USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 895 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 104 THR OG1 : rot 180:sc= -0.302 USER MOD Set 1.2: A 105 ASN : amide:sc= 0.266 K(o=-0.036,f=-5.6!) USER MOD Set 2.1: A 46 TYR OH : rot 164:sc= 1.22 USER MOD Set 2.2: A 79 THR OG1 : rot 180:sc= 0.00358 USER MOD Set 3.1: A 37 SER OG : rot -77:sc= 1.41 USER MOD Set 3.2: A 38 LYS NZ :NH3+ -110:sc= 1.95 (180deg=0.249) USER MOD Single : A 1 GLU N :NH3+ 179:sc= 0.302! (180deg=0.231!) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 4 ASN : amide:sc= -1.13 K(o=-1.1,f=-0.19) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= -2.43! K(o=-2.4!,f=-0.16) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.37 X(o=-0.37,f=0) USER MOD Single : A 18 ASN : amide:sc= -0.0183 K(o=-0.018,f=-1.7!) USER MOD Single : A 19 ASN : amide:sc= -0.849 X(o=-0.85,f=-0.52) USER MOD Single : A 28 SER OG : rot 61:sc= 0.813 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -81:sc= 1.16 USER MOD Single : A 45 LYS NZ :NH3+ 152:sc= 2.18 (180deg=0.261) USER MOD Single : A 49 THR OG1 : rot 180:sc=-0.00699 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.678 USER MOD Single : A 71 ASN : amide:sc= -0.148 K(o=-0.15,f=-2.3) USER MOD Single : A 74 THR OG1 : rot -150:sc= 0.744 USER MOD Single : A 77 GLN : amide:sc= -5.85! C(o=-5.8!,f=-3!) USER MOD Single : A 85 GLN : amide:sc= -3.87! C(o=-3.9!,f=-9.6!) USER MOD Single : A 88 ASN : amide:sc= -0.529! C(o=-0.53!,f=-14!) USER MOD Single : A 97 THR OG1 : rot -162:sc= 0.656 USER MOD Single : A 100 THR OG1 : rot 57:sc= 0.379 USER MOD Single : A 101 LYS NZ :NH3+ 148:sc= -0.185 (180deg=-1.55!) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 HIS : no HD1:sc= -0.986 K(o=-0.99,f=-2.6!) USER MOD Single : A 115 ASN : amide:sc= -1.8 K(o=-1.8,f=-9.6!) USER MOD Single : A 117 ASN : amide:sc= -0.688 K(o=-0.69,f=-6.4!) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= -3.08 K(o=-3.1,f=-2.2) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 4.032 15.107 -0.671 1.00 0.00 N ATOM 2 CA GLU A 1 3.919 15.287 -2.140 1.00 0.00 C ATOM 3 C GLU A 1 5.070 14.548 -2.845 1.00 0.00 C ATOM 4 O GLU A 1 4.818 13.571 -3.515 1.00 0.00 O ATOM 5 CB GLU A 1 3.941 16.792 -2.386 1.00 0.00 C ATOM 6 CG GLU A 1 3.649 17.137 -3.859 1.00 0.00 C ATOM 7 CD GLU A 1 3.657 18.663 -4.005 1.00 0.00 C ATOM 8 OE1 GLU A 1 2.815 19.264 -3.362 1.00 0.00 O ATOM 9 OE2 GLU A 1 4.508 19.120 -4.741 1.00 0.00 O ATOM 0 H1 GLU A 1 3.262 15.622 -0.198 1.00 0.00 H new ATOM 0 H2 GLU A 1 3.966 14.095 -0.439 1.00 0.00 H new ATOM 0 H3 GLU A 1 4.948 15.477 -0.345 1.00 0.00 H new ATOM 0 HA GLU A 1 3.000 14.865 -2.546 1.00 0.00 H new ATOM 0 HB2 GLU A 1 3.202 17.275 -1.747 1.00 0.00 H new ATOM 0 HB3 GLU A 1 4.916 17.192 -2.106 1.00 0.00 H new ATOM 0 HG2 GLU A 1 4.400 16.689 -4.510 1.00 0.00 H new ATOM 0 HG3 GLU A 1 2.683 16.732 -4.160 1.00 0.00 H new ATOM 18 N GLN A 2 6.265 15.045 -2.637 1.00 0.00 N ATOM 19 CA GLN A 2 7.522 14.479 -3.232 1.00 0.00 C ATOM 20 C GLN A 2 8.579 13.962 -2.199 1.00 0.00 C ATOM 21 O GLN A 2 9.216 14.747 -1.523 1.00 0.00 O ATOM 22 CB GLN A 2 8.110 15.613 -4.132 1.00 0.00 C ATOM 23 CG GLN A 2 9.558 15.283 -4.608 1.00 0.00 C ATOM 24 CD GLN A 2 10.140 16.382 -5.504 1.00 0.00 C ATOM 25 OE1 GLN A 2 9.935 17.563 -5.328 1.00 0.00 O ATOM 26 NE2 GLN A 2 10.898 16.056 -6.497 1.00 0.00 N ATOM 0 H GLN A 2 6.429 15.862 -2.049 1.00 0.00 H new ATOM 0 HA GLN A 2 7.272 13.578 -3.792 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.467 15.759 -5.000 1.00 0.00 H new ATOM 0 HB3 GLN A 2 8.115 16.551 -3.577 1.00 0.00 H new ATOM 0 HG2 GLN A 2 10.202 15.147 -3.739 1.00 0.00 H new ATOM 0 HG3 GLN A 2 9.553 14.338 -5.152 1.00 0.00 H new ATOM 0 HE21 GLN A 2 11.099 15.074 -6.684 1.00 0.00 H new ATOM 0 HE22 GLN A 2 11.296 16.781 -7.094 1.00 0.00 H new ATOM 35 N ALA A 3 8.717 12.656 -2.096 1.00 0.00 N ATOM 36 CA ALA A 3 9.711 12.050 -1.152 1.00 0.00 C ATOM 37 C ALA A 3 10.558 10.970 -1.888 1.00 0.00 C ATOM 38 O ALA A 3 10.087 10.333 -2.818 1.00 0.00 O ATOM 39 CB ALA A 3 8.925 11.440 0.014 1.00 0.00 C ATOM 0 H ALA A 3 8.175 11.979 -2.634 1.00 0.00 H new ATOM 0 HA ALA A 3 10.404 12.803 -0.777 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.618 10.988 0.723 1.00 0.00 H new ATOM 0 HB2 ALA A 3 8.351 12.220 0.514 1.00 0.00 H new ATOM 0 HB3 ALA A 3 8.245 10.677 -0.365 1.00 0.00 H new ATOM 45 N ASN A 4 11.769 10.812 -1.434 1.00 0.00 N ATOM 46 CA ASN A 4 12.742 9.827 -2.002 1.00 0.00 C ATOM 47 C ASN A 4 13.387 8.989 -0.891 1.00 0.00 C ATOM 48 O ASN A 4 13.151 9.229 0.278 1.00 0.00 O ATOM 49 CB ASN A 4 13.817 10.616 -2.787 1.00 0.00 C ATOM 50 CG ASN A 4 14.331 11.787 -1.953 1.00 0.00 C ATOM 51 OD1 ASN A 4 14.160 12.931 -2.295 1.00 0.00 O ATOM 52 ND2 ASN A 4 14.965 11.613 -0.846 1.00 0.00 N ATOM 0 H ASN A 4 12.144 11.351 -0.654 1.00 0.00 H new ATOM 0 HA ASN A 4 12.224 9.135 -2.666 1.00 0.00 H new ATOM 0 HB2 ASN A 4 14.644 9.956 -3.048 1.00 0.00 H new ATOM 0 HB3 ASN A 4 13.396 10.984 -3.723 1.00 0.00 H new ATOM 0 HD21 ASN A 4 15.291 12.419 -0.313 1.00 0.00 H new ATOM 0 HD22 ASN A 4 15.142 10.669 -0.502 1.00 0.00 H new ATOM 59 N ASP A 5 14.177 8.049 -1.319 1.00 0.00 N ATOM 60 CA ASP A 5 14.911 7.120 -0.401 1.00 0.00 C ATOM 61 C ASP A 5 14.015 6.604 0.769 1.00 0.00 C ATOM 62 O ASP A 5 14.352 6.710 1.935 1.00 0.00 O ATOM 63 CB ASP A 5 16.168 7.913 0.127 1.00 0.00 C ATOM 64 CG ASP A 5 16.767 8.811 -0.956 1.00 0.00 C ATOM 65 OD1 ASP A 5 16.930 8.333 -2.066 1.00 0.00 O ATOM 66 OD2 ASP A 5 17.032 9.943 -0.587 1.00 0.00 O ATOM 0 H ASP A 5 14.355 7.875 -2.308 1.00 0.00 H new ATOM 0 HA ASP A 5 15.214 6.220 -0.936 1.00 0.00 H new ATOM 0 HB2 ASP A 5 15.881 8.520 0.985 1.00 0.00 H new ATOM 0 HB3 ASP A 5 16.923 7.208 0.474 1.00 0.00 H new ATOM 71 N VAL A 6 12.879 6.044 0.441 1.00 0.00 N ATOM 72 CA VAL A 6 11.979 5.535 1.525 1.00 0.00 C ATOM 73 C VAL A 6 11.889 3.997 1.449 1.00 0.00 C ATOM 74 O VAL A 6 12.106 3.404 0.406 1.00 0.00 O ATOM 75 CB VAL A 6 10.565 6.161 1.351 1.00 0.00 C ATOM 76 CG1 VAL A 6 9.771 6.036 2.683 1.00 0.00 C ATOM 77 CG2 VAL A 6 10.623 7.652 0.956 1.00 0.00 C ATOM 0 H VAL A 6 12.538 5.917 -0.512 1.00 0.00 H new ATOM 0 HA VAL A 6 12.382 5.816 2.498 1.00 0.00 H new ATOM 0 HB VAL A 6 10.073 5.615 0.546 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.781 6.475 2.559 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.671 4.984 2.949 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.304 6.561 3.475 1.00 0.00 H new ATOM 0 HG21 VAL A 6 9.610 8.039 0.848 1.00 0.00 H new ATOM 0 HG22 VAL A 6 11.145 8.214 1.731 1.00 0.00 H new ATOM 0 HG23 VAL A 6 11.155 7.757 0.010 1.00 0.00 H new ATOM 87 N ARG A 7 11.548 3.425 2.573 1.00 0.00 N ATOM 88 CA ARG A 7 11.409 1.935 2.714 1.00 0.00 C ATOM 89 C ARG A 7 10.083 1.307 2.188 1.00 0.00 C ATOM 90 O ARG A 7 9.028 1.484 2.770 1.00 0.00 O ATOM 91 CB ARG A 7 11.588 1.594 4.225 1.00 0.00 C ATOM 92 CG ARG A 7 10.643 2.471 5.143 1.00 0.00 C ATOM 93 CD ARG A 7 10.405 1.746 6.494 1.00 0.00 C ATOM 94 NE ARG A 7 8.979 1.235 6.485 1.00 0.00 N ATOM 95 CZ ARG A 7 8.286 1.122 7.563 1.00 0.00 C ATOM 96 NH1 ARG A 7 7.936 2.163 8.207 1.00 0.00 N ATOM 97 NH2 ARG A 7 7.971 -0.049 7.946 1.00 0.00 N ATOM 0 H ARG A 7 11.353 3.942 3.430 1.00 0.00 H new ATOM 0 HA ARG A 7 12.174 1.495 2.074 1.00 0.00 H new ATOM 0 HB2 ARG A 7 11.373 0.538 4.387 1.00 0.00 H new ATOM 0 HB3 ARG A 7 12.627 1.756 4.513 1.00 0.00 H new ATOM 0 HG2 ARG A 7 11.095 3.448 5.318 1.00 0.00 H new ATOM 0 HG3 ARG A 7 9.692 2.645 4.640 1.00 0.00 H new ATOM 0 HD2 ARG A 7 11.108 0.922 6.617 1.00 0.00 H new ATOM 0 HD3 ARG A 7 10.564 2.428 7.329 1.00 0.00 H new ATOM 0 HE ARG A 7 8.555 0.972 5.596 1.00 0.00 H new ATOM 0 HH11 ARG A 7 8.205 3.087 7.868 1.00 0.00 H new ATOM 0 HH12 ARG A 7 7.387 2.073 9.062 1.00 0.00 H new ATOM 0 HH21 ARG A 7 8.267 -0.860 7.403 1.00 0.00 H new ATOM 0 HH22 ARG A 7 7.422 -0.177 8.796 1.00 0.00 H new ATOM 111 N ALA A 8 10.171 0.573 1.108 1.00 0.00 N ATOM 112 CA ALA A 8 8.958 -0.085 0.507 1.00 0.00 C ATOM 113 C ALA A 8 9.039 -1.640 0.570 1.00 0.00 C ATOM 114 O ALA A 8 10.011 -2.249 0.153 1.00 0.00 O ATOM 115 CB ALA A 8 8.832 0.393 -0.967 1.00 0.00 C ATOM 0 H ALA A 8 11.041 0.396 0.606 1.00 0.00 H new ATOM 0 HA ALA A 8 8.078 0.202 1.083 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.959 -0.070 -1.426 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.722 1.477 -0.990 1.00 0.00 H new ATOM 0 HB3 ALA A 8 9.727 0.108 -1.520 1.00 0.00 H new ATOM 121 N THR A 9 7.993 -2.207 1.118 1.00 0.00 N ATOM 122 CA THR A 9 7.838 -3.695 1.284 1.00 0.00 C ATOM 123 C THR A 9 6.445 -4.074 0.798 1.00 0.00 C ATOM 124 O THR A 9 5.540 -3.259 0.879 1.00 0.00 O ATOM 125 CB THR A 9 7.904 -4.141 2.756 1.00 0.00 C ATOM 126 OG1 THR A 9 6.765 -3.568 3.377 1.00 0.00 O ATOM 127 CG2 THR A 9 9.025 -3.484 3.499 1.00 0.00 C ATOM 0 H THR A 9 7.200 -1.675 1.476 1.00 0.00 H new ATOM 0 HA THR A 9 8.648 -4.169 0.729 1.00 0.00 H new ATOM 0 HB THR A 9 7.997 -5.227 2.777 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.748 -3.818 4.324 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.029 -3.831 4.532 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.974 -3.739 3.026 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.890 -2.403 3.480 1.00 0.00 H new ATOM 135 N TYR A 10 6.310 -5.283 0.326 1.00 0.00 N ATOM 136 CA TYR A 10 4.962 -5.697 -0.153 1.00 0.00 C ATOM 137 C TYR A 10 4.310 -6.728 0.813 1.00 0.00 C ATOM 138 O TYR A 10 4.939 -7.356 1.649 1.00 0.00 O ATOM 139 CB TYR A 10 5.136 -6.265 -1.585 1.00 0.00 C ATOM 140 CG TYR A 10 6.003 -7.528 -1.584 1.00 0.00 C ATOM 141 CD1 TYR A 10 7.391 -7.495 -1.620 1.00 0.00 C ATOM 142 CD2 TYR A 10 5.359 -8.746 -1.537 1.00 0.00 C ATOM 143 CE1 TYR A 10 8.105 -8.673 -1.604 1.00 0.00 C ATOM 144 CE2 TYR A 10 6.080 -9.917 -1.522 1.00 0.00 C ATOM 145 CZ TYR A 10 7.458 -9.885 -1.554 1.00 0.00 C ATOM 146 OH TYR A 10 8.177 -11.057 -1.535 1.00 0.00 O ATOM 0 H TYR A 10 7.049 -5.982 0.252 1.00 0.00 H new ATOM 0 HA TYR A 10 4.283 -4.845 -0.174 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.158 -6.494 -2.009 1.00 0.00 H new ATOM 0 HB3 TYR A 10 5.592 -5.509 -2.225 1.00 0.00 H new ATOM 0 HD1 TYR A 10 7.909 -6.548 -1.660 1.00 0.00 H new ATOM 0 HD2 TYR A 10 4.280 -8.781 -1.512 1.00 0.00 H new ATOM 0 HE1 TYR A 10 9.184 -8.644 -1.631 1.00 0.00 H new ATOM 0 HE2 TYR A 10 5.565 -10.865 -1.485 1.00 0.00 H new ATOM 0 HH TYR A 10 7.561 -11.818 -1.498 1.00 0.00 H new ATOM 156 N HIS A 11 3.023 -6.838 0.630 1.00 0.00 N ATOM 157 CA HIS A 11 2.150 -7.752 1.420 1.00 0.00 C ATOM 158 C HIS A 11 1.270 -8.504 0.389 1.00 0.00 C ATOM 159 O HIS A 11 1.468 -8.393 -0.803 1.00 0.00 O ATOM 160 CB HIS A 11 1.323 -6.859 2.387 1.00 0.00 C ATOM 161 CG HIS A 11 0.704 -7.649 3.537 1.00 0.00 C ATOM 162 ND1 HIS A 11 1.303 -7.947 4.637 1.00 0.00 N ATOM 163 CD2 HIS A 11 -0.549 -8.204 3.686 1.00 0.00 C ATOM 164 CE1 HIS A 11 0.514 -8.623 5.408 1.00 0.00 C ATOM 165 NE2 HIS A 11 -0.655 -8.807 4.852 1.00 0.00 N ATOM 0 H HIS A 11 2.516 -6.301 -0.074 1.00 0.00 H new ATOM 0 HA HIS A 11 2.688 -8.487 2.019 1.00 0.00 H new ATOM 0 HB2 HIS A 11 1.966 -6.078 2.793 1.00 0.00 H new ATOM 0 HB3 HIS A 11 0.532 -6.361 1.827 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -1.336 -8.152 2.948 1.00 0.00 H new ATOM 0 HE1 HIS A 11 0.786 -8.989 6.387 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -1.461 -9.302 5.233 1.00 0.00 H new ATOM 173 N TYR A 12 0.331 -9.256 0.878 1.00 0.00 N ATOM 174 CA TYR A 12 -0.601 -10.043 -0.008 1.00 0.00 C ATOM 175 C TYR A 12 -1.972 -10.143 0.701 1.00 0.00 C ATOM 176 O TYR A 12 -2.056 -9.913 1.888 1.00 0.00 O ATOM 177 CB TYR A 12 0.026 -11.467 -0.256 1.00 0.00 C ATOM 178 CG TYR A 12 1.177 -11.653 0.737 1.00 0.00 C ATOM 179 CD1 TYR A 12 0.941 -12.144 2.002 1.00 0.00 C ATOM 180 CD2 TYR A 12 2.459 -11.282 0.377 1.00 0.00 C ATOM 181 CE1 TYR A 12 1.986 -12.254 2.899 1.00 0.00 C ATOM 182 CE2 TYR A 12 3.497 -11.395 1.277 1.00 0.00 C ATOM 183 CZ TYR A 12 3.257 -11.881 2.537 1.00 0.00 C ATOM 184 OH TYR A 12 4.285 -11.987 3.438 1.00 0.00 O ATOM 0 H TYR A 12 0.156 -9.369 1.877 1.00 0.00 H new ATOM 0 HA TYR A 12 -0.742 -9.558 -0.974 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -0.726 -12.244 -0.119 1.00 0.00 H new ATOM 0 HB3 TYR A 12 0.388 -11.551 -1.281 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.056 -12.442 2.291 1.00 0.00 H new ATOM 0 HD2 TYR A 12 2.649 -10.901 -0.616 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.802 -12.636 3.892 1.00 0.00 H new ATOM 0 HE2 TYR A 12 4.496 -11.102 0.991 1.00 0.00 H new ATOM 0 HH TYR A 12 5.118 -11.682 3.021 1.00 0.00 H new ATOM 194 N TYR A 13 -3.001 -10.472 -0.016 1.00 0.00 N ATOM 195 CA TYR A 13 -4.400 -10.617 0.524 1.00 0.00 C ATOM 196 C TYR A 13 -5.016 -11.752 -0.317 1.00 0.00 C ATOM 197 O TYR A 13 -4.353 -12.735 -0.565 1.00 0.00 O ATOM 198 CB TYR A 13 -5.122 -9.224 0.347 1.00 0.00 C ATOM 199 CG TYR A 13 -4.969 -8.402 1.647 1.00 0.00 C ATOM 200 CD1 TYR A 13 -3.850 -7.624 1.874 1.00 0.00 C ATOM 201 CD2 TYR A 13 -5.955 -8.445 2.619 1.00 0.00 C ATOM 202 CE1 TYR A 13 -3.720 -6.905 3.051 1.00 0.00 C ATOM 203 CE2 TYR A 13 -5.819 -7.721 3.796 1.00 0.00 C ATOM 204 CZ TYR A 13 -4.695 -6.948 4.013 1.00 0.00 C ATOM 205 OH TYR A 13 -4.509 -6.219 5.169 1.00 0.00 O ATOM 0 H TYR A 13 -2.936 -10.660 -1.016 1.00 0.00 H new ATOM 0 HA TYR A 13 -4.475 -10.869 1.582 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -4.689 -8.681 -0.493 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.177 -9.374 0.120 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -3.071 -7.576 1.128 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -6.837 -9.047 2.460 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.838 -6.302 3.213 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -6.596 -7.762 4.545 1.00 0.00 H new ATOM 0 HH TYR A 13 -5.280 -6.342 5.761 1.00 0.00 H new ATOM 215 N ARG A 14 -6.252 -11.657 -0.730 1.00 0.00 N ATOM 216 CA ARG A 14 -6.805 -12.770 -1.562 1.00 0.00 C ATOM 217 C ARG A 14 -7.525 -12.310 -2.877 1.00 0.00 C ATOM 218 O ARG A 14 -8.262 -13.109 -3.429 