA ASP A 12 -10.780 -1.997 0.868 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -13.711 -1.419 1.435 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -12.522 -0.137 1.319 1.00 0.00 H new ATOM 192 N ALA A 13 -12.003 -2.432 3.830 1.00 0.00 N ATOM 193 CA ALA A 13 -11.775 -2.253 5.257 1.00 0.00 C ATOM 194 C ALA A 13 -10.355 -2.641 5.668 1.00 0.00 C ATOM 195 O ALA A 13 -9.853 -2.176 6.689 1.00 0.00 O ATOM 196 CB ALA A 13 -12.783 -3.066 6.048 1.00 0.00 C ATOM 0 H ALA A 13 -12.731 -3.112 3.608 1.00 0.00 H new ATOM 0 HA ALA A 13 -11.901 -1.193 5.477 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.606 -2.927 7.115 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -13.792 -2.735 5.801 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -12.676 -4.121 5.797 1.00 0.00 H new ATOM 202 N GLU A 14 -9.702 -3.488 4.873 1.00 0.00 N ATOM 203 CA GLU A 14 -8.363 -3.957 5.207 1.00 0.00 C ATOM 204 C GLU A 14 -7.298 -3.011 4.654 1.00 0.00 C ATOM 205 O GLU A 14 -6.104 -3.306 4.694 1.00 0.00 O ATOM 206 CB GLU A 14 -8.142 -5.381 4.685 1.00 0.00 C ATOM 207 CG GLU A 14 -9.138 -6.389 5.236 1.00 0.00 C ATOM 208 CD GLU A 14 -8.771 -7.825 4.915 1.00 0.00 C ATOM 209 OE1 GLU A 14 -8.189 -8.074 3.842 1.00 0.00 O ATOM 210 OE2 GLU A 14 -9.062 -8.717 5.742 1.00 0.00 O ATOM 0 H GLU A 14 -10.077 -3.860 4.000 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.273 -3.971 6.293 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.207 -5.375 3.597 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.132 -5.701 4.942 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.205 -6.271 6.317 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.126 -6.173 4.830 1.00 0.00 H new ATOM 217 N ILE A 15 -7.741 -1.870 4.150 1.00 0.00 N ATOM 218 CA ILE A 15 -6.836 -0.836 3.672 1.00 0.00 C ATOM 219 C ILE A 15 -7.126 0.471 4.400 1.00 0.00 C ATOM 220 O ILE A 15 -8.207 1.041 4.258 1.00 0.00 O ATOM 221 CB ILE A 15 -6.966 -0.614 2.146 1.00 0.00 C ATOM 222 CG1 ILE A 15 -6.772 -1.936 1.396 1.00 0.00 C ATOM 223 CG2 ILE A 15 -5.959 0.427 1.670 1.00 0.00 C ATOM 224 CD1 ILE A 15 -6.978 -1.823 -0.099 1.00 0.00 C ATOM 0 H ILE A 15 -8.730 -1.635 4.061 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.817 -1.166 3.876 1.00 0.00 H new ATOM 0 HB ILE A 15 -7.968 -0.242 1.934 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.766 -2.308 1.588 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.467 -2.675 1.795 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.065 0.570 0.595 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -6.143 1.372 2.182 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.949 0.084 1.893 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.824 -2.798 -0.562 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -7.993 -1.481 -0.302 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.265 -1.109 -0.511 1.00 0.00 H new ATOM 236 N GLU A 16 -6.164 0.937 5.189 1.00 0.00 N ATOM 237 CA GLU A 16 -6.353 2.146 5.980 1.00 0.00 C ATOM 238 C GLU A 16 -5.651 3.330 5.323 1.00 0.00 C ATOM 239 O GLU A 16 -4.427 3.335 5.153 1.00 0.00 O ATOM 240 CB GLU A 16 -5.834 1.945 7.411 1.00 0.00 C ATOM 241 CG GLU A 16 -6.144 3.110 8.346 1.00 0.00 C ATOM 242 CD GLU A 16 -7.634 3.348 8.512 1.00 0.00 C ATOM 243 OE1 GLU A 16 -8.226 4.051 7.666 1.00 0.00 O ATOM 244 OE2 GLU A 16 -8.219 2.842 9.496 1.00 0.00 O ATOM 0 H GLU A 16 -5.250 0.498 5.297 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.421 2.358 6.028 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -6.271 1.035 7.822 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.755 1.794 7.379 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.701 2.915 9.322 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.677 4.015 7.959 1.00 0.00 H new ATOM 251 N LEU A 17 -6.441 4.327 4.958 1.00 0.00 N ATOM 252 CA LEU A 17 -5.929 5.525 4.306 1.00 0.00 C ATOM 253 C LEU A 17 -5.781 6.655 5.316 1.00 0.00 C ATOM 254 O LEU A 17 -6.767 7.187 5.820 1.00 0.00 O ATOM 255 CB LEU A 17 -6.858 5.975 3.166 1.00 0.00 C ATOM 256 CG LEU A 17 -6.896 5.077 1.920 1.00 0.00 C ATOM 257 CD1 LEU A 17 -5.487 4.752 1.446 1.00 0.00 C ATOM 258 CD2 LEU A 17 -7.688 3.804 2.180 1.00 0.00 C ATOM 0 H LEU A 17 -7.451 4.331 5.104 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.953 5.283 3.886 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.871 6.053 3.561 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.558 6.976 2.856 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.404 5.627 1.128 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.538 4.115 0.563 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.965 5.676 1.198 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.948 4.232 2.238 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.696 3.190 1.279 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.225 3.247 2.994 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.711 4.062 2.453 1.00 0.00 H new ATOM 270 N THR A 18 -4.545 7.016 5.615 1.00 0.00 N ATOM 271 CA THR A 18 -4.271 8.115 6.523 1.00 0.00 C ATOM 272 C THR A 18 -3.775 9.323 5.736 1.00 0.00 C ATOM 273 O THR A 18 -3.135 9.171 4.700 1.00 0.00 O ATOM 274 CB THR A 18 -3.205 7.726 7.565 1.00 0.00 C ATOM 275 OG1 THR A 18 -3.073 6.298 7.624 1.00 0.00 O ATOM 276 CG2 THR A 18 -3.577 8.255 8.941 1.00 0.00 C ATOM 0 H THR A 18 -3.712 6.561 5.240 1.00 0.00 H new ATOM 0 HA THR A 18 -5.197 8.358 7.043 1.00 0.00 H new ATOM 0 HB THR A 18 -2.256 8.169 7.262 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.132 6.051 7.504 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.810 7.968 9.661 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.653 9.342 8.905 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.535 7.835 9.246 1.00 0.00 H new ATOM 284 N ALA A 19 -4.083 10.511 6.216 1.00 0.00 N ATOM 285 CA ALA A 19 -3.604 11.726 5.582 1.00 0.00 C ATOM 286 C ALA A 19 -2.461 12.318 6.391 1.00 0.00 C ATOM 287 O ALA A 19 -2.546 12.410 7.619 1.00 0.00 O ATOM 288 CB ALA A 19 -4.734 12.733 5.435 1.00 0.00 C ATOM 0 H ALA A 19 -4.662 10.663 7.042 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.237 11.481 4.585 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.356 13.637 4.958 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.527 12.304 4.822 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.131 12.981 6.419 1.00 0.00 H new ATOM 294 N ILE A 20 -1.386 12.687 5.715 1.00 0.00 N ATOM 295 CA ILE A 20 -0.246 13.295 6.379 1.00 0.00 C ATOM 296 C ILE A 20 -0.370 14.811 6.336 1.00 0.00 C ATOM 297 O ILE A 20 -0.189 15.435 5.287 1.00 0.00 O ATOM 298 CB ILE A 20 1.091 12.869 5.737 1.00 0.00 C ATOM 299 CG1 ILE A 20 1.205 11.344 5.712 1.00 0.00 C ATOM 300 CG2 ILE A 20 2.264 13.482 6.492 1.00 0.00 C ATOM 301 CD1 ILE A 20 2.452 10.836 5.021 1.00 0.00 C ATOM 0 H ILE A 20 -1.279 12.576 4.707 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.246 12.949 7.413 1.00 0.00 H new ATOM 0 HB ILE A 20 1.116 13.234 4.710 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.191 10.971 6.736 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.329 10.932 5.211 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.199 13.171 6.026 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.188 14.569 6.463 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.246 13.145 7.528 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.462 9.746 5.043 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.459 11.178 3.986 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.334 11.218 5.535 1.00 0.00 H new ATOM 313 N ARG A 21 -0.702 15.394 7.474 1.00 0.00 N ATOM 314 CA ARG A 21 -0.883 16.833 7.567 1.00 0.00 C ATOM 315 C ARG A 21 0.463 17.545 7.568 1.00 0.00 C ATOM 316 O ARG A 21 1.473 17.000 8.019 1.00 0.00 O ATOM 317 CB ARG A 21 -1.678 17.208 8.819 1.00 0.00 C ATOM 318 CG ARG A 21 -1.051 16.715 10.109 1.00 0.00 C ATOM 319 CD ARG A 21 -1.793 17.247 11.321 1.00 0.00 C ATOM 320 NE ARG A 21 -1.334 16.633 12.565 1.00 0.00 N ATOM 321 CZ ARG A 21 -1.179 17.296 13.710 1.00 0.00 C ATOM 322 NH1 ARG A 21 -1.309 18.619 13.742 1.00 0.00 N ATOM 323 NH2 ARG A 21 -0.878 16.636 14.823 1.00 0.00 N ATOM 0 H ARG A 21 -0.852 14.892 8.349 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.449 17.154 6.693 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -1.777 18.293 8.865 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -2.685 16.799 8.735 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.057 15.625 10.126 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.008 17.029 10.152 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.660 18.327 11.381 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -2.861 17.064 11.200 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.119 15.636 12.556 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -1.528 19.131 12.887 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -1.189 19.122 14.621 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -0.766 15.622 14.800 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -0.759 17.143 15.700 1.00 0.00 H new ATOM 337 N ALA A 22 0.468 18.763 7.064 1.00 0.00 N ATOM 338 CA ALA A 22 1.686 19.543 6.996 1.00 0.00 C ATOM 339 C ALA A 22 1.849 20.378 8.254 1.00 0.00 C ATOM 340 O ALA A 22 1.000 21.210 8.578 1.00 0.00 O ATOM 341 CB ALA A 22 1.680 20.429 5.757 1.00 0.00 C ATOM 0 H ALA A 22 -0.359 19.234 6.696 1.00 0.00 H new ATOM 0 HA ALA A 22 2.534 18.862 6.925 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.602 21.009 5.720 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.607 19.807 4.865 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.827 21.106 5.798 1.00 0.00 H new ATOM 347 N GLN A 23 2.924 20.126 8.980 1.00 0.00 N ATOM 348 CA GLN A 23 3.239 20.900 10.165 1.00 0.00 C ATOM 349 C GLN A 23 3.742 22.280 9.776 1.00 0.00 C ATOM 350 O GLN A 23 4.482 22.432 8.798 1.00 0.00 O ATOM 351 CB GLN A 23 4.281 20.176 11.009 1.00 0.00 C ATOM 352 CG GLN A 23 5.536 19.809 10.239 1.00 0.00 C ATOM 353 CD GLN A 23 6.539 19.068 11.087 1.00 0.00 C ATOM 354 OE1 GLN A 23 7.409 19.675 11.713 1.00 0.00 O ATOM 355 NE2 GLN A 23 6.421 17.753 11.127 1.00 0.00 N ATOM 0 H GLN A 23 3.595 19.388 8.767 1.00 0.00 H new ATOM 0 HA GLN A 23 2.331 21.015 10.757 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.555 20.807 11.854 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.838 19.269 11.419 1.00 0.00 H new ATOM 0 HG2 GLN A 23 5.265 19.193 9.381 1.00 0.00 H new ATOM 0 HG3 GLN A 23 5.996 20.716 9.847 1.00 0.00 H new ATOM 0 HE21 GLN A 23 5.685 17.290 10.593 1.00 0.00 H new ATOM 0 HE22 GLN A 23 7.065 17.200 11.692 1.00 0.00 H new ATOM 364 N GLY A 24 3.325 23.279 10.530 1.00 0.00 N ATOM 365 CA GLY A 24 3.735 24.634 10.253 1.00 0.00 C ATOM 366 C GLY A 24 3.547 25.538 11.450 1.00 0.00 C ATOM 367 O GLY A 24 2.417 25.864 11.817 1.00 0.00 O ATOM 0 H GLY A 24 2.706 23.175 11.334 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.783 24.642 9.954 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.161 25.022 9.412 1.00 0.00 H new ATOM 371 N ALA A 25 4.650 25.926 12.067 1.00 0.00 N ATOM 372 CA ALA A 25 4.607 26.844 13.191 1.00 0.00 C ATOM 373 C ALA A 25 4.837 28.267 12.705 1.00 0.00 C ATOM 374 O ALA A 25 5.720 28.516 11.886 1.00 0.00 O ATOM 375 CB ALA A 25 5.648 26.462 14.235 1.00 