USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 763 hydrogens (33 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 96 SER OG : rot -132:sc= 0.426 USER MOD Set 1.2: A 111 THR OG1 : rot -179:sc= 0.451 USER MOD Set 2.1: A 88 GLN : amide:sc= -0.0582 K(o=-2.3,f=-2.9) USER MOD Set 2.2: A 101 MET CE :methyl -172:sc= -2.24 (180deg=-2.34) USER MOD Set 3.1: A 72 HIS : no HD1:sc= 0.411 K(o=1.1,f=-1.7) USER MOD Set 3.2: A 91 SER OG : rot 109:sc= 0.657 USER MOD Set 4.1: A 61 MET CE :methyl -166:sc= -0.145 (180deg=-0.252) USER MOD Set 4.2: A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 25 ASN : amide:sc=-0.00454 X(o=-0.0045,f=-0.0045) USER MOD Single : A 26 GLN : amide:sc= 1.49 K(o=1.5,f=-0.16) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc=-0.000978 X(o=-0.00098,f=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.167 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -112:sc= -0.474 (180deg=-1.89) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0.611 K(o=0.61,f=0) USER MOD Single : A 59 TYR OH : rot 148:sc= 1.19 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0.575 K(o=0.57,f=-0.15) USER MOD Single : A 68 GLN : amide:sc= 0.763 K(o=0.76,f=-0.039) USER MOD Single : A 69 GLN : amide:sc= 0.255 X(o=0.26,f=0) USER MOD Single : A 71 GLN : amide:sc= 0.554 K(o=0.55,f=-0.059) USER MOD Single : A 73 MET CE :methyl -149:sc=-0.00396 (180deg=-0.00539) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 180:sc= -0.234 USER MOD Single : A 89 SER OG : rot -124:sc= 0.593 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 157:sc= 1.26 (180deg=1.11) USER MOD Single : A 105 ASN : amide:sc= -0.11 K(o=-0.11,f=-1.3) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.157 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 23 6.103 8.673 12.967 1.00 0.00 N ATOM 2 CA GLN A 23 6.849 8.765 11.708 1.00 0.00 C ATOM 3 C GLN A 23 6.678 7.505 10.833 1.00 0.00 C ATOM 4 O GLN A 23 6.391 6.412 11.335 1.00 0.00 O ATOM 5 CB GLN A 23 8.340 9.025 11.994 1.00 0.00 C ATOM 6 CG GLN A 23 8.590 10.381 12.681 1.00 0.00 C ATOM 7 CD GLN A 23 10.069 10.675 12.951 1.00 0.00 C ATOM 8 OE1 GLN A 23 10.973 9.892 12.678 1.00 0.00 O ATOM 9 NE2 GLN A 23 10.381 11.828 13.509 1.00 0.00 N ATOM 0 HA GLN A 23 6.438 9.603 11.145 1.00 0.00 H new ATOM 0 HB2 GLN A 23 8.728 8.226 12.626 1.00 0.00 H new ATOM 0 HB3 GLN A 23 8.896 8.990 11.057 1.00 0.00 H new ATOM 0 HG2 GLN A 23 8.180 11.175 12.057 1.00 0.00 H new ATOM 0 HG3 GLN A 23 8.046 10.405 13.625 1.00 0.00 H new ATOM 0 HE21 GLN A 23 9.647 12.496 13.745 1.00 0.00 H new ATOM 0 HE22 GLN A 23 11.357 12.053 13.704 1.00 0.00 H new ATOM 18 N ILE A 24 6.872 7.651 9.517 1.00 0.00 N ATOM 19 CA ILE A 24 6.821 6.588 8.522 1.00 0.00 C ATOM 20 C ILE A 24 8.027 5.627 8.594 1.00 0.00 C ATOM 21 O ILE A 24 9.078 5.953 9.149 1.00 0.00 O ATOM 22 CB ILE A 24 6.644 7.238 7.129 1.00 0.00 C ATOM 23 CG1 ILE A 24 7.446 8.523 6.802 1.00 0.00 C ATOM 24 CG2 ILE A 24 5.153 7.528 6.889 1.00 0.00 C ATOM 25 CD1 ILE A 24 8.970 8.398 6.909 1.00 0.00 C ATOM 0 H ILE A 24 7.078 8.560 9.103 1.00 0.00 H new ATOM 0 HA ILE A 24 5.966 5.945 8.730 1.00 0.00 H new ATOM 0 HB ILE A 24 7.067 6.488 6.460 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.196 8.838 5.789 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.116 9.316 7.473 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.025 7.986 5.908 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.590 6.596 6.931 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.786 8.208 7.658 1.00 0.00 H new ATOM 0 HD11 ILE A 24 9.432 9.353 6.660 1.00 0.00 H new ATOM 0 HD12 ILE A 24 9.242 8.118 7.927 1.00 0.00 H new ATOM 0 HD13 ILE A 24 9.322 7.633 6.217 1.00 0.00 H new ATOM 37 N ASN A 25 7.876 4.429 8.013 1.00 0.00 N ATOM 38 CA ASN A 25 8.909 3.377 8.010 1.00 0.00 C ATOM 39 C ASN A 25 9.997 3.563 6.928 1.00 0.00 C ATOM 40 O ASN A 25 11.037 2.902 6.951 1.00 0.00 O ATOM 41 CB ASN A 25 8.187 2.019 7.922 1.00 0.00 C ATOM 42 CG ASN A 25 9.116 0.824 8.084 1.00 0.00 C ATOM 43 OD1 ASN A 25 9.427 0.112 7.138 1.00 0.00 O ATOM 44 ND2 ASN A 25 9.578 0.553 9.286 1.00 0.00 N ATOM 0 H ASN A 25 7.023 4.157 7.525 1.00 0.00 H new ATOM 0 HA ASN A 25 9.480 3.435 8.937 1.00 0.00 H new ATOM 0 HB2 ASN A 25 7.416 1.976 8.691 1.00 0.00 H new ATOM 0 HB3 ASN A 25 7.681 1.948 6.959 1.00 0.00 H new ATOM 0 HD21 ASN A 25 10.193 -0.248 9.427 1.00 0.00 H new ATOM 0 HD22 ASN A 25 9.321 1.144 10.076 1.00 0.00 H new ATOM 51 N GLN A 26 9.766 4.482 5.989 1.00 0.00 N ATOM 52 CA GLN A 26 10.645 4.846 4.893 1.00 0.00 C ATOM 53 C GLN A 26 11.935 5.566 5.335 1.00 0.00 C ATOM 54 O GLN A 26 12.046 6.086 6.447 1.00 0.00 O ATOM 55 CB GLN A 26 9.804 5.649 3.889 1.00 0.00 C ATOM 56 CG GLN A 26 9.263 4.716 2.786 1.00 0.00 C ATOM 57 CD GLN A 26 10.380 4.172 1.911 1.00 0.00 C ATOM 58 OE1 GLN A 26 10.539 2.979 1.700 1.00 0.00 O ATOM 59 NE2 GLN A 26 11.209 5.056 1.410 1.00 0.00 N ATOM 0 H GLN A 26 8.901 5.023 5.980 1.00 0.00 H new ATOM 0 HA GLN A 26 11.032 3.944 4.419 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.975 6.135 4.404 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.410 6.438 3.444 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.723 3.887 3.243 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.549 5.260 2.168 1.00 0.00 H new ATOM 0 HE21 GLN A 26 11.067 6.049 1.593 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.996 4.750 0.838 1.00 0.00 H new ATOM 68 N VAL A 27 12.917 5.582 4.428 1.00 0.00 N ATOM 69 CA VAL A 27 14.320 6.001 4.674 1.00 0.00 C ATOM 70 C VAL A 27 14.859 6.983 3.614 1.00 0.00 C ATOM 71 O VAL A 27 14.195 7.257 2.613 1.00 0.00 O ATOM 72 CB VAL A 27 15.246 4.769 4.836 1.00 0.00 C ATOM 73 CG1 VAL A 27 14.803 3.864 5.992 1.00 0.00 C ATOM 74 CG2 VAL A 27 15.353 3.923 3.564 1.00 0.00 C ATOM 0 H VAL A 27 12.761 5.294 3.462 1.00 0.00 H new ATOM 0 HA VAL A 27 14.317 6.554 5.613 1.00 0.00 H new ATOM 0 HB VAL A 27 16.229 5.187 5.054 1.00 0.00 H new ATOM 0 HG11 VAL A 27 15.480 3.014 6.068 1.00 0.00 H new ATOM 0 HG12 VAL A 27 14.823 4.429 6.924 1.00 0.00 H new ATOM 0 HG13 VAL A 27 13.790 3.506 5.806 1.00 0.00 H new ATOM 0 HG21 VAL A 27 16.016 3.077 3.745 1.00 0.00 H new ATOM 0 HG22 VAL A 27 14.365 3.557 3.286 1.00 0.00 H new ATOM 0 HG23 VAL A 27 15.755 4.532 2.755 1.00 0.00 H new ATOM 84 N ARG A 28 16.059 7.540 3.844 1.00 0.00 N ATOM 85 CA ARG A 28 16.620 8.663 3.048 1.00 0.00 C ATOM 86 C ARG A 28 17.012 8.270 1.599 1.00 0.00 C ATOM 87 O ARG A 28 17.426 7.132 1.364 1.00 0.00 O ATOM 88 CB ARG A 28 17.878 9.248 3.738 1.00 0.00 C ATOM 89 CG ARG A 28 17.617 9.793 5.150 1.00 0.00 C ATOM 90 CD ARG A 28 18.601 10.874 5.602 1.00 0.00 C ATOM 91 NE ARG A 28 19.984 10.373 5.728 1.00 0.00 N ATOM 92 CZ ARG A 28 21.042 11.090 6.067 1.00 0.00 C ATOM 93 NH1 ARG A 28 20.960 12.357 6.358 1.00 0.00 N ATOM 94 NH2 ARG A 28 22.221 10.539 6.123 1.00 0.00 N ATOM 0 H ARG A 28 16.678 7.227 4.592 1.00 0.00 H new ATOM 0 HA ARG A 28 15.818 9.399 2.993 1.00 0.00 H new ATOM 0 HB2 ARG A 28 18.643 8.473 3.794 1.00 0.00 H new ATOM 0 HB3 ARG A 28 18.280 10.049 3.119 1.00 0.00 H new ATOM 0 HG2 ARG A 28 16.606 10.200 5.188 1.00 0.00 H new ATOM 0 HG3 ARG A 28 17.655 8.965 5.858 1.00 0.00 H new ATOM 0 HD2 ARG A 28 18.582 11.698 4.888 1.00 0.00 H new ATOM 0 HD3 ARG A 28 18.276 11.276 6.562 1.00 0.00 H new ATOM 0 HE ARG A 28 20.137 9.383 5.536 1.00 0.00 H new ATOM 0 HH11 ARG A 28 20.057 12.830 6.329 1.00 0.00 H new ATOM 0 HH12 ARG A 28 21.799 12.877 6.615 1.00 0.00 H new ATOM 0 HH21 ARG A 28 22.332 9.549 5.905 1.00 0.00 H new ATOM 0 HH22 ARG A 28 23.033 11.098 6.385 1.00 0.00 H new ATOM 108 N PRO A 29 16.875 9.200 0.625 1.00 0.00 N ATOM 109 CA PRO A 29 17.124 8.977 -0.805 1.00 0.00 C ATOM 110 C PRO A 29 18.575 9.239 -1.219 1.00 0.00 C ATOM 111 O PRO A 29 19.433 9.586 -0.401 1.00 0.00 O ATOM 112 CB PRO A 29 16.177 9.973 -1.488 1.00 0.00 C ATOM 113 CG PRO A 29 16.299 11.195 -0.586 1.00 0.00 C ATOM 114 CD PRO A 29 16.369 10.562 0.803 1.00 0.00 C ATOM 0 HA PRO A 29 16.952 7.937 -1.082 1.00 0.00 H new ATOM 0 HB2 PRO A 29 16.482 10.189 -2.512 1.00 0.00 H new ATOM 0 HB3 PRO A 29 15.154 9.599 -1.532 1.00 0.00 H new ATOM 0 HG2 PRO A 29 17.190 11.781 -0.812 1.00 0.00 H new ATOM 0 HG3 PRO A 29 15.444 11.863 -0.687 1.00 0.00 H new ATOM 0 HD2 PRO A 29 17.026 11.136 1.456 1.00 0.00 H new ATOM 0 HD3 PRO A 29 15.385 10.550 1.272 1.00 0.00 H new ATOM 122 N LYS A 30 18.836 9.106 -2.527 1.00 0.00 N ATOM 123 CA LYS A 30 20.085 9.528 -3.151 1.00 0.00 C ATOM 124 C LYS A 30 20.174 11.065 -3.113 1.00 0.00 C ATOM 125 O LYS A 30 19.155 11.753 -3.193 1.00 0.00 O ATOM 126 CB LYS A 30 20.120 8.928 -4.567 1.00 0.00 C ATOM 127 CG LYS A 30 21.492 8.969 -5.250 1.00 0.00 C ATOM 128 CD LYS A 30 21.918 7.631 -5.876 1.00 0.00 C ATOM 129 CE LYS A 30 22.199 6.558 -4.811 1.00 0.00 C ATOM 130 NZ LYS A 30 22.606 5.265 -5.433 1.00 0.00 N ATOM 0 H LYS A 30 18.173 8.696 -3.185 1.00 0.00 H new ATOM 0 HA LYS A 30 20.965 9.166 -2.620 1.00 0.00 H new ATOM 0 HB2 LYS A 30 19.787 7.892 -4.515 1.00 0.00 H new ATOM 0 HB3 LYS A 30 19.403 9.463 -5.191 1.00 0.00 H new ATOM 0 HG2 LYS A 30 21.477 9.734 -6.027 1.00 0.00 H new ATOM 0 HG3 LYS A 30 22.242 9.272 -4.519 1.00 0.00 H new ATOM 0 HD2 LYS A 30 21.134 7.279 -6.547 1.00 0.00 H new ATOM 0 HD3 LYS A 30 22.811 7.783 -6.482 1.00 0.00 H new ATOM 0 HE2 LYS A 30 22.986 6.905 -4.142 1.00 0.00 H new ATOM 0 HE3 LYS A 30 21.308 6.406 -4.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 22.788 4.563 -4.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 21.844 4.923 -6.