1.00 0.00 O ATOM 219 CB ARG A 14 -7.751 -13.594 -0.639 1.00 0.00 C ATOM 220 CG ARG A 14 -6.920 -14.330 0.476 1.00 0.00 C ATOM 221 CD ARG A 14 -6.743 -13.493 1.774 1.00 0.00 C ATOM 222 NE ARG A 14 -8.020 -13.578 2.568 1.00 0.00 N ATOM 223 CZ ARG A 14 -8.760 -12.555 2.810 1.00 0.00 C ATOM 224 NH1 ARG A 14 -9.616 -12.250 1.932 1.00 0.00 N ATOM 225 NH2 ARG A 14 -8.633 -11.889 3.889 1.00 0.00 N ATOM 0 H ARG A 14 -6.888 -10.883 -0.536 1.00 0.00 H new ATOM 0 HA ARG A 14 -5.977 -13.375 -1.931 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -8.486 -12.934 -0.178 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -8.304 -14.323 -1.231 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -7.413 -15.270 0.724 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -5.937 -14.581 0.078 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -5.906 -13.873 2.360 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -6.516 -12.455 1.529 1.00 0.00 H new ATOM 0 HE ARG A 14 -8.310 -14.487 2.929 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -9.694 -12.807 1.081 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -10.229 -11.447 2.074 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -7.934 -12.165 4.579 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -9.230 -11.080 4.062 1.00 0.00 H new ATOM 239 N PRO A 15 -7.298 -11.085 -3.371 1.00 0.00 N ATOM 240 CA PRO A 15 -7.997 -10.590 -4.603 1.00 0.00 C ATOM 241 C PRO A 15 -7.661 -11.514 -5.760 1.00 0.00 C ATOM 242 O PRO A 15 -8.449 -12.374 -6.084 1.00 0.00 O ATOM 243 CB PRO A 15 -7.499 -9.111 -4.838 1.00 0.00 C ATOM 244 CG PRO A 15 -6.115 -9.190 -4.125 1.00 0.00 C ATOM 245 CD PRO A 15 -6.366 -10.040 -2.864 1.00 0.00 C ATOM 0 HA PRO A 15 -9.083 -10.589 -4.506 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -7.412 -8.861 -5.895 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -8.160 -8.370 -4.389 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -5.365 -9.650 -4.768 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -5.747 -8.197 -3.865 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -5.444 -10.471 -2.473 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -6.810 -9.454 -2.059 1.00 0.00 H new ATOM 253 N ALA A 16 -6.508 -11.300 -6.344 1.00 0.00 N ATOM 254 CA ALA A 16 -6.003 -12.107 -7.495 1.00 0.00 C ATOM 255 C ALA A 16 -6.244 -13.594 -7.172 1.00 0.00 C ATOM 256 O ALA A 16 -6.824 -14.296 -7.979 1.00 0.00 O ATOM 257 CB ALA A 16 -4.493 -11.731 -7.674 1.00 0.00 C ATOM 0 H ALA A 16 -5.867 -10.562 -6.053 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.514 -11.906 -8.437 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.074 -12.296 -8.507 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.406 -10.664 -7.879 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.948 -11.971 -6.761 1.00 0.00 H new ATOM 263 N GLN A 17 -5.784 -14.003 -6.007 1.00 0.00 N ATOM 264 CA GLN A 17 -5.965 -15.424 -5.558 1.00 0.00 C ATOM 265 C GLN A 17 -7.423 -15.846 -5.915 1.00 0.00 C ATOM 266 O GLN A 17 -7.634 -16.922 -6.442 1.00 0.00 O ATOM 267 CB GLN A 17 -5.683 -15.506 -4.014 1.00 0.00 C ATOM 268 CG GLN A 17 -4.219 -14.978 -3.688 1.00 0.00 C ATOM 269 CD GLN A 17 -3.654 -15.521 -2.364 1.00 0.00 C ATOM 270 OE1 GLN A 17 -2.483 -15.422 -2.075 1.00 0.00 O ATOM 271 NE2 GLN A 17 -4.402 -16.115 -1.499 1.00 0.00 N ATOM 0 H GLN A 17 -5.288 -13.407 -5.345 1.00 0.00 H new ATOM 0 HA GLN A 17 -5.272 -16.104 -6.054 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -6.419 -14.913 -3.472 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -5.789 -16.536 -3.673 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.550 -15.258 -4.502 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -4.234 -13.889 -3.648 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -5.399 -16.232 -1.681 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -3.997 -16.469 -0.632 1.00 0.00 H new ATOM 280 N ASN A 18 -8.385 -14.993 -5.623 1.00 0.00 N ATOM 281 CA ASN A 18 -9.827 -15.275 -5.930 1.00 0.00 C ATOM 282 C ASN A 18 -10.359 -14.345 -7.099 1.00 0.00 C ATOM 283 O ASN A 18 -11.403 -13.730 -7.010 1.00 0.00 O ATOM 284 CB ASN A 18 -10.641 -15.032 -4.629 1.00 0.00 C ATOM 285 CG ASN A 18 -11.991 -15.726 -4.735 1.00 0.00 C ATOM 286 OD1 ASN A 18 -12.397 -16.204 -5.766 1.00 0.00 O ATOM 287 ND2 ASN A 18 -12.762 -15.832 -3.711 1.00 0.00 N ATOM 0 H ASN A 18 -8.223 -14.092 -5.174 1.00 0.00 H new ATOM 0 HA ASN A 18 -9.939 -16.305 -6.267 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -10.092 -15.412 -3.768 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -10.782 -13.963 -4.470 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -13.664 -16.301 -3.798 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -12.472 -15.447 -2.812 1.00 0.00 H new ATOM 294 N ASN A 19 -9.625 -14.245 -8.184 1.00 0.00 N ATOM 295 CA ASN A 19 -10.023 -13.389 -9.383 1.00 0.00 C ATOM 296 C ASN A 19 -10.292 -11.875 -9.091 1.00 0.00 C ATOM 297 O ASN A 19 -11.193 -11.272 -9.650 1.00 0.00 O ATOM 298 CB ASN A 19 -11.306 -14.001 -10.046 1.00 0.00 C ATOM 299 CG ASN A 19 -11.528 -13.401 -11.445 1.00 0.00 C ATOM 300 OD1 ASN A 19 -10.824 -13.709 -12.379 1.00 0.00 O ATOM 301 ND2 ASN A 19 -12.472 -12.545 -11.665 1.00 0.00 N ATOM 0 H ASN A 19 -8.737 -14.732 -8.304 1.00 0.00 H new ATOM 0 HA ASN A 19 -9.153 -13.408 -10.039 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -11.203 -15.084 -10.120 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -12.175 -13.806 -9.418 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -12.601 -12.156 -12.599 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -13.088 -12.258 -10.904 1.00 0.00 H new ATOM 308 N TRP A 20 -9.475 -11.341 -8.226 1.00 0.00 N ATOM 309 CA TRP A 20 -9.505 -9.900 -7.767 1.00 0.00 C ATOM 310 C TRP A 20 -10.629 -9.565 -6.816 1.00 0.00 C ATOM 311 O TRP A 20 -11.332 -8.576 -6.882 1.00 0.00 O ATOM 312 CB TRP A 20 -9.585 -8.937 -8.962 1.00 0.00 C ATOM 313 CG TRP A 20 -8.158 -8.541 -9.288 1.00 0.00 C ATOM 314 CD1 TRP A 20 -7.252 -9.419 -9.677 1.00 0.00 C ATOM 315 CD2 TRP A 20 -7.605 -7.340 -9.270 1.00 0.00 C ATOM 316 NE1 TRP A 20 -6.169 -8.698 -9.897 1.00 0.00 N ATOM 317 CE2 TRP A 20 -6.290 -7.399 -9.671 1.00 0.00 C ATOM 318 CE3 TRP A 20 -8.158 -6.164 -8.899 1.00 0.00 C ATOM 319 CZ2 TRP A 20 -5.534 -6.245 -9.710 1.00 0.00 C ATOM 320 CZ3 TRP A 20 -7.418 -5.057 -8.934 1.00 0.00 C ATOM 321 CH2 TRP A 20 -6.096 -5.048 -9.344 1.00 0.00 C ATOM 0 H TRP A 20 -8.731 -11.879 -7.782 1.00 0.00 H new ATOM 0 HA TRP A 20 -8.569 -9.774 -7.223 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -10.060 -9.418 -9.817 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -10.185 -8.061 -8.715 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -7.371 -10.487 -9.790 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -5.296 -9.114 -10.220 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -9.188 -6.122 -8.578 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -4.503 -6.284 -10.028 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -7.870 -4.125 -8.629 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -5.527 -4.131 -9.375 1.00 0.00 H new ATOM 332 N ASP A 21 -10.700 -10.463 -5.902 1.00 0.00 N ATOM 333 CA ASP A 21 -11.722 -10.384 -4.830 1.00 0.00 C ATOM 334 C ASP A 21 -11.075 -9.591 -3.676 1.00 0.00 C ATOM 335 O ASP A 21 -11.084 -9.920 -2.502 1.00 0.00 O ATOM 336 CB ASP A 21 -12.034 -11.790 -4.439 1.00 0.00 C ATOM 337 CG ASP A 21 -13.339 -11.864 -3.684 1.00 0.00 C ATOM 338 OD1 ASP A 21 -13.607 -10.987 -2.883 1.00 0.00 O ATOM 339 OD2 ASP A 21 -13.998 -12.836 -3.974 1.00 0.00 O ATOM 0 H ASP A 21 -10.082 -11.272 -5.843 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.647 -9.889 -5.126 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -12.089 -12.415 -5.330 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -11.229 -12.187 -3.821 1.00 0.00 H new ATOM 344 N LEU A 22 -10.486 -8.489 -4.039 1.00 0.00 N ATOM 345 CA LEU A 22 -9.843 -7.681 -2.974 1.00 0.00 C ATOM 346 C LEU A 22 -10.901 -7.192 -1.985 1.00 0.00 C ATOM 347 O LEU A 22 -10.575 -6.693 -0.928 1.00 0.00 O ATOM 348 CB LEU A 22 -9.104 -6.457 -3.554 1.00 0.00 C ATOM 349 CG LEU A 22 -9.109 -6.221 -5.094 1.00 0.00 C ATOM 350 CD1 LEU A 22 -10.506 -5.833 -5.546 1.00 0.00 C ATOM 351 CD2 LEU A 22 -8.259 -4.954 -5.122 1.00 0.00 C ATOM 0 H LEU A 22 -10.422 -8.124 -4.989 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.116 -8.320 -2.472 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.525 -5.568 -3.085 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.063 -6.522 -3.236 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.784 -7.065 -5.702 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.507 -5.668 -6.623 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -11.203 -6.634 -5.300 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.811 -4.918 -5.039 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.142 -4.617 -6.152 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.749 -4.174 -4.539 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.278 -5.164 -4.695 1.00 0.00 H new ATOM 363 N GLY A 23 -12.146 -7.344 -2.366 1.00 0.00 N ATOM 364 CA GLY A 23 -13.266 -6.896 -1.471 1.00 0.00 C ATOM 365 C GLY A 23 -13.956 -8.060 -0.779 1.00 0.00 C ATOM 366 O GLY A 23 -15.075 -7.905 -0.328 1.00 0.00 O ATOM 0 H GLY A 23 -12.437 -7.756 -3.252 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -12.875 -6.210 -0.719 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.997 -6.341 -2.059 1.00 0.00 H new ATOM 370 N ALA A 24 -13.273 -9.179 -0.727 1.00 0.00 N ATOM 371 CA ALA A 24 -13.822 -10.404 -0.066 1.00 0.00 C ATOM 372 C ALA A 24 -14.405 -10.069 1.334 1.00 0.00 C ATOM 373 O ALA A 24 -13.831 -9.257 2.043 1.00 0.00 O ATOM 374 CB ALA A 24 -12.644 -11.422 0.005 1.00 0.00 C ATOM 0 H ALA A 24 -12.340 -9.296 -1.123 1.00 0.00 H new ATOM 0 HA ALA A 24 -14.654 -10.828 -0.628 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -12.986 -12.341 0.481 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -12.293 -11.644 -1.003 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -11.828 -10.994 0.587 1.00 0.00 H new ATOM 380 N PRO A 25 -15.513 -10.679 1.706 1.00 0.00 N ATOM 381 CA PRO A 25 -16.243 -10.334 2.965 1.00 0.00 C ATOM 382 C PRO A 25 -15.351 -9.827 4.127 1.00 0.00 C ATOM 383 O PRO A 25 -15.643 -8.842 4.771 1.00 0.00 O ATOM 384 CB PRO A 25 -17.050 -11.635 3.295 1.00 0.00 C ATOM 385 CG PRO A 25 -16.700 -12.645 2.148 1.00 0.00 C ATOM 386 CD PRO A 25 -16.199 -11.784 0.978 1.00 0.00 C ATOM 0 HA PRO A 25 -16.890 -9.468 2.825 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -16.769 -12.035 4.269 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -18.121 -11.435 3.329 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -15.936 -13.353 2.469 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -17.574 -13.228 1.859 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -15.519 -12.332 0.326 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -17.016 -11.421 0.354 1.00 0.00 H new ATOM 394 N ALA A 26 -14.275 -10.525 4.363 1.00 0.00 N ATOM 395 CA ALA A 26 -13.320 -10.161 5.458 1.00 0.00 C ATOM 396 C ALA A 26 -12.178 -9.181 5.048 1.00 0.00 C ATOM 397 O ALA A 26 -11.112 -9.208 5.633 1.00 0.00 O ATOM 398 CB ALA A 26 -12.783 -11.516 5.983 1.00 0.00 C ATOM 0 H ALA A 26 -14.008 -11.354 3.832 1.00 0.00 H new ATOM 0 HA ALA A 26 -13.838 -9.587 6.226 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -12.074 -11.338 6.791 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -13.613 -12.117 6.355 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -12.284 -12.048 5.173 1.00 0.00 H new ATOM 404 N VAL A 27 -12.398 -8.357 4.056 1.00 0.00 N ATOM 405 CA VAL A 27 -11.331 -7.385 3.623 1.00 0.00 C ATOM 406 C VAL A 27 -11.823 -5.942 3.503 1.00 0.00 C ATOM 407 O VAL A 27 -11.382 -5.017 4.151 1.00 0.00 O ATOM 408 CB VAL A 27 -10.782 -7.768 2.241 1.00 0.00 C ATOM 409 CG1 VAL A 27 -9.512 -6.922 1.948 1.00 0.00 C ATOM 410 CG2 VAL A 27 -10.409 -9.257 2.183 1.00 0.00 C ATOM 0 H VAL A 27 -13.267 -8.310 3.523 1.00 0.00 H new ATOM 0 HA VAL A 27 -10.572 -7.440 4.403 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.556 -7.575 1.499 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.116 -7.188 0.968 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -9.770 -5.863 1.960 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -8.759 -7.121 2.710 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -10.024 -9.497 1.192 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.645 -9.470 2.931 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -11.293 -9.862 2.385 1.00 0.00 H new ATOM 420 N SER A 28 -12.771 -5.851 2.622 1.00 0.00 N ATOM 421 CA SER A 28 -13.451 -4.583 2.250 1.00 0.00 C ATOM 422 C SER A 28 -12.589 -3.267 2.349 1.00 0.00 C ATOM 423 O SER A 28 -12.839 -2.423 3.184 1.00 0.00 O ATOM 424 CB SER A 28 -14.735 -4.463 3.150 1.00 0.00 C ATOM 425 OG SER A 28 -14.263 -4.233 4.478 1.00 0.00 O ATOM 0 H SER A 28 -13.125 -6.660 2.111 1.00 0.00 H new ATOM 0 HA SER A 28 -13.677 -4.653 1.186 1.00 0.00 H new ATOM 0 HB2 SER A 28 -15.372 -3.644 2.815 1.00 0.00 H new ATOM 0 HB3 SER A 28 -15.333 -5.373 3.100 1.00 0.00 H new ATOM 0 HG SER A 28 -13.748 -3.399 4.503 1.00 0.00 H new ATOM 431 N ALA A 29 -11.596 -3.100 1.498 1.00 0.00 N ATOM 432 CA ALA A 29 -10.747 -1.842 1.571 1.00 0.00 C ATOM 433 C ALA A 29 -11.373 -0.625 0.807 1.00 0.00 C ATOM 434 O ALA A 29 -12.299 -0.791 0.032 1.00 0.00 O ATOM 435 CB ALA A 29 -9.340 -2.219 1.012 1.00 0.00 C ATOM 0 H ALA A 29 -11.335 -3.762 0.767 1.00 0.00 H new ATOM 0 HA ALA A 29 -10.682 -1.503 2.605 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -8.690 -1.345 1.043 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -8.908 -3.014 1.620 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -9.438 -2.562 -0.018 1.00 0.00 H new ATOM 441 N TYR A 30 -10.813 0.548 1.043 1.00 0.00 N ATOM 442 CA TYR A 30 -11.311 1.823 0.408 1.00 0.00 C ATOM 443 C TYR A 30 -12.008 1.755 -0.962 1.00 0.00 C ATOM 444 O TYR A 