0.00 C ATOM 0 H ALA A 25 5.587 25.619 11.808 1.00 0.00 H new ATOM 0 HA ALA A 25 3.623 26.784 13.656 1.00 0.00 H new ATOM 0 HB1 ALA A 25 5.600 27.162 15.069 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.448 25.453 14.596 1.00 0.00 H new ATOM 0 HB3 ALA A 25 6.642 26.498 13.788 1.00 0.00 H new ATOM 381 N GLY A 26 4.023 29.192 13.185 1.00 0.00 N ATOM 382 CA GLY A 26 4.185 30.581 12.816 1.00 0.00 C ATOM 383 C GLY A 26 2.859 31.296 12.715 1.00 0.00 C ATOM 384 O GLY A 26 2.652 32.332 13.348 1.00 0.00 O ATOM 0 H GLY A 26 3.251 29.005 13.825 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.812 31.082 13.554 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.705 30.644 11.860 1.00 0.00 H new ATOM 388 N GLY A 27 1.956 30.736 11.929 1.00 0.00 N ATOM 389 CA GLY A 27 0.647 31.327 11.766 1.00 0.00 C ATOM 390 C GLY A 27 0.062 31.043 10.402 1.00 0.00 C ATOM 391 O GLY A 27 -0.662 30.064 10.222 1.00 0.00 O ATOM 0 H GLY A 27 2.107 29.878 11.398 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.023 30.942 12.535 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.715 32.405 11.914 1.00 0.00 H new ATOM 395 N GLN A 28 0.407 31.876 9.434 1.00 0.00 N ATOM 396 CA GLN A 28 -0.156 31.782 8.111 1.00 0.00 C ATOM 397 C GLN A 28 0.925 31.356 7.129 1.00 0.00 C ATOM 398 O GLN A 28 2.105 31.305 7.481 1.00 0.00 O ATOM 399 CB GLN A 28 -0.738 33.142 7.706 1.00 0.00 C ATOM 400 CG GLN A 28 -1.841 33.072 6.657 1.00 0.00 C ATOM 401 CD GLN A 28 -3.067 32.326 7.151 1.00 0.00 C ATOM 402 OE1 GLN A 28 -3.343 32.281 8.349 1.00 0.00 O ATOM 403 NE2 GLN A 28 -3.828 31.763 6.222 1.00 0.00 N ATOM 0 H GLN A 28 1.083 32.631 9.549 1.00 0.00 H new ATOM 0 HA GLN A 28 -0.954 31.039 8.101 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.131 33.634 8.596 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.068 33.769 7.325 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -2.127 34.083 6.367 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -1.457 32.581 5.763 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.562 31.824 5.239 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -4.679 31.269 6.490 1.00 0.00 H new ATOM 412 N ASN A 29 0.498 31.025 5.920 1.00 0.00 N ATOM 413 CA ASN A 29 1.380 30.595 4.818 1.00 0.00 C ATOM 414 C ASN A 29 1.921 29.181 5.046 1.00 0.00 C ATOM 415 O ASN A 29 2.406 28.521 4.126 1.00 0.00 O ATOM 416 CB ASN A 29 2.531 31.590 4.608 1.00 0.00 C ATOM 417 CG ASN A 29 3.388 31.263 3.396 1.00 0.00 C ATOM 418 OD1 ASN A 29 3.068 31.655 2.272 1.00 0.00 O ATOM 419 ND2 ASN A 29 4.488 30.559 3.619 1.00 0.00 N ATOM 0 H ASN A 29 -0.488 31.044 5.661 1.00 0.00 H new ATOM 0 HA ASN A 29 0.776 30.576 3.911 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.120 32.593 4.495 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.160 31.602 5.498 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.107 30.322 2.844 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.715 30.254 4.566 1.00 0.00 H new ATOM 426 N VAL A 30 1.808 28.720 6.275 1.00 0.00 N ATOM 427 CA VAL A 30 2.182 27.359 6.637 1.00 0.00 C ATOM 428 C VAL A 30 0.940 26.581 7.025 1.00 0.00 C ATOM 429 O VAL A 30 1.002 25.519 7.641 1.00 0.00 O ATOM 430 CB VAL A 30 3.188 27.334 7.799 1.00 0.00 C ATOM 431 CG1 VAL A 30 4.550 27.835 7.340 1.00 0.00 C ATOM 432 CG2 VAL A 30 2.682 28.158 8.974 1.00 0.00 C ATOM 0 H VAL A 30 1.455 29.275 7.055 1.00 0.00 H new ATOM 0 HA VAL A 30 2.660 26.900 5.771 1.00 0.00 H new ATOM 0 HB VAL A 30 3.295 26.301 8.131 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.248 27.810 8.177 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.921 27.197 6.538 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.457 28.858 6.976 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.412 28.124 9.783 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.538 29.191 8.658 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.734 27.749 9.323 1.00 0.00 H new ATOM 442 N ASN A 31 -0.185 27.130 6.623 1.00 0.00 N ATOM 443 CA ASN A 31 -1.494 26.583 6.950 1.00 0.00 C ATOM 444 C ASN A 31 -2.024 25.788 5.760 1.00 0.00 C ATOM 445 O ASN A 31 -3.223 25.530 5.634 1.00 0.00 O ATOM 446 CB ASN A 31 -2.442 27.738 7.302 1.00 0.00 C ATOM 447 CG ASN A 31 -3.765 27.294 7.903 1.00 0.00 C ATOM 448 OD1 ASN A 31 -3.857 26.264 8.572 1.00 0.00 O ATOM 449 ND2 ASN A 31 -4.801 28.083 7.674 1.00 0.00 N ATOM 0 H ASN A 31 -0.223 27.976 6.055 1.00 0.00 H new ATOM 0 HA ASN A 31 -1.421 25.912 7.806 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -1.941 28.403 8.005 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -2.641 28.318 6.401 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -5.716 27.847 8.057 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -4.685 28.928 7.115 1.00 0.00 H new ATOM 456 N LYS A 32 -1.107 25.402 4.893 1.00 0.00 N ATOM 457 CA LYS A 32 -1.441 24.660 3.690 1.00 0.00 C ATOM 458 C LYS A 32 -1.402 23.166 3.963 1.00 0.00 C ATOM 459 O LYS A 32 -0.375 22.627 4.378 1.00 0.00 O ATOM 460 CB LYS A 32 -0.464 25.016 2.573 1.00 0.00 C ATOM 461 CG LYS A 32 -0.745 24.339 1.239 1.00 0.00 C ATOM 462 CD LYS A 32 0.377 24.609 0.244 1.00 0.00 C ATOM 463 CE LYS A 32 0.102 23.983 -1.115 1.00 0.00 C ATOM 464 NZ LYS A 32 -0.951 24.716 -1.866 1.00 0.00 N ATOM 0 H LYS A 32 -0.111 25.593 5.002 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.450 24.930 3.379 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.479 26.096 2.427 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.544 24.752 2.893 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.854 23.265 1.388 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.690 24.702 0.835 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.506 25.685 0.127 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.314 24.217 0.640 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.021 23.970 -1.700 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -0.205 22.946 -0.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.094 24.265 -2.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.841 24.692 -1.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.656 25.704 -2.003 1.00 0.00 H new ATOM 478 N VAL A 33 -2.524 22.511 3.733 1.00 0.00 N ATOM 479 CA VAL A 33 -2.629 21.072 3.939 1.00 0.00 C ATOM 480 C VAL A 33 -1.838 20.337 2.865 1.00 0.00 C ATOM 481 O VAL A 33 -1.842 20.738 1.701 1.00 0.00 O ATOM 482 CB VAL A 33 -4.100 20.590 3.908 1.00 0.00 C ATOM 483 CG1 VAL A 33 -4.193 19.105 4.224 1.00 0.00 C ATOM 484 CG2 VAL A 33 -4.951 21.388 4.883 1.00 0.00 C ATOM 0 H VAL A 33 -3.382 22.952 3.402 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.221 20.852 4.925 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.482 20.752 2.900 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.237 18.792 4.196 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.624 18.540 3.486 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.785 18.918 5.217 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.980 21.032 4.844 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.562 21.262 5.893 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.922 22.443 4.612 1.00 0.00 H new ATOM 494 N SER A 34 -1.155 19.276 3.261 1.00 0.00 N ATOM 495 CA SER A 34 -0.359 18.495 2.332 1.00 0.00 C ATOM 496 C SER A 34 -1.235 17.466 1.625 1.00 0.00 C ATOM 497 O SER A 34 -2.325 17.132 2.097 1.00 0.00 O ATOM 498 CB SER A 34 0.786 17.797 3.070 1.00 0.00 C ATOM 499 OG SER A 34 1.715 17.225 2.166 1.00 0.00 O ATOM 0 H SER A 34 -1.137 18.936 4.222 1.00 0.00 H new ATOM 0 HA SER A 34 0.066 19.166 1.586 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.297 18.514 3.713 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.382 17.020 3.718 1.00 0.00 H new ATOM 0 HG SER A 34 2.434 16.789 2.669 1.00 0.00 H new ATOM 505 N SER A 35 -0.759 16.979 0.497 1.00 0.00 N ATOM 506 CA SER A 35 -1.469 15.962 -0.261 1.00 0.00 C ATOM 507 C SER A 35 -0.840 14.595 -0.011 1.00 0.00 C ATOM 508 O SER A 35 -1.193 13.604 -0.654 1.00 0.00 O ATOM 509 CB SER A 35 -1.428 16.307 -1.744 1.00 0.00 C ATOM 510 OG SER A 35 -1.936 17.611 -1.973 1.00 0.00 O ATOM 0 H SER A 35 0.124 17.273 0.080 1.00 0.00 H new ATOM 0 HA SER A 35 -2.509 15.928 0.062 1.00 0.00 H new ATOM 0 HB2 SER A 35 -0.403 16.242 -2.109 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.013 15.580 -2.307 1.00 0.00 H new ATOM 0 HG SER A 35 -2.069 17.746 -2.935 1.00 0.00 H new ATOM 516 N ALA A 36 0.096 14.559 0.931 1.00 0.00 N ATOM 517 CA ALA A 36 0.804 13.342 1.271 1.00 0.00 C ATOM 518 C ALA A 36 -0.107 12.384 2.017 1.00 0.00 C ATOM 519 O ALA A 36 -0.678 12.718 3.054 1.00 0.00 O ATOM 520 CB ALA A 36 2.041 13.659 2.099 1.00 0.00 C ATOM 0 H ALA A 36 0.381 15.373 1.476 1.00 0.00 H new ATOM 0 HA ALA A 36 1.123 12.860 0.347 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.561 12.733 2.346 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.705 14.307 1.527 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.744 14.164 3.018 1.00 0.00 H new ATOM 526 N MET A 37 -0.254 11.200 1.467 1.00 0.00 N ATOM 527 CA MET A 37 -1.092 10.179 2.067 1.00 0.00 C ATOM 528 C MET A 37 -0.242 9.083 2.691 1.00 0.00 C ATOM 529 O MET A 37 0.857 8.784 2.231 1.00 0.00 O ATOM 530 CB MET A 37 -2.024 9.575 1.017 1.00 0.00 C ATOM 531 CG MET A 37 -3.011 10.568 0.417 1.00 0.00 C ATOM 532 SD MET A 37 -4.219 11.168 1.617 1.00 0.00 S ATOM 533 CE MET A 37 -5.078 9.653 2.027 1.00 0.00 C ATOM 0 H MET A 37 0.199 10.916 0.598 1.00 0.00 H new ATOM 0 HA MET A 37 -1.689 10.646 2.850 1.00 0.00 H new ATOM 0 HB2 MET A 37 -1.422 9.148 0.215 1.00 0.00 H new ATOM 0 HB3 MET A 37 -2.581 8.754 1.470 1.00 0.00 H new ATOM 0 HG2 MET A 37 -2.462 11.415 0.006 1.00 0.00 H new ATOM 0 HG3 MET A 37 -3.535 10.095 -0.414 1.00 0.00 H new ATOM 0 HE1 MET A 37 -5.983 9.888 2.588 1.00 0.00 H new ATOM 0 HE2 MET A 37 -5.346 9.127 1.111 1.00 0.00 H new ATOM 0 HE3 MET A 37 -4.430 9.020 2.633 1.00 0.00 H new ATOM 543 N HIS A 38 -0.761 8.493 3.745 1.00 0.00 N ATOM 544 CA HIS A 38 -0.113 7.389 4.422 1.00 0.00 C ATOM 545 C HIS A 38 -0.979 6.156 4.297 1.00 0.00 C ATOM 546 O HIS A 38 -2.149 6.162 4.672 1.00 0.00 O ATOM 547 CB HIS A 38 0.118 7.732 5.891 1.00 0.00 C ATOM 548 CG HIS A 38 0.579 6.579 6.739 1.00 0.00 C ATOM 549 ND1 HIS A 38 -0.280 5.814 7.501 1.00 0.00 N ATOM 550 CD2 HIS A 38 1.815 6.075 6.953 1.00 0.00 C ATOM 551 CE1 HIS A 38 0.411 4.894 8.146 1.00 0.00 C ATOM 552 NE2 HIS A 38 1.686 5.027 7.834 1.00 0.00 N ATOM 0 H HIS A 38 -1.651 8.767 4.160 1.00 0.00 H new ATOM 0 HA HIS A 38 0.856 7.198 3.962 1.00 0.00 H new ATOM 0 HB2 HIS A 38 0.859 8.529 5.952 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -0.809 8.125 6.309 1.00 0.00 H new ATOM 0 HD2 HIS A 38 2.735 6.430 6.513 1.00 0.00 H new ATOM 0 HE1 HIS A 38 0.001 4.155 8.818 1.00 0.00 H new ATOM 0 HE2 HIS A 38 2.449 4.449 8.187 1.00 0.00 H new ATOM 561 N LEU A 39 -0.406 5.110 3.763 1.00 0.00 N ATOM 562 CA LEU A 39 -1.137 3.878 3.562 1.00 0.00 C ATOM 563 C LEU A 39 -0.622 2.800 4.488 1.00 0.00 C ATOM 564 O LEU A 39 0.589 2.605 4.618 1.00 0.00 O ATOM 565 CB LEU A 39 -1.041 3.406 2.108 1.00 0.00 C ATOM 566 CG LEU A 39 -1.979 4.102 1.119 1.00 0.00 C ATOM 567 CD1 LEU A 39 -1.487 5.506 0.793 1.00 0.00 C ATOM 568 CD2 LEU A 39 -2.120 3.273 -0.145 1.00 0.00 C ATOM 0 H LEU A 39 0.567 5.082 3.457 