USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 895 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 104 THR OG1 : rot 180:sc= -0.124 USER MOD Set 1.2: A 105 ASN : amide:sc= -4.67! K(o=-4.8!,f=-0.57) USER MOD Set 2.1: A 100 THR OG1 : rot 171:sc= 1.27 USER MOD Set 2.2: A 101 LYS NZ :NH3+ -144:sc= 2.63 (180deg=-0.109) USER MOD Set 3.1: A 71 ASN : amide:sc= -1.48 K(o=-0.45,f=-4.1) USER MOD Set 3.2: A 74 THR OG1 : rot -135:sc= 1.02 USER MOD Single : A 1 GLU N :NH3+ -162:sc= 0.914 (180deg=-0.0225) USER MOD Single : A 2 GLN : amide:sc= -0.974 K(o=-0.97,f=0) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 9 THR OG1 : rot 60:sc= 1.55 USER MOD Single : A 10 TYR OH : rot 103:sc= 2.01 USER MOD Single : A 11 HIS : no HD1:sc= -0.52 K(o=-0.52,f=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.255 X(o=-0.26,f=-0.26) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.816 K(o=-0.82,f=-2.4) USER MOD Single : A 28 SER OG : rot -95:sc= 1.03 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0431 USER MOD Single : A 37 SER OG : rot -94:sc= 1.04 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0.0403 USER MOD Single : A 44 SER OG : rot -87:sc= 0.91! USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -57:sc= -0.686! USER MOD Single : A 60 GLN : amide:sc= -1.03 K(o=-1,f=-3.4!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot -140:sc= 0.62 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.592 X(o=-0.59,f=-0.1) USER MOD Single : A 88 ASN : amide:sc= -0.34 K(o=-0.34,f=-3!) USER MOD Single : A 97 THR OG1 : rot 120:sc= 1.27 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.239 X(o=-0.24,f=-0.088) USER MOD Single : A 111 GLN : amide:sc= -1.87! C(o=-1.9!,f=-5.7!) USER MOD Single : A 113 HIS : no HE2:sc= -3.6! C(o=-3.6!,f=-10!) USER MOD Single : A 115 ASN : amide:sc= 0.332 K(o=0.33,f=-5!) USER MOD Single : A 117 ASN : amide:sc= -2.12 K(o=-2.1,f=-11!) USER MOD Single : A 118 TYR OH : rot 10:sc= 1.18 USER MOD Single : A 119 GLN : amide:sc= -2.72 X(o=-2.7,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 3.078 16.473 -1.768 1.00 0.00 N ATOM 2 CA GLU A 1 3.948 16.836 -2.929 1.00 0.00 C ATOM 3 C GLU A 1 4.695 15.570 -3.403 1.00 0.00 C ATOM 4 O GLU A 1 4.065 14.667 -3.921 1.00 0.00 O ATOM 5 CB GLU A 1 4.939 17.958 -2.466 1.00 0.00 C ATOM 6 CG GLU A 1 4.187 19.130 -1.737 1.00 0.00 C ATOM 7 CD GLU A 1 2.802 19.449 -2.305 1.00 0.00 C ATOM 8 OE1 GLU A 1 1.922 18.658 -1.981 1.00 0.00 O ATOM 9 OE2 GLU A 1 2.731 20.435 -3.009 1.00 0.00 O ATOM 0 H1 GLU A 1 2.356 17.209 -1.632 1.00 0.00 H new ATOM 0 H2 GLU A 1 2.612 15.562 -1.955 1.00 0.00 H new ATOM 0 H3 GLU A 1 3.660 16.395 -0.909 1.00 0.00 H new ATOM 0 HA GLU A 1 3.363 17.215 -3.767 1.00 0.00 H new ATOM 0 HB2 GLU A 1 5.685 17.531 -1.796 1.00 0.00 H new ATOM 0 HB3 GLU A 1 5.474 18.351 -3.330 1.00 0.00 H new ATOM 0 HG2 GLU A 1 4.083 18.877 -0.682 1.00 0.00 H new ATOM 0 HG3 GLU A 1 4.803 20.028 -1.790 1.00 0.00 H new ATOM 18 N GLN A 2 5.991 15.498 -3.231 1.00 0.00 N ATOM 19 CA GLN A 2 