USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 859 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 50 CYS SG : rot 103:sc= -0.543! USER MOD Set 1.2: A 127 THR OG1 : rot 161:sc= -3.6! USER MOD Set 2.1: A 99 THR OG1 : rot -42:sc= -3.33! USER MOD Set 2.2: A 100 THR OG1 : rot 104:sc= 1.11 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=-0.0083) USER MOD Single : A 33 HIS : no HD1:sc= -1.37 X(o=-1.4,f=-1.1) USER MOD Single : A 35 TYR OH : rot 180:sc= -0.391 USER MOD Single : A 40 THR OG1 : rot -93:sc= -0.898! USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -5.61! C(o=-5.6!,f=-8.3!) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=-0.0034) USER MOD Single : A 54 ASN :FLIP amide:sc= -8.46! C(o=-16!,f=-8.5!) USER MOD Single : A 57 TYR OH : rot -65:sc= -1.35! USER MOD Single : A 58 MET CE :methyl -163:sc= -4.55! (180deg=-4.99!) USER MOD Single : A 59 ASN :FLIP amide:sc= -0.731 F(o=-1.3,f=-0.73) USER MOD Single : A 63 SER OG : rot 4:sc= 0.947 USER MOD Single : A 65 MET CE :methyl -154:sc= -0.278 (180deg=-1.46!) USER MOD Single : A 66 SER OG : rot 12:sc= 1.11 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.799 K(o=-0.8,f=-2.1) USER MOD Single : A 69 THR OG1 : rot -71:sc= 1.1 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HE2:sc= -3.57! C(o=-3.6!,f=-4.7!) USER MOD Single : A 81 GLN :FLIP amide:sc= -2.68! C(o=-4.3!,f=-2.7!) USER MOD Single : A 82 SER OG : rot -130:sc= -0.948 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 CYS SG : rot 150:sc= -1.18 USER MOD Single : A 90 GLN : amide:sc= -0.762 K(o=-0.76,f=-2.3!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot -145:sc= 0.253 USER MOD Single : A 97 LYS NZ :NH3+ -118:sc= -0.0689 (180deg=-1.1) USER MOD Single : A 104 HIS :FLIP no HD1:sc= -2.68! C(o=-3.2!,f=-2.7!) USER MOD Single : A 108 THR OG1 : rot 18:sc= -7.24! USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 162:sc= -5.39! (180deg=-6.74!) USER MOD Single : A 123 ASN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 128 LYS NZ :NH3+ 153:sc= -3.73! (180deg=-5.24!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 11 -7.882 13.956 15.013 1.00 0.00 N ATOM 2 CA ALA A 11 -8.882 13.190 14.231 1.00 0.00 C ATOM 3 C ALA A 11 -9.476 14.088 13.164 1.00 0.00 C ATOM 4 O ALA A 11 -10.608 14.500 13.229 1.00 0.00 O ATOM 5 CB ALA A 11 -10.017 12.684 15.221 1.00 0.00 C ATOM 0 HA ALA A 11 -8.414 12.333 13.747 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.762 12.118 14.662 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.575 12.045 15.986 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -10.494 13.541 15.696 1.00 0.00 H new ATOM 11 N GLU A 12 -8.709 14.368 12.174 1.00 0.00 N ATOM 12 CA GLU A 12 -9.193 15.222 11.064 1.00 0.00 C ATOM 13 C GLU A 12 -8.663 14.678 9.747 1.00 0.00 C ATOM 14 O GLU A 12 -7.865 15.288 9.078 1.00 0.00 O ATOM 15 CB GLU A 12 -8.737 16.670 11.265 1.00 0.00 C ATOM 16 CG GLU A 12 -9.204 17.206 12.620 1.00 0.00 C ATOM 17 CD GLU A 12 -10.737 17.185 12.675 1.00 0.00 C ATOM 18 OE1 GLU A 12 -11.350 17.187 11.625 1.00 0.00 O ATOM 19 OE2 GLU A 12 -11.273 17.167 13.765 1.00 0.00 O ATOM 0 H GLU A 12 -7.748 14.040 12.076 1.00 0.00 H new ATOM 0 HA GLU A 12 -10.283 15.209 11.048 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -7.650 16.725 11.202 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -9.135 17.295 10.465 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -8.792 16.598 13.426 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -8.838 18.222 12.768 1.00 0.00 H new ATOM 26 N GLU A 13 -9.090 13.517 9.383 1.00 0.00 N ATOM 27 CA GLU A 13 -8.611 12.907 8.110 1.00 0.00 C ATOM 28 C GLU A 13 -9.760 12.167 7.430 1.00 0.00 C ATOM 29 O GLU A 13 -10.586 11.546 8.055 1.00 0.00 O ATOM 30 CB GLU A 13 -7.474 11.917 8.412 1.00 0.00 C ATOM 31 CG GLU A 13 -8.024 10.715 9.188 1.00 0.00 C ATOM 32 CD GLU A 13 -6.869 9.851 9.709 1.00 0.00 C ATOM 33 OE1 GLU A 13 -5.739 10.147 9.377 1.00 0.00 O ATOM 34 OE2 GLU A 13 -7.136 8.903 10.420 1.00 0.00 O ATOM 0 H GLU A 13 -9.756 12.952 9.910 1.00 0.00 H new ATOM 0 HA GLU A 13 -8.246 13.693 7.449 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -7.015 11.582 7.482 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -6.695 12.410 8.993 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -8.636 11.060 10.022 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.671 10.121 8.543 1.00 0.00 H new ATOM 41 N SER A 14 -9.805 12.236 6.147 1.00 0.00 N ATOM 42 CA SER A 14 -10.882 11.550 5.368 1.00 0.00 C ATOM 43 C SER A 14 -10.447 10.101 5.155 1.00 0.00 C ATOM 44 O SER A 14 -9.298 9.754 5.281 1.00 0.00 O ATOM 45 CB SER A 14 -11.102 12.254 4.028 1.00 0.00 C ATOM 46 OG SER A 14 -9.995 11.982 3.179 1.00 0.00 O ATOM 0 H SER A 14 -9.131 12.748 5.578 1.00 0.00 H new ATOM 0 HA SER A 14 -11.827 11.582 5.911 1.00 0.00 H new ATOM 0 HB2 SER A 14 -12.026 11.906 3.566 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.206 13.328 4.179 1.00 0.00 H new ATOM 0 HG SER A 14 -10.127 12.428 2.316 1.00 0.00 H new ATOM 52 N ARG A 15 -11.382 9.249 4.848 1.00 0.00 N ATOM 53 CA ARG A 15 -11.062 7.800 4.630 1.00 0.00 C ATOM 54 C ARG A 15 -12.047 7.200 3.640 1.00 0.00 C ATOM 55 O ARG A 15 -13.188 6.945 3.941 1.00 0.00 O ATOM 56 CB ARG A 15 -11.119 7.022 5.947 1.00 0.00 C ATOM 57 CG ARG A 15 -12.316 7.517 6.731 1.00 0.00 C ATOM 58 CD ARG A 15 -12.439 6.854 8.078 1.00 0.00 C ATOM 59 NE ARG A 15 -13.831 7.142 8.675 1.00 0.00 N ATOM 60 CZ ARG A 15 -14.305 8.310 8.306 1.00 0.00 C ATOM 61 NH1 ARG A 15 -13.596 9.167 8.791 1.00 0.00 N ATOM 62 NH2 ARG A 15 -15.467 8.231 8.763 1.00 0.00 N ATOM 0 H ARG A 15 -12.367 9.491 4.736 1.00 0.00 H new ATOM 0 HA ARG A 15 -10.050 7.729 4.231 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -11.205 5.953 5.755 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -10.202 7.170 6.517 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -12.236 8.596 6.867 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -13.224 7.334 6.156 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -12.291 5.779 7.979 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -11.662 7.223 8.748 1.00 0.00 H new ATOM 0 HE ARG A 15 -14.329 6.497 9.289 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -12.798 8.902 9.368 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -13.798 10.152 8.621 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -15.764 7.391 9.259 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -16.117 9.007 8.639 1.00 0.00 H new ATOM 76 N VAL A 16 -11.605 6.980 2.447 1.00 0.00 N ATOM 77 CA VAL A 16 -12.503 6.402 1.410 1.00 0.00 C ATOM 78 C VAL A 16 -11.691 5.481 0.510 1.00 0.00 C ATOM 79 O VAL A 16 -10.506 5.320 0.687 1.00 0.00 O ATOM 80 CB VAL A 16 -13.107 7.547 0.602 1.00 0.00 C ATOM 81 CG1 VAL A 16 -14.689 7.538 0.742 1.00 0.00 C ATOM 82 CG2 VAL A 16 -12.567 8.921 1.196 1.00 0.00 C ATOM 0 H VAL A 16 -10.653 7.175 2.135 1.00 0.00 H new ATOM 0 HA VAL A 16 -13.305 5.824 1.869 1.00 0.00 H new ATOM 0 HB VAL A 16 -12.831 7.433 -0.446 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -15.110 8.359 0.162 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -15.082 6.592 0.370 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -14.962 7.657 1.790 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -12.988 9.752 0.631 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -12.863 9.006 2.242 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -11.480 8.947 1.123 1.00 0.00 H new ATOM 92 N PRO A 17 -12.334 4.851 -0.423 1.00 0.00 N ATOM 93 CA PRO A 17 -11.651 3.934 -1.361 1.00 0.00 C ATOM 94 C PRO A 17 -11.094 4.682 -2.557 1.00 0.00 C ATOM 95 O PRO A 17 -11.676 5.608 -3.082 1.00 0.00 O ATOM 96 CB PRO A 17 -12.747 2.924 -1.746 1.00 0.00 C ATOM 97 CG PRO A 17 -14.064 3.566 -1.448 1.00 0.00 C ATOM 98 CD PRO A 17 -13.796 4.891 -0.718 1.00 0.00 C ATOM 0 HA PRO A 17 -10.782 3.441 -0.925 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -12.676 2.663 -2.802 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -12.633 1.999 -1.181 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -14.617 3.745 -2.370 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -14.677 2.909 -0.831 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -14.055 5.748 -1.339 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -14.386 4.970 0.195 1.00 0.00 H new ATOM 106 N SER A 18 -9.931 4.289 -2.980 1.00 0.00 N ATOM 107 CA SER A 18 -9.278 4.952 -4.144 1.00 0.00 C ATOM 108 C SER A 18 -8.510 3.922 -4.959 1.00 0.00 C ATOM 109 O SER A 18 -8.032 2.932 -4.455 1.00 0.00 O ATOM 110 CB SER A 18 -8.311 6.037 -3.656 1.00 0.00 C ATOM 111 OG SER A 18 -7.848 6.794 -4.760 1.00 0.00 O ATOM 0 H SER A 18 -9.395 3.527 -2.566 1.00 0.00 H new ATOM 0 HA SER A 18 -10.048 5.409 -4.766 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.812 6.689 -2.940 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.469 5.580 -3.137 1.00 0.00 H new ATOM 0 HG SER A 18 -7.232 7.488 -4.445 1.00 0.00 H new ATOM 117 N SER A 19 -8.402 4.148 -6.224 1.00 0.00 N ATOM 118 CA SER A 19 -7.672 3.193 -7.110 1.00 0.00 C ATOM 119 C SER A 19 -6.283 3.727 -7.401 1.00 0.00 C ATOM 120 O SER A 19 -6.064 4.898 -7.601 1.00 0.00 O ATOM 121 CB SER A 19 -8.444 3.030 -8.420 1.00 0.00 C ATOM 122 OG SER A 19 -8.426 4.247 -9.150 1.00 0.00 O ATOM 0 H SER A 19 -8.790 4.963 -6.699 1.00 0.00 H new ATOM 0 HA SER A 19 -7.587 2.227 -6.613 1.00 0.00 H new ATOM 0 HB2 SER A 19 -8.000 2.233 -9.016 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.473 2.737 -8.211 1.00 0.00 H new ATOM 0 HG SER A 19 -8.921 4.133 -9.988 1.00 0.00 H new ATOM 128 N VAL A 20 -5.329 2.865 -7.401 1.00 0.00 N ATOM 129 CA VAL A 20 -3.939 3.300 -7.645 1.00 0.00 C ATOM 130 C VAL A 20 -3.164 2.165 -8.313 1.00 0.00 C ATOM 131 O VAL A 20 -3.539 1.022 -8.256 1.00 0.00 O ATOM 132 CB VAL A 20 -3.317 3.695 -6.305 1.00 0.00 C ATOM 133 CG1 VAL A 20 -3.823 2.738 -5.135 1.00 0.00 C ATOM 134 CG2 VAL A 20 -1.741 3.551 -6.395 1.00 0.00 C ATOM 0 H VAL A 20 -5.449 1.865 -7.241 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.909 4.161 -8.313 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.609 4.723 -6.090 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.365 3.041 -4.193 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.907 2.809 -5.051 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.543 1.709 -5.360 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.295 3.832 -5.441 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.483 2.518 -6.626 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.360 4.204 -7.180 1.00 0.00 H new ATOM 144 N SER A 21 -2.093 2.474 -8.977 1.00 0.00 N ATOM 145 CA SER A 21 -1.299 1.401 -9.658 1.00 0.00 C ATOM 146 C SER A 21 0.088 1.335 -9.048 1.00 0.00 C ATOM 147 O SER A 21 0.554 2.256 -8.418 1.00 0.00 O ATOM 148 CB SER A 21 -1.186 1.717 -11.155 1.00 0.00 C ATOM 149 OG SER A 21 -2.246 1.072 -11.851 1.00 0.00 O ATOM 0 H SER A 21 -1.726 3.420 -9.083 1.00 0.00 H new ATOM 0 HA SER A 21 -1.800 0.442 -9.528 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.232 2.794 -11.316 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.224 1.378 -11.539 1.00 0.00 H new ATOM 0 HG SER A 21 -2.179 1.273 -12.808 1.00 0.00 H new ATOM 155 N VAL A 22 0.740 0.258 -9.225 1.00 0.00 N ATOM 156 CA VAL A 22 2.091 0.095 -8.648 1.00 0.00 C ATOM 157 C VAL A 22 2.925 1.321 -9.004 1.00 0.00 C ATOM 158 O VAL A 22 3.768 1.772 -8.250 1.00 0.00 O ATOM 159 CB VAL A 22 2.697 -1.183 -9.235 1.00 0.00 C ATOM 160 CG1 VAL A 22 3.103 -0.944 -10.758 1.00 0.00 C ATOM 161 CG2 VAL A 22 3.994 -1.577 -8.429 1.00 0.00 C ATOM 0 H VAL A 22 0.399 -0.544 -9.755 1.00 0.00 H new ATOM 0 HA VAL A 22 2.060 0.009 -7.562 1.00 0.00 H new ATOM 0 HB VAL A 22 1.957 -1.981 -9.169 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.533 -1.858 -11.168 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.218 -0.671 -11.332 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.836 -0.140 -10.817 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.422 -2.487 -8.850 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.723 -0.769 -8.495 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.735 -1.748 -7.384 1.00 0.00 H new ATOM 171 N THR A 23 2.666 1.903 -10.129 1.00 0.00 N ATOM 172 CA THR A 23 3.433 3.117 -10.542 1.00 0.00 C ATOM 173 C THR A 23 3.236 4.217 -9.493 1.00 0.00 C ATOM 174 O THR A 23 4.167 4.726 -8.926 1.00 0.00 O ATOM 175 CB THR A 23 2.921 3.631 -11.893 1.00 0.00 C ATOM 176 OG1 THR A 23 3.259 4.988 -12.000 1.00 0.00 O ATOM 177 CG2 THR A 23 1.336 3.493 -11.955 1.00 0.00 C ATOM 0 H THR A 23 1.954 1.596 -10.791 1.00 0.00 H new ATOM 0 HA THR A 23 4.488 2.857 -10.628 1.00 0.00 H new ATOM 0 HB THR A 23 3.366 3.054 -12.703 1.00 0.00 H new ATOM 0 HG1 THR A 23 2.942 5.337 -12.859 1.00 0.00 H new ATOM 0 HG21 THR A 23 0.976 3.859 -12.916 1.00 0.00 H new ATOM 0 HG22 THR A 23 1.057 2.446 -11.838 1.00 0.00 H new ATOM 0 HG23 THR A 23 0.888 4.079 -11.153 1.00 0.00 H new ATOM 185 N VAL A 24 2.017 4.586 -9.211 1.00 0.00 N ATOM 186 CA VAL A 24 1.793 5.637 -8.175 1.00 0.00 C ATOM 187 C VAL A 24 2.237 5.115 -6.821 1.00 0.00 C ATOM 188 O VAL A 24 2.774 5.822 -6.010 1.00 0.00 O ATOM 189 CB VAL A 24 0.300 6.012 -8.121 1.00 0.00 C ATOM 190 