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.185 4.074 3.790 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.015 3.546 1.767 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.243 2.335 2.079 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.960 4.194 1.585 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.172 5.977 0.088 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.443 6.098 1.707 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.493 5.449 0.350 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.790 3.780 -0.840 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.142 3.149 -0.610 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.530 2.294 0.105 1.00 0.00 H new ATOM 580 N ARG A 40 -1.542 2.129 5.152 1.00 0.00 N ATOM 581 CA ARG A 40 -1.204 0.981 5.963 1.00 0.00 C ATOM 582 C ARG A 40 -1.992 -0.229 5.492 1.00 0.00 C ATOM 583 O ARG A 40 -3.226 -0.220 5.503 1.00 0.00 O ATOM 584 CB ARG A 40 -1.484 1.236 7.446 1.00 0.00 C ATOM 585 CG ARG A 40 -1.236 0.003 8.299 1.00 0.00 C ATOM 586 CD ARG A 40 -1.593 0.212 9.761 1.00 0.00 C ATOM 587 NE ARG A 40 -1.446 -1.038 10.505 1.00 0.00 N ATOM 588 CZ ARG A 40 -1.158 -1.131 11.799 1.00 0.00 C ATOM 589 NH1 ARG A 40 -1.081 -0.040 12.555 1.00 0.00 N ATOM 590 NH2 ARG A 40 -0.969 -2.332 12.336 1.00 0.00 N ATOM 0 H ARG A 40 -2.535 2.363 5.144 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.136 0.794 5.851 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.852 2.052 7.798 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.518 1.558 7.568 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.819 -0.829 7.904 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.186 -0.279 8.224 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.949 0.978 10.193 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.618 0.573 9.844 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.575 -1.909 9.989 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.244 0.879 12.143 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.859 -0.122 13.547 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -1.046 -3.168 11.756 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -0.747 -2.418 13.328 1.00 0.00 H new ATOM 604 N PHE A 41 -1.280 -1.252 5.060 1.00 0.00 N ATOM 605 CA PHE A 41 -1.907 -2.495 4.652 1.00 0.00 C ATOM 606 C PHE A 41 -1.263 -3.661 5.384 1.00 0.00 C ATOM 607 O PHE A 41 -0.154 -4.082 5.055 1.00 0.00 O ATOM 608 CB PHE A 41 -1.800 -2.680 3.134 1.00 0.00 C ATOM 609 CG PHE A 41 -2.450 -3.936 2.627 1.00 0.00 C ATOM 610 CD1 PHE A 41 -3.825 -4.006 2.476 1.00 0.00 C ATOM 611 CD2 PHE A 41 -1.687 -5.049 2.312 1.00 0.00 C ATOM 612 CE1 PHE A 41 -4.426 -5.160 2.011 1.00 0.00 C ATOM 613 CE2 PHE A 41 -2.281 -6.203 1.848 1.00 0.00 C ATOM 614 CZ PHE A 41 -3.652 -6.262 1.702 1.00 0.00 C ATOM 0 H PHE A 41 -0.263 -1.247 4.982 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.965 -2.460 4.912 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.256 -1.822 2.640 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.747 -2.688 2.852 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -4.434 -3.149 2.724 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.614 -5.012 2.431 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -5.498 -5.201 1.889 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.674 -7.061 1.599 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.119 -7.168 1.347 1.00 0.00 H new ATOM 624 N ASP A 42 -1.943 -4.159 6.400 1.00 0.00 N ATOM 625 CA ASP A 42 -1.427 -5.271 7.180 1.00 0.00 C ATOM 626 C ASP A 42 -1.576 -6.573 6.409 1.00 0.00 C ATOM 627 O ASP A 42 -2.660 -7.148 6.350 1.00 0.00 O ATOM 628 CB ASP A 42 -2.147 -5.389 8.531 1.00 0.00 C ATOM 629 CG ASP A 42 -1.886 -4.213 9.453 1.00 0.00 C ATOM 630 OD1 ASP A 42 -2.398 -3.114 9.180 1.00 0.00 O ATOM 631 OD2 ASP A 42 -1.193 -4.394 10.477 1.00 0.00 O ATOM 0 H ASP A 42 -2.853 -3.813 6.705 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.371 -5.079 7.368 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.220 -5.475 8.357 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -1.830 -6.307 9.025 1.00 0.00 H new ATOM 636 N ILE A 43 -0.484 -7.026 5.803 1.00 0.00 N ATOM 637 CA ILE A 43 -0.445 -8.328 5.146 1.00 0.00 C ATOM 638 C ILE A 43 -0.785 -9.415 6.159 1.00 0.00 C ATOM 639 O ILE A 43 -1.360 -10.450 5.830 1.00 0.00 O ATOM 640 CB ILE A 43 0.952 -8.610 4.544 1.00 0.00 C ATOM 641 CG1 ILE A 43 1.306 -7.540 3.506 1.00 0.00 C ATOM 642 CG2 ILE A 43 1.008 -9.999 3.919 1.00 0.00 C ATOM 643 CD1 ILE A 43 2.699 -7.691 2.934 1.00 0.00 C ATOM 0 H ILE A 43 0.392 -6.506 5.753 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.174 -8.325 4.336 1.00 0.00 H new ATOM 0 HB ILE A 43 1.685 -8.575 5.350 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.582 -7.580 2.693 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.215 -6.556 3.965 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.001 -10.171 3.503 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.798 -10.750 4.681 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.265 -10.071 3.125 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.881 -6.900 2.206 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.432 -7.621 3.738 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.788 -8.661 2.445 1.00 0.00 H new ATOM 655 N ASN A 44 -0.441 -9.137 7.406 1.00 0.00 N ATOM 656 CA ASN A 44 -0.694 -10.049 8.504 1.00 0.00 C ATOM 657 C ASN A 44 -2.195 -10.218 8.743 1.00 0.00 C ATOM 658 O ASN A 44 -2.695 -11.337 8.832 1.00 0.00 O ATOM 659 CB ASN A 44 -0.030 -9.515 9.772 1.00 0.00 C ATOM 660 CG ASN A 44 0.132 -10.580 10.837 1.00 0.00 C ATOM 661 OD1 ASN A 44 -0.763 -10.808 11.648 1.00 0.00 O ATOM 662 ND2 ASN A 44 1.288 -11.226 10.855 1.00 0.00 N ATOM 0 H ASN A 44 0.022 -8.271 7.683 1.00 0.00 H new ATOM 0 HA ASN A 44 -0.276 -11.023 8.247 1.00 0.00 H new ATOM 0 HB2 ASN A 44 0.949 -9.106 9.521 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.626 -8.694 10.172 1.00 0.00 H new ATOM 0 HD21 ASN A 44 1.461 -11.943 11.560 1.00 0.00 H new ATOM 0 HD22 ASN A 44 2.005 -11.007 10.164 1.00 0.00 H new ATOM 669 N ALA A 45 -2.906 -9.100 8.810 1.00 0.00 N ATOM 670 CA ALA A 45 -4.310 -9.104 9.224 1.00 0.00 C ATOM 671 C ALA A 45 -5.284 -9.027 8.048 1.00 0.00 C ATOM 672 O ALA A 45 -6.486 -8.854 8.247 1.00 0.00 O ATOM 673 CB ALA A 45 -4.564 -7.952 10.181 1.00 0.00 C ATOM 0 H ALA A 45 -2.537 -8.177 8.584 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.492 -10.057 9.720 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.610 -7.957 10.487 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.928 -8.062 11.059 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.337 -7.009 9.684 1.00 0.00 H new ATOM 679 N SER A 46 -4.780 -9.164 6.834 1.00 0.00 N ATOM 680 CA SER A 46 -5.631 -9.081 5.655 1.00 0.00 C ATOM 681 C SER A 46 -6.152 -10.458 5.249 1.00 0.00 C ATOM 682 O SER A 46 -5.806 -11.472 5.862 1.00 0.00 O ATOM 683 CB SER A 46 -4.869 -8.434 4.499 1.00 0.00 C ATOM 684 OG SER A 46 -3.566 -8.978 4.384 1.00 0.00 O ATOM 0 H SER A 46 -3.793 -9.332 6.637 1.00 0.00 H new ATOM 0 HA SER A 46 -6.492 -8.460 5.902 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.415 -8.587 3.568 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.805 -7.358 4.658 1.00 0.00 H new ATOM 0 HG SER A 46 -2.987 -8.589 5.073 1.00 0.00 H new ATOM 690 N SER A 47 -6.994 -10.483 4.224 1.00 0.00 N ATOM 691 CA SER A 47 -7.589 -11.723 3.735 1.00 0.00 C ATOM 692 C SER A 47 -6.658 -12.451 2.765 1.00 0.00 C ATOM 693 O SER A 47 -7.092 -13.314 2.000 1.00 0.00 O ATOM 694 CB SER A 47 -8.929 -11.421 3.058 1.00 0.00 C ATOM 695 OG SER A 47 -9.816 -10.776 3.960 1.00 0.00 O ATOM 0 H SER A 47 -7.283 -9.651 3.710 1.00 0.00 H new ATOM 0 HA SER A 47 -7.752 -12.380 4.589 1.00 0.00 H new ATOM 0 HB2 SER A 47 -8.766 -10.788 2.186 1.00 0.00 H new ATOM 0 HB3 SER A 47 -9.378 -12.348 2.700 1.00 0.00 H new ATOM 0 HG SER A 47 -9.304 -10.205 4.570 1.00 0.00 H new ATOM 701 N LEU A 48 -5.377 -12.111 2.814 1.00 0.00 N ATOM 702 CA LEU A 48 -4.380 -12.763 1.983 1.00 0.00 C ATOM 703 C LEU A 48 -4.120 -14.185 2.471 1.00 0.00 C ATOM 704 O LEU A 48 -3.826 -14.402 3.648 1.00 0.00 O ATOM 705 CB LEU A 48 -3.078 -11.960 1.988 1.00 0.00 C ATOM 706 CG LEU A 48 -3.154 -10.598 1.294 1.00 0.00 C ATOM 707 CD1 LEU A 48 -1.827 -9.864 1.415 1.00 0.00 C ATOM 708 CD2 LEU A 48 -3.536 -10.768 -0.171 1.00 0.00 C ATOM 0 H LEU A 48 -5.005 -11.383 3.424 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.762 -12.811 0.963 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.767 -11.807 3.022 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.301 -12.553 1.506 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.924 -10.003 1.785 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.899 -8.898 0.916 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.590 -9.712 2.468 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.040 -10.456 0.948 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.586 -9.790 -0.650 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.787 -11.381 -0.673 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.509 -11.255 -0.239 1.00 0.00 H new ATOM 720 N PRO A 49 -4.246 -15.166 1.565 1.00 0.00 N ATOM 721 CA PRO A 49 -4.018 -16.581 1.884 1.00 0.00 C ATOM 722 C PRO A 49 -2.598 -16.837 2.397 1.00 0.00 C ATOM 723 O PRO A 49 -1.662 -16.121 2.031 1.00 0.00 O ATOM 724 CB PRO A 49 -4.240 -17.292 0.543 1.00 0.00 C ATOM 725 CG PRO A 49 -5.062 -16.349 -0.263 1.00 0.00 C ATOM 726 CD PRO A 49 -4.635 -14.974 0.159 1.00 0.00 C ATOM 0 HA PRO A 49 -4.677 -16.931 2.679 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.292 -17.510 0.050 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.753 -18.244 0.681 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.897 -16.500 -1.330 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -6.126 -16.502 -0.080 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.804 -14.607 -0.443 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -5.445 -14.251 0.059 1.00 0.00 H new ATOM 734 N PRO A 50 -2.429 -17.874 3.241 1.00 0.00 N ATOM 735 CA PRO A 50 -1.146 -18.213 3.871 1.00 0.00 C ATOM 736 C PRO A 50 0.019 -18.238 2.883 1.00 0.00 C ATOM 737 O PRO A 50 1.078 -17.679 3.160 1.00 0.00 O ATOM 738 CB PRO A 50 -1.378 -19.615 4.461 1.00 0.00 C ATOM 739 CG PRO A 50 -2.715 -20.054 3.955 1.00 0.00 C ATOM 740 CD PRO A 50 -3.483 -18.802 3.658 1.00 0.00 C ATOM 0 HA PRO A 50 -0.865 -17.466 4.613 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -0.595 -20.306 4.147 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -1.362 -19.588 5.551 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -2.610 -20.667 3.060 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -3.232 -20.661 4.698 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -4.222 -18.956 2.872 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -4.020 -18.438 4.534 1.00 0.00 H new ATOM 748 N PHE A 51 -0.194 -18.864 1.729 1.00 0.00 N ATOM 749 CA PHE A 51 0.839 -18.966 0.698 1.00 0.00 C ATOM 750 C PHE A 51 1.384 -17.591 0.320 1.00 0.00 C ATOM 751 O PHE A 51 2.596 -17.360 0.338 1.00 0.00 O ATOM 752 CB PHE A 51 0.269 -19.659 -0.543 1.00 0.00 C ATOM 753 CG PHE A 51 1.258 -19.799 -1.666 1.00 0.00 C ATOM 754 CD1 PHE