USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 830 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 58 ASN : amide:sc= -13.4! C(o=-14!,f=-21!) USER MOD Set 1.2: A 60 TYR OH : rot -156:sc= -0.468 USER MOD Set 2.1: A 50 SER OG : rot 139:sc= -2.33! USER MOD Set 2.2: A 54 ASN : amide:sc= -6.82! C(o=-9.1!,f=-5.7!) USER MOD Set 3.1: A 8 TYR OH : rot 31:sc= 0.274! USER MOD Set 3.2: A 40 TYR OH : rot 30:sc= 1.04 USER MOD Set 4.1: A 18 SER OG : rot -70:sc= 0.487 USER MOD Set 4.2: A 32 HIS : no HD1:sc= -8.1! C(o=-7.6!,f=-4.7!) USER MOD Single : A 1 GLU N :NH3+ -179:sc= -0.0815 (180deg=-0.0867) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0575 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 125:sc= 0.271! USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -8.3! C(o=-8.3!,f=-12!) USER MOD Single : A 14 GLN : amide:sc= -2.32! X(o=-2.3!,f=-2.8) USER MOD Single : A 17 SER OG : rot 71:sc= 0.609 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 23 GLN : amide:sc= -0.22 K(o=-0.22,f=-3.5!) USER MOD Single : A 25 THR OG1 : rot 63:sc= -0.147 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot -111:sc= 0.298 USER MOD Single : A 34 THR OG1 : rot -91:sc= -1.61! USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 37 TYR OH : rot -177:sc= 1.28 USER MOD Single : A 39 TYR OH : rot 30:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -5.39! C(o=-5.4!,f=-2.6!) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.326 X(o=-0.33,f=-0.14) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -0.0503 K(o=-0.05,f=-1.8!) USER MOD Single : A 94 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0149) USER MOD Single : A 97 GLN : amide:sc= -1.02 K(o=-1,f=-6.2!) USER MOD Single : A 101 SER OG : rot -32:sc= 1.14 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 19.120 6.378 -10.964 1.00 0.00 N ATOM 2 CA GLU A 1 20.203 6.913 -10.093 1.00 0.00 C ATOM 3 C GLU A 1 19.606 7.391 -8.767 1.00 0.00 C ATOM 4 O GLU A 1 20.317 7.680 -7.824 1.00 0.00 O ATOM 5 CB GLU A 1 20.890 8.087 -10.794 1.00 0.00 C ATOM 6 CG GLU A 1 22.183 7.604 -11.452 1.00 0.00 C ATOM 7 CD GLU A 1 21.884 7.127 -12.875 1.00 0.00 C ATOM 8 OE1 GLU A 1 20.953 7.647 -13.468 1.00 0.00 O ATOM 9 OE2 GLU A 1 22.589 6.251 -13.346 1.00 0.00 O ATOM 0 H1 GLU A 1 19.529 6.038 -11.858 1.00 0.00 H new ATOM 0 H2 GLU A 1 18.642 5.591 -10.480 1.00 0.00 H new ATOM 0 H3 GLU A 1 18.431 7.131 -11.163 1.00 0.00 H new ATOM 0 HA GLU A 1 20.933 6.127 -9.900 1.00 0.00 H new ATOM 0 HB2 GLU A 1 20.226 8.515 -11.545 1.00 0.00 H new ATOM 0 HB3 GLU A 1 21.109 8.876 -10.075 1.00 0.00 H new ATOM 0 HG2 GLU A 1 22.916 8.411 -11.474 1.00 0.00 H new ATOM 0 HG3 GLU A 1 22.619 6.793 -10.869 1.00 0.00 H new ATOM 18 N SER A 2 18.306 7.479 -8.685 1.00 0.00 N ATOM 19 CA SER A 2 17.671 7.942 -7.419 1.00 0.00 C ATOM 20 C SER A 2 16.359 7.187 -7.196 1.00 0.00 C ATOM 21 O SER A 2 16.336 6.129 -6.601 1.00 0.00 O ATOM 22 CB SER A 2 17.388 9.441 -7.511 1.00 0.00 C ATOM 23 OG SER A 2 17.014 9.766 -8.844 1.00 0.00 O ATOM 0 H SER A 2 17.658 7.251 -9.439 1.00 0.00 H new ATOM 0 HA SER A 2 18.345 7.749 -6.584 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.591 9.716 -6.820 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.272 10.009 -7.220 1.00 0.00 H new ATOM 0 HG SER A 2 16.830 10.726 -8.907 1.00 0.00 H new ATOM 29 N LYS A 3 15.264 7.725 -7.663 1.00 0.00 N ATOM 30 CA LYS A 3 13.956 7.038 -7.470 1.00 0.00 C ATOM 31 C LYS A 3 13.303 6.779 -8.831 1.00 0.00 C ATOM 32 O LYS A 3 12.514 7.574 -9.301 1.00 0.00 O ATOM 33 CB LYS A 3 13.039 7.922 -6.623 1.00 0.00 C ATOM 34 CG LYS A 3 13.656 8.116 -5.237 1.00 0.00 C ATOM 35 CD LYS A 3 14.121 9.566 -5.084 1.00 0.00 C ATOM 36 CE LYS A 3 13.001 10.396 -4.455 1.00 0.00 C ATOM 37 NZ LYS A 3 13.296 11.846 -4.635 1.00 0.00 N ATOM 0 H LYS A 3 15.220 8.609 -8.169 1.00 0.00 H new ATOM 0 HA LYS A 3 14.118 6.087 -6.962 1.00 0.00 H new ATOM 0 HB2 LYS A 3 12.897 8.888 -7.108 1.00 0.00 H new ATOM 0 HB3 LYS A 3 12.055 7.463 -6.534 1.00 0.00 H new ATOM 0 HG2 LYS A 3 12.926 7.874 -4.465 1.00 0.00 H new ATOM 0 HG3 LYS A 3 14.498 7.437 -5.104 1.00 0.00 H new ATOM 0 HD2 LYS A 3 15.014 9.609 -4.461 1.00 0.00 H new ATOM 0 HD3 LYS A 3 14.391 9.977 -6.057 1.00 0.00 H new ATOM 0 HE2 LYS A 3 12.046 10.148 -4.918 1.00 0.00 H new ATOM 0 HE3 LYS A 3 12.911 10.161 -3.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 12.535 12.411 -4.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 14.199 12.076 -4.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 13.360 12.064 -5.650 1.00 0.00 H new ATOM 51 N PRO A 4 13.656 5.660 -9.425 1.00 0.00 N ATOM 52 CA PRO A 4 13.130 5.233 -10.739 1.00 0.00 C ATOM 53 C PRO A 4 11.914 4.258 -10.676 1.00 0.00 C ATOM 54 O PRO A 4 11.733 3.507 -11.614 1.00 0.00 O ATOM 55 CB PRO A 4 14.313 4.450 -11.315 1.00 0.00 C ATOM 56 CG PRO A 4 15.153 3.959 -10.101 1.00 0.00 C ATOM 57 CD PRO A 4 14.665 4.745 -8.869 1.00 0.00 C ATOM 0 HA PRO A 4 12.775 6.096 -11.302 1.00 0.00 H new ATOM 0 HB2 PRO A 4 13.966 3.607 -11.912 1.00 0.00 H new ATOM 0 HB3 PRO A 4 14.912 5.081 -11.972 1.00 0.00 H new ATOM 0 HG2 PRO A 4 15.024 2.887 -9.951 1.00 0.00 H new ATOM 0 HG3 PRO A 4 16.216 4.131 -10.272 1.00 0.00 H new ATOM 0 HD2 PRO A 4 14.236 4.085 -8.115 1.00 0.00 H new ATOM 0 HD3 PRO A 4 15.480 5.288 -8.391 1.00 0.00 H new ATOM 65 N PRO A 5 11.111 4.252 -9.625 1.00 0.00 N ATOM 66 CA PRO A 5 9.963 3.326 -9.555 1.00 0.00 C ATOM 67 C PRO A 5 8.813 3.803 -10.443 1.00 0.00 C ATOM 68 O PRO A 5 8.895 4.820 -11.101 1.00 0.00 O ATOM 69 CB PRO A 5 9.556 3.346 -8.083 1.00 0.00 C ATOM 70 CG PRO A 5 10.103 4.666 -7.503 1.00 0.00 C ATOM 71 CD PRO A 5 11.238 5.120 -8.440 1.00 0.00 C ATOM 0 HA PRO A 5 10.216 2.326 -9.908 1.00 0.00 H new ATOM 0 HB2 PRO A 5 8.472 3.294 -7.978 1.00 0.00 H new ATOM 0 HB3 PRO A 5 9.969 2.487 -7.553 1.00 0.00 H new ATOM 0 HG2 PRO A 5 9.318 5.421 -7.450 1.00 0.00 H new ATOM 0 HG3 PRO A 5 10.473 4.520 -6.488 1.00 0.00 H new ATOM 0 HD2 PRO A 5 11.135 6.172 -8.706 1.00 0.00 H new ATOM 0 HD3 PRO A 5 12.213 5.005 -7.967 1.00 0.00 H new ATOM 79 N TYR A 6 7.745 3.056 -10.467 1.00 0.00 N ATOM 80 CA TYR A 6 6.576 3.427 -11.312 1.00 0.00 C ATOM 81 C TYR A 6 5.675 4.406 -10.563 1.00 0.00 C ATOM 82 O TYR A 6 5.749 4.538 -9.357 1.00 0.00 O ATOM 83 CB TYR A 6 5.789 2.162 -11.664 1.00 0.00 C ATOM 84 CG TYR A 6 6.752 1.008 -11.821 1.00 0.00 C ATOM 85 CD1 TYR A 6 7.665 0.999 -12.883 1.00 0.00 C ATOM 86 CD2 TYR A 6 6.740 -0.045 -10.899 1.00 0.00 C ATOM 87 CE1 TYR A 6 8.564 -0.066 -13.024 1.00 0.00 C ATOM 88 CE2 TYR A 6 7.638 -1.109 -11.040 1.00 0.00 C ATOM 89 CZ TYR A 6 8.550 -1.120 -12.102 1.00 0.00 C ATOM 90 OH TYR A 6 9.436 -2.170 -12.239 1.00 0.00 O ATOM 0 H TYR A 6 7.631 2.195 -9.932 1.00 0.00 H new ATOM 0 HA TYR A 6 6.928 3.906 -12.225 1.00 0.00 H new ATOM 0 HB2 TYR A 6 5.062 1.942 -10.882 1.00 0.00 H new ATOM 0 HB3 TYR A 6 5.229 2.312 -12.587 1.00 0.00 H new ATOM 0 HD1 TYR A 6 7.676 1.813 -13.593 1.00 0.00 H new ATOM 0 HD2 TYR A 6 6.038 -0.036 -10.079 1.00 0.00 H new ATOM 0 HE1 TYR A 6 9.268 -0.074 -13.843 1.00 0.00 H new ATOM 0 HE2 TYR A 6 7.627 -1.922 -10.329 1.00 0.00 H new ATOM 0 HH TYR A 6 9.951 -2.274 -11.411 1.00 0.00 H new ATOM 100 N SER A 7 4.825 5.097 -11.272 1.00 0.00 N ATOM 101 CA SER A 7 3.917 6.070 -10.607 1.00 0.00 C ATOM 102 C SER A 7 3.240 5.388 -9.423 1.00 0.00 C ATOM 103 O SER A 7 3.121 4.180 -9.377 1.00 0.00 O ATOM 104 CB SER A 7 2.858 6.546 -11.601 1.00 0.00 C ATOM 105 OG SER A 7 3.433 7.509 -12.474 1.00 0.00 O ATOM 0 H SER A 7 4.721 5.029 -12.284 1.00 0.00 H new ATOM 0 HA SER A 7 4.490 6.929 -10.258 1.00 0.00 H new ATOM 0 HB2 SER A 7 2.475 5.702 -12.174 1.00 0.00 H new ATOM 0 HB3 SER A 7 2.012 6.980 -11.069 1.00 0.00 H new ATOM 0 HG SER A 7 2.757 7.815 -13.114 1.00 0.00 H new ATOM 111 N TYR A 8 2.798 6.146 -8.461 1.00 0.00 N ATOM 112 CA TYR A 8 2.136 5.533 -7.279 1.00 0.00 C ATOM 113 C TYR A 8 0.753 5.006 -7.668 1.00 0.00 C ATOM 114 O TYR A 8 0.063 4.404 -6.872 1.00 0.00 O ATOM 115 CB TYR A 8 2.031 6.574 -6.170 1.00 0.00 C ATOM 116 CG TYR A 8 3.426 6.891 -5.691 1.00 0.00 C ATOM 117 CD1 TYR A 8 4.338 5.850 -5.473 1.00 0.00 C ATOM 118 CD2 TYR A 8 3.816 8.217 -5.484 1.00 0.00 C ATOM 119 CE1 TYR A 8 5.638 6.135 -5.045 1.00 0.00 C ATOM 120 CE2 TYR A 8 5.119 8.503 -5.057 1.00 0.00 C ATOM 121 CZ TYR A 8 6.030 7.462 -4.838 1.00 0.00 C ATOM 122 OH TYR A 8 7.313 7.746 -4.416 1.00 0.00 O ATOM 0 H TYR A 8 2.867 7.164 -8.442 1.00 0.00 H new ATOM 0 HA TYR A 8 2.727 4.691 -6.918 1.00 0.00 H new ATOM 0 HB2 TYR A 8 1.541 7.475 -6.539 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.423 6.195 -5.348 1.00 0.00 H new ATOM 0 HD1 TYR A 8 4.036 4.826 -5.636 1.00 0.00 H new ATOM 0 HD2 TYR A 8 3.114 9.020 -5.653 1.00 0.00 H new ATOM 0 HE1 TYR A 8 6.339 5.331 -4.874 1.00 0.00 H new ATOM 0 HE2 TYR A 8 5.421 9.527 -4.896 1.00 0.00 H new ATOM 0 HH TYR A 8 7.929 7.068 -4.763 1.00 0.00 H new ATOM 132 N ALA A 9 0.360 5.203 -8.897 1.00 0.00 N ATOM 133 CA ALA A 9 -0.956 4.684 -9.360 1.00 0.00 C ATOM 134 C ALA A 9 -0.686 3.581 -10.387 1.00 0.00 C ATOM 135 O ALA A 9 -1.467 2.668 -10.569 1.00 0.00 O ATOM 136 CB ALA A 9 -1.757 5.813 -10.010 1.00 0.00 C ATOM 0 H ALA A 9 0.898 5.704 -9.604 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.530 4.292 -8.521 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.720 5.429 -10.347 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.919 6.609 -9.284 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.204 6.207 -10.863 1.00 0.00 H new ATOM 142 N GLN A 10 0.446 3.660 -11.034 1.00 0.00 N ATOM 143 CA GLN A 10 0.845 2.633 -12.036 1.00 0.00 C ATOM 144 C GLN A 10 1.660 1.578 -11.296 1.00 0.00 C ATOM 145 O GLN A 10 1.614 0.401 -11.592 1.00 0.00 O ATOM 146 CB GLN A 10 1.705 3.308 -13.109 1.00 0.00 C ATOM 147 CG GLN A 10 1.997 2.324 -14.238 1.00 0.00 C ATOM 148 CD GLN A 10 3.404 1.750 -14.060 1.00 0.00 C ATOM 149 OE1 GLN A 10 3.649 0.985 -13.150 1.00 0.00 O ATOM 150 NE2 GLN A 10 4.346 2.089 -14.897 1.00 0.00 N ATOM 0 H GLN A 10 1.125 4.411 -10.906 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.021 2.175 -12.514 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.189 4.184 -13.503 1.00 0.00 H new ATOM 0 HB3 GLN A 10 2.639 3.659 -12.671 1.00 0.00 H new ATOM 0 HG2 GLN A 10 1.261 1.520 -14.234 1.00 0.00 H new ATOM 0 HG3 GLN A 10 1.916 2.825 -15.202 1.00 0.00 H new ATOM 0 HE21 GLN A 10 4.141 2.732 -15.662 1.00 0.00 H new ATOM 0 HE22 GLN A 10 5.287 1.711 -14.786 1.00 0.00 H new ATOM 159 N LEU A 11 2.389 2.018 -10.312 1.00 0.00 N ATOM 160 CA LEU A 11 3.214 1.098 -9.489 1.00 0.00 C ATOM 161 C LEU A 11 2.291 0.093 -8.802 1.00 0.00 C ATOM 162 O LEU A 11 2.582 -1.082 -8.703 1.00 0.00 O ATOM 163 CB LEU A 11 3.928 1.938 -8.431 1.00 0.00 C ATOM 164 CG LEU A 11 4.832 1.063 -7.579 1.00 0.00 C ATOM 165 CD1 LEU A 11 6.257 1.190 -8.091 1.00 0.00 C ATOM 166 CD2 LEU A 11 4.776 1.549 -6.135 1.00 0.00 C ATOM 0 H LEU A 11 2.448 2.999 -10.039 1.00 0.00 H new ATOM 0 HA LEU A 11 3.938 0.563 -10.104 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.517 2.718 -8.914 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.194 2.438 -7.799 1.00 0.00 H new ATOM 0 HG LEU A 11 4.507 0.024 -7.632 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.917 0.567 -7.488 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.300 0.865 -9.131 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.577 2.230 -8.022 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.422 0.926 -5.516 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.114 2.584 -6.086 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.751 1.485 -5.769 1.00 0.00 H new ATOM 178 N ILE A 12 1.175 0.567 -8.332 1.00 0.00 N ATOM 179 CA ILE A 12 0.192 -0.325 -7.640 1.00 0.00 C ATOM 180 C ILE A 12 -0.303 -1.403 -8.601 1.00 0.00 C ATOM 181 O ILE A 12 -0.340 -2.573 -8.274 1.00 0.00 O ATOM 182 CB ILE A 12 -1.007 0.505 -7.197 1.00 0.00 C ATOM 183 CG1 ILE A 12 -0.552 1.887 -6.719 1.00 0.00 C ATOM 184 CG2 ILE A 12 -1.740 -0.214 -6.072 1.00 0.00 C ATOM 185 CD1 ILE A 12 0.695 1.747 -5.846 1.00 0.00 C ATOM 0 H ILE A 12 0.893 1.545 -8.396 1.00 0.00 H new ATOM 0 HA ILE A 12 0.678 -0.790 -6.782 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.680 0.633 -8.045 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.338 2.526 -7.576 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.351 2.368 -6.154 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.597 0.382 -5.757 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.084 -1.186 -6.425 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.065 -0.353 -5.228 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.015 2.733 -5.508 