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 23.470 5.406 -5.994 1.00 0.00 H new ATOM 144 N LEU A 31 21.380 11.619 -3.002 1.00 0.00 N ATOM 145 CA LEU A 31 21.574 13.056 -2.718 1.00 0.00 C ATOM 146 C LEU A 31 20.975 14.023 -3.762 1.00 0.00 C ATOM 147 O LEU A 31 20.316 14.978 -3.346 1.00 0.00 O ATOM 148 CB LEU A 31 23.060 13.350 -2.423 1.00 0.00 C ATOM 149 CG LEU A 31 23.615 12.690 -1.142 1.00 0.00 C ATOM 150 CD1 LEU A 31 25.102 13.028 -1.006 1.00 0.00 C ATOM 151 CD2 LEU A 31 22.910 13.180 0.128 1.00 0.00 C ATOM 0 H LEU A 31 22.250 11.096 -3.104 1.00 0.00 H new ATOM 0 HA LEU A 31 20.987 13.262 -1.823 1.00 0.00 H new ATOM 0 HB2 LEU A 31 23.656 13.017 -3.273 1.00 0.00 H new ATOM 0 HB3 LEU A 31 23.192 14.429 -2.344 1.00 0.00 H new ATOM 0 HG LEU A 31 23.447 11.617 -1.239 1.00 0.00 H new ATOM 0 HD11 LEU A 31 25.499 12.565 -0.103 1.00 0.00 H new ATOM 0 HD12 LEU A 31 25.642 12.651 -1.875 1.00 0.00 H new ATOM 0 HD13 LEU A 31 25.225 14.109 -0.943 1.00 0.00 H new ATOM 0 HD21 LEU A 31 23.340 12.683 0.998 1.00 0.00 H new ATOM 0 HD22 LEU A 31 23.041 14.258 0.224 1.00 0.00 H new ATOM 0 HD23 LEU A 31 21.847 12.948 0.067 1.00 0.00 H new ATOM 163 N PRO A 32 21.081 13.792 -5.087 1.00 0.00 N ATOM 164 CA PRO A 32 20.445 14.668 -6.076 1.00 0.00 C ATOM 165 C PRO A 32 18.918 14.766 -5.935 1.00 0.00 C ATOM 166 O PRO A 32 18.358 15.833 -6.169 1.00 0.00 O ATOM 167 CB PRO A 32 20.860 14.113 -7.444 1.00 0.00 C ATOM 168 CG PRO A 32 22.208 13.461 -7.147 1.00 0.00 C ATOM 169 CD PRO A 32 21.980 12.865 -5.761 1.00 0.00 C ATOM 0 HA PRO A 32 20.777 15.696 -5.932 1.00 0.00 H new ATOM 0 HB2 PRO A 32 20.137 13.392 -7.825 1.00 0.00 H new ATOM 0 HB3 PRO A 32 20.948 14.902 -8.191 1.00 0.00 H new ATOM 0 HG2 PRO A 32 22.461 12.697 -7.882 1.00 0.00 H new ATOM 0 HG3 PRO A 32 23.021 14.187 -7.149 1.00 0.00 H new ATOM 0 HD2 PRO A 32 21.541 11.870 -5.828 1.00 0.00 H new ATOM 0 HD3 PRO A 32 22.919 12.763 -5.217 1.00 0.00 H new ATOM 177 N LEU A 33 18.237 13.707 -5.474 1.00 0.00 N ATOM 178 CA LEU A 33 16.787 13.724 -5.219 1.00 0.00 C ATOM 179 C LEU A 33 16.449 14.714 -4.091 1.00 0.00 C ATOM 180 O LEU A 33 15.556 15.547 -4.241 1.00 0.00 O ATOM 181 CB LEU A 33 16.325 12.278 -4.933 1.00 0.00 C ATOM 182 CG LEU A 33 14.804 12.025 -4.983 1.00 0.00 C ATOM 183 CD1 LEU A 33 14.497 10.531 -5.016 1.00 0.00 C ATOM 184 CD2 LEU A 33 14.075 12.586 -3.766 1.00 0.00 C ATOM 0 H LEU A 33 18.677 12.811 -5.266 1.00 0.00 H new ATOM 0 HA LEU A 33 16.241 14.080 -6.092 1.00 0.00 H new ATOM 0 HB2 LEU A 33 16.806 11.616 -5.653 1.00 0.00 H new ATOM 0 HB3 LEU A 33 16.687 11.992 -3.946 1.00 0.00 H new ATOM 0 HG LEU A 33 14.461 12.526 -5.888 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.418 10.382 -5.051 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.954 10.085 -5.900 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.900 10.057 -4.121 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.008 12.380 -3.854 1.00 0.00 H new ATOM 0 HD22 LEU A 33 14.462 12.117 -2.862 1.00 0.00 H new ATOM 0 HD23 LEU A 33 14.233 13.663 -3.712 1.00 0.00 H new ATOM 196 N LEU A 34 17.220 14.696 -2.998 1.00 0.00 N ATOM 197 CA LEU A 34 17.074 15.653 -1.895 1.00 0.00 C ATOM 198 C LEU A 34 17.309 17.104 -2.361 1.00 0.00 C ATOM 199 O LEU A 34 16.554 17.998 -1.983 1.00 0.00 O ATOM 200 CB LEU A 34 18.017 15.220 -0.752 1.00 0.00 C ATOM 201 CG LEU A 34 17.961 16.085 0.522 1.00 0.00 C ATOM 202 CD1 LEU A 34 16.564 16.151 1.132 1.00 0.00 C ATOM 203 CD2 LEU A 34 18.911 15.512 1.572 1.00 0.00 C ATOM 0 H LEU A 34 17.965 14.015 -2.853 1.00 0.00 H new ATOM 0 HA LEU A 34 16.050 15.643 -1.523 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.782 14.191 -0.481 1.00 0.00 H new ATOM 0 HB3 LEU A 34 19.040 15.225 -1.128 1.00 0.00 H new ATOM 0 HG LEU A 34 18.252 17.094 0.228 1.00 0.00 H new ATOM 0 HD11 LEU A 34 16.587 16.774 2.026 1.00 0.00 H new ATOM 0 HD12 LEU A 34 15.871 16.580 0.408 1.00 0.00 H new ATOM 0 HD13 LEU A 34 16.235 15.146 1.398 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.870 16.125 2.473 1.00 0.00 H new ATOM 0 HD22 LEU A 34 18.613 14.492 1.814 1.00 0.00 H new ATOM 0 HD23 LEU A 34 19.928 15.510 1.180 1.00 0.00 H new ATOM 215 N LYS A 35 18.284 17.334 -3.251 1.00 0.00 N ATOM 216 CA LYS A 35 18.544 18.661 -3.853 1.00 0.00 C ATOM 217 C LYS A 35 17.415 19.133 -4.781 1.00 0.00 C ATOM 218 O LYS A 35 17.066 20.310 -4.757 1.00 0.00 O ATOM 219 CB LYS A 35 19.908 18.663 -4.571 1.00 0.00 C ATOM 220 CG LYS A 35 21.081 19.071 -3.662 1.00 0.00 C ATOM 221 CD LYS A 35 21.189 18.255 -2.362 1.00 0.00 C ATOM 222 CE LYS A 35 22.502 18.492 -1.605 1.00 0.00 C ATOM 223 NZ LYS A 35 22.646 19.894 -1.118 1.00 0.00 N ATOM 0 H LYS A 35 18.920 16.607 -3.579 1.00 0.00 H new ATOM 0 HA LYS A 35 18.576 19.384 -3.038 1.00 0.00 H new ATOM 0 HB2 LYS A 35 20.099 17.668 -4.973 1.00 0.00 H new ATOM 0 HB3 LYS A 35 19.862 19.346 -5.419 1.00 0.00 H new ATOM 0 HG2 LYS A 35 22.011 18.967 -4.221 1.00 0.00 H new ATOM 0 HG3 LYS A 35 20.978 20.126 -3.407 1.00 0.00 H new ATOM 0 HD2 LYS A 35 20.352 18.508 -1.712 1.00 0.00 H new ATOM 0 HD3 LYS A 35 21.100 17.195 -2.598 1.00 0.00 H new ATOM 0 HE2 LYS A 35 22.554 17.811 -0.756 1.00 0.00 H new ATOM 0 HE3 LYS A 35 23.341 18.252 -2.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 23.550 19.996 -0.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 22.625 20.547 -1.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 21.863 20.119 -0.472 1.00 0.00 H new ATOM 237 N ILE A 36 16.783 18.236 -5.538 1.00 0.00 N ATOM 238 CA ILE A 36 15.580 18.536 -6.333 1.00 0.00 C ATOM 239 C ILE A 36 14.395 18.925 -5.431 1.00 0.00 C ATOM 240 O ILE A 36 13.714 19.912 -5.703 1.00 0.00 O ATOM 241 CB ILE A 36 15.276 17.335 -7.252 1.00 0.00 C ATOM 242 CG1 ILE A 36 16.389 17.229 -8.318 1.00 0.00 C ATOM 243 CG2 ILE A 36 13.903 17.471 -7.929 1.00 0.00 C ATOM 244 CD1 ILE A 36 16.388 15.894 -9.064 1.00 0.00 C ATOM 0 H ILE A 36 17.091 17.267 -5.621 1.00 0.00 H new ATOM 0 HA ILE A 36 15.759 19.406 -6.965 1.00 0.00 H new ATOM 0 HB ILE A 36 15.249 16.430 -6.646 1.00 0.00 H new ATOM 0 HG12 ILE A 36 16.271 18.039 -9.038 1.00 0.00 H new ATOM 0 HG13 ILE A 36 17.357 17.368 -7.837 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.725 16.606 -8.568 1.00 0.00 H new ATOM 0 HG22 ILE A 36 13.125 17.525 -7.167 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.883 18.378 -8.533 1.00 0.00 H new ATOM 0 HD11 ILE A 36 17.194 15.886 -9.797 1.00 0.00 H new ATOM 0 HD12 ILE A 36 16.536 15.080 -8.354 1.00 0.00 H new ATOM 0 HD13 ILE A 36 15.433 15.762 -9.573 1.00 0.00 H new ATOM 256 N LEU A 37 14.180 18.223 -4.314 1.00 0.00 N ATOM 257 CA LEU A 37 13.176 18.591 -3.309 1.00 0.00 C ATOM 258 C LEU A 37 13.476 19.948 -2.638 1.00 0.00 C ATOM 259 O LEU A 37 12.553 20.743 -2.446 1.00 0.00 O ATOM 260 CB LEU A 37 13.055 17.441 -2.292 1.00 0.00 C ATOM 261 CG LEU A 37 12.468 16.149 -2.898 1.00 0.00 C ATOM 262 CD1 LEU A 37 12.530 15.017 -1.886 1.00 0.00 C ATOM 263 CD2 LEU A 37 10.998 16.326 -3.248 1.00 0.00 C ATOM 0 H LEU A 37 14.701 17.378 -4.080 1.00 0.00 H new ATOM 0 HA LEU A 37 12.214 18.733 -3.802 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.040 17.225 -1.879 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.426 17.764 -1.463 1.00 0.00 H new ATOM 0 HG LEU A 37 13.054 15.925 -3.789 1.00 0.00 H new ATOM 0 HD11 LEU A 37 12.113 14.112 -2.327 1.00 0.00 H new ATOM 0 HD12 LEU A 37 13.567 14.838 -1.603 1.00 0.00 H new ATOM 0 HD13 LEU A 37 11.954 15.288 -1.001 1.00 0.00 H new ATOM 0 HD21 LEU A 37 10.611 15.400 -3.673 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.437 16.574 -2.347 1.00 0.00 H new ATOM 0 HD23 LEU A 37 10.891 17.131 -3.975 1.00 0.00 H new ATOM 275 N HIS A 38 14.751 20.274 -2.381 1.00 0.00 N ATOM 276 CA HIS A 38 15.162 21.621 -1.949 1.00 0.00 C ATOM 277 C HIS A 38 14.831 22.683 -3.014 1.00 0.00 C ATOM 278 O HIS A 38 14.256 23.722 -2.687 1.00 0.00 O ATOM 279 CB HIS A 38 16.662 21.664 -1.599 1.00 0.00 C ATOM 280 CG HIS A 38 17.121 20.821 -0.427 1.00 0.00 C ATOM 281 ND1 HIS A 38 18.461 20.540 -0.131 1.00 0.00 N ATOM 282 CD2 HIS A 38 16.337 20.289 0.559 1.00 0.00 C ATOM 283 CE1 HIS A 38 18.449 19.848 1.021 1.00 0.00 C ATOM 284 NE2 HIS A 38 17.188 19.682 1.457 1.00 0.00 N ATOM 0 H HIS A 38 15.525 19.615 -2.466 1.00 0.00 H new ATOM 0 HA HIS A 38 14.593 21.855 -1.049 1.00 0.00 H new ATOM 0 HB2 HIS A 38 17.224 21.354 -2.480 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.933 22.700 -1.397 1.00 0.00 H new ATOM 0 HD2 HIS A 38 15.260 20.336 0.622 1.00 0.00 H new ATOM 0 HE1 HIS A 38 19.329 19.477 1.526 1.00 0.00 H new ATOM 0 HE2 HIS A 38 16.909 19.191 2.307 1.00 0.00 H new ATOM 292 N ALA A 39 15.114 22.413 -4.296 1.00 0.00 N ATOM 293 CA ALA A 39 14.813 23.314 -5.414 1.00 0.00 C ATOM 294 C ALA A 39 13.302 23.529 -5.623 1.00 0.00 C ATOM 295 O ALA A 39 12.881 24.601 -6.062 1.00 0.00 O ATOM 296 CB ALA A 39 15.448 22.739 -6.683 1.00 0.00 C ATOM 0 H ALA A 39 15.566 21.547 -4.589 1.00 0.00 H new ATOM 0 HA ALA A 39 15.229 24.294 -5.181 1.00 0.00 H new ATOM 0 HB1 ALA A 39 15.235 23.396 -7.526 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.527 22.661 -6.547 1.00 0.00 H new ATOM 0 HB3 ALA A 39 15.035 21.750 -6.880 1.00 0.00 H new ATOM 302 N ALA A 40 12.483 22.536 -5.260 1.00 0.00 N ATOM 303 CA ALA A 40 11.025 22.632 -5.241 1.00 0.00 C ATOM 304 C ALA A 40 10.475 23.479 -4.064 1.00 0.00 C ATOM 305 O ALA A 40 9.264 23.696 -3.976 1.00 0.00 O ATOM 306 CB ALA A 40 10.449 21.210 -5.239 1.00 0.00 C ATOM 0 H ALA A 40 12.827 21.622 -4.965 1.00 0.00 H new ATOM 0 HA ALA A 40 10.705 23.166 -6.135 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.360 21.259 -5.225 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.777 20.683 -6.135 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.800 20.677 -4.356 1.00 0.00 H new ATOM 312 N GLY A 41 11.346 23.959 -3.162 1.00 0.00 N ATOM 313 CA GLY A 41 10.998 24.824 -2.026 1.00 0.00 C ATOM 314 C GLY A 41 10.659 24.090 -0.720 1.00 0.00 C ATOM 315 O GLY A 41 10.135 24.716 0.205 1.00 0.00 O ATOM 0 H GLY A 41 12.343 23.748 -3.206 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.832 25.500 -1.837 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.145 25.441 -2.309 1.00 0.00 H new ATOM 319 N ALA A 42 10.940 22.785 -0.628 1.00 0.00 N ATOM 320 CA ALA A 42 10.672 21.947 0.546 1.00 0.00 C ATOM 321 C ALA A 42 11.954 21.579 1.321 1.00 0.00 C ATOM 322 O ALA A 42 13.049 21.559 0.757 1.00 0.00 O ATOM 323 CB ALA A 42 9.928 20.692 0.072 1.00 0.00 C ATOM 0 H ALA A 42 11.374 22.267 -1.392 1.00 0.00 H new ATOM 0 HA ALA A 42 10.059 22.510 1.250 1.00 0.00 H new ATOM 0 HB1 ALA A 42 9.716 20.050 0.927 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.992 20.982 -0.405 1.00 0.00 H new ATOM 0 HB3 ALA A 42 10.547 20.151 -0.643 1.00 0.00 H new ATOM 329 N GLN A 43 11.823 21.257 2.613 1.00 0.00 N ATOM 330 CA GLN A 43 12.911 20.666 3.405 1.00 0.00 C ATOM 331 C GLN A 43 13.024 19.147 3.147 1.00 0.00 C ATOM 332 O GLN A 43 12.250 18.584 2.365 1.00 0.00 O ATOM 333 CB GLN A 43 12.714 20.990 4.899 1.00 0.00 C ATOM 334 CG GLN A 43 11.481 20.324 5.538 1.00 0.00 C ATOM 335 CD GLN A 43 11.575 20.299 7.065 1.00 0.00 C ATOM 336 OE1 GLN A 43 11.120 21.199 7.760 1.00 0.00 O ATOM 337 NE2 GLN A 43 12.179 19.279 7.649 1.00 0.00 N ATOM 0 H GLN A 43 10.961 21.398 3.140 1.00 0.00 H new ATOM 0 HA GLN A 43 13.857 21.107 3.092 1.00 0.00 H new ATOM 0 HB2 GLN A 43 13.604 20.679 5.446 1.00 0.00 H new ATOM 0 HB3 GLN A 43 12.629 22.070 5.016 1.00 0.00 H new ATOM 0 HG2 GLN A 43 10.581 20.862 5.238 1.00 0.00 H new ATOM 0 HG3 GLN A 43 11.383 19.305 5.163 1.00 0.00 H new ATOM 0 HE21 GLN A 43 12.563 18.522 7.084 1.00 0.00 H new ATOM 0 HE22 GLN A 43 12.261 19.249 8.665 1.00 0.00 H new ATOM 346 N GLY A 44 13.952 18.453 3.820 1.00 0.00 N ATOM 347 CA GLY A 44 14.053 17.000 3.664 1.00 0.00 C ATOM 348 C GLY A 44 15.168 16.269 4.391 1.00 0.00 C ATOM 349 O GLY A 44 16.239 16.809 4.663 1.00 0.00 O ATOM 0 H GLY A 44 14.628 18.865 4.463 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.107 16.565 3.986 1.00 0.00 H new ATOM 0 HA3 GLY A 44 14.156 16.787 2.600 1.00 0.00 H new ATOM 353 N GLU A 45 14.880 14.990 4.624 1.00 0.00 N ATOM 354 CA GLU A 45 15.793 