30 -13.144 2.174 -1.079 1.00 0.00 O ATOM 445 CB TYR A 30 -10.114 2.817 0.329 1.00 0.00 C ATOM 446 CG TYR A 30 -10.395 4.041 1.234 1.00 0.00 C ATOM 447 CD1 TYR A 30 -11.533 4.803 1.038 1.00 0.00 C ATOM 448 CD2 TYR A 30 -9.531 4.401 2.252 1.00 0.00 C ATOM 449 CE1 TYR A 30 -11.804 5.899 1.840 1.00 0.00 C ATOM 450 CE2 TYR A 30 -9.806 5.503 3.055 1.00 0.00 C ATOM 451 CZ TYR A 30 -10.941 6.259 2.856 1.00 0.00 C ATOM 452 OH TYR A 30 -11.189 7.344 3.675 1.00 0.00 O ATOM 0 H TYR A 30 -10.014 0.677 1.663 1.00 0.00 H new ATOM 0 HA TYR A 30 -12.123 2.139 1.063 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -9.196 2.322 0.645 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -9.964 3.140 -0.701 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -12.220 4.539 0.248 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -8.636 3.822 2.425 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -12.699 6.478 1.669 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -9.120 5.770 3.846 1.00 0.00 H new ATOM 0 HH TYR A 30 -10.465 7.432 4.329 1.00 0.00 H new ATOM 462 N CYS A 31 -11.309 1.240 -1.935 1.00 0.00 N ATOM 463 CA CYS A 31 -11.899 1.134 -3.303 1.00 0.00 C ATOM 464 C CYS A 31 -12.289 -0.302 -3.658 1.00 0.00 C ATOM 465 O CYS A 31 -13.073 -0.482 -4.558 1.00 0.00 O ATOM 466 CB CYS A 31 -10.880 1.669 -4.312 1.00 0.00 C ATOM 467 SG CYS A 31 -10.098 3.251 -3.934 1.00 0.00 S ATOM 0 H CYS A 31 -10.356 0.888 -1.844 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.816 1.723 -3.331 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -10.094 0.922 -4.427 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -11.377 1.760 -5.278 1.00 0.00 H new ATOM 472 N ALA A 32 -11.757 -1.288 -2.979 1.00 0.00 N ATOM 473 CA ALA A 32 -12.081 -2.743 -3.251 1.00 0.00 C ATOM 474 C ALA A 32 -13.583 -3.005 -3.599 1.00 0.00 C ATOM 475 O ALA A 32 -13.931 -3.970 -4.244 1.00 0.00 O ATOM 476 CB ALA A 32 -11.654 -3.497 -2.006 1.00 0.00 C ATOM 0 H ALA A 32 -11.089 -1.150 -2.221 1.00 0.00 H new ATOM 0 HA ALA A 32 -11.549 -3.081 -4.140 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -11.861 -4.559 -2.135 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -10.586 -3.353 -1.841 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -12.208 -3.122 -1.145 1.00 0.00 H new ATOM 482 N THR A 33 -14.401 -2.107 -3.123 1.00 0.00 N ATOM 483 CA THR A 33 -15.900 -2.087 -3.297 1.00 0.00 C ATOM 484 C THR A 33 -16.337 -1.513 -4.661 1.00 0.00 C ATOM 485 O THR A 33 -17.225 -2.010 -5.325 1.00 0.00 O ATOM 486 CB THR A 33 -16.484 -1.218 -2.172 1.00 0.00 C ATOM 487 OG1 THR A 33 -16.299 -1.949 -0.976 1.00 0.00 O ATOM 488 CG2 THR A 33 -17.982 -1.071 -2.216 1.00 0.00 C ATOM 0 H THR A 33 -14.066 -1.317 -2.572 1.00 0.00 H new ATOM 0 HA THR A 33 -16.266 -3.113 -3.256 1.00 0.00 H new ATOM 0 HB THR A 33 -16.005 -0.243 -2.256 1.00 0.00 H new ATOM 0 HG1 THR A 33 -16.655 -1.436 -0.221 1.00 0.00 H new ATOM 0 HG21 THR A 33 -18.310 -0.443 -1.388 1.00 0.00 H new ATOM 0 HG22 THR A 33 -18.275 -0.610 -3.159 1.00 0.00 H new ATOM 0 HG23 THR A 33 -18.447 -2.054 -2.133 1.00 0.00 H new ATOM 496 N TRP A 34 -15.663 -0.460 -5.029 1.00 0.00 N ATOM 497 CA TRP A 34 -15.925 0.268 -6.314 1.00 0.00 C ATOM 498 C TRP A 34 -14.970 -0.072 -7.479 1.00 0.00 C ATOM 499 O TRP A 34 -15.400 -0.021 -8.617 1.00 0.00 O ATOM 500 CB TRP A 34 -15.875 1.771 -5.967 1.00 0.00 C ATOM 501 CG TRP A 34 -17.050 2.131 -5.032 1.00 0.00 C ATOM 502 CD1 TRP A 34 -18.382 1.917 -5.269 1.00 0.00 C ATOM 503 CD2 TRP A 34 -16.914 2.714 -3.827 1.00 0.00 C ATOM 504 NE1 TRP A 34 -18.949 2.390 -4.172 1.00 0.00 N ATOM 505 CE2 TRP A 34 -18.144 2.889 -3.250 1.00 0.00 C ATOM 506 CE3 TRP A 34 -15.775 3.120 -3.167 1.00 0.00 C ATOM 507 CZ2 TRP A 34 -18.248 3.467 -2.009 1.00 0.00 C ATOM 508 CZ3 TRP A 34 -15.862 3.706 -1.912 1.00 0.00 C ATOM 509 CH2 TRP A 34 -17.111 3.875 -1.338 1.00 0.00 C ATOM 0 H TRP A 34 -14.910 -0.055 -4.473 1.00 0.00 H new ATOM 0 HA TRP A 34 -16.895 -0.047 -6.698 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -14.928 2.011 -5.484 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -15.928 2.366 -6.879 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -18.851 1.473 -6.135 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -19.961 2.371 -4.043 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -14.809 2.981 -3.629 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -19.219 3.603 -1.557 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -14.971 4.025 -1.392 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -17.197 4.328 -0.361 1.00 0.00 H new ATOM 520 N ASP A 35 -13.749 -0.432 -7.197 1.00 0.00 N ATOM 521 CA ASP A 35 -12.727 -0.781 -8.240 1.00 0.00 C ATOM 522 C ASP A 35 -12.933 -2.216 -8.743 1.00 0.00 C ATOM 523 O ASP A 35 -12.965 -2.458 -9.936 1.00 0.00 O ATOM 524 CB ASP A 35 -11.339 -0.683 -7.612 1.00 0.00 C ATOM 525 CG ASP A 35 -10.705 0.714 -7.532 1.00 0.00 C ATOM 526 OD1 ASP A 35 -11.401 1.636 -7.895 1.00 0.00 O ATOM 527 OD2 ASP A 35 -9.559 0.772 -7.111 1.00 0.00 O ATOM 0 H ASP A 35 -13.397 -0.503 -6.242 1.00 0.00 H new ATOM 0 HA ASP A 35 -12.829 -0.093 -9.079 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -11.396 -1.087 -6.601 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -10.666 -1.328 -8.176 1.00 0.00 H new ATOM 532 N ALA A 36 -13.071 -3.116 -7.807 1.00 0.00 N ATOM 533 CA ALA A 36 -13.284 -4.569 -8.120 1.00 0.00 C ATOM 534 C ALA A 36 -14.420 -4.792 -9.159 1.00 0.00 C ATOM 535 O ALA A 36 -14.489 -5.821 -9.794 1.00 0.00 O ATOM 536 CB ALA A 36 -13.614 -5.274 -6.805 1.00 0.00 C ATOM 0 H ALA A 36 -13.045 -2.903 -6.810 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.379 -4.977 -8.571 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -13.776 -6.336 -6.992 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -12.785 -5.151 -6.108 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -14.517 -4.839 -6.376 1.00 0.00 H new ATOM 542 N SER A 37 -15.267 -3.798 -9.285 1.00 0.00 N ATOM 543 CA SER A 37 -16.424 -3.865 -10.254 1.00 0.00 C ATOM 544 C SER A 37 -16.050 -3.400 -11.671 1.00 0.00 C ATOM 545 O SER A 37 -16.835 -3.557 -12.588 1.00 0.00 O ATOM 546 CB SER A 37 -17.600 -2.975 -9.763 1.00 0.00 C ATOM 547 OG SER A 37 -17.218 -1.626 -10.042 1.00 0.00 O ATOM 0 H SER A 37 -15.211 -2.929 -8.754 1.00 0.00 H new ATOM 0 HA SER A 37 -16.713 -4.915 -10.295 1.00 0.00 H new ATOM 0 HB2 SER A 37 -18.525 -3.233 -10.278 1.00 0.00 H new ATOM 0 HB3 SER A 37 -17.778 -3.117 -8.697 1.00 0.00 H new ATOM 0 HG SER A 37 -16.568 -1.325 -9.373 1.00 0.00 H new ATOM 553 N LYS A 38 -14.876 -2.840 -11.839 1.00 0.00 N ATOM 554 CA LYS A 38 -14.467 -2.377 -13.203 1.00 0.00 C ATOM 555 C LYS A 38 -14.021 -3.564 -14.088 1.00 0.00 C ATOM 556 O LYS A 38 -13.670 -4.641 -13.620 1.00 0.00 O ATOM 557 CB LYS A 38 -13.280 -1.349 -13.090 1.00 0.00 C ATOM 558 CG LYS A 38 -13.732 0.146 -12.971 1.00 0.00 C ATOM 559 CD LYS A 38 -14.589 0.381 -11.712 1.00 0.00 C ATOM 560 CE LYS A 38 -16.054 0.567 -12.067 1.00 0.00 C ATOM 561 NZ LYS A 38 -16.747 0.821 -10.779 1.00 0.00 N ATOM 0 H LYS A 38 -14.190 -2.685 -11.100 1.00 0.00 H new ATOM 0 HA LYS A 38 -15.332 -1.900 -13.664 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.675 -1.604 -12.220 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -12.639 -1.454 -13.965 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -12.854 0.791 -12.940 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -14.302 0.426 -13.857 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -14.482 -0.465 -11.034 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -14.227 1.262 -11.182 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -16.188 1.401 -12.755 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -16.454 -0.320 -12.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -17.341 0.002 -10.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -16.042 0.971 -10.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -17.344 1.668 -10.867 1.00 0.00 H new ATOM 575 N PRO A 39 -14.047 -3.321 -15.378 1.00 0.00 N ATOM 576 CA PRO A 39 -13.553 -4.314 -16.359 1.00 0.00 C ATOM 577 C PRO A 39 -12.070 -4.697 -16.147 1.00 0.00 C ATOM 578 O PRO A 39 -11.226 -3.922 -15.719 1.00 0.00 O ATOM 579 CB PRO A 39 -13.847 -3.643 -17.720 1.00 0.00 C ATOM 580 CG PRO A 39 -13.781 -2.129 -17.391 1.00 0.00 C ATOM 581 CD PRO A 39 -14.538 -2.077 -16.056 1.00 0.00 C ATOM 0 HA PRO A 39 -14.045 -5.282 -16.268 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -13.112 -3.923 -18.474 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -14.825 -3.929 -18.107 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -12.755 -1.774 -17.296 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -14.259 -1.520 -18.159 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -14.300 -1.179 -15.486 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -15.619 -2.088 -16.198 1.00 0.00 H new ATOM 589 N LEU A 40 -11.825 -5.935 -16.488 1.00 0.00 N ATOM 590 CA LEU A 40 -10.487 -6.554 -16.385 1.00 0.00 C ATOM 591 C LEU A 40 -9.362 -5.632 -16.830 1.00 0.00 C ATOM 592 O LEU A 40 -8.384 -5.478 -16.135 1.00 0.00 O ATOM 593 CB LEU A 40 -10.555 -7.832 -17.225 1.00 0.00 C ATOM 594 CG LEU A 40 -11.079 -9.064 -16.445 1.00 0.00 C ATOM 595 CD1 LEU A 40 -10.165 -9.370 -15.238 1.00 0.00 C ATOM 596 CD2 LEU A 40 -12.520 -8.858 -15.965 1.00 0.00 C ATOM 0 H LEU A 40 -12.540 -6.565 -16.851 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.247 -6.771 -15.344 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.201 -7.657 -18.085 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.561 -8.055 -17.613 1.00 0.00 H new ATOM 0 HG LEU A 40 -11.067 -9.912 -17.130 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.549 -10.238 -14.702 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.155 -9.578 -15.590 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.146 -8.510 -14.569 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.853 -9.743 -15.422 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -12.564 -7.991 -15.306 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -13.170 -8.694 -16.825 1.00 0.00 H new ATOM 608 N SER A 41 -9.553 -5.060 -17.983 1.00 0.00 N ATOM 609 CA SER A 41 -8.547 -4.128 -18.570 1.00 0.00 C ATOM 610 C SER A 41 -8.037 -3.049 -17.596 1.00 0.00 C ATOM 611 O SER A 41 -6.931 -3.141 -17.097 1.00 0.00 O ATOM 612 CB SER A 41 -9.196 -3.491 -19.796 1.00 0.00 C ATOM 613 OG SER A 41 -8.206 -2.546 -20.168 1.00 0.00 O ATOM 0 H SER A 41 -10.383 -5.201 -18.559 1.00 0.00 H new ATOM 0 HA SER A 41 -7.656 -4.700 -18.828 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.389 -4.218 -20.585 1.00 0.00 H new ATOM 0 HB3 SER A 41 -10.149 -3.018 -19.559 1.00 0.00 H new ATOM 0 HG SER A 41 -8.503 -2.057 -20.963 1.00 0.00 H new ATOM 619 N TRP A 42 -8.864 -2.064 -17.340 1.00 0.00 N ATOM 620 CA TRP A 42 -8.418 -0.980 -16.406 1.00 0.00 C ATOM 621 C TRP A 42 -7.975 -1.547 -15.062 1.00 0.00 C ATOM 622 O TRP A 42 -6.910 -1.201 -14.596 1.00 0.00 O ATOM 623 CB TRP A 42 -9.561 0.025 -16.175 1.00 0.00 C ATOM 624 CG TRP A 42 -9.001 1.218 -15.353 1.00 0.00 C ATOM 625 CD1 TRP A 42 -8.415 2.311 -15.927 1.00 0.00 C ATOM 626 CD2 TRP A 42 -8.973 1.365 -13.995 1.00 0.00 C ATOM 627 NE1 TRP A 42 -8.069 3.039 -14.889 1.00 0.00 N ATOM 628 CE2 TRP A 42 -8.357 2.563 -13.690 1.00 0.00 C ATOM 629 CE3 TRP A 42 -9.422 0.576 -12.945 1.00 0.00 C ATOM 630 CZ2 TRP A 42 -8.188 2.970 -12.381 1.00 0.00 C ATOM 631 CZ3 TRP A 42 -9.257 0.975 -11.626 1.00 0.00 C ATOM 632 CH2 TRP A 42 -8.637 2.177 -11.342 1.00 0.00 C ATOM 0 H TRP A 42 -9.803 -1.963 -17.724 1.00 0.00 H new ATOM 0 HA TRP A 42 -7.568 -0.478 -16.869 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -9.959 0.374 -17.128 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -10.384 -0.451 -15.641 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -8.271 2.524 -16.976 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -7.597 3.936 -15.004 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -9.908 -0.365 -13.158 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -7.703 3.911 -12.169 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -9.613 0.347 -10.823 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -8.505 2.494 -10.318 1.00 0.00 H new ATOM 643 N ARG A 43 -8.816 -2.395 -14.533 1.00 0.00 N ATOM 644 CA ARG A 43 -8.577 -3.060 -13.215 1.00 0.00 C ATOM 645 C ARG A 43 -7.184 -3.689 -13.078 1.00 0.00 C ATOM 646 O ARG A 43 -6.434 -3.365 -12.180 1.00 0.00 O ATOM 647 CB ARG A 43 -9.694 -4.100 -13.065 1.00 0.00 C ATOM 648 CG ARG A 43 -9.583 -4.836 -11.690 1.00 0.00 C ATOM 649 CD ARG A 43 -10.932 -5.493 -11.377 1.00 0.00 C ATOM 650 NE ARG A 43 -11.272 -6.374 -12.533 1.00 0.00 N ATOM 651 CZ ARG A 43 -11.997 -7.408 -12.401 1.00 0.00 C ATOM 652 NH1 ARG A 43 -11.470 -8.500 -12.051 1.00 0.00 N ATOM 653 NH2 ARG A 43 -13.226 -7.252 -12.643 1.00 0.00 N ATOM 0 H ARG A 43 -9.693 -2.665 -14.978 1.00 0.00 H new ATOM 0 HA ARG A 43 -8.600 -2.319 -12.416 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -10.665 -3.612 -13.144 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -9.634 -4.825 -13.877 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -8.795 -5.588 -11.726 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -9.314 -4.130 -10.904 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -10.873 -6.073 -10.456 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -11.703 -4.737 -11.229 1.00 0.00 H new ATOM 0 HE ARG A 43 -10.911 -6.138 -13.457 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -10.466 -8.549 -11.876 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -12.048 -9.334 -11.943 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -13.578 -6.337 -12.925 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -13.867 -8.041 -12.557 1.00 0.00 H new ATOM 667 N SER A 44 -6.848 -4.579 -13.966 1.00 0.00 N ATOM 668 CA SER A 44 -5.495 -5.209 -13.855 1.00 0.00 C ATOM 669 C SER A 44 -4.434 -4.211 -14.363 1.00 0.00 C ATOM 670 O SER A 44 -3.306 -4.239 -13.918 1.00 0.00 O ATOM 671 CB SER A 44 -5.463 -6.512 -14.695 1.00 0.00 C ATOM 672 OG SER A 44 -5.714 -6.095 -16.032 1.00 0.00 O ATOM 0 H SER A 44 -7.428 -4.894 -14.744 1.00 0.00 H new ATOM 0 HA SER A 44 -5.280 -5.459 -12.816 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.498 -7.011 -14.612 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.218 -7.220 -14.354 1.00 0.00 H new ATOM 0 HG SER A 44 -6.677 -5.968 -16.160 1.00 0.00 H new ATOM 678 N LYS A 45 -4.797 -3.351 -15.279 1.00 0.00 N ATOM 679 CA LYS A 45 -3.823 -2.338 -15.818 1.00 0.00 C ATOM 680 C LYS A 45 -3.323 -1.335 -14.736 1.00 0.00 C ATOM 681 O LYS A 45 -2.152 -1.272 -14.396 1.00 0.00 O ATOM 682 CB LYS A 45 -4.531 -1.572 -16.945 1.00 0.00 C ATOM 683 CG LYS A 45 -3.572 -0.608 -17.678 1.00 0.00 C ATOM 684 CD LYS A 45 -4.455 0.422 -18.463 1.00 0.00 C ATOM 685 CE LYS A 45 -4.607 1.755 -17.694 1.00 0.00 C ATOM 686 NZ LYS A 45 -3.314 2.524 -17.710 1.00 0.00 N ATOM 0 H LYS A 45 -5.732 -3.302 -15.684 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.939 -2.865 -16.176 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.948 -2.281 -17.659 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.367 -1.008 -16.531 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.925 -0.095 -16.966 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.923 -1.157 -18.361 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.008 0.614 -19.438 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.440 -0.008 -18.643 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.398 2.354 -18.145 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.906 1.556 -16.