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.466 1.124 -4.982 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.494 1.285 -6.425 1.00 0.00 H new ATOM 197 N VAL A 13 -0.702 -1.017 -9.778 1.00 0.00 N ATOM 198 CA VAL A 13 -1.216 -2.013 -10.755 1.00 0.00 C ATOM 199 C VAL A 13 -0.235 -3.173 -10.865 1.00 0.00 C ATOM 200 O VAL A 13 -0.603 -4.320 -10.722 1.00 0.00 O ATOM 201 CB VAL A 13 -1.363 -1.343 -12.114 1.00 0.00 C ATOM 202 CG1 VAL A 13 -1.974 -2.332 -13.105 1.00 0.00 C ATOM 203 CG2 VAL A 13 -2.273 -0.125 -11.968 1.00 0.00 C ATOM 0 H VAL A 13 -0.694 -0.051 -10.107 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.183 -2.390 -10.422 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.387 -1.028 -12.483 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.080 -1.853 -14.078 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.325 -3.203 -13.197 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.954 -2.647 -12.747 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.386 0.363 -12.936 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.251 -0.443 -11.606 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.833 0.575 -11.258 1.00 0.00 H new ATOM 213 N GLN A 14 1.013 -2.900 -11.095 1.00 0.00 N ATOM 214 CA GLN A 14 1.985 -4.016 -11.178 1.00 0.00 C ATOM 215 C GLN A 14 2.034 -4.697 -9.813 1.00 0.00 C ATOM 216 O GLN A 14 2.434 -5.837 -9.686 1.00 0.00 O ATOM 217 CB GLN A 14 3.365 -3.478 -11.544 1.00 0.00 C ATOM 218 CG GLN A 14 3.743 -3.965 -12.942 1.00 0.00 C ATOM 219 CD GLN A 14 5.053 -3.308 -13.367 1.00 0.00 C ATOM 220 OE1 GLN A 14 5.349 -3.219 -14.543 1.00 0.00 O ATOM 221 NE2 GLN A 14 5.857 -2.843 -12.453 1.00 0.00 N ATOM 0 H GLN A 14 1.399 -1.965 -11.228 1.00 0.00 H new ATOM 0 HA GLN A 14 1.682 -4.728 -11.945 1.00 0.00 H new ATOM 0 HB2 GLN A 14 3.363 -2.388 -11.514 1.00 0.00 H new ATOM 0 HB3 GLN A 14 4.104 -3.815 -10.817 1.00 0.00 H new ATOM 0 HG2 GLN A 14 3.849 -5.050 -12.946 1.00 0.00 H new ATOM 0 HG3 GLN A 14 2.953 -3.720 -13.651 1.00 0.00 H new ATOM 0 HE21 GLN A 14 5.607 -2.919 -11.467 1.00 0.00 H new ATOM 0 HE22 GLN A 14 6.737 -2.403 -12.723 1.00 0.00 H new ATOM 230 N ALA A 15 1.612 -4.002 -8.788 1.00 0.00 N ATOM 231 CA ALA A 15 1.615 -4.603 -7.429 1.00 0.00 C ATOM 232 C ALA A 15 0.552 -5.698 -7.363 1.00 0.00 C ATOM 233 O ALA A 15 0.867 -6.869 -7.294 1.00 0.00 O ATOM 234 CB ALA A 15 1.316 -3.529 -6.379 1.00 0.00 C ATOM 0 H ALA A 15 1.266 -3.044 -8.838 1.00 0.00 H new ATOM 0 HA ALA A 15 2.597 -5.030 -7.225 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.320 -3.979 -5.386 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.077 -2.751 -6.428 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.337 -3.092 -6.575 1.00 0.00 H new ATOM 240 N ILE A 16 -0.707 -5.340 -7.379 1.00 0.00 N ATOM 241 CA ILE A 16 -1.752 -6.404 -7.309 1.00 0.00 C ATOM 242 C ILE A 16 -1.823 -7.175 -8.629 1.00 0.00 C ATOM 243 O ILE A 16 -2.227 -8.321 -8.659 1.00 0.00 O ATOM 244 CB ILE A 16 -3.129 -5.824 -6.996 1.00 0.00 C ATOM 245 CG1 ILE A 16 -3.308 -4.415 -7.565 1.00 0.00 C ATOM 246 CG2 ILE A 16 -3.314 -5.765 -5.482 1.00 0.00 C ATOM 247 CD1 ILE A 16 -2.852 -4.340 -9.017 1.00 0.00 C ATOM 0 H ILE A 16 -1.050 -4.381 -7.436 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.467 -7.079 -6.502 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.872 -6.473 -7.460 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.356 -4.123 -7.496 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.739 -3.704 -6.966 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.296 -5.352 -5.251 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.237 -6.770 -5.067 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.542 -5.131 -5.046 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -2.993 -3.326 -9.391 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -1.797 -4.607 -9.081 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.439 -5.033 -9.619 1.00 0.00 H new ATOM 259 N SER A 17 -1.422 -6.579 -9.717 1.00 0.00 N ATOM 260 CA SER A 17 -1.462 -7.315 -11.007 1.00 0.00 C ATOM 261 C SER A 17 -0.507 -8.492 -10.893 1.00 0.00 C ATOM 262 O SER A 17 -0.540 -9.420 -11.677 1.00 0.00 O ATOM 263 CB SER A 17 -1.018 -6.399 -12.149 1.00 0.00 C ATOM 264 OG SER A 17 -1.973 -5.361 -12.316 1.00 0.00 O ATOM 0 H SER A 17 -1.071 -5.622 -9.768 1.00 0.00 H new ATOM 0 HA SER A 17 -2.475 -7.658 -11.218 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.038 -5.975 -11.931 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.920 -6.971 -13.072 1.00 0.00 H new ATOM 0 HG SER A 17 -1.922 -4.744 -11.556 1.00 0.00 H new ATOM 270 N SER A 18 0.341 -8.460 -9.903 1.00 0.00 N ATOM 271 CA SER A 18 1.300 -9.570 -9.708 1.00 0.00 C ATOM 272 C SER A 18 0.743 -10.523 -8.651 1.00 0.00 C ATOM 273 O SER A 18 1.274 -11.594 -8.437 1.00 0.00 O ATOM 274 CB SER A 18 2.643 -9.009 -9.239 1.00 0.00 C ATOM 275 OG SER A 18 2.645 -8.922 -7.819 1.00 0.00 O ATOM 0 H SER A 18 0.407 -7.706 -9.219 1.00 0.00 H new ATOM 0 HA SER A 18 1.445 -10.105 -10.647 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.456 -9.651 -9.577 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.812 -8.025 -9.676 1.00 0.00 H new ATOM 0 HG SER A 18 2.035 -8.210 -7.534 1.00 0.00 H new ATOM 281 N ALA A 19 -0.326 -10.154 -7.988 1.00 0.00 N ATOM 282 CA ALA A 19 -0.887 -11.073 -6.960 1.00 0.00 C ATOM 283 C ALA A 19 -2.000 -11.908 -7.597 1.00 0.00 C ATOM 284 O ALA A 19 -2.865 -11.375 -8.264 1.00 0.00 O ATOM 285 CB ALA A 19 -1.457 -10.255 -5.799 1.00 0.00 C ATOM 0 H ALA A 19 -0.824 -9.273 -8.113 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.103 -11.730 -6.583 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.868 -10.928 -5.047 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.664 -9.654 -5.354 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.246 -9.600 -6.168 1.00 0.00 H new ATOM 291 N GLN A 20 -1.992 -13.208 -7.405 1.00 0.00 N ATOM 292 CA GLN A 20 -3.066 -14.053 -8.011 1.00 0.00 C ATOM 293 C GLN A 20 -4.400 -13.329 -7.837 1.00 0.00 C ATOM 294 O GLN A 20 -5.120 -13.087 -8.786 1.00 0.00 O ATOM 295 CB GLN A 20 -3.116 -15.418 -7.314 1.00 0.00 C ATOM 296 CG GLN A 20 -3.044 -15.230 -5.796 1.00 0.00 C ATOM 297 CD GLN A 20 -2.660 -16.554 -5.133 1.00 0.00 C ATOM 298 OE1 GLN A 20 -1.561 -17.040 -5.310 1.00 0.00 O ATOM 299 NE2 GLN A 20 -3.528 -17.164 -4.372 1.00 0.00 N ATOM 0 H GLN A 20 -1.294 -13.714 -6.860 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.862 -14.215 -9.069 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.035 -15.939 -7.582 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -2.287 -16.040 -7.652 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -2.311 -14.462 -5.549 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -4.006 -14.887 -5.416 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -4.451 -16.756 -4.223 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -3.283 -18.048 -3.926 1.00 0.00 H new ATOM 308 N ASP A 21 -4.709 -12.944 -6.633 1.00 0.00 N ATOM 309 CA ASP A 21 -5.965 -12.193 -6.389 1.00 0.00 C ATOM 310 C ASP A 21 -5.648 -10.697 -6.494 1.00 0.00 C ATOM 311 O ASP A 21 -4.923 -10.163 -5.682 1.00 0.00 O ATOM 312 CB ASP A 21 -6.488 -12.513 -4.988 1.00 0.00 C ATOM 313 CG ASP A 21 -6.213 -13.984 -4.669 1.00 0.00 C ATOM 314 OD1 ASP A 21 -6.908 -14.828 -5.210 1.00 0.00 O ATOM 315 OD2 ASP A 21 -5.310 -14.241 -3.890 1.00 0.00 O ATOM 0 H ASP A 21 -4.141 -13.119 -5.804 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.725 -12.471 -7.119 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.003 -11.872 -4.251 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.558 -12.311 -4.932 1.00 0.00 H new ATOM 320 N ARG A 22 -6.159 -10.025 -7.495 1.00 0.00 N ATOM 321 CA ARG A 22 -5.867 -8.570 -7.653 1.00 0.00 C ATOM 322 C ARG A 22 -6.346 -7.802 -6.417 1.00 0.00 C ATOM 323 O ARG A 22 -7.320 -7.080 -6.460 1.00 0.00 O ATOM 324 CB ARG A 22 -6.592 -8.042 -8.893 1.00 0.00 C ATOM 325 CG ARG A 22 -6.341 -8.985 -10.072 1.00 0.00 C ATOM 326 CD ARG A 22 -5.955 -8.167 -11.305 1.00 0.00 C ATOM 327 NE ARG A 22 -4.803 -8.818 -11.994 1.00 0.00 N ATOM 328 CZ ARG A 22 -4.946 -9.292 -13.202 1.00 0.00 C ATOM 329 NH1 ARG A 22 -6.109 -9.734 -13.596 1.00 0.00 N ATOM 330 NH2 ARG A 22 -3.927 -9.323 -14.016 1.00 0.00 N ATOM 0 H ARG A 22 -6.767 -10.424 -8.210 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.792 -8.429 -7.765 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.661 -7.965 -8.697 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.239 -7.039 -9.134 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.546 -9.689 -9.826 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.235 -9.573 -10.278 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.804 -8.092 -11.985 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.690 -7.151 -11.012 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.903 -8.893 -11.521 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.906 -9.709 -12.960 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.221 -10.104 -14.540 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.018 -8.977 -13.709 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.039 -9.693 -14.960 1.00 0.00 H new ATOM 344 N GLN A 23 -5.658 -7.951 -5.319 1.00 0.00 N ATOM 345 CA GLN A 23 -6.051 -7.239 -4.074 1.00 0.00 C ATOM 346 C GLN A 23 -4.857 -7.231 -3.120 1.00 0.00 C ATOM 347 O GLN A 23 -4.375 -8.267 -2.707 1.00 0.00 O ATOM 348 CB GLN A 23 -7.235 -7.959 -3.418 1.00 0.00 C ATOM 349 CG GLN A 23 -6.753 -9.257 -2.765 1.00 0.00 C ATOM 350 CD GLN A 23 -7.962 -10.086 -2.324 1.00 0.00 C ATOM 351 OE1 GLN A 23 -9.086 -9.762 -2.647 1.00 0.00 O ATOM 352 NE2 GLN A 23 -7.774 -11.150 -1.591 1.00 0.00 N ATOM 0 H GLN A 23 -4.832 -8.542 -5.232 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.347 -6.216 -4.307 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.696 -7.314 -2.670 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.999 -8.178 -4.164 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.145 -9.826 -3.468 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -6.120 -9.032 -1.906 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -6.829 -11.422 -1.320 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -8.572 -11.709 -1.290 1.00 0.00 H new ATOM 361 N LEU A 24 -4.362 -6.076 -2.777 1.00 0.00 N ATOM 362 CA LEU A 24 -3.191 -6.018 -1.863 1.00 0.00 C ATOM 363 C LEU A 24 -3.536 -5.180 -0.633 1.00 0.00 C ATOM 364 O LEU A 24 -4.271 -4.218 -0.712 1.00 0.00 O ATOM 365 CB LEU A 24 -2.013 -5.366 -2.590 1.00 0.00 C ATOM 366 CG LEU A 24 -1.202 -6.434 -3.322 1.00 0.00 C ATOM 367 CD1 LEU A 24 -0.102 -5.761 -4.144 1.00 0.00 C ATOM 368 CD2 LEU A 24 -0.569 -7.381 -2.300 1.00 0.00 C ATOM 0 H LEU A 24 -4.717 -5.172 -3.089 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.928 -7.030 -1.555 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.378 -4.623 -3.300 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.379 -4.840 -1.876 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.857 -7.000 -3.985 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.478 -6.521 -4.667 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.553 -5.085 -4.870 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.554 -5.197 -3.481 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.010 -8.144 -2.821 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.087 -6.816 -1.638 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.353 -7.859 -1.712 1.00 0.00 H new ATOM 380 N THR A 25 -2.992 -5.524 0.498 1.00 0.00 N ATOM 381 CA THR A 25 -3.272 -4.725 1.721 1.00 0.00 C ATOM 382 C THR A 25 -2.393 -3.477 1.676 1.00 0.00 C ATOM 383 O THR A 25 -1.476 -3.391 0.882 1.00 0.00 O ATOM 384 CB THR A 25 -2.932 -5.548 2.969 1.00 0.00 C ATOM 385 OG1 THR A 25 -2.767 -4.675 4.078 1.00 0.00 O ATOM 386 CG2 THR A 25 -1.637 -6.327 2.735 1.00 0.00 C ATOM 0 H THR A 25 -2.368 -6.320 0.629 1.00 0.00 H new ATOM 0 HA THR A 25 -4.326 -4.450 1.761 1.00 0.00 H new ATOM 0 HB THR A 25 -3.741 -6.249 3.173 1.00 0.00 H new ATOM 0 HG1 THR A 25 -3.613 -4.216 4.262 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.398 -6.911 3.624 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.764 -6.996 1.884 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.825 -5.630 2.530 1.00 0.00 H new ATOM 394 N LEU A 26 -2.652 -2.505 2.502 1.00 0.00 N ATOM 395 CA LEU A 26 -1.806 -1.279 2.461 1.00 0.00 C ATOM 396 C LEU A 26 -0.336 -1.695 2.512 1.00 0.00 C ATOM 397 O LEU A 26 0.500 -1.128 1.841 1.00 0.00 O ATOM 398 CB LEU A 26 -2.121 -0.362 3.650 1.00 0.00 C ATOM 399 CG LEU A 26 -2.938 0.837 3.163 1.00 0.00 C ATOM 400 CD1 LEU A 26 -4.404 0.653 3.559 1.00 0.00 C ATOM 401 CD2 LEU A 26 -2.396 2.117 3.803 1.00 0.00 C ATOM 0 H LEU A 26 -3.401 -2.503 3.195 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.014 -0.732 1.541 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.677 -0.911 4.410 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.196 -0.021 4.116 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.861 0.910 2.078 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.985 1.508 3.212 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.792 -0.258 3.104 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.481 0.579 4.644 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.977 2.971 3.457 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.472 2.042 4.888 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.352 2.251 3.521 1.00 0.00 H new ATOM 413 N SER A 27 -0.017 -2.691 3.294 1.00 0.00 N ATOM 414 CA SER A 27 1.399 -3.149 3.380 1.00 0.00 C ATOM 415 C SER A 27 1.660 -4.220 2.317 1.00 0.00 C ATOM 416 O SER A 27 2.633 -4.944 2.378 1.00 0.00 O ATOM 417 CB SER A 27 1.660 -3.739 4.766 1.00 0.00 C ATOM 418 OG SER A 27 1.674 -2.694 5.728 1.00 0.00 O ATOM 0 H SER A 27 -0.676 -3.207 3.877 1.00 0.00 H new ATOM 0 HA SER A 27 2.063 -2.301 3.211 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.888 -4.467 5.015 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.612 -4.269 4.774 1.00 0.00 H new ATOM 0 HG SER A 27 1.839 -3.070 6.618 1.00 0.00 H new ATOM 424 N GLY A 28 0.813 -4.310 1.327 1.00 0.00 N ATOM 425 CA GLY A 28 1.031 -5.310 0.248 1.00 0.00 C ATOM 426 C GLY A 28 1.634 -4.558 -0.921 1.00 0.00 C ATOM 427 O GLY A 28 2.665 -4.909 -1.459 1.00 0.00 O ATOM 0 H GLY A 28 -0.021 -3.732 1.221 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.698 -6.104 0.584 1.00 0.00 H new ATOM 0 HA3 GLY A 28 0.092 -5.783 -0.038 1.00 0.00 H new ATOM 431 N ILE A 29 0.993 -3.490 -1.281 1.00 0.00 N ATOM 432 CA ILE A 29 1.490 -2.640 -2.374 1.00 0.00 C ATOM 433 C ILE A 29 2.914 -2.225 -2.028 1.00 0.00 C ATOM 434 O ILE A 29 3.755 -2.041 -2.887 1.00 0.00 O ATOM 435 CB ILE A 29 0.578 -1.418 -2.476 1.00 0.00 C ATOM 436 CG1 ILE A 29 0.789 -0.754 -3.828 1.00 0.00 C ATOM 437 CG2 ILE A 29 0.896 -0.425 -1.356 1.00 0.00 C ATOM 438 CD1 ILE A 29 2.217 -0.231 -3.893 1.00 0.00 C ATOM 0 H ILE A 29 0.126 -3.168 -0.851 1.00 0.00 H new ATOM 0 HA ILE A 29 1.490 -3.163 -3.330 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.461 -1.733 -2.377 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.610 -1.468 -4.632 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.080 0.063 -3.963 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.239 0.441 -1.440 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.742 -0.905 -0.390 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.934 -0.103 -1.439 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.385 0.249 -4.857 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.376 0.494 -3.095 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.914 -1.060 -3.774 1.00 0.00 H new ATOM 450 N TYR A 30 3.185 -2.094 -0.763 1.00 0.00 N ATOM 451 CA TYR A 30 4.553 -1.708 -0.326 1.00 0.00 C ATOM 452 C TYR A 30 5.452 -2.941 -0.348 1.00 0.00 C ATOM 453 O TYR A 30 6.531 -2.927 -0.907 1.00 0.00 O ATOM 454 CB TYR A 30 4.493 -1.131 1.089 1.00 0.00 C ATOM 455 CG TYR A 30 3.448 -0.049 1.120 1.00 0.00 C ATOM 456 CD1 TYR A 30 3.249 0.748 -0.009 1.00 0.00 C ATOM 457 CD2 TYR A 30 2.664 0.146 2.262 1.00 0.00 C ATOM 458 CE1 TYR A 30 2.272 1.741 -0.001 1.00 0.00 C ATOM 459 CE2 TYR A 30 1.680 1.142 2.268 1.00 0.00 C ATOM 460 CZ TYR A 30 1.485 1.940 1.137 1.00 0.00 C ATOM 461 OH TYR A 30 0.516 2.921 1.143 1.00 0.00 O ATOM 0 H TYR A 30 2.515 -2.238 -0.008 1.00 0.00 H new ATOM 0 HA TYR A 30 4.958 -0.953 -1.001 1.00 0.00 H new ATOM 0 HB2 TYR A 30 4.249 -1.914 1.807 1.00 0.00 H new ATOM 0 HB3 TYR A 30 5.464 -0.728 1.375 1.00 0.00 H new ATOM 0 HD1 TYR A 30 3.854 0.594 -0.890 1.00 0.00 H new ATOM 0 HD2 TYR A 30 2.817 -0.470 3.136 1.00 0.00 H new ATOM 0 HE1 TYR A 30 2.122 2.358 -0.875 1.00 0.00 H new ATOM 0 HE2 TYR A 30 1.071 1.294 3.147 1.00 0.00 H new ATOM 0 HH TYR A 30 0.784 3.642 1.751 1.00 0.00 H new ATOM 471 N ALA A 31 5.009 -4.015 0.245 1.00 0.00 N ATOM 472 CA ALA A 31 5.831 -5.254 0.247 1.00 0.00 C ATOM 473 C ALA A 31 6.006 -5.735 -1.194 1.00 0.00 C ATOM 474 O ALA A 31 6.822 -6.588 -1.481 1.00 0.00 O ATOM 475 CB ALA A 31 5.121 -6.336 1.064 1.00 0.00 C ATOM 0 H ALA A 31 4.113 -4.087 0.728 1.00 0.00 H new ATOM 0 HA ALA A 31 6.806 -5.051 0.690 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.723 -7.245 1.066 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.986 -5.988 2.088 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.148 -6.547 0.621 1.00 0.00 H new ATOM 481 N HIS A 32 5.242 -5.192 -2.107 1.00 0.00 N ATOM 482 CA HIS A 32 5.361 -5.618 -3.527 1.00 0.00 C ATOM 483 C HIS A 32 6.607 -4.983 -4.157 1.00 0.00 C ATOM 484 O HIS A 32 7.576 -5.655 -4.448 1.00 0.00 O ATOM 485 CB HIS A 32 4.114 -5.170 -4.291 1.00 0.00 C ATOM 486 CG HIS A 32 4.318 -5.442 -5.754 1.00 0.00 C ATOM 487 ND1 HIS A 32 3.970 -6.652 -6.334 1.00 0.00 N ATOM 488 CD2 HIS A 32 4.841 -4.677 -6.768 1.00 0.00 C ATOM 489 CE1 HIS A 32 4.287 -6.582 -7.640 1.00 0.00 C ATOM 490 NE2 HIS A 32 4.821 -5.399 -7.958 1.00 0.00 N ATOM 0 H HIS A 32 4.542 -4.472 -1.927 1.00 0.00 H new ATOM 0 HA HIS A 32 5.452 -6.703 -3.576 1.00 0.00 H new ATOM 0 HB2 HIS A 32 3.236 -5.704 -3.927 1.00 0.00 H new ATOM 0 HB3 HIS A 32 3.932 -4.108 -4.126 1.00 0.00 H new ATOM 0 HD2 HIS A 32 5.211 -3.668 -6.659 1.00 0.00 H new ATOM 0 HE1 HIS A 32 4.129 -7.384 -8.345 1.00 0.00 H new ATOM 0 HE2 HIS A 32 5.144 -5.091 -8.875 1.00 0.00 H new ATOM 498 N ILE A 33 6.592 -3.694 -4.367 1.00 0.00 N ATOM 499 CA ILE A 33 7.778 -3.016 -4.973 1.00 0.00 C ATOM 500 C ILE A 33 9.020 -3.359 -4.160 1.00 0.00 C ATOM 501 O ILE A 33 10.069 -3.644 -4.694 1.00 0.00 O ATOM 502 CB ILE A 33 7.565 -1.507 -4.936 1.00 0.00 C ATOM 503 CG1 ILE A 33 8.667 -0.815 -5.740 1.00 0.00 C ATOM 504 CG2 ILE A 33 7.614 -1.023 -3.489 1.00 0.00 C ATOM 505 CD1 ILE A 33 8.476 0.701 -5.673 1.00 0.00 C ATOM 0 H ILE A 33 5.809 -3.079 -4.145 1.00 0.00 H new ATOM 0 HA ILE A 33 7.904 -3.349 -6.003 1.00 0.00 H new ATOM 0 HB ILE A 33 6.594 -1.267 -5.369 1.00 0.00 H new ATOM 0 HG12 ILE A 33 9.645 -1.086 -5.343 1.00 0.00 H new ATOM 0 HG13 ILE A 33 8.639 -1.150 -6.777 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.462 0.056 -3.461 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.830 -1.515 -2.914 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.586 -1.264 -3.058 1.00 0.00 H new ATOM 0 HD11 ILE A 33 9.262 1.192 -6.246 1.00 0.00 H new ATOM 0 HD12 ILE A 33 7.504 0.964 -6.090 1.00 0.00 H new ATOM 0 HD13 ILE A 33 8.526 1.028 -4.635 1.00 0.00 H new ATOM 517 N THR A 34 8.906 -3.329 -2.869 1.00 0.00 N ATOM 518 CA THR A 34 10.079 -3.651 -2.013 1.00 0.00 C ATOM 519 C THR A 34 10.575 -5.061 -2.344 1.00 0.00 C ATOM 520 O THR A 34 11.726 -5.390 -2.138 1.00 0.00 O ATOM 521 CB THR A 34 9.664 -3.584 -0.542 1.00 0.00 C ATOM 522 OG1 THR A 34 8.505 -4.383 -0.344 1.00 0.00 O ATOM 523 CG2 THR A 34 9.355 -2.135 -0.165 1.00 0.00 C ATOM 0 H THR A 34 8.051 -3.095 -2.365 1.00 0.00 H new ATOM 0 HA THR A 34 10.878 -2.933 -2.197 1.00 0.00 H new ATOM 0 HB THR A 34 10.475 -3.956 0.084 1.00 0.00 H new ATOM 0 HG1 THR A 34 7.703 -3.834 -0.473 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.059 -2.087 0.883 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.242 -1.521 -0.320 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.543 -1.762 -0.789 1.00 0.00 H new ATOM 531 N LYS A 35 9.713 -5.897 -2.858 1.00 0.00 N ATOM 532 CA LYS A 35 10.130 -7.285 -3.204 1.00 0.00 C ATOM 533 C LYS A 35 10.715 -7.321 -4.622 1.00 0.00 C ATOM 534 O LYS A 35 11.803 -7.814 -4.840 1.00 0.00 O ATOM 535 CB LYS A 35 8.918 -8.215 -3.130 1.00 0.00 C ATOM 536 CG LYS A 35 9.193 -9.332 -2.122 1.00 0.00 C ATOM 537 CD LYS A 35 8.514 -10.621 -2.589 1.00 0.00 C ATOM 538 CE LYS A 35 8.402 -11.596 -1.415 1.00 0.00 C ATOM 539 NZ LYS A 35 9.272 -12.779 -1.671 1.00 0.00 N ATOM 0 H LYS A 35 8.736 -5.677 -3.053 1.00 0.00 H new ATOM 0 HA LYS A 35 10.890 -7.615 -2.496 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.032 -7.653 -2.833 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.712 -8.640 -4.112 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.267 -9.490 -2.022 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.820 -9.048 -1.138 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.524 -10.399 -2.986 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.088 -11.074 -3.398 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.701 -11.104 -0.489 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.367 -11.912 -1.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.198 -13.443 -0.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.967 -13.252 -2.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.259 -12.468 -1.772 1.00 0.00 H new ATOM 553 N HIS A 36 9.996 -6.815 -5.589 1.00 0.00 N ATOM 554 CA HIS A 36 10.507 -6.837 -6.992 1.00 0.00 C ATOM 555 C HIS A 36 11.457 -5.661 -7.228 1.00 0.00 C ATOM 556 O HIS A 36 12.389 -5.750 -8.001 1.00 0.00 O ATOM 557 CB HIS A 36 9.330 -6.729 -7.965 1.00 0.00 C ATOM 558 CG HIS A 36 8.565 -8.024 -7.975 1.00 0.00 C ATOM 559 ND1 HIS A 36 8.638 -8.918 -9.031 1.00 0.00 N ATOM 560 CD2 HIS A 36 7.706 -8.589 -7.065 1.00 0.00 C ATOM 561 CE1 HIS A 36 7.845 -9.964 -8.733 1.00 0.00 C ATOM 562 NE2 HIS A 36 7.253 -9.814 -7.546 1.00 0.00 N ATOM 0 H HIS A 36 9.078 -6.388 -5.469 1.00 0.00 H new ATOM 0 HA HIS A 36 11.043 -7.772 -7.156 1.00 0.00 H new ATOM 0 HB2 HIS A 36 8.675 -5.910 -7.670 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.693 -6.501 -8.967 1.00 0.00 H new ATOM 0 HD2 HIS A 36 7.425 -8.150 -6.119 1.00 0.00 H new ATOM 0 HE1 HIS A 36 7.705 -10.820 -9.376 1.00 0.00 H new ATOM 0 HE2 HIS A 36 6.607 -10.459 -7.090 1.00 0.00 H new ATOM 570 N TYR A 37 11.224 -4.556 -6.578 1.00 0.00 N ATOM 571 CA TYR A 37 12.112 -3.376 -6.778 1.00 0.00 C ATOM 572 C TYR A 37 13.213 -3.377 -5.705 1.00 0.00 C ATOM 573 O TYR A 37 12.924 -3.484 -4.529 1.00 0.00 O ATOM 574 CB TYR A 37 11.279 -2.094 -6.675 1.00 0.00 C ATOM 575 CG TYR A 37 11.436 -1.294 -7.940 1.00 0.00 C ATOM 576 CD1 TYR A 37 11.290 -1.924 -9.178 1.00 0.00 C ATOM 577 CD2 TYR A 37 11.721 0.074 -7.876 1.00 0.00 C ATOM 578 CE1 TYR A 37 11.428 -1.188 -10.358 1.00 0.00 C ATOM 579 CE2 TYR A 37 11.859 0.812 -9.056 1.00 0.00 C ATOM 580 CZ TYR A 37 11.714 0.182 -10.298 1.00 0.00 C ATOM 581 OH TYR A 37 11.851 0.910 -11.462 1.00 0.00 O ATOM 0 H TYR A 37 10.459 -4.418 -5.918 1.00 0.00 H new ATOM 0 HA TYR A 37 12.576 -3.424 -7.763 1.00 0.00 H new ATOM 0 HB2 TYR A 37 10.229 -2.341 -6.515 1.00 0.00 H new ATOM 0 HB3 TYR A 37 11.602 -1.505 -5.817 1.00 0.00 H new ATOM 0 HD1 TYR A 37 11.070 -2.980 -9.223 1.00 0.00 H new ATOM 0 HD2 TYR A 37 11.834 0.559 -6.918 1.00 0.00 H new ATOM 0 HE1 TYR A 37 11.314 -1.675 -11.315 1.00 0.00 H new ATOM 0 HE2 TYR A 37 12.078 1.869 -9.009 1.00 0.00 H new ATOM 0 HH TYR A 37 12.094 1.834 -11.243 1.00 0.00 H new ATOM 591 N PRO A 38 14.447 -3.276 -6.144 1.00 0.00 N ATOM 592 CA PRO A 38 15.618 -3.282 -5.245 1.00 0.00 C ATOM 593 C PRO A 38 15.834 -1.915 -4.583 1.00 0.00 C ATOM 594 O PRO A 38 16.487 -1.812 -3.563 1.00 0.00 O ATOM 595 CB PRO A 38 16.785 -3.613 -6.180 1.00 0.00 C ATOM 596 CG PRO A 38 16.330 -3.216 -7.605 1.00 0.00 C ATOM 597 CD PRO A 38 14.793 -3.151 -7.576 1.00 0.00 C ATOM 0 HA PRO A 38 15.504 -3.990 -4.424 1.00 0.00 H new ATOM 0 HB2 PRO A 38 17.681 -3.064 -5.892 1.00 0.00 H new ATOM 0 HB3 PRO A 38 17.032 -4.674 -6.133 1.00 0.00 H new ATOM 0 HG2 PRO A 38 16.753 -2.253 -7.892 1.00 0.00 H new ATOM 0 HG3 PRO A 38 16.673 -3.946 -8.338 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.427 -2.213 -7.993 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.350 -3.955 -8.164 1.00 0.00 H new ATOM 605 N TYR A 39 15.311 -0.863 -5.149 1.00 0.00 N ATOM 606 CA TYR A 39 15.517 0.482 -4.536 1.00 0.00 C ATOM 607 C TYR A 39 14.581 0.662 -3.338 1.00 0.00 C ATOM 608 O TYR A 39 15.015 0.940 -2.238 1.00 0.00 O ATOM 609 CB TYR A 39 15.237 1.577 -5.570 1.00 0.00 C ATOM 610 CG TYR A 39 15.510 2.928 -4.954 1.00 0.00 C ATOM 611 CD1 TYR A 39 16.782 3.222 -4.452 1.00 0.00 C ATOM 612 CD2 TYR A 39 14.489 3.883 -4.879 1.00 0.00 C ATOM 613 CE1 TYR A 39 17.036 4.474 -3.877 1.00 0.00 C ATOM 614 CE2 TYR A 39 14.743 5.134 -4.304 1.00 0.00 C ATOM 615 CZ TYR A 39 16.016 5.430 -3.803 1.00 0.00 C ATOM 616 OH TYR A 39 16.265 6.663 -3.236 1.00 0.00 O ATOM 0 H TYR A 39 14.754 -0.874 -6.003 1.00 0.00 H new ATOM 0 HA TYR