6.732 14.275 -3.682 1.00 0.00 C ATOM 20 C GLN A 2 7.714 13.776 -2.592 1.00 0.00 C ATOM 21 O GLN A 2 8.219 14.565 -1.808 1.00 0.00 O ATOM 22 CB GLN A 2 7.485 14.653 -4.989 1.00 0.00 C ATOM 23 CG GLN A 2 6.486 15.277 -6.043 1.00 0.00 C ATOM 24 CD GLN A 2 7.155 15.569 -7.387 1.00 0.00 C ATOM 25 OE1 GLN A 2 6.690 16.339 -8.202 1.00 0.00 O ATOM 26 NE2 GLN A 2 8.261 14.975 -7.683 1.00 0.00 N ATOM 0 H GLN A 2 6.565 16.224 -2.803 1.00 0.00 H new ATOM 0 HA GLN A 2 6.038 13.455 -3.864 1.00 0.00 H new ATOM 0 HB2 GLN A 2 8.279 15.366 -4.765 1.00 0.00 H new ATOM 0 HB3 GLN A 2 7.961 13.768 -5.410 1.00 0.00 H new ATOM 0 HG2 GLN A 2 5.652 14.592 -6.198 1.00 0.00 H new ATOM 0 HG3 GLN A 2 6.069 16.200 -5.641 1.00 0.00 H new ATOM 0 HE21 GLN A 2 8.681 14.321 -7.023 1.00 0.00 H new ATOM 0 HE22 GLN A 2 8.715 15.159 -8.578 1.00 0.00 H new ATOM 35 N ALA A 3 7.938 12.485 -2.590 1.00 0.00 N ATOM 36 CA ALA A 3 8.868 11.870 -1.605 1.00 0.00 C ATOM 37 C ALA A 3 9.971 11.099 -2.378 1.00 0.00 C ATOM 38 O ALA A 3 9.821 10.759 -3.539 1.00 0.00 O ATOM 39 CB ALA A 3 8.015 10.953 -0.704 1.00 0.00 C ATOM 0 H ALA A 3 7.508 11.826 -3.239 1.00 0.00 H new ATOM 0 HA ALA A 3 9.375 12.605 -0.980 1.00 0.00 H new ATOM 0 HB1 ALA A 3 8.654 10.476 0.039 1.00 0.00 H new ATOM 0 HB2 ALA A 3 7.252 11.546 -0.199 1.00 0.00 H new ATOM 0 HB3 ALA A 3 7.535 10.188 -1.314 1.00 0.00 H new ATOM 45 N ASN A 4 11.047 10.859 -1.699 1.00 0.00 N ATOM 46 CA ASN A 4 12.220 10.132 -2.259 1.00 0.00 C ATOM 47 C ASN A 4 12.785 9.202 -1.186 1.00 0.00 C ATOM 48 O ASN A 4 12.387 9.283 -0.040 1.00 0.00 O ATOM 49 CB ASN A 4 13.249 11.190 -2.697 1.00 0.00 C ATOM 50 CG ASN A 4 13.305 12.263 -1.621 1.00 0.00 C ATOM 51 OD1 ASN A 4 13.789 12.097 -0.529 1.00 0.00 O ATOM 52 ND2 ASN A 4 12.802 13.427 -1.857 1.00 0.00 N ATOM 0 H ASN A 4 11.171 11.150 -0.729 1.00 0.00 H new ATOM 0 HA ASN A 4 11.949 9.518 -3.118 1.00 0.00 H new ATOM 0 HB2 ASN A 4 14.230 10.735 -2.833 1.00 0.00 H new ATOM 0 HB3 ASN A 4 12.964 11.625 -3.655 1.00 0.00 H new ATOM 0 HD21 ASN A 4 12.827 14.149 -1.137 1.00 0.00 H new ATOM 0 HD22 ASN A 4 12.379 13.625 -2.764 1.00 0.00 H new ATOM 59 N ASP A 5 13.679 8.363 -1.620 1.00 0.00 N ATOM 60 CA ASP A 5 14.365 7.368 -0.757 1.00 0.00 C ATOM 61 C ASP A 5 13.524 6.867 0.450 1.00 0.00 C ATOM 62 O ASP A 5 13.793 7.098 1.613 1.00 0.00 O ATOM 63 CB ASP A 5 15.686 8.103 -0.409 1.00 0.00 C ATOM 64 CG ASP A 5 16.483 8.248 -1.704 1.00 0.00 C ATOM 65 OD1 ASP A 5 17.035 7.238 -2.090 1.00 0.00 O ATOM 66 OD2 ASP A 5 16.484 9.343 -2.231 1.00 0.00 O ATOM 0 H ASP A 5 13.977 8.327 -2.595 1.00 0.00 H new ATOM 0 HA ASP A 5 14.542 6.410 -1.247 1.00 0.00 H new ATOM 0 HB2 ASP A 5 15.478 9.081 0.025 1.00 0.00 H new ATOM 0 HB3 ASP A 5 16.255 7.540 0.331 1.00 0.00 H new ATOM 71 N VAL A 6 12.478 6.168 0.100 1.00 0.00 N ATOM 72 CA VAL A 6 11.536 5.591 1.122 1.00 0.00 C ATOM 73 C VAL A 6 11.609 4.040 1.118 1.00 0.00 C ATOM 74 O VAL A 6 12.086 3.447 0.164 1.00 0.00 O ATOM 75 CB VAL A 6 10.092 6.069 0.787 1.00 0.00 C ATOM 76 CG1 VAL A 6 9.145 5.818 