CG1 VAL A 24 0.167 7.595 -8.076 1.00 0.00 C ATOM 191 CG2 VAL A 24 -0.471 5.512 -9.433 1.00 0.00 C ATOM 0 H VAL A 24 1.174 4.211 -9.647 1.00 0.00 H new ATOM 0 HA VAL A 24 2.373 6.523 -8.432 1.00 0.00 H new ATOM 0 HB VAL A 24 -0.132 5.541 -7.238 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.887 7.871 -8.038 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.675 7.978 -7.191 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.622 8.024 -8.969 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.522 5.791 -9.366 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.028 5.976 -10.314 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.388 4.428 -9.513 1.00 0.00 H new ATOM 201 N ALA A 25 2.039 3.867 -6.580 1.00 0.00 N ATOM 202 CA ALA A 25 2.476 3.280 -5.289 1.00 0.00 C ATOM 203 C ALA A 25 3.971 3.561 -5.113 1.00 0.00 C ATOM 204 O ALA A 25 4.449 3.796 -4.023 1.00 0.00 O ATOM 205 CB ALA A 25 2.247 1.704 -5.341 1.00 0.00 C ATOM 0 H ALA A 25 1.590 3.215 -7.223 1.00 0.00 H new ATOM 0 HA ALA A 25 1.911 3.710 -4.462 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.564 1.259 -4.398 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.190 1.495 -5.503 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.830 1.278 -6.157 1.00 0.00 H new ATOM 211 N HIS A 26 4.707 3.530 -6.175 1.00 0.00 N ATOM 212 CA HIS A 26 6.172 3.792 -6.076 1.00 0.00 C ATOM 213 C HIS A 26 6.362 5.156 -5.419 1.00 0.00 C ATOM 214 O HIS A 26 7.122 5.311 -4.493 1.00 0.00 O ATOM 215 CB HIS A 26 6.771 3.768 -7.494 1.00 0.00 C ATOM 216 CG HIS A 26 8.275 3.920 -7.462 1.00 0.00 C ATOM 217 ND1 HIS A 26 9.114 2.951 -6.927 1.00 0.00 N ATOM 218 CD2 HIS A 26 9.102 4.892 -7.967 1.00 0.00 C ATOM 219 CE1 HIS A 26 10.383 3.360 -7.128 1.00 0.00 C ATOM 220 NE2 HIS A 26 10.436 4.530 -7.755 1.00 0.00 N ATOM 0 H HIS A 26 4.364 3.334 -7.115 1.00 0.00 H new ATOM 0 HA HIS A 26 6.677 3.035 -5.476 1.00 0.00 H new ATOM 0 HB2 HIS A 26 6.509 2.831 -7.985 1.00 0.00 H new ATOM 0 HB3 HIS A 26 6.335 4.572 -8.088 1.00 0.00 H new ATOM 0 HD2 HIS A 26 8.773 5.798 -8.454 1.00 0.00 H new ATOM 0 HE1 HIS A 26 11.254 2.802 -6.816 1.00 0.00 H new ATOM 0 HE2 HIS A 26 11.270 5.052 -8.024 1.00 0.00 H new ATOM 229 N ASP A 27 5.640 6.145 -5.867 1.00 0.00 N ATOM 230 CA ASP A 27 5.749 7.507 -5.235 1.00 0.00 C ATOM 231 C ASP A 27 5.346 7.401 -3.769 1.00 0.00 C ATOM 232 O ASP A 27 5.944 7.985 -2.896 1.00 0.00 O ATOM 233 CB ASP A 27 4.768 8.484 -5.902 1.00 0.00 C ATOM 234 CG ASP A 27 4.967 9.917 -5.398 1.00 0.00 C ATOM 235 OD1 ASP A 27 5.886 10.122 -4.629 1.00 0.00 O ATOM 236 OD2 ASP A 27 4.222 10.787 -5.802 1.00 0.00 O ATOM 0 H ASP A 27 4.979 6.078 -6.641 1.00 0.00 H new ATOM 0 HA ASP A 27 6.773 7.863 -5.348 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.905 8.456 -6.983 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.745 8.166 -5.702 1.00 0.00 H new ATOM 241 N LEU A 28 4.311 6.669 -3.503 1.00 0.00 N ATOM 242 CA LEU A 28 3.829 6.522 -2.102 1.00 0.00 C ATOM 243 C LEU A 28 4.874 5.738 -1.306 1.00 0.00 C ATOM 244 O LEU A 28 5.080 5.960 -0.133 1.00 0.00 O ATOM 245 CB LEU A 28 2.480 5.786 -2.134 1.00 0.00 C ATOM 246 CG LEU A 28 1.475 6.527 -3.018 1.00 0.00 C ATOM 247 CD1 LEU A 28 0.155 5.641 -3.134 1.00 0.00 C ATOM 248 CD2 LEU A 28 1.059 7.904 -2.311 1.00 0.00 C ATOM 0 H LEU A 28 3.769 6.159 -4.200 1.00 0.00 H new ATOM 0 HA LEU A 28 3.689 7.491 -1.623 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.623 4.773 -2.509 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.085 5.698 -1.122 1.00 0.00 H new ATOM 0 HG LEU A 28 1.920 6.714 -3.995 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.574 6.154 -3.761 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.402 4.677 -3.579 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.267 5.485 -2.141 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.343 8.434 -2.939 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.606 7.693 -1.342 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.945 8.523 -2.170 1.00 0.00 H new ATOM 260 N LEU A 29 5.563 4.848 -1.955 1.00 0.00 N ATOM 261 CA LEU A 29 6.630 4.048 -1.272 1.00 0.00 C ATOM 262 C LEU A 29 7.643 5.042 -0.663 1.00 0.00 C ATOM 263 O LEU A 29 8.133 4.860 0.431 1.00 0.00 O ATOM 264 CB LEU A 29 7.321 3.158 -2.341 1.00 0.00 C ATOM 265 CG LEU A 29 8.178 2.038 -1.717 1.00 0.00 C ATOM 266 CD1 LEU A 29 8.433 0.877 -2.770 1.00 0.00 C ATOM 267 CD2 LEU A 29 9.587 2.597 -1.235 1.00 0.00 C ATOM 0 H LEU A 29 5.436 4.632 -2.944 1.00 0.00 H new ATOM 0 HA LEU A 29 6.222 3.414 -0.485 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.562 2.714 -2.984 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.951 3.782 -2.975 1.00 0.00 H new ATOM 0 HG LEU A 29 7.628 1.650 -0.860 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.039 0.096 -2.311 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.478 0.456 -3.086 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.956 1.280 -3.637 1.00 0.00 H new ATOM 0 HD21 LEU A 29 10.170 1.786 -0.799 1.00 0.00 H new ATOM 0 HD22 LEU A 29 10.124 3.013 -2.087 1.00 0.00 H new ATOM 0 HD23 LEU A 29 9.433 3.376 -0.488 1.00 0.00 H new ATOM 279 N LEU A 30 7.945 6.103 -1.358 1.00 0.00 N ATOM 280 CA LEU A 30 8.901 7.131 -0.819 1.00 0.00 C ATOM 281 C LEU A 30 8.268 7.729 0.453 1.00 0.00 C ATOM 282 O LEU A 30 8.942 8.138 1.372 1.00 0.00 O ATOM 283 CB LEU A 30 9.105 8.246 -1.872 1.00 0.00 C ATOM 284 CG LEU A 30 10.066 7.813 -3.002 1.00 0.00 C ATOM 285 CD1 LEU A 30 9.414 6.718 -3.938 1.00 0.00 C ATOM 286 CD2 LEU A 30 10.473 9.058 -3.903 1.00 0.00 C ATOM 0 H LEU A 30 7.571 6.310 -2.284 1.00 0.00 H new ATOM 0 HA LEU A 30 9.868 6.682 -0.593 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.141 8.518 -2.302 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.499 9.137 -1.383 1.00 0.00 H new ATOM 0 HG LEU A 30 10.948 7.393 -2.518 1.00 0.00 H new ATOM 0 HD11 LEU A 30 10.121 6.440 -4.720 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.162 5.838 -3.347 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.509 7.121 -4.393 1.00 0.00 H new ATOM 0 HD21 LEU A 30 11.150 8.730 -4.692 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.578 9.492 -4.349 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.970 9.806 -3.286 1.00 0.00 H new ATOM 298 N ALA A 31 6.972 7.770 0.512 1.00 0.00 N ATOM 299 CA ALA A 31 6.296 8.322 1.724 1.00 0.00 C ATOM 300 C ALA A 31 6.585 7.396 2.902 1.00 0.00 C ATOM 301 O ALA A 31 6.631 7.796 4.039 1.00 0.00 O ATOM 302 CB ALA A 31 4.726 8.390 1.464 1.00 0.00 C ATOM 0 H ALA A 31 6.345 7.446 -0.225 1.00 0.00 H new ATOM 0 HA ALA A 31 6.665 9.324 1.942 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.228 8.792 2.346 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.526 9.036 0.609 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.347 7.389 1.259 1.00 0.00 H new ATOM 308 N GLY A 32 6.786 6.140 2.625 1.00 0.00 N ATOM 309 CA GLY A 32 7.093 5.155 3.708 1.00 0.00 C ATOM 310 C GLY A 32 5.845 4.909 4.547 1.00 0.00 C ATOM 311 O GLY A 32 5.874 4.963 5.757 1.00 0.00 O ATOM 0 H GLY A 32 6.751 5.745 1.685 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.441 4.218 3.273 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.898 5.532 4.338 1.00 0.00 H new ATOM 315 N HIS A 33 4.749 4.641 3.918 1.00 0.00 N ATOM 316 CA HIS A 33 3.491 4.385 4.677 1.00 0.00 C ATOM 317 C HIS A 33 3.213 2.881 4.716 1.00 0.00 C ATOM 318 O HIS A 33 3.861 2.097 4.061 1.00 0.00 O ATOM 319 CB HIS A 33 2.336 5.123 3.999 1.00 0.00 C ATOM 320 CG HIS A 33 1.115 5.109 4.885 1.00 0.00 C ATOM 321 ND1 HIS A 33 0.980 5.922 6.006 1.00 0.00 N ATOM 322 CD2 HIS A 33 -0.050 4.398 4.798 1.00 0.00 C ATOM 323 CE1 HIS A 33 -0.238 5.677 6.534 1.00 0.00 C ATOM 324 NE2 HIS A 33 -0.905 4.761 5.841 1.00 0.00 N ATOM 0 H HIS A 33 4.661 4.586 2.903 1.00 0.00 H new ATOM 0 HA HIS A 33 3.594 4.748 5.700 1.00 0.00 H new ATOM 0 HB2 HIS A 33 2.628 6.151 3.786 1.00 0.00 H new ATOM 0 HB3 HIS A 33 2.106 4.652 3.043 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -0.275 3.666 4.037 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.624 6.168 7.415 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -1.840 4.400 6.030 1.00 0.00 H new ATOM 333 N ARG A 34 2.261 2.483 5.505 1.00 0.00 N ATOM 334 CA ARG A 34 1.916 1.029 5.635 1.00 0.00 C ATOM 335 C ARG A 34 1.497 0.476 4.280 1.00 0.00 C ATOM 336 O ARG A 34 0.658 1.011 3.594 1.00 0.00 O ATOM 337 CB ARG A 34 0.791 0.853 6.672 1.00 0.00 C ATOM 338 CG ARG A 34 1.282 1.276 8.127 1.00 0.00 C ATOM 339 CD ARG A 34 2.058 0.104 8.845 1.00 0.00 C ATOM 340 NE ARG A 34 1.177 -1.157 9.294 1.00 0.00 N ATOM 341 CZ ARG A 34 1.915 -2.151 9.793 1.00 0.00 C ATOM 342 NH1 ARG A 34 2.642 -2.618 8.936 1.00 0.00 N ATOM 343 NH2 ARG A 34 1.031 -2.923 10.238 1.00 0.00 N ATOM 0 H ARG A 34 1.693 3.107 6.078 1.00 0.00 H new ATOM 0 HA ARG A 34 2.790 0.475 5.977 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -0.070 1.457 6.385 1.00 0.00 H new ATOM 0 HB3 ARG A 34 0.462 -0.186 6.684 1.00 0.00 H new ATOM 0 HG2 ARG A 34 1.930 2.150 8.053 1.00 0.00 H new ATOM 0 HG3 ARG A 34 0.422 1.567 8.731 1.00 0.00 H new ATOM 0 HD2 ARG A 34 2.843 -0.248 8.176 1.00 0.00 H new ATOM 0 HD3 ARG A 34 2.550 0.510 9.729 1.00 0.00 H new ATOM 0 HE ARG A 34 0.161 -1.196 9.208 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.624 -2.238 7.989 1.00 0.00 H new ATOM 0 HH12 ARG A 34 3.270 -3.389 9.164 1.00 0.00 H new ATOM 0 HH21 ARG A 34 0.045 -2.677 10.146 1.00 0.00 H new ATOM 0 HH22 ARG A 34 1.298 -3.797 10.692 1.00 0.00 H new ATOM 357 N TYR A 35 2.102 -0.595 3.887 1.00 0.00 N ATOM 358 CA TYR A 35 1.799 -1.215 2.566 1.00 0.00 C ATOM 359 C TYR A 35 1.056 -2.543 2.796 1.00 0.00 C ATOM 360 O TYR A 35 1.622 -3.522 3.214 1.00 0.00 O ATOM 361 CB TYR A 35 3.113 -1.490 1.843 1.00 0.00 C ATOM 362 CG TYR A 35 2.894 -1.612 0.338 1.00 0.00 C ATOM 363 CD1 TYR A 35 2.752 -0.465 -0.466 1.00 0.00 C ATOM 364 CD2 TYR A 35 2.818 -2.887 -0.257 1.00 0.00 C ATOM 365 CE1 TYR A 35 2.518 -0.596 -1.840 1.00 0.00 C ATOM 366 CE2 TYR A 35 2.578 -3.012 -1.629 1.00 0.00 C ATOM 367 CZ TYR A 35 2.440 -1.868 -2.430 1.00 0.00 C ATOM 368 OH TYR A 35 2.198 -1.998 -3.784 1.00 0.00 O ATOM 0 H TYR A 35 2.812 -1.084 4.432 1.00 0.00 H new ATOM 0 HA TYR A 35 1.179 -0.547 1.968 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.820 -0.686 2.047 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.557 -2.409 2.225 1.00 0.00 H new ATOM 0 HD1 TYR A 35 2.824 0.517 -0.022 1.00 0.00 H new ATOM 0 HD2 TYR A 35 2.946 -3.772 0.349 1.00 0.00 H new ATOM 0 HE1 TYR A 35 2.397 0.287 -2.450 1.00 0.00 H new ATOM 0 HE2 TYR A 35 2.499 -3.993 -2.074 1.00 0.00 H new ATOM 0 HH TYR A 35 2.177 -2.948 -4.023 1.00 0.00 H new ATOM 378 N LEU A 36 -0.212 -2.578 2.532 1.00 0.00 N ATOM 379 CA LEU A 36 -0.997 -3.834 2.731 1.00 0.00 C ATOM 380 C LEU A 36 -1.170 -4.523 1.373 1.00 0.00 C ATOM 381 O LEU A 36 -1.447 -3.904 0.371 1.00 0.00 O ATOM 382 CB LEU A 36 -2.356 -3.432 3.346 1.00 0.00 C ATOM 383 CG LEU A 36 -3.066 -4.617 4.025 1.00 0.00 C ATOM 384 CD1 LEU A 36 -2.807 -5.935 3.177 1.00 0.00 C ATOM 385 CD2 LEU A 36 -2.486 -4.843 5.493 1.00 0.00 C ATOM 0 H LEU A 36 -0.751 -1.786 2.183 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.495 -4.534 3.399 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.201 -2.638 4.076 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.999 -3.025 2.565 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.132 -4.399 4.084 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.308 -6.778 3.653 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.200 -5.802 2.169 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.736 -6.130 3.126 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.998 -5.684 5.961 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.418 -5.055 5.434 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.645 -3.945 6.089 1.00 0.00 H new ATOM 397 N ASP A 37 -0.974 -5.794 1.337 1.00 0.00 N ATOM 398 CA ASP A 37 -1.107 -6.557 0.060 1.00 0.00 C ATOM 399 C ASP A 37 -1.829 -7.864 0.362 1.00 0.00 C ATOM 400 O ASP A 37 -1.549 -8.528 1.327 1.00 0.00 O ATOM 401 CB ASP A 37 0.289 -6.898 -0.493 1.00 0.00 C ATOM 402 CG ASP A 37 1.184 -5.652 -0.539 1.00 0.00 C ATOM 403 OD1 ASP A 37 0.659 -4.557 -0.518 1.00 0.00 O ATOM 404 OD2 ASP A 37 2.385 -5.820 -0.614 1.00 0.00 O ATOM 0 H ASP A 37 -0.722 -6.360 2.147 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.655 -5.960 -0.669 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.754 -7.661 0.131 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.194 -7.319 -1.494 1.00 0.00 H new ATOM 409 N VAL A 38 -2.723 -8.251 -0.471 1.00 0.00 N ATOM 410 CA VAL A 38 -3.422 -9.546 -0.261 1.00 0.00 C ATOM 411 C VAL A 38 -3.418 -10.303 -1.577 1.00 0.00 C ATOM 412 O VAL A 38 -4.400 -10.383 -2.282 1.00 0.00 O ATOM 413 CB VAL A 38 -4.861 -9.309 0.224 1.00 0.00 C ATOM 414 CG1 VAL A 38 -4.803 -8.346 1.490 1.00 0.00 C ATOM 415 CG2 VAL A 38 -5.701 -8.568 -0.906 1.00 0.00 C ATOM 0 H VAL A 38 -3.011 -7.731 -1.300 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.910 -10.128 0.505 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.325 -10.265 0.464 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.814 -8.162 1.854 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.214 -8.816 2.278 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.342 -7.400 1.207 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.719 -8.404 -0.554 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.237 -7.608 -1.134 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.723 -9.183 -1.806 1.00 0.00 H new ATOM 425 N ARG A 39 -2.292 -10.846 -1.916 1.00 0.00 N ATOM 426 CA ARG A 39 -2.162 -11.609 -3.193 1.00 0.00 C ATOM 427 C ARG A 39 -2.672 -13.019 -2.933 1.00 0.00 C ATOM 428 O ARG A 39 -3.362 -13.603 -3.735 1.00 0.00 O ATOM 429 CB ARG A 39 -0.688 -11.686 -3.606 1.00 0.00 C ATOM 430 CG ARG A 39 -0.237 -10.286 -4.132 1.00 0.00 C ATOM 431 CD ARG A 39 0.586 -9.482 -3.065 1.00 0.00 C ATOM 432 NE ARG A 39 2.060 -9.929 -2.759 1.00 0.00 N ATOM 433 CZ ARG A 39 2.832 -8.884 -2.395 1.00 0.00 C ATOM 434 NH1 ARG A 39 2.483 -8.433 -1.326 1.00 0.00 N ATOM 435 NH2 ARG A 39 3.967 -9.430 -2.409 1.00 0.00 N ATOM 0 H ARG A 39 -1.439 -10.797 -1.359 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.728 -11.121 -3.986 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.074 -11.986 -2.757 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.552 -12.441 -4.380 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.367 -10.416 -5.030 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.116 -9.709 -4.419 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.616 -8.441 -3.386 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.030 -9.511 -2.128 1.00 0.00 H new ATOM 0 HE ARG A 39 2.393 -10.891 -2.827 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.695 -8.849 -0.829 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.977 -7.637 -0.923 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.056 -10.415 -2.659 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.797 -8.887 -2.171 1.00 0.00 H new ATOM 449 N THR A 40 -2.327 -13.577 -1.811 1.00 0.00 N ATOM 450 CA THR A 40 -2.792 -14.960 -1.508 1.00 0.00 C ATOM 451 C THR A 40 -2.190 -15.436 -0.182 1.00 0.00 C ATOM 452 O THR A 40 -1.089 -15.087 0.169 1.00 0.00 O ATOM 453 CB THR A 40 -2.313 -15.839 -2.660 1.00 0.00 C ATOM 454 OG1 THR A 40 -1.403 -15.082 -3.434 1.00 0.00 O ATOM 455 CG2 THR A 40 -3.558 -16.255 -3.552 1.00 0.00 C ATOM 0 H THR A 40 -1.747 -13.142 -1.093 1.00 0.00 H new ATOM 0 HA THR A 40 -3.877 -15.004 -1.409 1.00 0.00 H new ATOM 0 HB THR A 40 -1.830 -16.741 -2.284 1.00 0.00 H new ATOM 0 HG1 THR A 40 -1.885 -14.636 -4.162 1.00 0.00 H new ATOM 0 HG21 THR A 40 -3.221 -16.883 -4.377 1.00 0.00 H new ATOM 0 HG22 THR A 40 -4.273 -16.808 -2.943 1.00 0.00 H new ATOM 0 HG23 THR A 40 -4.036 -15.360 -3.950 1.00 0.00 H new ATOM 463 N PRO A 41 -2.935 -16.195 0.573 1.00 0.00 N ATOM 464 CA PRO A 41 -2.461 -16.712 1.878 1.00 0.00 C ATOM 465 C PRO A 41 -1.032 -17.204 1.783 1.00 0.00 C ATOM 466 O PRO A 41 -0.274 -17.188 2.724 1.00 0.00 O ATOM 467 CB PRO A 41 -3.437 -17.854 2.192 1.00 0.00 C ATOM 468 CG PRO A 41 -4.677 -17.603 1.398 1.00 0.00 C ATOM 469 CD PRO A 41 -4.330 -16.629 0.263 1.00 0.00 C ATOM 0 HA PRO A 41 -2.448 -15.951 2.659 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -3.000 -18.817 1.929 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.662 -17.886 3.258 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -5.064 -18.538 0.992 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -5.457 -17.184 2.033 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.390 -17.114 -0.711 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -5.016 -15.782 0.240 1.00 0.00 H new ATOM 477 N GLU A 42 -0.643 -17.634 0.622 1.00 0.00 N ATOM 478 CA GLU A 42 0.747 -18.132 0.431 1.00 0.00 C ATOM 479 C GLU A 42 1.704 -16.943 0.515 1.00 0.00 C ATOM 480 O GLU A 42 2.829 -17.065 0.940 1.00 0.00 O ATOM 481 CB GLU A 42 0.871 -18.784 -0.952 1.00 0.00 C ATOM 482 CG GLU A 42 0.002 -20.042 -1.001 1.00 0.00 C ATOM 483 CD GLU A 42 0.146 -20.724 -2.365 1.00 0.00 C ATOM 484 OE1 GLU A 42 0.745 -20.130 -3.240 1.00 0.00 O ATOM 485 OE2 GLU A 42 -0.352 -21.821 -2.516 1.00 0.00 O ATOM 0 H GLU A 42 -1.230 -17.663 -0.211 1.00 0.00 H new ATOM 0 HA GLU A 42 0.989 -18.867 1.199 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.559 -18.083 -1.726 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.911 -19.039 -1.154 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.297 -20.729 -0.208 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.041 -19.781 -0.824 1.00 0.00 H new ATOM 492 N GLU A 43 1.267 -15.785 0.117 1.00 0.00 N ATOM 493 CA GLU A 43 2.161 -14.581 0.170 1.00 0.00 C ATOM 494 C GLU A 43 2.700 -14.423 1.592 1.00 0.00 C ATOM 495 O GLU A 43 3.811 -14.003 1.812 1.00 0.00 O ATOM 496 CB GLU A 43 1.356 -13.330 -0.219 1.00 0.00 C ATOM 497 CG GLU A 43 2.309 -12.155 -0.469 1.00 0.00 C ATOM 498 CD GLU A 43 3.145 -12.416 -1.724 1.00 0.00 C ATOM 499 OE1 GLU A 43 2.704 -13.175 -2.562 1.00 0.00 O ATOM 500 OE2 GLU A 43 4.213 -11.844 -1.828 1.00 0.00 O ATOM 0 H GLU A 43 0.329 -15.612 -0.245 1.00 0.00 H new ATOM 0 HA GLU A 43 2.991 -14.705 -0.525 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.767 -13.529 -1.114 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.653 -13.077 0.575 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.740 -11.233 -0.587 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.964 -12.018 0.392 1.00 0.00 H new ATOM 507 N PHE A 44 1.909 -14.773 2.554 1.00 0.00 N ATOM 508 CA PHE A 44 2.332 -14.693 3.991 1.00 0.00 C ATOM 509 C PHE A 44 3.216 -15.899 4.314 1.00 0.00 C ATOM 510 O PHE A 44 4.164 -15.820 5.063 1.00 0.00 O ATOM 511 CB PHE A 44 1.068 -14.768 4.845 1.00 0.00 C ATOM 512 CG PHE A 44 1.365 -14.613 6.319 1.00 0.00 C ATOM 513 CD1 PHE A 44 1.511 -13.322 6.860 1.00 0.00 C ATOM 514 CD2 PHE A 44 1.485 -15.738 7.150 1.00 0.00 C ATOM 515 CE1 PHE A 44 1.754 -13.155 8.226 1.00 0.00 C ATOM 516 CE2 PHE A 44 1.731 -15.571 8.517 1.00 0.00 C ATOM 517 CZ PHE A 44 1.878 -14.281 9.056 1.00 0.00 C ATOM 0 H PHE A 44 0.961 -15.121 2.413 1.00 0.00 H new ATOM 0 HA PHE A 44 2.882 -13.772 4.185 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.373 -13.988 4.532 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.572 -15.724 4.674 1.00 0.00 H new ATOM 0 HD1 PHE A 44 1.435 -12.457 6.217 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.388 -16.730 6.735 1.00 0.00 H new ATOM 0 HE1 PHE A 44 1.846 -12.163 8.642 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.808 -16.435 9.160 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.086 -14.156 10.108 1.00 0.00 H new ATOM 527 N SER A 45 2.892 -17.026 3.754 1.00 0.00 N ATOM 528 CA SER A 45 3.685 -18.266 4.025 1.00 0.00 C ATOM 529 C SER A 45 5.085 -18.094 3.455 1.00 0.00 C ATOM 530 O SER A 45 6.065 -18.460 4.060 1.00 0.00 O ATOM 531 CB SER A 45 3.010 -19.466 3.353 1.00 0.00 C ATOM 532 OG SER A 45 3.602 -20.666 3.824 1.00 0.00 O ATOM 0 H SER A 45 2.107 -17.149 3.114 1.00 0.00 H new ATOM 0 HA SER A 45 3.739 -18.437 5.100 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.942 -19.465 3.571 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.115 -19.397 2.270 1.00 0.00 H new ATOM 0 HG SER A 45 3.170 -21.434 3.396 1.00 0.00 H new ATOM 538 N GLN A 46 5.188 -17.523 2.298 1.00 0.00 N ATOM 539 CA GLN A 46 6.531 -17.327 1.677 1.00 0.00 C ATOM 540 C GLN A 46 7.232 -16.166 2.385 1.00 0.00 C ATOM 541 O GLN A 46 8.278 -15.709 1.983 1.00 0.00 O ATOM 542 CB GLN A 46 6.363 -17.035 0.174 1.00 0.00 C ATOM 543 CG GLN A 46 5.549 -15.757 -0.032 1.00 0.00 C ATOM 544 CD GLN A 46 6.422 -14.522 0.188 1.00 0.00 C ATOM 545 OE1 GLN A 46 7.597 -14.520 -0.108 1.00 0.00 O ATOM 546 NE2 GLN A 46 5.883 -13.458 0.696 1.00 0.00 N ATOM 0 H GLN A 46 4.401 -17.179 1.747 1.00 0.00 H new ATOM 0 HA GLN A 46 7.137 -18.227 1.784 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.342 -16.930 -0.294 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.865 -17.874 -0.313 1.00 0.00 H new ATOM 0 HG2 GLN A 46 5.135 -15.742 -1.040 1.00 0.00 H new ATOM 0 HG3 GLN A 46 4.706 -15.741 0.659 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.894 -13.457 0.946 1.00 0.00 H new ATOM 0 HE22 GLN A 46 6.448 -12.622 0.846 1.00 0.00 H new ATOM 555 N GLY A 47 6.663 -15.712 3.464 1.00 0.00 N ATOM 556 CA GLY A 47 7.284 -14.604 4.262 1.00 0.00 C ATOM 557 C GLY A 47 6.802 -13.248 3.776 1.00 0.00 C ATOM 558 O GLY A 47 5.798 -13.118 3.118 1.00 0.00 O ATOM 0 H GLY A 47 5.781 -16.062 3.838 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.035 -14.726 5.316 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.370 -14.658 4.183 1.00 0.00 H new ATOM 562 N HIS A 48 7.533 -12.236 4.098 1.00 0.00 N ATOM 563 CA HIS A 48 7.148 -10.863 3.667 1.00 0.00 C ATOM 564 C HIS A 48 8.022 -10.438 2.492 1.00 0.00 C ATOM 565 O HIS A 48 8.584 -11.232 1.774 1.00 0.00 O ATOM 566 CB HIS A 48 7.261 -9.895 4.858 1.00 0.00 C ATOM 567 CG HIS A 48 6.334 -10.283 5.982 1.00 0.00 C ATOM 568 ND1 HIS A 48 6.773 -10.349 7.300 1.00 0.00 N ATOM 569 CD2 HIS A 48 5.016 -10.658 6.009 1.00 0.00 C ATOM 570 CE1 HIS A 48 5.732 -10.753 8.053 1.00 0.00 C ATOM 571 NE2 HIS A 48 4.640 -10.955 7.325 1.00 0.00 N ATOM 0 H HIS A 48 8.391 -12.292 4.647 1.00 0.00 H new ATOM 0 HA HIS A 48 6.111 -10.847 3.332 1.00 0.00 H new ATOM 0 HB2 HIS A 48 8.289 -9.884 5.221 1.00 0.00 H new ATOM 0 HB3 HIS A 48 7.028 -8.883 4.528 1.00 0.00 H new ATOM 0 HD2 HIS A 48 4.367 -10.716 5.148 1.00 0.00 H new ATOM 0 HE1 HIS A 48 5.780 -10.896 9.122 1.00 0.00 H new ATOM 0 HE2 HIS A 48 3.724 -11.261 7.654 1.00 0.00 H new ATOM 580 N ALA A 49 8.100 -9.162 2.282 1.00 0.00 N ATOM 581 CA ALA A 49 8.901 -8.632 1.147 1.00 0.00 C ATOM 582 C ALA A 49 9.609 -7.351 1.582 1.00 0.00 C ATOM 583 O ALA A 49 9.342 -6.786 2.621 1.00 0.00 O ATOM 584 CB ALA A 49 7.939 -8.302 -0.086 1.00 0.00 C ATOM 0 H ALA A 49 7.639 -8.453 2.852 1.00 0.00 H new ATOM 0 HA ALA A 49 9.635 -9.379 0.847 1.00 0.00 H new ATOM 0 HB1 ALA A 49 8.530 -7.914 -0.915 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.426 -9.211 -0.400 1.00 0.00 H new ATOM 0 HB3 ALA A 49 7.204 -7.556 0.216 1.00 0.00 H new ATOM 590 N CYS A 50 10.497 -6.897 0.774 1.00 0.00 N ATOM 591 CA CYS A 50 11.272 -5.663 1.074 1.00 0.00 C ATOM 592 C CYS A 50 10.422 -4.470 0.670 1.00 0.00 C ATOM 593 O CYS A 50 10.230 -4.170 -0.486 1.00 0.00 O ATOM 594 CB CYS A 50 12.604 -5.675 0.335 1.00 0.00 C ATOM 595 SG CYS A 50 13.711 -4.562 1.200 1.00 0.00 S ATOM 0 H CYS A 50 10.734 -7.337 -0.115 1.00 0.00 H new ATOM 0 HA CYS A 50 11.502 -5.605 2.138 1.00 0.00 H new ATOM 0 HB2 CYS A 50 13.018 -6.683 0.308 1.00 0.00 H new ATOM 0 HB3 CYS A 50 12.471 -5.357 -0.699 1.00 0.00 H new ATOM 0 HG CYS A 50 14.547 -5.252 1.918 1.00 0.00 H new ATOM 601 N GLY A 51 9.904 -3.790 1.644 1.00 0.00 N ATOM 602 CA GLY A 51 9.061 -2.588 1.385 1.00 0.00 C ATOM 603 C GLY A 51 7.656 -3.042 1.031 1.00 0.00 C ATOM 604 O GLY A 51 6.921 -2.369 0.349 1.00 0.00 O ATOM 0 H GLY A 51 10.029 -4.017 2.631 1.00 0.00 H new ATOM 0 HA2 GLY A 51 9.039 -1.946 2.265 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.484 -1.999 0.571 1.00 0.00 H new ATOM 608 N ALA A 52 7.275 -4.189 1.483 1.00 0.00 N ATOM 609 CA ALA A 52 5.912 -4.689 1.158 1.00 0.00 C ATOM 610 C ALA A 52 5.403 -5.560 2.295 1.00 0.00 C ATOM 611 O ALA A 52 6.005 -6.519 2.698 1.00 0.00 O ATOM 612 CB ALA A 52 5.988 -5.566 -0.168 1.00 0.00 C ATOM 0 H ALA A 52 7.842 -4.807 2.063 1.00 0.00 H new ATOM 0 HA ALA A 52 5.238 -3.845 1.015 1.00 0.00 H new ATOM 0 HB1 ALA A 52 4.994 -5.938 -0.416 1.00 0.00 H new ATOM 0 HB2 ALA A 52 6.361 -4.953 -0.989 1.00 0.00 H new ATOM 0 HB3 ALA A 52 6.661 -6.408 -0.009 1.00 0.00 H new ATOM 618 N ILE A 53 4.275 -5.222 2.820 1.00 0.00 N ATOM 619 CA ILE A 53 3.705 -6.036 3.914 1.00 0.00 C ATOM 620 C ILE A 53 2.378 -6.646 3.480 1.00 0.00 C ATOM 621 O ILE A 53 1.406 -5.974 3.239 1.00 0.00 O ATOM 622 CB ILE A 53 3.519 -5.126 5.116 1.00 0.00 C ATOM 623 CG1 ILE A 53 4.877 -4.922 5.787 1.00 0.00 C ATOM 624 CG2 ILE A 53 2.510 -5.778 6.146 1.00 0.00 C ATOM 625 CD1 ILE A 53 4.695 -3.846 6.952 1.00 0.00 C ATOM 0 H ILE A 53 3.718 -4.415 2.540 1.00 0.00 H new ATOM 0 HA ILE A 53 4.372 -6.859 4.171 1.00 0.00 H new ATOM 0 HB ILE A 53 3.112 -4.169 4.790 1.00 0.00 H new ATOM 0 HG12 ILE A 53 5.247 -5.864 6.192 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.613 -4.577 5.061 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.386 -5.116 7.003 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.545 -5.931 5.663 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.903 -6.737 6.483 1.00 0.00 H new ATOM 0 HD11 ILE A 53 5.652 -3.682 7.448 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.340 -2.907 6.528 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.969 -4.214 7.677 1.00 0.00 H new ATOM 637 N ASN A 54 2.355 -7.935 3.356 1.00 0.00 N ATOM 638 CA ASN A 54 1.119 -8.630 2.890 1.00 0.00 C ATOM 639 C ASN A 54 0.362 -9.159 4.083 1.00 0.00 C ATOM 640 O ASN A 54 0.915 -9.731 4.988 1.00 0.00 O ATOM 641 CB ASN A 54 1.487 -9.800 1.968 1.00 0.00 C ATOM 642 CG ASN A 54 0.235 -10.439 1.372 1.00 0.00 C ATOM 643 OD1 ASN A 54 -0.159 -10.059 0.198 1.00 0.00 O flip ATOM 644 ND2 ASN A 54 -0.387 -11.293 1.970 1.00 0.00 N flip ATOM 0 H ASN A 54 3.144 -8.549 3.558 1.00 0.00 H new ATOM 0 HA ASN A 54 0.499 -7.921 2.341 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.136 -9.447 