A 51 2.301 -20.708 -1.583 1.00 0.00 C ATOM 755 CD2 PHE A 51 1.142 -19.025 -2.810 1.00 0.00 C ATOM 756 CE1 PHE A 51 3.209 -20.840 -2.616 1.00 0.00 C ATOM 757 CE2 PHE A 51 2.046 -19.152 -3.846 1.00 0.00 C ATOM 758 CZ PHE A 51 3.081 -20.061 -3.750 1.00 0.00 C ATOM 0 H PHE A 51 -1.077 -19.311 1.482 1.00 0.00 H new ATOM 0 HA PHE A 51 1.662 -19.557 1.101 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.091 -20.649 -0.262 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.594 -19.095 -0.899 1.00 0.00 H new ATOM 0 HD1 PHE A 51 2.405 -21.321 -0.700 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.334 -18.313 -2.892 1.00 0.00 H new ATOM 0 HE1 PHE A 51 4.018 -21.551 -2.537 1.00 0.00 H new ATOM 0 HE2 PHE A 51 1.944 -18.541 -4.731 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.789 -20.163 -4.559 1.00 0.00 H new ATOM 768 N TYR A 52 0.481 -16.681 -0.009 1.00 0.00 N ATOM 769 CA TYR A 52 0.853 -15.341 -0.412 1.00 0.00 C ATOM 770 C TYR A 52 1.453 -14.565 0.757 1.00 0.00 C ATOM 771 O TYR A 52 2.471 -13.893 0.607 1.00 0.00 O ATOM 772 CB TYR A 52 -0.368 -14.610 -0.961 1.00 0.00 C ATOM 773 CG TYR A 52 -0.911 -15.210 -2.239 1.00 0.00 C ATOM 774 CD1 TYR A 52 -0.380 -14.859 -3.473 1.00 0.00 C ATOM 775 CD2 TYR A 52 -1.951 -16.129 -2.213 1.00 0.00 C ATOM 776 CE1 TYR A 52 -0.871 -15.403 -4.644 1.00 0.00 C ATOM 777 CE2 TYR A 52 -2.449 -16.679 -3.378 1.00 0.00 C ATOM 778 CZ TYR A 52 -1.906 -16.314 -4.591 1.00 0.00 C ATOM 779 OH TYR A 52 -2.399 -16.857 -5.755 1.00 0.00 O ATOM 0 H TYR A 52 -0.524 -16.852 -0.003 1.00 0.00 H new ATOM 0 HA TYR A 52 1.610 -15.412 -1.193 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.154 -14.614 -0.205 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.106 -13.568 -1.142 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.432 -14.148 -3.518 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.379 -16.419 -1.265 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -0.447 -15.117 -5.595 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -3.260 -17.391 -3.339 1.00 0.00 H new ATOM 0 HH TYR A 52 -3.124 -17.481 -5.543 1.00 0.00 H new ATOM 789 N LYS A 53 0.824 -14.687 1.921 1.00 0.00 N ATOM 790 CA LYS A 53 1.269 -14.019 3.126 1.00 0.00 C ATOM 791 C LYS A 53 2.708 -14.404 3.469 1.00 0.00 C ATOM 792 O LYS A 53 3.535 -13.545 3.778 1.00 0.00 O ATOM 793 CB LYS A 53 0.315 -14.404 4.250 1.00 0.00 C ATOM 794 CG LYS A 53 0.517 -13.653 5.544 1.00 0.00 C ATOM 795 CD LYS A 53 -0.543 -14.050 6.551 1.00 0.00 C ATOM 796 CE LYS A 53 -1.927 -13.567 6.135 1.00 0.00 C ATOM 797 NZ LYS A 53 -3.000 -14.120 7.004 1.00 0.00 N ATOM 0 H LYS A 53 -0.013 -15.256 2.050 1.00 0.00 H new ATOM 0 HA LYS A 53 1.260 -12.939 2.981 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.708 -14.242 3.909 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.421 -15.471 4.446 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.508 -13.866 5.945 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.471 -12.579 5.361 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.554 -15.135 6.659 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.291 -13.635 7.527 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.956 -12.478 6.173 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.115 -13.855 5.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.924 -13.765 6.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.991 -15.158 6.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.837 -13.824 7.988 1.00 0.00 H new ATOM 811 N GLU A 54 3.000 -15.698 3.394 1.00 0.00 N ATOM 812 CA GLU A 54 4.345 -16.213 3.629 1.00 0.00 C ATOM 813 C GLU A 54 5.334 -15.656 2.613 1.00 0.00 C ATOM 814 O GLU A 54 6.392 -15.147 2.979 1.00 0.00 O ATOM 815 CB GLU A 54 4.338 -17.738 3.539 1.00 0.00 C ATOM 816 CG GLU A 54 3.700 -18.420 4.732 1.00 0.00 C ATOM 817 CD GLU A 54 4.626 -18.472 5.922 1.00 0.00 C ATOM 818 OE1 GLU A 54 4.722 -17.470 6.662 1.00 0.00 O ATOM 819 OE2 GLU A 54 5.272 -19.520 6.122 1.00 0.00 O ATOM 0 H GLU A 54 2.313 -16.418 3.169 1.00 0.00 H new ATOM 0 HA GLU A 54 4.656 -15.899 4.625 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.807 -18.036 2.635 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.364 -18.091 3.437 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.788 -17.890 5.006 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.409 -19.433 4.456 1.00 0.00 H new ATOM 826 N ARG A 55 4.969 -15.753 1.342 1.00 0.00 N ATOM 827 CA ARG A 55 5.801 -15.358 0.246 1.00 0.00 C ATOM 828 C ARG A 55 6.189 -13.882 0.337 1.00 0.00 C ATOM 829 O ARG A 55 7.340 -13.518 0.101 1.00 0.00 O ATOM 830 CB ARG A 55 5.012 -15.644 -1.018 1.00 0.00 C ATOM 831 CG ARG A 55 5.850 -15.669 -2.252 1.00 0.00 C ATOM 832 CD ARG A 55 5.042 -16.153 -3.447 1.00 0.00 C ATOM 833 NE ARG A 55 5.830 -16.230 -4.676 1.00 0.00 N ATOM 834 CZ ARG A 55 6.114 -17.368 -5.305 1.00 0.00 C ATOM 835 NH1 ARG A 55 5.872 -18.537 -4.715 1.00 0.00 N ATOM 836 NH2 ARG A 55 6.680 -17.339 -6.505 1.00 0.00 N ATOM 0 H ARG A 55 4.062 -16.119 1.052 1.00 0.00 H new ATOM 0 HA ARG A 55 6.739 -15.913 0.255 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.507 -16.604 -0.912 1.00 0.00 H new ATOM 0 HB3 ARG A 55 4.236 -14.887 -1.131 1.00 0.00 H new ATOM 0 HG2 ARG A 55 6.240 -14.671 -2.452 1.00 0.00 H new ATOM 0 HG3 ARG A 55 6.709 -16.322 -2.100 1.00 0.00 H new ATOM 0 HD2 ARG A 55 4.629 -17.137 -3.225 1.00 0.00 H new ATOM 0 HD3 ARG A 55 4.198 -15.481 -3.604 1.00 0.00 H new ATOM 0 HE ARG A 55 6.183 -15.360 -5.075 1.00 0.00 H new ATOM 0 HH11 ARG A 55 5.468 -18.562 -3.779 1.00 0.00 H new ATOM 0 HH12 ARG A 55 6.091 -19.408 -5.199 1.00 0.00 H new ATOM 0 HH21 ARG A 55 6.897 -16.445 -6.945 1.00 0.00 H new ATOM 0 HH22 ARG A 55 6.898 -18.211 -6.987 1.00 0.00 H new ATOM 850 N LEU A 56 5.224 -13.046 0.698 1.00 0.00 N ATOM 851 CA LEU A 56 5.459 -11.614 0.860 1.00 0.00 C ATOM 852 C LEU A 56 6.399 -11.347 2.030 1.00 0.00 C ATOM 853 O LEU A 56 7.350 -10.574 1.920 1.00 0.00 O ATOM 854 CB LEU A 56 4.130 -10.890 1.095 1.00 0.00 C ATOM 855 CG LEU A 56 3.136 -10.945 -0.068 1.00 0.00 C ATOM 856 CD1 LEU A 56 1.825 -10.281 0.316 1.00 0.00 C ATOM 857 CD2 LEU A 56 3.723 -10.286 -1.303 1.00 0.00 C ATOM 0 H LEU A 56 4.264 -13.336 0.886 1.00 0.00 H new ATOM 0 HA LEU A 56 5.923 -11.239 -0.052 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.654 -11.318 1.978 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.341 -9.845 1.321 1.00 0.00 H new ATOM 0 HG LEU A 56 2.937 -11.992 -0.297 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.132 -10.331 -0.524 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.393 -10.797 1.173 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.007 -9.238 0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.002 -10.335 -2.119 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.953 -9.243 -1.084 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.636 -10.806 -1.594 1.00 0.00 H new ATOM 869 N LEU A 57 6.127 -12.005 3.147 1.00 0.00 N ATOM 870 CA LEU A 57 6.915 -11.856 4.356 1.00 0.00 C ATOM 871 C LEU A 57 8.323 -12.428 4.198 1.00 0.00 C ATOM 872 O LEU A 57 9.230 -12.103 4.969 1.00 0.00 O ATOM 873 CB LEU A 57 6.192 -12.557 5.496 1.00 0.00 C ATOM 874 CG LEU A 57 5.036 -11.770 6.110 1.00 0.00 C ATOM 875 CD1 LEU A 57 4.319 -12.599 7.163 1.00 0.00 C ATOM 876 CD2 LEU A 57 5.545 -10.471 6.713 1.00 0.00 C ATOM 0 H LEU A 57 5.350 -12.659 3.238 1.00 0.00 H new ATOM 0 HA LEU A 57 7.025 -10.793 4.568 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.809 -13.510 5.131 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.915 -12.783 6.280 1.00 0.00 H new ATOM 0 HG LEU A 57 4.323 -11.533 5.320 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.499 -12.019 7.587 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.923 -13.505 6.705 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.020 -12.868 7.953 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.711 -9.920 7.147 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.277 -10.693 7.490 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.013 -9.868 5.935 1.00 0.00 H new ATOM 888 N ALA A 58 8.497 -13.286 3.206 1.00 0.00 N ATOM 889 CA ALA A 58 9.781 -13.925 2.958 1.00 0.00 C ATOM 890 C ALA A 58 10.546 -13.224 1.841 1.00 0.00 C ATOM 891 O ALA A 58 11.531 -13.754 1.316 1.00 0.00 O ATOM 892 CB ALA A 58 9.573 -15.393 2.616 1.00 0.00 C ATOM 0 H ALA A 58 7.760 -13.558 2.555 1.00 0.00 H new ATOM 0 HA ALA A 58 10.378 -13.849 3.867 1.00 0.00 H new ATOM 0 HB1 ALA A 58 10.539 -15.864 2.432 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.078 -15.894 3.448 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.953 -15.474 1.723 1.00 0.00 H new ATOM 898 N LEU A 59 10.112 -12.020 1.489 1.00 0.00 N ATOM 899 CA LEU A 59 10.730 -11.287 0.417 1.00 0.00 C ATOM 900 C LEU A 59 11.983 -10.580 0.909 1.00 0.00 C ATOM 901 O LEU A 59 12.295 -10.590 2.101 1.00 0.00 O ATOM 902 CB LEU A 59 9.742 -10.281 -0.158 1.00 0.00 C ATOM 903 CG LEU A 59 9.304 -10.544 -1.600 1.00 0.00 C ATOM 904 CD1 LEU A 59 8.372 -9.443 -2.075 1.00 0.00 C ATOM 905 CD2 LEU A 59 10.508 -10.655 -2.527 1.00 0.00 C ATOM 0 H LEU A 59 9.332 -11.539 1.938 1.00 0.00 H new ATOM 0 HA LEU A 59 11.019 -11.986 -0.368 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.856 -10.264 0.476 1.00 0.00 H new ATOM 0 HB3 LEU A 59 10.189 -9.288 -0.107 1.00 0.00 H new ATOM 0 HG LEU A 59 8.770 -11.494 -1.625 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.068 -9.642 -3.103 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.490 -9.411 -1.435 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.888 -8.484 -2.029 1.00 0.00 H new ATOM 0 HD21 LEU A 59 10.167 -10.842 -3.545 1.00 0.00 H new ATOM 0 HD22 LEU A 59 11.075 -9.725 -2.499 1.00 0.00 H new ATOM 0 HD23 LEU A 59 11.144 -11.478 -2.200 1.00 0.00 H new ATOM 917 N ASN A 60 12.688 -9.960 -0.019 1.00 0.00 N ATOM 918 CA ASN A 60 13.962 -9.316 0.271 1.00 0.00 C ATOM 919 C ASN A 60 13.787 -7.807 0.241 1.00 0.00 C ATOM 920 O ASN A 60 14.754 -7.055 0.155 1.00 0.00 O ATOM 921 CB ASN A 60 14.987 -9.752 -0.778 1.00 0.00 C ATOM 922 CG ASN A 60 16.432 -9.716 -0.297 1.00 0.00 C ATOM 923 OD1 ASN A 60 17.233 -10.564 -0.684 1.00 0.00 O ATOM 924 ND2 ASN A 60 16.786 -8.730 0.510 1.00 0.00 N ATOM 0 H ASN A 60 12.397 -9.887 -0.994 1.00 0.00 H new ATOM 0 HA ASN A 60 14.312 -9.607 1.261 1.00 0.00 H new ATOM 0 HB2 ASN A 60 14.749 -10.765 -1.102 1.00 0.00 H new ATOM 0 HB3 ASN A 60 14.891 -9.108 -1.652 1.00 0.00 H new ATOM 0 HD21 ASN A 60 17.751 -8.656 0.831 1.00 0.00 H new ATOM 0 HD22 ASN A 60 16.094 -8.044 0.811 1.00 0.00 H new ATOM 931 N ASP A 61 12.543 -7.369 0.304 1.00 0.00 N ATOM 932 CA ASP A 61 12.239 -5.958 0.132 1.00 0.00 C ATOM 933 C ASP A 61 12.300 -5.219 1.467 1.00 0.00 C ATOM 934 O ASP A 61 12.652 -5.794 2.494 1.00 0.00 O ATOM 935 CB ASP A 61 10.869 -5.778 -0.522 1.00 0.00 C ATOM 936 CG ASP A 61 10.751 -4.435 -1.208 1.00 0.00 C ATOM 937 OD1 ASP A 61 11.185 -4.333 -2.373 1.00 0.00 O ATOM 938 OD2 ASP A 61 10.267 -3.479 -0.570 1.00 0.00 O ATOM 0 H ASP A 61 11.731 -7.964 0.472 1.00 0.00 H new ATOM 0 HA ASP A 61 12.994 -5.528 -0.526 1.00 0.00 H new ATOM 0 HB2 ASP A 61 10.705 -6.574 -1.248 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.089 -5.871 0.234 1.00 0.00 H new ATOM 943 N SER A 62 11.956 -3.943 