A 39 16.551 0.558 -4.200 1.00 0.00 H new ATOM 0 HB2 TYR A 39 15.865 1.432 -6.449 1.00 0.00 H new ATOM 0 HB3 TYR A 39 14.201 1.520 -5.905 1.00 0.00 H new ATOM 0 HD1 TYR A 39 17.568 2.484 -4.508 1.00 0.00 H new ATOM 0 HD2 TYR A 39 13.506 3.655 -5.264 1.00 0.00 H new ATOM 0 HE1 TYR A 39 18.019 4.702 -3.491 1.00 0.00 H new ATOM 0 HE2 TYR A 39 13.956 5.871 -4.247 1.00 0.00 H new ATOM 0 HH TYR A 39 17.206 6.902 -3.373 1.00 0.00 H new ATOM 626 N TYR A 40 13.301 0.508 -3.538 1.00 0.00 N ATOM 627 CA TYR A 40 12.348 0.678 -2.405 1.00 0.00 C ATOM 628 C TYR A 40 12.620 -0.391 -1.343 1.00 0.00 C ATOM 629 O TYR A 40 11.947 -1.399 -1.278 1.00 0.00 O ATOM 630 CB TYR A 40 10.915 0.537 -2.919 1.00 0.00 C ATOM 631 CG TYR A 40 10.398 1.891 -3.346 1.00 0.00 C ATOM 632 CD1 TYR A 40 11.287 2.857 -3.831 1.00 0.00 C ATOM 633 CD2 TYR A 40 9.031 2.182 -3.254 1.00 0.00 C ATOM 634 CE1 TYR A 40 10.809 4.114 -4.225 1.00 0.00 C ATOM 635 CE2 TYR A 40 8.555 3.438 -3.649 1.00 0.00 C ATOM 636 CZ TYR A 40 9.442 4.403 -4.135 1.00 0.00 C ATOM 637 OH TYR A 40 8.973 5.642 -4.520 1.00 0.00 O ATOM 0 H TYR A 40 12.875 0.272 -4.434 1.00 0.00 H new ATOM 0 HA TYR A 40 12.479 1.666 -1.965 1.00 0.00 H new ATOM 0 HB2 TYR A 40 10.885 -0.157 -3.759 1.00 0.00 H new ATOM 0 HB3 TYR A 40 10.277 0.121 -2.139 1.00 0.00 H new ATOM 0 HD1 TYR A 40 12.341 2.634 -3.902 1.00 0.00 H new ATOM 0 HD2 TYR A 40 8.344 1.438 -2.878 1.00 0.00 H new ATOM 0 HE1 TYR A 40 11.495 4.860 -4.598 1.00 0.00 H new ATOM 0 HE2 TYR A 40 7.501 3.662 -3.578 1.00 0.00 H new ATOM 0 HH TYR A 40 9.546 6.003 -5.229 1.00 0.00 H new ATOM 647 N ARG A 41 13.601 -0.177 -0.509 1.00 0.00 N ATOM 648 CA ARG A 41 13.911 -1.183 0.547 1.00 0.00 C ATOM 649 C ARG A 41 14.061 -0.477 1.898 1.00 0.00 C ATOM 650 O ARG A 41 13.289 -0.696 2.812 1.00 0.00 O ATOM 651 CB ARG A 41 15.218 -1.900 0.201 1.00 0.00 C ATOM 652 CG ARG A 41 15.074 -2.603 -1.150 1.00 0.00 C ATOM 653 CD ARG A 41 14.540 -4.021 -0.935 1.00 0.00 C ATOM 654 NE ARG A 41 14.479 -4.734 -2.243 1.00 0.00 N ATOM 655 CZ ARG A 41 14.623 -6.031 -2.287 1.00 0.00 C ATOM 656 NH1 ARG A 41 13.706 -6.806 -1.777 1.00 0.00 N ATOM 657 NH2 ARG A 41 15.684 -6.551 -2.840 1.00 0.00 N ATOM 0 H ARG A 41 14.200 0.649 -0.513 1.00 0.00 H new ATOM 0 HA ARG A 41 13.101 -1.910 0.604 1.00 0.00 H new ATOM 0 HB2 ARG A 41 16.039 -1.184 0.164 1.00 0.00 H new ATOM 0 HB3 ARG A 41 15.463 -2.626 0.976 1.00 0.00 H new ATOM 0 HG2 ARG A 41 14.396 -2.042 -1.793 1.00 0.00 H new ATOM 0 HG3 ARG A 41 16.038 -2.639 -1.657 1.00 0.00 H new ATOM 0 HD2 ARG A 41 15.185 -4.563 -0.243 1.00 0.00 H new ATOM 0 HD3 ARG A 41 13.549 -3.983 -0.483 1.00 0.00 H new ATOM 0 HE ARG A 41 14.325 -4.209 -3.104 1.00 0.00 H new ATOM 0 HH11 ARG A 41 12.877 -6.399 -1.344 1.00 0.00 H new ATOM 0 HH12 ARG A 41 13.818 -7.819 -1.811 1.00 0.00 H new ATOM 0 HH21 ARG A 41 16.401 -5.944 -3.238 1.00 0.00 H new ATOM 0 HH22 ARG A 41 15.797 -7.564 -2.874 1.00 0.00 H new ATOM 671 N THR A 42 15.047 0.365 2.034 1.00 0.00 N ATOM 672 CA THR A 42 15.245 1.081 3.326 1.00 0.00 C ATOM 673 C THR A 42 14.527 2.430 3.276 1.00 0.00 C ATOM 674 O THR A 42 13.821 2.802 4.192 1.00 0.00 O ATOM 675 CB THR A 42 16.741 1.308 3.561 1.00 0.00 C ATOM 676 OG1 THR A 42 16.931 1.919 4.830 1.00 0.00 O ATOM 677 CG2 THR A 42 17.299 2.216 2.464 1.00 0.00 C ATOM 0 H THR A 42 15.725 0.589 1.306 1.00 0.00 H new ATOM 0 HA THR A 42 14.837 0.481 4.139 1.00 0.00 H new ATOM 0 HB THR A 42 17.264 0.352 3.537 1.00 0.00 H new ATOM 0 HG1 THR A 42 17.888 2.064 4.983 1.00 0.00 H new ATOM 0 HG21 THR A 42 18.364 2.377 2.632 1.00 0.00 H new ATOM 0 HG22 THR A 42 17.152 1.745 1.492 1.00 0.00 H new ATOM 0 HG23 THR A 42 16.779 3.174 2.485 1.00 0.00 H new ATOM 685 N ALA A 43 14.700 3.166 2.214 1.00 0.00 N ATOM 686 CA ALA A 43 14.027 4.489 2.107 1.00 0.00 C ATOM 687 C ALA A 43 12.550 4.277 1.770 1.00 0.00 C ATOM 688 O ALA A 43 12.216 3.563 0.844 1.00 0.00 O ATOM 689 CB ALA A 43 14.687 5.309 0.995 1.00 0.00 C ATOM 0 H ALA A 43 15.279 2.908 1.415 1.00 0.00 H new ATOM 0 HA ALA A 43 14.116 5.022 3.054 1.00 0.00 H new ATOM 0 HB1 ALA A 43 14.194 6.278 0.916 1.00 0.00 H new ATOM 0 HB2 ALA A 43 15.742 5.456 1.228 1.00 0.00 H new ATOM 0 HB3 ALA A 43 14.596 4.777 0.048 1.00 0.00 H new ATOM 695 N ASP A 44 11.655 4.884 2.506 1.00 0.00 N ATOM 696 CA ASP A 44 10.208 4.698 2.206 1.00 0.00 C ATOM 697 C ASP A 44 9.372 5.697 3.009 1.00 0.00 C ATOM 698 O ASP A 44 8.215 5.464 3.285 1.00 0.00 O ATOM 699 CB ASP A 44 9.793 3.273 2.581 1.00 0.00 C ATOM 700 CG ASP A 44 10.556 2.829 3.830 1.00 0.00 C ATOM 701 OD1 ASP A 44 10.137 3.191 4.917 1.00 0.00 O ATOM 702 OD2 ASP A 44 11.548 2.134 3.677 1.00 0.00 O ATOM 0 H ASP A 44 11.863 5.495 3.295 1.00 0.00 H new ATOM 0 HA ASP A 44 10.039 4.866 1.142 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.719 3.232 2.765 1.00 0.00 H new ATOM 0 HB3 ASP A 44 10.001 2.593 1.755 1.00 0.00 H new ATOM 707 N LYS A 45 9.939 6.808 3.388 1.00 0.00 N ATOM 708 CA LYS A 45 9.157 7.808 4.168 1.00 0.00 C ATOM 709 C LYS A 45 8.494 8.803 3.210 1.00 0.00 C ATOM 710 O LYS A 45 8.855 9.962 3.164 1.00 0.00 O ATOM 711 CB LYS A 45 10.088 8.559 5.121 1.00 0.00 C ATOM 712 CG LYS A 45 9.272 9.548 5.956 1.00 0.00 C ATOM 713 CD LYS A 45 10.120 10.789 6.248 1.00 0.00 C ATOM 714 CE LYS A 45 10.083 11.092 7.746 1.00 0.00 C ATOM 715 NZ LYS A 45 9.670 12.509 7.957 1.00 0.00 N ATOM 0 H LYS A 45 10.906 7.067 3.193 1.00 0.00 H new ATOM 0 HA LYS A 45 8.388 7.293 4.745 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.604 7.854 5.773 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.854 9.089 4.556 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.366 9.831 5.421 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.958 9.081 6.889 1.00 0.00 H new ATOM 0 HD2 LYS A 45 11.148 10.624 5.925 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.742 11.642 5.684 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.385 10.420 8.246 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.065 10.919 8.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.645 12.715 8.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.352 13.142 7.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.725 12.659 7.550 1.00 0.00 H new ATOM 729 N GLY A 46 7.528 8.367 2.443 1.00 0.00 N ATOM 730 CA GLY A 46 6.858 9.308 1.498 1.00 0.00 C ATOM 731 C GLY A 46 5.771 8.579 0.697 1.00 0.00 C ATOM 732 O GLY A 46 4.592 8.760 0.927 1.00 0.00 O ATOM 0 H GLY A 46 7.177 7.409 2.430 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.416 10.136 2.052 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.594 9.736 0.818 1.00 0.00 H new ATOM 736 N TRP A 47 6.158 7.777 -0.259 1.00 0.00 N ATOM 737 CA TRP A 47 5.147 7.060 -1.090 1.00 0.00 C ATOM 738 C TRP A 47 4.246 6.190 -0.216 1.00 0.00 C ATOM 739 O TRP A 47 3.204 5.738 -0.647 1.00 0.00 O ATOM 740 CB TRP A 47 5.857 6.172 -2.111 1.00 0.00 C ATOM 741 CG TRP A 47 6.560 5.046 -1.418 1.00 0.00 C ATOM 742 CD1 TRP A 47 7.550 5.184 -0.503 1.00 0.00 C ATOM 743 CD2 TRP A 47 6.351 3.611 -1.576 1.00 0.00 C ATOM 744 NE1 TRP A 47 7.970 3.930 -0.105 1.00 0.00 N ATOM 745 CE2 TRP A 47 7.264 2.930 -0.735 1.00 0.00 C ATOM 746 CE3 TRP A 47 5.472 2.840 -2.363 1.00 0.00 C ATOM 747 CZ2 TRP A 47 7.309 1.541 -0.677 1.00 0.00 C ATOM 748 CZ3 TRP A 47 5.518 1.437 -2.304 1.00 0.00 C ATOM 749 CH2 TRP A 47 6.437 0.791 -1.463 1.00 0.00 C ATOM 0 H TRP A 47 7.131 7.587 -0.500 1.00 0.00 H new ATOM 0 HA TRP A 47 4.535 7.803 -1.601 1.00 0.00 H new ATOM 0 HB2 TRP A 47 5.134 5.775 -2.824 1.00 0.00 H new ATOM 0 HB3 TRP A 47 6.575 6.763 -2.681 1.00 0.00 H new ATOM 0 HD1 TRP A 47 7.946 6.122 -0.143 1.00 0.00 H new ATOM 0 HE1 TRP A 47 8.713 3.765 0.574 1.00 0.00 H new ATOM 0 HE3 TRP A 47 4.761 3.329 -3.013 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 8.016 1.047 -0.027 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 4.842 0.852 -2.910 1.00 0.00 H new ATOM 0 HH2 TRP A 47 6.468 -0.288 -1.425 1.00 0.00 H new ATOM 760 N GLN A 48 4.625 5.946 1.006 1.00 0.00 N ATOM 761 CA GLN A 48 3.763 5.104 1.879 1.00 0.00 C ATOM 762 C GLN A 48 2.378 5.746 1.970 1.00 0.00 C ATOM 763 O GLN A 48 1.381 5.150 1.612 1.00 0.00 O ATOM 764 CB GLN A 48 4.382 5.001 3.272 1.00 0.00 C ATOM 765 CG GLN A 48 5.829 4.521 3.153 1.00 0.00 C ATOM 766 CD GLN A 48 5.849 3.066 2.684 1.00 0.00 C ATOM 767 OE1 GLN A 48 6.088 2.167 3.466 1.00 0.00 O ATOM 768 NE2 GLN A 48 5.608 2.795 1.430 1.00 0.00 N ATOM 0 H GLN A 48 5.485 6.289 1.435 1.00 0.00 H new ATOM 0 HA GLN A 48 3.677 4.102 1.459 1.00 0.00 H new ATOM 0 HB2 GLN A 48 4.349 5.971 3.769 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.807 4.308 3.887 1.00 0.00 H new ATOM 0 HG2 GLN A 48 6.374 5.149 2.448 1.00 0.00 H new ATOM 0 HG3 GLN A 48 6.333 4.611 4.115 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.407 3.550 0.774 1.00 0.00 H new ATOM 0 HE22 GLN A 48 5.620 1.828 1.106 1.00 0.00 H new ATOM 777 N ASN A 49 2.308 6.966 2.430 1.00 0.00 N ATOM 778 CA ASN A 49 0.990 7.651 2.525 1.00 0.00 C ATOM 779 C ASN A 49 0.514 8.012 1.118 1.00 0.00 C ATOM 780 O ASN A 49 -0.638 8.332 0.902 1.00 0.00 O ATOM 781 CB ASN A 49 1.134 8.927 3.359 1.00 0.00 C ATOM 782 CG ASN A 49 -0.010 9.005 4.372 1.00 0.00 C ATOM 783 OD1 ASN A 49 -0.016 8.290 5.354 1.00 0.00 O ATOM 784 ND2 ASN A 49 -0.985 9.851 4.175 1.00 0.00 N ATOM 0 H ASN A 49 3.107 7.517 2.744 1.00 0.00 H new ATOM 0 HA ASN A 49 0.266 6.990 3.002 1.00 0.00 H new ATOM 0 HB2 ASN A 49 2.093 8.930 3.877 1.00 0.00 H new ATOM 0 HB3 ASN A 49 1.120 9.802 2.710 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -1.751 9.911 4.846 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -0.980 10.452 3.351 1.00 0.00 H new ATOM 791 N SER A 50 1.396 7.961 0.158 1.00 0.00 N ATOM 792 CA SER A 50 1.001 8.298 -1.237 1.00 0.00 C ATOM 793 C SER A 50 0.108 7.190 -1.796 1.00 0.00 C ATOM 794 O SER A 50 -1.034 7.420 -2.143 1.00 0.00 O ATOM 795 CB SER A 50 2.252 8.430 -2.105 1.00 0.00 C ATOM 796 OG SER A 50 2.659 7.139 -2.541 1.00 0.00 O ATOM 0 H SER A 50 2.374 7.700 0.281 1.00 0.00 H new ATOM 0 HA SER A 50 0.456 9.242 -1.241 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.047 9.069 -2.964 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.053 8.905 -1.539 1.00 0.00 H new ATOM 0 HG SER A 50 2.942 7.184 -3.478 1.00 0.00 H new ATOM 802 N ILE A 51 0.614 5.990 -1.891 1.00 0.00 N ATOM 803 CA ILE A 51 -0.217 4.877 -2.431 1.00 0.00 C ATOM 804 C ILE A 51 -1.612 4.940 -1.806 1.00 0.00 C ATOM 805 O ILE A 51 -2.607 5.000 -2.499 1.00 0.00 O ATOM 806 CB ILE A 51 0.436 3.529 -2.102 1.00 0.00 C ATOM 807 CG1 ILE A 51 1.779 3.370 -2.837 1.00 0.00 C ATOM 808 CG2 ILE A 51 -0.489 2.396 -2.533 1.00 0.00 C ATOM 809 CD1 ILE A 51 1.816 4.213 -4.109 1.00 0.00 C ATOM 0 H ILE A 51 1.563 5.733 -1.619 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.296 4.977 -3.514 1.00 0.00 H new ATOM 0 HB ILE A 51 0.612 3.493 -1.027 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.595 3.666 -2.177 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.937 2.321 -3.088 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.024 1.438 -2.299 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.437 2.479 -2.002 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.667 2.460 -3.606 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.777 4.080 -4.606 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.015 3.898 -4.778 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.683 5.264 -3.853 1.00 0.00 H new ATOM 821 N ARG A 52 -1.696 4.938 -0.503 1.00 0.00 N ATOM 822 CA ARG A 52 -3.036 5.010 0.147 1.00 0.00 C ATOM 823 C ARG A 52 -3.815 6.172 -0.471 1.00 0.00 C ATOM 824 O ARG A 52 -4.981 6.053 -0.791 1.00 0.00 O ATOM 825 CB ARG A 52 -2.869 5.244 1.650 1.00 0.00 C ATOM 826 CG ARG A 52 -4.236 5.172 2.333 1.00 0.00 C ATOM 827 CD ARG A 52 -4.827 6.579 2.445 1.00 0.00 C ATOM 828 NE ARG A 52 -3.958 7.415 3.318 1.00 0.00 N ATOM 829 CZ ARG A 52 -4.243 7.550 4.585 1.00 0.00 C ATOM 830 NH1 ARG A 52 -5.072 8.478 4.973 1.00 0.00 N ATOM 831 NH2 ARG A 52 -3.695 6.756 5.464 1.00 0.00 N ATOM 0 H ARG A 52 -0.902 4.890 0.135 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.575 4.075 -0.007 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.199 4.495 2.073 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.412 6.217 1.829 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.906 4.529 1.762 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.136 4.728 3.324 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.909 7.030 1.456 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.835 6.530 2.857 1.00 0.00 H new ATOM 0 HE ARG A 52 -3.140 7.882 2.926 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -5.499 