13.949 5.097 1.00 0.00 C ATOM 355 C GLU A 45 15.362 12.613 4.466 1.00 0.00 C ATOM 356 O GLU A 45 16.049 12.101 3.586 1.00 0.00 O ATOM 357 CB GLU A 45 15.798 13.886 6.639 1.00 0.00 C ATOM 358 CG GLU A 45 16.626 14.983 7.328 1.00 0.00 C ATOM 359 CD GLU A 45 18.138 14.953 7.008 1.00 0.00 C ATOM 360 OE1 GLU A 45 18.669 13.906 6.563 1.00 0.00 O ATOM 361 OE2 GLU A 45 18.825 15.976 7.250 1.00 0.00 O ATOM 0 H GLU A 45 13.938 14.628 4.477 1.00 0.00 H new ATOM 0 HA GLU A 45 16.816 14.173 4.795 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.770 13.950 6.994 1.00 0.00 H new ATOM 0 HB3 GLU A 45 16.182 12.914 6.947 1.00 0.00 H new ATOM 0 HG2 GLU A 45 16.227 15.955 7.038 1.00 0.00 H new ATOM 0 HG3 GLU A 45 16.496 14.893 8.406 1.00 0.00 H new ATOM 368 N MET A 46 14.190 12.089 4.852 1.00 0.00 N ATOM 369 CA MET A 46 13.564 10.864 4.317 1.00 0.00 C ATOM 370 C MET A 46 12.094 11.001 3.897 1.00 0.00 C ATOM 371 O MET A 46 11.364 11.854 4.405 1.00 0.00 O ATOM 372 CB MET A 46 13.751 9.662 5.251 1.00 0.00 C ATOM 373 CG MET A 46 13.072 9.600 6.613 1.00 0.00 C ATOM 374 SD MET A 46 13.405 10.942 7.792 1.00 0.00 S ATOM 375 CE MET A 46 15.114 10.550 8.258 1.00 0.00 C ATOM 0 H MET A 46 13.624 12.525 5.579 1.00 0.00 H new ATOM 0 HA MET A 46 14.110 10.684 3.391 1.00 0.00 H new ATOM 0 HB2 MET A 46 13.433 8.778 4.698 1.00 0.00 H new ATOM 0 HB3 MET A 46 14.822 9.560 5.426 1.00 0.00 H new ATOM 0 HG2 MET A 46 11.995 9.559 6.448 1.00 0.00 H new ATOM 0 HG3 MET A 46 13.358 8.661 7.086 1.00 0.00 H new ATOM 0 HE1 MET A 46 15.471 11.283 8.981 1.00 0.00 H new ATOM 0 HE2 MET A 46 15.151 9.555 8.702 1.00 0.00 H new ATOM 0 HE3 MET A 46 15.748 10.576 7.372 1.00 0.00 H new ATOM 385 N PHE A 47 11.680 10.129 2.962 1.00 0.00 N ATOM 386 CA PHE A 47 10.394 10.229 2.251 1.00 0.00 C ATOM 387 C PHE A 47 9.837 8.897 1.713 1.00 0.00 C ATOM 388 O PHE A 47 10.572 7.931 1.495 1.00 0.00 O ATOM 389 CB PHE A 47 10.597 11.114 1.010 1.00 0.00 C ATOM 390 CG PHE A 47 11.425 12.370 1.166 1.00 0.00 C ATOM 391 CD1 PHE A 47 10.826 13.581 1.560 1.00 0.00 C ATOM 392 CD2 PHE A 47 12.801 12.323 0.874 1.00 0.00 C ATOM 393 CE1 PHE A 47 11.600 14.752 1.626 1.00 0.00 C ATOM 394 CE2 PHE A 47 13.577 13.488 0.956 1.00 0.00 C ATOM 395 CZ PHE A 47 12.966 14.703 1.299 1.00 0.00 C ATOM 0 H PHE A 47 12.237 9.324 2.675 1.00 0.00 H new ATOM 0 HA PHE A 47 9.691 10.619 2.987 1.00 0.00 H new ATOM 0 HB2 PHE A 47 11.059 10.503 0.235 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.613 11.405 0.642 1.00 0.00 H new ATOM 0 HD1 PHE A 47 9.776 13.610 1.811 1.00 0.00 H new ATOM 0 HD2 PHE A 47 13.260 11.389 0.586 1.00 0.00 H new ATOM 0 HE1 PHE A 47 11.147 15.685 1.927 1.00 0.00 H new ATOM 0 HE2 PHE A 47 14.638 13.450 0.756 1.00 0.00 H new ATOM 0 HZ PHE A 47 13.551 15.610 1.312 1.00 0.00 H new ATOM 405 N THR A 48 8.534 8.879 1.430 1.00 0.00 N ATOM 406 CA THR A 48 7.800 7.838 0.677 1.00 0.00 C ATOM 407 C THR A 48 7.659 8.260 -0.801 1.00 0.00 C ATOM 408 O THR A 48 7.957 9.413 -1.123 1.00 0.00 O ATOM 409 CB THR A 48 6.414 7.623 1.311 1.00 0.00 C ATOM 410 OG1 THR A 48 5.651 8.797 1.122 1.00 0.00 O ATOM 411 CG2 THR A 48 6.471 7.341 2.817 1.00 0.00 C ATOM 0 H THR A 48 7.917 9.632 1.735 1.00 0.00 H new ATOM 0 HA THR A 48 8.355 6.901 0.718 1.00 0.00 H new ATOM 0 HB THR A 48 5.973 6.751 0.827 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.763 8.677 1.519 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.460 7.199 3.199 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.056 6.439 2.996 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.937 8.184 3.328 1.00 0.00 H new ATOM 419 N VAL A 49 7.144 7.411 -1.716 1.00 0.00 N ATOM 420 CA VAL A 49 6.801 7.890 -3.086 1.00 0.00 C ATOM 421 C VAL A 49 5.819 9.055 -3.001 1.00 0.00 C ATOM 422 O VAL A 49 6.040 10.043 -3.684 1.00 0.00 O ATOM 423 CB VAL A 49 6.318 6.783 -4.075 1.00 0.00 C ATOM 424 CG1 VAL A 49 5.000 7.048 -4.822 1.00 0.00 C ATOM 425 CG2 VAL A 49 7.385 6.527 -5.148 1.00 0.00 C ATOM 0 H VAL A 49 6.959 6.422 -1.547 1.00 0.00 H new ATOM 0 HA VAL A 49 7.736 8.235 -3.527 1.00 0.00 H new ATOM 0 HB VAL A 49 6.142 5.931 -3.418 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.777 6.205 -5.476 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.192 7.172 -4.101 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.096 7.955 -5.419 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.036 5.753 -5.831 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.569 7.446 -5.705 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.309 6.200 -4.671 1.00 0.00 H new ATOM 435 N LYS A 50 4.804 9.007 -2.125 1.00 0.00 N ATOM 436 CA LYS A 50 3.802 10.079 -1.975 1.00 0.00 C ATOM 437 C LYS A 50 4.434 11.417 -1.570 1.00 0.00 C ATOM 438 O LYS A 50 4.107 12.452 -2.148 1.00 0.00 O ATOM 439 CB LYS A 50 2.729 9.617 -0.970 1.00 0.00 C ATOM 440 CG LYS A 50 1.530 10.571 -0.828 1.00 0.00 C ATOM 441 CD LYS A 50 0.736 10.742 -2.133 1.00 0.00 C ATOM 442 CE LYS A 50 -0.532 11.566 -1.873 1.00 0.00 C ATOM 443 NZ LYS A 50 -1.350 11.728 -3.107 1.00 0.00 N ATOM 0 H LYS A 50 4.652 8.219 -1.495 1.00 0.00 H new ATOM 0 HA LYS A 50 3.333 10.262 -2.942 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.362 8.637 -1.275 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.195 9.493 0.007 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.864 10.195 -0.052 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.887 11.546 -0.497 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.354 11.237 -2.882 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.468 9.765 -2.536 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.130 11.080 -1.102 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.255 12.548 -1.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.198 12.290 -2.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.788 12.215 -3.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.636 10.792 -3.459 1.00 0.00 H new ATOM 457 N GLU A 51 5.377 11.396 -0.629 1.00 0.00 N ATOM 458 CA GLU A 51 6.055 12.612 -0.156 1.00 0.00 C ATOM 459 C GLU A 51 7.074 13.165 -1.164 1.00 0.00 C ATOM 460 O GLU A 51 7.155 14.383 -1.332 1.00 0.00 O ATOM 461 CB GLU A 51 6.715 12.353 1.203 1.00 0.00 C ATOM 462 CG GLU A 51 5.665 12.187 2.306 1.00 0.00 C ATOM 463 CD GLU A 51 6.326 12.048 3.692 1.00 0.00 C ATOM 464 OE1 GLU A 51 7.183 11.151 3.877 1.00 0.00 O ATOM 465 OE2 GLU A 51 5.984 12.840 4.607 1.00 0.00 O ATOM 0 H GLU A 51 5.695 10.541 -0.172 1.00 0.00 H new ATOM 0 HA GLU A 51 5.290 13.381 -0.046 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.331 11.456 1.146 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.379 13.181 1.451 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.994 13.046 2.305 1.00 0.00 H new ATOM 0 HG3 GLU A 51 5.055 11.307 2.101 1.00 0.00 H new ATOM 472 N VAL A 52 7.804 12.304 -1.888 1.00 0.00 N ATOM 473 CA VAL A 52 8.683 12.751 -2.988 1.00 0.00 C ATOM 474 C VAL A 52 7.866 13.294 -4.154 1.00 0.00 C ATOM 475 O VAL A 52 8.126 14.390 -4.642 1.00 0.00 O ATOM 476 CB VAL A 52 9.601 11.617 -3.500 1.00 0.00 C ATOM 477 CG1 VAL A 52 10.429 12.028 -4.726 1.00 0.00 C ATOM 478 CG2 VAL A 52 10.586 11.179 -2.418 1.00 0.00 C ATOM 0 H VAL A 52 7.806 11.296 -1.735 1.00 0.00 H new ATOM 0 HA VAL A 52 9.309 13.543 -2.578 1.00 0.00 H new ATOM 0 HB VAL A 52 8.929 10.804 -3.774 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.054 11.192 -5.040 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.760 12.307 -5.540 1.00 0.00 H new ATOM 0 HG13 VAL A 52 11.062 12.877 -4.469 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.220 10.381 -2.804 1.00 0.00 H new ATOM 0 HG22 VAL A 52 11.207 12.026 -2.127 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.035 10.817 -1.550 1.00 0.00 H new ATOM 488 N MET A 53 6.871 12.536 -4.611 1.00 0.00 N ATOM 489 CA MET A 53 6.155 12.794 -5.858 1.00 0.00 C ATOM 490 C MET A 53 5.262 14.036 -5.833 1.00 0.00 C ATOM 491 O MET A 53 5.091 14.661 -6.878 1.00 0.00 O ATOM 492 CB MET A 53 5.431 11.520 -6.302 1.00 0.00 C ATOM 493 CG MET A 53 4.102 11.235 -5.584 1.00 0.00 C ATOM 494 SD MET A 53 2.639 12.150 -6.134 1.00 0.00 S ATOM 495 CE MET A 53 2.569 11.544 -7.831 1.00 0.00 C ATOM 0 H MET A 53 6.534 11.710 -4.116 1.00 0.00 H new ATOM 0 HA MET A 53 6.895 13.051 -6.616 1.00 0.00 H new ATOM 0 HB2 MET A 53 5.240 11.585 -7.373 1.00 0.00 H new ATOM 0 HB3 MET A 53 6.097 10.671 -6.148 1.00 0.00 H new ATOM 0 HG2 MET A 53 3.889 10.171 -5.682 1.00 0.00 H new ATOM 0 HG3 MET A 53 4.244 11.435 -4.522 1.00 0.00 H new ATOM 0 HE1 MET A 53 2.799 12.358 -8.518 1.00 0.00 H new ATOM 0 HE2 MET A 53 3.296 10.743 -7.962 1.00 0.00 H new ATOM 0 HE3 MET A 53 1.569 11.164 -8.041 1.00 0.00 H new ATOM 505 N HIS A 54 4.776 14.445 -4.656 1.00 0.00 N ATOM 506 CA HIS A 54 4.070 15.718 -4.475 1.00 0.00 C ATOM 507 C HIS A 54 4.954 16.900 -4.908 1.00 0.00 C ATOM 508 O HIS A 54 4.577 17.684 -5.782 1.00 0.00 O ATOM 509 CB HIS A 54 3.630 15.839 -3.006 1.00 0.00 C ATOM 510 CG HIS A 54 2.967 17.160 -2.696 1.00 0.00 C ATOM 511 ND1 HIS A 54 1.654 17.510 -3.029 1.00 0.00 N ATOM 512 CD2 HIS A 54 3.564 18.220 -2.079 1.00 0.00 C ATOM 513 CE1 HIS A 54 1.492 18.774 -2.598 1.00 0.00 C ATOM 514 NE2 HIS A 54 2.622 19.224 -2.025 1.00 0.00 N ATOM 0 H HIS A 54 4.862 13.900 -3.798 1.00 0.00 H new ATOM 0 HA HIS A 54 3.183 15.742 -5.108 1.00 0.00 H new ATOM 0 HB2 HIS A 54 2.940 15.028 -2.771 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.499 15.715 -2.361 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.577 18.264 -1.706 1.00 0.00 H new ATOM 0 HE1 HIS A 54 0.582 19.347 -2.698 1.00 0.00 H new ATOM 0 HE2 HIS A 54 2.758 20.150 -1.620 1.00 0.00 H new ATOM 522 N TYR A 55 6.163 16.987 -4.345 1.00 0.00 N ATOM 523 CA TYR A 55 7.154 18.005 -4.703 1.00 0.00 C ATOM 524 C TYR A 55 7.838 17.758 -6.056 1.00 0.00 C ATOM 525 O TYR A 55 8.155 18.728 -6.733 1.00 0.00 O ATOM 526 CB TYR A 55 8.157 18.141 -3.555 1.00 0.00 C ATOM 527 CG TYR A 55 7.551 18.714 -2.284 1.00 0.00 C ATOM 528 CD1 TYR A 55 7.016 20.019 -2.283 1.00 0.00 C ATOM 529 CD2 TYR A 55 7.493 17.934 -1.112 1.00 0.00 C ATOM 530 CE1 TYR A 55 6.413 20.538 -1.120 1.00 0.00 C ATOM 531 CE2 TYR A 55 6.901 18.453 0.055 1.00 0.00 C ATOM 532 CZ TYR A 55 6.358 19.756 0.056 1.00 0.00 C ATOM 533 OH TYR A 55 5.784 20.248 1.189 1.00 0.00 O ATOM 0 H TYR A 55 6.484 16.345 -3.620 1.00 0.00 H new ATOM 0 HA TYR A 55 6.631 18.951 -4.843 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.581 17.161 -3.336 1.00 0.00 H new ATOM 0 HB3 TYR A 55 8.980 18.780 -3.876 1.00 0.00 H new ATOM 0 HD1 TYR A 55 7.069 20.623 -3.177 1.00 0.00 H new ATOM 0 HD2 TYR A 55 7.904 16.935 -1.109 1.00 0.00 H new ATOM 0 HE1 TYR A 55 5.993 21.533 -1.127 1.00 0.00 H new ATOM 0 HE2 TYR A 55 6.862 17.853 0.952 1.00 0.00 H new ATOM 0 HH TYR A 55 5.833 19.575 1.900 1.00 0.00 H new ATOM 543 N LEU A 56 8.030 16.510 -6.506 1.00 0.00 N ATOM 