1.167 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.050 -10.547 2.528 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -0.079 -11.595 2.895 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -1.217 -11.709 1.548 1.00 0.00 H new ATOM 651 N VAL A 55 -0.897 -8.966 4.095 1.00 0.00 N ATOM 652 CA VAL A 55 -1.696 -9.462 5.226 1.00 0.00 C ATOM 653 C VAL A 55 -3.015 -10.027 4.697 1.00 0.00 C ATOM 654 O VAL A 55 -3.978 -9.320 4.473 1.00 0.00 O ATOM 655 CB VAL A 55 -1.912 -8.301 6.196 1.00 0.00 C ATOM 656 CG1 VAL A 55 -3.156 -8.601 7.141 1.00 0.00 C ATOM 657 CG2 VAL A 55 -0.619 -8.130 7.099 1.00 0.00 C ATOM 0 H VAL A 55 -1.422 -8.482 3.367 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.187 -10.266 5.757 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.101 -7.392 5.624 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.301 -7.767 7.828 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.052 -8.730 6.533 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.969 -9.512 7.710 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.767 -7.303 7.793 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.443 -9.048 7.660 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.243 -7.922 6.465 1.00 0.00 H new ATOM 667 N PRO A 56 -3.021 -11.304 4.430 1.00 0.00 N ATOM 668 CA PRO A 56 -4.203 -11.992 3.874 1.00 0.00 C ATOM 669 C PRO A 56 -5.283 -12.181 4.915 1.00 0.00 C ATOM 670 O PRO A 56 -5.393 -13.193 5.577 1.00 0.00 O ATOM 671 CB PRO A 56 -3.649 -13.328 3.343 1.00 0.00 C ATOM 672 CG PRO A 56 -2.361 -13.578 4.053 1.00 0.00 C ATOM 673 CD PRO A 56 -1.885 -12.247 4.660 1.00 0.00 C ATOM 0 HA PRO A 56 -4.690 -11.417 3.087 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.354 -14.138 3.527 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.492 -13.280 2.265 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -2.496 -14.326 4.834 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -1.615 -13.970 3.362 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -1.665 -12.351 5.722 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.973 -11.895 4.178 1.00 0.00 H new ATOM 681 N TYR A 57 -6.098 -11.181 5.060 1.00 0.00 N ATOM 682 CA TYR A 57 -7.203 -11.244 6.057 1.00 0.00 C ATOM 683 C TYR A 57 -8.178 -12.340 5.675 1.00 0.00 C ATOM 684 O TYR A 57 -8.396 -13.290 6.392 1.00 0.00 O ATOM 685 CB TYR A 57 -7.907 -9.897 6.030 1.00 0.00 C ATOM 686 CG TYR A 57 -8.708 -9.649 7.295 1.00 0.00 C ATOM 687 CD1 TYR A 57 -8.090 -9.640 8.556 1.00 0.00 C ATOM 688 CD2 TYR A 57 -10.088 -9.408 7.192 1.00 0.00 C ATOM 689 CE1 TYR A 57 -8.853 -9.396 9.702 1.00 0.00 C ATOM 690 CE2 TYR A 57 -10.845 -9.168 8.335 1.00 0.00 C ATOM 691 CZ TYR A 57 -10.233 -9.156 9.597 1.00 0.00 C ATOM 692 OH TYR A 57 -10.987 -8.915 10.728 1.00 0.00 O ATOM 0 H TYR A 57 -6.048 -10.313 4.527 1.00 0.00 H new ATOM 0 HA TYR A 57 -6.816 -11.462 7.053 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -7.169 -9.104 5.907 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -8.570 -9.852 5.166 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -7.029 -9.821 8.640 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -10.563 -9.409 6.222 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -8.379 -9.392 10.672 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -11.907 -8.990 8.250 1.00 0.00 H new ATOM 0 HH TYR A 57 -10.989 -9.713 11.296 1.00 0.00 H new ATOM 702 N MET A 58 -8.766 -12.208 4.542 1.00 0.00 N ATOM 703 CA MET A 58 -9.744 -13.228 4.084 1.00 0.00 C ATOM 704 C MET A 58 -9.621 -13.432 2.582 1.00 0.00 C ATOM 705 O MET A 58 -9.278 -12.544 1.840 1.00 0.00 O ATOM 706 CB MET A 58 -11.149 -12.754 4.428 1.00 0.00 C ATOM 707 CG MET A 58 -11.286 -12.499 5.920 1.00 0.00 C ATOM 708 SD MET A 58 -10.938 -14.049 6.767 1.00 0.00 S ATOM 709 CE MET A 58 -10.158 -13.321 8.312 1.00 0.00 C ATOM 0 H MET A 58 -8.617 -11.432 3.897 1.00 0.00 H new ATOM 0 HA MET A 58 -9.542 -14.176 4.582 1.00 0.00 H new ATOM 0 HB2 MET A 58 -11.374 -11.841 3.877 1.00 0.00 H new ATOM 0 HB3 MET A 58 -11.877 -13.503 4.115 1.00 0.00 H new ATOM 0 HG2 MET A 58 -10.592 -11.722 6.242 1.00 0.00 H new ATOM 0 HG3 MET A 58 -12.290 -12.149 6.159 1.00 0.00 H new ATOM 0 HE1 MET A 58 -9.600 -14.096 8.838 1.00 0.00 H new ATOM 0 HE2 MET A 58 -9.482 -12.513 8.032 1.00 0.00 H new ATOM 0 HE3 MET A 58 -10.939 -12.930 8.964 1.00 0.00 H new ATOM 719 N ASN A 59 -9.907 -14.604 2.136 1.00 0.00 N ATOM 720 CA ASN A 59 -9.830 -14.904 0.673 1.00 0.00 C ATOM 721 C ASN A 59 -10.865 -15.976 0.347 1.00 0.00 C ATOM 722 O ASN A 59 -10.839 -17.059 0.876 1.00 0.00 O ATOM 723 CB ASN A 59 -8.434 -15.415 0.331 1.00 0.00 C ATOM 724 CG ASN A 59 -7.458 -14.246 0.287 1.00 0.00 C ATOM 725 OD1 ASN A 59 -6.536 -14.168 1.191 1.00 0.00 O flip ATOM 726 ND2 ASN A 59 -7.533 -13.396 -0.574 1.00 0.00 N flip ATOM 0 H ASN A 59 -10.197 -15.389 2.720 1.00 0.00 H new ATOM 0 HA ASN A 59 -10.029 -14.004 0.092 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.111 -16.144 1.074 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.449 -15.926 -0.632 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -8.259 -13.456 -1.288 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -6.870 -12.621 -0.585 1.00 0.00 H new ATOM 733 N ARG A 60 -11.778 -15.677 -0.520 1.00 0.00 N ATOM 734 CA ARG A 60 -12.833 -16.688 -0.878 1.00 0.00 C ATOM 735 C ARG A 60 -12.386 -17.433 -2.125 1.00 0.00 C ATOM 736 O ARG A 60 -12.101 -16.862 -3.148 1.00 0.00 O ATOM 737 CB ARG A 60 -14.167 -15.972 -1.174 1.00 0.00 C ATOM 738 CG ARG A 60 -14.102 -15.221 -2.547 1.00 0.00 C ATOM 739 CD ARG A 60 -15.225 -14.107 -2.671 1.00 0.00 C ATOM 740 NE ARG A 60 -15.298 -13.378 -4.092 1.00 0.00 N ATOM 741 CZ ARG A 60 -16.477 -12.785 -4.313 1.00 0.00 C ATOM 742 NH1 ARG A 60 -17.335 -13.623 -4.422 1.00 0.00 N ATOM 743 NH2 ARG A 60 -16.205 -12.146 -5.383 1.00 0.00 N ATOM 0 H ARG A 60 -11.852 -14.782 -1.003 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.973 -17.380 -0.048 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -14.979 -16.699 -1.190 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -14.389 -15.263 -0.377 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -13.121 -14.760 -2.662 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -14.214 -15.940 -3.359 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -16.193 -14.563 -2.463 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -15.056 -13.354 -1.901 1.00 0.00 H new ATOM 0 HE ARG A 60 -14.527 -13.366 -4.760 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -17.096 -14.611 -4.342 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -18.301 -13.344 -4.595 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -15.273 -12.210 -5.793 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -16.919 -11.571 -5.829 1.00 0.00 H new ATOM 757 N GLY A 61 -12.320 -18.719 -2.039 1.00 0.00 N ATOM 758 CA GLY A 61 -11.908 -19.535 -3.215 1.00 0.00 C ATOM 759 C GLY A 61 -10.406 -19.430 -3.406 1.00 0.00 C ATOM 760 O GLY A 61 -9.697 -20.404 -3.482 1.00 0.00 O ATOM 0 H GLY A 61 -12.535 -19.254 -1.198 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.194 -20.576 -3.066 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -12.424 -19.188 -4.110 1.00 0.00 H new ATOM 764 N ALA A 62 -9.915 -18.249 -3.466 1.00 0.00 N ATOM 765 CA ALA A 62 -8.452 -18.050 -3.625 1.00 0.00 C ATOM 766 C ALA A 62 -7.748 -18.746 -2.469 1.00 0.00 C ATOM 767 O ALA A 62 -6.549 -18.858 -2.429 1.00 0.00 O ATOM 768 CB ALA A 62 -8.152 -16.492 -3.588 1.00 0.00 C ATOM 0 H ALA A 62 -10.463 -17.391 -3.412 1.00 0.00 H new ATOM 0 HA ALA A 62 -8.098 -18.464 -4.569 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -7.081 -16.325 -3.703 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.686 -15.999 -4.401 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -8.483 -16.080 -2.634 1.00 0.00 H new ATOM 774 N SER A 63 -8.501 -19.215 -1.535 1.00 0.00 N ATOM 775 CA SER A 63 -7.899 -19.919 -0.373 1.00 0.00 C ATOM 776 C SER A 63 -8.597 -21.272 -0.242 1.00 0.00 C ATOM 777 O SER A 63 -8.501 -21.947 0.753 1.00 0.00 O ATOM 778 CB SER A 63 -8.101 -19.084 0.898 1.00 0.00 C ATOM 779 OG SER A 63 -7.953 -19.922 2.036 1.00 0.00 O ATOM 0 H SER A 63 -9.518 -19.144 -1.519 1.00 0.00 H new ATOM 0 HA SER A 63 -6.828 -20.062 -0.516 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.375 -18.272 0.933 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.091 -18.627 0.894 1.00 0.00 H new ATOM 0 HG SER A 63 -7.701 -20.824 1.747 1.00 0.00 H new ATOM 785 N GLY A 64 -9.309 -21.669 -1.260 1.00 0.00 N ATOM 786 CA GLY A 64 -10.047 -22.977 -1.215 1.00 0.00 C ATOM 787 C GLY A 64 -11.324 -22.803 -0.397 1.00 0.00 C ATOM 788 O GLY A 64 -11.662 -23.610 0.443 1.00 0.00 O ATOM 0 H GLY A 64 -9.416 -21.145 -2.129 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.290 -23.307 -2.225 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.418 -23.748 -0.771 1.00 0.00 H new ATOM 792 N MET A 65 -12.041 -21.757 -0.657 1.00 0.00 N ATOM 793 CA MET A 65 -13.314 -21.488 0.084 1.00 0.00 C ATOM 794 C MET A 65 -13.053 -21.446 1.588 1.00 0.00 C ATOM 795 O MET A 65 -13.175 -22.419 2.292 1.00 0.00 O ATOM 796 CB MET A 65 -14.339 -22.583 -0.221 1.00 0.00 C ATOM 797 CG MET A 65 -14.691 -22.565 -1.708 1.00 0.00 C ATOM 798 SD MET A 65 -16.047 -23.737 -2.032 1.00 0.00 S ATOM 799 CE MET A 65 -15.125 -25.269 -1.479 1.00 0.00 C ATOM 0 H MET A 65 -11.803 -21.059 -1.362 1.00 0.00 H new ATOM 0 HA MET A 65 -13.705 -20.523 -0.239 1.00 0.00 H new ATOM 0 HB2 MET A 65 -13.936 -23.558 0.055 1.00 0.00 H new ATOM 0 HB3 MET A 65 -15.238 -22.429 0.376 1.00 0.00 H new ATOM 0 HG2 MET A 65 -14.986 -21.560 -2.010 1.00 0.00 H new ATOM 0 HG3 MET A 65 -13.817 -22.832 -2.302 1.00 0.00 H new ATOM 0 HE1 MET A 65 -15.534 -26.143 -1.986 1.00 0.00 H new ATOM 0 HE2 MET A 65 -14.069 -25.167 -1.727 1.00 0.00 H new ATOM 0 HE3 MET A 65 -15.235 -25.390 -0.401 1.00 0.00 H new ATOM 809 N SER A 66 -12.707 -20.305 2.081 1.00 0.00 N ATOM 810 CA SER A 66 -12.439 -20.151 3.541 1.00 0.00 C ATOM 811 C SER A 66 -12.339 -18.664 3.859 1.00 0.00 C ATOM 812 O SER A 66 -11.301 -18.056 3.761 1.00 0.00 O ATOM 813 CB SER A 66 -11.143 -20.870 3.917 1.00 0.00 C ATOM 814 OG SER A 66 -11.385 -22.265 4.025 1.00 0.00 O ATOM 0 H SER A 66 -12.594 -19.452 1.533 1.00 0.00 H new ATOM 0 HA SER A 66 -13.249 -20.595 4.119 1.00 0.00 H new ATOM 0 HB2 SER A 66 -10.379 -20.681 3.163 1.00 0.00 H new ATOM 0 HB3 SER A 66 -10.762 -20.483 4.862 1.00 0.00 H new ATOM 0 HG SER A 66 -12.269 -22.473 3.656 1.00 0.00 H new ATOM 820 N LYS A 67 -13.428 -18.072 4.234 1.00 0.00 N ATOM 821 CA LYS A 67 -13.413 -16.617 4.564 1.00 0.00 C ATOM 822 C LYS A 67 -14.050 -16.424 5.940 1.00 0.00 C ATOM 823 O LYS A 67 -15.165 -16.817 6.195 1.00 0.00 O ATOM 824 CB LYS A 67 -14.169 -15.827 3.483 1.00 0.00 C ATOM 825 CG LYS A 67 -14.742 -14.536 4.069 1.00 0.00 C ATOM 826 CD LYS A 67 -15.145 -13.604 2.925 1.00 0.00 C ATOM 827 CE LYS A 67 -13.953 -12.743 2.520 1.00 0.00 C ATOM 828 NZ LYS A 67 -14.393 -11.798 1.356 1.00 0.00 N ATOM 0 H LYS A 67 -14.335 -18.529 4.329 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.389 -16.243 4.591 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.496 -15.592 2.658 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -14.974 -16.437 3.074 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -15.606 -14.758 4.695 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -14.002 -14.051 4.706 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -15.491 -14.188 2.072 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -15.976 -12.970 3.235 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -13.603 -12.158 3.370 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -13.122 -13.373 2.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -13.589 -11.204 1.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -14.709 -12.369 0.