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.515 3.542 -17.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.725 2.230 -16.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.807 2.332 -18.597 1.00 0.00 H new ATOM 700 N TYR A 46 -4.256 -0.583 -14.211 1.00 0.00 N ATOM 701 CA TYR A 46 -3.967 0.450 -13.171 1.00 0.00 C ATOM 702 C TYR A 46 -4.635 0.183 -11.811 1.00 0.00 C ATOM 703 O TYR A 46 -5.732 0.626 -11.528 1.00 0.00 O ATOM 704 CB TYR A 46 -4.441 1.854 -13.667 1.00 0.00 C ATOM 705 CG TYR A 46 -3.366 2.850 -14.150 1.00 0.00 C ATOM 706 CD1 TYR A 46 -2.214 2.519 -14.848 1.00 0.00 C ATOM 707 CD2 TYR A 46 -3.614 4.181 -13.874 1.00 0.00 C ATOM 708 CE1 TYR A 46 -1.338 3.536 -15.261 1.00 0.00 C ATOM 709 CE2 TYR A 46 -2.750 5.169 -14.284 1.00 0.00 C ATOM 710 CZ TYR A 46 -1.609 4.868 -14.978 1.00 0.00 C ATOM 711 OH TYR A 46 -0.784 5.907 -15.367 1.00 0.00 O ATOM 0 H TYR A 46 -5.241 -0.645 -14.470 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.888 0.411 -13.021 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.145 1.700 -14.485 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.994 2.326 -12.855 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.992 1.486 -15.072 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.504 4.451 -13.325 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.442 3.279 -15.806 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -2.975 6.200 -14.055 1.00 0.00 H new ATOM 0 HH TYR A 46 -1.271 6.755 -15.299 1.00 0.00 H new ATOM 721 N GLY A 47 -3.961 -0.550 -10.979 1.00 0.00 N ATOM 722 CA GLY A 47 -4.606 -0.797 -9.651 1.00 0.00 C ATOM 723 C GLY A 47 -3.754 -1.181 -8.449 1.00 0.00 C ATOM 724 O GLY A 47 -2.932 -2.065 -8.555 1.00 0.00 O ATOM 0 H GLY A 47 -3.045 -0.971 -11.137 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -5.154 0.107 -9.384 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.343 -1.587 -9.791 1.00 0.00 H new ATOM 728 N TRP A 48 -3.929 -0.472 -7.348 1.00 0.00 N ATOM 729 CA TRP A 48 -3.211 -0.759 -6.060 1.00 0.00 C ATOM 730 C TRP A 48 -1.960 -0.112 -5.520 1.00 0.00 C ATOM 731 O TRP A 48 -0.894 -0.226 -6.077 1.00 0.00 O ATOM 732 CB TRP A 48 -2.911 -2.329 -5.930 1.00 0.00 C ATOM 733 CG TRP A 48 -4.164 -3.184 -6.245 1.00 0.00 C ATOM 734 CD1 TRP A 48 -5.336 -2.644 -6.671 1.00 0.00 C ATOM 735 CD2 TRP A 48 -4.318 -4.544 -6.162 1.00 0.00 C ATOM 736 NE1 TRP A 48 -6.126 -3.660 -6.822 1.00 0.00 N ATOM 737 CE2 TRP A 48 -5.606 -4.821 -6.541 1.00 0.00 C ATOM 738 CE3 TRP A 48 -3.573 -5.659 -5.823 1.00 0.00 C ATOM 739 CZ2 TRP A 48 -6.141 -6.077 -6.589 1.00 0.00 C ATOM 740 CZ3 TRP A 48 -4.145 -6.917 -5.877 1.00 0.00 C ATOM 741 CH2 TRP A 48 -5.410 -7.143 -6.254 1.00 0.00 C ATOM 0 H TRP A 48 -4.566 0.323 -7.293 1.00 0.00 H new ATOM 0 HA TRP A 48 -3.973 -0.251 -5.468 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -2.105 -2.602 -6.610 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -2.565 -2.550 -4.920 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -5.559 -1.602 -6.845 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -7.090 -3.558 -7.139 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -2.544 -5.547 -5.516 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -7.166 -6.209 -6.901 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -3.537 -7.765 -5.599 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -5.820 -8.142 -6.286 1.00 0.00 H new ATOM 752 N THR A 49 -2.222 0.624 -4.495 1.00 0.00 N ATOM 753 CA THR A 49 -1.190 1.347 -3.695 1.00 0.00 C ATOM 754 C THR A 49 -1.825 1.661 -2.342 1.00 0.00 C ATOM 755 O THR A 49 -3.031 1.846 -2.301 1.00 0.00 O ATOM 756 CB THR A 49 -0.720 2.632 -4.359 1.00 0.00 C ATOM 757 OG1 THR A 49 -0.416 3.609 -3.369 1.00 0.00 O ATOM 758 CG2 THR A 49 -1.743 3.222 -5.198 1.00 0.00 C ATOM 0 H THR A 49 -3.171 0.768 -4.150 1.00 0.00 H new ATOM 0 HA THR A 49 -0.304 0.719 -3.599 1.00 0.00 H new ATOM 0 HB THR A 49 0.149 2.362 -4.959 1.00 0.00 H new ATOM 0 HG1 THR A 49 -0.113 4.433 -3.805 1.00 0.00 H new ATOM 0 HG21 THR A 49 -1.360 4.137 -5.650 1.00 0.00 H new ATOM 0 HG22 THR A 49 -2.020 2.518 -5.983 1.00 0.00 H new ATOM 0 HG23 THR A 49 -2.619 3.455 -4.593 1.00 0.00 H new ATOM 766 N ALA A 50 -1.062 1.730 -1.289 1.00 0.00 N ATOM 767 CA ALA A 50 -1.674 2.050 0.041 1.00 0.00 C ATOM 768 C ALA A 50 -0.866 3.245 0.562 1.00 0.00 C ATOM 769 O ALA A 50 0.350 3.179 0.495 1.00 0.00 O ATOM 770 CB ALA A 50 -1.532 0.821 0.944 1.00 0.00 C ATOM 0 H ALA A 50 -0.053 1.582 -1.284 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.735 2.294 -0.002 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.972 1.033 1.919 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.047 -0.026 0.490 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.476 0.580 1.067 1.00 0.00 H new ATOM 776 N PHE A 51 -1.479 4.297 1.045 1.00 0.00 N ATOM 777 CA PHE A 51 -0.601 5.412 1.531 1.00 0.00 C ATOM 778 C PHE A 51 -0.944 5.983 2.900 1.00 0.00 C ATOM 779 O PHE A 51 -2.088 6.267 3.188 1.00 0.00 O ATOM 780 CB PHE A 51 -0.627 6.566 0.494 1.00 0.00 C ATOM 781 CG PHE A 51 0.618 7.386 0.852 1.00 0.00 C ATOM 782 CD1 PHE A 51 1.829 7.059 0.282 1.00 0.00 C ATOM 783 CD2 PHE A 51 0.557 8.418 1.764 1.00 0.00 C ATOM 784 CE1 PHE A 51 2.971 7.752 0.619 1.00 0.00 C ATOM 785 CE2 PHE A 51 1.695 9.106 2.099 1.00 0.00 C ATOM 786 CZ PHE A 51 2.901 8.775 1.532 1.00 0.00 C ATOM 0 H PHE A 51 -2.487 4.434 1.123 1.00 0.00 H new ATOM 0 HA PHE A 51 0.386 4.964 1.642 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.581 6.190 -0.528 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.537 7.160 0.575 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.883 6.253 -0.435 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -0.387 8.685 2.215 1.00 0.00 H new ATOM 0 HE1 PHE A 51 3.917 7.492 0.167 1.00 0.00 H new ATOM 0 HE2 PHE A 51 1.642 9.914 2.814 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.794 9.319 1.804 1.00 0.00 H new ATOM 796 N CYS A 52 0.047 6.145 3.733 1.00 0.00 N ATOM 797 CA CYS A 52 -0.224 6.720 5.099 1.00 0.00 C ATOM 798 C CYS A 52 1.082 7.287 5.703 1.00 0.00 C ATOM 799 O CYS A 52 1.427 7.106 6.854 1.00 0.00 O ATOM 800 CB CYS A 52 -0.825 5.610 5.984 1.00 0.00 C ATOM 801 SG CYS A 52 -1.473 6.141 7.590 1.00 0.00 S ATOM 0 H CYS A 52 1.021 5.911 3.540 1.00 0.00 H new ATOM 0 HA CYS A 52 -0.935 7.544 5.034 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -1.631 5.127 5.431 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -0.059 4.854 6.155 1.00 0.00 H new ATOM 806 N GLY A 53 1.778 7.986 4.856 1.00 0.00 N ATOM 807 CA GLY A 53 3.075 8.607 5.276 1.00 0.00 C ATOM 808 C GLY A 53 3.006 10.136 5.285 1.00 0.00 C ATOM 809 O GLY A 53 2.064 10.729 4.797 1.00 0.00 O ATOM 0 H GLY A 53 1.510 8.158 3.887 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.341 8.251 6.271 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.867 8.284 4.600 1.00 0.00 H new ATOM 813 N PRO A 54 4.021 10.744 5.843 1.00 0.00 N ATOM 814 CA PRO A 54 3.996 12.200 6.158 1.00 0.00 C ATOM 815 C PRO A 54 3.825 13.106 4.916 1.00 0.00 C ATOM 816 O PRO A 54 2.956 13.954 4.848 1.00 0.00 O ATOM 817 CB PRO A 54 5.326 12.399 6.935 1.00 0.00 C ATOM 818 CG PRO A 54 6.256 11.289 6.359 1.00 0.00 C ATOM 819 CD PRO A 54 5.310 10.087 6.221 1.00 0.00 C ATOM 0 HA PRO A 54 3.127 12.500 6.744 1.00 0.00 H new ATOM 0 HB2 PRO A 54 5.741 13.394 6.772 1.00 0.00 H new ATOM 0 HB3 PRO A 54 5.184 12.285 8.010 1.00 0.00 H new ATOM 0 HG2 PRO A 54 6.684 11.578 5.399 1.00 0.00 H new ATOM 0 HG3 PRO A 54 7.089 11.073 7.028 1.00 0.00 H new ATOM 0 HD2 PRO A 54 5.650 9.387 5.458 1.00 0.00 H new ATOM 0 HD3 PRO A 54 5.224 9.527 7.152 1.00 0.00 H new ATOM 827 N ALA A 55 4.647 12.901 3.928 1.00 0.00 N ATOM 828 CA ALA A 55 4.562 13.743 2.692 1.00 0.00 C ATOM 829 C ALA A 55 3.585 13.177 1.621 1.00 0.00 C ATOM 830 O ALA A 55 3.900 13.061 0.448 1.00 0.00 O ATOM 831 CB ALA A 55 6.033 13.862 2.204 1.00 0.00 C ATOM 0 H ALA A 55 5.376 12.188 3.917 1.00 0.00 H new ATOM 0 HA ALA A 55 4.129 14.722 2.896 1.00 0.00 H new ATOM 0 HB1 ALA A 55 6.068 14.466 1.297 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.636 14.335 2.979 1.00 0.00 H new ATOM 0 HB3 ALA A 55 6.428 12.868 1.993 1.00 0.00 H new ATOM 837 N GLY A 56 2.402 12.854 2.089 1.00 0.00 N ATOM 838 CA GLY A 56 1.325 12.295 1.188 1.00 0.00 C ATOM 839 C GLY A 56 -0.136 12.737 1.448 1.00 0.00 C ATOM 840 O GLY A 56 -0.939 11.899 1.820 1.00 0.00 O ATOM 0 H GLY A 56 2.128 12.953 3.066 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.577 12.559 0.161 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.363 11.208 1.256 1.00 0.00 H new ATOM 844 N PRO A 57 -0.463 13.993 1.258 1.00 0.00 N ATOM 845 CA PRO A 57 -1.833 14.475 1.583 1.00 0.00 C ATOM 846 C PRO A 57 -2.948 13.664 0.868 1.00 0.00 C ATOM 847 O PRO A 57 -3.245 13.868 -0.297 1.00 0.00 O ATOM 848 CB PRO A 57 -1.818 15.979 1.202 1.00 0.00 C ATOM 849 CG PRO A 57 -0.439 16.264 0.517 1.00 0.00 C ATOM 850 CD PRO A 57 0.453 15.018 0.714 1.00 0.00 C ATOM 0 HA PRO A 57 -2.075 14.334 2.636 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.640 16.214 0.526 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.945 16.602 2.087 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -0.575 16.472 -0.544 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.031 17.144 0.956 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.897 14.695 -0.227 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.274 15.222 1.401 1.00 0.00 H new ATOM 858 N ARG A 58 -3.533 12.753 1.612 1.00 0.00 N ATOM 859 CA ARG A 58 -4.643 11.850 1.139 1.00 0.00 C ATOM 860 C ARG A 58 -5.740 11.630 2.232 1.00 0.00 C ATOM 861 O ARG A 58 -5.715 12.204 3.303 1.00 0.00 O ATOM 862 CB ARG A 58 -3.933 10.506 0.649 1.00 0.00 C ATOM 863 CG ARG A 58 -4.387 9.160 1.369 1.00 0.00 C ATOM 864 CD ARG A 58 -3.804 9.053 2.787 1.00 0.00 C ATOM 865 NE ARG A 58 -4.855 8.615 3.797 1.00 0.00 N ATOM 866 CZ ARG A 58 -4.791 9.061 5.003 1.00 0.00 C ATOM 867 NH1 ARG A 58 -3.655 9.215 5.561 1.00 0.00 N ATOM 868 NH2 ARG A 58 -5.880 9.326 5.601 1.00 0.00 N ATOM 0 H ARG A 58 -3.271 12.589 2.584 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.202 12.296 0.317 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.110 10.397 -0.421 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.857 10.619 0.784 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.475 9.122 1.419 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -4.065 8.303 0.777 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.979 8.341 2.788 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -3.393 10.017 3.085 1.00 0.00 H new ATOM 0 HE ARG A 58 -5.601 7.976 3.522 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.801 8.985 5.052 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.600 9.568 6.516 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.771 9.184 5.125 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.864 9.681 6.557 1.00 0.00 H new ATOM 882 N GLY A 59 -6.666 10.783 1.881 1.00 0.00 N ATOM 883 CA GLY A 59 -7.845 10.376 2.712 1.00 0.00 C ATOM 884 C GLY A 59 -9.096 10.469 1.834 1.00 0.00 C ATOM 885 O GLY A 59 -9.216 9.744 0.871 1.00 0.00 O ATOM 0 H GLY A 59 -6.651 10.317 0.974 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.716 9.360 3.085 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.941 11.026 3.582 1.00 0.00 H new ATOM 889 N GLN A 60 -9.994 11.351 2.170 1.00 0.00 N ATOM 890 CA GLN A 60 -11.266 11.521 1.368 1.00 0.00 C ATOM 891 C GLN A 60 -11.084 11.392 -0.180 1.00 0.00 C ATOM 892 O GLN A 60 -11.522 10.462 -0.827 1.00 0.00 O ATOM 893 CB GLN A 60 -11.862 12.915 1.739 1.00 0.00 C ATOM 894 CG GLN A 60 -12.017 13.051 3.293 1.00 0.00 C ATOM 895 CD GLN A 60 -12.876 14.262 3.637 1.00 0.00 C ATOM 896 OE1 GLN A 60 -12.441 15.272 4.145 1.00 0.00 O ATOM 897 NE2 GLN A 60 -14.139 14.221 3.376 1.00 0.00 N ATOM 0 H GLN A 60 -9.912 11.975 2.973 1.00 0.00 H new ATOM 0 HA GLN A 60 -11.939 10.704 1.628 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -11.214 13.706 1.362 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -12.832 13.042 1.259 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -12.471 12.148 3.700 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -11.035 13.150 3.756 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -14.545 13.389 2.948 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -14.732 15.021 3.597 1.00 0.00 H new ATOM 906 N ALA A 61 -10.408 12.358 -0.735 1.00 0.00 N ATOM 907 CA