544 CA LEU A 56 8.600 16.216 -7.834 1.00 0.00 C ATOM 545 C LEU A 56 7.650 16.587 -8.979 1.00 0.00 C ATOM 546 O LEU A 56 8.106 17.149 -9.970 1.00 0.00 O ATOM 547 CB LEU A 56 9.058 14.744 -7.942 1.00 0.00 C ATOM 548 CG LEU A 56 10.577 14.506 -7.838 1.00 0.00 C ATOM 549 CD1 LEU A 56 11.310 15.001 -9.085 1.00 0.00 C ATOM 550 CD2 LEU A 56 11.197 15.155 -6.604 1.00 0.00 C ATOM 0 H LEU A 56 7.797 15.678 -5.965 1.00 0.00 H new ATOM 0 HA LEU A 56 9.480 16.850 -7.938 1.00 0.00 H new ATOM 0 HB2 LEU A 56 8.565 14.171 -7.157 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.711 14.344 -8.895 1.00 0.00 H new ATOM 0 HG LEU A 56 10.696 13.426 -7.749 1.00 0.00 H new ATOM 0 HD11 LEU A 56 12.379 14.817 -8.976 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.938 14.470 -9.961 1.00 0.00 H new ATOM 0 HD13 LEU A 56 11.137 16.070 -9.208 1.00 0.00 H new ATOM 0 HD21 LEU A 56 12.268 14.953 -6.586 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.032 16.232 -6.637 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.735 14.745 -5.706 1.00 0.00 H new ATOM 562 N GLY A 57 6.342 16.355 -8.836 1.00 0.00 N ATOM 563 CA GLY A 57 5.337 16.825 -9.795 1.00 0.00 C ATOM 564 C GLY A 57 5.307 18.353 -9.871 1.00 0.00 C ATOM 565 O GLY A 57 5.420 18.928 -10.952 1.00 0.00 O ATOM 0 H GLY A 57 5.949 15.835 -8.051 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.554 16.415 -10.781 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.354 16.455 -9.505 1.00 0.00 H new ATOM 569 N GLN A 58 5.283 19.023 -8.712 1.00 0.00 N ATOM 570 CA GLN A 58 5.411 20.482 -8.596 1.00 0.00 C ATOM 571 C GLN A 58 6.719 21.007 -9.219 1.00 0.00 C ATOM 572 O GLN A 58 6.695 22.006 -9.942 1.00 0.00 O ATOM 573 CB GLN A 58 5.296 20.842 -7.101 1.00 0.00 C ATOM 574 CG GLN A 58 5.583 22.303 -6.722 1.00 0.00 C ATOM 575 CD GLN A 58 4.589 23.298 -7.324 1.00 0.00 C ATOM 576 OE1 GLN A 58 3.622 23.708 -6.695 1.00 0.00 O ATOM 577 NE2 GLN A 58 4.774 23.722 -8.559 1.00 0.00 N ATOM 0 H GLN A 58 5.172 18.558 -7.811 1.00 0.00 H new ATOM 0 HA GLN A 58 4.614 20.968 -9.160 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.288 20.595 -6.768 1.00 0.00 H new ATOM 0 HB3 GLN A 58 5.982 20.204 -6.543 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.567 22.398 -5.636 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.589 22.564 -7.050 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.574 23.391 -9.097 1.00 0.00 H new ATOM 0 HE22 GLN A 58 4.117 24.381 -8.976 1.00 0.00 H new ATOM 586 N TYR A 59 7.843 20.330 -8.979 1.00 0.00 N ATOM 587 CA TYR A 59 9.160 20.660 -9.522 1.00 0.00 C ATOM 588 C TYR A 59 9.156 20.552 -11.053 1.00 0.00 C ATOM 589 O TYR A 59 9.432 21.526 -11.747 1.00 0.00 O ATOM 590 CB TYR A 59 10.211 19.745 -8.885 1.00 0.00 C ATOM 591 CG TYR A 59 11.584 19.863 -9.502 1.00 0.00 C ATOM 592 CD1 TYR A 59 12.516 20.814 -9.042 1.00 0.00 C ATOM 593 CD2 TYR A 59 11.907 19.013 -10.573 1.00 0.00 C ATOM 594 CE1 TYR A 59 13.768 20.916 -9.680 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.147 19.115 -11.217 1.00 0.00 C ATOM 596 CZ TYR A 59 14.091 20.064 -10.761 1.00 0.00 C ATOM 597 OH TYR A 59 15.319 20.158 -11.325 1.00 0.00 O ATOM 0 H TYR A 59 7.861 19.506 -8.378 1.00 0.00 H new ATOM 0 HA TYR A 59 9.411 21.692 -9.279 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.281 19.975 -7.822 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.875 18.711 -8.967 1.00 0.00 H new ATOM 0 HD1 TYR A 59 12.273 21.458 -8.209 1.00 0.00 H new ATOM 0 HD2 TYR A 59 11.192 18.274 -10.903 1.00 0.00 H new ATOM 0 HE1 TYR A 59 14.485 21.649 -9.341 1.00 0.00 H new ATOM 0 HE2 TYR A 59 13.380 18.474 -12.055 1.00 0.00 H new ATOM 0 HH TYR A 59 15.597 19.277 -11.651 1.00 0.00 H new ATOM 607 N ILE A 60 8.738 19.405 -11.596 1.00 0.00 N ATOM 608 CA ILE A 60 8.619 19.168 -13.043 1.00 0.00 C ATOM 609 C ILE A 60 7.692 20.207 -13.690 1.00 0.00 C ATOM 610 O ILE A 60 8.002 20.700 -14.774 1.00 0.00 O ATOM 611 CB ILE A 60 8.172 17.704 -13.276 1.00 0.00 C ATOM 612 CG1 ILE A 60 9.376 16.754 -13.050 1.00 0.00 C ATOM 613 CG2 ILE A 60 7.574 17.487 -14.681 1.00 0.00 C ATOM 614 CD1 ILE A 60 8.963 15.300 -12.782 1.00 0.00 C ATOM 0 H ILE A 60 8.467 18.598 -11.034 1.00 0.00 H new ATOM 0 HA ILE A 60 9.584 19.296 -13.533 1.00 0.00 H new ATOM 0 HB ILE A 60 7.382 17.480 -12.559 1.00 0.00 H new ATOM 0 HG12 ILE A 60 10.023 16.784 -13.927 1.00 0.00 H new ATOM 0 HG13 ILE A 60 9.964 17.118 -12.207 1.00 0.00 H new ATOM 0 HG21 ILE A 60 7.277 16.444 -14.793 1.00 0.00 H new ATOM 0 HG22 ILE A 60 6.702 18.129 -14.808 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.320 17.734 -15.436 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.854 14.690 -12.633 1.00 0.00 H new ATOM 0 HD12 ILE A 60 8.340 15.257 -11.888 1.00 0.00 H new ATOM 0 HD13 ILE A 60 8.401 14.918 -13.634 1.00 0.00 H new ATOM 626 N MET A 61 6.615 20.615 -13.015 1.00 0.00 N ATOM 627 CA MET A 61 5.712 21.660 -13.506 1.00 0.00 C ATOM 628 C MET A 61 6.320 23.071 -13.497 1.00 0.00 C ATOM 629 O MET A 61 6.121 23.805 -14.464 1.00 0.00 O ATOM 630 CB MET A 61 4.391 21.640 -12.718 1.00 0.00 C ATOM 631 CG MET A 61 3.451 20.496 -13.129 1.00 0.00 C ATOM 632 SD MET A 61 3.021 20.358 -14.893 1.00 0.00 S ATOM 633 CE MET A 61 2.770 22.098 -15.354 1.00 0.00 C ATOM 0 H MET A 61 6.343 20.230 -12.111 1.00 0.00 H new ATOM 0 HA MET A 61 5.524 21.424 -14.553 1.00 0.00 H new ATOM 0 HB2 MET A 61 4.613 21.553 -11.654 1.00 0.00 H new ATOM 0 HB3 MET A 61 3.877 22.591 -12.860 1.00 0.00 H new ATOM 0 HG2 MET A 61 3.908 19.556 -12.819 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.525 20.601 -12.564 1.00 0.00 H new ATOM 0 HE1 MET A 61 2.268 22.150 -16.320 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.156 22.590 -14.599 1.00 0.00 H new ATOM 0 HE3 MET A 61 3.735 22.600 -15.420 1.00 0.00 H new ATOM 643 N VAL A 62 7.064 23.473 -12.457 1.00 0.00 N ATOM 644 CA VAL A 62 7.683 24.813 -12.365 1.00 0.00 C ATOM 645 C VAL A 62 8.960 24.942 -13.205 1.00 0.00 C ATOM 646 O VAL A 62 9.302 26.031 -13.668 1.00 0.00 O ATOM 647 CB VAL A 62 7.867 25.224 -10.893 1.00 0.00 C ATOM 648 CG1 VAL A 62 8.972 24.481 -10.143 1.00 0.00 C ATOM 649 CG2 VAL A 62 8.154 26.715 -10.777 1.00 0.00 C ATOM 0 H VAL A 62 7.257 22.879 -11.650 1.00 0.00 H new ATOM 0 HA VAL A 62 6.994 25.530 -12.812 1.00 0.00 H new ATOM 0 HB VAL A 62 6.919 24.954 -10.427 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.021 24.842 -9.116 1.00 0.00 H new ATOM 0 HG12 VAL A 62 8.756 23.413 -10.142 1.00 0.00 H new ATOM 0 HG13 VAL A 62 9.928 24.657 -10.636 1.00 0.00 H new ATOM 0 HG21 VAL A 62 8.280 26.981 -9.727 1.00 0.00 H new ATOM 0 HG22 VAL A 62 9.066 26.954 -11.324 1.00 0.00 H new ATOM 0 HG23 VAL A 62 7.321 27.280 -11.197 1.00 0.00 H new ATOM 659 N LYS A 63 9.638 23.813 -13.440 1.00 0.00 N ATOM 660 CA LYS A 63 10.812 23.679 -14.323 1.00 0.00 C ATOM 661 C LYS A 63 10.445 23.296 -15.768 1.00 0.00 C ATOM 662 O LYS A 63 11.281 23.432 -16.660 1.00 0.00 O ATOM 663 CB LYS A 63 11.838 22.701 -13.700 1.00 0.00 C ATOM 664 CG LYS A 63 12.335 23.044 -12.278 1.00 0.00 C ATOM 665 CD LYS A 63 12.598 24.537 -12.040 1.00 0.00 C ATOM 666 CE LYS A 63 13.291 24.746 -10.685 1.00 0.00 C ATOM 667 NZ LYS A 63 13.607 26.183 -10.443 1.00 0.00 N ATOM 0 H LYS A 63 9.376 22.929 -13.004 1.00 0.00 H new ATOM 0 HA LYS A 63 11.275 24.663 -14.401 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.392 21.707 -13.676 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.703 22.646 -14.361 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.596 22.698 -11.555 1.00 0.00 H new ATOM 0 HG3 LYS A 63 13.254 22.491 -12.084 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.221 24.936 -12.840 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.658 25.087 -12.064 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.648 24.375 -9.887 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.210 24.161 -10.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 14.074 26.285 -9.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.240 26.530 -11.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 12.727 26.738 -10.449 1.00 0.00 H new ATOM 681 N GLN A 64 9.206 22.844 -16.007 1.00 0.00 N ATOM 682 CA GLN A 64 8.682 22.356 -17.285 1.00 0.00 C ATOM 683 C GLN A 64 9.558 21.261 -17.938 1.00 0.00 C ATOM 684 O GLN A 64 10.085 21.437 -19.040 1.00 0.00 O ATOM 685 CB GLN A 64 8.317 23.487 -18.272 1.00 0.00 C ATOM 686 CG GLN A 64 7.277 24.503 -17.775 1.00 0.00 C ATOM 687 CD GLN A 64 7.876 25.656 -16.972 1.00 0.00 C ATOM 688 OE1 GLN A 64 8.841 26.304 -17.361 1.00 0.00 O ATOM 689 NE2 GLN A 64 7.316 25.979 -15.829 1.00 0.00 N ATOM 0 H GLN A 64 8.504 22.808 -15.268 1.00 0.00 H new ATOM 0 HA GLN A 64 7.742 21.868 -17.027 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.229 24.026 -18.530 1.00 0.00 H new ATOM 0 HB3 GLN A 64 7.944 23.035 -19.191 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.741 24.910 -18.633 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.543 23.985 -17.157 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.512 25.452 -15.488 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.685 26.757 -15.282 1.00 0.00 H new ATOM 698 N LEU A 65 9.710 20.112 -17.262 1.00 0.00 N ATOM 699 CA LEU A 65 10.421 18.939 -17.809 1.00 0.00 C ATOM 700 C LEU A 65 9.496 18.002 -18.612 1.00 0.00 C ATOM 701 O LEU A 65 9.954 17.036 -19.220 1.00 0.00 O ATOM 702 CB LEU A 65 11.185 18.203 -16.699 1.00 0.00 C ATOM 703 CG LEU A 65 12.237 19.060 -15.969 1.00 0.00 C ATOM 704 CD1 LEU A 65 13.032 18.153 -15.040 1.00 0.00 C ATOM 705 CD2 LEU A 65 13.235 19.755 -16.898 1.00 0.00 C ATOM 0 H LEU A 65 9.345 19.967 -16.321 1.00 0.00 H new ATOM 0 HA LEU A 65 11.154 19.306 -18.528 1.00 0.00 H new ATOM 0 HB2 LEU A 65 10.468 17.830 -15.968 1.00 0.00 H new ATOM 0 HB3 LEU A 65 11.680 17.334 -17.131 1.00 0.00 H new ATOM 0 HG LEU A 65 11.687 19.840 -15.443 1.00 0.00 H new ATOM 0 HD11 LEU A 65 13.783 18.741 -14.513 1.00 0.00 H new ATOM 0 HD12 LEU A 65 12.359 17.692 -14.317 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.524 17.375 -15.624 1.00 0.00 H new ATOM 0 HD21 LEU A 65 13.940 20.337 -16.305 1.00 0.00 H new ATOM 0 HD22 LEU A 65 13.778 19.006 -17.475 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.699 20.418 -17.577 1.00 0.00 H new ATOM 717 N TYR A 66 8.193 18.288 -18.626 1.00 0.00 N ATOM 718 CA TYR A 66 7.195 17.610 -19.451 1.00 0.00 C ATOM 719 C TYR A 66 7.121 18.212 -20.863 1.00 0.00 C ATOM 720 O TYR A 66 7.477 19.377 -21.070 1.00 0.00 O ATOM 721 CB TYR A 66 5.829 17.650 -18.746 1.00 0.00 C ATOM 722 CG TYR A 66 5.244 19.050 -18.641 1.00 0.00 C ATOM 723 CD1 TYR A 66 5.613 19.900 -17.578 1.00 0.00 C ATOM 724 CD2 TYR A 66 4.385 19.527 -19.652 1.00 0.00 C ATOM 725 CE1 TYR A 66 5.164 21.234 -17.559 1.00 0.00 C ATOM 726 CE2 TYR A 66 3.924 20.858 -19.626 1.00 0.00 C ATOM 727 CZ TYR A 66 4.326 21.720 -18.583 1.00 0.00 C