1.436 1.00 0.00 N ATOM 944 CA SER A 62 12.049 -3.086 2.611 1.00 0.00 C ATOM 945 C SER A 62 10.719 -2.378 2.879 1.00 0.00 C ATOM 946 O SER A 62 10.487 -1.868 3.977 1.00 0.00 O ATOM 947 CB SER A 62 13.164 -2.061 2.415 1.00 0.00 C ATOM 948 OG SER A 62 14.390 -2.699 2.081 1.00 0.00 O ATOM 0 H SER A 62 11.606 -3.472 0.602 1.00 0.00 H new ATOM 0 HA SER A 62 12.280 -3.708 3.476 1.00 0.00 H new ATOM 0 HB2 SER A 62 12.886 -1.363 1.625 1.00 0.00 H new ATOM 0 HB3 SER A 62 13.290 -1.477 3.327 1.00 0.00 H new ATOM 0 HG SER A 62 15.088 -2.022 1.959 1.00 0.00 H new ATOM 954 N ARG A 63 9.848 -2.347 1.871 1.00 0.00 N ATOM 955 CA ARG A 63 8.513 -1.783 2.031 1.00 0.00 C ATOM 956 C ARG A 63 7.644 -2.760 2.807 1.00 0.00 C ATOM 957 O ARG A 63 6.669 -2.375 3.454 1.00 0.00 O ATOM 958 CB ARG A 63 7.889 -1.489 0.663 1.00 0.00 C ATOM 959 CG ARG A 63 8.631 -0.426 -0.134 1.00 0.00 C ATOM 960 CD ARG A 63 8.155 0.987 0.192 1.00 0.00 C ATOM 961 NE ARG A 63 8.247 1.306 1.621 1.00 0.00 N ATOM 962 CZ ARG A 63 9.099 2.196 2.134 1.00 0.00 C ATOM 963 NH1 ARG A 63 9.982 2.803 1.346 1.00 0.00 N ATOM 964 NH2 ARG A 63 9.076 2.468 3.436 1.00 0.00 N ATOM 0 H ARG A 63 10.045 -2.706 0.937 1.00 0.00 H new ATOM 0 HA ARG A 63 8.584 -0.845 2.582 1.00 0.00 H new ATOM 0 HB2 ARG A 63 7.859 -2.411 0.082 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.857 -1.169 0.806 1.00 0.00 H new ATOM 0 HG2 ARG A 63 9.699 -0.502 0.071 1.00 0.00 H new ATOM 0 HG3 ARG A 63 8.496 -0.615 -1.199 1.00 0.00 H new ATOM 0 HD2 ARG A 63 8.749 1.705 -0.374 1.00 0.00 H new ATOM 0 HD3 ARG A 63 7.121 1.101 -0.135 1.00 0.00 H new ATOM 0 HE ARG A 63 7.621 0.818 2.262 1.00 0.00 H new ATOM 0 HH11 ARG A 63 10.008 2.588 0.349 1.00 0.00 H new ATOM 0 HH12 ARG A 63 10.633 3.483 1.739 1.00 0.00 H new ATOM 0 HH21 ARG A 63 8.407 1.996 4.044 1.00 0.00 H new ATOM 0 HH22 ARG A 63 9.728 3.148 3.826 1.00 0.00 H new ATOM 978 N ILE A 64 8.022 -4.029 2.731 1.00 0.00 N ATOM 979 CA ILE A 64 7.353 -5.082 3.471 1.00 0.00 C ATOM 980 C ILE A 64 8.067 -5.317 4.795 1.00 0.00 C ATOM 981 O ILE A 64 9.215 -5.763 4.821 1.00 0.00 O ATOM 982 CB ILE A 64 7.321 -6.401 2.665 1.00 0.00 C ATOM 983 CG1 ILE A 64 6.625 -6.177 1.319 1.00 0.00 C ATOM 984 CG2 ILE A 64 6.618 -7.494 3.460 1.00 0.00 C ATOM 985 CD1 ILE A 64 6.574 -7.410 0.445 1.00 0.00 C ATOM 0 H ILE A 64 8.799 -4.353 2.155 1.00 0.00 H new ATOM 0 HA ILE A 64 6.326 -4.764 3.654 1.00 0.00 H new ATOM 0 HB ILE A 64 8.345 -6.724 2.477 1.00 0.00 H new ATOM 0 HG12 ILE A 64 5.608 -5.829 1.500 1.00 0.00 H new ATOM 0 HG13 ILE A 64 7.142 -5.383 0.781 1.00 0.00 H new ATOM 0 HG21 ILE A 64 6.604 -8.416 2.878 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.151 -7.663 4.396 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.595 -7.186 3.676 1.00 0.00 H new ATOM 0 HD11 ILE A 64 6.067 -7.172 -0.490 1.00 0.00 H new ATOM 0 HD12 ILE A 64 7.588 -7.747 0.232 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.030 -8.200 0.962 1.00 0.00 H new ATOM 997 N THR A 65 7.400 -4.990 5.893 1.00 0.00 N ATOM 998 CA THR A 65 7.974 -5.193 7.212 1.00 0.00 C ATOM 999 C THR A 65 7.799 -6.641 7.653 1.00 0.00 C ATOM 1000 O THR A 65 6.827 -7.298 7.277 1.00 0.00 O ATOM 1001 CB THR A 65 7.331 -4.262 8.258 1.00 0.00 C ATOM 1002 OG1 THR A 65 5.921 -4.502 8.325 1.00 0.00 O ATOM 1003 CG2 THR A 65 7.591 -2.798 7.921 1.00 0.00 C ATOM 0 H THR A 65 6.464 -4.584 5.895 1.00 0.00 H new ATOM 0 HA THR A 65 9.036 -4.957 7.143 1.00 0.00 H new ATOM 0 HB THR A 65 7.782 -4.476 9.227 1.00 0.00 H new ATOM 0 HG1 THR A 65 5.452 -3.860 7.752 1.00 0.00 H new ATOM 0 HG21 THR A 65 7.126 -2.163 8.675 1.00 0.00 H new ATOM 0 HG22 THR A 65 8.665 -2.614 7.903 1.00 0.00 H new ATOM 0 HG23 THR A 65 7.168 -2.569 6.943 1.00 0.00 H new ATOM 1011 N SER A 66 8.733 -7.124 8.460 1.00 0.00 N ATOM 1012 CA SER A 66 8.699 -8.497 8.945 1.00 0.00 C ATOM 1013 C SER A 66 7.494 -8.734 9.857 1.00 0.00 C ATOM 1014 O SER A 66 7.076 -9.871 10.071 1.00 0.00 O ATOM 1015 CB SER A 66 9.998 -8.795 9.687 1.00 0.00 C ATOM 1016 OG SER A 66 11.113 -8.347 8.931 1.00 0.00 O ATOM 0 H SER A 66 9.529 -6.581 8.795 1.00 0.00 H new ATOM 0 HA SER A 66 8.600 -9.170 8.093 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.989 -8.304 10.660 1.00 0.00 H new ATOM 0 HB3 SER A 66 10.082 -9.866 9.871 1.00 0.00 H new ATOM 0 HG SER A 66 11.940 -8.543 9.420 1.00 0.00 H new ATOM 1022 N ASP A 67 6.934 -7.644 10.379 1.00 0.00 N ATOM 1023 CA ASP A 67 5.768 -7.721 11.255 1.00 0.00 C ATOM 1024 C ASP A 67 4.521 -8.035 10.441 1.00 0.00 C ATOM 1025 O ASP A 67 3.546 -8.592 10.947 1.00 0.00 O ATOM 1026 CB ASP A 67 5.591 -6.401 12.014 1.00 0.00 C ATOM 1027 CG ASP A 67 4.619 -6.515 13.172 1.00 0.00 C ATOM 1028 OD1 ASP A 67 5.014 -7.054 14.230 1.00 0.00 O ATOM 1029 OD2 ASP A 67 3.471 -6.039 13.052 1.00 0.00 O ATOM 0 H ASP A 67 7.270 -6.696 10.210 1.00 0.00 H new ATOM 0 HA ASP A 67 5.922 -8.521 11.979 1.00 0.00 H new ATOM 0 HB2 ASP A 67 6.559 -6.070 12.390 1.00 0.00 H new ATOM 0 HB3 ASP A 67 5.238 -5.635 11.324 1.00 0.00 H new ATOM 1034 N GLY A 68 4.579 -7.699 9.159 1.00 0.00 N ATOM 1035 CA GLY A 68 3.474 -7.968 8.265 1.00 0.00 C ATOM 1036 C GLY A 68 2.637 -6.742 7.981 1.00 0.00 C ATOM 1037 O GLY A 68 1.432 -6.849 7.750 1.00 0.00 O ATOM 0 H GLY A 68 5.379 -7.242 8.721 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.861 -8.364 7.326 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.841 -8.741 8.700 1.00 0.00 H new ATOM 1041 N VAL A 69 3.266 -5.575 7.990 1.00 0.00 N ATOM 1042 CA VAL A 69 2.555 -4.331 7.736 1.00 0.00 C ATOM 1043 C VAL A 69 3.181 -3.577 6.564 1.00 0.00 C ATOM 1044 O VAL A 69 4.395 -3.371 6.520 1.00 0.00 O ATOM 1045 CB VAL A 69 2.565 -3.414 8.976 1.00 0.00 C ATOM 1046 CG1 VAL A 69 1.666 -2.205 8.761 1.00 0.00 C ATOM 1047 CG2 VAL A 69 2.148 -4.176 10.231 1.00 0.00 C ATOM 0 H VAL A 69 4.264 -5.464 8.170 1.00 0.00 H new ATOM 0 HA VAL A 69 1.526 -4.596 7.495 1.00 0.00 H new ATOM 0 HB VAL A 69 3.587 -3.063 9.120 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.689 -1.572 9.648 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.020 -1.637 7.901 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.644 -2.539 8.579 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.165 -3.503 11.088 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.140 -4.570 10.099 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.840 -5.000 10.403 1.00 0.00 H new ATOM 1057 N ILE A 70 2.352 -3.192 5.616 1.00 0.00 N ATOM 1058 CA ILE A 70 2.791 -2.372 4.497 1.00 0.00 C ATOM 1059 C ILE A 70 2.691 -0.901 4.867 1.00 0.00 C ATOM 1060 O ILE A 70 1.596 -0.391 5.115 1.00 0.00 O ATOM 1061 CB ILE A 70 1.948 -2.648 3.232 1.00 0.00 C ATOM 1062 CG1 ILE A 70 2.237 -4.049 2.695 1.00 0.00 C ATOM 1063 CG2 ILE A 70 2.199 -1.602 2.157 1.00 0.00 C ATOM 1064 CD1 ILE A 70 3.679 -4.257 2.284 1.00 0.00 C ATOM 0 H ILE A 70 1.361 -3.434 5.595 1.00 0.00 H new ATOM 0 HA ILE A 70 3.827 -2.628 4.277 1.00 0.00 H new ATOM 0 HB ILE A 70 0.896 -2.589 3.512 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.977 -4.782 3.458 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.593 -4.240 1.837 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.590 -1.827 1.281 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.934 -0.616 2.540 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.253 -1.612 1.878 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.809 -5.274 1.913 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.939 -3.548 1.498 1.00 0.00 H new ATOM 0 HD13 ILE A 70 4.329 -4.099 3.145 1.00 0.00 H new ATOM 1076 N VAL A 71 3.835 -0.235 4.930 1.00 0.00 N ATOM 1077 CA VAL A 71 3.885 1.173 5.297 1.00 0.00 C ATOM 1078 C VAL A 71 4.589 1.990 4.223 1.00 0.00 C ATOM 1079 O VAL A 71 5.760 1.755 3.907 1.00 0.00 O ATOM 1080 CB VAL A 71 4.620 1.389 6.636 1.00 0.00 C ATOM 1081 CG1 VAL A 71 4.574 2.851 7.044 1.00 0.00 C ATOM 1082 CG2 VAL A 71 4.040 0.504 7.729 1.00 0.00 C ATOM 0 H VAL A 71 4.745 -0.650 4.731 1.00 0.00 H new ATOM 0 HA VAL A 71 2.852 1.505 5.399 1.00 0.00 H new ATOM 0 HB VAL A 71 5.663 1.106 6.496 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.098 2.981 7.991 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.055 3.458 6.277 1.00 0.00 H new ATOM 0 HG13 VAL A 71 3.536 3.165 7.158 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.578 0.678 8.661 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.985 0.742 7.868 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.141 -0.543 7.442 1.00 0.00 H new ATOM 1092 N LEU A 72 3.863 2.943 3.659 1.00 0.00 N ATOM 1093 CA LEU A 72 4.421 3.841 2.651 1.00 0.00 C ATOM 1094 C LEU A 72 3.951 5.266 2.890 1.00 0.00 C ATOM 1095 O LEU A 72 3.088 5.516 3.737 1.00 0.00 O ATOM 1096 CB LEU A 72 4.025 3.433 1.223 1.00 0.00 C ATOM 1097 CG LEU A 72 4.786 2.251 0.611 1.00 0.00 C ATOM 1098 CD1 LEU A 72 4.247 0.926 1.114 1.00 0.00 C ATOM 1099 CD2 LEU A 72 4.717 2.310 -0.908 1.00 0.00 C ATOM 0 H LEU A 72 2.883 3.117 3.881 1.00 0.00 H new ATOM 0 HA LEU A 72 5.505 3.775 2.744 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.962 3.192 1.220 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.158 4.297 0.572 1.00 0.00 H new ATOM 0 HG LEU A 72 5.828 2.326 0.922 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.808 0.109 0.661 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.350 0.879 2.198 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.194 0.836 0.845 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.261 1.465 -1.330 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.676 2.267 -1.227 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.165 3.241 -1.257 1.00 0.00 H new ATOM 1111 N LYS A 73 4.516 6.184 2.126 1.00 0.00 N ATOM 1112 CA LYS A 73 4.115 7.576 2.150 1.00 0.00 C ATOM 1113 C LYS A 73 3.928 8.045 0.719 1.00 0.00 C ATOM 1114 O LYS A 73 4.889 8.173 -0.041 1.00 0.00 O ATOM 1115 CB LYS A 73 5.156 8.454 2.846 1.00 0.00 C ATOM 1116 CG LYS A 73 5.519 8.008 4.256 1.00 0.00 C ATOM 1117 CD LYS A 73 6.405 9.036 4.944 1.00 0.00 C ATOM 1118 CE LYS A 73 6.900 8.538 6.295 1.00 0.00 C ATOM 1119 NZ LYS A 73 7.651 9.589 7.032 1.00 0.00 N ATOM 0 H LYS A 73 5.269 5.982 1.469 1.00 0.00 H new ATOM 0 HA LYS A 73 3.185 7.663 2.712 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.062 8.471 2.240 1.00 0.00 H new ATOM 0 HB3 LYS A 73 4.781 9.477 2.888 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.610 7.858 4.839 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.034 7.048 4.216 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.258 9.266 4.306 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.849 9.964 5.079 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.051 8.211 6.895 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.541 7.669 6.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.971 9.210 7.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 8.476 9.884 6.