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -15.174 -11.192 1.678 1.00 0.00 H new ATOM 842 N ASN A 68 -13.310 -15.851 6.836 1.00 0.00 N ATOM 843 CA ASN A 68 -13.805 -15.633 8.232 1.00 0.00 C ATOM 844 C ASN A 68 -15.027 -14.746 8.214 1.00 0.00 C ATOM 845 O ASN A 68 -15.375 -14.152 7.226 1.00 0.00 O ATOM 846 CB ASN A 68 -12.708 -14.967 9.046 1.00 0.00 C ATOM 847 CG ASN A 68 -13.000 -15.071 10.535 1.00 0.00 C ATOM 848 OD1 ASN A 68 -13.407 -14.121 11.166 1.00 0.00 O ATOM 849 ND2 ASN A 68 -12.795 -16.200 11.129 1.00 0.00 N ATOM 0 H ASN A 68 -12.362 -15.515 6.665 1.00 0.00 H new ATOM 0 HA ASN A 68 -14.070 -16.592 8.677 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -11.749 -15.437 8.825 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -12.623 -13.919 8.760 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -12.976 -16.291 12.129 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -12.452 -17.001 10.598 1.00 0.00 H new ATOM 856 N THR A 69 -15.684 -14.664 9.310 1.00 0.00 N ATOM 857 CA THR A 69 -16.903 -13.827 9.381 1.00 0.00 C ATOM 858 C THR A 69 -17.226 -13.500 10.843 1.00 0.00 C ATOM 859 O THR A 69 -18.333 -13.675 11.293 1.00 0.00 O ATOM 860 CB THR A 69 -18.035 -14.613 8.729 1.00 0.00 C ATOM 861 OG1 THR A 69 -19.249 -14.036 9.120 1.00 0.00 O ATOM 862 CG2 THR A 69 -17.998 -16.126 9.196 1.00 0.00 C ATOM 0 H THR A 69 -15.435 -15.142 10.176 1.00 0.00 H new ATOM 0 HA THR A 69 -16.761 -12.881 8.859 1.00 0.00 H new ATOM 0 HB THR A 69 -17.925 -14.583 7.645 1.00 0.00 H new ATOM 0 HG1 THR A 69 -19.414 -14.231 10.066 1.00 0.00 H new ATOM 0 HG21 THR A 69 -18.813 -16.673 8.722 1.00 0.00 H new ATOM 0 HG22 THR A 69 -17.046 -16.572 8.909 1.00 0.00 H new ATOM 0 HG23 THR A 69 -18.110 -16.175 10.279 1.00 0.00 H new ATOM 870 N ASP A 70 -16.289 -13.008 11.585 1.00 0.00 N ATOM 871 CA ASP A 70 -16.578 -12.655 13.015 1.00 0.00 C ATOM 872 C ASP A 70 -16.142 -11.211 13.249 1.00 0.00 C ATOM 873 O ASP A 70 -16.830 -10.425 13.856 1.00 0.00 O ATOM 874 CB ASP A 70 -15.785 -13.560 13.972 1.00 0.00 C ATOM 875 CG ASP A 70 -16.245 -15.024 13.872 1.00 0.00 C ATOM 876 OD1 ASP A 70 -17.295 -15.260 13.306 1.00 0.00 O ATOM 877 OD2 ASP A 70 -15.524 -15.885 14.333 1.00 0.00 O ATOM 0 H ASP A 70 -15.333 -12.830 11.277 1.00 0.00 H new ATOM 0 HA ASP A 70 -17.643 -12.786 13.205 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -14.722 -13.495 13.740 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -15.910 -13.207 14.996 1.00 0.00 H new ATOM 882 N PHE A 71 -14.989 -10.880 12.766 1.00 0.00 N ATOM 883 CA PHE A 71 -14.444 -9.499 12.922 1.00 0.00 C ATOM 884 C PHE A 71 -15.431 -8.508 12.312 1.00 0.00 C ATOM 885 O PHE A 71 -15.433 -7.333 12.613 1.00 0.00 O ATOM 886 CB PHE A 71 -13.134 -9.410 12.138 1.00 0.00 C ATOM 887 CG PHE A 71 -12.061 -10.305 12.721 1.00 0.00 C ATOM 888 CD1 PHE A 71 -11.267 -9.827 13.779 1.00 0.00 C ATOM 889 CD2 PHE A 71 -11.850 -11.603 12.216 1.00 0.00 C ATOM 890 CE1 PHE A 71 -10.248 -10.623 14.308 1.00 0.00 C ATOM 891 CE2 PHE A 71 -10.829 -12.400 12.751 1.00 0.00 C ATOM 892 CZ PHE A 71 -10.039 -11.919 13.809 1.00 0.00 C ATOM 0 H PHE A 71 -14.380 -11.519 12.255 1.00 0.00 H new ATOM 0 HA PHE A 71 -14.283 -9.274 13.976 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -13.314 -9.689 11.100 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -12.783 -8.378 12.135 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -11.446 -8.842 14.184 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -12.473 -11.983 11.419 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -9.621 -10.242 15.101 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -10.649 -13.386 12.349 1.00 0.00 H new ATOM 0 HZ PHE A 71 -9.271 -12.546 14.238 1.00 0.00 H new ATOM 902 N LEU A 72 -16.258 -8.984 11.429 1.00 0.00 N ATOM 903 CA LEU A 72 -17.230 -8.082 10.765 1.00 0.00 C ATOM 904 C LEU A 72 -17.897 -7.212 11.830 1.00 0.00 C ATOM 905 O LEU A 72 -18.000 -6.017 11.707 1.00 0.00 O ATOM 906 CB LEU A 72 -18.271 -8.895 9.957 1.00 0.00 C ATOM 907 CG LEU A 72 -17.608 -10.015 9.133 1.00 0.00 C ATOM 908 CD1 LEU A 72 -18.463 -10.353 7.844 1.00 0.00 C ATOM 909 CD2 LEU A 72 -16.159 -9.519 8.660 1.00 0.00 C ATOM 0 H LEU A 72 -16.302 -9.961 11.139 1.00 0.00 H new ATOM 0 HA LEU A 72 -16.712 -7.438 10.054 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -19.002 -9.330 10.639 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -18.816 -8.227 9.290 1.00 0.00 H new ATOM 0 HG LEU A 72 -17.536 -10.907 9.755 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -17.973 -11.147 7.280 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -19.458 -10.682 8.143 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -18.547 -9.463 7.220 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -15.679 -10.304 8.075 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -16.263 -8.623 8.048 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -15.549 -9.293 9.534 1.00 0.00 H new ATOM 921 N GLU A 73 -18.304 -7.809 12.910 1.00 0.00 N ATOM 922 CA GLU A 73 -18.904 -7.020 14.029 1.00 0.00 C ATOM 923 C GLU A 73 -17.891 -5.979 14.498 1.00 0.00 C ATOM 924 O GLU A 73 -18.235 -4.874 14.846 1.00 0.00 O ATOM 925 CB GLU A 73 -19.258 -7.962 15.190 1.00 0.00 C ATOM 926 CG GLU A 73 -17.995 -8.346 15.979 1.00 0.00 C ATOM 927 CD GLU A 73 -18.300 -9.547 16.888 1.00 0.00 C ATOM 928 OE1 GLU A 73 -19.457 -9.894 17.015 1.00 0.00 O ATOM 929 OE2 GLU A 73 -17.368 -10.101 17.437 1.00 0.00 O ATOM 0 H GLU A 73 -18.249 -8.815 13.072 1.00 0.00 H new ATOM 0 HA GLU A 73 -19.811 -6.521 13.687 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -19.974 -7.477 15.853 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -19.739 -8.860 14.803 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -17.186 -8.593 15.292 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -17.657 -7.500 16.578 1.00 0.00 H new ATOM 936 N GLN A 74 -16.637 -6.318 14.502 1.00 0.00 N ATOM 937 CA GLN A 74 -15.589 -5.337 14.941 1.00 0.00 C ATOM 938 C GLN A 74 -15.266 -4.414 13.774 1.00 0.00 C ATOM 939 O GLN A 74 -15.258 -3.212 13.898 1.00 0.00 O ATOM 940 CB GLN A 74 -14.323 -6.088 15.367 1.00 0.00 C ATOM 941 CG GLN A 74 -14.512 -6.630 16.782 1.00 0.00 C ATOM 942 CD GLN A 74 -13.264 -7.355 17.273 1.00 0.00 C ATOM 943 OE1 GLN A 74 -12.327 -6.753 17.749 1.00 0.00 O ATOM 944 NE2 GLN A 74 -13.218 -8.647 17.169 1.00 0.00 N ATOM 0 H GLN A 74 -16.282 -7.232 14.221 1.00 0.00 H new ATOM 0 HA GLN A 74 -15.957 -4.755 15.786 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -14.121 -6.906 14.675 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -13.461 -5.421 15.332 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -14.747 -5.809 17.459 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -15.362 -7.312 16.801 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -14.007 -9.155 16.768 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -12.393 -9.155 17.488 1.00 0.00 H new ATOM 953 N VAL A 75 -15.014 -4.965 12.625 1.00 0.00 N ATOM 954 CA VAL A 75 -14.700 -4.108 11.445 1.00 0.00 C ATOM 955 C VAL A 75 -15.924 -3.278 11.106 1.00 0.00 C ATOM 956 O VAL A 75 -15.840 -2.100 10.848 1.00 0.00 O ATOM 957 CB VAL A 75 -14.325 -4.974 10.232 1.00 0.00 C ATOM 958 CG1 VAL A 75 -14.285 -4.058 8.934 1.00 0.00 C ATOM 959 CG2 VAL A 75 -12.878 -5.614 10.432 1.00 0.00 C ATOM 0 H VAL A 75 -15.011 -5.969 12.447 1.00 0.00 H new ATOM 0 HA VAL A 75 -13.856 -3.463 11.687 1.00 0.00 H new ATOM 0 HB VAL A 75 -15.065 -5.768 10.127 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -14.020 -4.665 8.068 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -15.265 -3.609 8.775 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -13.543 -3.271 9.067 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -12.627 -6.224 9.565 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -12.141 -4.819 10.542 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -12.876 -6.237 11.327 1.00 0.00 H new ATOM 969 N SER A 76 -17.070 -3.885 11.118 1.00 0.00 N ATOM 970 CA SER A 76 -18.322 -3.130 10.805 1.00 0.00 C ATOM 971 C SER A 76 -18.550 -2.106 11.914 1.00 0.00 C ATOM 972 O SER A 76 -19.259 -1.142 11.751 1.00 0.00 O ATOM 973 CB SER A 76 -19.522 -4.082 10.760 1.00 0.00 C ATOM 974 OG SER A 76 -20.658 -3.400 10.261 1.00 0.00 O ATOM 0 H SER A 76 -17.202 -4.874 11.331 1.00 0.00 H new ATOM 0 HA SER A 76 -18.220 -2.643 9.835 1.00 0.00 H new ATOM 0 HB2 SER A 76 -19.294 -4.939 10.127 1.00 0.00 H new ATOM 0 HB3 SER A 76 -19.728 -4.469 11.758 1.00 0.00 H new ATOM 0 HG SER A 76 -21.422 -4.014 10.233 1.00 0.00 H new ATOM 980 N SER A 77 -17.947 -2.306 13.048 1.00 0.00 N ATOM 981 CA SER A 77 -18.125 -1.336 14.179 1.00 0.00 C ATOM 982 C SER A 77 -17.808 0.070 13.689 1.00 0.00 C ATOM 983 O SER A 77 -18.560 0.996 13.884 1.00 0.00 O ATOM 984 CB SER A 77 -17.163 -1.678 15.325 1.00 0.00 C ATOM 985 OG SER A 77 -17.560 -1.005 16.507 1.00 0.00 O ATOM 0 H SER A 77 -17.336 -3.098 13.249 1.00 0.00 H new ATOM 0 HA SER A 77 -19.154 -1.395 14.534 1.00 0.00 H new ATOM 0 HB2 SER A 77 -17.155 -2.755 15.495 1.00 0.00 H new ATOM 0 HB3 SER A 77 -16.147 -1.390 15.056 1.00 0.00 H new ATOM 0 HG SER A 77 -16.943 -1.229 17.234 1.00 0.00 H new ATOM 991 N HIS A 78 -16.693 0.238 13.047 1.00 0.00 N ATOM 992 CA HIS A 78 -16.321 1.587 12.530 1.00 0.00 C ATOM 993 C HIS A 78 -14.862 1.541 12.082 1.00 0.00 C ATOM 994 O HIS A 78 -14.356 2.440 11.452 1.00 0.00 O ATOM 995 CB HIS A 78 -16.511 2.627 13.655 1.00 0.00 C ATOM 996 CG HIS A 78 -17.786 3.407 13.430 1.00 0.00 C ATOM 997 ND1 HIS A 78 -18.848 3.392 14.332 1.00 0.00 N ATOM 998 CD2 HIS A 78 -18.165 4.258 12.425 1.00 0.00 C ATOM 999 CE1 HIS A 78 -19.799 4.220 13.847 1.00 0.00 C ATOM 1000 NE2 HIS A 78 -19.438 4.772 12.694 1.00 0.00 N ATOM 0 H HIS A 78 -16.017 -0.501 12.855 1.00 0.00 H new ATOM 0 HA HIS A 78 -16.951 1.869 11.686 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -16.548 2.126 14.622 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -15.659 3.307 13.681 1.00 0.00 H new ATOM 0 HD1 HIS A 78 -18.898 2.855 15.198 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -17.570 4.496 11.556 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -20.741 4.411 14.339 1.00 0.00 H new ATOM 1009 N PHE A 79 -14.175 0.488 12.413 1.00 0.00 N ATOM 1010 CA PHE A 79 -12.733 0.377 12.021 1.00 0.00 C ATOM 1011 C PHE A 79 -12.590 -0.538 10.799 1.00 0.00 C ATOM 1012 O PHE A 79 -13.356 -1.453 10.584 1.00 0.00 O ATOM 1013 CB PHE A 79 -11.968 -0.238 13.184 1.00 0.00 C ATOM 1014 CG PHE A 79 -11.947 0.682 14.384 1.00 0.00 C ATOM 1015 CD1 PHE A 79 -10.948 1.667 14.475 1.00 0.00 C ATOM 1016 CD2 PHE A 79 -12.905 0.557 15.406 1.00 0.00 C ATOM 1017 CE1 PHE A 79 -10.887 2.503 15.590 1.00 0.00 C ATOM 1018 CE2 PHE A 79 -12.846 1.399 16.521 1.00 0.00 C ATOM 1019 CZ PHE A 79 -11.844 2.383 16.610 1.00 0.00 C ATOM 0 H PHE A 79 -14.543 -0.305 12.938 1.00 0.00 H new ATOM 0 HA PHE A 79 -12.342 1.365 11.777 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -12.426 -1.187 13.461 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -10.946 -0.456 12.874 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -10.226 1.777 13.679 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -13.684 -0.187 15.330 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -10.104 3.242 15.669 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -13.571 1.294 17.315 1.00 0.00 H new ATOM 0 HZ PHE A 79 -11.811 3.045 17.462 1.00 0.00 H new ATOM 1029 N GLY A 80 -11.600 -0.286 10.002 1.00 0.00 N ATOM 1030 CA GLY A 80 -11.363 -1.120 8.781 1.00 0.00 C ATOM 1031 C GLY A 80 -10.049 -1.887 8.905 1.00 0.00 C ATOM 1032 O GLY A 80 -9.072 -1.406 9.428 1.00 0.00 O ATOM 0 H GLY A 80 -10.930 0.471 10.139 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.188 -1.819 8.645 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -11.337 -0.483 7.897 1.00 0.00 H new ATOM 1036 N GLN A 81 -10.033 -3.086 8.418 1.00 0.00 N ATOM 1037 CA GLN A 81 -8.794 -3.918 8.485 1.00 0.00 C ATOM 1038 C GLN A 81 -7.593 -3.061 8.093 1.00 0.00 C ATOM 1039 O GLN A 81 -6.565 -3.095 8.721 1.00 0.00 O ATOM 1040 CB GLN A 81 -8.927 -5.103 7.513 1.00 0.00 C ATOM 1041 CG GLN A 81 -7.549 -5.468 6.955 1.00 0.00 C ATOM 1042 CD GLN A 81 -6.547 -5.713 8.081 1.00 0.00 C ATOM 1043 OE1 GLN A 81 -6.994 -6.032 9.257 1.00 0.00 O flip ATOM 1044 NE2 GLN A 81 -5.353 -5.619 7.896 1.00 0.00 N flip ATOM 0 H GLN A 81 -10.830 -3.538 7.970 1.00 0.00 H new ATOM 0 HA GLN A 81 -8.654 -4.296 9.498 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -9.361 -5.961 8.027 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -9.603 -4.844 6.698 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -7.629 -6.361 6.335 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -7.189 -4.665 6.312 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -4.998 -5.369 6.973 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -4.703 -5.790 8.663 1.00 0.00 H new ATOM 1053 N SER A 82 -7.720 -2.279 7.072 1.00 0.00 N ATOM 1054 CA SER A 82 -6.583 -1.405 6.650 1.00 0.00 C ATOM 1055 C SER A 82 -7.070 0.048 6.672 1.00 0.00 C ATOM 1056 O SER A 82 -6.548 0.907 6.001 1.00 0.00 O ATOM 1057 CB SER A 82 -6.136 -1.791 5.235 1.00 0.00 C ATOM 1058 OG SER A 82 -6.845 -2.946 4.811 1.00 0.00 O ATOM 0 H SER A 82 -8.562 -2.200 6.502 1.00 0.00 H new ATOM 0 HA SER A 82 -5.735 -1.525 7.325 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.320 -0.966 4.547 1.00 0.00 H new ATOM 0 HB3 SER A 82 -5.063 -1.985 5.221 1.00 0.00 H new ATOM 0 HG SER A 82 -6.212 -3.610 4.466 1.00 0.00 H new ATOM 1064 N ASP A 83 -8.079 0.315 7.457 1.00 0.00 N ATOM 1065 CA ASP A 83 -8.645 1.708 7.547 1.00 0.00 C ATOM 1066 C ASP A 83 -7.514 2.715 7.406 1.00 0.00 C ATOM 1067 O ASP A 83 -6.599 2.757 8.194 1.00 0.00 O ATOM 1068 CB ASP A 83 -9.327 1.889 8.906 1.00 0.00 C ATOM 1069 CG ASP A 83 -9.678 3.363 9.154 1.00 0.00 C ATOM 1070 OD1 ASP A 83 -9.614 4.134 8.217 1.00 0.00 O ATOM 1071 OD2 ASP A 83 -9.984 3.700 10.281 1.00 0.00 O ATOM 0 H ASP A 83 -8.545 -0.374 8.048 1.00 0.00 H new ATOM 0 HA ASP A 83 -9.374 1.864 6.752 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -10.233 1.284 8.946 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -8.669 1.530 9.698 1.00 0.00 H new ATOM 1076 N ASN A 84 -7.570 3.518 6.396 1.00 0.00 N ATOM 1077 CA ASN A 84 -6.508 4.553 6.185 1.00 0.00 C ATOM 1078 C ASN A 84 -5.192 3.870 5.891 1.00 0.00 C ATOM 1079 O ASN A 84 -4.227 4.014 6.600 1.00 0.00 O ATOM 1080 CB ASN A 84 -6.362 5.415 7.435 1.00 0.00 C ATOM 1081 CG ASN A 84 -5.626 6.703 7.096 1.00 0.00 C ATOM 1082 OD1 ASN A 84 -4.455 6.851 7.377 1.00 0.00 O ATOM 1083 ND2 ASN A 84 -6.272 7.652 6.507 1.00 0.00 N ATOM 