ATOM 728 OH TYR A 66 3.911 23.018 -18.553 1.00 0.00 O ATOM 0 H TYR A 66 7.791 19.023 -18.043 1.00 0.00 H new ATOM 0 HA TYR A 66 7.494 16.569 -19.574 1.00 0.00 H new ATOM 0 HB2 TYR A 66 5.130 17.012 -19.287 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.933 17.232 -17.745 1.00 0.00 H new ATOM 0 HD1 TYR A 66 6.239 19.528 -16.780 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.079 18.868 -20.451 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.464 21.889 -16.755 1.00 0.00 H new ATOM 0 HE2 TYR A 66 3.265 21.218 -20.402 1.00 0.00 H new ATOM 0 HH TYR A 66 3.340 23.197 -19.329 1.00 0.00 H new ATOM 738 N ASP A 67 6.629 17.439 -21.836 1.00 0.00 N ATOM 739 CA ASP A 67 6.301 17.976 -23.162 1.00 0.00 C ATOM 740 C ASP A 67 4.862 18.514 -23.161 1.00 0.00 C ATOM 741 O ASP A 67 3.933 17.786 -22.811 1.00 0.00 O ATOM 742 CB ASP A 67 6.516 16.920 -24.259 1.00 0.00 C ATOM 743 CG ASP A 67 6.467 17.530 -25.673 1.00 0.00 C ATOM 744 OD1 ASP A 67 5.552 18.335 -25.974 1.00 0.00 O ATOM 745 OD2 ASP A 67 7.349 17.215 -26.503 1.00 0.00 O ATOM 0 H ASP A 67 6.449 16.440 -21.731 1.00 0.00 H new ATOM 0 HA ASP A 67 6.976 18.802 -23.386 1.00 0.00 H new ATOM 0 HB2 ASP A 67 7.480 16.433 -24.108 1.00 0.00 H new ATOM 0 HB3 ASP A 67 5.752 16.148 -24.172 1.00 0.00 H new ATOM 750 N GLN A 68 4.650 19.770 -23.573 1.00 0.00 N ATOM 751 CA GLN A 68 3.313 20.378 -23.631 1.00 0.00 C ATOM 752 C GLN A 68 2.294 19.583 -24.472 1.00 0.00 C ATOM 753 O GLN A 68 1.099 19.623 -24.170 1.00 0.00 O ATOM 754 CB GLN A 68 3.403 21.831 -24.137 1.00 0.00 C ATOM 755 CG GLN A 68 3.803 22.027 -25.617 1.00 0.00 C ATOM 756 CD GLN A 68 5.313 22.161 -25.831 1.00 0.00 C ATOM 757 OE1 GLN A 68 5.868 23.252 -25.790 1.00 0.00 O ATOM 758 NE2 GLN A 68 6.057 21.095 -26.053 1.00 0.00 N ATOM 0 H GLN A 68 5.399 20.393 -23.875 1.00 0.00 H new ATOM 0 HA GLN A 68 2.936 20.361 -22.608 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.435 22.306 -23.980 1.00 0.00 H new ATOM 0 HB3 GLN A 68 4.124 22.363 -23.516 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.436 21.182 -26.199 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.309 22.919 -26.003 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.626 20.171 -26.093 1.00 0.00 H new ATOM 0 HE22 GLN A 68 7.064 21.194 -26.185 1.00 0.00 H new ATOM 767 N GLN A 69 2.754 18.874 -25.512 1.00 0.00 N ATOM 768 CA GLN A 69 1.913 18.229 -26.515 1.00 0.00 C ATOM 769 C GLN A 69 1.628 16.744 -26.193 1.00 0.00 C ATOM 770 O GLN A 69 0.653 16.168 -26.677 1.00 0.00 O ATOM 771 CB GLN A 69 2.558 18.468 -27.890 1.00 0.00 C ATOM 772 CG GLN A 69 3.528 17.374 -28.351 1.00 0.00 C ATOM 773 CD GLN A 69 4.563 17.910 -29.336 1.00 0.00 C ATOM 774 OE1 GLN A 69 4.353 17.970 -30.542 1.00 0.00 O ATOM 775 NE2 GLN A 69 5.711 18.339 -28.856 1.00 0.00 N ATOM 0 H GLN A 69 3.750 18.733 -25.678 1.00 0.00 H new ATOM 0 HA GLN A 69 0.918 18.674 -26.517 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.767 18.567 -28.633 1.00 0.00 H new ATOM 0 HB3 GLN A 69 3.092 19.418 -27.864 1.00 0.00 H new ATOM 0 HG2 GLN A 69 4.036 16.951 -27.485 1.00 0.00 H new ATOM 0 HG3 GLN A 69 2.967 16.565 -28.818 1.00 0.00 H new ATOM 0 HE21 GLN A 69 5.894 18.293 -27.854 1.00 0.00 H new ATOM 0 HE22 GLN A 69 6.418 18.718 -29.486 1.00 0.00 H new ATOM 784 N GLU A 70 2.481 16.138 -25.358 1.00 0.00 N ATOM 785 CA GLU A 70 2.448 14.745 -24.893 1.00 0.00 C ATOM 786 C GLU A 70 2.826 14.704 -23.401 1.00 0.00 C ATOM 787 O GLU A 70 3.892 14.223 -23.012 1.00 0.00 O ATOM 788 CB GLU A 70 3.383 13.866 -25.749 1.00 0.00 C ATOM 789 CG GLU A 70 2.831 13.632 -27.159 1.00 0.00 C ATOM 790 CD GLU A 70 3.586 12.494 -27.870 1.00 0.00 C ATOM 791 OE1 GLU A 70 4.600 12.765 -28.562 1.00 0.00 O ATOM 792 OE2 GLU A 70 3.161 11.317 -27.757 1.00 0.00 O ATOM 0 H GLU A 70 3.271 16.646 -24.960 1.00 0.00 H new ATOM 0 HA GLU A 70 1.442 14.340 -25.005 1.00 0.00 H new ATOM 0 HB2 GLU A 70 4.362 14.341 -25.818 1.00 0.00 H new ATOM 0 HB3 GLU A 70 3.529 12.906 -25.254 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.770 13.388 -27.101 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.916 14.549 -27.743 1.00 0.00 H new ATOM 799 N GLN A 71 1.942 15.245 -22.553 1.00 0.00 N ATOM 800 CA GLN A 71 2.207 15.498 -21.124 1.00 0.00 C ATOM 801 C GLN A 71 2.471 14.225 -20.300 1.00 0.00 C ATOM 802 O GLN A 71 3.058 14.308 -19.218 1.00 0.00 O ATOM 803 CB GLN A 71 1.042 16.310 -20.533 1.00 0.00 C ATOM 804 CG GLN A 71 1.092 17.753 -21.058 1.00 0.00 C ATOM 805 CD GLN A 71 -0.151 18.589 -20.766 1.00 0.00 C ATOM 806 OE1 GLN A 71 -0.871 18.404 -19.791 1.00 0.00 O ATOM 807 NE2 GLN A 71 -0.438 19.562 -21.606 1.00 0.00 N ATOM 0 H GLN A 71 1.005 15.525 -22.842 1.00 0.00 H new ATOM 0 HA GLN A 71 3.134 16.068 -21.065 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.092 15.848 -20.802 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.101 16.307 -19.445 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.958 18.252 -20.623 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.248 17.726 -22.136 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.155 19.724 -22.420 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -1.253 20.153 -21.442 1.00 0.00 H new ATOM 816 N HIS A 72 2.105 13.048 -20.827 1.00 0.00 N ATOM 817 CA HIS A 72 2.488 11.755 -20.251 1.00 0.00 C ATOM 818 C HIS A 72 4.012 11.544 -20.227 1.00 0.00 C ATOM 819 O HIS A 72 4.504 10.888 -19.308 1.00 0.00 O ATOM 820 CB HIS A 72 1.775 10.608 -20.990 1.00 0.00 C ATOM 821 CG HIS A 72 2.069 10.517 -22.469 1.00 0.00 C ATOM 822 ND1 HIS A 72 3.209 9.944 -23.037 1.00 0.00 N ATOM 823 CD2 HIS A 72 1.258 10.969 -23.470 1.00 0.00 C ATOM 824 CE1 HIS A 72 3.067 10.078 -24.366 1.00 0.00 C ATOM 825 NE2 HIS A 72 1.901 10.681 -24.654 1.00 0.00 N ATOM 0 H HIS A 72 1.533 12.968 -21.668 1.00 0.00 H new ATOM 0 HA HIS A 72 2.165 11.756 -19.210 1.00 0.00 H new ATOM 0 HB2 HIS A 72 2.055 9.665 -20.521 1.00 0.00 H new ATOM 0 HB3 HIS A 72 0.699 10.723 -20.856 1.00 0.00 H new ATOM 0 HD2 HIS A 72 0.301 11.456 -23.356 1.00 0.00 H new ATOM 0 HE1 HIS A 72 3.788 9.748 -25.099 1.00 0.00 H new ATOM 0 HE2 HIS A 72 1.552 10.890 -25.589 1.00 0.00 H new ATOM 833 N MET A 73 4.765 12.123 -21.172 1.00 0.00 N ATOM 834 CA MET A 73 6.228 12.057 -21.200 1.00 0.00 C ATOM 835 C MET A 73 6.908 13.172 -20.400 1.00 0.00 C ATOM 836 O MET A 73 6.478 14.330 -20.393 1.00 0.00 O ATOM 837 CB MET A 73 6.790 12.031 -22.630 1.00 0.00 C ATOM 838 CG MET A 73 6.662 10.650 -23.282 1.00 0.00 C ATOM 839 SD MET A 73 7.962 10.252 -24.486 1.00 0.00 S ATOM 840 CE MET A 73 9.353 9.901 -23.366 1.00 0.00 C ATOM 0 H MET A 73 4.369 12.656 -21.946 1.00 0.00 H new ATOM 0 HA MET A 73 6.465 11.111 -20.713 1.00 0.00 H new ATOM 0 HB2 MET A 73 6.264 12.767 -23.238 1.00 0.00 H new ATOM 0 HB3 MET A 73 7.839 12.325 -22.611 1.00 0.00 H new ATOM 0 HG2 MET A 73 6.668 9.892 -22.499 1.00 0.00 H new ATOM 0 HG3 MET A 73 5.694 10.587 -23.779 1.00 0.00 H new ATOM 0 HE1 MET A 73 10.289 10.176 -23.852 1.00 0.00 H new ATOM 0 HE2 MET A 73 9.237 10.479 -22.449 1.00 0.00 H new ATOM 0 HE3 MET A 73 9.367 8.838 -23.126 1.00 0.00 H new ATOM 850 N VAL A 74 8.044 12.812 -19.798 1.00 0.00 N ATOM 851 CA VAL A 74 8.960 13.703 -19.079 1.00 0.00 C ATOM 852 C VAL A 74 10.386 13.447 -19.575 1.00 0.00 C ATOM 853 O VAL A 74 10.829 12.299 -19.653 1.00 0.00 O ATOM 854 CB VAL A 74 8.876 13.508 -17.549 1.00 0.00 C ATOM 855 CG1 VAL A 74 9.448 14.714 -16.800 1.00 0.00 C ATOM 856 CG2 VAL A 74 7.444 13.307 -17.032 1.00 0.00 C ATOM 0 H VAL A 74 8.366 11.844 -19.798 1.00 0.00 H new ATOM 0 HA VAL A 74 8.671 14.735 -19.281 1.00 0.00 H new ATOM 0 HB VAL A 74 9.457 12.606 -17.359 1.00 0.00 H new ATOM 0 HG11 VAL A 74 9.373 14.544 -15.726 1.00 0.00 H new ATOM 0 HG12 VAL A 74 10.494 14.850 -17.074 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.884 15.608 -17.066 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.463 13.177 -15.950 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.841 14.180 -17.282 1.00 0.00 H new ATOM 0 HG23 VAL A 74 7.010 12.421 -17.497 1.00 0.00 H new ATOM 866 N TYR A 75 11.103 14.518 -19.910 1.00 0.00 N ATOM 867 CA TYR A 75 12.513 14.510 -20.298 1.00 0.00 C ATOM 868 C TYR A 75 13.326 15.226 -19.215 1.00 0.00 C ATOM 869 O TYR A 75 13.325 16.456 -19.128 1.00 0.00 O ATOM 870 CB TYR A 75 12.675 15.165 -21.682 1.00 0.00 C ATOM 871 CG TYR A 75 14.120 15.318 -22.136 1.00 0.00 C ATOM 872 CD1 TYR A 75 14.779 14.246 -22.765 1.00 0.00 C ATOM 873 CD2 TYR A 75 14.814 16.526 -21.916 1.00 0.00 C ATOM 874 CE1 TYR A 75 16.127 14.369 -23.154 1.00 0.00 C ATOM 875 CE2 TYR A 75 16.161 16.655 -22.306 1.00 0.00 C ATOM 876 CZ TYR A 75 16.824 15.574 -22.925 1.00 0.00 C ATOM 877 OH TYR A 75 18.129 15.682 -23.302 1.00 0.00 O ATOM 0 H TYR A 75 10.700 15.455 -19.919 1.00 0.00 H new ATOM 0 HA TYR A 75 12.886 13.489 -20.381 1.00 0.00 H new ATOM 0 HB2 TYR A 75 12.136 14.569 -22.419 1.00 0.00 H new ATOM 0 HB3 TYR A 75 12.206 16.149 -21.663 1.00 0.00 H new ATOM 0 HD1 TYR A 75 14.248 13.324 -22.951 1.00 0.00 H new ATOM 0 HD2 TYR A 75 14.309 17.357 -21.446 1.00 0.00 H new ATOM 0 HE1 TYR A 75 16.628 13.539 -23.629 1.00 0.00 H new ATOM 0 HE2 TYR A 75 16.687 17.582 -22.131 1.00 0.00 H new ATOM 0 HH TYR A 75 18.462 16.575 -23.075 1.00 0.00 H new ATOM 887 N CYS A 76 14.026 14.454 -18.381 1.00 0.00 N ATOM 888 CA CYS A 76 14.920 14.977 -17.346 1.00 0.00 C ATOM 889 C CYS A 76 16.409 14.868 -17.744 1.00 0.00 C ATOM 890 O CYS A 76 17.288 15.084 -16.909 1.00 0.00 O ATOM 891 CB CYS A 76 14.637 14.299 -15.998 1.00 0.00 C ATOM 892 SG CYS A 76 12.857 14.233 -15.617 1.00 0.00 S ATOM 0 H CYS A 76 13.987 13.435 -18.406 1.00 0.00 H new ATOM 0 HA CYS A 76 14.713 16.042 -17.240 1.00 0.00 H new ATOM 0 HB2 CYS A 76 15.041 13.287 -16.011 1.00 0.00 H new ATOM 0 HB3 CYS A 76 15.156 14.839 -15.206 1.00 0.00 H new ATOM 0 HG CYS A 76 12.680 13.648 -14.469 1.00 0.00 H new ATOM 898 N GLY A 77 16.711 14.520 -19.004 1.00 0.00 N ATOM 899 CA GLY A 77 18.070 14.259 -19.505 1.00 0.00 C ATOM 900 C GLY A 77 19.035 15.451 -19.402 1.00 0.00 C ATOM 901 O GLY A 77 20.241 15.254 -19.245 1.00 0.00 O ATOM 0 H GLY A 77 15.996 14.409 -19.723 1.00 0.00 H new ATOM 0 HA2 GLY A 77 18.491 13.420 -18.951 1.00 0.00 H new ATOM 0 HA3 GLY A 77 18.005 13.952 -20.549 1.00 0.00 H new ATOM 905 N GLY A 78 18.505 16.680 -19.429 1.00 0.00 N ATOM 906 CA GLY A 78 19.255 17.927 -19.213 1.00 0.00 C ATOM 907 C GLY A 78 19.367 18.379 -17.745 1.00 0.00 C ATOM 908 O GLY A 78 19.923 19.447 -17.483 1.00 0.00 O ATOM 0 H GLY A 78 17.514 16.841 -19.607 1.00 0.00 H new ATOM 0 HA2 GLY A 78 20.260 17.802 -19.616 1.00 0.00 H new ATOM 0 HA3 GLY A 78 18.779 18.723 -19.786 1.00 0.00 H new ATOM 912 N ASP A 79 18.829 17.608 -16.793 1.00 0.00 N ATOM 913 CA ASP A 79 18.758 17.943 -15.361 1.00 0.00 C ATOM 914 C ASP A 79 19.680 17.058 -14.495 1.00 0.00 C ATOM 915 O ASP A 79 20.302 16.115 -14.984 1.00 0.00 O ATOM 916 