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.032 10.409 7.194 1.00 0.00 H new ATOM 1133 N ALA A 74 2.689 8.272 0.355 1.00 0.00 N ATOM 1134 CA ALA A 74 2.342 8.657 -0.999 1.00 0.00 C ATOM 1135 C ALA A 74 2.495 10.155 -1.182 1.00 0.00 C ATOM 1136 O ALA A 74 1.772 10.947 -0.572 1.00 0.00 O ATOM 1137 CB ALA A 74 0.922 8.220 -1.325 1.00 0.00 C ATOM 0 H ALA A 74 1.891 8.196 0.986 1.00 0.00 H new ATOM 0 HA ALA A 74 3.024 8.157 -1.687 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.675 8.516 -2.345 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.844 7.137 -1.233 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.227 8.694 -0.632 1.00 0.00 H new ATOM 1143 N GLN A 75 3.460 10.539 -1.998 1.00 0.00 N ATOM 1144 CA GLN A 75 3.689 11.934 -2.316 1.00 0.00 C ATOM 1145 C GLN A 75 4.081 12.077 -3.781 1.00 0.00 C ATOM 1146 O GLN A 75 4.769 13.019 -4.167 1.00 0.00 O ATOM 1147 CB GLN A 75 4.778 12.502 -1.407 1.00 0.00 C ATOM 1148 CG GLN A 75 6.071 11.698 -1.407 1.00 0.00 C ATOM 1149 CD GLN A 75 7.090 12.219 -0.411 1.00 0.00 C ATOM 1150 OE1 GLN A 75 7.062 13.518 -0.152 1.00 0.00 O flip ATOM 1151 NE2 GLN A 75 7.895 11.456 0.124 1.00 0.00 N flip ATOM 0 H GLN A 75 4.104 9.894 -2.457 1.00 0.00 H new ATOM 0 HA GLN A 75 2.770 12.496 -2.149 1.00 0.00 H new ATOM 0 HB2 GLN A 75 4.998 13.524 -1.717 1.00 0.00 H new ATOM 0 HB3 GLN A 75 4.395 12.553 -0.388 1.00 0.00 H new ATOM 0 HG2 GLN A 75 5.845 10.657 -1.177 1.00 0.00 H new ATOM 0 HG3 GLN A 75 6.505 11.717 -2.407 1.00 0.00 H new ATOM 0 HE21 GLN A 75 7.883 10.462 -0.103 1.00 0.00 H new ATOM 0 HE22 GLN A 75 8.573 11.818 0.794 1.00 0.00 H new ATOM 1160 N GLN A 76 3.617 11.132 -4.587 1.00 0.00 N ATOM 1161 CA GLN A 76 3.944 11.088 -6.005 1.00 0.00 C ATOM 1162 C GLN A 76 3.211 12.193 -6.760 1.00 0.00 C ATOM 1163 O GLN A 76 3.744 12.782 -7.705 1.00 0.00 O ATOM 1164 CB GLN A 76 3.550 9.722 -6.578 1.00 0.00 C ATOM 1165 CG GLN A 76 3.925 9.518 -8.039 1.00 0.00 C ATOM 1166 CD GLN A 76 5.420 9.373 -8.250 1.00 0.00 C ATOM 1167 OE1 GLN A 76 5.959 8.265 -8.192 1.00 0.00 O ATOM 1168 NE2 GLN A 76 6.098 10.478 -8.512 1.00 0.00 N ATOM 0 H GLN A 76 3.005 10.377 -4.277 1.00 0.00 H new ATOM 0 HA GLN A 76 5.017 11.241 -6.123 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.024 8.942 -5.982 1.00 0.00 H new ATOM 0 HB3 GLN A 76 2.473 9.594 -6.471 1.00 0.00 H new ATOM 0 HG2 GLN A 76 3.422 8.628 -8.417 1.00 0.00 H new ATOM 0 HG3 GLN A 76 3.561 10.363 -8.624 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.615 11.376 -8.551 1.00 0.00 H new ATOM 0 HE22 GLN A 76 7.104 10.433 -8.675 1.00 0.00 H new ATOM 1177 N TYR A 77 1.984 12.462 -6.342 1.00 0.00 N ATOM 1178 CA TYR A 77 1.149 13.439 -6.998 1.00 0.00 C ATOM 1179 C TYR A 77 0.963 14.684 -6.142 1.00 0.00 C ATOM 1180 O TYR A 77 1.225 14.670 -4.937 1.00 0.00 O ATOM 1181 CB TYR A 77 -0.202 12.812 -7.293 1.00 0.00 C ATOM 1182 CG TYR A 77 -0.420 12.497 -8.753 1.00 0.00 C ATOM 1183 CD1 TYR A 77 0.058 11.317 -9.302 1.00 0.00 C ATOM 1184 CD2 TYR A 77 -1.102 13.379 -9.580 1.00 0.00 C ATOM 1185 CE1 TYR A 77 -0.127 11.024 -10.638 1.00 0.00 C ATOM 1186 CE2 TYR A 77 -1.292 13.094 -10.919 1.00 0.00 C ATOM 1187 CZ TYR A 77 -0.807 11.913 -11.441 1.00 0.00 C ATOM 1188 OH TYR A 77 -0.988 11.623 -12.774 1.00 0.00 O ATOM 0 H TYR A 77 1.546 12.008 -5.541 1.00 0.00 H new ATOM 0 HA TYR A 77 1.636 13.745 -7.924 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -0.301 11.894 -6.714 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.988 13.488 -6.955 1.00 0.00 H new ATOM 0 HD1 TYR A 77 0.585 10.615 -8.673 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.489 14.301 -9.171 1.00 0.00 H new ATOM 0 HE1 TYR A 77 0.259 10.104 -11.051 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -1.818 13.792 -11.553 1.00 0.00 H new ATOM 0 HH TYR A 77 -1.487 12.350 -13.202 1.00 0.00 H new ATOM 1198 N ARG A 78 0.507 15.757 -6.773 1.00 0.00 N ATOM 1199 CA ARG A 78 0.230 17.001 -6.071 1.00 0.00 C ATOM 1200 C ARG A 78 -1.196 17.003 -5.542 1.00 0.00 C ATOM 1201 O ARG A 78 -1.489 17.603 -4.514 1.00 0.00 O ATOM 1202 CB ARG A 78 0.428 18.202 -6.994 1.00 0.00 C ATOM 1203 CG ARG A 78 0.079 19.527 -6.338 1.00 0.00 C ATOM 1204 CD ARG A 78 -0.003 20.644 -7.355 1.00 0.00 C ATOM 1205 NE ARG A 78 -0.389 21.912 -6.740 1.00 0.00 N ATOM 1206 CZ ARG A 78 -0.922 22.928 -7.414 1.00 0.00 C ATOM 1207 NH1 ARG A 78 -1.106 22.844 -8.727 1.00 0.00 N ATOM 1208 NH2 ARG A 78 -1.279 24.029 -6.772 1.00 0.00 N ATOM 0 H ARG A 78 0.320 15.790 -7.775 1.00 0.00 H new ATOM 0 HA ARG A 78 0.927 17.077 -5.237 1.00 0.00 H new ATOM 0 HB2 ARG A 78 1.466 18.230 -7.325 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -0.187 18.072 -7.885 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -0.874 19.437 -5.817 1.00 0.00 H new ATOM 0 HG3 ARG A 78 0.830 19.772 -5.587 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.963 20.758 -7.848 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.726 20.380 -8.127 1.00 0.00 H new ATOM 0 HE ARG A 78 -0.242 22.025 -5.737 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -0.838 21.996 -9.226 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -1.515 23.628 -9.236 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.145 24.097 -5.763 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.688 24.809 -7.286 1.00 0.00 H new ATOM 1222 N THR A 79 -2.083 16.349 -6.269 1.00 0.00 N ATOM 1223 CA THR A 79 -3.469 16.231 -5.855 1.00 0.00 C ATOM 1224 C THR A 79 -3.665 15.052 -4.911 1.00 0.00 C ATOM 1225 O THR A 79 -3.292 13.923 -5.225 1.00 0.00 O ATOM 1226 CB THR A 79 -4.391 16.072 -7.069 1.00 0.00 C ATOM 1227 OG1 THR A 79 -3.741 15.274 -8.064 1.00 0.00 O ATOM 1228 CG2 THR A 79 -4.762 17.424 -7.651 1.00 0.00 C ATOM 0 H THR A 79 -1.867 15.889 -7.153 1.00 0.00 H new ATOM 0 HA THR A 79 -3.728 17.149 -5.328 1.00 0.00 H new ATOM 0 HB THR A 79 -5.307 15.578 -6.745 1.00 0.00 H new ATOM 0 HG1 THR A 79 -4.332 15.172 -8.839 1.00 0.00 H new ATOM 0 HG21 THR A 79 -5.417 17.283 -8.511 1.00 0.00 H new ATOM 0 HG22 THR A 79 -5.278 18.016 -6.895 1.00 0.00 H new ATOM 0 HG23 THR A 79 -3.858 17.945 -7.965 1.00 0.00 H new ATOM 1236 N GLN A 80 -4.263 15.327 -3.758 1.00 0.00 N ATOM 1237 CA GLN A 80 -4.449 14.334 -2.705 1.00 0.00 C ATOM 1238 C GLN A 80 -5.248 13.125 -3.200 1.00 0.00 C ATOM 1239 O GLN A 80 -4.933 11.985 -2.856 1.00 0.00 O ATOM 1240 CB GLN A 80 -5.160 14.983 -1.516 1.00 0.00 C ATOM 1241 CG GLN A 80 -5.081 14.187 -0.224 1.00 0.00 C ATOM 1242 CD GLN A 80 -5.835 14.857 0.911 1.00 0.00 C ATOM 1243 OE1 GLN A 80 -6.841 15.535 0.691 1.00 0.00 O ATOM 1244 NE2 GLN A 80 -5.348 14.693 2.132 1.00 0.00 N ATOM 0 H GLN A 80 -4.634 16.248 -3.525 1.00 0.00 H new ATOM 0 HA GLN A 80 -3.467 13.974 -2.399 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -4.730 15.970 -1.347 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -6.209 15.132 -1.773 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -5.488 13.189 -0.389 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -4.036 14.062 0.060 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -4.513 14.125 2.276 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -5.808 15.135 2.928 1.00 0.00 H new ATOM 1253 N GLU A 81 -6.274 13.375 -4.009 1.00 0.00 N ATOM 1254 CA GLU A 81 -7.142 12.302 -4.492 1.00 0.00 C ATOM 1255 C GLU A 81 -6.407 11.400 -5.483 1.00 0.00 C ATOM 1256 O GLU A 81 -6.437 10.175 -5.365 1.00 0.00 O ATOM 1257 CB GLU A 81 -8.402 12.875 -5.145 1.00 0.00 C ATOM 1258 CG GLU A 81 -9.414 11.812 -5.541 1.00 0.00 C ATOM 1259 CD GLU A 81 -10.601 12.375 -6.295 1.00 0.00 C ATOM 1260 OE1 GLU A 81 -11.373 13.156 -5.701 1.00 0.00 O ATOM 1261 OE2 GLU A 81 -10.779 12.027 -7.482 1.00 0.00 O ATOM 0 H GLU A 81 -6.525 14.305 -4.343 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.433 11.702 -3.630 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -8.873 13.575 -4.455 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -8.117 13.443 -6.031 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -8.921 11.062 -6.159 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -9.768 11.304 -4.644 1.00 0.00 H new ATOM 1268 N GLN A 82 -5.750 12.013 -6.456 1.00 0.00 N ATOM 1269 CA GLN A 82 -5.018 11.275 -7.474 1.00 0.00 C ATOM 1270 C GLN A 82 -3.796 10.595 -6.872 1.00 0.00 C ATOM 1271 O GLN A 82 -3.402 9.510 -7.300 1.00 0.00 O ATOM 1272 CB GLN A 82 -4.607 12.200 -8.626 1.00 0.00 C ATOM 1273 CG GLN A 82 -5.749 12.555 -9.575 1.00 0.00 C ATOM 1274 CD GLN A 82 -6.871 13.336 -8.913 1.00 0.00 C ATOM 1275 OE1 GLN A 82 -6.651 14.119 -7.985 1.00 0.00 O ATOM 1276 NE2 GLN A 82 -8.087 13.117 -9.380 1.00 0.00 N ATOM 0 H GLN A 82 -5.709 13.027 -6.562 1.00 0.00 H new ATOM 0 HA GLN A 82 -5.677 10.504 -7.873 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -4.194 13.119 -8.211 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -3.810 11.722 -9.196 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -5.352 13.139 -10.405 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.157 11.637 -9.998 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -8.228 12.462 -10.149 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -8.885 13.603 -8.972 1.00 0.00 H new ATOM 1285 N ASN A 83 -3.208 11.232 -5.870 1.00 0.00 N ATOM 1286 CA ASN A 83 -2.090 10.666 -5.145 1.00 0.00 C ATOM 1287 C ASN A 83 -2.539 9.421 -4.384 1.00 0.00 C ATOM 1288 O ASN A 83 -1.806 8.438 -4.276 1.00 0.00 O ATOM 1289 CB ASN A 83 -1.555 11.723 -4.191 1.00 0.00 C ATOM 1290 CG ASN A 83 -0.210 11.388 -3.609 1.00 0.00 C ATOM 1291 OD1 ASN A 83 0.614 10.715 -4.230 1.00 0.00 O ATOM 1292 ND2 ASN A 83 0.031 11.878 -2.417 1.00 0.00 N ATOM 0 H ASN A 83 -3.495 12.154 -5.540 1.00 0.00 H new ATOM 0 HA ASN A 83 -1.301 10.367 -5.835 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -1.486 12.674 -4.719 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -2.268 11.861 -3.378 1.00 0.00 H new ATOM 0 HD21 ASN A 83 0.931 11.707 -1.968 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -0.681 12.430 -1.939 1.00 0.00 H new ATOM 1299 N ARG A 84 -3.766 9.479 -3.867 1.00 0.00 N ATOM 1300 CA ARG A 84 -4.394 8.330 -3.222 1.00 0.00 C ATOM 1301 C ARG A 84 -4.552 7.200 -4.229 1.00 0.00 C ATOM 1302 O ARG A 84 -4.165 6.061 -3.974 1.00 0.00 O ATOM 1303 CB ARG A 84 -5.773 8.728 -2.688 1.00 0.00 C ATOM 1304 CG ARG A 84 -6.452 7.672 -1.829 1.00 0.00 C ATOM 1305 CD ARG A 84 -7.890 8.066 -1.521 1.00 0.00 C ATOM 1306 NE ARG A 84 -8.523 7.172 -0.549 1.00 0.00 N ATOM 1307 CZ ARG A 84 -9.812 6.821 -0.588 1.00 0.00 C ATOM 1308 NH1 ARG A 84 -10.572 7.176 -1.618 1.00 0.00 N ATOM 1309 NH2 ARG A 84 -10.335 6.093 0.394 1.00 0.00 N ATOM 0 H ARG A 84 -4.347 10.317 -3.884 1.00 0.00 H new ATOM 0 HA ARG A 84 -3.766 7.997 -2.396 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -5.671 9.642 -2.103 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.421 8.961 -3.533 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.436 6.712 -2.345 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -5.899 7.543 -0.899 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -7.909 9.086 -1.137 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.470 8.062 -2.444 1.00 0.00 H new ATOM 0 HE ARG A 84 -7.946 6.795 0.203 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -10.172 7.719 -2.384 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -11.555 6.906 -1.643 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -9.752 5.802 1.179 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -11.319 5.826 0.363 1.00 0.00 H new ATOM 1323 N ALA A 85 -5.127 7.543 -5.374 1.00 0.00 N ATOM 1324 CA ALA A 85 -5.363 6.588 -6.450 1.00 0.00 C ATOM 1325 C ALA A 85 -4.060 5.960 -6.939 1.00 0.00 C ATOM 1326 O ALA A 85 -4.022 4.769 -7.261 1.00 0.00 O ATOM 1327 CB ALA A 85 -6.086 