9.100 4.286 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -5.294 8.582 5.963 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -3.045 6.031 5.161 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -3.917 6.861 6.454 1.00 0.00 H new ATOM 845 N HIS A 53 -3.170 7.292 -0.653 1.00 0.00 N ATOM 846 CA HIS A 53 -3.860 8.460 -1.264 1.00 0.00 C ATOM 847 C HIS A 53 -4.072 8.183 -2.754 1.00 0.00 C ATOM 848 O HIS A 53 -5.098 8.507 -3.318 1.00 0.00 O ATOM 849 CB HIS A 53 -2.992 9.710 -1.092 1.00 0.00 C ATOM 850 CG HIS A 53 -3.864 10.936 -1.092 1.00 0.00 C ATOM 851 ND1 HIS A 53 -3.427 12.154 -1.594 1.00 0.00 N ATOM 852 CD2 HIS A 53 -5.146 11.151 -0.651 1.00 0.00 C ATOM 853 CE1 HIS A 53 -4.431 13.038 -1.443 1.00 0.00 C ATOM 854 NE2 HIS A 53 -5.502 12.478 -0.874 1.00 0.00 N ATOM 0 H HIS A 53 -2.193 7.447 -0.404 1.00 0.00 H new ATOM 0 HA HIS A 53 -4.822 8.622 -0.778 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -2.432 9.650 -0.159 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -2.262 9.771 -1.899 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -5.782 10.404 -0.200 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -4.377 14.074 -1.745 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -6.390 12.927 -0.651 1.00 0.00 H new ATOM 862 N ASN A 54 -3.107 7.574 -3.393 1.00 0.00 N ATOM 863 CA ASN A 54 -3.245 7.262 -4.844 1.00 0.00 C ATOM 864 C ASN A 54 -4.327 6.201 -5.028 1.00 0.00 C ATOM 865 O ASN A 54 -5.150 6.285 -5.919 1.00 0.00 O ATOM 866 CB ASN A 54 -1.918 6.719 -5.377 1.00 0.00 C ATOM 867 CG ASN A 54 -0.943 7.877 -5.594 1.00 0.00 C ATOM 868 OD1 ASN A 54 -1.176 8.737 -6.419 1.00 0.00 O ATOM 869 ND2 ASN A 54 0.148 7.937 -4.880 1.00 0.00 N ATOM 0 H ASN A 54 -2.227 7.279 -2.970 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.516 8.167 -5.387 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -1.497 6.002 -4.672 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.081 6.186 -6.314 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.804 8.706 -5.015 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.344 7.215 -4.187 1.00 0.00 H new ATOM 876 N LEU A 55 -4.333 5.204 -4.190 1.00 0.00 N ATOM 877 CA LEU A 55 -5.357 4.136 -4.312 1.00 0.00 C ATOM 878 C LEU A 55 -6.753 4.767 -4.287 1.00 0.00 C ATOM 879 O LEU A 55 -7.724 4.162 -4.693 1.00 0.00 O ATOM 880 CB LEU A 55 -5.210 3.165 -3.140 1.00 0.00 C ATOM 881 CG LEU A 55 -3.821 2.521 -3.172 1.00 0.00 C ATOM 882 CD1 LEU A 55 -3.386 2.187 -1.745 1.00 0.00 C ATOM 883 CD2 LEU A 55 -3.873 1.236 -4.003 1.00 0.00 C ATOM 0 H LEU A 55 -3.670 5.084 -3.424 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.221 3.598 -5.250 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.354 3.693 -2.198 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.979 2.395 -3.195 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.108 3.213 -3.619 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.397 1.728 -1.764 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.351 3.101 -1.152 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.099 1.493 -1.300 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.884 0.777 -4.026 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.585 0.542 -3.556 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.187 1.473 -5.020 1.00 0.00 H new ATOM 895 N SER A 56 -6.858 5.982 -3.818 1.00 0.00 N ATOM 896 CA SER A 56 -8.188 6.654 -3.772 1.00 0.00 C ATOM 897 C SER A 56 -8.456 7.348 -5.110 1.00 0.00 C ATOM 898 O SER A 56 -9.512 7.205 -5.693 1.00 0.00 O ATOM 899 CB SER A 56 -8.194 7.694 -2.650 1.00 0.00 C ATOM 900 OG SER A 56 -8.358 7.036 -1.401 1.00 0.00 O ATOM 0 H SER A 56 -6.079 6.538 -3.465 1.00 0.00 H new ATOM 0 HA SER A 56 -8.964 5.912 -3.585 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.262 8.259 -2.657 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.001 8.410 -2.806 1.00 0.00 H new ATOM 0 HG SER A 56 -8.361 7.699 -0.680 1.00 0.00 H new ATOM 906 N LEU A 57 -7.506 8.098 -5.601 1.00 0.00 N ATOM 907 CA LEU A 57 -7.703 8.803 -6.900 1.00 0.00 C ATOM 908 C LEU A 57 -7.764 7.779 -8.033 1.00 0.00 C ATOM 909 O LEU A 57 -8.490 7.941 -8.995 1.00 0.00 O ATOM 910 CB LEU A 57 -6.529 9.749 -7.155 1.00 0.00 C ATOM 911 CG LEU A 57 -6.510 10.851 -6.096 1.00 0.00 C ATOM 912 CD1 LEU A 57 -5.594 10.436 -4.945 1.00 0.00 C ATOM 913 CD2 LEU A 57 -5.984 12.143 -6.725 1.00 0.00 C ATOM 0 H LEU A 57 -6.601 8.253 -5.157 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.633 9.370 -6.860 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.591 9.194 -7.131 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.614 10.189 -8.149 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.519 11.012 -5.716 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.580 11.222 -4.190 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.964 9.512 -4.501 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.584 10.278 -5.323 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.968 12.933 -5.974 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.974 11.980 -7.101 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.635 12.438 -7.548 1.00 0.00 H new ATOM 925 N ASN A 58 -6.998 6.730 -7.932 1.00 0.00 N ATOM 926 CA ASN A 58 -7.000 5.700 -9.005 1.00 0.00 C ATOM 927 C ASN A 58 -8.441 5.331 -9.350 1.00 0.00 C ATOM 928 O ASN A 58 -9.215 4.941 -8.499 1.00 0.00 O ATOM 929 CB ASN A 58 -6.242 4.462 -8.524 1.00 0.00 C ATOM 930 CG ASN A 58 -4.738 4.686 -8.705 1.00 0.00 C ATOM 931 OD1 ASN A 58 -4.100 4.000 -9.477 1.00 0.00 O ATOM 932 ND2 ASN A 58 -4.142 5.628 -8.021 1.00 0.00 N ATOM 0 H ASN A 58 -6.370 6.542 -7.151 1.00 0.00 H new ATOM 0 HA ASN A 58 -6.509 6.094 -9.895 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -6.469 4.267 -7.476 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -6.561 3.585 -9.087 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.141 5.786 -8.136 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -4.678 6.204 -7.372 1.00 0.00 H new ATOM 939 N ARG A 59 -8.808 5.460 -10.595 1.00 0.00 N ATOM 940 CA ARG A 59 -10.202 5.127 -11.002 1.00 0.00 C ATOM 941 C ARG A 59 -10.338 3.613 -11.187 1.00 0.00 C ATOM 942 O ARG A 59 -11.430 3.082 -11.238 1.00 0.00 O ATOM 943 CB ARG A 59 -10.522 5.839 -12.321 1.00 0.00 C ATOM 944 CG ARG A 59 -11.754 5.203 -12.967 1.00 0.00 C ATOM 945 CD ARG A 59 -12.313 6.140 -14.039 1.00 0.00 C ATOM 946 NE ARG A 59 -12.544 5.371 -15.295 1.00 0.00 N ATOM 947 CZ ARG A 59 -11.800 5.597 -16.344 1.00 0.00 C ATOM 948 NH1 ARG A 59 -10.499 5.605 -16.234 1.00 0.00 N ATOM 949 NH2 ARG A 59 -12.357 5.815 -17.504 1.00 0.00 N ATOM 0 H ARG A 59 -8.202 5.782 -11.349 1.00 0.00 H new ATOM 0 HA ARG A 59 -10.898 5.455 -10.230 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -10.702 6.899 -12.139 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -9.670 5.772 -12.997 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -11.490 4.243 -13.411 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -12.513 5.006 -12.210 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -13.246 6.587 -13.696 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -11.616 6.958 -14.223 1.00 0.00 H new ATOM 0 HE ARG A 59 -13.283 4.669 -15.335 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -10.063 5.435 -15.328 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -9.919 5.782 -17.054 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -13.373 5.809 -17.591 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -11.776 5.992 -18.324 1.00 0.00 H new ATOM 963 N TYR A 60 -9.244 2.914 -11.290 1.00 0.00 N ATOM 964 CA TYR A 60 -9.329 1.437 -11.474 1.00 0.00 C ATOM 965 C TYR A 60 -9.190 0.733 -10.125 1.00 0.00 C ATOM 966 O TYR A 60 -9.656 -0.375 -9.948 1.00 0.00 O ATOM 967 CB TYR A 60 -8.222 0.944 -12.416 1.00 0.00 C ATOM 968 CG TYR A 60 -7.024 1.860 -12.349 1.00 0.00 C ATOM 969 CD1 TYR A 60 -6.944 2.962 -13.208 1.00 0.00 C ATOM 970 CD2 TYR A 60 -5.992 1.608 -11.435 1.00 0.00 C ATOM 971 CE1 TYR A 60 -5.834 3.811 -13.157 1.00 0.00 C ATOM 972 CE2 TYR A 60 -4.881 2.460 -11.386 1.00 0.00 C ATOM 973 CZ TYR A 60 -4.803 3.561 -12.246 1.00 0.00 C ATOM 974 OH TYR A 60 -3.708 4.398 -12.196 1.00 0.00 O ATOM 0 H TYR A 60 -8.299 3.297 -11.255 1.00 0.00 H new ATOM 0 HA TYR A 60 -10.299 1.204 -11.912 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -7.928 -0.069 -12.142 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -8.598 0.902 -13.438 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -7.740 3.157 -13.911 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -6.053 0.759 -10.770 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -5.773 4.660 -13.822 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -4.084 2.267 -10.684 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.942 3.913 -11.823 1.00 0.00 H new ATOM 984 N PHE A 61 -8.554 1.352 -9.170 1.00 0.00 N ATOM 985 CA PHE A 61 -8.400 0.686 -7.848 1.00 0.00 C ATOM 986 C PHE A 61 -9.681 0.841 -7.038 1.00 0.00 C ATOM 987 O PHE A 61 -10.427 1.786 -7.203 1.00 0.00 O ATOM 988 CB PHE A 61 -7.221 1.288 -7.088 1.00 0.00 C ATOM 989 CG PHE A 61 -5.943 0.999 -7.839 1.00 0.00 C ATOM 990 CD1 PHE A 61 -5.815 -0.167 -8.616 1.00 0.00 C ATOM 991 CD2 PHE A 61 -4.885 1.908 -7.774 1.00 0.00 C ATOM 992 CE1 PHE A 61 -4.632 -0.411 -9.313 1.00 0.00 C ATOM 993 CE2 PHE A 61 -3.705 1.662 -8.473 1.00 0.00 C ATOM 994 CZ PHE A 61 -3.579 0.503 -9.244 1.00 0.00 C ATOM 0 H PHE A 61 -8.138 2.280 -9.246 1.00 0.00 H new ATOM 0 HA PHE A 61 -8.207 -0.375 -8.007 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -7.356 2.364 -6.978 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -7.169 0.868 -6.083 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -6.631 -0.872 -8.673 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -4.982 2.805 -7.180 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.530 -1.308 -9.907 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -2.888 2.366 -8.419 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.665 0.314 -9.788 1.00 0.00 H new ATOM 1004 N ILE A 62 -9.946 -0.095 -6.172 1.00 0.00 N ATOM 1005 CA ILE A 62 -11.186 -0.023 -5.352 1.00 0.00 C ATOM 1006 C ILE A 62 -10.924 -0.639 -3.974 1.00 0.00 C ATOM 1007 O ILE A 62 -9.811 -1.002 -3.649 1.00 0.00 O ATOM 1008 CB ILE A 62 -12.310 -0.792 -6.067 1.00 0.00 C ATOM 1009 CG1 ILE A 62 -12.154 -2.298 -5.829 1.00 0.00 C ATOM 1010 CG2 ILE A 62 -12.239 -0.521 -7.572 1.00 0.00 C ATOM 1011 CD1 ILE A 62 -13.362 -3.033 -6.414 1.00 0.00 C ATOM 0 H ILE A 62 -9.356 -0.909 -5.996 1.00 0.00 H new ATOM 0 HA ILE A 62 -11.485 1.017 -5.225 1.00 0.00 H new ATOM 0 HB ILE A 62 -13.269 -0.458 -5.671 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -11.236 -2.658 -6.293 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -12.072 -2.502 -4.761 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -13.036 -1.066 -8.078 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -12.357 0.547 -7.755 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -11.273 -0.850 -7.956 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -13.253 -4.104 -6.246 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -14.272 -2.680 -5.929 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -13.423 -2.838 -7.485 1.00 0.00 H new ATOM 1023 N LYS A 63 -11.940 -0.764 -3.164 1.00 0.00 N ATOM 1024 CA LYS A 63 -11.745 -1.360 -1.813 1.00 0.00 C ATOM 1025 C LYS A 63 -12.493 -2.691 -1.733 1.00 0.00 C ATOM 1026 O LYS A 63 -13.658 -2.782 -2.066 1.00 0.00 O ATOM 1027 CB LYS A 63 -12.288 -0.404 -0.749 1.00 0.00 C ATOM 1028 CG LYS A 63 -11.195 0.588 -0.350 1.00 0.00 C ATOM 1029 CD LYS A 63 -11.356 0.955 1.127 1.00 0.00 C ATOM 1030 CE LYS A 63 -10.309 0.209 1.956 1.00 0.00 C ATOM 1031 NZ LYS A 63 -9.061 1.018 2.025 1.00 0.00 N ATOM 0 H LYS A 63 -12.895 -0.479 -3.380 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.682 -1.528 -1.639 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -13.156 0.131 -1.134 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -12.621 -0.965 0.124 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -10.211 0.151 -0.522 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -11.258 1.484 -0.968 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -11.241 2.031 1.260 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -12.358 0.697 1.470 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -10.690 0.023 2.960 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -10.101 -0.763 1.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.349 0.511 2.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.695 1.174 1.