ALA A 61 -10.138 12.407 -2.203 1.00 0.00 C ATOM 908 C ALA A 61 -8.822 11.665 -2.536 1.00 0.00 C ATOM 909 O ALA A 61 -7.871 12.217 -3.064 1.00 0.00 O ATOM 910 CB ALA A 61 -10.096 13.895 -2.582 1.00 0.00 C ATOM 0 H ALA A 61 -10.017 13.144 -0.215 1.00 0.00 H new ATOM 0 HA ALA A 61 -10.911 11.901 -2.781 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -9.901 13.993 -3.650 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -11.054 14.358 -2.344 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -9.304 14.391 -2.021 1.00 0.00 H new ATOM 916 N ALA A 62 -8.858 10.415 -2.175 1.00 0.00 N ATOM 917 CA ALA A 62 -7.698 9.487 -2.403 1.00 0.00 C ATOM 918 C ALA A 62 -8.060 8.452 -3.476 1.00 0.00 C ATOM 919 O ALA A 62 -7.252 8.230 -4.353 1.00 0.00 O ATOM 920 CB ALA A 62 -7.366 8.844 -1.056 1.00 0.00 C ATOM 0 H ALA A 62 -9.660 9.979 -1.719 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.820 10.017 -2.773 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.526 8.160 -1.177 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.102 9.620 -0.338 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -8.233 8.293 -0.692 1.00 0.00 H new ATOM 926 N CYS A 63 -9.237 7.885 -3.404 1.00 0.00 N ATOM 927 CA CYS A 63 -9.687 6.867 -4.409 1.00 0.00 C ATOM 928 C CYS A 63 -10.141 7.699 -5.640 1.00 0.00 C ATOM 929 O CYS A 63 -11.280 7.704 -6.052 1.00 0.00 O ATOM 930 CB CYS A 63 -10.859 6.070 -3.798 1.00 0.00 C ATOM 931 SG CYS A 63 -11.322 4.620 -4.765 1.00 0.00 S ATOM 0 H CYS A 63 -9.922 8.088 -2.676 1.00 0.00 H new ATOM 0 HA CYS A 63 -8.915 6.150 -4.690 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -10.587 5.754 -2.791 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -11.724 6.726 -3.704 1.00 0.00 H new ATOM 936 N GLY A 64 -9.175 8.387 -6.181 1.00 0.00 N ATOM 937 CA GLY A 64 -9.326 9.290 -7.374 1.00 0.00 C ATOM 938 C GLY A 64 -7.981 9.905 -7.801 1.00 0.00 C ATOM 939 O GLY A 64 -7.888 10.510 -8.848 1.00 0.00 O ATOM 0 H GLY A 64 -8.220 8.360 -5.822 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.748 8.726 -8.206 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -10.032 10.087 -7.139 1.00 0.00 H new ATOM 943 N LYS A 65 -6.977 9.732 -6.975 1.00 0.00 N ATOM 944 CA LYS A 65 -5.607 10.268 -7.261 1.00 0.00 C ATOM 945 C LYS A 65 -4.667 9.089 -7.536 1.00 0.00 C ATOM 946 O LYS A 65 -4.978 7.946 -7.252 1.00 0.00 O ATOM 947 CB LYS A 65 -5.032 11.025 -6.041 1.00 0.00 C ATOM 948 CG LYS A 65 -5.715 12.369 -5.796 1.00 0.00 C ATOM 949 CD LYS A 65 -4.950 13.037 -4.619 1.00 0.00 C ATOM 950 CE LYS A 65 -5.434 14.453 -4.464 1.00 0.00 C ATOM 951 NZ LYS A 65 -4.720 15.074 -3.300 1.00 0.00 N ATOM 0 H LYS A 65 -7.052 9.228 -6.091 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.682 10.945 -8.112 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.137 10.403 -5.152 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.965 11.188 -6.192 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.677 12.993 -6.689 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.767 12.231 -5.548 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.115 12.479 -3.697 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -3.877 13.024 -4.811 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -5.241 15.021 -5.374 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.512 14.469 -4.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -5.043 16.055 -3.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.926 14.532 -2.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -3.695 15.066 -3.477 1.00 0.00 H new ATOM 965 N CYS A 66 -3.521 9.392 -8.083 1.00 0.00 N ATOM 966 CA CYS A 66 -2.540 8.314 -8.374 1.00 0.00 C ATOM 967 C CYS A 66 -1.182 8.685 -7.720 1.00 0.00 C ATOM 968 O CYS A 66 -0.944 9.788 -7.262 1.00 0.00 O ATOM 969 CB CYS A 66 -2.494 8.178 -9.918 1.00 0.00 C ATOM 970 SG CYS A 66 -3.705 7.030 -10.643 1.00 0.00 S ATOM 0 H CYS A 66 -3.225 10.334 -8.339 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.810 7.345 -7.955 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -2.648 9.164 -10.356 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -1.494 7.853 -10.206 1.00 0.00 H new ATOM 975 N LEU A 67 -0.297 7.738 -7.668 1.00 0.00 N ATOM 976 CA LEU A 67 1.065 7.948 -7.061 1.00 0.00 C ATOM 977 C LEU A 67 2.175 7.473 -8.025 1.00 0.00 C ATOM 978 O LEU A 67 2.003 6.434 -8.627 1.00 0.00 O ATOM 979 CB LEU A 67 1.060 7.142 -5.726 1.00 0.00 C ATOM 980 CG LEU A 67 1.654 7.937 -4.559 1.00 0.00 C ATOM 981 CD1 LEU A 67 1.439 7.091 -3.281 1.00 0.00 C ATOM 982 CD2 LEU A 67 3.174 8.119 -4.791 1.00 0.00 C ATOM 0 H LEU A 67 -0.454 6.796 -8.028 1.00 0.00 H new ATOM 0 HA LEU A 67 1.272 9.002 -6.874 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.037 6.855 -5.482 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.627 6.220 -5.859 1.00 0.00 H new ATOM 0 HG LEU A 67 1.184 8.916 -4.470 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.848 7.621 -2.421 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.372 6.924 -3.130 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.944 6.132 -3.391 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.603 8.684 -3.964 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.653 7.142 -4.850 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.338 8.660 -5.723 1.00 0.00 H new ATOM 994 N ARG A 68 3.260 8.177 -8.189 1.00 0.00 N ATOM 995 CA ARG A 68 4.311 7.671 -9.118 1.00 0.00 C ATOM 996 C ARG A 68 5.430 7.086 -8.242 1.00 0.00 C ATOM 997 O ARG A 68 5.825 7.667 -7.245 1.00 0.00 O ATOM 998 CB ARG A 68 4.882 8.805 -9.987 1.00 0.00 C ATOM 999 CG ARG A 68 6.111 8.214 -10.749 1.00 0.00 C ATOM 1000 CD ARG A 68 6.483 9.087 -11.912 1.00 0.00 C ATOM 1001 NE ARG A 68 5.389 8.827 -12.907 1.00 0.00 N ATOM 1002 CZ ARG A 68 4.673 9.734 -13.439 1.00 0.00 C ATOM 1003 NH1 ARG A 68 5.186 10.878 -13.662 1.00 0.00 N ATOM 1004 NH2 ARG A 68 3.460 9.439 -13.723 1.00 0.00 N ATOM 0 H ARG A 68 3.464 9.065 -7.730 1.00 0.00 H new ATOM 0 HA ARG A 68 3.888 6.925 -9.791 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.132 9.170 -10.688 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.181 9.652 -9.370 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.958 8.125 -10.069 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.878 7.209 -11.102 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.526 10.138 -11.628 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.462 8.825 -12.314 1.00 0.00 H new ATOM 0 HE ARG A 68 5.208 7.859 -13.174 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.159 11.058 -13.415 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.624 11.615 -14.088 1.00 0.00 H new ATOM 0 HH21 ARG A 68 3.102 8.506 -13.522 1.00 0.00 H new ATOM 0 HH22 ARG A 68 2.852 10.137 -14.151 1.00 0.00 H new ATOM 1018 N VAL A 69 5.897 5.945 -8.674 1.00 0.00 N ATOM 1019 CA VAL A 69 6.982 5.244 -7.941 1.00 0.00 C ATOM 1020 C VAL A 69 8.124 4.887 -8.910 1.00 0.00 C ATOM 1021 O VAL A 69 7.896 4.406 -10.009 1.00 0.00 O ATOM 1022 CB VAL A 69 6.421 3.957 -7.309 1.00 0.00 C ATOM 1023 CG1 VAL A 69 7.494 3.370 -6.368 1.00 0.00 C ATOM 1024 CG2 VAL A 69 5.115 4.231 -6.531 1.00 0.00 C ATOM 0 H VAL A 69 5.567 5.467 -9.512 1.00 0.00 H new ATOM 0 HA VAL A 69 7.369 5.898 -7.159 1.00 0.00 H new ATOM 0 HB VAL A 69 6.180 3.246 -8.099 1.00 0.00 H new ATOM 0 HG11 VAL A 69 7.115 2.456 -5.910 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.394 3.143 -6.939 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.731 4.095 -5.590 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.747 3.301 -6.098 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.310 4.949 -5.735 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.365 4.637 -7.210 1.00 0.00 H new ATOM 1034 N THR A 70 9.305 5.160 -8.414 1.00 0.00 N ATOM 1035 CA THR A 70 10.590 4.893 -9.169 1.00 0.00 C ATOM 1036 C THR A 70 11.594 4.104 -8.306 1.00 0.00 C ATOM 1037 O THR A 70 11.652 4.303 -7.106 1.00 0.00 O ATOM 1038 CB THR A 70 11.217 6.236 -9.590 1.00 0.00 C ATOM 1039 OG1 THR A 70 10.491 6.642 -10.744 1.00 0.00 O ATOM 1040 CG2 THR A 70 12.671 6.047 -10.089 1.00 0.00 C ATOM 0 H THR A 70 9.445 5.569 -7.490 1.00 0.00 H new ATOM 0 HA THR A 70 10.355 4.293 -10.048 1.00 0.00 H new ATOM 0 HB THR A 70 11.196 6.929 -8.749 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.841 7.499 -11.066 1.00 0.00 H new ATOM 0 HG21 THR A 70 13.085 7.013 -10.378 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.277 5.617 -9.291 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.676 5.378 -10.949 1.00 0.00 H new ATOM 1048 N ASN A 71 12.367 3.243 -8.923 1.00 0.00 N ATOM 1049 CA ASN A 71 13.384 2.410 -8.191 1.00 0.00 C ATOM 1050 C ASN A 71 14.904 2.576 -8.559 1.00 0.00 C ATOM 1051 O ASN A 71 15.375 1.892 -9.456 1.00 0.00 O ATOM 1052 CB ASN A 71 12.899 0.972 -8.399 1.00 0.00 C ATOM 1053 CG ASN A 71 13.912 -0.002 -7.825 1.00 0.00 C ATOM 1054 OD1 ASN A 71 14.632 0.280 -6.895 1.00 0.00 O ATOM 1055 ND2 ASN A 71 14.043 -1.180 -8.306 1.00 0.00 N ATOM 0 H ASN A 71 12.337 3.076 -9.929 1.00 0.00 H new ATOM 0 HA ASN A 71 13.415 2.748 -7.155 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.932 0.831 -7.916 1.00 0.00 H new ATOM 0 HB3 ASN A 71 12.756 0.777 -9.462 1.00 0.00 H new ATOM 0 HD21 ASN A 71 14.726 -1.822 -7.904 1.00 0.00 H new ATOM 0 HD22 ASN A 71 13.464 -1.478 -9.091 1.00 0.00 H new ATOM 1062 N PRO A 72 15.633 3.449 -7.881 1.00 0.00 N ATOM 1063 CA PRO A 72 17.020 3.831 -8.303 1.00 0.00 C ATOM 1064 C PRO A 72 17.850 2.592 -8.742 1.00 0.00 C ATOM 1065 O PRO A 72 18.552 2.626 -9.729 1.00 0.00 O ATOM 1066 CB PRO A 72 17.630 4.558 -7.089 1.00 0.00 C ATOM 1067 CG PRO A 72 16.541 4.568 -5.974 1.00 0.00 C ATOM 1068 CD PRO A 72 15.208 4.134 -6.624 1.00 0.00 C ATOM 0 HA PRO A 72 17.015 4.478 -9.180 1.00 0.00 H new ATOM 0 HB2 PRO A 72 18.530 4.048 -6.745 1.00 0.00 H new ATOM 0 HB3 PRO A 72 17.921 5.574 -7.354 1.00 0.00 H new ATOM 0 HG2 PRO A 72 16.813 3.889 -5.166 1.00 0.00 H new ATOM 0 HG3 PRO A 72 16.449 5.562 -5.537 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.645 3.464 -5.974 1.00 0.00 H new ATOM 0 HD3 PRO A 72 14.567 4.990 -6.832 1.00 0.00 H new ATOM 1076 N ALA A 73 17.737 1.534 -7.970 1.00 0.00 N ATOM 1077 CA ALA A 73 18.457 0.238 -8.230 1.00 0.00 C ATOM 1078 C ALA A 73 18.458 -0.203 -9.711 1.00 0.00 C ATOM 1079 O ALA A 73 19.477 -0.590 -10.246 1.00 0.00 O ATOM 1080 CB ALA A 73 17.797 -0.866 -7.362 1.00 0.00 C ATOM 0 H ALA A 73 17.151 1.515 -7.135 1.00 0.00 H new ATOM 0 HA ALA A 73 19.503 0.395 -7.968 1.00 0.00 H new ATOM 0 HB1 ALA A 73 18.303 -1.816 -7.534 1.00 0.00 H new ATOM 0 HB2 ALA A 73 17.878 -0.598 -6.309 1.00 0.00 H new ATOM 0 HB3 ALA A 73 16.745 -0.961 -7.632 1.00 0.00 H new ATOM 1086 N THR A 74 17.305 -0.131 -10.325 1.00 0.00 N ATOM 1087 CA THR A 74 17.187 -0.546 -11.770 1.00 0.00 C ATOM 1088 C THR A 74 17.013 0.660 -12.671 1.00 0.00 C ATOM 1089 O THR A 74 17.475 0.682 -13.793 1.00 0.00 O ATOM 1090 CB THR A 74 15.956 -1.471 -11.995 1.00 0.00 C ATOM 1091 OG1 THR A 74 14.810 -0.645 -11.820 1.00 0.00 O ATOM 1092 CG2 THR A 74 15.794 -2.473 -10.864 1.00 0.00 C ATOM 0 H THR A 74 16.439 0.195 -9.897 1.00 0.00 H new ATOM 0 HA THR A 74 18.108 -1.076 -12.014 1.00 0.00 H new ATOM 0 HB THR A 74 16.071 -1.963 -12.961 1.00 0.00 H new ATOM 0 HG1 THR A 74 14.066 -1.185 -11.479 1.00 0.00 H new ATOM 0 HG21 THR A 74 14.924 -3.101 -11.056 1.00 0.00 H new ATOM 0 HG22 THR A 74 16.685 -3.097 -10.800 1.00 0.00 H new ATOM 0 HG23 THR A 74 15.656 -1.940 -9.923 1.00 0.00 H new ATOM 1100 N GLY A 75 16.326 1.626 -12.126 1.00 0.00 N ATOM 1101 CA GLY A 75 16.045 2.892 -12.863 1.00 0.00 C ATOM 1102 C GLY A 75 14.607 2.824 -13.359 1.00 0.00 C ATOM 1103 O GLY A 75 14.129 3.768 -13.946 1.00 0.00 O ATOM 0 H GLY A 75 15.940 1.591 -11.183 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.185 3.754 -12.211 1.00 0.00 H new ATOM 0 HA3 GLY A 75 16.734 3.010 -13.700 1.00 0.00 H new ATOM 1107 N ALA A 76 13.944 1.723 -13.112 1.00 0.00 N ATOM 1108 CA ALA A 76 12.531 1.559 -13.566 1.00 0.00 C ATOM 1109 C ALA A 76 11.519 2.325 -12.698 1.00 0.00 C ATOM 1110 O ALA A 76 11.768 2.684 -11.563 1.00 0.00 O ATOM 1111 CB ALA A 76 12.196 0.052 -13.543 1.00 0.00 C ATOM 0 H ALA A 76 14.327 0.922 -12.609 1.00 0.00 H new ATOM 0 HA ALA A 76 12.450 1.977 -14.569 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.167 -0.097 -13.871 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.871 -0.481 -14.212 1.00 0.00 H new ATOM 0 HB3 ALA A 76 12.313 -0.331 -12.529 1.00 0.00 H new ATOM 1117 N GLN A 77 10.385 2.553 -13.289 1.00 0.00 N ATOM 1118 CA GLN A 77 9.293 3.283 -12.591 1.00 0.00 C ATOM 1119 C GLN A 77 7.925 2.839 -13.139 1.00 0.00 C ATOM 1120 O GLN A 77 7.843 2.235 -14.194 1.00 0.00 O ATOM 1121 CB GLN A 77 9.564 4.806 -12.810 1.00 0.00 C ATOM 1122 CG GLN A 77 9.359 5.228 -14.315 1.00 0.00 C ATOM 1123 CD GLN A 77 7.877 5.338 -14.685 1.00 0.00 C ATOM 1124 OE1 GLN A 77 7.459 5.333 -15.817 1.00 0.00 O ATOM 1125 NE2 GLN A 77 6.986 5.456 -13.759 1.00 0.00 N ATOM 0 H GLN A 77 10.163 2.261 -14.241 1.00 0.00 H new ATOM 0 HA GLN A 77 9.272 3.067 -11.523 1.00 0.00 H new ATOM 0 HB2 GLN A 77 8.896 5.389 -12.175 1.00 0.00 H new ATOM 0 HB3 GLN A 77 10.583 5.042 -12.502 1.00 0.00 H new ATOM 0 HG2 GLN A 77 9.849 6.185 -14.493 1.00 0.00 H new ATOM 0 HG3 GLN A 77 9.841 4.498 -14.965 1.00 0.00 H new ATOM 0 HE21 GLN A 77 7.268 5.468 -12.779 1.00 0.00 H new ATOM 0 HE22 GLN A 77 6.000 5.537 -14.007 1.00 0.00 H new ATOM 1134 N ILE A 78 6.935 3.160 -12.359 1.00 0.00 N ATOM 1135 CA ILE A 78 5.507 2.860 -12.669 1.00 0.00 C ATOM 1136 C ILE A 78 4.554 3.890 -11.974 1.00 0.00 C ATOM 1137 O ILE A 78 4.999 4.726 -11.203 1.00 0.00 O ATOM 1138 CB ILE A 78 5.316 1.437 -12.181 1.00 0.00 C ATOM 1139 CG1 ILE A 78 4.289 0.680 -13.046 1.00 0.00 C ATOM 1140 CG2 ILE A 78 4.929 1.403 -10.699 1.00 0.00 C ATOM 1141 CD1 ILE A 78 5.008 0.170 -14.332 1.00 0.00 C ATOM 0 H ILE A 78 7.064 3.644 -11.471 1.00 0.00 H new ATOM 0 HA ILE A 78 5.265 2.947 -13.728 1.00 0.00 H new ATOM 0 HB ILE A 78 6.272 0.924 -12.283 1.00 0.00 H new ATOM 0 HG12 ILE A 