CB ASP A 79 17.287 17.831 -14.910 1.00 0.00 C ATOM 917 CG ASP A 79 16.995 18.516 -13.563 1.00 0.00 C ATOM 918 OD1 ASP A 79 17.782 19.390 -13.131 1.00 0.00 O ATOM 919 OD2 ASP A 79 15.983 18.157 -12.919 1.00 0.00 O ATOM 0 H ASP A 79 18.415 16.700 -17.004 1.00 0.00 H new ATOM 0 HA ASP A 79 19.118 18.963 -15.222 1.00 0.00 H new ATOM 0 HB2 ASP A 79 16.648 18.270 -15.676 1.00 0.00 H new ATOM 0 HB3 ASP A 79 17.019 16.777 -14.836 1.00 0.00 H new ATOM 924 N LEU A 80 19.723 17.313 -13.182 1.00 0.00 N ATOM 925 CA LEU A 80 20.403 16.481 -12.179 1.00 0.00 C ATOM 926 C LEU A 80 20.003 14.995 -12.251 1.00 0.00 C ATOM 927 O LEU A 80 20.849 14.120 -12.070 1.00 0.00 O ATOM 928 CB LEU A 80 20.061 17.026 -10.778 1.00 0.00 C ATOM 929 CG LEU A 80 20.684 18.386 -10.412 1.00 0.00 C ATOM 930 CD1 LEU A 80 20.171 18.820 -9.036 1.00 0.00 C ATOM 931 CD2 LEU A 80 22.212 18.331 -10.353 1.00 0.00 C ATOM 0 H LEU A 80 19.271 18.131 -12.774 1.00 0.00 H new ATOM 0 HA LEU A 80 21.473 16.532 -12.383 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.977 17.112 -10.698 1.00 0.00 H new ATOM 0 HB3 LEU A 80 20.378 16.292 -10.037 1.00 0.00 H new ATOM 0 HG LEU A 80 20.396 19.093 -11.190 1.00 0.00 H new ATOM 0 HD11 LEU A 80 20.609 19.783 -8.771 1.00 0.00 H new ATOM 0 HD12 LEU A 80 19.085 18.911 -9.065 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.453 18.076 -8.291 1.00 0.00 H new ATOM 0 HD21 LEU A 80 22.602 19.315 -10.091 1.00 0.00 H new ATOM 0 HD22 LEU A 80 22.521 17.606 -9.600 1.00 0.00 H new ATOM 0 HD23 LEU A 80 22.603 18.033 -11.326 1.00 0.00 H new ATOM 943 N LEU A 81 18.736 14.693 -12.564 1.00 0.00 N ATOM 944 CA LEU A 81 18.283 13.307 -12.771 1.00 0.00 C ATOM 945 C LEU A 81 19.034 12.653 -13.941 1.00 0.00 C ATOM 946 O LEU A 81 19.564 11.549 -13.810 1.00 0.00 O ATOM 947 CB LEU A 81 16.761 13.280 -13.021 1.00 0.00 C ATOM 948 CG LEU A 81 15.886 13.756 -11.849 1.00 0.00 C ATOM 949 CD1 LEU A 81 14.409 13.727 -12.232 1.00 0.00 C ATOM 950 CD2 LEU A 81 16.065 12.870 -10.617 1.00 0.00 C ATOM 0 H LEU A 81 18.002 15.392 -12.680 1.00 0.00 H new ATOM 0 HA LEU A 81 18.502 12.734 -11.870 1.00 0.00 H new ATOM 0 HB2 LEU A 81 16.543 13.901 -13.890 1.00 0.00 H new ATOM 0 HB3 LEU A 81 16.471 12.261 -13.277 1.00 0.00 H new ATOM 0 HG LEU A 81 16.202 14.773 -11.618 1.00 0.00 H new ATOM 0 HD11 LEU A 81 13.808 14.067 -11.389 1.00 0.00 H new ATOM 0 HD12 LEU A 81 14.242 14.384 -13.086 1.00 0.00 H new ATOM 0 HD13 LEU A 81 14.121 12.709 -12.495 1.00 0.00 H new ATOM 0 HD21 LEU A 81 15.431 13.237 -9.810 1.00 0.00 H new ATOM 0 HD22 LEU A 81 15.784 11.846 -10.862 1.00 0.00 H new ATOM 0 HD23 LEU A 81 17.107 12.894 -10.300 1.00 0.00 H new ATOM 962 N GLY A 82 19.122 13.353 -15.073 1.00 0.00 N ATOM 963 CA GLY A 82 19.859 12.903 -16.249 1.00 0.00 C ATOM 964 C GLY A 82 21.376 12.858 -16.038 1.00 0.00 C ATOM 965 O GLY A 82 22.018 11.929 -16.522 1.00 0.00 O ATOM 0 H GLY A 82 18.676 14.262 -15.198 1.00 0.00 H new ATOM 0 HA2 GLY A 82 19.509 11.909 -16.529 1.00 0.00 H new ATOM 0 HA3 GLY A 82 19.636 13.567 -17.084 1.00 0.00 H new ATOM 969 N GLU A 83 21.959 13.777 -15.260 1.00 0.00 N ATOM 970 CA GLU A 83 23.398 13.758 -14.958 1.00 0.00 C ATOM 971 C GLU A 83 23.781 12.623 -13.985 1.00 0.00 C ATOM 972 O GLU A 83 24.884 12.076 -14.085 1.00 0.00 O ATOM 973 CB GLU A 83 23.873 15.162 -14.530 1.00 0.00 C ATOM 974 CG GLU A 83 23.992 15.443 -13.024 1.00 0.00 C ATOM 975 CD GLU A 83 25.373 15.071 -12.439 1.00 0.00 C ATOM 976 OE1 GLU A 83 26.403 15.639 -12.880 1.00 0.00 O ATOM 977 OE2 GLU A 83 25.442 14.242 -11.499 1.00 0.00 O ATOM 0 H GLU A 83 21.454 14.549 -14.825 1.00 0.00 H new ATOM 0 HA GLU A 83 23.946 13.515 -15.869 1.00 0.00 H new ATOM 0 HB2 GLU A 83 24.848 15.340 -14.983 1.00 0.00 H new ATOM 0 HB3 GLU A 83 23.186 15.894 -14.955 1.00 0.00 H new ATOM 0 HG2 GLU A 83 23.802 16.501 -12.843 1.00 0.00 H new ATOM 0 HG3 GLU A 83 23.219 14.885 -12.495 1.00 0.00 H new ATOM 984 N LEU A 84 22.856 12.207 -13.105 1.00 0.00 N ATOM 985 CA LEU A 84 23.007 11.060 -12.215 1.00 0.00 C ATOM 986 C LEU A 84 22.871 9.715 -12.960 1.00 0.00 C ATOM 987 O LEU A 84 23.751 8.859 -12.846 1.00 0.00 O ATOM 988 CB LEU A 84 21.969 11.220 -11.083 1.00 0.00 C ATOM 989 CG LEU A 84 21.809 9.988 -10.183 1.00 0.00 C ATOM 990 CD1 LEU A 84 23.075 9.659 -9.391 1.00 0.00 C ATOM 991 CD2 LEU A 84 20.661 10.192 -9.198 1.00 0.00 C ATOM 0 H LEU A 84 21.958 12.678 -12.995 1.00 0.00 H new ATOM 0 HA LEU A 84 24.013 11.039 -11.796 1.00 0.00 H new ATOM 0 HB2 LEU A 84 22.254 12.071 -10.464 1.00 0.00 H new ATOM 0 HB3 LEU A 84 21.002 11.458 -11.526 1.00 0.00 H new ATOM 0 HG LEU A 84 21.600 9.152 -10.851 1.00 0.00 H new ATOM 0 HD11 LEU A 84 22.899 8.778 -8.773 1.00 0.00 H new ATOM 0 HD12 LEU A 84 23.895 9.460 -10.081 1.00 0.00 H new ATOM 0 HD13 LEU A 84 23.335 10.504 -8.753 1.00 0.00 H new ATOM 0 HD21 LEU A 84 20.561 9.309 -8.567 1.00 0.00 H new ATOM 0 HD22 LEU A 84 20.867 11.062 -8.574 1.00 0.00 H new ATOM 0 HD23 LEU A 84 19.734 10.351 -9.748 1.00 0.00 H new ATOM 1003 N LEU A 85 21.772 9.515 -13.703 1.00 0.00 N ATOM 1004 CA LEU A 85 21.398 8.212 -14.284 1.00 0.00 C ATOM 1005 C LEU A 85 21.819 8.015 -15.753 1.00 0.00 C ATOM 1006 O LEU A 85 21.789 6.890 -16.250 1.00 0.00 O ATOM 1007 CB LEU A 85 19.870 8.024 -14.103 1.00 0.00 C ATOM 1008 CG LEU A 85 19.402 6.797 -13.293 1.00 0.00 C ATOM 1009 CD1 LEU A 85 19.834 5.470 -13.912 1.00 0.00 C ATOM 1010 CD2 LEU A 85 19.879 6.850 -11.842 1.00 0.00 C ATOM 0 H LEU A 85 21.110 10.260 -13.921 1.00 0.00 H new ATOM 0 HA LEU A 85 21.954 7.443 -13.747 1.00 0.00 H new ATOM 0 HB2 LEU A 85 19.474 8.918 -13.621 1.00 0.00 H new ATOM 0 HB3 LEU A 85 19.417 7.968 -15.093 1.00 0.00 H new ATOM 0 HG LEU A 85 18.313 6.845 -13.316 1.00 0.00 H new ATOM 0 HD11 LEU A 85 19.474 4.647 -13.295 1.00 0.00 H new ATOM 0 HD12 LEU A 85 19.415 5.383 -14.914 1.00 0.00 H new ATOM 0 HD13 LEU A 85 20.922 5.432 -13.969 1.00 0.00 H new ATOM 0 HD21 LEU A 85 19.526 5.966 -11.310 1.00 0.00 H new ATOM 0 HD22 LEU A 85 20.968 6.877 -11.818 1.00 0.00 H new ATOM 0 HD23 LEU A 85 19.483 7.745 -11.361 1.00 0.00 H new ATOM 1022 N GLY A 86 22.145 9.087 -16.477 1.00 0.00 N ATOM 1023 CA GLY A 86 22.524 9.079 -17.899 1.00 0.00 C ATOM 1024 C GLY A 86 21.363 9.019 -18.908 1.00 0.00 C ATOM 1025 O GLY A 86 21.570 9.346 -20.079 1.00 0.00 O ATOM 0 H GLY A 86 22.154 10.025 -16.076 1.00 0.00 H new ATOM 0 HA2 GLY A 86 23.110 9.975 -18.103 1.00 0.00 H new ATOM 0 HA3 GLY A 86 23.177 8.224 -18.075 1.00 0.00 H new ATOM 1029 N ARG A 87 20.149 8.616 -18.485 1.00 0.00 N ATOM 1030 CA ARG A 87 18.979 8.396 -19.374 1.00 0.00 C ATOM 1031 C ARG A 87 17.596 8.616 -18.747 1.00 0.00 C ATOM 1032 O ARG A 87 16.638 7.954 -19.133 1.00 0.00 O ATOM 1033 CB ARG A 87 19.094 7.028 -20.094 1.00 0.00 C ATOM 1034 CG ARG A 87 18.747 5.769 -19.275 1.00 0.00 C ATOM 1035 CD ARG A 87 19.700 5.526 -18.097 1.00 0.00 C ATOM 1036 NE ARG A 87 19.658 4.119 -17.650 1.00 0.00 N ATOM 1037 CZ ARG A 87 20.617 3.463 -17.017 1.00 0.00 C ATOM 1038 NH1 ARG A 87 21.685 4.057 -16.564 1.00 0.00 N ATOM 1039 NH2 ARG A 87 20.516 2.180 -16.822 1.00 0.00 N ATOM 0 H ARG A 87 19.945 8.430 -17.503 1.00 0.00 H new ATOM 0 HA ARG A 87 19.033 9.198 -20.110 1.00 0.00 H new ATOM 0 HB2 ARG A 87 18.445 7.051 -20.969 1.00 0.00 H new ATOM 0 HB3 ARG A 87 20.116 6.923 -20.458 1.00 0.00 H new ATOM 0 HG2 ARG A 87 17.729 5.860 -18.896 1.00 0.00 H new ATOM 0 HG3 ARG A 87 18.766 4.900 -19.933 1.00 0.00 H new ATOM 0 HD2 ARG A 87 20.717 5.786 -18.391 1.00 0.00 H new ATOM 0 HD3 ARG A 87 19.430 6.181 -17.268 1.00 0.00 H new ATOM 0 HE ARG A 87 18.803 3.600 -17.850 1.00 0.00 H new ATOM 0 HH11 ARG A 87 21.803 5.062 -16.693 1.00 0.00 H new ATOM 0 HH12 ARG A 87 22.403 3.517 -16.081 1.00 0.00 H new ATOM 0 HH21 ARG A 87 19.695 1.676 -17.158 1.00 0.00 H new ATOM 0 HH22 ARG A 87 21.258 1.678 -16.334 1.00 0.00 H new ATOM 1053 N GLN A 88 17.466 9.527 -17.778 1.00 0.00 N ATOM 1054 CA GLN A 88 16.187 9.807 -17.095 1.00 0.00 C ATOM 1055 C GLN A 88 15.157 10.503 -18.012 1.00 0.00 C ATOM 1056 O GLN A 88 14.872 11.692 -17.882 1.00 0.00 O ATOM 1057 CB GLN A 88 16.434 10.556 -15.768 1.00 0.00 C ATOM 1058 CG GLN A 88 16.745 9.612 -14.586 1.00 0.00 C ATOM 1059 CD GLN A 88 15.553 9.267 -13.684 1.00 0.00 C ATOM 1060 OE1 GLN A 88 14.398 9.554 -13.958 1.00 0.00 O ATOM 1061 NE2 GLN A 88 15.798 8.647 -12.544 1.00 0.00 N ATOM 0 H GLN A 88 18.243 10.095 -17.440 1.00 0.00 H new ATOM 0 HA GLN A 88 15.727 8.851 -16.843 1.00 0.00 H new ATOM 0 HB2 GLN A 88 17.264 11.250 -15.899 1.00 0.00 H new ATOM 0 HB3 GLN A 88 15.555 11.153 -15.526 1.00 0.00 H new ATOM 0 HG2 GLN A 88 17.158 8.685 -14.983 1.00 0.00 H new ATOM 0 HG3 GLN A 88 17.521 10.070 -13.973 1.00 0.00 H new ATOM 0 HE21 GLN A 88 16.755 8.398 -12.295 1.00 0.00 H new ATOM 0 HE22 GLN A 88 15.030 8.418 -11.913 1.00 0.00 H new ATOM 1070 N SER A 89 14.595 9.739 -18.949 1.00 0.00 N ATOM 1071 CA SER A 89 13.438 10.125 -19.774 1.00 0.00 C ATOM 1072 C SER A 89 12.445 8.967 -19.818 1.00 0.00 C ATOM 1073 O SER A 89 12.836 7.805 -19.962 1.00 0.00 O ATOM 1074 CB SER A 89 13.817 10.542 -21.196 1.00 0.00 C ATOM 1075 OG SER A 89 14.876 11.487 -21.192 1.00 0.00 O ATOM 0 H SER A 89 14.940 8.804 -19.166 1.00 0.00 H new ATOM 0 HA SER A 89 12.989 11.002 -19.307 1.00 0.00 H new ATOM 0 HB2 SER A 89 14.114 9.663 -21.768 1.00 0.00 H new ATOM 0 HB3 SER A 89 12.948 10.969 -21.696 1.00 0.00 H new ATOM 0 HG SER A 89 14.598 12.292 -21.676 1.00 0.00 H new ATOM 1081 N PHE A 90 11.160 9.280 -19.672 1.00 0.00 N ATOM 1082 CA PHE A 90 10.108 8.282 -19.447 1.00 0.00 C ATOM 1083 C PHE A 90 8.705 8.782 -19.783 1.00 0.00 C ATOM 1084 O PHE A 90 8.493 9.961 -20.067 1.00 0.00 O ATOM 1085 CB PHE A 90 10.163 7.872 -17.960 1.00 0.00 C ATOM 1086 CG PHE A 90 9.854 8.989 -16.971 1.00 0.00 C ATOM 1087 CD1 PHE A 90 10.883 9.825 -16.494 1.00 0.00 C ATOM 1088 CD2 PHE A 90 8.537 9.186 -16.514 1.00 0.00 C ATOM 1089 CE1 PHE A 90 10.607 10.817 -15.536 1.00 0.00 C ATOM 1090 CE2 PHE A 90 8.256 10.188 -15.567 1.00 0.00 C ATOM 1091 CZ PHE A 90 9.294 10.994 -15.067 1.00 0.00 C ATOM 0 H PHE A 90 10.813 10.239 -19.706 1.00 0.00 H new ATOM 0 HA PHE A 90 10.296 7.442 -20.115 1.00 0.00 H new ATOM 0 HB2 PHE A 90 9.457 7.058 -17.797 1.00 0.00 H new ATOM 0 HB3 PHE A 90 11.157 7.480 -17.743 1.00 0.00 H new ATOM 0 HD1 PHE A 90 11.890 9.703 -16.866 1.00 0.00 H new ATOM 0 HD2 PHE A 90 7.738 8.565 -16.892 1.00 0.00 H new ATOM 0 HE1 PHE A 90 11.404 11.442 -15.161 1.00 0.00 H new ATOM 0 HE2 PHE A 90 7.243 10.338 -15.224 1.00 0.00 H new ATOM 0 HZ PHE A 90 9.083 11.748 -14.323 1.00 0.00 H new ATOM 1101 N SER A 91 7.744 7.860 -19.707 1.00 0.00 N ATOM 1102 CA SER A 91 6.313 8.141 -19.757 1.00 0.00 C ATOM 1103 C SER A 91 5.613 7.569 -18.532 1.00 0.00 C ATOM 1104 O SER A 91 5.898 6.450 -18.103 1.00 0.00 O ATOM 1105 CB SER A 91 5.679 7.523 -20.988 1.00 0.00 C ATOM 1106 OG SER A 91 4.335 7.966 -21.054 1.00 0.00 O ATOM 0 