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.266 1.935 2.471 1.00 0.00 H new ATOM 1045 N VAL A 64 -11.831 -3.726 -1.294 1.00 0.00 N ATOM 1046 CA VAL A 64 -12.502 -5.051 -1.192 1.00 0.00 C ATOM 1047 C VAL A 64 -12.596 -5.464 0.279 1.00 0.00 C ATOM 1048 O VAL A 64 -11.709 -6.110 0.800 1.00 0.00 O ATOM 1049 CB VAL A 64 -11.692 -6.092 -1.967 1.00 0.00 C ATOM 1050 CG1 VAL A 64 -10.301 -6.224 -1.345 1.00 0.00 C ATOM 1051 CG2 VAL A 64 -12.408 -7.443 -1.904 1.00 0.00 C ATOM 0 H VAL A 64 -10.854 -3.711 -1.002 1.00 0.00 H new ATOM 0 HA VAL A 64 -13.505 -4.985 -1.613 1.00 0.00 H new ATOM 0 HB VAL A 64 -11.596 -5.778 -3.006 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -9.724 -6.966 -1.897 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -9.790 -5.262 -1.388 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -10.396 -6.539 -0.306 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -11.832 -8.186 -2.456 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -12.503 -7.756 -0.864 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -13.400 -7.350 -2.347 1.00 0.00 H new ATOM 1061 N PRO A 65 -13.678 -5.076 0.906 1.00 0.00 N ATOM 1062 CA PRO A 65 -13.929 -5.388 2.324 1.00 0.00 C ATOM 1063 C PRO A 65 -14.399 -6.838 2.475 1.00 0.00 C ATOM 1064 O PRO A 65 -14.602 -7.538 1.504 1.00 0.00 O ATOM 1065 CB PRO A 65 -15.039 -4.409 2.716 1.00 0.00 C ATOM 1066 CG PRO A 65 -15.744 -3.998 1.401 1.00 0.00 C ATOM 1067 CD PRO A 65 -14.751 -4.291 0.260 1.00 0.00 C ATOM 0 HA PRO A 65 -13.042 -5.290 2.950 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -15.743 -4.876 3.405 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -14.626 -3.537 3.224 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -16.668 -4.560 1.265 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -16.013 -2.942 1.419 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -15.225 -4.852 -0.546 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -14.363 -3.371 -0.177 1.00 0.00 H new ATOM 1075 N ARG A 66 -14.569 -7.294 3.686 1.00 0.00 N ATOM 1076 CA ARG A 66 -15.022 -8.698 3.895 1.00 0.00 C ATOM 1077 C ARG A 66 -16.548 -8.765 3.781 1.00 0.00 C ATOM 1078 O ARG A 66 -17.090 -9.585 3.067 1.00 0.00 O ATOM 1079 CB ARG A 66 -14.593 -9.171 5.286 1.00 0.00 C ATOM 1080 CG ARG A 66 -14.191 -10.645 5.222 1.00 0.00 C ATOM 1081 CD ARG A 66 -15.445 -11.513 5.119 1.00 0.00 C ATOM 1082 NE ARG A 66 -15.056 -12.951 5.127 1.00 0.00 N ATOM 1083 CZ ARG A 66 -15.971 -13.877 5.041 1.00 0.00 C ATOM 1084 NH1 ARG A 66 -17.170 -13.654 5.505 1.00 0.00 N ATOM 1085 NH2 ARG A 66 -15.689 -15.024 4.487 1.00 0.00 N ATOM 0 H ARG A 66 -14.414 -6.756 4.538 1.00 0.00 H new ATOM 0 HA ARG A 66 -14.573 -9.341 3.138 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -13.757 -8.570 5.644 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -15.409 -9.036 5.995 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -13.544 -10.819 4.362 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -13.621 -10.916 6.110 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -16.116 -11.302 5.952 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -15.989 -11.278 4.204 1.00 0.00 H new ATOM 0 HE ARG A 66 -14.073 -13.212 5.200 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -17.392 -12.756 5.935 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -17.886 -14.378 5.438 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -14.753 -15.197 4.121 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -16.405 -15.748 4.420 1.00 0.00 H new ATOM 1099 N SER A 67 -17.243 -7.910 4.479 1.00 0.00 N ATOM 1100 CA SER A 67 -18.731 -7.927 4.410 1.00 0.00 C ATOM 1101 C SER A 67 -19.257 -6.491 4.365 1.00 0.00 C ATOM 1102 O SER A 67 -18.511 -5.551 4.173 1.00 0.00 O ATOM 1103 CB SER A 67 -19.291 -8.635 5.644 1.00 0.00 C ATOM 1104 OG SER A 67 -20.479 -9.330 5.288 1.00 0.00 O ATOM 0 H SER A 67 -16.845 -7.200 5.094 1.00 0.00 H new ATOM 0 HA SER A 67 -19.046 -8.458 3.512 1.00 0.00 H new ATOM 0 HB2 SER A 67 -18.554 -9.332 6.043 1.00 0.00 H new ATOM 0 HB3 SER A 67 -19.502 -7.909 6.429 1.00 0.00 H new ATOM 0 HG SER A 67 -20.840 -9.787 6.077 1.00 0.00 H new ATOM 1110 N GLN A 68 -20.538 -6.313 4.540 1.00 0.00 N ATOM 1111 CA GLN A 68 -21.112 -4.939 4.508 1.00 0.00 C ATOM 1112 C GLN A 68 -21.563 -4.545 5.914 1.00 0.00 C ATOM 1113 O GLN A 68 -22.377 -3.660 6.090 1.00 0.00 O ATOM 1114 CB GLN A 68 -22.316 -4.912 3.564 1.00 0.00 C ATOM 1115 CG GLN A 68 -21.875 -5.330 2.161 1.00 0.00 C ATOM 1116 CD GLN A 68 -22.649 -4.518 1.121 1.00 0.00 C ATOM 1117 OE1 GLN A 68 -23.695 -4.932 0.666 1.00 0.00 O ATOM 1118 NE2 GLN A 68 -22.173 -3.370 0.724 1.00 0.00 N ATOM 0 H GLN A 68 -21.212 -7.061 4.704 1.00 0.00 H new ATOM 0 HA GLN A 68 -20.356 -4.237 4.156 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -23.092 -5.585 3.928 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -22.748 -3.912 3.538 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -20.804 -5.168 2.041 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -22.054 -6.395 2.014 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -21.294 -3.023 1.107 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -22.680 -2.820 0.031 1.00 0.00 H new ATOM 1127 N GLU A 69 -21.043 -5.195 6.918 1.00 0.00 N ATOM 1128 CA GLU A 69 -21.447 -4.855 8.311 1.00 0.00 C ATOM 1129 C GLU A 69 -20.201 -4.712 9.186 1.00 0.00 C ATOM 1130 O GLU A 69 -19.833 -3.624 9.586 1.00 0.00 O ATOM 1131 CB GLU A 69 -22.338 -5.967 8.869 1.00 0.00 C ATOM 1132 CG GLU A 69 -23.806 -5.551 8.749 1.00 0.00 C ATOM 1133 CD GLU A 69 -24.047 -4.286 9.575 1.00 0.00 C ATOM 1134 OE1 GLU A 69 -24.017 -4.382 10.791 1.00 0.00 O ATOM 1135 OE2 GLU A 69 -24.257 -3.244 8.978 1.00 0.00 O ATOM 0 H GLU A 69 -20.357 -5.945 6.835 1.00 0.00 H new ATOM 0 HA GLU A 69 -21.997 -3.914 8.309 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -22.166 -6.895 8.323 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -22.087 -6.160 9.912 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -24.059 -5.370 7.704 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -24.453 -6.355 9.099 1.00 0.00 H new ATOM 1142 N GLU A 70 -19.549 -5.800 9.492 1.00 0.00 N ATOM 1143 CA GLU A 70 -18.329 -5.720 10.344 1.00 0.00 C ATOM 1144 C GLU A 70 -17.085 -5.974 9.487 1.00 0.00 C ATOM 1145 O GLU A 70 -17.167 -6.600 8.449 1.00 0.00 O ATOM 1146 CB GLU A 70 -18.412 -6.773 11.450 1.00 0.00 C ATOM 1147 CG GLU A 70 -19.207 -6.209 12.631 1.00 0.00 C ATOM 1148 CD GLU A 70 -18.270 -5.420 13.547 1.00 0.00 C ATOM 1149 OE1 GLU A 70 -17.248 -5.965 13.929 1.00 0.00 O ATOM 1150 OE2 GLU A 70 -18.591 -4.282 13.851 1.00 0.00 O ATOM 0 H GLU A 70 -19.808 -6.739 9.190 1.00 0.00 H new ATOM 0 HA GLU A 70 -18.262 -4.728 10.790 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -18.892 -7.676 11.072 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -17.410 -7.056 11.774 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -20.007 -5.564 12.269 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -19.678 -7.020 13.186 1.00 0.00 H new ATOM 1157 N PRO A 71 -15.969 -5.474 9.952 1.00 0.00 N ATOM 1158 CA PRO A 71 -14.679 -5.621 9.254 1.00 0.00 C ATOM 1159 C PRO A 71 -14.105 -7.025 9.472 1.00 0.00 C ATOM 1160 O PRO A 71 -13.566 -7.330 10.517 1.00 0.00 O ATOM 1161 CB PRO A 71 -13.791 -4.563 9.915 1.00 0.00 C ATOM 1162 CG PRO A 71 -14.418 -4.269 11.299 1.00 0.00 C ATOM 1163 CD PRO A 71 -15.889 -4.716 11.218 1.00 0.00 C ATOM 0 HA PRO A 71 -14.761 -5.492 8.175 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.768 -4.925 10.021 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -13.747 -3.658 9.308 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -13.891 -4.809 12.086 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -14.348 -3.208 11.539 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -16.164 -5.336 12.071 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -16.565 -3.861 11.214 1.00 0.00 H new ATOM 1171 N GLY A 72 -14.214 -7.880 8.492 1.00 0.00 N ATOM 1172 CA GLY A 72 -13.670 -9.258 8.644 1.00 0.00 C ATOM 1173 C GLY A 72 -12.151 -9.221 8.469 1.00 0.00 C ATOM 1174 O GLY A 72 -11.429 -10.000 9.059 1.00 0.00 O ATOM 0 H GLY A 72 -14.656 -7.684 7.594 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -13.925 -9.656 9.626 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -14.117 -9.922 7.904 1.00 0.00 H new ATOM 1178 N LYS A 73 -11.662 -8.320 7.663 1.00 0.00 N ATOM 1179 CA LYS A 73 -10.190 -8.227 7.449 1.00 0.00 C ATOM 1180 C LYS A 73 -9.732 -6.790 7.706 1.00 0.00 C ATOM 1181 O LYS A 73 -10.522 -5.867 7.705 1.00 0.00 O ATOM 1182 CB LYS A 73 -9.858 -8.613 6.006 1.00 0.00 C ATOM 1183 CG LYS A 73 -9.991 -10.127 5.831 1.00 0.00 C ATOM 1184 CD LYS A 73 -9.634 -10.506 4.391 1.00 0.00 C ATOM 1185 CE LYS A 73 -10.846 -10.278 3.487 1.00 0.00 C ATOM 1186 NZ LYS A 73 -10.495 -9.295 2.423 1.00 0.00 N ATOM 0 H LYS A 73 -12.219 -7.643 7.142 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.679 -8.904 8.134 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.529 -8.098 5.319 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.844 -8.297 5.759 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -9.332 -10.644 6.529 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.009 -10.443 6.060 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.791 -9.908 4.045 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.324 -11.550 4.345 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.160 -11.220 3.037 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.687 -9.909 4.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -11.319 -9.140 1.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.215 -8.394 2.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -9.705 -9.664 1.856 1.00 0.00 H new ATOM 1200 N GLY A 74 -8.460 -6.590 7.923 1.00 0.00 N ATOM 1201 CA GLY A 74 -7.957 -5.211 8.175 1.00 0.00 C ATOM 1202 C GLY A 74 -8.271 -4.332 6.963 1.00 0.00 C ATOM 1203 O GLY A 74 -9.409 -3.987 6.712 1.00 0.00 O ATOM 0 H GLY A 74 -7.749 -7.321 7.936 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -8.424 -4.798 9.069 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.882 -5.230 8.357 1.00 0.00 H new ATOM 1207 N SER A 75 -7.272 -3.970 6.205 1.00 0.00 N ATOM 1208 CA SER A 75 -7.516 -3.118 5.008 1.00 0.00 C ATOM 1209 C SER A 75 -6.924 -3.800 3.773 1.00 0.00 C ATOM 1210 O SER A 75 -5.725 -3.970 3.662 1.00 0.00 O ATOM 1211 CB SER A 75 -6.854 -1.754 5.205 1.00 0.00 C ATOM 1212 OG SER A 75 -7.857 -0.776 5.446 1.00 0.00 O ATOM 0 H SER A 75 -6.298 -4.228 6.363 1.00 0.00 H new ATOM 0 HA SER A 75 -8.589 -2.981 4.871 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.158 -1.792 6.043 1.00 0.00 H new ATOM 0 HB3 SER A 75 -6.274 -1.487 4.321 1.00 0.00 H new ATOM 0 HG SER A 75 -7.436 0.100 5.575 1.00 0.00 H new ATOM 1218 N PHE A 76 -7.752 -4.192 2.844 1.00 0.00 N ATOM 1219 CA PHE A 76 -7.233 -4.864 1.618 1.00 0.00 C ATOM 1220 C PHE A 76 -7.607 -4.040 0.385 1.00 0.00 C ATOM 1221 O PHE A 76 -8.766 -3.780 0.128 1.00 0.00 O ATOM 1222 CB PHE A 76 -7.849 -6.260 1.502 1.00 0.00 C ATOM 1223 CG PHE A 76 -6.750 -7.293 1.436 1.00 0.00 C ATOM 1224 CD1 PHE A 76 -5.681 -7.240 2.338 1.00 0.00 C ATOM 1225 CD2 PHE A 76 -6.801 -8.305 0.470 1.00 0.00 C ATOM 1226 CE1 PHE A 76 -4.663 -8.199 2.276 1.00 0.00 C ATOM 1227 CE2 PHE A 76 -5.782 -9.265 0.407 1.00 0.00 C ATOM 1228 CZ PHE A 76 -4.714 -9.212 1.310 1.00 0.00 C ATOM 0 H PHE A 76 -8.765 -4.076 2.880 1.00 0.00 H new ATOM 0 HA PHE A 76 -6.148 -4.948 1.683 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -8.495 -6.456 2.358 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -8.473 -6.320 0.610 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -5.641 -6.459 3.082 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -7.625 -8.346 -0.226 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.839 -8.158 2.973 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -5.821 -10.046 -0.338 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.929 -9.952 1.262 1.00 0.00 H new ATOM 1238 N TRP A 77 -6.635 -3.627 -0.384 1.00 0.00 N ATOM 1239 CA TRP A 77 -6.940 -2.822 -1.601 1.00 0.00 C ATOM 1240 C TRP A 77 -7.256 -3.761 -2.766 1.00 0.00 C ATOM 1241 O TRP A 77 -7.059 -4.957 -2.680 1.00 0.00 O ATOM 1242 CB TRP A 77 -5.732 -1.957 -1.962 1.00 0.00 C ATOM 1243 CG TRP A 77 -5.908 -0.591 -1.386 1.00 0.00 C ATOM 1244 CD1 TRP A 77 -5.311 -0.140 -0.259 1.00 0.00 C ATOM 1245 CD2 TRP A 77 -6.723 0.508 -1.885 1.00 0.00 C ATOM 1246 NE1 TRP A 77 -5.707 1.166 -0.035 1.00 0.00 N ATOM 1247 CE2 TRP A 77 -6.576 1.610 -1.011 1.00 0.00 C ATOM 1248 CE3 TRP A 77 -7.566 0.653 -3.001 1.00 0.00 C ATOM 1249 CZ2 TRP A 77 -7.241 2.814 -1.238 