7.262 -7.606 1.00 0.00 C ATOM 0 H ALA A 85 -5.443 8.490 -5.584 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.990 5.790 -6.052 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.255 6.537 -8.402 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.044 7.650 -7.259 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.478 8.083 -7.986 1.00 0.00 H new ATOM 1333 N ASP A 86 -2.999 6.762 -7.006 1.00 0.00 N ATOM 1334 CA ASP A 86 -1.681 6.261 -7.400 1.00 0.00 C ATOM 1335 C ASP A 86 -1.233 5.159 -6.458 1.00 0.00 C ATOM 1336 O ASP A 86 -0.908 4.057 -6.886 1.00 0.00 O ATOM 1337 CB ASP A 86 -0.633 7.379 -7.387 1.00 0.00 C ATOM 1338 CG ASP A 86 0.742 6.893 -7.826 1.00 0.00 C ATOM 1339 OD1 ASP A 86 0.979 6.797 -9.051 1.00 0.00 O ATOM 1340 OD2 ASP A 86 1.594 6.607 -6.954 1.00 0.00 O ATOM 0 H ASP A 86 -3.025 7.759 -6.793 1.00 0.00 H new ATOM 0 HA ASP A 86 -1.770 5.871 -8.414 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -0.958 8.185 -8.045 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -0.564 7.796 -6.382 1.00 0.00 H new ATOM 1345 N ALA A 87 -1.254 5.471 -5.173 1.00 0.00 N ATOM 1346 CA ALA A 87 -0.823 4.540 -4.141 1.00 0.00 C ATOM 1347 C ALA A 87 -1.680 3.276 -4.128 1.00 0.00 C ATOM 1348 O ALA A 87 -1.177 2.185 -3.875 1.00 0.00 O ATOM 1349 CB ALA A 87 -0.853 5.218 -2.782 1.00 0.00 C ATOM 0 H ALA A 87 -1.569 6.373 -4.816 1.00 0.00 H new ATOM 0 HA ALA A 87 0.200 4.239 -4.367 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.529 4.513 -2.016 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -0.184 6.078 -2.790 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.868 5.550 -2.563 1.00 0.00 H new ATOM 1355 N LEU A 88 -2.973 3.421 -4.405 1.00 0.00 N ATOM 1356 CA LEU A 88 -3.876 2.274 -4.451 1.00 0.00 C ATOM 1357 C LEU A 88 -3.521 1.346 -5.614 1.00 0.00 C ATOM 1358 O LEU A 88 -3.461 0.121 -5.456 1.00 0.00 O ATOM 1359 CB LEU A 88 -5.330 2.741 -4.569 1.00 0.00 C ATOM 1360 CG LEU A 88 -5.867 3.525 -3.366 1.00 0.00 C ATOM 1361 CD1 LEU A 88 -7.300 3.973 -3.617 1.00 0.00 C ATOM 1362 CD2 LEU A 88 -5.784 2.681 -2.102 1.00 0.00 C ATOM 0 H LEU A 88 -3.418 4.318 -4.600 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.762 1.716 -3.521 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.423 3.364 -5.458 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.963 1.867 -4.724 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.250 4.413 -3.229 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.664 4.528 -2.752 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -7.332 4.613 -4.499 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.931 3.099 -3.780 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.169 3.252 -1.257 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.378 1.776 -2.229 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.745 2.410 -1.913 1.00 0.00 H new ATOM 1374 N LEU A 89 -3.279 1.936 -6.777 1.00 0.00 N ATOM 1375 CA LEU A 89 -2.872 1.180 -7.953 1.00 0.00 C ATOM 1376 C LEU A 89 -1.488 0.585 -7.708 1.00 0.00 C ATOM 1377 O LEU A 89 -1.219 -0.572 -8.030 1.00 0.00 O ATOM 1378 CB LEU A 89 -2.857 2.109 -9.181 1.00 0.00 C ATOM 1379 CG LEU A 89 -2.931 1.432 -10.560 1.00 0.00 C ATOM 1380 CD1 LEU A 89 -1.637 0.706 -10.896 1.00 0.00 C ATOM 1381 CD2 LEU A 89 -4.109 0.474 -10.614 1.00 0.00 C ATOM 0 H LEU A 89 -3.358 2.941 -6.931 1.00 0.00 H new ATOM 0 HA LEU A 89 -3.576 0.370 -8.142 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.696 2.800 -9.096 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.947 2.707 -9.144 1.00 0.00 H new ATOM 0 HG LEU A 89 -3.075 2.212 -11.308 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.726 0.240 -11.877 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.812 1.418 -10.906 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.445 -0.061 -10.146 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.149 0.002 -11.596 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.991 -0.292 -9.848 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.033 1.024 -10.438 1.00 0.00 H new ATOM 1393 N ARG A 90 -0.631 1.389 -7.103 1.00 0.00 N ATOM 1394 CA ARG A 90 0.736 1.002 -6.801 1.00 0.00 C ATOM 1395 C ARG A 90 0.767 -0.177 -5.829 1.00 0.00 C ATOM 1396 O ARG A 90 1.566 -1.099 -5.986 1.00 0.00 O ATOM 1397 CB ARG A 90 1.469 2.199 -6.201 1.00 0.00 C ATOM 1398 CG ARG A 90 2.896 2.344 -6.672 1.00 0.00 C ATOM 1399 CD ARG A 90 3.476 3.674 -6.234 1.00 0.00 C ATOM 1400 NE ARG A 90 4.800 3.900 -6.804 1.00 0.00 N ATOM 1401 CZ ARG A 90 5.171 5.038 -7.387 1.00 0.00 C ATOM 1402 NH1 ARG A 90 4.308 6.040 -7.522 1.00 0.00 N ATOM 1403 NH2 ARG A 90 6.404 5.165 -7.862 1.00 0.00 N ATOM 0 H ARG A 90 -0.866 2.336 -6.805 1.00 0.00 H new ATOM 0 HA ARG A 90 1.230 0.689 -7.721 1.00 0.00 H new ATOM 0 HB2 ARG A 90 0.921 3.109 -6.448 1.00 0.00 H new ATOM 0 HB3 ARG A 90 1.463 2.109 -5.115 1.00 0.00 H new ATOM 0 HG2 ARG A 90 3.500 1.530 -6.272 1.00 0.00 H new ATOM 0 HG3 ARG A 90 2.935 2.266 -7.758 1.00 0.00 H new ATOM 0 HD2 ARG A 90 2.807 4.480 -6.537 1.00 0.00 H new ATOM 0 HD3 ARG A 90 3.538 3.703 -5.146 1.00 0.00 H new ATOM 0 HE ARG A 90 5.481 3.142 -6.753 1.00 0.00 H new ATOM 0 HH11 ARG A 90 3.353 5.940 -7.178 1.00 0.00 H new ATOM 0 HH12 ARG A 90 4.601 6.908 -7.970 1.00 0.00 H new ATOM 0 HH21 ARG A 90 7.064 4.392 -7.780 1.00 0.00 H new ATOM 0 HH22 ARG A 90 6.691 6.036 -8.309 1.00 0.00 H new ATOM 1417 N LEU A 91 -0.113 -0.132 -4.833 1.00 0.00 N ATOM 1418 CA LEU A 91 -0.206 -1.187 -3.827 1.00 0.00 C ATOM 1419 C LEU A 91 -0.584 -2.510 -4.466 1.00 0.00 C ATOM 1420 O LEU A 91 0.091 -3.518 -4.279 1.00 0.00 O ATOM 1421 CB LEU A 91 -1.255 -0.818 -2.775 1.00 0.00 C ATOM 1422 CG LEU A 91 -1.388 -1.795 -1.603 1.00 0.00 C ATOM 1423 CD1 LEU A 91 -0.092 -1.865 -0.814 1.00 0.00 C ATOM 1424 CD2 LEU A 91 -2.545 -1.386 -0.702 1.00 0.00 C ATOM 0 H LEU A 91 -0.777 0.630 -4.700 1.00 0.00 H new ATOM 0 HA LEU A 91 0.770 -1.289 -3.353 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.014 0.168 -2.377 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.224 -0.735 -3.267 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.596 -2.788 -2.002 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.207 -2.564 0.014 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.713 -2.204 -1.466 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.150 -0.877 -0.423 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.627 -2.090 0.126 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.365 -0.384 -0.311 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.472 -1.391 -1.275 1.00 0.00 H new ATOM 1436 N SER A 92 -1.659 -2.487 -5.235 1.00 0.00 N ATOM 1437 CA SER A 92 -2.160 -3.690 -5.885 1.00 0.00 C ATOM 1438 C SER A 92 -1.136 -4.254 -6.866 1.00 0.00 C ATOM 1439 O SER A 92 -0.939 -5.468 -6.946 1.00 0.00 O ATOM 1440 CB SER A 92 -3.490 -3.397 -6.580 1.00 0.00 C ATOM 1441 OG SER A 92 -3.433 -2.196 -7.331 1.00 0.00 O ATOM 0 H SER A 92 -2.204 -1.647 -5.426 1.00 0.00 H new ATOM 0 HA SER A 92 -2.330 -4.450 -5.122 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.748 -4.227 -7.238 1.00 0.00 H new ATOM 0 HB3 SER A 92 -4.282 -3.324 -5.835 1.00 0.00 H new ATOM 0 HG SER A 92 -2.506 -1.880 -7.373 1.00 0.00 H new ATOM 1447 N GLU A 93 -0.480 -3.362 -7.591 1.00 0.00 N ATOM 1448 CA GLU A 93 0.595 -3.738 -8.496 1.00 0.00 C ATOM 1449 C GLU A 93 1.707 -4.434 -7.725 1.00 0.00 C ATOM 1450 O GLU A 93 2.142 -5.521 -8.092 1.00 0.00 O ATOM 1451 CB GLU A 93 1.126 -2.485 -9.199 1.00 0.00 C ATOM 1452 CG GLU A 93 2.109 -2.746 -10.324 1.00 0.00 C ATOM 1453 CD GLU A 93 3.555 -2.678 -9.879 1.00 0.00 C ATOM 1454 OE1 GLU A 93 4.054 -1.557 -9.631 1.00 0.00 O ATOM 1455 OE2 GLU A 93 4.199 -3.736 -9.781 1.00 0.00 O ATOM 0 H GLU A 93 -0.676 -2.361 -7.569 1.00 0.00 H new ATOM 0 HA GLU A 93 0.216 -4.432 -9.246 1.00 0.00 H new ATOM 0 HB2 GLU A 93 0.280 -1.926 -9.599 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.607 -1.848 -8.457 1.00 0.00 H new ATOM 0 HG2 GLU A 93 1.912 -3.730 -10.749 1.00 0.00 H new ATOM 0 HG3 GLU A 93 1.945 -2.017 -11.118 1.00 0.00 H new ATOM 1462 N LEU A 94 2.125 -3.809 -6.632 1.00 0.00 N ATOM 1463 CA LEU A 94 3.204 -4.334 -5.803 1.00 0.00 C ATOM 1464 C LEU A 94 2.849 -5.721 -5.268 1.00 0.00 C ATOM 1465 O LEU A 94 3.671 -6.631 -5.303 1.00 0.00 O ATOM 1466 CB LEU A 94 3.489 -3.360 -4.648 1.00 0.00 C ATOM 1467 CG LEU A 94 4.853 -3.501 -3.945 1.00 0.00 C ATOM 1468 CD1 LEU A 94 4.902 -4.734 -3.050 1.00 0.00 C ATOM 1469 CD2 LEU A 94 5.980 -3.541 -4.968 1.00 0.00 C ATOM 0 H LEU A 94 1.730 -2.931 -6.296 1.00 0.00 H new ATOM 0 HA LEU A 94 4.103 -4.432 -6.412 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.408 -2.343 -5.032 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.706 -3.481 -3.899 1.00 0.00 H new ATOM 0 HG LEU A 94 4.986 -2.626 -3.309 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.880 -4.798 -2.572 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.129 -4.660 -2.285 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.733 -5.627 -3.651 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.935 -3.641 -4.453 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.836 -4.391 -5.634 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.976 -2.619 -5.550 1.00 0.00 H new ATOM 1481 N ILE A 95 1.614 -5.878 -4.794 1.00 0.00 N ATOM 1482 CA ILE A 95 1.166 -7.148 -4.216 1.00 0.00 C ATOM 1483 C ILE A 95 1.279 -8.286 -5.225 1.00 0.00 C ATOM 1484 O ILE A 95 1.819 -9.349 -4.918 1.00 0.00 O ATOM 1485 CB ILE A 95 -0.293 -7.064 -3.704 1.00 0.00 C ATOM 1486 CG1 ILE A 95 -0.404 -6.032 -2.579 1.00 0.00 C ATOM 1487 CG2 ILE A 95 -0.778 -8.429 -3.222 1.00 0.00 C ATOM 1488 CD1 ILE A 95 -1.817 -5.829 -2.077 1.00 0.00 C ATOM 0 H ILE A 95 0.906 -5.144 -4.798 1.00 0.00 H new ATOM 0 HA ILE A 95 1.822 -7.352 -3.370 1.00 0.00 H new ATOM 0 HB ILE A 95 -0.928 -6.749 -4.532 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.226 -6.346 -1.747 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.013 -5.078 -2.933 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -1.805 -8.346 -2.867 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.735 -9.142 -4.045 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -0.140 -8.775 -2.409 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.817 -5.084 -1.281 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -2.448 -5.485 -2.896 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -2.205 -6.772 -1.691 1.00 0.00 H new ATOM 1500 N VAL A 96 0.785 -8.057 -6.434 1.00 0.00 N ATOM 1501 CA VAL A 96 0.817 -9.080 -7.469 1.00 0.00 C ATOM 1502 C VAL A 96 2.241 -9.288 -7.977 1.00 0.00 C ATOM 1503 O VAL A 96 2.670 -10.416 -8.218 1.00 0.00 O ATOM 1504 CB VAL A 96 -0.103 -8.717 -8.654 1.00 0.00 C ATOM 1505 CG1 VAL A 96 -0.102 -9.825 -9.700 1.00 0.00 C ATOM 1506 CG2 VAL A 96 -1.517 -8.442 -8.164 1.00 0.00 C ATOM 0 H VAL A 96 0.359 -7.176 -6.721 1.00 0.00 H new ATOM 0 HA VAL A 96 0.454 -10.004 -7.020 1.00 0.00 H new ATOM 0 HB VAL A 96 0.283 -7.811 -9.122 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -0.757 -9.547 -10.525 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.911 -9.971 -10.074 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.459 -10.751 -9.249 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.153 -8.188 -9.012 