78 3.869 -0.158 -12.489 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.459 1.336 -13.310 1.00 0.00 H new ATOM 0 HG21 ILE A 78 4.800 0.369 -10.380 1.00 0.00 H new ATOM 0 HG22 ILE A 78 5.716 1.869 -10.107 1.00 0.00 H new ATOM 0 HG23 ILE A 78 3.996 1.947 -10.554 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.296 -0.369 -14.957 1.00 0.00 H new ATOM 0 HD12 ILE A 78 5.408 1.019 -14.886 1.00 0.00 H new ATOM 0 HD13 ILE A 78 5.823 -0.497 -14.053 1.00 0.00 H new ATOM 1153 N THR A 79 3.277 3.780 -12.262 1.00 0.00 N ATOM 1154 CA THR A 79 2.218 4.695 -11.656 1.00 0.00 C ATOM 1155 C THR A 79 1.272 3.784 -10.839 1.00 0.00 C ATOM 1156 O THR A 79 0.790 2.798 -11.364 1.00 0.00 O ATOM 1157 CB THR A 79 1.291 5.413 -12.712 1.00 0.00 C ATOM 1158 OG1 THR A 79 2.007 6.405 -13.435 1.00 0.00 O ATOM 1159 CG2 THR A 79 0.190 6.272 -12.068 1.00 0.00 C ATOM 0 H THR A 79 2.903 3.082 -12.905 1.00 0.00 H new ATOM 0 HA THR A 79 2.747 5.464 -11.092 1.00 0.00 H new ATOM 0 HB THR A 79 0.904 4.587 -13.309 1.00 0.00 H new ATOM 0 HG1 THR A 79 1.409 6.833 -14.083 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.412 6.738 -12.849 1.00 0.00 H new ATOM 0 HG22 THR A 79 -0.446 5.642 -11.447 1.00 0.00 H new ATOM 0 HG23 THR A 79 0.647 7.046 -11.451 1.00 0.00 H new ATOM 1167 N ALA A 80 0.997 4.090 -9.596 1.00 0.00 N ATOM 1168 CA ALA A 80 0.076 3.215 -8.784 1.00 0.00 C ATOM 1169 C ALA A 80 -1.209 4.008 -8.527 1.00 0.00 C ATOM 1170 O ALA A 80 -1.143 5.217 -8.438 1.00 0.00 O ATOM 1171 CB ALA A 80 0.713 2.831 -7.448 1.00 0.00 C ATOM 0 H ALA A 80 1.366 4.904 -9.104 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.129 2.294 -9.331 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.025 2.200 -6.885 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.639 2.286 -7.630 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.929 3.733 -6.875 1.00 0.00 H new ATOM 1177 N ARG A 81 -2.334 3.350 -8.388 1.00 0.00 N ATOM 1178 CA ARG A 81 -3.584 4.114 -8.166 1.00 0.00 C ATOM 1179 C ARG A 81 -3.946 4.144 -6.673 1.00 0.00 C ATOM 1180 O ARG A 81 -4.446 3.150 -6.188 1.00 0.00 O ATOM 1181 CB ARG A 81 -4.573 3.381 -9.086 1.00 0.00 C ATOM 1182 CG ARG A 81 -4.026 3.162 -10.546 1.00 0.00 C ATOM 1183 CD ARG A 81 -2.616 2.434 -10.783 1.00 0.00 C ATOM 1184 NE ARG A 81 -2.505 1.173 -9.930 1.00 0.00 N ATOM 1185 CZ ARG A 81 -1.420 0.509 -9.685 1.00 0.00 C ATOM 1186 NH1 ARG A 81 -0.575 0.404 -10.620 1.00 0.00 N ATOM 1187 NH2 ARG A 81 -1.210 -0.026 -8.550 1.00 0.00 N ATOM 0 H ARG A 81 -2.434 2.335 -8.419 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.545 5.176 -8.410 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.816 2.413 -8.648 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -5.501 3.950 -9.136 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.779 2.592 -11.090 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -3.966 4.143 -11.018 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -2.508 2.176 -11.837 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.803 3.117 -10.537 1.00 0.00 H new ATOM 0 HE ARG A 81 -3.367 0.820 -9.514 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.761 0.834 -11.526 1.00 0.00 H new ATOM 0 HH12 ARG A 81 0.292 -0.111 -10.468 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -1.904 0.063 -7.808 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -0.347 -0.544 -8.382 1.00 0.00 H new ATOM 1201 N ILE A 82 -3.639 5.251 -6.018 1.00 0.00 N ATOM 1202 CA ILE A 82 -3.918 5.480 -4.535 1.00 0.00 C ATOM 1203 C ILE A 82 -5.254 4.839 -4.085 1.00 0.00 C ATOM 1204 O ILE A 82 -6.286 5.428 -4.324 1.00 0.00 O ATOM 1205 CB ILE A 82 -3.961 7.027 -4.221 1.00 0.00 C ATOM 1206 CG1 ILE A 82 -2.587 7.704 -4.589 1.00 0.00 C ATOM 1207 CG2 ILE A 82 -4.254 7.231 -2.697 1.00 0.00 C ATOM 1208 CD1 ILE A 82 -2.457 9.145 -4.005 1.00 0.00 C ATOM 0 H ILE A 82 -3.185 6.046 -6.467 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.108 5.004 -3.983 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.747 7.490 -4.818 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.770 7.088 -4.214 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.484 7.744 -5.673 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.285 8.297 -2.472 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.214 6.779 -2.447 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.467 6.759 -2.109 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.492 9.566 -4.288 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -3.257 9.771 -4.401 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.531 9.105 -2.918 1.00 0.00 H new ATOM 1220 N VAL A 83 -5.240 3.682 -3.465 1.00 0.00 N ATOM 1221 CA VAL A 83 -6.527 3.033 -3.020 1.00 0.00 C ATOM 1222 C VAL A 83 -6.651 2.690 -1.519 1.00 0.00 C ATOM 1223 O VAL A 83 -7.660 2.987 -0.917 1.00 0.00 O ATOM 1224 CB VAL A 83 -6.694 1.767 -3.914 1.00 0.00 C ATOM 1225 CG1 VAL A 83 -7.662 0.724 -3.293 1.00 0.00 C ATOM 1226 CG2 VAL A 83 -7.305 2.225 -5.256 1.00 0.00 C ATOM 0 H VAL A 83 -4.395 3.155 -3.245 1.00 0.00 H new ATOM 0 HA VAL A 83 -7.329 3.761 -3.144 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.716 1.299 -4.026 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.742 -0.138 -3.956 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.278 0.402 -2.325 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -8.646 1.174 -3.162 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.436 1.362 -5.909 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -8.272 2.693 -5.074 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.638 2.943 -5.733 1.00 0.00 H new ATOM 1236 N ASP A 84 -5.646 2.094 -0.941 1.00 0.00 N ATOM 1237 CA ASP A 84 -5.707 1.727 0.513 1.00 0.00 C ATOM 1238 C ASP A 84 -4.902 2.760 1.415 1.00 0.00 C ATOM 1239 O ASP A 84 -4.269 3.694 0.955 1.00 0.00 O ATOM 1240 CB ASP A 84 -5.177 0.250 0.478 1.00 0.00 C ATOM 1241 CG ASP A 84 -4.821 -0.337 1.838 1.00 0.00 C ATOM 1242 OD1 ASP A 84 -5.589 -0.062 2.748 1.00 0.00 O ATOM 1243 OD2 ASP A 84 -3.811 -1.026 1.840 1.00 0.00 O ATOM 0 H ASP A 84 -4.777 1.841 -1.411 1.00 0.00 H new ATOM 0 HA ASP A 84 -6.689 1.779 0.983 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -5.934 -0.381 0.013 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -4.294 0.211 -0.160 1.00 0.00 H new ATOM 1248 N GLN A 85 -4.945 2.580 2.704 1.00 0.00 N ATOM 1249 CA GLN A 85 -4.241 3.478 3.677 1.00 0.00 C ATOM 1250 C GLN A 85 -3.264 2.685 4.591 1.00 0.00 C ATOM 1251 O GLN A 85 -2.463 1.870 4.161 1.00 0.00 O ATOM 1252 CB GLN A 85 -5.436 4.213 4.394 1.00 0.00 C ATOM 1253 CG GLN A 85 -4.983 5.621 4.929 1.00 0.00 C ATOM 1254 CD GLN A 85 -6.161 6.479 5.419 1.00 0.00 C ATOM 1255 OE1 GLN A 85 -6.886 7.112 4.674 1.00 0.00 O ATOM 1256 NE2 GLN A 85 -6.407 6.559 6.683 1.00 0.00 N ATOM 0 H GLN A 85 -5.459 1.818 3.146 1.00 0.00 H new ATOM 0 HA GLN A 85 -3.562 4.205 3.231 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -6.266 4.333 3.698 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -5.800 3.604 5.222 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -4.275 5.484 5.746 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -4.456 6.153 4.137 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -5.828 6.047 7.349 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -7.181 7.134 7.017 1.00 0.00 H new ATOM 1265 N CYS A 86 -3.387 3.000 5.840 1.00 0.00 N ATOM 1266 CA CYS A 86 -2.572 2.379 6.934 1.00 0.00 C ATOM 1267 C CYS A 86 -3.188 1.078 7.489 1.00 0.00 C ATOM 1268 O CYS A 86 -3.931 1.081 8.449 1.00 0.00 O ATOM 1269 CB CYS A 86 -2.403 3.439 8.043 1.00 0.00 C ATOM 1270 SG CYS A 86 -3.165 5.061 7.799 1.00 0.00 S ATOM 0 H CYS A 86 -4.052 3.698 6.174 1.00 0.00 H new ATOM 0 HA CYS A 86 -1.605 2.080 6.530 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -2.801 3.020 8.967 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -1.335 3.593 8.197 1.00 0.00 H new ATOM 1275 N ALA A 87 -2.852 -0.003 6.832 1.00 0.00 N ATOM 1276 CA ALA A 87 -3.356 -1.358 7.234 1.00 0.00 C ATOM 1277 C ALA A 87 -2.221 -2.408 7.426 1.00 0.00 C ATOM 1278 O ALA A 87 -1.995 -2.888 8.520 1.00 0.00 O ATOM 1279 CB ALA A 87 -4.361 -1.782 6.139 1.00 0.00 C ATOM 0 H ALA A 87 -2.238 -0.007 6.018 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.831 -1.306 8.213 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.765 -2.766 6.377 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -5.174 -1.058 6.092 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -3.854 -1.821 5.175 1.00 0.00 H new ATOM 1285 N ASN A 88 -1.543 -2.715 6.347 1.00 0.00 N ATOM 1286 CA ASN A 88 -0.416 -3.718 6.371 1.00 0.00 C ATOM 1287 C ASN A 88 0.994 -3.067 6.503 1.00 0.00 C ATOM 1288 O ASN A 88 1.783 -3.487 7.325 1.00 0.00 O ATOM 1289 CB ASN A 88 -0.541 -4.583 5.053 1.00 0.00 C ATOM 1290 CG ASN A 88 -0.561 -3.719 3.793 1.00 0.00 C ATOM 1291 OD1 ASN A 88 0.265 -2.859 3.612 1.00 0.00 O ATOM 1292 ND2 ASN A 88 -1.457 -3.864 2.877 1.00 0.00 N ATOM 0 H ASN A 88 -1.722 -2.308 5.429 1.00 0.00 H new ATOM 0 HA ASN A 88 -0.508 -4.341 7.261 1.00 0.00 H new ATOM 0 HB2 ASN A 88 0.294 -5.282 4.999 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -1.453 -5.179 5.097 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -1.443 -3.266 2.051 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -2.180 -4.576 2.979 1.00 0.00 H new ATOM 1299 N GLY A 89 1.278 -2.074 5.709 1.00 0.00 N ATOM 1300 CA GLY A 89 2.603 -1.370 5.752 1.00 0.00 C ATOM 1301 C GLY A 89 3.399 -1.409 4.449 1.00 0.00 C ATOM 1302 O GLY A 89 4.584 -1.158 4.491 1.00 0.00 O ATOM 0 H GLY A 89 0.632 -1.706 5.010 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.435 -0.329 6.026 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.208 -1.814 6.543 1.00 0.00 H new ATOM 1306 N GLY A 90 2.761 -1.718 3.351 1.00 0.00 N ATOM 1307 CA GLY A 90 3.396 -1.787 1.982 1.00 0.00 C ATOM 1308 C GLY A 90 2.724 -0.775 1.024 1.00 0.00 C ATOM 1309 O GLY A 90 1.930 0.036 1.459 1.00 0.00 O ATOM 0 H GLY A 90 1.765 -1.940 3.341 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.462 -1.573 2.057 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.301 -2.796 1.580 1.00 0.00 H new ATOM 1313 N LEU A 91 3.033 -0.819 -0.252 1.00 0.00 N ATOM 1314 CA LEU A 91 2.381 0.177 -1.197 1.00 0.00 C ATOM 1315 C LEU A 91 1.494 -0.380 -2.345 1.00 0.00 C ATOM 1316 O LEU A 91 1.637 0.010 -3.492 1.00 0.00 O ATOM 1317 CB LEU A 91 3.518 1.079 -1.796 1.00 0.00 C ATOM 1318 CG LEU A 91 4.081 2.041 -0.713 1.00 0.00 C ATOM 1319 CD1 LEU A 91 5.195 1.350 0.087 1.00 0.00 C ATOM 1320 CD2 LEU A 91 4.687 3.269 -1.414 1.00 0.00 C ATOM 0 H LEU A 91 3.686 -1.475 -0.680 1.00 0.00 H new ATOM 0 HA LEU A 91 1.663 0.719 -0.582 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.320 0.452 -2.185 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.128 1.655 -2.635 1.00 0.00 H new ATOM 0 HG LEU A 91 3.274 2.330 -0.040 1.00 0.00 H new ATOM 0 HD11 LEU A 91 5.580 2.036 0.842 1.00 0.00 H new ATOM 0 HD12 LEU A 91 4.795 0.461 0.575 1.00 0.00 H new ATOM 0 HD13 LEU A 91 6.002 1.062 -0.587 1.00 0.00 H new ATOM 0 HD21 LEU A 91 5.087 3.954 -0.667 1.00 0.00 H new ATOM 0 HD22 LEU A 91 5.489 2.949 -2.079 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.915 3.775 -1.994 1.00 0.00 H new ATOM 1332 N ASP A 92 0.593 -1.241 -1.943 1.00 0.00 N ATOM 1333 CA ASP A 92 -0.394 -1.926 -2.868 1.00 0.00 C ATOM 1334 C ASP A 92 -0.976 -3.194 -2.205 1.00 0.00 C ATOM 1335 O ASP A 92 -0.635 -3.434 -1.061 1.00 0.00 O ATOM 1336 CB ASP A 92 0.325 -2.264 -4.269 1.00 0.00 C ATOM 1337 CG ASP A 92 1.764 -2.794 -4.311 1.00 0.00 C ATOM 1338 OD1 ASP A 92 2.384 -2.997 -3.280 1.00 0.00 O ATOM 1339 OD2 ASP A 92 2.159 -2.960 -5.464 1.00 0.00 O ATOM 0 H ASP A 92 0.489 -1.516 -0.966 1.00 0.00 H new ATOM 0 HA ASP A 92 -1.230 -1.254 -3.064 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -0.300 -2.996 -4.780 1.00 0.00 H new ATOM 0 HB3 ASP A 92 0.303 -1.353 -4.867 1.00 0.00 H new ATOM 1344 N LEU A 93 -1.820 -3.968 -2.867 1.00 0.00 N ATOM 1345 CA LEU A 93 -2.377 -5.195 -2.188 1.00 0.00 C ATOM 1346 C LEU A 93 -1.668 -6.483 -2.649 1.00 0.00 C ATOM 1347 O LEU A 93 -0.590 -6.757 -2.181 1.00 0.00 O ATOM 1348 CB LEU A 93 -3.909 -5.311 -2.493 1.00 0.00 C ATOM 1349 CG LEU A 93 -4.855 -4.306 -1.811 1.00 0.00 C ATOM 1350 CD1 LEU A 93 -4.319 -2.878 -1.827 1.00 0.00 C ATOM 1351 CD2 LEU A 93 -6.156 -4.305 -2.628 1.00 0.00 C ATOM 0 H LEU A 93 -2.140 -3.809 -3.822 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.208 -5.085 -1.117 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.044 -5.219 -3.571 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -4.231 -6.315 -2.216 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.981 -4.606 -0.771 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.030 -2.217 -1.332 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.364 -2.842 -1.303 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.179 -2.553 -2.858 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.864 -3.605 -2.184 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.942 -4.003 -3.653 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -6.587 -5.306 -2.627 1.00 0.00 H new ATOM 1363 N ASP A 94 -2.266 -7.244 -3.519 1.00 0.00 N ATOM 1364 CA ASP A 94 -1.595 -8.501 -3.978 1.00 0.00 C ATOM 1365 C ASP A 94 -0.693 -8.323 -5.222 1.00 0.00 C ATOM 1366 O ASP A 94 -0.587 -7.247 -5.785 1.00 0.00 O ATOM 1367 CB ASP A 94 -2.727 -9.524 -4.200 1.00 0.00 C ATOM 1368 CG ASP A 94 -2.358 -10.857 -3.585 1.00 0.00 C ATOM 1369 OD1 ASP A 94 -1.366 -11.384 -4.039 1.00 0.00 O ATOM 1370 OD2 ASP A 94 -3.104 -11.230 -2.705 1.00 0.00 O ATOM 0 H ASP A 94 -3.180 -7.058 -3.932 1.00 0.00 H new ATOM 0 HA ASP A 94 -0.889 -8.844 -3.222 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -3.652 -9.155 -3.757 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -2.911 -9.647 -5.267 1.00 0.00 H new ATOM 1375 N TRP A 95 -0.095 -9.429 -5.596 1.00 0.00 N ATOM 1376 CA TRP A 95 0.847 -9.571 -6.765 1.00 0.00 C ATOM 1377 C TRP A 95 1.583 -8.260 -7.076 1.00 0.00 C ATOM 1378 O TRP A 95 1.916 -7.975 -8.200 1.00 0.00 O ATOM 1379 CB TRP A 95 -0.004 -10.036 -7.978 1.00 0.00 C ATOM 1380 CG TRP A 95 0.866 -10.428 -9.199 1.00 0.00 C ATOM 1381 CD1 TRP A 95 1.508 -11.620 -9.336 1.00 0.00 C ATOM 1382 CD2 TRP A 95 1.117 -9.665 -10.292 1.00 0.00 C ATOM 1383 NE1 TRP A 95 2.106 -11.498 -10.511 1.00 0.00 N ATOM 1384 CE2 TRP A 95 1.929 -10.357 -11.160 1.00 0.00 C ATOM 1385 CE3 TRP A 95 0.700 -8.385 -10.618 1.00 0.00 C ATOM 1386 CZ2 TRP A 95 2.319 -9.777 -12.351 1.00 0.00 C ATOM 1387 CZ3 TRP A 95 1.088 -7.802 -11.808 1.00 0.00 C ATOM 1388 CH2 TRP A 95 1.901 -8.502 -12.679 1.00 0.00 C ATOM 0 H TRP A 95 -0.233 -10.309 -5.099 1.00 0.00 H new ATOM 0 HA TRP A 95 1.624 -10.298 -6.531 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -0.615 -10.889 -7.683 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -0.688 -9.237 -8.265 1.00 0.00 H new ATOM 0 HD1 TRP A 95 1.525 -12.458 -8.655 1.00 0.00 H new ATOM 0 HE1 TRP A 95 2.677 -12.249 -10.899 1.00 0.00 H new ATOM 0 HE3 TRP A 95 0.066 -7.838 -9.936 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 2.955 -10.324 -13.