1.00 0.00 C ATOM 1250 CZ3 TRP A 77 -8.238 1.865 -3.232 1.00 0.00 C ATOM 1251 CH2 TRP A 77 -8.074 2.942 -2.351 1.00 0.00 C ATOM 0 H TRP A 77 -5.645 -3.812 -0.222 1.00 0.00 H new ATOM 0 HA TRP A 77 -7.799 -2.181 -1.403 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -4.819 -2.411 -1.577 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -5.626 -1.896 -3.045 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -4.635 -0.707 0.364 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -5.395 1.732 0.754 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -7.698 -0.172 -3.685 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -7.113 3.642 -0.557 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -8.883 1.967 -4.092 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -8.592 3.872 -2.533 1.00 0.00 H new ATOM 1262 N ARG A 78 -7.747 -3.233 -3.853 1.00 0.00 N ATOM 1263 CA ARG A 78 -8.074 -4.102 -5.018 1.00 0.00 C ATOM 1264 C ARG A 78 -8.153 -3.257 -6.290 1.00 0.00 C ATOM 1265 O ARG A 78 -8.529 -2.102 -6.259 1.00 0.00 O ATOM 1266 CB ARG A 78 -9.423 -4.783 -4.780 1.00 0.00 C ATOM 1267 CG ARG A 78 -9.505 -6.062 -5.613 1.00 0.00 C ATOM 1268 CD ARG A 78 -10.968 -6.465 -5.794 1.00 0.00 C ATOM 1269 NE ARG A 78 -11.041 -7.718 -6.598 1.00 0.00 N ATOM 1270 CZ ARG A 78 -10.208 -8.696 -6.360 1.00 0.00 C ATOM 1271 NH1 ARG A 78 -10.192 -9.269 -5.187 1.00 0.00 N ATOM 1272 NH2 ARG A 78 -9.394 -9.101 -7.295 1.00 0.00 N ATOM 0 H ARG A 78 -7.936 -2.239 -3.985 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.295 -4.856 -5.133 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.542 -5.018 -3.722 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.235 -4.108 -5.050 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.038 -5.905 -6.585 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -8.955 -6.864 -5.121 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.438 -6.616 -4.822 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -11.517 -5.667 -6.293 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.741 -7.812 -7.334 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -10.830 -8.953 -4.456 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -9.542 -10.033 -5.001 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -9.408 -8.654 -8.212 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -8.744 -9.864 -7.109 1.00 0.00 H new ATOM 1286 N ILE A 79 -7.815 -3.830 -7.413 1.00 0.00 N ATOM 1287 CA ILE A 79 -7.885 -3.068 -8.692 1.00 0.00 C ATOM 1288 C ILE A 79 -9.042 -3.610 -9.527 1.00 0.00 C ATOM 1289 O ILE A 79 -9.367 -4.779 -9.470 1.00 0.00 O ATOM 1290 CB ILE A 79 -6.564 -3.208 -9.457 1.00 0.00 C ATOM 1291 CG1 ILE A 79 -6.762 -2.826 -10.930 1.00 0.00 C ATOM 1292 CG2 ILE A 79 -6.077 -4.646 -9.373 1.00 0.00 C ATOM 1293 CD1 ILE A 79 -5.533 -3.244 -11.740 1.00 0.00 C ATOM 0 H ILE A 79 -7.493 -4.794 -7.500 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.051 -2.011 -8.485 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.826 -2.542 -9.011 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.653 -3.313 -11.326 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -6.920 -1.751 -11.019 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.138 -4.744 -9.917 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -5.921 -4.917 -8.329 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -6.822 -5.309 -9.813 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.676 -2.972 -12.786 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.651 -2.736 -11.350 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -5.395 -4.322 -11.662 1.00 0.00 H new ATOM 1305 N ASP A 80 -9.665 -2.771 -10.304 1.00 0.00 N ATOM 1306 CA ASP A 80 -10.796 -3.249 -11.137 1.00 0.00 C ATOM 1307 C ASP A 80 -10.283 -4.359 -12.057 1.00 0.00 C ATOM 1308 O ASP A 80 -9.200 -4.259 -12.598 1.00 0.00 O ATOM 1309 CB ASP A 80 -11.345 -2.092 -11.975 1.00 0.00 C ATOM 1310 CG ASP A 80 -12.422 -1.350 -11.181 1.00 0.00 C ATOM 1311 OD1 ASP A 80 -12.646 -1.715 -10.039 1.00 0.00 O ATOM 1312 OD2 ASP A 80 -13.003 -0.427 -11.729 1.00 0.00 O ATOM 0 H ASP A 80 -9.440 -1.780 -10.397 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.595 -3.631 -10.502 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -10.539 -1.408 -12.241 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -11.763 -2.471 -12.908 1.00 0.00 H new ATOM 1317 N PRO A 81 -11.066 -5.396 -12.191 1.00 0.00 N ATOM 1318 CA PRO A 81 -10.702 -6.554 -13.021 1.00 0.00 C ATOM 1319 C PRO A 81 -10.916 -6.250 -14.506 1.00 0.00 C ATOM 1320 O PRO A 81 -10.226 -6.771 -15.360 1.00 0.00 O ATOM 1321 CB PRO A 81 -11.654 -7.651 -12.540 1.00 0.00 C ATOM 1322 CG PRO A 81 -12.859 -6.931 -11.887 1.00 0.00 C ATOM 1323 CD PRO A 81 -12.383 -5.510 -11.533 1.00 0.00 C ATOM 0 HA PRO A 81 -9.653 -6.834 -12.926 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -11.979 -8.275 -13.372 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -11.160 -8.307 -11.824 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -13.707 -6.896 -12.571 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -13.191 -7.462 -10.995 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -13.078 -4.754 -11.899 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -12.303 -5.374 -10.455 1.00 0.00 H new ATOM 1331 N ALA A 82 -11.868 -5.418 -14.826 1.00 0.00 N ATOM 1332 CA ALA A 82 -12.118 -5.100 -16.259 1.00 0.00 C ATOM 1333 C ALA A 82 -11.302 -3.881 -16.685 1.00 0.00 C ATOM 1334 O ALA A 82 -11.200 -3.582 -17.858 1.00 0.00 O ATOM 1335 CB ALA A 82 -13.608 -4.826 -16.474 1.00 0.00 C ATOM 0 H ALA A 82 -12.481 -4.947 -14.161 1.00 0.00 H new ATOM 0 HA ALA A 82 -11.814 -5.953 -16.866 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -13.787 -4.594 -17.524 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -14.184 -5.708 -16.194 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -13.915 -3.981 -15.858 1.00 0.00 H new ATOM 1341 N SER A 83 -10.682 -3.193 -15.767 1.00 0.00 N ATOM 1342 CA SER A 83 -9.850 -2.042 -16.171 1.00 0.00 C ATOM 1343 C SER A 83 -8.407 -2.520 -16.154 1.00 0.00 C ATOM 1344 O SER A 83 -7.496 -1.790 -16.470 1.00 0.00 O ATOM 1345 CB SER A 83 -10.032 -0.885 -15.187 1.00 0.00 C ATOM 1346 OG SER A 83 -11.390 -0.466 -15.200 1.00 0.00 O ATOM 0 H SER A 83 -10.719 -3.381 -14.765 1.00 0.00 H new ATOM 0 HA SER A 83 -10.134 -1.682 -17.160 1.00 0.00 H new ATOM 0 HB2 SER A 83 -9.746 -1.198 -14.183 1.00 0.00 H new ATOM 0 HB3 SER A 83 -9.381 -0.055 -15.460 1.00 0.00 H new ATOM 0 HG SER A 83 -11.510 0.274 -14.569 1.00 0.00 H new ATOM 1352 N GLU A 84 -8.198 -3.755 -15.771 1.00 0.00 N ATOM 1353 CA GLU A 84 -6.820 -4.300 -15.716 1.00 0.00 C ATOM 1354 C GLU A 84 -6.189 -4.215 -17.097 1.00 0.00 C ATOM 1355 O GLU A 84 -5.385 -3.348 -17.359 1.00 0.00 O ATOM 1356 CB GLU A 84 -6.852 -5.767 -15.272 1.00 0.00 C ATOM 1357 CG GLU A 84 -6.624 -5.845 -13.762 1.00 0.00 C ATOM 1358 CD GLU A 84 -5.185 -6.291 -13.493 1.00 0.00 C ATOM 1359 OE1 GLU A 84 -4.609 -6.923 -14.362 1.00 0.00 O ATOM 1360 OE2 GLU A 84 -4.682 -5.992 -12.423 1.00 0.00 O ATOM 0 H GLU A 84 -8.931 -4.408 -15.494 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.237 -3.719 -15.002 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.811 -6.216 -15.530 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.083 -6.334 -15.797 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.808 -4.873 -13.304 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.325 -6.548 -13.312 1.00 0.00 H new ATOM 1367 N ALA A 85 -6.553 -5.116 -17.972 1.00 0.00 N ATOM 1368 CA ALA A 85 -5.972 -5.129 -19.351 1.00 0.00 C ATOM 1369 C ALA A 85 -5.655 -3.710 -19.837 1.00 0.00 C ATOM 1370 O ALA A 85 -4.671 -3.488 -20.514 1.00 0.00 O ATOM 1371 CB ALA A 85 -6.968 -5.782 -20.311 1.00 0.00 C ATOM 0 H ALA A 85 -7.235 -5.852 -17.789 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.041 -5.696 -19.325 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.549 -5.794 -21.317 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.167 -6.804 -19.989 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.898 -5.214 -20.312 1.00 0.00 H new ATOM 1377 N LYS A 86 -6.475 -2.751 -19.512 1.00 0.00 N ATOM 1378 CA LYS A 86 -6.204 -1.359 -19.977 1.00 0.00 C ATOM 1379 C LYS A 86 -5.401 -0.593 -18.923 1.00 0.00 C ATOM 1380 O LYS A 86 -4.494 0.149 -19.240 1.00 0.00 O ATOM 1381 CB LYS A 86 -7.531 -0.639 -20.222 1.00 0.00 C ATOM 1382 CG LYS A 86 -7.266 0.845 -20.482 1.00 0.00 C ATOM 1383 CD LYS A 86 -8.595 1.571 -20.691 1.00 0.00 C ATOM 1384 CE LYS A 86 -8.603 2.865 -19.878 1.00 0.00 C ATOM 1385 NZ LYS A 86 -9.482 3.866 -20.546 1.00 0.00 N ATOM 0 H LYS A 86 -7.317 -2.867 -18.948 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.627 -1.401 -20.901 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.045 -1.082 -21.075 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -8.186 -0.757 -19.358 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -6.729 1.282 -19.640 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.632 0.964 -21.361 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.738 1.793 -21.749 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.423 0.932 -20.385 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.960 2.669 -18.867 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -7.590 3.257 -19.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.488 4.747 -19.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -9.123 4.060 -21.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.450 3.491 -20.609 1.00 0.00 H new ATOM 1399 N LEU A 87 -5.739 -0.751 -17.673 1.00 0.00 N ATOM 1400 CA LEU A 87 -5.006 -0.015 -16.605 1.00 0.00 C ATOM 1401 C LEU A 87 -3.656 -0.659 -16.354 1.00 0.00 C ATOM 1402 O LEU A 87 -2.739 -0.039 -15.853 1.00 0.00 O ATOM 1403 CB LEU A 87 -5.843 -0.007 -15.321 1.00 0.00 C ATOM 1404 CG LEU A 87 -5.776 -1.361 -14.615 1.00 0.00 C ATOM 1405 CD1 LEU A 87 -4.683 -1.334 -13.567 1.00 0.00 C ATOM 1406 CD2 LEU A 87 -7.097 -1.647 -13.897 1.00 0.00 C ATOM 0 H LEU A 87 -6.491 -1.358 -17.345 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.839 1.013 -16.927 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.482 0.774 -14.652 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.879 0.232 -15.560 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.578 -2.128 -15.363 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.637 -2.300 -13.065 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.726 -1.127 -14.045 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.899 -0.555 -12.836 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.038 -2.614 -13.398 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.286 -0.868 -13.158 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.910 -1.663 -14.623 1.00 0.00 H new ATOM 1418 N VAL A 88 -3.522 -1.889 -16.713 1.00 0.00 N ATOM 1419 CA VAL A 88 -2.228 -2.578 -16.516 1.00 0.00 C ATOM 1420 C VAL A 88 -1.243 -2.120 -17.588 1.00 0.00 C ATOM 1421 O VAL A 88 -0.042 -2.143 -17.398 1.00 0.00 O ATOM 1422 CB VAL A 88 -2.449 -4.059 -16.678 1.00 0.00 C ATOM 1423 CG1 VAL A 88 -3.281 -4.596 -15.513 1.00 0.00 C ATOM 1424 CG2 VAL A 88 -3.176 -4.295 -17.995 1.00 0.00 C ATOM 0 H VAL A 88 -4.256 -2.455 -17.138 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.833 -2.350 -15.526 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.492 -4.581 -16.683 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.435 -5.668 -15.640 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.755 -4.413 -14.576 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -4.246 -4.091 -15.492 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.345 -5.363 -18.131 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.134 -3.775 -17.980 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.570 -3.916 -18.818 1.00 0.00 H new ATOM 1434 N GLU A 89 -1.746 -1.715 -18.718 1.00 0.00 N ATOM 1435 CA GLU A 89 -0.848 -1.266 -19.815 1.00 0.00 C ATOM 1436 C GLU A 89 0.082 -0.192 -19.265 1.00 0.00 C ATOM 1437 O GLU A 89 1.254 -0.147 -19.582 1.00 0.00 O ATOM 1438 CB GLU A 89 -1.687 -0.683 -20.955 1.00 0.00 C ATOM 1439 CG GLU A 89 -0.762 -0.102 -22.026 1.00 0.00 C ATOM 1440 CD GLU A 89 -0.425 -1.186 -23.051 1.00 0.00 C ATOM 1441 OE1 GLU A 89 -0.547 -2.351 -22.714 1.00 0.00 O ATOM 1442 OE2 GLU A 89 -0.052 -0.831 -24.157 1.00 0.00 O ATOM 0 H GLU A 89 -2.743 -1.675 -18.930 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.267 -2.107 -20.195 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -2.320 -1.458 -21.388 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.350 0.093 -20.572 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -1.244 