H SER A 91 7.949 6.866 -19.606 1.00 0.00 H new ATOM 0 HA SER A 91 6.199 9.225 -19.787 1.00 0.00 H new ATOM 0 HB2 SER A 91 6.222 7.818 -21.886 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.720 6.435 -20.933 1.00 0.00 H new ATOM 0 HG SER A 91 4.234 8.596 -21.798 1.00 0.00 H new ATOM 1112 N VAL A 92 4.639 8.302 -18.004 1.00 0.00 N ATOM 1113 CA VAL A 92 3.802 7.845 -16.887 1.00 0.00 C ATOM 1114 C VAL A 92 2.800 6.748 -17.275 1.00 0.00 C ATOM 1115 O VAL A 92 2.249 6.093 -16.389 1.00 0.00 O ATOM 1116 CB VAL A 92 3.087 9.027 -16.207 1.00 0.00 C ATOM 1117 CG1 VAL A 92 4.073 10.075 -15.684 1.00 0.00 C ATOM 1118 CG2 VAL A 92 2.108 9.722 -17.153 1.00 0.00 C ATOM 0 H VAL A 92 4.402 9.237 -18.337 1.00 0.00 H new ATOM 0 HA VAL A 92 4.487 7.389 -16.172 1.00 0.00 H new ATOM 0 HB VAL A 92 2.541 8.594 -15.369 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.523 10.889 -15.213 1.00 0.00 H new ATOM 0 HG12 VAL A 92 4.738 9.616 -14.953 1.00 0.00 H new ATOM 0 HG13 VAL A 92 4.661 10.467 -16.514 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.625 10.550 -16.633 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.648 10.103 -18.020 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.351 9.009 -17.482 1.00 0.00 H new ATOM 1128 N LYS A 93 2.596 6.493 -18.581 1.00 0.00 N ATOM 1129 CA LYS A 93 1.778 5.367 -19.081 1.00 0.00 C ATOM 1130 C LYS A 93 2.495 4.005 -19.017 1.00 0.00 C ATOM 1131 O LYS A 93 1.863 2.967 -19.211 1.00 0.00 O ATOM 1132 CB LYS A 93 1.252 5.693 -20.492 1.00 0.00 C ATOM 1133 CG LYS A 93 2.258 5.387 -21.615 1.00 0.00 C ATOM 1134 CD LYS A 93 1.841 6.048 -22.934 1.00 0.00 C ATOM 1135 CE LYS A 93 2.879 5.742 -24.021 1.00 0.00 C ATOM 1136 NZ LYS A 93 2.452 6.261 -25.349 1.00 0.00 N ATOM 0 H LYS A 93 2.996 7.065 -19.325 1.00 0.00 H new ATOM 0 HA LYS A 93 0.928 5.255 -18.408 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.339 5.125 -20.670 1.00 0.00 H new ATOM 0 HB3 LYS A 93 0.984 6.749 -20.535 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.248 5.741 -21.326 1.00 0.00 H new ATOM 0 HG3 LYS A 93 2.333 4.309 -21.754 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.861 5.682 -23.241 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.750 7.126 -22.798 1.00 0.00 H new ATOM 0 HE2 LYS A 93 3.836 6.187 -23.747 1.00 0.00 H new ATOM 0 HE3 LYS A 93 3.034 4.665 -24.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 3.178 6.036 -26.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 1.551 5.818 -25.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 2.328 7.292 -25.295 1.00 0.00 H new ATOM 1150 N ASP A 94 3.802 4.012 -18.743 1.00 0.00 N ATOM 1151 CA ASP A 94 4.674 2.837 -18.642 1.00 0.00 C ATOM 1152 C ASP A 94 5.360 2.816 -17.255 1.00 0.00 C ATOM 1153 O ASP A 94 6.517 3.226 -17.119 1.00 0.00 O ATOM 1154 CB ASP A 94 5.644 2.842 -19.838 1.00 0.00 C ATOM 1155 CG ASP A 94 6.378 1.502 -20.040 1.00 0.00 C ATOM 1156 OD1 ASP A 94 6.056 0.498 -19.359 1.00 0.00 O ATOM 1157 OD2 ASP A 94 7.252 1.438 -20.938 1.00 0.00 O ATOM 0 H ASP A 94 4.308 4.882 -18.577 1.00 0.00 H new ATOM 0 HA ASP A 94 4.110 1.906 -18.702 1.00 0.00 H new ATOM 0 HB2 ASP A 94 5.089 3.083 -20.745 1.00 0.00 H new ATOM 0 HB3 ASP A 94 6.381 3.633 -19.695 1.00 0.00 H new ATOM 1162 N PRO A 95 4.637 2.407 -16.189 1.00 0.00 N ATOM 1163 CA PRO A 95 5.090 2.553 -14.804 1.00 0.00 C ATOM 1164 C PRO A 95 6.281 1.667 -14.418 1.00 0.00 C ATOM 1165 O PRO A 95 7.055 2.067 -13.552 1.00 0.00 O ATOM 1166 CB PRO A 95 3.858 2.257 -13.939 1.00 0.00 C ATOM 1167 CG PRO A 95 3.015 1.335 -14.818 1.00 0.00 C ATOM 1168 CD PRO A 95 3.274 1.893 -16.215 1.00 0.00 C ATOM 0 HA PRO A 95 5.479 3.560 -14.653 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.133 1.775 -13.001 1.00 0.00 H new ATOM 0 HB3 PRO A 95 3.319 3.169 -13.683 1.00 0.00 H new ATOM 0 HG2 PRO A 95 3.326 0.294 -14.732 1.00 0.00 H new ATOM 0 HG3 PRO A 95 1.958 1.375 -14.553 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.163 1.118 -16.973 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.563 2.682 -16.459 1.00 0.00 H new ATOM 1176 N SER A 96 6.480 0.500 -15.040 1.00 0.00 N ATOM 1177 CA SER A 96 7.571 -0.429 -14.685 1.00 0.00 C ATOM 1178 C SER A 96 8.985 0.168 -14.818 1.00 0.00 C ATOM 1179 O SER A 96 9.708 0.177 -13.817 1.00 0.00 O ATOM 1180 CB SER A 96 7.461 -1.736 -15.477 1.00 0.00 C ATOM 1181 OG SER A 96 6.309 -2.450 -15.054 1.00 0.00 O ATOM 0 H SER A 96 5.892 0.168 -15.805 1.00 0.00 H new ATOM 0 HA SER A 96 7.436 -0.635 -13.623 1.00 0.00 H new ATOM 0 HB2 SER A 96 7.398 -1.523 -16.544 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.354 -2.342 -15.325 1.00 0.00 H new ATOM 0 HG SER A 96 6.548 -3.385 -14.884 1.00 0.00 H new ATOM 1187 N PRO A 97 9.406 0.716 -15.981 1.00 0.00 N ATOM 1188 CA PRO A 97 10.717 1.358 -16.110 1.00 0.00 C ATOM 1189 C PRO A 97 10.845 2.635 -15.262 1.00 0.00 C ATOM 1190 O PRO A 97 11.933 2.945 -14.775 1.00 0.00 O ATOM 1191 CB PRO A 97 10.887 1.654 -17.606 1.00 0.00 C ATOM 1192 CG PRO A 97 9.452 1.744 -18.124 1.00 0.00 C ATOM 1193 CD PRO A 97 8.738 0.699 -17.275 1.00 0.00 C ATOM 0 HA PRO A 97 11.502 0.702 -15.734 1.00 0.00 H new ATOM 0 HB2 PRO A 97 11.431 2.584 -17.771 1.00 0.00 H new ATOM 0 HB3 PRO A 97 11.445 0.865 -18.109 1.00 0.00 H new ATOM 0 HG2 PRO A 97 9.030 2.739 -17.984 1.00 0.00 H new ATOM 0 HG3 PRO A 97 9.388 1.517 -19.188 1.00 0.00 H new ATOM 0 HD2 PRO A 97 7.679 0.936 -17.172 1.00 0.00 H new ATOM 0 HD3 PRO A 97 8.800 -0.287 -17.735 1.00 0.00 H new ATOM 1201 N LEU A 98 9.741 3.355 -15.022 1.00 0.00 N ATOM 1202 CA LEU A 98 9.705 4.520 -14.148 1.00 0.00 C ATOM 1203 C LEU A 98 9.970 4.114 -12.687 1.00 0.00 C ATOM 1204 O LEU A 98 10.846 4.697 -12.049 1.00 0.00 O ATOM 1205 CB LEU A 98 8.368 5.234 -14.416 1.00 0.00 C ATOM 1206 CG LEU A 98 8.001 6.344 -13.428 1.00 0.00 C ATOM 1207 CD1 LEU A 98 9.067 7.433 -13.310 1.00 0.00 C ATOM 1208 CD2 LEU A 98 6.694 7.000 -13.873 1.00 0.00 C ATOM 0 H LEU A 98 8.837 3.135 -15.440 1.00 0.00 H new ATOM 0 HA LEU A 98 10.503 5.232 -14.356 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.399 5.660 -15.419 1.00 0.00 H new ATOM 0 HB3 LEU A 98 7.572 4.490 -14.411 1.00 0.00 H new ATOM 0 HG LEU A 98 7.908 5.870 -12.451 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.740 8.186 -12.593 1.00 0.00 H new ATOM 0 HD12 LEU A 98 10.003 6.990 -12.970 1.00 0.00 H new ATOM 0 HD13 LEU A 98 9.219 7.900 -14.283 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.427 7.792 -13.173 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.820 7.424 -14.869 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.901 6.253 -13.895 1.00 0.00 H new ATOM 1220 N TYR A 99 9.322 3.059 -12.184 1.00 0.00 N ATOM 1221 CA TYR A 99 9.619 2.489 -10.867 1.00 0.00 C ATOM 1222 C TYR A 99 11.055 1.956 -10.764 1.00 0.00 C ATOM 1223 O TYR A 99 11.692 2.181 -9.740 1.00 0.00 O ATOM 1224 CB TYR A 99 8.595 1.407 -10.486 1.00 0.00 C ATOM 1225 CG TYR A 99 7.509 1.930 -9.565 1.00 0.00 C ATOM 1226 CD1 TYR A 99 7.734 1.964 -8.173 1.00 0.00 C ATOM 1227 CD2 TYR A 99 6.299 2.422 -10.093 1.00 0.00 C ATOM 1228 CE1 TYR A 99 6.750 2.485 -7.311 1.00 0.00 C ATOM 1229 CE2 TYR A 99 5.311 2.941 -9.234 1.00 0.00 C ATOM 1230 CZ TYR A 99 5.534 2.973 -7.838 1.00 0.00 C ATOM 1231 OH TYR A 99 4.587 3.472 -6.994 1.00 0.00 O ATOM 0 H TYR A 99 8.574 2.575 -12.681 1.00 0.00 H new ATOM 0 HA TYR A 99 9.537 3.304 -10.148 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.138 1.010 -11.392 1.00 0.00 H new ATOM 0 HB3 TYR A 99 9.111 0.579 -10.000 1.00 0.00 H new ATOM 0 HD1 TYR A 99 8.662 1.590 -7.768 1.00 0.00 H new ATOM 0 HD2 TYR A 99 6.129 2.401 -11.159 1.00 0.00 H new ATOM 0 HE1 TYR A 99 6.925 2.511 -6.246 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.383 3.315 -9.641 1.00 0.00 H new ATOM 0 HH TYR A 99 3.810 3.768 -7.513 1.00 0.00 H new ATOM 1241 N ASP A 100 11.602 1.316 -11.803 1.00 0.00 N ATOM 1242 CA ASP A 100 12.990 0.823 -11.805 1.00 0.00 C ATOM 1243 C ASP A 100 14.018 1.949 -11.593 1.00 0.00 C ATOM 1244 O ASP A 100 14.881 1.858 -10.719 1.00 0.00 O ATOM 1245 CB ASP A 100 13.269 0.102 -13.128 1.00 0.00 C ATOM 1246 CG ASP A 100 14.667 -0.534 -13.133 1.00 0.00 C ATOM 1247 OD1 ASP A 100 14.845 -1.621 -12.535 1.00 0.00 O ATOM 1248 OD2 ASP A 100 15.601 0.056 -13.726 1.00 0.00 O ATOM 0 H ASP A 100 11.097 1.123 -12.668 1.00 0.00 H new ATOM 0 HA ASP A 100 13.097 0.134 -10.967 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.516 -0.669 -13.290 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.185 0.808 -13.954 1.00 0.00 H new ATOM 1253 N MET A 101 13.884 3.042 -12.352 1.00 0.00 N ATOM 1254 CA MET A 101 14.700 4.255 -12.186 1.00 0.00 C ATOM 1255 C MET A 101 14.506 4.914 -10.814 1.00 0.00 C ATOM 1256 O MET A 101 15.475 5.259 -10.142 1.00 0.00 O ATOM 1257 CB MET A 101 14.293 5.296 -13.223 1.00 0.00 C ATOM 1258 CG MET A 101 14.683 5.013 -14.672 1.00 0.00 C ATOM 1259 SD MET A 101 14.395 6.457 -15.737 1.00 0.00 S ATOM 1260 CE MET A 101 12.698 6.908 -15.254 1.00 0.00 C ATOM 0 H MET A 101 13.201 3.113 -13.106 1.00 0.00 H new ATOM 0 HA MET A 101 15.738 3.940 -12.297 1.00 0.00 H new ATOM 0 HB2 MET A 101 13.210 5.414 -13.179 1.00 0.00 H new ATOM 0 HB3 MET A 101 14.730 6.252 -12.934 1.00 0.00 H new ATOM 0 HG2 MET A 101 15.735 4.731 -14.718 1.00 0.00 H new ATOM 0 HG3 MET A 101 14.109 4.165 -15.045 1.00 0.00 H new ATOM 0 HE1 MET A 101 12.325 7.687 -15.919 1.00 0.00 H new ATOM 0 HE2 MET A 101 12.054 6.031 -15.326 1.00 0.00 H new ATOM 0 HE3 MET A 101 12.697 7.276 -14.228 1.00 0.00 H new ATOM 1270 N LEU A 102 13.254 5.099 -10.387 1.00 0.00 N ATOM 1271 CA LEU A 102 12.902 5.661 -9.083 1.00 0.00 C ATOM 1272 C LEU A 102 13.532 4.849 -7.948 1.00 0.00 C ATOM 1273 O LEU A 102 14.193 5.447 -7.111 1.00 0.00 O ATOM 1274 CB LEU A 102 11.371 5.764 -8.943 1.00 0.00 C ATOM 1275 CG LEU A 102 10.726 6.911 -9.752 1.00 0.00 C ATOM 1276 CD1 LEU A 102 9.206 6.759 -9.713 1.00 0.00 C ATOM 1277 CD2 LEU A 102 11.078 8.274 -9.155 1.00 0.00 C ATOM 0 H LEU A 102 12.440 4.856 -10.952 1.00 0.00 H new ATOM 0 HA LEU A 102 13.309 6.670 -9.012 1.00 0.00 H new ATOM 0 HB2 LEU A 102 10.926 4.820 -9.258 1.00 0.00 H new ATOM 0 HB3 LEU A 102 11.124 5.897 -7.890 1.00 0.00 H new ATOM 0 HG LEU A 102 11.103 6.857 -10.773 1.00 0.00 H new ATOM 0 HD11 LEU A 102 8.745 7.566 -10.282 1.00 0.00 H new ATOM 0 HD12 LEU A 102 8.925 5.800 -10.149 1.00 0.00 H new ATOM 0 HD13 LEU A 102 8.862 6.802 -8.679 1.00 0.00 H new ATOM 0 HD21 LEU A 102 10.610 9.062 -9.745 1.00 0.00 H new ATOM 0 HD22 LEU A 102 10.716 8.326 -8.128 1.00 0.00 H new ATOM 0 HD23 LEU A 102 12.160 8.407 -9.165 1.00 0.00 H new ATOM 1289 N ARG A 103 13.479 3.512 -7.971 1.00 0.00 N ATOM 1290 CA ARG A 103 14.133 2.626 -6.995 1.00 0.00 C ATOM 1291 C ARG A 103 15.666 2.771 -6.937 1.00 0.00 C ATOM 1292 O ARG A 103 16.287 2.437 -5.928 1.00 0.00 O ATOM 1293 CB ARG A 103 13.720 1.176 -7.308 1.00 0.00 C ATOM 