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 0.758 -6.804 -12.057 1.00 0.00 H new ATOM 0 HH2 TRP A 95 2.208 -8.054 -13.612 1.00 0.00 H new ATOM 1399 N ASP A 96 1.841 -7.511 -6.049 1.00 0.00 N ATOM 1400 CA ASP A 96 2.528 -6.193 -6.040 1.00 0.00 C ATOM 1401 C ASP A 96 2.580 -5.423 -7.401 1.00 0.00 C ATOM 1402 O ASP A 96 3.649 -5.123 -7.911 1.00 0.00 O ATOM 1403 CB ASP A 96 3.923 -6.475 -5.507 1.00 0.00 C ATOM 1404 CG ASP A 96 4.067 -7.558 -4.442 1.00 0.00 C ATOM 1405 OD1 ASP A 96 3.107 -7.863 -3.755 1.00 0.00 O ATOM 1406 OD2 ASP A 96 5.207 -7.989 -4.430 1.00 0.00 O ATOM 0 H ASP A 96 1.569 -7.799 -5.109 1.00 0.00 H new ATOM 0 HA ASP A 96 1.950 -5.508 -5.420 1.00 0.00 H new ATOM 0 HB2 ASP A 96 4.556 -6.748 -6.351 1.00 0.00 H new ATOM 0 HB3 ASP A 96 4.320 -5.546 -5.097 1.00 0.00 H new ATOM 1411 N THR A 97 1.399 -5.139 -7.917 1.00 0.00 N ATOM 1412 CA THR A 97 1.236 -4.391 -9.239 1.00 0.00 C ATOM 1413 C THR A 97 2.320 -3.354 -9.494 1.00 0.00 C ATOM 1414 O THR A 97 2.668 -3.099 -10.636 1.00 0.00 O ATOM 1415 CB THR A 97 -0.140 -3.633 -9.368 1.00 0.00 C ATOM 1416 OG1 THR A 97 -0.251 -2.613 -8.390 1.00 0.00 O ATOM 1417 CG2 THR A 97 -1.266 -4.580 -8.998 1.00 0.00 C ATOM 0 H THR A 97 0.516 -5.396 -7.475 1.00 0.00 H new ATOM 0 HA THR A 97 1.300 -5.194 -9.974 1.00 0.00 H new ATOM 0 HB THR A 97 -0.193 -3.247 -10.386 1.00 0.00 H new ATOM 0 HG1 THR A 97 -1.191 -2.354 -8.292 1.00 0.00 H new ATOM 0 HG21 THR A 97 -2.221 -4.062 -9.085 1.00 0.00 H new ATOM 0 HG22 THR A 97 -1.256 -5.438 -9.671 1.00 0.00 H new ATOM 0 HG23 THR A 97 -1.131 -4.922 -7.972 1.00 0.00 H new ATOM 1425 N VAL A 98 2.785 -2.781 -8.413 1.00 0.00 N ATOM 1426 CA VAL A 98 3.866 -1.754 -8.450 1.00 0.00 C ATOM 1427 C VAL A 98 5.245 -2.476 -8.342 1.00 0.00 C ATOM 1428 O VAL A 98 6.016 -2.504 -9.288 1.00 0.00 O ATOM 1429 CB VAL A 98 3.669 -0.792 -7.255 1.00 0.00 C ATOM 1430 CG1 VAL A 98 4.735 0.323 -7.302 1.00 0.00 C ATOM 1431 CG2 VAL A 98 2.268 -0.178 -7.299 1.00 0.00 C ATOM 0 H VAL A 98 2.446 -2.992 -7.474 1.00 0.00 H new ATOM 0 HA VAL A 98 3.832 -1.186 -9.380 1.00 0.00 H new ATOM 0 HB VAL A 98 3.778 -1.352 -6.326 1.00 0.00 H new ATOM 0 HG11 VAL A 98 4.592 0.998 -6.458 1.00 0.00 H new ATOM 0 HG12 VAL A 98 5.729 -0.121 -7.247 1.00 0.00 H new ATOM 0 HG13 VAL A 98 4.638 0.880 -8.234 1.00 0.00 H new ATOM 0 HG21 VAL A 98 2.140 0.498 -6.453 1.00 0.00 H new ATOM 0 HG22 VAL A 98 2.143 0.377 -8.229 1.00 0.00 H new ATOM 0 HG23 VAL A 98 1.522 -0.971 -7.246 1.00 0.00 H new ATOM 1441 N PHE A 99 5.480 -3.039 -7.169 1.00 0.00 N ATOM 1442 CA PHE A 99 6.750 -3.796 -6.795 1.00 0.00 C ATOM 1443 C PHE A 99 7.327 -4.779 -7.842 1.00 0.00 C ATOM 1444 O PHE A 99 8.497 -4.697 -8.189 1.00 0.00 O ATOM 1445 CB PHE A 99 6.479 -4.569 -5.464 1.00 0.00 C ATOM 1446 CG PHE A 99 7.758 -4.766 -4.622 1.00 0.00 C ATOM 1447 CD1 PHE A 99 8.237 -3.713 -3.873 1.00 0.00 C ATOM 1448 CD2 PHE A 99 8.448 -5.967 -4.584 1.00 0.00 C ATOM 1449 CE1 PHE A 99 9.375 -3.851 -3.105 1.00 0.00 C ATOM 1450 CE2 PHE A 99 9.587 -6.111 -3.820 1.00 0.00 C ATOM 1451 CZ PHE A 99 10.052 -5.050 -3.078 1.00 0.00 C ATOM 0 H PHE A 99 4.804 -3.004 -6.406 1.00 0.00 H new ATOM 0 HA PHE A 99 7.518 -3.028 -6.710 1.00 0.00 H new ATOM 0 HB2 PHE A 99 5.741 -4.024 -4.875 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.047 -5.543 -5.695 1.00 0.00 H new ATOM 0 HD1 PHE A 99 7.715 -2.768 -3.887 1.00 0.00 H new ATOM 0 HD2 PHE A 99 8.088 -6.805 -5.163 1.00 0.00 H new ATOM 0 HE1 PHE A 99 9.736 -3.016 -2.523 1.00 0.00 H new ATOM 0 HE2 PHE A 99 10.113 -7.054 -3.804 1.00 0.00 H new ATOM 0 HZ PHE A 99 10.943 -5.157 -2.477 1.00 0.00 H new ATOM 1461 N THR A 100 6.470 -5.667 -8.298 1.00 0.00 N ATOM 1462 CA THR A 100 6.848 -6.711 -9.316 1.00 0.00 C ATOM 1463 C THR A 100 7.433 -6.141 -10.586 1.00 0.00 C ATOM 1464 O THR A 100 8.336 -6.669 -11.201 1.00 0.00 O ATOM 1465 CB THR A 100 5.628 -7.558 -9.772 1.00 0.00 C ATOM 1466 OG1 THR A 100 4.449 -7.125 -9.125 1.00 0.00 O ATOM 1467 CG2 THR A 100 5.754 -8.971 -9.402 1.00 0.00 C ATOM 0 H THR A 100 5.496 -5.714 -7.999 1.00 0.00 H new ATOM 0 HA THR A 100 7.590 -7.312 -8.791 1.00 0.00 H new ATOM 0 HB THR A 100 5.588 -7.437 -10.855 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.312 -6.171 -9.300 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.875 -9.517 -9.745 1.00 0.00 H new ATOM 0 HG22 THR A 100 6.646 -9.391 -9.867 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.835 -9.058 -8.318 1.00 0.00 H new ATOM 1475 N LYS A 101 6.873 -5.028 -10.948 1.00 0.00 N ATOM 1476 CA LYS A 101 7.303 -4.328 -12.187 1.00 0.00 C ATOM 1477 C LYS A 101 8.711 -3.695 -12.145 1.00 0.00 C ATOM 1478 O LYS A 101 9.543 -3.883 -13.011 1.00 0.00 O ATOM 1479 CB LYS A 101 6.265 -3.239 -12.470 1.00 0.00 C ATOM 1480 CG LYS A 101 4.830 -3.774 -12.484 1.00 0.00 C ATOM 1481 CD LYS A 101 4.527 -4.535 -13.786 1.00 0.00 C ATOM 1482 CE LYS A 101 3.037 -4.874 -13.785 1.00 0.00 C ATOM 1483 NZ LYS A 101 2.306 -3.564 -13.803 1.00 0.00 N ATOM 0 H LYS A 101 6.125 -4.565 -10.432 1.00 0.00 H new ATOM 0 HA LYS A 101 7.367 -5.083 -12.971 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.349 -2.458 -11.714 1.00 0.00 H new ATOM 0 HB3 LYS A 101 6.484 -2.776 -13.432 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.678 -4.435 -11.631 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.130 -2.946 -12.374 1.00 0.00 H new ATOM 0 HD2 LYS A 101 4.781 -3.926 -14.654 1.00 0.00 H new ATOM 0 HD3 LYS A 101 5.127 -5.443 -13.847 1.00 0.00 H new ATOM 0 HE2 LYS A 101 2.775 -5.477 -14.654 1.00 0.00 H new ATOM 0 HE3 LYS A 101 2.771 -5.455 -12.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 1.412 -3.672 -14.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 2.105 -3.265 -12.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.894 -2.845 -14.271 1.00 0.00 H new ATOM 1497 N ILE A 102 8.900 -2.942 -11.104 1.00 0.00 N ATOM 1498 CA ILE A 102 10.206 -2.250 -10.907 1.00 0.00 C ATOM 1499 C ILE A 102 11.388 -3.148 -10.432 1.00 0.00 C ATOM 1500 O ILE A 102 12.410 -2.590 -10.086 1.00 0.00 O ATOM 1501 CB ILE A 102 9.918 -1.068 -9.909 1.00 0.00 C ATOM 1502 CG1 ILE A 102 9.268 -1.606 -8.581 1.00 0.00 C ATOM 1503 CG2 ILE A 102 8.947 -0.071 -10.611 1.00 0.00 C ATOM 1504 CD1 ILE A 102 9.040 -0.475 -7.556 1.00 0.00 C ATOM 0 H ILE A 102 8.206 -2.773 -10.376 1.00 0.00 H new ATOM 0 HA ILE A 102 10.567 -1.903 -11.875 1.00 0.00 H new ATOM 0 HB ILE A 102 10.852 -0.572 -9.646 1.00 0.00 H new ATOM 0 HG12 ILE A 102 8.317 -2.086 -8.810 1.00 0.00 H new ATOM 0 HG13 ILE A 102 9.913 -2.369 -8.144 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.730 0.760 -9.939 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.411 0.309 -11.521 1.00 0.00 H new ATOM 0 HG23 ILE A 102 8.019 -0.584 -10.864 1.00 0.00 H new ATOM 0 HD11 ILE A 102 8.590 -0.888 -6.653 1.00 0.00 H new ATOM 0 HD12 ILE A 102 9.995 -0.012 -7.306 1.00 0.00 H new ATOM 0 HD13 ILE A 102 8.374 0.275 -7.983 1.00 0.00 H new ATOM 1516 N ASP A 103 11.260 -4.458 -10.432 1.00 0.00 N ATOM 1517 CA ASP A 103 12.393 -5.359 -9.982 1.00 0.00 C ATOM 1518 C ASP A 103 12.868 -6.268 -11.171 1.00 0.00 C ATOM 1519 O ASP A 103 12.423 -7.389 -11.323 1.00 0.00 O ATOM 1520 CB ASP A 103 11.878 -6.228 -8.720 1.00 0.00 C ATOM 1521 CG ASP A 103 12.998 -7.003 -7.972 1.00 0.00 C ATOM 1522 OD1 ASP A 103 14.083 -7.046 -8.530 1.00 0.00 O ATOM 1523 OD2 ASP A 103 12.741 -7.513 -6.888 1.00 0.00 O ATOM 0 H ASP A 103 10.416 -4.951 -10.725 1.00 0.00 H new ATOM 0 HA ASP A 103 13.256 -4.769 -9.673 1.00 0.00 H new ATOM 0 HB2 ASP A 103 11.381 -5.562 -8.015 1.00 0.00 H new ATOM 0 HB3 ASP A 103 11.130 -6.941 -9.067 1.00 0.00 H new ATOM 1528 N THR A 104 13.760 -5.765 -12.005 1.00 0.00 N ATOM 1529 CA THR A 104 14.252 -6.616 -13.175 1.00 0.00 C ATOM 1530 C THR A 104 14.686 -8.064 -12.852 1.00 0.00 C ATOM 1531 O THR A 104 14.891 -8.849 -13.758 1.00 0.00 O ATOM 1532 CB THR A 104 15.479 -5.956 -13.926 1.00 0.00 C ATOM 1533 OG1 THR A 104 16.473 -5.567 -12.993 1.00 0.00 O ATOM 1534 CG2 THR A 104 15.124 -4.612 -14.502 1.00 0.00 C ATOM 0 H THR A 104 14.165 -4.831 -11.939 1.00 0.00 H new ATOM 0 HA THR A 104 13.352 -6.662 -13.788 1.00 0.00 H new ATOM 0 HB THR A 104 15.785 -6.696 -14.665 1.00 0.00 H new ATOM 0 HG1 THR A 104 17.228 -5.162 -13.469 1.00 0.00 H new ATOM 0 HG21 THR A 104 15.993 -4.192 -15.009 1.00 0.00 H new ATOM 0 HG22 THR A 104 14.308 -4.726 -15.215 1.00 0.00 H new ATOM 0 HG23 THR A 104 14.814 -3.943 -13.700 1.00 0.00 H new ATOM 1542 N ASN A 105 14.834 -8.392 -11.592 1.00 0.00 N ATOM 1543 CA ASN A 105 15.255 -9.786 -11.209 1.00 0.00 C ATOM 1544 C ASN A 105 14.821 -10.252 -9.779 1.00 0.00 C ATOM 1545 O ASN A 105 14.112 -11.233 -9.635 1.00 0.00 O ATOM 1546 CB ASN A 105 16.804 -9.806 -11.435 1.00 0.00 C ATOM 1547 CG ASN A 105 17.407 -8.510 -10.920 1.00 0.00 C ATOM 1548 OD1 ASN A 105 17.459 -8.264 -9.737 1.00 0.00 O ATOM 1549 ND2 ASN A 105 17.870 -7.619 -11.734 1.00 0.00 N ATOM 0 H ASN A 105 14.683 -7.758 -10.808 1.00 0.00 H new ATOM 0 HA ASN A 105 14.738 -10.522 -11.825 1.00 0.00 H new ATOM 0 HB2 ASN A 105 17.247 -10.657 -10.917 1.00 0.00 H new ATOM 0 HB3 ASN A 105 17.026 -9.927 -12.495 1.00 0.00 H new ATOM 0 HD21 ASN A 105 18.260 -6.749 -11.370 1.00 0.00 H new ATOM 0 HD22 ASN A 105 17.846 -7.786 -12.740 1.00 0.00 H new ATOM 1556 N GLY A 106 15.246 -9.560 -8.757 1.00 0.00 N ATOM 1557 CA GLY A 106 14.859 -9.963 -7.352 1.00 0.00 C ATOM 1558 C GLY A 106 15.704 -9.288 -6.280 1.00 0.00 C ATOM 1559 O GLY A 106 16.212 -9.922 -5.381 1.00 0.00 O ATOM 0 H GLY A 106 15.842 -8.735 -8.822 1.00 0.00 H new ATOM 0 HA2 GLY A 106 13.810 -9.718 -7.187 1.00 0.00 H new ATOM 0 HA3 GLY A 106 14.953 -11.044 -7.252 1.00 0.00 H new ATOM 1563 N ILE A 107 15.822 -7.996 -6.414 1.00 0.00 N ATOM 1564 CA ILE A 107 16.616 -7.169 -5.460 1.00 0.00 C ATOM 1565 C ILE A 107 16.116 -7.315 -4.000 1.00 0.00 C ATOM 1566 O ILE A 107 16.737 -7.943 -3.162 1.00 0.00 O ATOM 1567 CB ILE A 107 16.525 -5.684 -5.928 1.00 0.00 C ATOM 1568 CG1 ILE A 107 16.910 -5.484 -7.431 1.00 0.00 C ATOM 1569 CG2 ILE A 107 17.434 -4.822 -5.040 1.00 0.00 C ATOM 1570 CD1 ILE A 107 18.317 -6.016 -7.792 1.00 0.00 C ATOM 0 H ILE A 107 15.388 -7.463 -7.168 1.00 0.00 H new ATOM 0 HA ILE A 107 17.650 -7.513 -5.462 1.00 0.00 H new ATOM 0 HB ILE A 107 15.483 -5.378 -5.832 1.00 0.00 H new ATOM 0 HG12 ILE A 107 16.171 -5.986 -8.055 1.00 0.00 H new ATOM 0 HG13 ILE A 107 16.861 -4.422 -7.671 1.00 0.00 H new ATOM 0 HG21 ILE A 107 17.376 -3.782 -5.361 1.00 0.00 H new ATOM 0 HG22 ILE A 107 17.109 -4.900 -4.002 1.00 0.00 H new ATOM 0 HG23 ILE A 107 18.463 -5.171 -5.125 1.00 0.00 H new ATOM 0 HD11 ILE A 107 18.512 -5.841 -8.850 1.00 0.00 H new ATOM 0 HD12 ILE A 107 19.067 -5.497 -7.195 1.00 0.00 H new ATOM 0 HD13 ILE A 107 18.366 -7.085 -7.586 1.00 0.00 H new ATOM 1582 N GLY A 108 14.975 -6.715 -3.768 1.00 0.00 N ATOM 1583 CA GLY A 108 14.345 -6.754 -2.408 1.00 0.00 C ATOM 1584 C GLY A 108 13.487 -8.001 -2.326 1.00 0.00 C ATOM 1585 O GLY A 108 13.254 -8.496 -1.246 1.00 0.00 O ATOM 0 H GLY A 108 14.447 -6.194 -4.468 1.00 0.00 H new ATOM 0 HA2 GLY A 108 15.111 -6.767 -1.633 1.00 0.00 H new ATOM 0 HA3 GLY A 108 13.739 -5.863 -2.243 1.00 0.00 H new ATOM 1589 N TYR A 109 13.025 -8.477 -3.450 1.00 0.00 N ATOM 1590 CA TYR A 109 12.178 -9.705 -3.494 1.00 0.00 C ATOM 1591 C TYR A 109 12.620 -10.817 -2.485 1.00 0.00 C ATOM 1592 O TYR A 109 11.795 -11.495 -1.904 1.00 0.00 O ATOM 1593 CB TYR A 109 12.261 -10.184 -4.920 1.00 0.00 C ATOM 1594 CG TYR A 109 11.055 -11.058 -5.245 1.00 0.00 C ATOM 1595 CD1 TYR A 109 9.880 -10.418 -5.572 1.00 0.00 C ATOM 1596 CD2 TYR A 109 11.093 -12.438 -5.228 1.00 0.00 C ATOM 1597 CE1 TYR A 109 8.756 -11.138 -5.881 1.00 0.00 C ATOM 1598 CE2 TYR A 109 9.953 -13.159 -5.542 1.00 0.00 C ATOM 1599 CZ TYR A 109 8.785 -12.503 -5.868 1.00 0.00 C ATOM 1600 OH TYR A 109 7.630 -13.173 -6.195 1.00 0.00 O ATOM 0 H TYR A 109 13.203 -8.056 -4.362 1.00 0.00 H new ATOM 0 HA TYR A 109 11.158 -9.473 -3.187 1.00 0.00 H new ATOM 0 HB2 TYR A 109 12.296 -9.331 -5.598 1.00 0.00 H new ATOM 0 HB3 TYR A 109 13.181 -10.749 -5.070 1.00 0.00 H new ATOM 0 HD1 TYR A 109 9.844 -9.339 -5.585 1.00 0.00 H new ATOM 0 HD2 TYR A 109 12.007 -12.953 -4.971 1.00 0.00 H new ATOM 0 HE1 TYR A 109 7.842 -10.623 -6.136 1.00 0.00 H new ATOM 0 HE2 TYR A 109 9.979 -14.239 -5.531 1.00 0.00 H new ATOM 0 HH TYR A 109 7.788 -14.139 -6.148 1.00 0.00 H new ATOM 1610 N GLN A 110 13.918 -10.966 -2.314 1.00 0.00 N ATOM 1611 CA GLN A 110 14.462 -12.006 -1.367 1.00 0.00 C ATOM 1612 C GLN A 110 14.745 -11.500 0.082 1.00 0.00 C ATOM 1613 O GLN A 110 15.023 -12.294 0.959 1.00 0.00 O ATOM 1614 CB GLN A 110 15.778 -12.591 -1.983 1.00 0.00 C ATOM 1615 CG GLN A 110 16.893 -11.500 -2.171 1.00 0.00 C ATOM 1616 CD GLN A 110 18.278 -12.153 -2.044 1.00 0.00 C ATOM 1617 OE1 GLN A 110 18.781 -12.855 -2.895 1.00 0.00 O ATOM 1618 NE2 GLN A 110 18.941 -11.946 -0.955 1.00 0.00 N ATOM 0 H GLN A 110 14.628 -10.410 -2.791 1.00 0.00 H new ATOM 0 HA GLN A 110 13.683 -12.761 -1.258 1.00 0.00 H new ATOM 0 HB2 