0 H ASN A 84 -8.309 3.511 5.693 1.00 0.00 H new ATOM 0 HA ASN A 84 -6.790 5.187 5.345 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -7.345 5.645 7.845 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -5.817 4.867 8.203 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -5.798 8.526 6.278 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -7.256 7.528 6.270 1.00 0.00 H new ATOM 1090 N ILE A 85 -5.142 3.122 4.846 1.00 0.00 N ATOM 1091 CA ILE A 85 -3.876 2.437 4.497 1.00 0.00 C ATOM 1092 C ILE A 85 -3.794 2.260 2.991 1.00 0.00 C ATOM 1093 O ILE A 85 -4.676 2.643 2.259 1.00 0.00 O ATOM 1094 CB ILE A 85 -3.832 1.098 5.220 1.00 0.00 C ATOM 1095 CG1 ILE A 85 -3.713 1.361 6.715 1.00 0.00 C ATOM 1096 CG2 ILE A 85 -2.585 0.228 4.749 1.00 0.00 C ATOM 1097 CD1 ILE A 85 -3.362 -0.018 7.427 1.00 0.00 C ATOM 0 H ILE A 85 -5.922 2.950 4.211 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.017 3.031 4.810 1.00 0.00 H new ATOM 0 HB ILE A 85 -4.743 0.545 4.989 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.937 2.101 6.912 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.646 1.766 7.107 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.582 -0.722 5.283 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -2.656 0.041 3.677 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.663 0.768 4.963 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.270 0.140 8.502 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.155 -0.740 7.233 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.420 -0.400 7.035 1.00 0.00 H new ATOM 1109 N ILE A 86 -2.728 1.720 2.521 1.00 0.00 N ATOM 1110 CA ILE A 86 -2.602 1.478 1.061 1.00 0.00 C ATOM 1111 C ILE A 86 -2.635 -0.015 0.795 1.00 0.00 C ATOM 1112 O ILE A 86 -1.726 -0.743 1.106 1.00 0.00 O ATOM 1113 CB ILE A 86 -1.274 2.057 0.584 1.00 0.00 C ATOM 1114 CG1 ILE A 86 -1.238 3.569 0.899 1.00 0.00 C ATOM 1115 CG2 ILE A 86 -1.171 1.859 -1.004 1.00 0.00 C ATOM 1116 CD1 ILE A 86 0.169 4.165 0.415 1.00 0.00 C ATOM 0 H ILE A 86 -1.926 1.430 3.081 1.00 0.00 H new ATOM 0 HA ILE A 86 -3.425 1.954 0.528 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.446 1.554 1.085 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.058 4.079 0.393 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.370 3.735 1.968 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.226 2.268 -1.361 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.219 0.796 -1.242 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.998 2.378 -1.490 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.206 5.232 0.632 1.00 0.00 H new ATOM 0 HD12 ILE A 86 0.979 3.659 0.941 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.280 4.009 -0.658 1.00 0.00 H new ATOM 1128 N VAL A 87 -3.701 -0.475 0.238 1.00 0.00 N ATOM 1129 CA VAL A 87 -3.851 -1.933 0.004 1.00 0.00 C ATOM 1130 C VAL A 87 -3.891 -2.191 -1.502 1.00 0.00 C ATOM 1131 O VAL A 87 -4.005 -1.291 -2.303 1.00 0.00 O ATOM 1132 CB VAL A 87 -5.127 -2.420 0.708 1.00 0.00 C ATOM 1133 CG1 VAL A 87 -5.199 -4.009 0.732 1.00 0.00 C ATOM 1134 CG2 VAL A 87 -5.167 -1.913 2.202 1.00 0.00 C ATOM 0 H VAL A 87 -4.487 0.096 -0.071 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.008 -2.487 0.416 1.00 0.00 H new ATOM 0 HB VAL A 87 -5.972 -2.019 0.148 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.112 -4.324 1.236 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -5.199 -4.389 -0.290 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -4.335 -4.404 1.266 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -6.078 -2.269 2.683 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.300 -2.296 2.740 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.150 -0.823 2.217 1.00 0.00 H new ATOM 1144 N GLY A 88 -3.747 -3.418 -1.883 1.00 0.00 N ATOM 1145 CA GLY A 88 -3.770 -3.784 -3.333 1.00 0.00 C ATOM 1146 C GLY A 88 -4.342 -5.179 -3.517 1.00 0.00 C ATOM 1147 O GLY A 88 -4.097 -6.071 -2.739 1.00 0.00 O ATOM 0 H GLY A 88 -3.611 -4.204 -1.247 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -4.369 -3.062 -3.888 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -2.760 -3.741 -3.742 1.00 0.00 H new ATOM 1151 N CYS A 89 -5.102 -5.364 -4.549 1.00 0.00 N ATOM 1152 CA CYS A 89 -5.722 -6.698 -4.789 1.00 0.00 C ATOM 1153 C CYS A 89 -4.816 -7.518 -5.697 1.00 0.00 C ATOM 1154 O CYS A 89 -4.083 -7.002 -6.508 1.00 0.00 O ATOM 1155 CB CYS A 89 -7.147 -6.541 -5.376 1.00 0.00 C ATOM 1156 SG CYS A 89 -7.999 -8.137 -5.507 1.00 0.00 S ATOM 0 H CYS A 89 -5.325 -4.650 -5.243 1.00 0.00 H new ATOM 0 HA CYS A 89 -5.828 -7.230 -3.843 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -7.728 -5.869 -4.745 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -7.086 -6.079 -6.362 1.00 0.00 H new ATOM 0 HG CYS A 89 -9.280 -7.958 -5.373 1.00 0.00 H new ATOM 1162 N GLN A 90 -4.827 -8.801 -5.512 1.00 0.00 N ATOM 1163 CA GLN A 90 -3.955 -9.701 -6.326 1.00 0.00 C ATOM 1164 C GLN A 90 -3.955 -9.264 -7.782 1.00 0.00 C ATOM 1165 O GLN A 90 -2.972 -9.354 -8.477 1.00 0.00 O ATOM 1166 CB GLN A 90 -4.442 -11.150 -6.197 1.00 0.00 C ATOM 1167 CG GLN A 90 -3.370 -12.115 -6.708 1.00 0.00 C ATOM 1168 CD GLN A 90 -3.819 -13.565 -6.548 1.00 0.00 C ATOM 1169 OE1 GLN A 90 -4.843 -13.847 -5.968 1.00 0.00 O ATOM 1170 NE2 GLN A 90 -3.079 -14.505 -7.048 1.00 0.00 N ATOM 0 H GLN A 90 -5.409 -9.278 -4.823 1.00 0.00 H new ATOM 0 HA GLN A 90 -2.933 -9.639 -5.953 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -4.675 -11.372 -5.155 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -5.363 -11.284 -6.765 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -3.161 -11.909 -7.758 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -2.441 -11.956 -6.160 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -2.216 -14.269 -7.537 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -3.360 -15.481 -6.952 1.00 0.00 H new ATOM 1179 N SER A 91 -5.075 -8.808 -8.243 1.00 0.00 N ATOM 1180 CA SER A 91 -5.189 -8.364 -9.665 1.00 0.00 C ATOM 1181 C SER A 91 -5.882 -7.009 -9.719 1.00 0.00 C ATOM 1182 O SER A 91 -6.575 -6.603 -8.817 1.00 0.00 O ATOM 1183 CB SER A 91 -5.995 -9.404 -10.454 1.00 0.00 C ATOM 1184 OG SER A 91 -7.336 -9.418 -9.988 1.00 0.00 O ATOM 0 H SER A 91 -5.931 -8.720 -7.696 1.00 0.00 H new ATOM 0 HA SER A 91 -4.197 -8.270 -10.106 1.00 0.00 H new ATOM 0 HB2 SER A 91 -5.971 -9.167 -11.518 1.00 0.00 H new ATOM 0 HB3 SER A 91 -5.548 -10.391 -10.337 1.00 0.00 H new ATOM 0 HG SER A 91 -7.851 -10.081 -10.493 1.00 0.00 H new ATOM 1190 N GLY A 92 -5.691 -6.304 -10.788 1.00 0.00 N ATOM 1191 CA GLY A 92 -6.321 -4.962 -10.932 1.00 0.00 C ATOM 1192 C GLY A 92 -7.407 -5.013 -12.005 1.00 0.00 C ATOM 1193 O GLY A 92 -7.682 -6.034 -12.590 1.00 0.00 O ATOM 0 H GLY A 92 -5.120 -6.598 -11.580 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -6.751 -4.648 -9.981 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -5.566 -4.223 -11.200 1.00 0.00 H new ATOM 1197 N GLY A 93 -8.021 -3.904 -12.256 1.00 0.00 N ATOM 1198 CA GLY A 93 -9.095 -3.839 -13.290 1.00 0.00 C ATOM 1199 C GLY A 93 -10.302 -4.630 -12.802 1.00 0.00 C ATOM 1200 O GLY A 93 -11.320 -4.084 -12.444 1.00 0.00 O ATOM 0 H GLY A 93 -7.827 -3.020 -11.785 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -9.375 -2.802 -13.477 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -8.734 -4.247 -14.234 1.00 0.00 H new ATOM 1204 N ARG A 94 -10.194 -5.926 -12.793 1.00 0.00 N ATOM 1205 CA ARG A 94 -11.335 -6.777 -12.327 1.00 0.00 C ATOM 1206 C ARG A 94 -11.534 -6.557 -10.840 1.00 0.00 C ATOM 1207 O ARG A 94 -12.618 -6.674 -10.319 1.00 0.00 O ATOM 1208 CB ARG A 94 -11.041 -8.250 -12.579 1.00 0.00 C ATOM 1209 CG ARG A 94 -10.588 -8.357 -14.039 1.00 0.00 C ATOM 1210 CD ARG A 94 -11.701 -7.927 -14.963 1.00 0.00 C ATOM 1211 NE ARG A 94 -11.395 -8.401 -16.396 1.00 0.00 N ATOM 1212 CZ ARG A 94 -10.097 -8.441 -16.644 1.00 0.00 C ATOM 1213 NH1 ARG A 94 -9.683 -7.303 -16.620 1.00 0.00 N ATOM 1214 NH2 ARG A 94 -10.108 -9.002 -17.763 1.00 0.00 N ATOM 0 H ARG A 94 -9.364 -6.441 -13.088 1.00 0.00 H new ATOM 0 HA ARG A 94 -12.234 -6.500 -12.877 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -10.265 -8.612 -11.904 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -11.928 -8.859 -12.402 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -9.709 -7.733 -14.201 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -10.296 -9.383 -14.262 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -12.649 -8.345 -14.626 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -11.806 -6.842 -14.943 1.00 0.00 H new ATOM 0 HE ARG A 94 -12.112 -8.655 -17.076 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -10.323 -6.531 -16.430 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -8.695 -7.116 -16.789 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -10.994 -9.273 -18.189 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -9.231 -9.188 -18.249 1.00 0.00 H new ATOM 1228 N SER A 95 -10.487 -6.245 -10.146 1.00 0.00 N ATOM 1229 CA SER A 95 -10.602 -6.029 -8.674 1.00 0.00 C ATOM 1230 C SER A 95 -11.039 -4.599 -8.410 1.00 0.00 C ATOM 1231 O SER A 95 -11.690 -4.302 -7.436 1.00 0.00 O ATOM 1232 CB SER A 95 -9.246 -6.271 -7.999 1.00 0.00 C ATOM 1233 OG SER A 95 -8.374 -5.183 -8.282 1.00 0.00 O ATOM 0 H SER A 95 -9.549 -6.128 -10.529 1.00 0.00 H new ATOM 0 HA SER A 95 -11.336 -6.726 -8.268 1.00 0.00 H new ATOM 0 HB2 SER A 95 -9.377 -6.375 -6.922 1.00 0.00 H new ATOM 0 HB3 SER A 95 -8.810 -7.203 -8.358 1.00 0.00 H new ATOM 0 HG SER A 95 -7.457 -5.515 -8.375 1.00 0.00 H new ATOM 1239 N ILE A 96 -10.693 -3.710 -9.275 1.00 0.00 N ATOM 1240 CA ILE A 96 -11.078 -2.286 -9.080 1.00 0.00 C ATOM 1241 C ILE A 96 -12.593 -2.203 -8.918 1.00 0.00 C ATOM 1242 O ILE A 96 -13.104 -1.605 -7.998 1.00 0.00 O ATOM 1243 CB ILE A 96 -10.610 -1.490 -10.305 1.00 0.00 C ATOM 1244 CG1 ILE A 96 -9.912 -0.213 -9.856 1.00 0.00 C ATOM 1245 CG2 ILE A 96 -11.841 -1.107 -11.225 1.00 0.00 C ATOM 1246 CD1 ILE A 96 -10.929 0.578 -8.920 1.00 0.00 C ATOM 0 H ILE A 96 -10.155 -3.901 -10.120 1.00 0.00 H new ATOM 0 HA ILE A 96 -10.613 -1.870 -8.187 1.00 0.00 H new ATOM 0 HB ILE A 96 -9.918 -2.112 -10.873 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -8.994 -0.446 -9.316 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -9.630 0.394 -10.716 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -11.488 -0.543 -12.088 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -12.339 -2.016 -11.564 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -12.544 -0.499 -10.657 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -10.464 1.502 -8.577 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -11.833 0.813 -9.482 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -11.187 -0.039 -8.060 1.00 0.00 H new ATOM 1258 N LYS A 97 -13.326 -2.831 -9.788 1.00 0.00 N ATOM 1259 CA LYS A 97 -14.820 -2.809 -9.667 1.00 0.00 C ATOM 1260 C LYS A 97 -15.219 -3.658 -8.458 1.00 0.00 C ATOM 1261 O LYS A 97 -16.087 -3.313 -7.691 1.00 0.00 O ATOM 1262 CB LYS A 97 -15.445 -3.375 -10.948 1.00 0.00 C ATOM 1263 CG LYS A 97 -14.608 -4.560 -11.424 1.00 0.00 C ATOM 1264 CD LYS A 97 -15.292 -5.253 -12.603 1.00 0.00 C ATOM 1265 CE LYS A 97 -16.236 -6.324 -12.082 1.00 0.00 C ATOM 1266 NZ LYS A 97 -15.402 -7.412 -11.335 1.00 0.00 N ATOM 0 H LYS A 97 -12.963 -3.361 -10.580 1.00 0.00 H new ATOM 0 HA LYS A 97 -15.177 -1.788 -9.530 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -16.471 -3.690 -10.760 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -15.484 -2.607 -11.720 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -13.616 -4.218 -11.720 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -14.470 -5.268 -10.607 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -15.844 -4.524 -13.197 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -14.545 -5.699 -13.260 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -16.971 -5.884 -11.408 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -16.789 -6.773 -12.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -15.513 -8.326 -11.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -14.398 -7.140 -11.