0.742 -22.519 1.00 0.00 H new ATOM 0 HG3 GLU A 89 0.151 0.276 -21.567 1.00 0.00 H new ATOM 1449 N GLN A 90 -0.422 0.656 -18.416 1.00 0.00 N ATOM 1450 CA GLN A 90 0.446 1.700 -17.820 1.00 0.00 C ATOM 1451 C GLN A 90 1.383 1.018 -16.825 1.00 0.00 C ATOM 1452 O GLN A 90 2.505 1.436 -16.621 1.00 0.00 O ATOM 1453 CB GLN A 90 -0.420 2.736 -17.100 1.00 0.00 C ATOM 1454 CG GLN A 90 -1.525 3.218 -18.043 1.00 0.00 C ATOM 1455 CD GLN A 90 -2.654 3.851 -17.229 1.00 0.00 C ATOM 1456 OE1 GLN A 90 -3.628 3.198 -16.907 1.00 0.00 O ATOM 1457 NE2 GLN A 90 -2.566 5.105 -16.880 1.00 0.00 N ATOM 0 H GLN A 90 -1.395 0.670 -18.111 1.00 0.00 H new ATOM 0 HA GLN A 90 1.023 2.208 -18.593 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -0.858 2.300 -16.202 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.193 3.578 -16.779 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -1.123 3.943 -18.751 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -1.909 2.382 -18.627 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -1.749 5.653 -17.150 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -3.314 5.537 -16.337 1.00 0.00 H new ATOM 1466 N ALA A 91 0.927 -0.045 -16.212 1.00 0.00 N ATOM 1467 CA ALA A 91 1.786 -0.772 -15.234 1.00 0.00 C ATOM 1468 C ALA A 91 3.037 -1.303 -15.937 1.00 0.00 C ATOM 1469 O ALA A 91 4.147 -1.101 -15.483 1.00 0.00 O ATOM 1470 CB ALA A 91 1.010 -1.940 -14.631 1.00 0.00 C ATOM 0 H ALA A 91 -0.004 -0.440 -16.348 1.00 0.00 H new ATOM 0 HA ALA A 91 2.080 -0.084 -14.441 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.643 -2.467 -13.917 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.124 -1.563 -14.121 1.00 0.00 H new ATOM 0 HB3 ALA A 91 0.709 -2.625 -15.424 1.00 0.00 H new ATOM 1476 N PHE A 92 2.871 -1.983 -17.037 1.00 0.00 N ATOM 1477 CA PHE A 92 4.055 -2.527 -17.761 1.00 0.00 C ATOM 1478 C PHE A 92 4.779 -1.392 -18.486 1.00 0.00 C ATOM 1479 O PHE A 92 4.870 -1.374 -19.698 1.00 0.00 O ATOM 1480 CB PHE A 92 3.596 -3.572 -18.780 1.00 0.00 C ATOM 1481 CG PHE A 92 2.602 -4.505 -18.131 1.00 0.00 C ATOM 1482 CD1 PHE A 92 2.958 -5.213 -16.977 1.00 0.00 C ATOM 1483 CD2 PHE A 92 1.325 -4.664 -18.684 1.00 0.00 C ATOM 1484 CE1 PHE A 92 2.037 -6.079 -16.375 1.00 0.00 C ATOM 1485 CE2 PHE A 92 0.405 -5.530 -18.081 1.00 0.00 C ATOM 1486 CZ PHE A 92 0.760 -6.238 -16.927 1.00 0.00 C ATOM 0 H PHE A 92 1.968 -2.186 -17.466 1.00 0.00 H new ATOM 0 HA PHE A 92 4.734 -2.991 -17.045 1.00 0.00 H new ATOM 0 HB2 PHE A 92 3.142 -3.081 -19.641 1.00 0.00 H new ATOM 0 HB3 PHE A 92 4.452 -4.136 -19.150 1.00 0.00 H new ATOM 0 HD1 PHE A 92 3.943 -5.091 -16.551 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.050 -4.119 -19.575 1.00 0.00 H new ATOM 0 HE1 PHE A 92 2.312 -6.625 -15.484 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -0.580 -5.652 -18.507 1.00 0.00 H new ATOM 0 HZ PHE A 92 0.050 -6.906 -16.463 1.00 0.00 H new ATOM 1496 N ARG A 93 5.297 -0.443 -17.754 1.00 0.00 N ATOM 1497 CA ARG A 93 6.016 0.688 -18.403 1.00 0.00 C ATOM 1498 C ARG A 93 6.900 1.392 -17.371 1.00 0.00 C ATOM 1499 O ARG A 93 6.603 1.409 -16.192 1.00 0.00 O ATOM 1500 CB ARG A 93 4.999 1.681 -18.971 1.00 0.00 C ATOM 1501 CG ARG A 93 5.610 2.412 -20.167 1.00 0.00 C ATOM 1502 CD ARG A 93 5.883 1.413 -21.294 1.00 0.00 C ATOM 1503 NE ARG A 93 6.269 2.148 -22.530 1.00 0.00 N ATOM 1504 CZ ARG A 93 7.234 1.696 -23.283 1.00 0.00 C ATOM 1505 NH1 ARG A 93 7.329 0.416 -23.526 1.00 0.00 N ATOM 1506 NH2 ARG A 93 8.106 2.522 -23.793 1.00 0.00 N ATOM 0 H ARG A 93 5.253 -0.403 -16.736 1.00 0.00 H new ATOM 0 HA ARG A 93 6.639 0.306 -19.212 1.00 0.00 H new ATOM 0 HB2 ARG A 93 4.094 1.156 -19.276 1.00 0.00 H new ATOM 0 HB3 ARG A 93 4.708 2.398 -18.203 1.00 0.00 H new ATOM 0 HG2 ARG A 93 4.932 3.192 -20.515 1.00 0.00 H new ATOM 0 HG3 ARG A 93 6.537 2.904 -19.871 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.680 0.729 -21.002 1.00 0.00 H new ATOM 0 HD3 ARG A 93 4.996 0.808 -21.481 1.00 0.00 H new ATOM 0 HE ARG A 93 5.779 3.005 -22.788 1.00 0.00 H new ATOM 0 HH11 ARG A 93 6.649 -0.231 -23.127 1.00 0.00 H new ATOM 0 HH12 ARG A 93 8.084 0.063 -24.115 1.00 0.00 H new ATOM 0 HH21 ARG A 93 8.033 3.522 -23.603 1.00 0.00 H new ATOM 0 HH22 ARG A 93 8.860 2.168 -24.382 1.00 0.00 H new ATOM 1520 N LYS A 94 7.986 1.969 -17.805 1.00 0.00 N ATOM 1521 CA LYS A 94 8.895 2.669 -16.852 1.00 0.00 C ATOM 1522 C LYS A 94 8.389 4.092 -16.611 1.00 0.00 C ATOM 1523 O LYS A 94 7.254 4.417 -16.894 1.00 0.00 O ATOM 1524 CB LYS A 94 10.305 2.727 -17.442 1.00 0.00 C ATOM 1525 CG LYS A 94 11.246 1.858 -16.606 1.00 0.00 C ATOM 1526 CD LYS A 94 12.320 1.251 -17.511 1.00 0.00 C ATOM 1527 CE LYS A 94 13.639 2.001 -17.311 1.00 0.00 C ATOM 1528 NZ LYS A 94 13.561 3.329 -17.983 1.00 0.00 N ATOM 0 H LYS A 94 8.285 1.986 -18.780 1.00 0.00 H new ATOM 0 HA LYS A 94 8.915 2.125 -15.907 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.293 2.378 -18.475 1.00 0.00 H new ATOM 0 HB3 LYS A 94 10.662 3.757 -17.457 1.00 0.00 H new ATOM 0 HG2 LYS A 94 11.711 2.457 -15.823 1.00 0.00 H new ATOM 0 HG3 LYS A 94 10.683 1.067 -16.111 1.00 0.00 H new ATOM 0 HD2 LYS A 94 12.451 0.194 -17.279 1.00 0.00 H new ATOM 0 HD3 LYS A 94 12.009 1.312 -18.554 1.00 0.00 H new ATOM 0 HE2 LYS A 94 13.838 2.131 -16.247 1.00 0.00 H new ATOM 0 HE3 LYS A 94 14.466 1.421 -17.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 14.479 3.811 -17.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 13.322 3.197 -18.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 12.827 3.907 -17.526 1.00 0.00 H new ATOM 1542 N ARG A 95 9.228 4.946 -16.089 1.00 0.00 N ATOM 1543 CA ARG A 95 8.803 6.349 -15.829 1.00 0.00 C ATOM 1544 C ARG A 95 9.948 7.300 -16.184 1.00 0.00 C ATOM 1545 O ARG A 95 11.059 6.878 -16.436 1.00 0.00 O ATOM 1546 CB ARG A 95 8.447 6.508 -14.350 1.00 0.00 C ATOM 1547 CG ARG A 95 7.362 7.575 -14.198 1.00 0.00 C ATOM 1548 CD ARG A 95 7.932 8.778 -13.443 1.00 0.00 C ATOM 1549 NE ARG A 95 8.653 8.304 -12.229 1.00 0.00 N ATOM 1550 CZ ARG A 95 8.071 8.357 -11.063 1.00 0.00 C ATOM 1551 NH1 ARG A 95 7.234 7.419 -10.709 1.00 0.00 N ATOM 1552 NH2 ARG A 95 8.325 9.345 -10.251 1.00 0.00 N ATOM 0 H ARG A 95 10.191 4.731 -15.831 1.00 0.00 H new ATOM 0 HA ARG A 95 7.931 6.585 -16.439 1.00 0.00 H new ATOM 0 HB2 ARG A 95 8.097 5.558 -13.945 1.00 0.00 H new ATOM 0 HB3 ARG A 95 9.332 6.791 -13.780 1.00 0.00 H new ATOM 0 HG2 ARG A 95 7.002 7.885 -15.179 1.00 0.00 H new ATOM 0 HG3 ARG A 95 6.507 7.166 -13.659 1.00 0.00 H new ATOM 0 HD2 ARG A 95 8.610 9.337 -14.087 1.00 0.00 H new ATOM 0 HD3 ARG A 95 7.128 9.458 -13.160 1.00 0.00 H new ATOM 0 HE ARG A 95 9.602 7.938 -12.309 1.00 0.00 H new ATOM 0 HH11 ARG A 95 7.036 6.646 -11.344 1.00 0.00 H new ATOM 0 HH12 ARG A 95 6.778 7.460 -9.797 1.00 0.00 H new ATOM 0 HH21 ARG A 95 8.979 10.077 -10.528 1.00 0.00 H new ATOM 0 HH22 ARG A 95 7.869 9.386 -9.339 1.00 0.00 H new ATOM 1566 N ARG A 96 9.688 8.577 -16.208 1.00 0.00 N ATOM 1567 CA ARG A 96 10.766 9.549 -16.548 1.00 0.00 C ATOM 1568 C ARG A 96 10.503 10.873 -15.831 1.00 0.00 C ATOM 1569 O ARG A 96 11.375 11.426 -15.188 1.00 0.00 O ATOM 1570 CB ARG A 96 10.784 9.781 -18.061 1.00 0.00 C ATOM 1571 CG ARG A 96 10.542 8.455 -18.784 1.00 0.00 C ATOM 1572 CD ARG A 96 10.669 8.662 -20.295 1.00 0.00 C ATOM 1573 NE ARG A 96 9.423 8.195 -20.968 1.00 0.00 N ATOM 1574 CZ ARG A 96 9.470 7.199 -21.809 1.00 0.00 C ATOM 1575 NH1 ARG A 96 10.285 6.202 -21.595 1.00 0.00 N ATOM 1576 NH2 ARG A 96 8.702 7.199 -22.864 1.00 0.00 N ATOM 0 H ARG A 96 8.777 8.990 -16.007 1.00 0.00 H new ATOM 0 HA ARG A 96 11.729 9.150 -16.230 1.00 0.00 H new ATOM 0 HB2 ARG A 96 10.016 10.504 -18.338 1.00 0.00 H new ATOM 0 HB3 ARG A 96 11.743 10.203 -18.364 1.00 0.00 H new ATOM 0 HG2 ARG A 96 11.262 7.709 -18.447 1.00 0.00 H new ATOM 0 HG3 ARG A 96 9.550 8.073 -18.541 1.00 0.00 H new ATOM 0 HD2 ARG A 96 10.841 9.716 -20.515 1.00 0.00 H new ATOM 0 HD3 ARG A 96 11.529 8.112 -20.677 1.00 0.00 H new ATOM 0 HE ARG A 96 8.534 8.654 -20.771 1.00 0.00 H new ATOM 0 HH11 ARG A 96 10.885 6.202 -20.770 1.00 0.00 H new ATOM 0 HH12 ARG A 96 10.322 5.423 -22.253 1.00 0.00 H new ATOM 0 HH21 ARG A 96 8.065 7.978 -23.031 1.00 0.00 H new ATOM 0 HH22 ARG A 96 8.739 6.420 -23.522 1.00 0.00 H new ATOM 1590 N GLN A 97 9.310 11.389 -15.934 1.00 0.00 N ATOM 1591 CA GLN A 97 8.994 12.677 -15.257 1.00 0.00 C ATOM 1592 C GLN A 97 7.479 12.813 -15.096 1.00 0.00 C ATOM 1593 O GLN A 97 6.953 13.901 -14.968 1.00 0.00 O ATOM 1594 CB GLN A 97 9.524 13.839 -16.100 1.00 0.00 C ATOM 1595 CG GLN A 97 8.850 13.821 -17.474 1.00 0.00 C ATOM 1596 CD GLN A 97 9.814 13.234 -18.506 1.00 0.00 C ATOM 1597 OE1 GLN A 97 10.859 12.722 -18.157 1.00 0.00 O ATOM 1598 NE2 GLN A 97 9.504 13.285 -19.773 1.00 0.00 N ATOM 0 H GLN A 97 8.540 10.974 -16.458 1.00 0.00 H new ATOM 0 HA GLN A 97 9.465 12.695 -14.274 1.00 0.00 H new ATOM 0 HB2 GLN A 97 9.326 14.786 -15.598 1.00 0.00 H new ATOM 0 HB3 GLN A 97 10.605 13.758 -16.212 1.00 0.00 H new ATOM 0 HG2 GLN A 97 7.936 13.228 -17.435 1.00 0.00 H new ATOM 0 HG3 GLN A 97 8.562 14.832 -17.763 1.00 0.00 H new ATOM 0 HE21 GLN A 97 8.627 13.715 -20.066 1.00 0.00 H new ATOM 0 HE22 GLN A 97 10.139 12.895 -20.470 1.00 0.00 H new ATOM 1607 N ARG A 98 6.773 11.716 -15.099 1.00 0.00 N ATOM 1608 CA ARG A 98 5.293 11.781 -14.943 1.00 0.00 C ATOM 1609 C ARG A 98 4.901 11.205 -13.581 1.00 0.00 C ATOM 1610 O ARG A 98 3.995 10.401 -13.473 1.00 0.00 O ATOM 1611 CB ARG A 98 4.625 10.967 -16.054 1.00 0.00 C ATOM 1612 CG ARG A 98 3.397 11.719 -16.570 1.00 0.00 C ATOM 1613 CD ARG A 98 3.635 12.158 -18.017 1.00 0.00 C ATOM 1614 NE ARG A 98 3.362 13.617 -18.145 1.00 0.00 N ATOM 1615 CZ ARG A 98 4.316 14.481 -17.929 1.00 0.00 C ATOM 1616 NH1 ARG A 98 4.578 14.871 -16.711 1.00 0.00 N ATOM 1617 NH2 ARG A 98 5.006 14.954 -18.930 1.00 0.00 N ATOM 0 H ARG A 98 7.158 10.777 -15.203 1.00 0.00 H new ATOM 0 HA ARG A 98 4.965 12.818 -15.008 1.00 0.00 H new ATOM 0 HB2 ARG A 98 5.329 10.797 -16.868 1.00 0.00 H new ATOM 0 HB3 ARG A 98 4.332 9.987 -15.676 1.00 0.00 H new ATOM 0 HG2 ARG A 98 2.516 11.080 -16.513 1.00 0.00 H new ATOM 0 HG3 ARG A 98 3.200 12.589 -15.943 1.00 0.00 H new ATOM 0 HD2 ARG A 98 4.663 11.943 -18.309 1.00 0.00 H new ATOM 0 HD3 ARG A 98 2.988 11.596 -18.690 1.00 0.00 H new ATOM 0 HE ARG A 98 2.429 13.941 -18.401 1.00 0.00 H new ATOM 0 HH11 ARG A 98 4.037 14.500 -15.929 1.00 0.00 H new ATOM 0 HH12 ARG A 98 5.323 15.546 -16.541 1.00 0.00 H new ATOM 0 HH21 ARG A 98 4.800 14.649 -19.881 1.00 0.00 H new ATOM 0 HH22 ARG A 98 5.752 15.629 -18.762 1.00 0.00 H new ATOM 1631 N GLY A 99 5.577 11.609 -12.540 1.00 0.00 N ATOM 1632 CA GLY A 99 5.242 11.084 -11.185 1.00 0.00 C ATOM 1633 C GLY A 99 4.056 11.863 -10.615 1.00 0.00 C ATOM 1634 O GLY A 99 3.835 13.010 -10.950 1.00 0.00 O ATOM 0 H GLY A 99 6.346 12.279 -12.569 1.00 0.00 H new ATOM 0 HA2 GLY A 99 4.999 10.023 -11.244 1.00 0.00 H new ATOM 0 HA3 GLY A 99 6.104 11.177 -10.524 1.00 0.00 H new ATOM 1638 N VAL A 100 3.289 11.248 -9.756 1.00 0.00 N ATOM 1639 CA VAL A 100 2.117 11.954 -9.166 1.00 0.00 C ATOM 1640 C VAL A 100 2.389 12.243 -7.688 1.00 0.00 C ATOM 1641 O VAL A 100 2.710 11.356 -6.921 1.00 0.00 O ATOM 1642 CB VAL A 100 0.874 11.072 -9.293 1.00 0.00 C ATOM 1643 CG1 VAL A 100 -0.380 11.949 -9.266 1.00 0.00 C ATOM 1644 CG2 VAL A 100 0.927 10.303 -10.615 1.00 0.00 C ATOM 0 H VAL A 100 3.423 10.288 -9.438 1.00 0.00 H new ATOM 0 HA VAL A 100 1.952 12.892 -9.696 1.00 0.00 H new ATOM 0 HB VAL A 100 0.843 10.367 -8.462 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -1.266 11.320 -9.357 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -0.420 12.498 -8.325 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -0.349 12.654 -10.097 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.041 9.674 -10.706 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.958 11.008 -11.445 1.00 0.00 H new ATOM 0 HG23 VAL A 100 1.820 9.678 -10.637 1.00 0.00 H new ATOM 1654 N SER A 101 2.265 13.476 -7.281 1.00 0.00 N ATOM 1655 CA SER A 101 2.517 13.816 -5.853 1.00 0.00 C ATOM 1656 C SER A 101 1.269 13.503 -5.026 1.00 0.00 C ATOM 1657 O SER A 101 1.291 13.766 -3.835 1.00 0.00 O ATOM 1658 CB SER A 101 2.847 15.306 -5.732 1.00 0.00 C ATOM 1659 OG SER A 101 3.086 15.630 -4.366 1.00 0.00 O ATOM 1660 OXT SER A 101 0.312 13.006 -5.597 1.00 0.00 O ATOM 0 H SER A 101 2.000 14.262 -7.875 1.00 0.00 H new ATOM 0 HA SER A 101 3.356 13.227 -5.483 1.00 0.00 H new ATOM 0 HB2 SER A 101 3.725 15.545 -6.332 1.00 0.00 H new ATOM 0 HB3 SER A 101 2.023 15.905 -6.120 1.00 0.00 H new ATOM 0 HG SER A 101 2.535 15.057 -3.793 1.00 0.00 H new TER 1666 SER A 101