1.992 1.00 0.00 C ATOM 77 CG2 VAL A 6 10.046 7.570 0.420 1.00 0.00 C ATOM 0 H VAL A 6 12.226 5.965 -0.867 1.00 0.00 H new ATOM 0 HA VAL A 6 11.818 5.934 2.118 1.00 0.00 H new ATOM 0 HB VAL A 6 9.762 5.493 -0.077 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.140 6.158 1.742 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.122 4.753 2.221 1.00 0.00 H new ATOM 0 HG13 VAL A 6 9.508 6.368 2.861 1.00 0.00 H new ATOM 0 HG21 VAL A 6 9.019 7.858 0.194 1.00 0.00 H new ATOM 0 HG22 VAL A 6 10.413 8.161 1.259 1.00 0.00 H new ATOM 0 HG23 VAL A 6 10.674 7.751 -0.453 1.00 0.00 H new ATOM 87 N ARG A 7 11.115 3.451 2.179 1.00 0.00 N ATOM 88 CA ARG A 7 11.112 1.962 2.343 1.00 0.00 C ATOM 89 C ARG A 7 9.848 1.270 1.747 1.00 0.00 C ATOM 90 O ARG A 7 8.737 1.564 2.147 1.00 0.00 O ATOM 91 CB ARG A 7 11.213 1.635 3.900 1.00 0.00 C ATOM 92 CG ARG A 7 9.772 1.609 4.520 1.00 0.00 C ATOM 93 CD ARG A 7 9.620 1.489 6.014 1.00 0.00 C ATOM 94 NE ARG A 7 8.150 1.150 6.153 1.00 0.00 N ATOM 95 CZ ARG A 7 7.265 1.994 6.525 1.00 0.00 C ATOM 96 NH1 ARG A 7 6.915 2.834 5.633 1.00 0.00 N ATOM 97 NH2 ARG A 7 6.806 1.930 7.712 1.00 0.00 N ATOM 0 H ARG A 7 10.701 3.956 2.962 1.00 0.00 H new ATOM 0 HA ARG A 7 11.964 1.568 1.789 1.00 0.00 H new ATOM 0 HB2 ARG A 7 11.703 0.673 4.050 1.00 0.00 H new ATOM 0 HB3 ARG A 7 11.824 2.386 4.402 1.00 0.00 H new ATOM 0 HG2 ARG A 7 9.264 2.523 4.210 1.00 0.00 H new ATOM 0 HG3 ARG A 7 9.234 0.776 4.067 1.00 0.00 H new ATOM 0 HD2 ARG A 7 10.260 0.710 6.428 1.00 0.00 H new ATOM 0 HD3 ARG A 7 9.875 2.417 6.526 1.00 0.00 H new ATOM 0 HE ARG A 7 7.851 0.199 5.939 1.00 0.00 H new ATOM 0 HH11 ARG A 7 7.337 2.798 4.705 1.00 0.00 H new ATOM 0 HH12 ARG A 7 6.213 3.543 5.847 1.00 0.00 H new ATOM 0 HH21 ARG A 7 7.145 1.212 8.352 1.00 0.00 H new ATOM 0 HH22 ARG A 7 6.100 2.597 8.022 1.00 0.00 H new ATOM 111 N ALA A 8 10.005 0.393 0.801 1.00 0.00 N ATOM 112 CA ALA A 8 8.794 -0.290 0.243 1.00 0.00 C ATOM 113 C ALA A 8 9.048 -1.793 0.474 1.00 0.00 C ATOM 114 O ALA A 8 10.184 -2.217 0.379 1.00 0.00 O ATOM 115 CB ALA A 8 8.663 0.101 -1.260 1.00 0.00 C ATOM 0 H ALA A 8 10.898 0.118 0.391 1.00 0.00 H new ATOM 0 HA ALA A 8 7.852 -0.006 0.712 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.786 -0.386 -1.688 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.556 1.182 -1.347 1.00 0.00 H new ATOM 0 HB3 ALA A 8 9.555 -0.220 -1.798 1.00 0.00 H new ATOM 121 N THR A 9 7.995 -2.513 0.771 1.00 0.00 N ATOM 122 CA THR A 9 8.031 -4.005 1.040 1.00 0.00 C ATOM 123 C THR A 9 6.905 -4.618 0.193 1.00 0.00 C ATOM 124 O THR A 9 6.522 -4.013 -0.787 1.00 0.00 O ATOM 125 CB THR A 9 7.821 -4.239 2.602 1.00 0.00 C ATOM 126 OG1 THR A 9 7.798 -5.640 2.887 1.00 0.00 O ATOM 127 CG2 THR A 9 6.445 -3.770 3.093 1.00 0.00 C ATOM 0 H THR A 9 7.059 -2.114 0.844 1.00 0.00 H new ATOM 0 HA THR A 9 8.978 -4.472 0.772 1.00 0.00 H new ATOM 0 HB THR A 9 8.632 -3.691 3.081 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.648 -6.043 2.614 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.359 -3.954 4.164 1.00 0.00 H new ATOM 0 HG22 THR A 9 6.333 -2.703 2.898 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.664 -4.319 2.566 1.00 0.00 H new ATOM 135 N TYR A 10 6.420 -5.769 0.556 1.00 0.00 N ATOM 136 CA TYR A 10 5.313 -6.395 -0.251 1.00 0.00 C ATOM 137 C TYR A 10 4.503 -7.473 0.522 1.00 0.00 C ATOM 138 O TYR A 10 5.064 -8.186 1.334 1.00 0.00 O ATOM 139 CB TYR A 10 6.000 -6.959 -1.522 1.00 0.00 C ATOM 140 CG TYR A 10 7.021 -8.033 -1.152 1.00 0.00 C ATOM 141 CD1 TYR A 10 6.579 -9.313 -0.941 1.00 0.00 C ATOM 142 CD2 TYR A 10 8.368 -7.750 -1.010 1.00 0.00 C ATOM 143 CE1 TYR A 10 7.459 -10.306 -0.591 1.00 0.00 C ATOM 144 CE2 TYR A 10 9.252 -8.749 -0.658 1.00 0.00 C ATOM 145 CZ TYR A 10 8.793 -10.033 -0.447 1.00 0.00 C ATOM 146 OH TYR A 10 9.622 -11.070 -0.084 1.00 0.00 O ATOM 0 H TYR A 10 6.730 -6.307 1.365 1.00 0.00 H new ATOM 0 HA TYR A 10 4.554 -5.653 -0.498 1.00 0.00 H new ATOM 0 HB2 TYR A 10 5.249 -7.379 -2.191 1.00 0.00 H new ATOM 0 HB3 TYR A 10 6.494 -6.152 -2.063 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.529 -9.542 -1.051 1.00 0.00 H new ATOM 0 HD2 TYR A 10 8.728 -6.745 -1.175 1.00 0.00 H new ATOM 0 HE1 TYR A 10 7.097 -11.310 -0.428 1.00 0.00 H new ATOM 0 HE2 TYR A 10 10.303 -8.526 -0.548 1.00 0.00 H new ATOM 0 HH TYR A 10 10.110 -11.390 -0.871 1.00 0.00 H new ATOM 156 N HIS A 11 3.226 -7.581 0.267 1.00 0.00 N ATOM 157 CA HIS A 11 2.338 -8.598 0.947 1.00 0.00 C ATOM 158 C HIS A 11 1.350 -9.065 -0.158 1.00 0.00 C ATOM 159 O HIS A 11 1.192 -8.347 -1.117 1.00 0.00 O ATOM 160 CB HIS A 11 1.599 -7.888 2.115 1.00 0.00 C ATOM 161 CG HIS A 11 1.013 -8.875 3.131 1.00 0.00 C ATOM 162 ND1 HIS A 11 1.282 -8.806 4.393 1.00 0.00 N ATOM 163 CD2 HIS A 11 0.160 -9.966 3.018 1.00 0.00 C ATOM 164 CE1 HIS A 11 0.666 -9.759 5.025 1.00 0.00 C ATOM 165 NE2 HIS A 11 -0.040 -10.500 4.207 1.00 0.00 N ATOM 0 H HIS A 11 2.737 -6.991 -0.406 1.00 0.00 H new ATOM 0 HA HIS A 11 2.875 -9.448 1.367 1.00 0.00 H new ATOM 0 HB2 HIS A 11 2.292 -7.218 2.624 1.00 0.00 H new ATOM 0 HB3 HIS A 11 0.797 -7.271 1.710 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -0.274 -10.323 2.096 1.00 0.00 H new ATOM 0 HE1 HIS A 11 0.728 -9.920 6.091 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -0.616 -11.309 4.438 1.00 0.00 H new ATOM 173 N TYR A 12 0.710 -10.203 -0.066 1.00 0.00 N ATOM 174 CA TYR A 12 -0.259 -10.649 -1.146 1.00 0.00 C ATOM 175 C TYR A 12 -1.435 -11.494 -0.570 1.00 0.00 C ATOM 176 O TYR A 12 -1.153 -12.255 0.336 1.00 0.00 O ATOM 177 CB TYR A 12 0.609 -11.430 -2.187 1.00 0.00 C ATOM 178 CG TYR A 12 1.437 -12.534 -1.487 1.00 0.00 C ATOM 179 CD1 TYR A 12 2.684 -12.231 -0.972 1.00 0.00 C ATOM 180 CD2 TYR A 12 0.958 -13.824 -1.346 1.00 0.00 C ATOM 181 CE1 TYR A 12 3.434 -13.199 -0.328 1.00 0.00 C ATOM 182 CE2 TYR A 12 1.713 -14.787 -0.701 1.00 0.00 C ATOM 183 CZ TYR A 12 2.950 -14.477 -0.192 1.00 0.00 C ATOM 184 OH TYR A 12 3.675 -15.456 0.449 1.00 0.00 O ATOM 0 H TYR A 12 0.810 -10.855 0.712 1.00 0.00 H new ATOM 0 HA TYR A 12 -0.756 -9.801 -1.617 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -0.036 -11.876 -2.944 1.00 0.00 H new ATOM 0 HB3 TYR A 12 1.276 -10.740 -2.703 1.00 0.00 H new ATOM 0 HD1 TYR A 12 3.076 -11.230 -1.073 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -0.013 -14.081 -1.743 1.00 0.00 H new ATOM 0 HE1 TYR A 12 4.406 -12.948 0.070 1.00 0.00 H new ATOM 0 HE2 TYR A 12 1.327 -15.790 -0.597 1.00 0.00 H new ATOM 0 HH TYR A 12 3.167 -16.294 0.446 1.00 0.00 H new ATOM 194 N TYR A 13 -2.665 -11.376 -1.033 1.00 0.00 N ATOM 195 CA TYR A 13 -3.747 -12.226 -0.434 1.00 0.00 C ATOM 196 C TYR A 13 -4.898 -12.597 -1.398 1.00 0.00 C ATOM 197 O TYR A 13 -6.048 -12.454 -1.051 1.00 0.00 O ATOM 198 CB TYR A 13 -4.317 -11.488 0.822 1.00 0.00 C ATOM 199 CG TYR A 13 -4.582 -10.009 0.535 1.00 0.00 C ATOM 200 CD1 TYR A 13 -3.555 -9.102 0.634 1.00 0.00 C ATOM 201 CD2 TYR A 13 -5.834 -9.566 0.172 1.00 0.00 C ATOM 202 CE1 TYR A 13 -3.775 -7.772 0.377 1.00 0.00 C ATOM 203 CE2 TYR A 13 -6.054 -8.225 -0.089 1.00 0.00 C ATOM 204 CZ TYR A 13 -5.022 -7.322 0.014 1.00 0.00 C ATOM 205 OH TYR A 13 -5.227 -5.984 -0.237 1.00 0.00 O ATOM 0 H TYR A 13 -2.958 -10.745 -1.779 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.285 -13.178 -0.172 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -5.242 -11.969 1.138 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.612 -11.578 1.649 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.568 -9.438 0.916 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -6.649 -10.269 0.090 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.958 -7.070 0.461 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -7.039 -7.887 -0.374 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.164 -5.837 -0.482 1.00 0.00 H new ATOM 215 N ARG A 14 -4.522 -13.066 -2.561 1.00 0.00 N ATOM 216 CA ARG A 14 -5.453 -13.508 -3.681 1.00 0.00 C ATOM 217 C ARG A 14 -5.625 -12.352 -4.706 1.00 0.00 C ATOM 218 O ARG A 14 -6.631 -11.677 -4.704 1.00 0.00 O ATOM 219 CB ARG A 14 -6.916 -13.927 -3.169 1.00 0.00 C ATOM 220 CG ARG A 14 -7.017 -15.289 -2.364 1.00 0.00 C ATOM 221 CD ARG A 14 -6.023 -15.378 -1.209 1.00 0.00 C ATOM 222 NE ARG A 14 -6.358 -16.594 -0.400 1.00 0.00 N ATOM 223 CZ ARG A 14 -6.213 -16.574 0.873 1.00 0.00 C ATOM 224 NH1 ARG A 14 -7.142 -16.087 1.589 1.00 0.00 N ATOM 225 NH2 ARG A 14 -5.130 -17.046 1.339 1.00 0.00 N ATOM 0 H ARG A 14 -3.538 -13.172 -2.807 1.00 0.00 H new ATOM 0 HA ARG A 14 -4.987 -14.385 -4.130 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -7.299 -13.127 -2.536 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -7.575 -13.992 -4.034 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -8.029 -15.399 -1.974 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -6.846 -16.121 -3.047 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -5.003 -15.442 -1.588 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -6.077 -14.482 -0.590 1.00 0.00 H new ATOM 0 HE ARG A 14 -6.701 -17.436 -0.862 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -7.986 -15.720 1.149 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -7.044 -16.063 2.604 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -4.422 -17.419 0.706 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -4.968 -17.052 2.346 1.00 0.00 H new ATOM 239 N PRO A 15 -4.641 -12.157 -5.559 1.00 0.00 N ATOM 240 CA PRO A 15 -4.676 -11.109 -6.619 1.00 0.00 C ATOM 241 C PRO A 15 -5.682 -11.554 -7.692 1.00 0.00 C ATOM 242 O PRO A 15 -6.673 -12.218 -7.424 1.00 0.00 O ATOM 243 CB PRO A 15 -3.190 -11.038 -7.106 1.00 0.00 C ATOM 244 CG PRO A 15 -2.384 -11.865 -6.029 1.00 0.00 C ATOM 245 CD PRO A 15 -3.367 -12.926 -5.580 1.00 0.00 C ATOM 0 HA PRO A 15 -5.009 -10.119 -6.307 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.077 -11.466 -8.102 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -2.838 -10.008 -7.161 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.484 -12.308 -6.456 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.066 -11.236 -5.197 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -3.407 -13.768 -6.271 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -3.115 -13.330 -4.600 1.00 0.00 H new ATOM 253 N ALA A 16 -5.411 -11.152 -8.911 1.00 0.00 N ATOM 254 CA ALA A 16 -6.272 -11.511 -10.091 1.00 0.00 C ATOM 255 C ALA A 16 -6.819 -12.979 -9.994 1.00 0.00 C ATOM 256 O ALA A 16 -7.778 -13.327 -10.645 1.00 0.00 O ATOM 257 CB ALA A 16 -5.394 -11.262 -11.335 1.00 0.00 C ATOM 0 H ALA A 16 -4.605 -10.573 -9.147 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.175 -10.902 -10.137 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.960 -11.504 -12.234 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.095 -10.214 -11.365 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.506 -11.892 -11.285 1.00 0.00 H new ATOM 263 N GLN A 17 -6.168 -13.790 -9.190 1.00 0.00 N ATOM 264 CA GLN A 17 -6.522 -15.229 -8.916 1.00 0.00 C ATOM 265 C GLN A 17 -8.051 -15.427 -8.770 1.00 0.00 C ATOM 266 O GLN A 17 -8.667 -16.265 -9.396 1.00 0.00 O ATOM 267 CB GLN A 17 -5.832 -15.667 -7.594 1.00 0.00 C ATOM 268 CG GLN A 17 -4.312 -15.796 -7.761 1.00 0.00 C ATOM 269 CD GLN A 17 -4.010 -16.808 -8.844 1.00 0.00 C ATOM 270 OE1 GLN A 17 -3.358 -16.496 -9.809 1.00 0.00 O ATOM 271 NE2 GLN A 17 -4.446 -18.024 -8.761 1.00 0.00 N ATOM 0 H GLN A 17 -5.342 -13.487 -8.674 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.181 -15.831 -9.758 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -6.051 -14.941 -6.811 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -6.244 -16.622 -7.268 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.880 -14.829 -8.020 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -3.857 -16.106 -6.821 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -5.000 -18.313 -7.955 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.236 -18.693 -9.502 1.00 0.00 H new ATOM 280 N ASN A 18 -8.583 -14.598 -7.903 1.00 0.00 N ATOM 281 CA ASN A 18 -10.052 -14.577 -7.571 1.00 0.00 C ATOM 282 C ASN A 18 -10.720 -13.541 -8.499 1.00 0.00 C ATOM 283 O ASN A 18 -11.929 -13.500 -8.603 1.00 0.00 O ATOM 284 CB ASN A 18 -10.228 -14.160 -6.081 1.00 0.00 C ATOM 285 CG ASN A 18 -11.688 -14.235 -5.607 1.00 0.00 C ATOM 286 OD1 ASN A 18 -12.218 -13.272 -5.111 1.00 0.00 O ATOM 287 ND2 ASN A 18 -12.391 -15.318 -5.717 1.00 0.00 N ATOM 0 H ASN A 18 -8.038 -13.905 -7.389 1.00 0.00 H new ATOM 0 HA ASN A 18 -10.507 -15.557 -7.714 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -9.614 -14.806 -5.453 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -9.860 -13.143 -5.948 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -13.357 -15.335 -5.389 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -11.979 -16.154 -6.131 1.00 0.00 H new ATOM 294 N ASN A 19 -9.845 -12.761 -9.106 1.00 0.00 N ATOM 295 CA ASN A 19 -10.085 -11.635 -10.088 1.00 0.00 C ATOM 296 C ASN A 19 -9.893 -10.196 -9.530 1.00 0.00 C ATOM 297 O ASN A 19 -10.592 -9.294 -9.950 1.00 0.00 O ATOM 298 CB ASN A 19 -11.509 -11.846 -10.664 1.00 0.00 C ATOM 299 CG ASN A 19 -11.683 -11.059 -11.949 1.00 0.00 C ATOM 300 OD1 ASN A 19 -12.225 -9.975 -12.010 1.00 0.00 O ATOM 301 ND2 ASN A 19 -11.228 -11.554 -13.052 1.00 0.00 N ATOM 0 H ASN A 19 -8.847 -12.882 -8.932 1.00 0.00 H new ATOM 0 HA ASN A 19 -9.315 -11.689 -10.858 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -11.678 -12.906 -10.854 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -12.254 -11.531 -9.933 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -11.332 -11.036 -13.925 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -10.765 -12.463 -13.050 1.00 0.00 H new ATOM 308 N TRP A 20 -8.945 -10.073 -8.621 1.00 0.00 N ATOM 309 CA TRP A 20 -8.529 -8.805 -7.903 1.00 0.00 C ATOM 310 C TRP A 20 -9.322 -8.780 -6.578 1.00 0.00 C ATOM 311 O TRP A 20 -10.478 -8.402 -6.589 1.00 0.00 O ATOM 312 CB TRP A 20 -8.850 -7.502 -8.756 1.00 0.00 C ATOM 313 CG TRP A 20 -7.975 -7.243 -10.005 1.00 0.00 C ATOM 314 CD1 TRP A 20 -8.559 -7.389 -11.190 1.00 0.00 C ATOM 315 CD2 TRP A 20 -6.664 -6.836 -10.193 1.00 0.00 C ATOM 316 NE1 TRP A 20 -7.615 -7.075 -12.058 1.00 0.00 N ATOM 317 CE2 TRP A 20 -6.437 -6.724 -11.553 1.00 0.00 C ATOM 318 CE3 TRP A 20 -5.586 -6.530 -9.370 1.00 0.00 C ATOM 319 CZ2 TRP A 20 -5.178 -6.319 -12.011 1.00 0.00 C ATOM 320 CZ3 TRP A 20 -4.343 -6.139 -9.841 1.00 0.00 C ATOM 321 CH2 TRP A 20 -4.136 -6.032 -11.173 1.00 0.00 C ATOM 0 H TRP A 20 -8.393 -10.877 -8.322 1.00 0.00 H new ATOM 0 HA TRP A 20 -7.452 -8.804 -7.737 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -9.890 -7.556 -9.077 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -8.764 -6.637 -8.098 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -9.574 -7.695 -11.396 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -7.781 -7.101 -13.064 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -5.726 -6.601 -8.301 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -5.022 -6.229 -13.076 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -3.544 -5.921 -9.148 