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.910 -9.330 -7.669 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.503 -7.611 -7.459 1.00 0.00 H new ATOM 1516 N ASN A 97 2.972 -8.189 -8.117 1.00 0.00 N ATOM 1517 CA ASN A 97 4.347 -8.225 -8.604 1.00 0.00 C ATOM 1518 C ASN A 97 5.230 -9.013 -7.646 1.00 0.00 C ATOM 1519 O ASN A 97 6.071 -9.806 -8.065 1.00 0.00 O ATOM 1520 CB ASN A 97 4.874 -6.799 -8.740 1.00 0.00 C ATOM 1521 CG ASN A 97 5.969 -6.656 -9.775 1.00 0.00 C ATOM 1522 OD1 ASN A 97 6.772 -7.562 -10.000 1.00 0.00 O ATOM 1523 ND2 ASN A 97 5.989 -5.506 -10.420 1.00 0.00 N ATOM 0 H ASN A 97 2.632 -7.253 -7.898 1.00 0.00 H new ATOM 0 HA ASN A 97 4.366 -8.716 -9.577 1.00 0.00 H new ATOM 0 HB2 ASN A 97 4.048 -6.138 -9.003 1.00 0.00 H new ATOM 0 HB3 ASN A 97 5.253 -6.466 -7.774 1.00 0.00 H new ATOM 0 HD21 ASN A 97 6.691 -5.338 -11.141 1.00 0.00 H new ATOM 0 HD22 ASN A 97 5.302 -4.785 -10.198 1.00 0.00 H new ATOM 1530 N ALA A 98 5.017 -8.798 -6.358 1.00 0.00 N ATOM 1531 CA ALA A 98 5.766 -9.496 -5.327 1.00 0.00 C ATOM 1532 C ALA A 98 5.427 -10.983 -5.317 1.00 0.00 C ATOM 1533 O ALA A 98 6.277 -11.820 -5.023 1.00 0.00 O ATOM 1534 CB ALA A 98 5.487 -8.876 -3.969 1.00 0.00 C ATOM 0 H ALA A 98 4.325 -8.140 -6.000 1.00 0.00 H new ATOM 0 HA ALA A 98 6.829 -9.396 -5.548 1.00 0.00 H new ATOM 0 HB1 ALA A 98 6.053 -9.407 -3.204 1.00 0.00 H new ATOM 0 HB2 ALA A 98 5.785 -7.828 -3.980 1.00 0.00 H new ATOM 0 HB3 ALA A 98 4.422 -8.948 -3.748 1.00 0.00 H new ATOM 1540 N ALA A 99 4.183 -11.306 -5.656 1.00 0.00 N ATOM 1541 CA ALA A 99 3.745 -12.696 -5.728 1.00 0.00 C ATOM 1542 C ALA A 99 4.399 -13.410 -6.906 1.00 0.00 C ATOM 1543 O ALA A 99 4.538 -14.633 -6.911 1.00 0.00 O ATOM 1544 CB ALA A 99 2.230 -12.773 -5.833 1.00 0.00 C ATOM 0 H ALA A 99 3.460 -10.624 -5.885 1.00 0.00 H new ATOM 0 HA ALA A 99 4.054 -13.198 -4.811 1.00 0.00 H new ATOM 0 HB1 ALA A 99 1.922 -13.817 -5.886 1.00 0.00 H new ATOM 0 HB2 ALA A 99 1.780 -12.306 -4.957 1.00 0.00 H new ATOM 0 HB3 ALA A 99 1.901 -12.252 -6.732 1.00 0.00 H new ATOM 1550 N LYS A 100 4.805 -12.632 -7.903 1.00 0.00 N ATOM 1551 CA LYS A 100 5.504 -13.168 -9.067 1.00 0.00 C ATOM 1552 C LYS A 100 6.922 -13.572 -8.694 1.00 0.00 C ATOM 1553 O LYS A 100 7.561 -14.373 -9.377 1.00 0.00 O ATOM 1554 CB LYS A 100 5.550 -12.131 -10.191 1.00 0.00 C ATOM 1555 CG LYS A 100 4.184 -11.717 -10.711 1.00 0.00 C ATOM 1556 CD LYS A 100 4.293 -10.560 -11.694 1.00 0.00 C ATOM 1557 CE LYS A 100 5.178 -10.918 -12.879 1.00 0.00 C ATOM 1558 NZ LYS A 100 5.298 -9.797 -13.847 1.00 0.00 N ATOM 0 H LYS A 100 4.661 -11.622 -7.929 1.00 0.00 H new ATOM 0 HA LYS A 100 4.959 -14.046 -9.414 1.00 0.00 H new ATOM 0 HB2 LYS A 100 6.074 -11.245 -9.832 1.00 0.00 H new ATOM 0 HB3 LYS A 100 6.135 -12.534 -11.018 1.00 0.00 H new ATOM 0 HG2 LYS A 100 3.705 -12.567 -11.198 1.00 0.00 H new ATOM 0 HG3 LYS A 100 3.547 -11.428 -9.875 1.00 0.00 H new ATOM 0 HD2 LYS A 100 3.299 -10.288 -12.050 1.00 0.00 H new ATOM 0 HD3 LYS A 100 4.700 -9.686 -11.185 1.00 0.00 H new ATOM 0 HE2 LYS A 100 6.170 -11.194 -12.520 1.00 0.00 H new ATOM 0 HE3 LYS A 100 4.768 -11.792 -13.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 5.909 -10.085 -14.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 4.355 -9.550 -14.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 5.713 -8.971 -13.371 1.00 0.00 H new ATOM 1572 N LEU A 101 7.406 -13.006 -7.608 1.00 0.00 N ATOM 1573 CA LEU A 101 8.745 -13.261 -7.137 1.00 0.00 C ATOM 1574 C LEU A 101 8.719 -14.284 -6.010 1.00 0.00 C ATOM 1575 O LEU A 101 7.751 -14.364 -5.255 1.00 0.00 O ATOM 1576 CB LEU A 101 9.372 -11.956 -6.650 1.00 0.00 C ATOM 1577 CG LEU A 101 9.467 -10.842 -7.697 1.00 0.00 C ATOM 1578 CD1 LEU A 101 10.060 -9.585 -7.083 1.00 0.00 C ATOM 1579 CD2 LEU A 101 10.293 -11.296 -8.888 1.00 0.00 C ATOM 0 H LEU A 101 6.878 -12.355 -7.028 1.00 0.00 H new ATOM 0 HA LEU A 101 9.343 -13.662 -7.955 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.792 -11.588 -5.804 1.00 0.00 H new ATOM 0 HB3 LEU A 101 10.375 -12.170 -6.280 1.00 0.00 H new ATOM 0 HG LEU A 101 8.461 -10.612 -8.047 1.00 0.00 H new ATOM 0 HD11 LEU A 101 10.120 -8.804 -7.841 1.00 0.00 H new ATOM 0 HD12 LEU A 101 9.427 -9.247 -6.263 1.00 0.00 H new ATOM 0 HD13 LEU A 101 11.059 -9.801 -6.705 1.00 0.00 H new ATOM 0 HD21 LEU A 101 10.349 -10.491 -9.620 1.00 0.00 H new ATOM 0 HD22 LEU A 101 11.298 -11.555 -8.556 1.00 0.00 H new ATOM 0 HD23 LEU A 101 9.826 -12.169 -9.343 1.00 0.00 H new ATOM 1591 N GLU A 102 9.767 -15.082 -5.918 1.00 0.00 N ATOM 1592 CA GLU A 102 9.907 -16.031 -4.827 1.00 0.00 C ATOM 1593 C GLU A 102 10.707 -15.395 -3.697 1.00 0.00 C ATOM 1594 O GLU A 102 10.333 -15.466 -2.526 1.00 0.00 O ATOM 1595 CB GLU A 102 10.599 -17.301 -5.319 1.00 0.00 C ATOM 1596 CG GLU A 102 10.819 -18.345 -4.237 1.00 0.00 C ATOM 1597 CD GLU A 102 11.538 -19.571 -4.754 1.00 0.00 C ATOM 1598 OE1 GLU A 102 12.722 -19.457 -5.141 1.00 0.00 O ATOM 1599 OE2 GLU A 102 10.929 -20.659 -4.767 1.00 0.00 O ATOM 0 H GLU A 102 10.536 -15.092 -6.588 1.00 0.00 H new ATOM 0 HA GLU A 102 8.918 -16.299 -4.455 1.00 0.00 H new ATOM 0 HB2 GLU A 102 10.002 -17.741 -6.118 1.00 0.00 H new ATOM 0 HB3 GLU A 102 11.563 -17.033 -5.752 1.00 0.00 H new ATOM 0 HG2 GLU A 102 11.396 -17.905 -3.424 1.00 0.00 H new ATOM 0 HG3 GLU A 102 9.856 -18.641 -3.821 1.00 0.00 H new ATOM 1606 N HIS A 103 11.818 -14.781 -4.076 1.00 0.00 N ATOM 1607 CA HIS A 103 12.662 -14.040 -3.149 1.00 0.00 C ATOM 1608 C HIS A 103 13.472 -13.016 -3.935 1.00 0.00 C ATOM 1609 O HIS A 103 13.567 -11.850 -3.547 1.00 0.00 O ATOM 1610 CB HIS A 103 13.600 -14.990 -2.382 1.00 0.00 C ATOM 1611 CG HIS A 103 14.505 -14.301 -1.394 1.00 0.00 C ATOM 1612 ND1 HIS A 103 14.286 -14.312 -0.033 1.00 0.00 N ATOM 1613 CD2 HIS A 103 15.640 -13.583 -1.582 1.00 0.00 C ATOM 1614 CE1 HIS A 103 15.246 -13.634 0.570 1.00 0.00 C ATOM 1615 NE2 HIS A 103 16.080 -13.181 -0.347 1.00 0.00 N ATOM 0 H HIS A 103 12.161 -14.782 -5.037 1.00 0.00 H new ATOM 0 HA HIS A 103 12.034 -13.532 -2.417 1.00 0.00 H new ATOM 0 HB2 HIS A 103 12.997 -15.728 -1.852 1.00 0.00 H new ATOM 0 HB3 HIS A 103 14.213 -15.535 -3.100 1.00 0.00 H new ATOM 0 HD2 HIS A 103 16.111 -13.367 -2.530 1.00 0.00 H new ATOM 0 HE1 HIS A 103 15.334 -13.477 1.635 1.00 0.00 H new ATOM 0 HE2 HIS A 103 16.915 -12.623 -0.167 1.00 0.00 H new ATOM 1624 N HIS A 104 14.043 -13.478 -5.047 1.00 0.00 N ATOM 1625 CA HIS A 104 14.851 -12.644 -5.928 1.00 0.00 C ATOM 1626 C HIS A 104 15.984 -11.998 -5.136 1.00 0.00 C ATOM 1627 O HIS A 104 16.772 -12.699 -4.506 1.00 0.00 O ATOM 1628 CB HIS A 104 13.980 -11.585 -6.621 1.00 0.00 C ATOM 1629 CG HIS A 104 14.237 -11.467 -8.093 1.00 0.00 C ATOM 1630 ND1 HIS A 104 13.827 -12.418 -9.002 1.00 0.00 N ATOM 1631 CD2 HIS A 104 14.855 -10.503 -8.816 1.00 0.00 C ATOM 1632 CE1 HIS A 104 14.181 -12.045 -10.217 1.00 0.00 C ATOM 1633 NE2 HIS A 104 14.806 -10.886 -10.136 1.00 0.00 N ATOM 0 H HIS A 104 13.956 -14.445 -5.361 1.00 0.00 H new ATOM 0 HA HIS A 104 15.289 -13.269 -6.706 1.00 0.00 H new ATOM 0 HB2 HIS A 104 12.930 -11.830 -6.462 1.00 0.00 H new ATOM 0 HB3 HIS A 104 14.156 -10.617 -6.151 1.00 0.00 H new ATOM 0 HD2 HIS A 104 15.303 -9.600 -8.428 1.00 0.00 H new ATOM 0 HE1 HIS A 104 13.991 -12.596 -11.126 1.00 0.00 H new ATOM 0 HE2 HIS A 104 15.189 -10.361 -10.922 1.00 0.00 H new ATOM 1642 N HIS A 105 16.057 -10.672 -5.153 1.00 0.00 N ATOM 1643 CA HIS A 105 17.055 -9.948 -4.377 1.00 0.00 C ATOM 1644 C HIS A 105 16.817 -8.451 -4.473 1.00 0.00 C ATOM 1645 O HIS A 105 16.529 -7.931 -5.551 1.00 0.00 O ATOM 1646 CB HIS A 105 18.491 -10.287 -4.820 1.00 0.00 C ATOM 1647 CG HIS A 105 18.752 -10.135 -6.289 1.00 0.00 C ATOM 1648 ND1 HIS A 105 19.124 -8.944 -6.874 1.00 0.00 N ATOM 1649 CD2 HIS A 105 18.698 -11.041 -7.293 1.00 0.00 C ATOM 1650 CE1 HIS A 105 19.285 -9.121 -8.171 1.00 0.00 C ATOM 1651 NE2 HIS A 105 19.033 -10.386 -8.449 1.00 0.00 N ATOM 0 H HIS A 105 15.434 -10.075 -5.698 1.00 0.00 H new ATOM 0 HA HIS A 105 16.949 -10.264 -3.339 1.00 0.00 H new ATOM 0 HB2 HIS A 105 19.184 -9.647 -4.275 1.00 0.00 H new ATOM 0 HB3 HIS A 105 18.712 -11.315 -4.531 1.00 0.00 H new ATOM 0 HD2 HIS A 105 18.439 -12.085 -7.200 1.00 0.00 H new ATOM 0 HE1 HIS A 105 19.573 -8.362 -8.883 1.00 0.00 H new ATOM 0 HE2 HIS A 105 19.080 -10.809 -9.376 1.00 0.00 H new ATOM 1660 N HIS A 106 16.907 -7.779 -3.338 1.00 0.00 N ATOM 1661 CA HIS A 106 16.784 -6.330 -3.277 1.00 0.00 C ATOM 1662 C HIS A 106 17.843 -5.797 -2.317 1.00 0.00 C ATOM 1663 O HIS A 106 17.552 -5.053 -1.380 1.00 0.00 O ATOM 1664 CB HIS A 106 15.370 -5.923 -2.825 1.00 0.00 C ATOM 1665 CG HIS A 106 15.046 -4.464 -3.029 1.00 0.00 C ATOM 1666 ND1 HIS A 106 13.762 -3.951 -2.976 1.00 0.00 N ATOM 1667 CD2 HIS A 106 15.852 -3.403 -3.280 1.00 0.00 C ATOM 1668 CE1 HIS A 106 13.800 -2.648 -3.185 1.00 0.00 C ATOM 1669 NE2 HIS A 106 15.054 -2.295 -3.371 1.00 0.00 N ATOM 0 H HIS A 106 17.067 -8.221 -2.433 1.00 0.00 H new ATOM 0 HA HIS A 106 16.941 -5.901 -4.267 1.00 0.00 H new ATOM 0 HB2 HIS A 106 14.641 -6.524 -3.369 1.00 0.00 H new ATOM 0 HB3 HIS A 106 15.256 -6.163 -1.768 1.00 0.00 H new ATOM 0 HD1 HIS A 106 12.917 -4.495 -2.802 1.00 0.00 H new ATOM 0 HD2 HIS A 106 16.926 -3.428 -3.388 1.00 0.00 H new ATOM 0 HE1 HIS A 106 12.948 -1.985 -3.201 1.00 0.00 H new ATOM 1678 N HIS A 107 19.082 -6.199 -2.563 1.00 0.00 N ATOM 1679 CA HIS A 107 20.197 -5.822 -1.708 1.00 0.00 C ATOM 1680 C HIS A 107 20.553 -4.357 -1.928 1.00 0.00 C ATOM 1681 O HIS A 107 20.925 -3.951 -3.029 1.00 0.00 O ATOM 1682 CB HIS A 107 21.414 -6.720 -1.977 1.00 0.00 C ATOM 1683 CG HIS A 107 22.537 -6.527 -1.000 1.00 0.00 C ATOM 1684 ND1 HIS A 107 23.860 -6.453 -1.376 1.00 0.00 N ATOM 1685 CD2 HIS A 107 22.525 -6.414 0.349 1.00 0.00 C ATOM 1686 CE1 HIS A 107 24.612 -6.299 -0.302 1.00 0.00 C ATOM 1687 NE2 HIS A 107 23.825 -6.272 0.760 1.00 0.00 N ATOM 0 H HIS A 107 19.341 -6.790 -3.353 1.00 0.00 H new ATOM 0 HA HIS A 107 19.900 -5.957 -0.668 1.00 0.00 H new ATOM 0 HB2 HIS A 107 21.097 -7.763 -1.951 1.00 0.00 H new ATOM 0 HB3 HIS A 107 21.783 -6.524 -2.984 1.00 0.00 H new ATOM 0 HD2 HIS A 107 21.652 -6.432 0.984 1.00 0.00 H new ATOM 0 HE1 HIS A 107 25.688 -6.210 -0.292 1.00 0.00 H new ATOM 0 HE2 HIS A 107 24.134 -6.163 1.726 1.00 0.00 H new ATOM 1696 N HIS A 108 20.424 -3.571 -0.877 1.00 0.00 N ATOM 1697 CA HIS A 108 20.699 -2.144 -0.944 1.00 0.00 C ATOM 1698 C HIS A 108 21.853 -1.797 -0.016 1.00 0.00 C ATOM 1699 O HIS A 108 22.862 -1.250 -0.504 1.00 0.00 O ATOM 1700 CB HIS A 108 19.444 -1.320 -0.597 1.00 0.00 C ATOM 1701 CG HIS A 108 18.820 -1.659 0.729 1.00 0.00 C ATOM 1702 ND1 HIS A 108 18.856 -0.820 1.820 1.00 0.00 N ATOM 1703 CD2 HIS A 108 18.129 -2.757 1.125 1.00 0.00 C ATOM 1704 CE1 HIS A 108 18.219 -1.385 2.830 1.00 0.00 C ATOM 1705 NE2 HIS A 108 17.771 -2.562 2.433 1.00 0.00 N ATOM 1706 OXT HIS A 108 21.766 -2.133 1.182 1.00 0.00 O ATOM 0 H HIS A 108 20.128 -3.898 0.043 1.00 0.00 H new ATOM 0 HA HIS A 108 20.983 -1.891 -1.966 1.00 0.00 H new ATOM 0 HB2 HIS A 108 19.707 -0.262 -0.600 1.00 0.00 H new ATOM 0 HB3 HIS A 108 18.701 -1.466 -1.381 1.00 0.00 H new ATOM 0 HD2 HIS A 108 17.903 -3.624 0.522 1.00 0.00 H new ATOM 0 HE1 HIS A 108 18.087 -0.957 3.813 1.00 0.00 H new ATOM 0 HE2 HIS A 108 17.244 -3.220 3.007 1.00 0.00 H new TER 1715 HIS A 108