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -15.739 -7.495 -10.355 1.00 0.00 H new ATOM 1280 N ALA A 98 -14.584 -4.765 -8.274 1.00 0.00 N ATOM 1281 CA ALA A 98 -14.918 -5.633 -7.109 1.00 0.00 C ATOM 1282 C ALA A 98 -14.568 -4.899 -5.816 1.00 0.00 C ATOM 1283 O ALA A 98 -15.287 -4.923 -4.843 1.00 0.00 O ATOM 1284 CB ALA A 98 -14.070 -6.973 -7.226 1.00 0.00 C ATOM 0 H ALA A 98 -13.842 -5.117 -8.878 1.00 0.00 H new ATOM 0 HA ALA A 98 -15.982 -5.870 -7.100 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -14.299 -7.624 -6.382 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -14.322 -7.483 -8.156 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -13.007 -6.732 -7.220 1.00 0.00 H new ATOM 1290 N THR A 99 -13.466 -4.236 -5.814 1.00 0.00 N ATOM 1291 CA THR A 99 -13.026 -3.477 -4.616 1.00 0.00 C ATOM 1292 C THR A 99 -14.034 -2.348 -4.351 1.00 0.00 C ATOM 1293 O THR A 99 -14.601 -2.218 -3.292 1.00 0.00 O ATOM 1294 CB THR A 99 -11.647 -2.907 -4.949 1.00 0.00 C ATOM 1295 OG1 THR A 99 -11.726 -2.204 -6.174 1.00 0.00 O ATOM 1296 CG2 THR A 99 -10.586 -4.082 -5.084 1.00 0.00 C ATOM 0 H THR A 99 -12.829 -4.181 -6.609 1.00 0.00 H new ATOM 0 HA THR A 99 -12.973 -4.101 -3.724 1.00 0.00 H new ATOM 0 HB THR A 99 -11.331 -2.236 -4.150 1.00 0.00 H new ATOM 0 HG1 THR A 99 -12.273 -2.713 -6.808 1.00 0.00 H new ATOM 0 HG21 THR A 99 -9.608 -3.664 -5.321 1.00 0.00 H new ATOM 0 HG22 THR A 99 -10.528 -4.630 -4.143 1.00 0.00 H new ATOM 0 HG23 THR A 99 -10.893 -4.760 -5.880 1.00 0.00 H new ATOM 1304 N THR A 100 -14.266 -1.547 -5.331 1.00 0.00 N ATOM 1305 CA THR A 100 -15.218 -0.416 -5.191 1.00 0.00 C ATOM 1306 C THR A 100 -16.501 -0.923 -4.512 1.00 0.00 C ATOM 1307 O THR A 100 -17.084 -0.266 -3.680 1.00 0.00 O ATOM 1308 CB THR A 100 -15.473 0.110 -6.602 1.00 0.00 C ATOM 1309 OG1 THR A 100 -14.216 0.392 -7.181 1.00 0.00 O ATOM 1310 CG2 THR A 100 -16.352 1.432 -6.573 1.00 0.00 C ATOM 0 H THR A 100 -13.829 -1.624 -6.249 1.00 0.00 H new ATOM 0 HA THR A 100 -14.829 0.390 -4.569 1.00 0.00 H new ATOM 0 HB THR A 100 -16.019 -0.636 -7.179 1.00 0.00 H new ATOM 0 HG1 THR A 100 -13.987 -0.311 -7.825 1.00 0.00 H new ATOM 0 HG21 THR A 100 -16.516 1.782 -7.592 1.00 0.00 H new ATOM 0 HG22 THR A 100 -17.312 1.220 -6.103 1.00 0.00 H new ATOM 0 HG23 THR A 100 -15.832 2.203 -6.004 1.00 0.00 H new ATOM 1318 N ASP A 101 -16.915 -2.111 -4.824 1.00 0.00 N ATOM 1319 CA ASP A 101 -18.151 -2.687 -4.196 1.00 0.00 C ATOM 1320 C ASP A 101 -17.746 -3.368 -2.891 1.00 0.00 C ATOM 1321 O ASP A 101 -18.327 -3.155 -1.847 1.00 0.00 O ATOM 1322 CB ASP A 101 -18.726 -3.762 -5.125 1.00 0.00 C ATOM 1323 CG ASP A 101 -19.249 -3.141 -6.425 1.00 0.00 C ATOM 1324 OD1 ASP A 101 -19.395 -1.935 -6.465 1.00 0.00 O ATOM 1325 OD2 ASP A 101 -19.516 -3.882 -7.349 1.00 0.00 O ATOM 0 H ASP A 101 -16.451 -2.724 -5.495 1.00 0.00 H new ATOM 0 HA ASP A 101 -18.885 -1.901 -4.021 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -17.957 -4.500 -5.354 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -19.534 -4.291 -4.619 1.00 0.00 H new ATOM 1330 N LEU A 102 -16.756 -4.208 -2.954 1.00 0.00 N ATOM 1331 CA LEU A 102 -16.322 -4.947 -1.738 1.00 0.00 C ATOM 1332 C LEU A 102 -15.861 -3.943 -0.689 1.00 0.00 C ATOM 1333 O LEU A 102 -16.227 -4.005 0.460 1.00 0.00 O ATOM 1334 CB LEU A 102 -15.206 -5.942 -2.126 1.00 0.00 C ATOM 1335 CG LEU A 102 -14.576 -6.618 -0.897 1.00 0.00 C ATOM 1336 CD1 LEU A 102 -13.603 -5.600 -0.151 1.00 0.00 C ATOM 1337 CD2 LEU A 102 -15.759 -7.011 0.116 1.00 0.00 C ATOM 0 H LEU A 102 -16.225 -4.417 -3.799 1.00 0.00 H new ATOM 0 HA LEU A 102 -17.145 -5.521 -1.312 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -15.616 -6.705 -2.788 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -14.432 -5.417 -2.686 1.00 0.00 H new ATOM 0 HG LEU A 102 -14.012 -7.496 -1.212 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -13.162 -6.089 0.718 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -12.812 -5.288 -0.832 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -14.169 -4.726 0.172 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -15.338 -7.493 0.998 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -16.295 -6.111 0.416 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -16.448 -7.696 -0.378 1.00 0.00 H new ATOM 1349 N LEU A 103 -15.101 -2.980 -1.097 1.00 0.00 N ATOM 1350 CA LEU A 103 -14.630 -1.934 -0.146 1.00 0.00 C ATOM 1351 C LEU A 103 -15.843 -1.167 0.392 1.00 0.00 C ATOM 1352 O LEU A 103 -15.925 -0.837 1.552 1.00 0.00 O ATOM 1353 CB LEU A 103 -13.658 -0.999 -0.899 1.00 0.00 C ATOM 1354 CG LEU A 103 -12.398 -1.743 -1.363 1.00 0.00 C ATOM 1355 CD1 LEU A 103 -11.391 -0.709 -2.051 1.00 0.00 C ATOM 1356 CD2 LEU A 103 -11.665 -2.352 -0.085 1.00 0.00 C ATOM 0 H LEU A 103 -14.778 -2.865 -2.058 1.00 0.00 H new ATOM 0 HA LEU A 103 -14.107 -2.376 0.702 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -14.164 -0.567 -1.762 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -13.373 -0.171 -0.250 1.00 0.00 H new ATOM 0 HG LEU A 103 -12.679 -2.526 -2.067 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -10.496 -1.237 -2.381 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -11.876 -0.246 -2.910 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -11.113 0.062 -1.332 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -10.767 -2.884 -0.400 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -11.390 -1.546 0.595 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -12.336 -3.043 0.425 1.00 0.00 H new ATOM 1368 N HIS A 104 -16.809 -0.912 -0.439 1.00 0.00 N ATOM 1369 CA HIS A 104 -18.038 -0.193 0.026 1.00 0.00 C ATOM 1370 C HIS A 104 -18.697 -1.020 1.136 1.00 0.00 C ATOM 1371 O HIS A 104 -19.470 -0.536 1.929 1.00 0.00 O ATOM 1372 CB HIS A 104 -18.999 -0.035 -1.162 1.00 0.00 C ATOM 1373 CG HIS A 104 -18.559 1.113 -2.033 1.00 0.00 C ATOM 1374 ND1 HIS A 104 -17.423 1.877 -2.031 1.00 0.00 N flip ATOM 1375 CD2 HIS A 104 -19.363 1.627 -3.045 1.00 0.00 C flip ATOM 1376 CE1 HIS A 104 -17.516 2.858 -3.026 1.00 0.00 C flip ATOM 1377 NE2 HIS A 104 -18.697 2.661 -3.600 1.00 0.00 N flip ATOM 0 H HIS A 104 -16.807 -1.169 -1.426 1.00 0.00 H new ATOM 0 HA HIS A 104 -17.785 0.794 0.413 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -19.024 -0.956 -1.745 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -20.012 0.140 -0.800 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -20.339 1.266 -3.333 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -16.784 3.613 -3.273 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -19.058 3.225 -4.370 1.00 0.00 H new ATOM 1386 N ALA A 105 -18.362 -2.267 1.219 1.00 0.00 N ATOM 1387 CA ALA A 105 -18.944 -3.128 2.291 1.00 0.00 C ATOM 1388 C ALA A 105 -18.520 -2.563 3.643 1.00 0.00 C ATOM 1389 O ALA A 105 -19.102 -2.833 4.661 1.00 0.00 O ATOM 1390 CB ALA A 105 -18.387 -4.608 2.124 1.00 0.00 C ATOM 0 H ALA A 105 -17.708 -2.737 0.592 1.00 0.00 H new ATOM 0 HA ALA A 105 -20.032 -3.145 2.223 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -18.807 -5.245 2.903 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -18.672 -4.996 1.146 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -17.300 -4.599 2.209 1.00 0.00 H new ATOM 1396 N GLY A 106 -17.492 -1.768 3.649 1.00 0.00 N ATOM 1397 CA GLY A 106 -17.006 -1.156 4.923 1.00 0.00 C ATOM 1398 C GLY A 106 -15.510 -1.404 5.066 1.00 0.00 C ATOM 1399 O GLY A 106 -14.913 -1.135 6.083 1.00 0.00 O ATOM 0 H GLY A 106 -16.958 -1.510 2.819 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -17.210 -0.085 4.926 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -17.539 -1.584 5.772 1.00 0.00 H new ATOM 1403 N PHE A 107 -14.902 -1.924 4.055 1.00 0.00 N ATOM 1404 CA PHE A 107 -13.438 -2.200 4.119 1.00 0.00 C ATOM 1405 C PHE A 107 -12.684 -1.125 3.336 1.00 0.00 C ATOM 1406 O PHE A 107 -11.544 -1.286 2.972 1.00 0.00 O ATOM 1407 CB PHE A 107 -13.153 -3.565 3.493 1.00 0.00 C ATOM 1408 CG PHE A 107 -13.545 -4.687 4.437 1.00 0.00 C ATOM 1409 CD1 PHE A 107 -12.644 -5.157 5.415 1.00 0.00 C ATOM 1410 CD2 PHE A 107 -14.829 -5.255 4.345 1.00 0.00 C ATOM 1411 CE1 PHE A 107 -13.036 -6.166 6.303 1.00 0.00 C ATOM 1412 CE2 PHE A 107 -15.217 -6.264 5.230 1.00 0.00 C ATOM 1413 CZ PHE A 107 -14.319 -6.732 6.203 1.00 0.00 C ATOM 0 H PHE A 107 -15.351 -2.176 3.174 1.00 0.00 H new ATOM 0 HA PHE A 107 -13.112 -2.195 5.159 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -13.704 -3.663 2.557 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -12.094 -3.643 3.249 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -11.651 -4.738 5.479 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -15.517 -4.910 3.588 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -12.352 -6.510 7.065 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -16.210 -6.685 5.166 1.00 0.00 H new ATOM 0 HZ PHE A 107 -14.614 -7.526 6.874 1.00 0.00 H new ATOM 1423 N THR A 108 -13.314 -0.023 3.070 1.00 0.00 N ATOM 1424 CA THR A 108 -12.628 1.057 2.309 1.00 0.00 C ATOM 1425 C THR A 108 -11.695 1.841 3.235 1.00 0.00 C ATOM 1426 O THR A 108 -11.172 1.328 4.196 1.00 0.00 O ATOM 1427 CB THR A 108 -13.653 2.030 1.714 1.00 0.00 C ATOM 1428 OG1 THR A 108 -12.964 2.991 0.962 1.00 0.00 O ATOM 1429 CG2 THR A 108 -14.469 2.782 2.853 1.00 0.00 C ATOM 0 H THR A 108 -14.275 0.181 3.345 1.00 0.00 H new ATOM 0 HA THR A 108 -12.055 0.593 1.506 1.00 0.00 H new ATOM 0 HB THR A 108 -14.353 1.463 1.100 1.00 0.00 H new ATOM 0 HG1 THR A 108 -12.063 2.663 0.759 1.00 0.00 H new ATOM 0 HG21 THR A 108 -15.187 3.464 2.397 1.00 0.00 H new ATOM 0 HG22 THR A 108 -15.000 2.051 3.463 1.00 0.00 H new ATOM 0 HG23 THR A 108 -13.780 3.347 3.481 1.00 0.00 H new ATOM 1437 N GLY A 109 -11.491 3.086 2.940 1.00 0.00 N ATOM 1438 CA GLY A 109 -10.592 3.941 3.778 1.00 0.00 C ATOM 1439 C GLY A 109 -9.145 3.610 3.443 1.00 0.00 C ATOM 1440 O GLY A 109 -8.236 3.874 4.193 1.00 0.00 O ATOM 0 H GLY A 109 -11.912 3.563 2.143 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -10.791 4.996 3.589 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -10.784 3.765 4.837 1.00 0.00 H new ATOM 1444 N VAL A 110 -8.927 3.015 2.316 1.00 0.00 N ATOM 1445 CA VAL A 110 -7.544 2.634 1.927 1.00 0.00 C ATOM 1446 C VAL A 110 -7.382 2.742 0.416 1.00 0.00 C ATOM 1447 O VAL A 110 -8.333 2.866 -0.312 1.00 0.00 O ATOM 1448 CB VAL A 110 -7.300 1.205 2.396 1.00 0.00 C ATOM 1449 CG1 VAL A 110 -8.441 0.743 3.414 1.00 0.00 C ATOM 1450 CG2 VAL A 110 -7.354 0.252 1.127 1.00 0.00 C ATOM 0 H VAL A 110 -9.650 2.772 1.638 1.00 0.00 H new ATOM 0 HA VAL A 110 -6.817 3.302 2.389 1.00 0.00 H new ATOM 0 HB VAL A 110 -6.333 1.153 2.896 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -8.248 -0.280 3.737 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -8.444 1.403 4.282 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -9.411 0.791 2.919 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -7.182 -0.778 1.438 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -8.333 0.330 0.655 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -6.584 0.550 0.415 1.00 0.00 H new ATOM 1460 N LYS A 111 -6.181 2.702 -0.053 1.00 0.00 N ATOM 1461 CA LYS A 111 -5.962 2.818 -1.517 1.00 0.00 C ATOM 1462 C LYS A 111 -5.791 1.415 -2.100 1.00 0.00 C ATOM 1463 O LYS A 111 -5.261 0.520 -1.482 1.00 0.00 O ATOM 1464 CB LYS A 111 -4.719 3.687 -1.776 1.00 0.00 C ATOM 1465 CG LYS A 111 -4.929 5.060 -1.125 1.00 0.00 C ATOM 1466 CD LYS A 111 -3.779 5.998 -1.525 1.00 0.00 C ATOM 1467 CE LYS A 111 -3.908 7.339 -0.788 1.00 0.00 C ATOM 1468 NZ LYS A 111 -2.956 8.377 -1.469 1.00 0.00 N ATOM 0 H LYS A 111 -5.336 2.594 0.509 1.00 0.00 H new ATOM 0 HA LYS A 111 -6.816 3.294 -1.999 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -3.831 3.207 -1.365 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -4.554 3.799 -2.848 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -5.883 5.482 -1.441 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -4.969 4.958 -0.041 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -2.822 5.534 -1.286 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -3.793 6.164 -2.602 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -4.939 7.692 -0.822 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -3.647 7.219 0.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -3.033 9.292 -0.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -1.975 8.036 -1.