GLN A 110 16.156 -13.384 -1.338 1.00 0.00 H new ATOM 0 HB3 GLN A 110 15.553 -13.045 -2.948 1.00 0.00 H new ATOM 0 HG2 GLN A 110 16.791 -11.026 -3.147 1.00 0.00 H new ATOM 0 HG3 GLN A 110 16.779 -10.716 -1.422 1.00 0.00 H new ATOM 0 HE21 GLN A 110 18.545 -11.360 -0.220 1.00 0.00 H new ATOM 0 HE22 GLN A 110 19.861 -12.369 -0.830 1.00 0.00 H new ATOM 1627 N GLN A 111 14.675 -10.216 0.312 1.00 0.00 N ATOM 1628 CA GLN A 111 14.934 -9.671 1.693 1.00 0.00 C ATOM 1629 C GLN A 111 13.560 -9.272 2.304 1.00 0.00 C ATOM 1630 O GLN A 111 13.354 -9.376 3.498 1.00 0.00 O ATOM 1631 CB GLN A 111 15.897 -8.442 1.553 1.00 0.00 C ATOM 1632 CG GLN A 111 16.558 -8.067 2.940 1.00 0.00 C ATOM 1633 CD GLN A 111 17.747 -8.967 3.365 1.00 0.00 C ATOM 1634 OE1 GLN A 111 18.820 -8.960 2.805 1.00 0.00 O ATOM 1635 NE2 GLN A 111 17.639 -9.778 4.365 1.00 0.00 N ATOM 0 H GLN A 111 14.450 -9.514 -0.393 1.00 0.00 H new ATOM 0 HA GLN A 111 15.407 -10.400 2.351 1.00 0.00 H new ATOM 0 HB2 GLN A 111 16.677 -8.670 0.826 1.00 0.00 H new ATOM 0 HB3 GLN A 111 15.343 -7.586 1.169 1.00 0.00 H new ATOM 0 HG2 GLN A 111 16.903 -7.034 2.893 1.00 0.00 H new ATOM 0 HG3 GLN A 111 15.792 -8.113 3.714 1.00 0.00 H new ATOM 0 HE21 GLN A 111 16.762 -9.835 4.883 1.00 0.00 H new ATOM 0 HE22 GLN A 111 18.431 -10.361 4.637 1.00 0.00 H new ATOM 1644 N GLY A 112 12.672 -8.823 1.443 1.00 0.00 N ATOM 1645 CA GLY A 112 11.278 -8.388 1.845 1.00 0.00 C ATOM 1646 C GLY A 112 11.015 -6.905 1.601 1.00 0.00 C ATOM 1647 O GLY A 112 9.920 -6.464 1.309 1.00 0.00 O ATOM 0 H GLY A 112 12.857 -8.735 0.444 1.00 0.00 H new ATOM 0 HA2 GLY A 112 10.547 -8.976 1.290 1.00 0.00 H new ATOM 0 HA3 GLY A 112 11.127 -8.608 2.902 1.00 0.00 H new ATOM 1651 N HIS A 113 12.088 -6.195 1.751 1.00 0.00 N ATOM 1652 CA HIS A 113 12.131 -4.710 1.585 1.00 0.00 C ATOM 1653 C HIS A 113 13.111 -4.144 0.540 1.00 0.00 C ATOM 1654 O HIS A 113 14.096 -4.761 0.186 1.00 0.00 O ATOM 1655 CB HIS A 113 12.456 -4.122 3.009 1.00 0.00 C ATOM 1656 CG HIS A 113 12.612 -5.264 4.026 1.00 0.00 C ATOM 1657 ND1 HIS A 113 11.650 -6.032 4.414 1.00 0.00 N ATOM 1658 CD2 HIS A 113 13.716 -5.733 4.699 1.00 0.00 C ATOM 1659 CE1 HIS A 113 12.110 -6.909 5.255 1.00 0.00 C ATOM 1660 NE2 HIS A 113 13.391 -6.754 5.466 1.00 0.00 N ATOM 0 H HIS A 113 12.991 -6.602 1.996 1.00 0.00 H new ATOM 0 HA HIS A 113 11.163 -4.410 1.184 1.00 0.00 H new ATOM 0 HB2 HIS A 113 13.372 -3.533 2.968 1.00 0.00 H new ATOM 0 HB3 HIS A 113 11.658 -3.449 3.325 1.00 0.00 H new ATOM 0 HD2 HIS A 113 14.711 -5.322 4.611 1.00 0.00 H new ATOM 0 HE1 HIS A 113 11.507 -7.673 5.723 1.00 0.00 H new ATOM 0 HE2 HIS A 113 13.997 -7.297 6.081 1.00 0.00 H new ATOM 1668 N LEU A 114 12.771 -2.978 0.063 1.00 0.00 N ATOM 1669 CA LEU A 114 13.584 -2.233 -0.945 1.00 0.00 C ATOM 1670 C LEU A 114 13.502 -0.713 -0.634 1.00 0.00 C ATOM 1671 O LEU A 114 12.662 -0.277 0.137 1.00 0.00 O ATOM 1672 CB LEU A 114 12.993 -2.600 -2.312 1.00 0.00 C ATOM 1673 CG LEU A 114 13.685 -1.897 -3.505 1.00 0.00 C ATOM 1674 CD1 LEU A 114 15.207 -2.197 -3.529 1.00 0.00 C ATOM 1675 CD2 LEU A 114 13.073 -2.570 -4.743 1.00 0.00 C ATOM 0 H LEU A 114 11.922 -2.488 0.345 1.00 0.00 H new ATOM 0 HA LEU A 114 14.643 -2.492 -0.927 1.00 0.00 H new ATOM 0 HB2 LEU A 114 13.063 -3.679 -2.449 1.00 0.00 H new ATOM 0 HB3 LEU A 114 11.933 -2.346 -2.318 1.00 0.00 H new ATOM 0 HG LEU A 114 13.550 -0.817 -3.455 1.00 0.00 H new ATOM 0 HD11 LEU A 114 15.665 -1.689 -4.378 1.00 0.00 H new ATOM 0 HD12 LEU A 114 15.663 -1.841 -2.605 1.00 0.00 H new ATOM 0 HD13 LEU A 114 15.365 -3.272 -3.621 1.00 0.00 H new ATOM 0 HD21 LEU A 114 13.505 -2.135 -5.644 1.00 0.00 H new ATOM 0 HD22 LEU A 114 13.285 -3.639 -4.718 1.00 0.00 H new ATOM 0 HD23 LEU A 114 11.994 -2.414 -4.746 1.00 0.00 H new ATOM 1687 N ASN A 115 14.375 0.048 -1.248 1.00 0.00 N ATOM 1688 CA ASN A 115 14.402 1.523 -1.041 1.00 0.00 C ATOM 1689 C ASN A 115 13.994 2.117 -2.417 1.00 0.00 C ATOM 1690 O ASN A 115 14.558 1.789 -3.450 1.00 0.00 O ATOM 1691 CB ASN A 115 15.834 1.901 -0.616 1.00 0.00 C ATOM 1692 CG ASN A 115 15.792 3.239 0.111 1.00 0.00 C ATOM 1693 OD1 ASN A 115 15.077 4.140 -0.253 1.00 0.00 O ATOM 1694 ND2 ASN A 115 16.528 3.447 1.146 1.00 0.00 N ATOM 0 H ASN A 115 15.082 -0.301 -1.895 1.00 0.00 H new ATOM 0 HA ASN A 115 13.732 1.897 -0.267 1.00 0.00 H new ATOM 0 HB2 ASN A 115 16.251 1.131 0.034 1.00 0.00 H new ATOM 0 HB3 ASN A 115 16.482 1.966 -1.490 1.00 0.00 H new ATOM 0 HD21 ASN A 115 16.492 4.347 1.625 1.00 0.00 H new ATOM 0 HD22 ASN A 115 17.147 2.712 1.488 1.00 0.00 H new ATOM 1701 N VAL A 116 12.998 2.961 -2.355 1.00 0.00 N ATOM 1702 CA VAL A 116 12.456 3.633 -3.598 1.00 0.00 C ATOM 1703 C VAL A 116 11.997 5.092 -3.371 1.00 0.00 C ATOM 1704 O VAL A 116 12.062 5.573 -2.255 1.00 0.00 O ATOM 1705 CB VAL A 116 11.241 2.814 -4.135 1.00 0.00 C ATOM 1706 CG1 VAL A 116 11.585 1.326 -4.341 1.00 0.00 C ATOM 1707 CG2 VAL A 116 10.120 2.892 -3.092 1.00 0.00 C ATOM 0 H VAL A 116 12.524 3.223 -1.491 1.00 0.00 H new ATOM 0 HA VAL A 116 13.278 3.662 -4.313 1.00 0.00 H new ATOM 0 HB VAL A 116 10.949 3.235 -5.097 1.00 0.00 H new ATOM 0 HG11 VAL A 116 10.708 0.798 -4.715 1.00 0.00 H new ATOM 0 HG12 VAL A 116 12.397 1.237 -5.062 1.00 0.00 H new ATOM 0 HG13 VAL A 116 11.893 0.889 -3.391 1.00 0.00 H new ATOM 0 HG21 VAL A 116 9.257 2.327 -3.443 1.00 0.00 H new ATOM 0 HG22 VAL A 116 10.470 2.472 -2.149 1.00 0.00 H new ATOM 0 HG23 VAL A 116 9.835 3.933 -2.941 1.00 0.00 H new ATOM 1717 N ASN A 117 11.542 5.726 -4.432 1.00 0.00 N ATOM 1718 CA ASN A 117 11.048 7.150 -4.362 1.00 0.00 C ATOM 1719 C ASN A 117 9.543 7.229 -4.745 1.00 0.00 C ATOM 1720 O ASN A 117 9.110 6.497 -5.626 1.00 0.00 O ATOM 1721 CB ASN A 117 11.857 8.017 -5.343 1.00 0.00 C ATOM 1722 CG ASN A 117 13.312 7.641 -5.233 1.00 0.00 C ATOM 1723 OD1 ASN A 117 13.917 7.774 -4.192 1.00 0.00 O ATOM 1724 ND2 ASN A 117 13.910 7.164 -6.281 1.00 0.00 N ATOM 0 H ASN A 117 11.490 5.310 -5.362 1.00 0.00 H new ATOM 0 HA ASN A 117 11.174 7.512 -3.341 1.00 0.00 H new ATOM 0 HB2 ASN A 117 11.503 7.864 -6.363 1.00 0.00 H new ATOM 0 HB3 ASN A 117 11.721 9.074 -5.114 1.00 0.00 H new ATOM 0 HD21 ASN A 117 14.894 6.899 -6.231 1.00 0.00 H new ATOM 0 HD22 ASN A 117 13.396 7.054 -7.155 1.00 0.00 H new ATOM 1731 N TYR A 118 8.843 8.126 -4.077 1.00 0.00 N ATOM 1732 CA TYR A 118 7.381 8.300 -4.347 1.00 0.00 C ATOM 1733 C TYR A 118 6.990 9.793 -4.494 1.00 0.00 C ATOM 1734 O TYR A 118 7.274 10.652 -3.673 1.00 0.00 O ATOM 1735 CB TYR A 118 6.574 7.599 -3.188 1.00 0.00 C ATOM 1736 CG TYR A 118 6.417 8.359 -1.847 1.00 0.00 C ATOM 1737 CD1 TYR A 118 5.643 9.504 -1.751 1.00 0.00 C ATOM 1738 CD2 TYR A 118 7.039 7.892 -0.704 1.00 0.00 C ATOM 1739 CE1 TYR A 118 5.500 10.160 -0.540 1.00 0.00 C ATOM 1740 CE2 TYR A 118 6.893 8.552 0.506 1.00 0.00 C ATOM 1741 CZ TYR A 118 6.122 9.688 0.588 1.00 0.00 C ATOM 1742 OH TYR A 118 5.977 10.355 1.782 1.00 0.00 O ATOM 0 H TYR A 118 9.225 8.741 -3.359 1.00 0.00 H new ATOM 0 HA TYR A 118 7.134 7.833 -5.300 1.00 0.00 H new ATOM 0 HB2 TYR A 118 5.576 7.376 -3.564 1.00 0.00 H new ATOM 0 HB3 TYR A 118 7.055 6.644 -2.976 1.00 0.00 H new ATOM 0 HD1 TYR A 118 5.146 9.889 -2.629 1.00 0.00 H new ATOM 0 HD2 TYR A 118 7.647 7.001 -0.755 1.00 0.00 H new ATOM 0 HE1 TYR A 118 4.893 11.052 -0.483 1.00 0.00 H new ATOM 0 HE2 TYR A 118 7.387 8.173 1.388 1.00 0.00 H new ATOM 0 HH TYR A 118 6.481 9.888 2.481 1.00 0.00 H new ATOM 1752 N GLN A 119 6.337 10.026 -5.597 1.00 0.00 N ATOM 1753 CA GLN A 119 5.837 11.378 -5.996 1.00 0.00 C ATOM 1754 C GLN A 119 4.304 11.315 -6.199 1.00 0.00 C ATOM 1755 O GLN A 119 3.876 10.628 -7.109 1.00 0.00 O ATOM 1756 CB GLN A 119 6.562 11.782 -7.326 1.00 0.00 C ATOM 1757 CG GLN A 119 8.018 12.328 -7.107 1.00 0.00 C ATOM 1758 CD GLN A 119 8.911 11.388 -6.306 1.00 0.00 C ATOM 1759 OE1 GLN A 119 9.414 10.373 -6.744 1.00 0.00 O ATOM 1760 NE2 GLN A 119 9.131 11.715 -5.080 1.00 0.00 N ATOM 0 H GLN A 119 6.117 9.296 -6.275 1.00 0.00 H new ATOM 0 HA GLN A 119 6.046 12.120 -5.226 1.00 0.00 H new ATOM 0 HB2 GLN A 119 6.603 10.915 -7.985 1.00 0.00 H new ATOM 0 HB3 GLN A 119 5.971 12.542 -7.836 1.00 0.00 H new ATOM 0 HG2 GLN A 119 8.478 12.512 -8.078 1.00 0.00 H new ATOM 0 HG3 GLN A 119 7.963 13.288 -6.594 1.00 0.00 H new ATOM 0 HE21 GLN A 119 8.716 12.564 -4.696 1.00 0.00 H new ATOM 0 HE22 GLN A 119 9.720 11.125 -4.493 1.00 0.00 H new ATOM 1769 N PHE A 120 3.501 11.978 -5.389 1.00 0.00 N ATOM 1770 CA PHE A 120 2.008 11.884 -5.649 1.00 0.00 C ATOM 1771 C PHE A 120 1.797 12.369 -7.119 1.00 0.00 C ATOM 1772 O PHE A 120 2.477 13.272 -7.565 1.00 0.00 O ATOM 1773 CB PHE A 120 1.245 12.780 -4.601 1.00 0.00 C ATOM 1774 CG PHE A 120 0.975 11.966 -3.305 1.00 0.00 C ATOM 1775 CD1 PHE A 120 1.993 11.227 -2.717 1.00 0.00 C ATOM 1776 CD2 PHE A 120 -0.283 11.944 -2.701 1.00 0.00 C ATOM 1777 CE1 PHE A 120 1.764 10.494 -1.571 1.00 0.00 C ATOM 1778 CE2 PHE A 120 -0.502 11.215 -1.558 1.00 0.00 C ATOM 1779 CZ PHE A 120 0.515 10.492 -0.995 1.00 0.00 C ATOM 0 H PHE A 120 3.788 12.553 -4.597 1.00 0.00 H new ATOM 0 HA PHE A 120 1.617 10.873 -5.537 1.00 0.00 H new ATOM 0 HB2 PHE A 120 1.836 13.665 -4.368 1.00 0.00 H new ATOM 0 HB3 PHE A 120 0.303 13.128 -5.025 1.00 0.00 H new ATOM 0 HD1 PHE A 120 2.977 11.226 -3.163 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -1.094 12.507 -3.138 1.00 0.00 H new ATOM 0 HE1 PHE A 120 2.565 9.922 -1.126 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -1.481 11.212 -1.101 1.00 0.00 H new ATOM 0 HZ PHE A 120 0.336 9.919 -0.097 1.00 0.00 H new ATOM 1789 N VAL A 121 0.884 11.764 -7.831 1.00 0.00 N ATOM 1790 CA VAL A 121 0.612 12.138 -9.264 1.00 0.00 C ATOM 1791 C VAL A 121 -0.856 11.917 -9.781 1.00 0.00 C ATOM 1792 O VAL A 121 -1.745 11.504 -9.060 1.00 0.00 O ATOM 1793 CB VAL A 121 1.720 11.311 -10.027 1.00 0.00 C ATOM 1794 CG1 VAL A 121 1.176 10.309 -11.031 1.00 0.00 C ATOM 1795 CG2 VAL A 121 2.679 12.235 -10.783 1.00 0.00 C ATOM 0 H VAL A 121 0.298 11.008 -7.477 1.00 0.00 H new ATOM 0 HA VAL A 121 0.673 13.214 -9.429 1.00 0.00 H new ATOM 0 HB VAL A 121 2.230 10.761 -9.237 1.00 0.00 H new ATOM 0 HG11 VAL A 121 2.005 9.786 -11.508 1.00 0.00 H new ATOM 0 HG12 VAL A 121 0.539 9.588 -10.518 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.593 10.833 -11.789 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.430 11.637 -11.298 1.00 0.00 H new ATOM 0 HG22 VAL A 121 2.120 12.822 -11.512 1.00 0.00 H new ATOM 0 HG23 VAL A 121 3.170 12.905 -10.078 1.00 0.00 H new ATOM 1805 N ASP A 122 -1.057 12.226 -11.038 1.00 0.00 N ATOM 1806 CA ASP A 122 -2.391 12.059 -11.679 1.00 0.00 C ATOM 1807 C ASP A 122 -2.444 10.629 -12.271 1.00 0.00 C ATOM 1808 O ASP A 122 -1.455 9.918 -12.264 1.00 0.00 O ATOM 1809 CB ASP A 122 -2.495 13.065 -12.789 1.00 0.00 C ATOM 1810 CG ASP A 122 -1.872 14.409 -12.419 1.00 0.00 C ATOM 1811 OD1 ASP A 122 -2.226 14.957 -11.404 1.00 0.00 O ATOM 1812 OD2 ASP A 122 -1.047 14.805 -13.222 1.00 0.00 O ATOM 0 H ASP A 122 -0.335 12.595 -11.657 1.00 0.00 H new ATOM 0 HA ASP A 122 -3.205 12.204 -10.969 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -2.002 12.672 -13.679 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -3.544 13.212 -13.045 1.00 0.00 H new ATOM 1817 N CYS A 123 -3.568 10.207 -12.771 1.00 0.00 N ATOM 1818 CA CYS A 123 -3.578 8.821 -13.356 1.00 0.00 C ATOM 1819 C CYS A 123 -3.191 8.897 -14.844 1.00 0.00 C ATOM 1820 O CYS A 123 -2.537 8.017 -15.372 1.00 0.00 O ATOM 1821 CB CYS A 123 -4.969 8.261 -13.105 1.00 0.00 C ATOM 1822 SG CYS A 123 -5.273 8.114 -11.325 1.00 0.00 S ATOM 0 H CYS A 123 -4.446 10.724 -12.806 1.00 0.00 H new ATOM 0 HA CYS A 123 -2.849 8.153 -12.898 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -5.718 8.912 -13.557 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -5.067 7.285 -13.580 1.00 0.00 H new ATOM 1827 N ARG A 124 -3.639 9.992 -15.409 1.00 0.00 N ATOM 1828 CA ARG A 124 -3.440 10.391 -16.847 1.00 0.00 C ATOM 1829 C ARG A 124 -3.570 9.143 -17.762 1.00 0.00 C ATOM 1830 O ARG A 124 -2.738 8.832 -18.593 1.00 0.00 O ATOM 1831 CB ARG A 124 -2.022 11.091 -16.890 1.00 0.00 C ATOM 1832 CG ARG A 124 -1.891 12.224 -17.985 1.00 0.00 C ATOM 1833 CD ARG A 124 -0.412 12.755 -17.972 1.00 0.00 C ATOM 1834 NE ARG A 124 -0.397 14.205 -17.531 1.00 0.00 N ATOM 1835 CZ ARG A 124 -0.357 14.503 -16.282 1.00 0.00 C ATOM 1836 NH1 ARG A 124 0.575 14.100 -15.512 1.00 0.00 N ATOM 1837 NH2 ARG A 124 -1.296 15.230 -15.832 1.00 0.00 N ATOM 0 H ARG A 124 -4.179 10.682 -14.887 1.00 0.00 H new ATOM 0 HA ARG A 124 -4.193 11.084 -17.222 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -1.812 11.522 -15.911 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -1.261 10.333 -17.075 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -2.145 11.831 -18.970 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -2.588 13.036 -17.776 1.00 0.00 H new ATOM 0 HD2 ARG A 124 0.196 12.153 -17.297 1.00 0.00 H new ATOM 0 HD3 ARG A 124 0.027 12.662 -18.965 1.00 0.00 H new ATOM 0 HE ARG A 124 -0.419 14.948 -18.229 1.00 0.00 H new ATOM 0 HH11 ARG A 124 1.327 13.518 -15.882 1.00 0.00 H new ATOM 0 HH12 ARG A 124 0.569 14.359 -14.526 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -2.037 15.550 -16.456 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -1.309 15.494 -14.847 1.00 0.00 H new ATOM 1851 N ASP A 125 -4.673 8.492 -17.512 1.00 0.00 N ATOM 1852 CA ASP A 125 -5.094 7.262 -18.213 1.00 0.00 C ATOM 1853 C ASP A 125 -5.937 7.709 -19.443 1.00 0.00 C ATOM 1854 O ASP A 125 -5.733 7.109 -20.486 1.00 0.00 O ATOM 1855 CB ASP A 125 -5.876 6.452 -17.141 1.00 0.00 C ATOM 1856 CG ASP A 125 -5.626 4.977 -17.293 1.00 0.00 C ATOM 1857 OD1 ASP A 125 -4.455 4.666 -17.177 1.00 0.00 O ATOM 1858 OD2 ASP A 125 -6.547 4.211 -17.505 1.00 0.00 O ATOM 1859 OXT ASP A 125 -6.736 8.624 -19.269 1.00 0.00 O ATOM 0 H ASP A 125 -5.337 8.793 -16.799 1.00 0.00 H new ATOM 0 HA ASP A 125 -4.296 6.633 -18.606 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -5.575 6.775 -16.144 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -6.943 6.655 -17.233 1.00 0.00 H new