1294 CG ARG A 103 13.650 0.377 -6.012 1.00 0.00 C ATOM 1295 CD ARG A 103 13.480 -1.123 -6.249 1.00 0.00 C ATOM 1296 NE ARG A 103 13.290 -1.812 -4.958 1.00 0.00 N ATOM 1297 CZ ARG A 103 13.522 -3.078 -4.665 1.00 0.00 C ATOM 1298 NH1 ARG A 103 13.944 -3.935 -5.551 1.00 0.00 N ATOM 1299 NH2 ARG A 103 13.321 -3.509 -3.453 1.00 0.00 N ATOM 0 H ARG A 103 12.966 3.000 -8.689 1.00 0.00 H new ATOM 0 HA ARG A 103 13.795 2.920 -6.001 1.00 0.00 H new ATOM 0 HB2 ARG A 103 12.752 1.162 -7.809 1.00 0.00 H new ATOM 0 HB3 ARG A 103 14.438 0.721 -7.990 1.00 0.00 H new ATOM 0 HG2 ARG A 103 14.559 0.548 -5.436 1.00 0.00 H new ATOM 0 HG3 ARG A 103 12.818 0.742 -5.410 1.00 0.00 H new ATOM 0 HD2 ARG A 103 12.623 -1.304 -6.898 1.00 0.00 H new ATOM 0 HD3 ARG A 103 14.356 -1.522 -6.760 1.00 0.00 H new ATOM 0 HE ARG A 103 12.934 -1.237 -4.195 1.00 0.00 H new ATOM 0 HH11 ARG A 103 14.107 -3.636 -6.512 1.00 0.00 H new ATOM 0 HH12 ARG A 103 14.111 -4.905 -5.283 1.00 0.00 H new ATOM 0 HH21 ARG A 103 12.985 -2.869 -2.733 1.00 0.00 H new ATOM 0 HH22 ARG A 103 13.499 -4.487 -3.223 1.00 0.00 H new ATOM 1313 N LYS A 104 16.277 3.296 -8.006 1.00 0.00 N ATOM 1314 CA LYS A 104 17.707 3.655 -8.086 1.00 0.00 C ATOM 1315 C LYS A 104 18.004 5.075 -7.580 1.00 0.00 C ATOM 1316 O LYS A 104 19.153 5.357 -7.240 1.00 0.00 O ATOM 1317 CB LYS A 104 18.212 3.406 -9.523 1.00 0.00 C ATOM 1318 CG LYS A 104 18.230 1.895 -9.823 1.00 0.00 C ATOM 1319 CD LYS A 104 18.356 1.574 -11.316 1.00 0.00 C ATOM 1320 CE LYS A 104 18.327 0.047 -11.483 1.00 0.00 C ATOM 1321 NZ LYS A 104 18.226 -0.359 -12.909 1.00 0.00 N ATOM 0 H LYS A 104 15.775 3.491 -8.872 1.00 0.00 H new ATOM 0 HA LYS A 104 18.263 3.010 -7.406 1.00 0.00 H new ATOM 0 HB2 LYS A 104 17.568 3.919 -10.237 1.00 0.00 H new ATOM 0 HB3 LYS A 104 19.213 3.820 -9.642 1.00 0.00 H new ATOM 0 HG2 LYS A 104 19.061 1.436 -9.288 1.00 0.00 H new ATOM 0 HG3 LYS A 104 17.315 1.444 -9.438 1.00 0.00 H new ATOM 0 HD2 LYS A 104 17.540 2.033 -11.874 1.00 0.00 H new ATOM 0 HD3 LYS A 104 19.284 1.983 -11.716 1.00 0.00 H new ATOM 0 HE2 LYS A 104 19.230 -0.382 -11.048 1.00 0.00 H new ATOM 0 HE3 LYS A 104 17.481 -0.361 -10.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 18.591 -1.326 -13.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 17.231 -0.328 -13.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 18.785 0.292 -13.496 1.00 0.00 H new ATOM 1335 N ASN A 105 16.991 5.946 -7.469 1.00 0.00 N ATOM 1336 CA ASN A 105 17.135 7.313 -6.927 1.00 0.00 C ATOM 1337 C ASN A 105 16.571 7.480 -5.488 1.00 0.00 C ATOM 1338 O ASN A 105 17.014 8.335 -4.724 1.00 0.00 O ATOM 1339 CB ASN A 105 16.462 8.251 -7.950 1.00 0.00 C ATOM 1340 CG ASN A 105 16.897 9.702 -7.841 1.00 0.00 C ATOM 1341 OD1 ASN A 105 17.968 10.039 -7.368 1.00 0.00 O ATOM 1342 ND2 ASN A 105 16.081 10.615 -8.313 1.00 0.00 N ATOM 0 H ASN A 105 16.037 5.723 -7.755 1.00 0.00 H new ATOM 0 HA ASN A 105 18.190 7.560 -6.804 1.00 0.00 H new ATOM 0 HB2 ASN A 105 16.681 7.892 -8.955 1.00 0.00 H new ATOM 0 HB3 ASN A 105 15.381 8.196 -7.821 1.00 0.00 H new ATOM 0 HD21 ASN A 105 16.345 11.600 -8.282 1.00 0.00 H new ATOM 0 HD22 ASN A 105 15.183 10.340 -8.710 1.00 0.00 H new ATOM 1349 N LEU A 106 15.613 6.637 -5.102 1.00 0.00 N ATOM 1350 CA LEU A 106 14.915 6.569 -3.815 1.00 0.00 C ATOM 1351 C LEU A 106 14.926 5.113 -3.330 1.00 0.00 C ATOM 1352 O LEU A 106 14.562 4.212 -4.082 1.00 0.00 O ATOM 1353 CB LEU A 106 13.463 7.059 -4.035 1.00 0.00 C ATOM 1354 CG LEU A 106 12.509 6.945 -2.829 1.00 0.00 C ATOM 1355 CD1 LEU A 106 12.916 7.853 -1.669 1.00 0.00 C ATOM 1356 CD2 LEU A 106 11.091 7.323 -3.256 1.00 0.00 C ATOM 0 H LEU A 106 15.274 5.917 -5.740 1.00 0.00 H new ATOM 0 HA LEU A 106 15.399 7.193 -3.064 1.00 0.00 H new ATOM 0 HB2 LEU A 106 13.498 8.104 -4.345 1.00 0.00 H new ATOM 0 HB3 LEU A 106 13.034 6.495 -4.864 1.00 0.00 H new ATOM 0 HG LEU A 106 12.557 5.911 -2.487 1.00 0.00 H new ATOM 0 HD11 LEU A 106 12.210 7.732 -0.847 1.00 0.00 H new ATOM 0 HD12 LEU A 106 13.916 7.584 -1.330 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.912 8.891 -2.001 1.00 0.00 H new ATOM 0 HD21 LEU A 106 10.420 7.241 -2.401 1.00 0.00 H new ATOM 0 HD22 LEU A 106 11.084 8.348 -3.626 1.00 0.00 H new ATOM 0 HD23 LEU A 106 10.757 6.650 -4.045 1.00 0.00 H new ATOM 1368 N VAL A 107 15.267 4.871 -2.063 1.00 0.00 N ATOM 1369 CA VAL A 107 15.131 3.528 -1.461 1.00 0.00 C ATOM 1370 C VAL A 107 13.640 3.255 -1.225 1.00 0.00 C ATOM 1371 O VAL A 107 13.034 3.881 -0.358 1.00 0.00 O ATOM 1372 CB VAL A 107 15.954 3.406 -0.164 1.00 0.00 C ATOM 1373 CG1 VAL A 107 15.815 2.012 0.464 1.00 0.00 C ATOM 1374 CG2 VAL A 107 17.447 3.651 -0.425 1.00 0.00 C ATOM 0 H VAL A 107 15.639 5.579 -1.430 1.00 0.00 H new ATOM 0 HA VAL A 107 15.531 2.775 -2.141 1.00 0.00 H new ATOM 0 HB VAL A 107 15.561 4.162 0.516 1.00 0.00 H new ATOM 0 HG11 VAL A 107 16.409 1.963 1.377 1.00 0.00 H new ATOM 0 HG12 VAL A 107 14.768 1.823 0.702 1.00 0.00 H new ATOM 0 HG13 VAL A 107 16.169 1.259 -0.240 1.00 0.00 H new ATOM 0 HG21 VAL A 107 18.000 3.558 0.510 1.00 0.00 H new ATOM 0 HG22 VAL A 107 17.817 2.916 -1.140 1.00 0.00 H new ATOM 0 HG23 VAL A 107 17.586 4.653 -0.830 1.00 0.00 H new ATOM 1384 N THR A 108 13.031 2.381 -2.032 1.00 0.00 N ATOM 1385 CA THR A 108 11.582 2.079 -2.019 1.00 0.00 C ATOM 1386 C THR A 108 11.277 0.710 -2.661 1.00 0.00 C ATOM 1387 O THR A 108 12.187 -0.064 -2.971 1.00 0.00 O ATOM 1388 CB THR A 108 10.798 3.241 -2.673 1.00 0.00 C ATOM 1389 OG1 THR A 108 9.414 3.109 -2.413 1.00 0.00 O ATOM 1390 CG2 THR A 108 10.982 3.373 -4.185 1.00 0.00 C ATOM 0 H THR A 108 13.540 1.845 -2.735 1.00 0.00 H new ATOM 0 HA THR A 108 11.247 1.996 -0.985 1.00 0.00 H new ATOM 0 HB THR A 108 11.215 4.140 -2.220 1.00 0.00 H new ATOM 0 HG1 THR A 108 8.930 3.852 -2.831 1.00 0.00 H new ATOM 0 HG21 THR A 108 10.394 4.214 -4.551 1.00 0.00 H new ATOM 0 HG22 THR A 108 12.035 3.541 -4.410 1.00 0.00 H new ATOM 0 HG23 THR A 108 10.648 2.457 -4.673 1.00 0.00 H new ATOM 1398 N LEU A 109 9.994 0.393 -2.840 1.00 0.00 N ATOM 1399 CA LEU A 109 9.469 -0.814 -3.487 1.00 0.00 C ATOM 1400 C LEU A 109 9.617 -0.830 -5.022 1.00 0.00 C ATOM 1401 O LEU A 109 10.101 0.117 -5.642 1.00 0.00 O ATOM 1402 CB LEU A 109 8.023 -1.040 -3.031 1.00 0.00 C ATOM 1403 CG LEU A 109 7.047 0.107 -3.375 1.00 0.00 C ATOM 1404 CD1 LEU A 109 6.241 -0.162 -4.646 1.00 0.00 C ATOM 1405 CD2 LEU A 109 6.088 0.264 -2.204 1.00 0.00 C ATOM 0 H LEU A 109 9.247 1.008 -2.518 1.00 0.00 H new ATOM 0 HA LEU A 109 10.086 -1.652 -3.163 1.00 0.00 H new ATOM 0 HB2 LEU A 109 7.654 -1.960 -3.484 1.00 0.00 H new ATOM 0 HB3 LEU A 109 8.017 -1.192 -1.952 1.00 0.00 H new ATOM 0 HG LEU A 109 7.630 1.011 -3.553 1.00 0.00 H new ATOM 0 HD11 LEU A 109 5.573 0.678 -4.838 1.00 0.00 H new ATOM 0 HD12 LEU A 109 6.921 -0.284 -5.489 1.00 0.00 H new ATOM 0 HD13 LEU A 109 5.654 -1.071 -4.519 1.00 0.00 H new ATOM 0 HD21 LEU A 109 5.384 1.068 -2.416 1.00 0.00 H new ATOM 0 HD22 LEU A 109 5.541 -0.667 -2.054 1.00 0.00 H new ATOM 0 HD23 LEU A 109 6.651 0.503 -1.302 1.00 0.00 H new ATOM 1417 N ALA A 110 9.185 -1.937 -5.623 1.00 0.00 N ATOM 1418 CA ALA A 110 9.349 -2.272 -7.035 1.00 0.00 C ATOM 1419 C ALA A 110 8.007 -2.567 -7.743 1.00 0.00 C ATOM 1420 O ALA A 110 6.972 -2.761 -7.097 1.00 0.00 O ATOM 1421 CB ALA A 110 10.291 -3.477 -7.054 1.00 0.00 C ATOM 0 H ALA A 110 8.684 -2.663 -5.110 1.00 0.00 H new ATOM 0 HA ALA A 110 9.759 -1.430 -7.593 1.00 0.00 H new ATOM 0 HB1 ALA A 110 10.463 -3.788 -8.084 1.00 0.00 H new ATOM 0 HB2 ALA A 110 11.241 -3.204 -6.594 1.00 0.00 H new ATOM 0 HB3 ALA A 110 9.842 -4.299 -6.497 1.00 0.00 H new ATOM 1427 N THR A 111 8.030 -2.632 -9.080 1.00 0.00 N ATOM 1428 CA THR A 111 6.860 -2.999 -9.908 1.00 0.00 C ATOM 1429 C THR A 111 6.411 -4.454 -9.713 1.00 0.00 C ATOM 1430 O THR A 111 7.208 -5.348 -9.388 1.00 0.00 O ATOM 1431 CB THR A 111 7.097 -2.698 -11.399 1.00 0.00 C ATOM 1432 OG1 THR A 111 5.926 -3.015 -12.122 1.00 0.00 O ATOM 1433 CG2 THR A 111 8.265 -3.474 -12.019 1.00 0.00 C ATOM 0 H THR A 111 8.866 -2.431 -9.629 1.00 0.00 H new ATOM 0 HA THR A 111 6.044 -2.368 -9.555 1.00 0.00 H new ATOM 0 HB THR A 111 7.350 -1.639 -11.459 1.00 0.00 H new ATOM 0 HG1 THR A 111 6.072 -2.839 -13.075 1.00 0.00 H new ATOM 0 HG21 THR A 111 8.364 -3.204 -13.070 1.00 0.00 H new ATOM 0 HG22 THR A 111 9.187 -3.226 -11.493 1.00 0.00 H new ATOM 0 HG23 THR A 111 8.076 -4.544 -11.935 1.00 0.00 H new TER 1441 THR A 111 HETATM 1442 N 44Z A 200 1.650 10.967 -12.785 1.00 0.00 N HETATM 1443 C1 44Z A 200 -0.402 17.228 -12.247 1.00 0.00 C HETATM 1444 O1 44Z A 200 -0.519 18.421 -12.460 1.00 0.00 O HETATM 1445 N1 44Z A 200 -1.515 16.513 -12.028 1.00 0.00 N HETATM 1446 C2 44Z A 200 -1.519 15.066 -11.789 1.00 0.00 C HETATM 1447 C3 44Z A 200 -0.331 14.363 -12.472 1.00 0.00 C HETATM 1448 N2 44Z A 200 0.968 15.013 -12.180 1.00 0.00 N HETATM 1449 C4 44Z A 200 0.947 16.509 -12.208 1.00 0.00 C HETATM 1450 C5 44Z A 200 2.129 14.365 -11.879 1.00 0.00 C HETATM 1451 O5 44Z A 200 2.993 14.953 -11.255 1.00 0.00 O HETATM 1452 N3 44Z A 200 2.295 13.063 -12.212 1.00 0.00 N HETATM 1453 C6 44Z A 200 1.706 12.192 -13.158 1.00 0.00 C HETATM 1454 C7 44Z A 200 2.311 10.767 -11.462 1.00 0.00 C HETATM 1455 C8 44Z A 200 2.944 12.178 -11.245 1.00 0.00 C HETATM 1456 CG1 44Z A 200 4.462 12.233 -11.255 1.00 0.00 C HETATM 1457 CD1 44Z A 200 5.252 11.693 -12.276 1.00 0.00 C HETATM 1458 CE1 44Z A 200 6.627 11.551 -12.073 1.00 0.00 C HETATM 1459 CZ1 44Z A 200 7.199 11.925 -10.856 1.00 0.00 C HETATM 1460 CL 44Z A 200 8.882 11.656 -10.564 1.00 0.00 CL HETATM 1461 CE2 44Z A 200 6.407 12.512 -9.872 1.00 0.00 C HETATM 1462 CD2 44Z A 200 5.069 12.738 -10.110 1.00 0.00 C HETATM 1463 CG2 44Z A 200 3.187 9.486 -11.340 1.00 0.00 C HETATM 1464 CD3 44Z A 200 2.978 8.441 -12.253 1.00 0.00 C HETATM 1465 CE3 44Z A 200 3.660 7.230 -12.148 1.00 0.00 C HETATM 1466 CZ2 44Z A 200 4.580 7.039 -11.123 1.00 0.00 C HETATM 1467 CE4 44Z A 200 4.818 8.054 -10.211 1.00 0.00 C HETATM 1468 O4 44Z A 200 5.772 7.796 -9.246 1.00 0.00 O HETATM 1469 CD4 44Z A 200 4.107 9.258 -10.292 1.00 0.00 C HETATM 1470 CG3 44Z A 200 1.242 12.612 -14.516 1.00 0.00 C HETATM 1471 CD5 44Z A 200 0.318 11.786 -15.166 1.00 0.00 C HETATM 1472 CE5 44Z A 200 -0.147 12.090 -16.441 1.00 0.00 C HETATM 1473 CZ3 44Z A 200 0.308 13.228 -17.105 1.00 0.00 C HETATM 1474 CE6 44Z A 200 1.225 14.058 -16.476 1.00 0.00 C HETATM 1475 CD6 44Z A 200 1.694 13.758 -15.198 1.00 0.00 C HETATM 1476 O6 44Z A 200 2.601 14.621 -14.634 1.00 0.00 O HETATM 1477 C9 44Z A 200 3.816 15.022 -15.297 1.00 0.00 C HETATM 1478 CM2 44Z A 200 3.931 16.548 -15.151 1.00 0.00 C HETATM 1479 CM3 44Z A 200 4.978 14.297 -14.603 1.00 0.00 C HETATM 1480 O3 44Z A 200 -0.096 13.560 -18.383 1.00 0.00 O HETATM 1481 CM1 44Z A 200 -0.985 12.723 -19.158 1.00 0.00 C HETATM 1482 CM4 44Z A 200 6.293 8.803 -8.356 1.00 0.00 C