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -3.227 8.494 -2.466 1.00 0.00 H new ATOM 1482 N ASP A 112 -6.263 1.225 -3.292 1.00 0.00 N ATOM 1483 CA ASP A 112 -6.167 -0.113 -3.945 1.00 0.00 C ATOM 1484 C ASP A 112 -4.998 -0.099 -4.912 1.00 0.00 C ATOM 1485 O ASP A 112 -5.027 0.544 -5.933 1.00 0.00 O ATOM 1486 CB ASP A 112 -7.447 -0.444 -4.735 1.00 0.00 C ATOM 1487 CG ASP A 112 -7.440 -1.896 -5.238 1.00 0.00 C ATOM 1488 OD1 ASP A 112 -6.628 -2.669 -4.772 1.00 0.00 O ATOM 1489 OD2 ASP A 112 -8.231 -2.199 -6.111 1.00 0.00 O ATOM 0 H ASP A 112 -6.718 1.945 -3.854 1.00 0.00 H new ATOM 0 HA ASP A 112 -6.031 -0.866 -3.169 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -8.319 -0.282 -4.101 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -7.538 0.235 -5.583 1.00 0.00 H new ATOM 1494 N ILE A 113 -3.971 -0.796 -4.595 1.00 0.00 N ATOM 1495 CA ILE A 113 -2.786 -0.827 -5.481 1.00 0.00 C ATOM 1496 C ILE A 113 -2.853 -2.032 -6.411 1.00 0.00 C ATOM 1497 O ILE A 113 -3.239 -3.110 -6.029 1.00 0.00 O ATOM 1498 CB ILE A 113 -1.533 -0.908 -4.625 1.00 0.00 C ATOM 1499 CG1 ILE A 113 -1.607 0.177 -3.541 1.00 0.00 C ATOM 1500 CG2 ILE A 113 -0.281 -0.646 -5.578 1.00 0.00 C ATOM 1501 CD1 ILE A 113 -0.667 1.412 -3.930 1.00 0.00 C ATOM 0 H ILE A 113 -3.891 -1.358 -3.748 1.00 0.00 H new ATOM 0 HA ILE A 113 -2.764 0.078 -6.088 1.00 0.00 H new ATOM 0 HB ILE A 113 -1.440 -1.882 -4.145 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -2.636 0.516 -3.426 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -1.298 -0.236 -2.581 1.00 0.00 H new ATOM 0 HG21 ILE A 113 0.638 -0.697 -4.994 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -0.255 -1.403 -6.362 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -0.369 0.342 -6.031 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -0.728 2.175 -3.154 1.00 0.00 H new ATOM 0 HD12 ILE A 113 0.364 1.070 -4.022 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -0.995 1.834 -4.880 1.00 0.00 H new ATOM 1513 N VAL A 114 -2.498 -1.853 -7.641 1.00 0.00 N ATOM 1514 CA VAL A 114 -2.546 -2.993 -8.602 1.00 0.00 C ATOM 1515 C VAL A 114 -1.152 -3.582 -8.769 1.00 0.00 C ATOM 1516 O VAL A 114 -0.159 -2.887 -8.775 1.00 0.00 O ATOM 1517 CB VAL A 114 -3.060 -2.503 -9.967 1.00 0.00 C ATOM 1518 CG1 VAL A 114 -2.906 -3.673 -11.030 1.00 0.00 C ATOM 1519 CG2 VAL A 114 -4.613 -2.145 -9.862 1.00 0.00 C ATOM 0 H VAL A 114 -2.175 -0.968 -8.032 1.00 0.00 H new ATOM 0 HA VAL A 114 -3.220 -3.757 -8.215 1.00 0.00 H new ATOM 0 HB VAL A 114 -2.488 -1.625 -10.267 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -3.268 -3.333 -12.000 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -1.856 -3.954 -11.113 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -3.488 -4.536 -10.708 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -4.973 -1.798 -10.831 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -5.172 -3.032 -9.564 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -4.756 -1.360 -9.120 1.00 0.00 H new ATOM 1529 N GLY A 115 -1.088 -4.858 -8.917 1.00 0.00 N ATOM 1530 CA GLY A 115 0.225 -5.538 -9.100 1.00 0.00 C ATOM 1531 C GLY A 115 0.914 -5.696 -7.751 1.00 0.00 C ATOM 1532 O GLY A 115 0.443 -6.370 -6.864 1.00 0.00 O ATOM 0 H GLY A 115 -1.897 -5.479 -8.921 1.00 0.00 H new ATOM 0 HA2 GLY A 115 0.078 -6.515 -9.561 1.00 0.00 H new ATOM 0 HA3 GLY A 115 0.855 -4.958 -9.775 1.00 0.00 H new ATOM 1536 N GLY A 116 2.039 -5.080 -7.601 1.00 0.00 N ATOM 1537 CA GLY A 116 2.792 -5.177 -6.319 1.00 0.00 C ATOM 1538 C GLY A 116 3.828 -6.297 -6.414 1.00 0.00 C ATOM 1539 O GLY A 116 4.975 -6.086 -6.730 1.00 0.00 O ATOM 0 H GLY A 116 2.482 -4.504 -8.317 1.00 0.00 H new ATOM 0 HA2 GLY A 116 3.285 -4.229 -6.103 1.00 0.00 H new ATOM 0 HA3 GLY A 116 2.105 -5.373 -5.496 1.00 0.00 H new ATOM 1543 N TYR A 117 3.401 -7.483 -6.148 1.00 0.00 N ATOM 1544 CA TYR A 117 4.294 -8.679 -6.206 1.00 0.00 C ATOM 1545 C TYR A 117 4.938 -8.772 -7.584 1.00 0.00 C ATOM 1546 O TYR A 117 6.111 -9.032 -7.728 1.00 0.00 O ATOM 1547 CB TYR A 117 3.413 -9.905 -5.956 1.00 0.00 C ATOM 1548 CG TYR A 117 4.204 -11.201 -6.000 1.00 0.00 C ATOM 1549 CD1 TYR A 117 4.891 -11.637 -4.856 1.00 0.00 C ATOM 1550 CD2 TYR A 117 4.241 -11.979 -7.174 1.00 0.00 C ATOM 1551 CE1 TYR A 117 5.586 -12.846 -4.875 1.00 0.00 C ATOM 1552 CE2 TYR A 117 4.942 -13.188 -7.191 1.00 0.00 C ATOM 1553 CZ TYR A 117 5.628 -13.621 -6.044 1.00 0.00 C ATOM 1554 OH TYR A 117 6.324 -14.814 -6.056 1.00 0.00 O ATOM 0 H TYR A 117 2.439 -7.692 -5.882 1.00 0.00 H new ATOM 0 HA TYR A 117 5.089 -8.614 -5.463 1.00 0.00 H new ATOM 0 HB2 TYR A 117 2.929 -9.810 -4.984 1.00 0.00 H new ATOM 0 HB3 TYR A 117 2.621 -9.939 -6.704 1.00 0.00 H new ATOM 0 HD1 TYR A 117 4.881 -11.035 -3.959 1.00 0.00 H new ATOM 0 HD2 TYR A 117 3.727 -11.641 -8.062 1.00 0.00 H new ATOM 0 HE1 TYR A 117 6.094 -13.187 -3.985 1.00 0.00 H new ATOM 0 HE2 TYR A 117 4.956 -13.790 -8.087 1.00 0.00 H new ATOM 0 HH TYR A 117 6.251 -15.226 -6.942 1.00 0.00 H new ATOM 1564 N SER A 118 4.165 -8.565 -8.598 1.00 0.00 N ATOM 1565 CA SER A 118 4.712 -8.640 -9.984 1.00 0.00 C ATOM 1566 C SER A 118 5.814 -7.612 -10.146 1.00 0.00 C ATOM 1567 O SER A 118 6.826 -7.851 -10.762 1.00 0.00 O ATOM 1568 CB SER A 118 3.592 -8.368 -10.992 1.00 0.00 C ATOM 1569 OG SER A 118 2.529 -9.287 -10.785 1.00 0.00 O ATOM 0 H SER A 118 3.171 -8.345 -8.536 1.00 0.00 H new ATOM 0 HA SER A 118 5.119 -9.635 -10.164 1.00 0.00 H new ATOM 0 HB2 SER A 118 3.229 -7.346 -10.880 1.00 0.00 H new ATOM 0 HB3 SER A 118 3.974 -8.461 -12.009 1.00 0.00 H new ATOM 0 HG SER A 118 1.813 -9.110 -11.430 1.00 0.00 H new ATOM 1575 N ALA A 119 5.631 -6.468 -9.587 1.00 0.00 N ATOM 1576 CA ALA A 119 6.673 -5.413 -9.700 1.00 0.00 C ATOM 1577 C ALA A 119 7.859 -5.796 -8.825 1.00 0.00 C ATOM 1578 O ALA A 119 8.988 -5.800 -9.249 1.00 0.00 O ATOM 1579 CB ALA A 119 6.065 -4.034 -9.199 1.00 0.00 C ATOM 0 H ALA A 119 4.803 -6.207 -9.051 1.00 0.00 H new ATOM 0 HA ALA A 119 6.999 -5.314 -10.735 1.00 0.00 H new ATOM 0 HB1 ALA A 119 6.821 -3.253 -9.278 1.00 0.00 H new ATOM 0 HB2 ALA A 119 5.205 -3.770 -9.815 1.00 0.00 H new ATOM 0 HB3 ALA A 119 5.750 -4.131 -8.160 1.00 0.00 H new ATOM 1585 N TRP A 120 7.604 -6.130 -7.594 1.00 0.00 N ATOM 1586 CA TRP A 120 8.711 -6.535 -6.669 1.00 0.00 C ATOM 1587 C TRP A 120 9.476 -7.655 -7.352 1.00 0.00 C ATOM 1588 O TRP A 120 10.683 -7.717 -7.330 1.00 0.00 O ATOM 1589 CB TRP A 120 8.105 -7.018 -5.327 1.00 0.00 C ATOM 1590 CG TRP A 120 8.400 -6.050 -4.216 1.00 0.00 C ATOM 1591 CD1 TRP A 120 9.252 -6.267 -3.173 1.00 0.00 C ATOM 1592 CD2 TRP A 120 7.830 -4.739 -3.999 1.00 0.00 C ATOM 1593 NE1 TRP A 120 9.218 -5.154 -2.349 1.00 0.00 N ATOM 1594 CE2 TRP A 120 8.348 -4.196 -2.804 1.00 0.00 C ATOM 1595 CE3 TRP A 120 6.876 -3.990 -4.703 1.00 0.00 C ATOM 1596 CZ2 TRP A 120 7.982 -2.915 -2.362 1.00 0.00 C ATOM 1597 CZ3 TRP A 120 6.498 -2.708 -4.273 1.00 0.00 C ATOM 1598 CH2 TRP A 120 7.032 -2.187 -3.081 1.00 0.00 C ATOM 0 H TRP A 120 6.672 -6.142 -7.180 1.00 0.00 H new ATOM 0 HA TRP A 120 9.380 -5.702 -6.454 1.00 0.00 H new ATOM 0 HB2 TRP A 120 7.027 -7.135 -5.434 1.00 0.00 H new ATOM 0 HB3 TRP A 120 8.509 -7.999 -5.075 1.00 0.00 H new ATOM 0 HD1 TRP A 120 9.849 -7.153 -3.017 1.00 0.00 H new ATOM 0 HE1 TRP A 120 9.776 -5.058 -1.501 1.00 0.00 H new ATOM 0 HE3 TRP A 120 6.424 -4.406 -5.591 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 8.431 -2.496 -1.474 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 5.800 -2.125 -4.855 1.00 0.00 H new ATOM 0 HH2 TRP A 120 6.707 -1.222 -2.721 1.00 0.00 H new ATOM 1609 N ALA A 121 8.780 -8.527 -8.003 1.00 0.00 N ATOM 1610 CA ALA A 121 9.462 -9.625 -8.743 1.00 0.00 C ATOM 1611 C ALA A 121 10.309 -9.018 -9.852 1.00 0.00 C ATOM 1612 O ALA A 121 11.281 -9.577 -10.296 1.00 0.00 O ATOM 1613 CB ALA A 121 8.366 -10.578 -9.386 1.00 0.00 C ATOM 0 H ALA A 121 7.762 -8.533 -8.060 1.00 0.00 H new ATOM 0 HA ALA A 121 10.093 -10.197 -8.063 1.00 0.00 H new ATOM 0 HB1 ALA A 121 8.859 -11.384 -9.929 1.00 0.00 H new ATOM 0 HB2 ALA A 121 7.743 -11.000 -8.597 1.00 0.00 H new ATOM 0 HB3 ALA A 121 7.743 -10.005 -10.073 1.00 0.00 H new ATOM 1619 N LYS A 122 9.939 -7.860 -10.309 1.00 0.00 N ATOM 1620 CA LYS A 122 10.723 -7.191 -11.387 1.00 0.00 C ATOM 1621 C LYS A 122 12.160 -7.043 -10.888 1.00 0.00 C ATOM 1622 O LYS A 122 13.109 -7.306 -11.589 1.00 0.00 O ATOM 1623 CB LYS A 122 10.111 -5.815 -11.687 1.00 0.00 C ATOM 1624 CG LYS A 122 10.582 -5.344 -13.060 1.00 0.00 C ATOM 1625 CD LYS A 122 10.270 -3.848 -13.227 1.00 0.00 C ATOM 1626 CE LYS A 122 8.810 -3.572 -12.856 1.00 0.00 C ATOM 1627 NZ LYS A 122 8.700 -3.488 -11.296 1.00 0.00 N ATOM 0 H LYS A 122 9.123 -7.342 -9.983 1.00 0.00 H new ATOM 0 HA LYS A 122 10.706 -7.777 -12.306 1.00 0.00 H new ATOM 0 HB2 LYS A 122 9.023 -5.875 -11.664 1.00 0.00 H new ATOM 0 HB3 LYS A 122 10.407 -5.097 -10.922 1.00 0.00 H new ATOM 0 HG2 LYS A 122 11.653 -5.517 -13.167 1.00 0.00 H new ATOM 0 HG3 LYS A 122 10.087 -5.919 -13.843 1.00 0.00 H new ATOM 0 HD2 LYS A 122 10.932 -3.257 -12.594 1.00 0.00 H new ATOM 0 HD3 LYS A 122 10.456 -3.542 -14.257 1.00 0.00 H new ATOM 0 HE2 LYS A 122 8.474 -2.640 -13.310 1.00 0.00 H new ATOM 0 HE3 LYS A 122 8.166 -4.364 -13.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 7.813 -3.011 -11.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 8.707 -4.448 -10.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 9.506 -2.949 -10.920 1.00 0.00 H new ATOM 1641 N ASN A 123 12.332 -6.659 -9.654 1.00 0.00 N ATOM 1642 CA ASN A 123 13.717 -6.527 -9.087 1.00 0.00 C ATOM 1643 C ASN A 123 14.105 -7.857 -8.454 1.00 0.00 C ATOM 1644 O ASN A 123 14.989 -8.547 -8.906 1.00 0.00 O ATOM 1645 CB ASN A 123 13.723 -5.460 -7.992 1.00 0.00 C ATOM 1646 CG ASN A 123 13.344 -4.098 -8.548 1.00 0.00 C ATOM 1647 OD1 ASN A 123 13.381 -3.867 -9.735 1.00 0.00 O ATOM 1648 ND2 ASN A 123 12.993 -3.170 -7.718 1.00 0.00 N ATOM 0 H ASN A 123 11.577 -6.429 -9.008 1.00 0.00 H new ATOM 0 HA ASN A 123 14.413 -6.251 -9.879 1.00 0.00 H new ATOM 0 HB2 ASN A 123 13.025 -5.741 -7.204 1.00 0.00 H new ATOM 0 HB3 ASN A 123 14.712 -5.407 -7.538 1.00 0.00 H new ATOM 0 HD21 ASN A 123 12.747 -2.243 -8.064 1.00 0.00 H new ATOM 0 HD22 ASN A 123 12.962 -3.366 -6.717 1.00 0.00 H new ATOM 1655 N GLY A 124 13.450 -8.210 -7.392 1.00 0.00 N ATOM 1656 CA GLY A 124 13.758 -9.494 -6.696 1.00 0.00 C ATOM 1657 C GLY A 124 14.349 -9.181 -5.322 1.00 0.00 C ATOM 1658 O GLY A 124 15.353 -9.721 -4.923 1.00 0.00 O ATOM 0 H GLY A 124 12.703 -7.661 -6.966 1.00 0.00 H new ATOM 0 HA2 GLY A 124 12.853 -10.092 -6.590 1.00 0.00 H new ATOM 0 HA3 GLY A 124 14.462 -10.083 -7.284 1.00 0.00 H new ATOM 1662 N LEU A 125 13.726 -8.310 -4.589 1.00 0.00 N ATOM 1663 CA LEU A 125 14.256 -7.958 -3.238 1.00 0.00 C ATOM 1664 C LEU A 125 13.150 -8.139 -2.198 1.00 0.00 C ATOM 1665 O LEU A 125 12.503 -7.195 -1.806 1.00 0.00 O ATOM 1666 CB LEU A 125 14.738 -6.498 -3.237 1.00 0.00 C ATOM 1667 CG LEU A 125 16.100 -6.423 -3.946 1.00 0.00 C ATOM 1668 CD1 LEU A 125 16.304 -4.966 -4.550 1.00 0.00 C ATOM 1669 CD2 LEU A 125 17.264 -6.683 -2.883 1.00 0.00 C ATOM 0 H LEU A 125 12.872 -7.823 -4.862 1.00 0.00 H new ATOM 0 HA LEU A 125 15.094 -8.610 -2.993 1.00 0.00 H new ATOM 0 HB2 LEU A 125 14.013 -5.861 -3.745 1.00 0.00 H new ATOM 0 HB3 LEU A 125 14.824 -6.130 -2.215 1.00 0.00 H new ATOM 0 HG LEU A 125 16.131 -7.171 -4.738 1.00 0.00 H new ATOM 0 HD11 LEU A 125 17.270 -4.912 -5.053 1.00 0.00 H new ATOM 0 HD12 LEU A 125 15.510 -4.754 -5.266 1.00 0.00 H new ATOM 0 HD13 LEU A 125 16.273 -4.231 -3.746 1.00 0.00 H new ATOM 0 HD21 LEU A 125 18.231 -6.631 -3.383 1.00 0.00 H new ATOM 0 HD22 LEU A 125 17.218 -5.925 -2.101 1.00 0.00 H new ATOM 0 HD23 LEU A 125 17.138 -7.671 -2.440 1.00 0.00 H new ATOM 1681 N PRO A 126 12.901 -9.355 -1.805 1.00 0.00 N ATOM 1682 CA PRO A 126 11.854 -9.664 -0.802 1.00 0.00 C ATOM 1683 C PRO A 126 12.392 -9.771 0.608 1.00 0.00 C ATOM 1684 O PRO A 126 13.228 -10.595 0.916 1.00 0.00 O ATOM 1685 CB PRO A 126 11.286 -11.011 -1.273 1.00 0.00 C ATOM 1686 CG PRO A 126 12.326 -11.644 -2.135 1.00 0.00 C ATOM 1687 CD PRO A 126 13.497 -10.660 -2.279 1.00 0.00 C ATOM 0 HA PRO A 126 11.110 -8.869 -0.747 1.00 0.00 H new ATOM 0 HB2 PRO A 126 11.050 -11.649 -0.421 1.00 0.00 H new ATOM 0 HB3 PRO A 126 10.360 -10.866 -1.829 1.00 0.00 H new ATOM 0 HG2 PRO A 126 12.668 -12.579 -1.692 1.00 0.00 H new ATOM 0 HG3 PRO A 126 11.912 -11.887 -3.113 1.00 0.00 H new ATOM 0 HD2 PRO A 126 14.352 -10.958 -1.672 1.00 0.00 H new ATOM 0 HD3 PRO A 126 13.845 -10.594 -3.310 1.00 0.00 H new ATOM 1695 N THR A 127 11.945 -8.934 1.476 1.00 0.00 N ATOM 1696 CA THR A 127 12.424 -8.996 2.869 1.00 0.00 C ATOM 1697 C THR A 127 11.464 -9.850 3.687 1.00 0.00 C ATOM 1698 O THR A 127 10.263 -9.748 3.576 1.00 0.00 O ATOM 1699 CB THR A 127 12.477 -7.562 3.401 1.00 0.00 C ATOM 1700 OG1 THR A 127 13.361 -6.775 2.614 1.00 0.00 O ATOM 1701 CG2 THR A 127 13.012 -7.596 4.894 1.00 0.00 C ATOM 0 H THR A 127 11.262 -8.201 1.282 1.00 0.00 H new ATOM 0 HA THR A 127 13.415 -9.446 2.934 1.00 0.00 H new ATOM 0 HB THR A 127 11.479 -7.125 3.358 1.00 0.00 H new ATOM 0 HG1 THR A 127 13.171 -5.825 2.760 1.00 0.00 H new ATOM 0 HG21 THR A 127 13.056 -6.581 5.288 1.00 0.00 H new ATOM 0 HG22 THR A 127 12.339 -8.195 5.508 1.00 0.00 H new ATOM 0 HG23 THR A 127 14.009 -8.036 4.913 1.00 0.00 H new ATOM 1709 N LYS A 128 11.993 -10.702 4.497 1.00 0.00 N ATOM 1710 CA LYS A 128 11.137 -11.603 5.304 1.00 0.00 C ATOM 1711 C LYS A 128 12.017 -12.411 6.240 1.00 0.00 C ATOM 1712 O LYS A 128 13.145 -12.721 5.953 1.00 0.00 O ATOM 1713 CB LYS A 128 10.346 -12.540 4.370 1.00 0.00 C ATOM 1714 CG LYS A 128 11.284 -13.359 3.462 1.00 0.00 C ATOM 1715 CD LYS A 128 11.228 -12.824 2.038 1.00 0.00 C ATOM 1716 CE LYS A 128 12.164 -13.636 1.149 1.00 0.00 C ATOM 1717 NZ LYS A 128 11.407 -13.992 -0.170 1.00 0.00 N ATOM 0 H LYS A 128 12.996 -10.818 4.640 1.00 0.00 H new ATOM 0 HA LYS A 128 10.429 -11.018 5.891 1.00 0.00 H new ATOM 0 HB2 LYS A 128 9.733 -13.216 4.966 1.00 0.00 H new ATOM 0 HB3 LYS A 128 9.665 -11.952 3.755 1.00 0.00 H new ATOM 0 HG2 LYS A 128 12.305 -13.307 3.839 1.00 0.00 H new ATOM 0 HG3 LYS A 128 10.992 -14.409 3.476 1.00 0.00 H new ATOM 0 HD2 LYS A 128 10.208 -12.881 1.657 1.00 0.00 H new ATOM 0 HD3 LYS A 128 11.516 -11.773 2.022 1.00 0.00 H new ATOM 0 HE2 LYS A 128 13.065 -13.065 0.926 1.00 0.00 H new ATOM 0 HE3 LYS A 128 12.480 -14.544 1.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 12.094 -14.119 -0.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 10.870 -14.873 -0.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 10.752 -13.221 -0.413 1.00 0.00 H new ATOM 1731 N ALA A 129 11.524 -12.715 7.382 1.00 0.00 N ATOM 1732 CA ALA A 129 12.332 -13.473 8.370 1.00 0.00 C ATOM 1733 C ALA A 129 13.687 -12.768 8.597 1.00 0.00 C ATOM 1734 CB ALA A 129 12.569 -14.936 7.770 1.00 0.00 C ATOM 0 H ALA A 129 10.582 -12.473 7.690 1.00 0.00 H new ATOM 0 HA ALA A 129 11.816 -13.529 9.328 1.00 0.00 H new ATOM 0 HB1 ALA A 129 13.161 -15.525 8.470 1.00 0.00 H new ATOM 0 HB2 ALA A 129 11.607 -15.423 7.609 1.00 0.00 H new ATOM 0 HB3 ALA A 129 13.100 -14.859 6.821 1.00 0.00 H new TER 1740 ALA A 129