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -3.176 -5.729 -11.564 1.00 0.00 H new ATOM 332 N ASP A 21 -8.710 -9.173 -5.482 1.00 0.00 N ATOM 333 CA ASP A 21 -9.387 -9.197 -4.142 1.00 0.00 C ATOM 334 C ASP A 21 -10.477 -8.144 -3.855 1.00 0.00 C ATOM 335 O ASP A 21 -11.266 -8.306 -2.960 1.00 0.00 O ATOM 336 CB ASP A 21 -8.252 -9.141 -3.120 1.00 0.00 C ATOM 337 CG ASP A 21 -8.732 -9.528 -1.729 1.00 0.00 C ATOM 338 OD1 ASP A 21 -9.355 -8.673 -1.118 1.00 0.00 O ATOM 339 OD2 ASP A 21 -8.436 -10.666 -1.381 1.00 0.00 O ATOM 0 H ASP A 21 -7.740 -9.487 -5.462 1.00 0.00 H new ATOM 0 HA ASP A 21 -9.988 -10.105 -4.095 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.450 -9.812 -3.429 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.834 -8.135 -3.094 1.00 0.00 H new ATOM 344 N LEU A 22 -10.553 -7.071 -4.590 1.00 0.00 N ATOM 345 CA LEU A 22 -11.606 -6.029 -4.348 1.00 0.00 C ATOM 346 C LEU A 22 -12.981 -6.710 -4.084 1.00 0.00 C ATOM 347 O LEU A 22 -13.818 -6.139 -3.418 1.00 0.00 O ATOM 348 CB LEU A 22 -11.733 -5.063 -5.586 1.00 0.00 C ATOM 349 CG LEU A 22 -10.374 -4.503 -6.100 1.00 0.00 C ATOM 350 CD1 LEU A 22 -10.566 -3.143 -6.771 1.00 0.00 C ATOM 351 CD2 LEU A 22 -9.339 -4.244 -4.973 1.00 0.00 C ATOM 0 H LEU A 22 -9.922 -6.863 -5.363 1.00 0.00 H new ATOM 0 HA LEU A 22 -11.311 -5.447 -3.475 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.225 -5.596 -6.400 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -12.379 -4.227 -5.316 1.00 0.00 H new ATOM 0 HG LEU A 22 -10.008 -5.272 -6.781 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.603 -2.771 -7.122 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -11.245 -3.247 -7.617 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.987 -2.439 -6.053 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.418 -3.855 -5.407 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -9.743 -3.517 -4.268 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -9.128 -5.177 -4.451 1.00 0.00 H new ATOM 363 N GLY A 23 -13.190 -7.895 -4.601 1.00 0.00 N ATOM 364 CA GLY A 23 -14.508 -8.607 -4.368 1.00 0.00 C ATOM 365 C GLY A 23 -14.545 -9.583 -3.156 1.00 0.00 C ATOM 366 O GLY A 23 -15.568 -10.186 -2.901 1.00 0.00 O ATOM 0 H GLY A 23 -12.517 -8.406 -5.172 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -15.286 -7.856 -4.230 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.762 -9.166 -5.269 1.00 0.00 H new ATOM 370 N ALA A 24 -13.461 -9.722 -2.439 1.00 0.00 N ATOM 371 CA ALA A 24 -13.355 -10.625 -1.249 1.00 0.00 C ATOM 372 C ALA A 24 -13.740 -9.926 0.111 1.00 0.00 C ATOM 373 O ALA A 24 -12.946 -9.183 0.666 1.00 0.00 O ATOM 374 CB ALA A 24 -11.902 -11.143 -1.188 1.00 0.00 C ATOM 0 H ALA A 24 -12.597 -9.218 -2.641 1.00 0.00 H new ATOM 0 HA ALA A 24 -14.071 -11.438 -1.372 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -11.788 -11.806 -0.330 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -11.672 -11.690 -2.103 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -11.219 -10.300 -1.088 1.00 0.00 H new ATOM 380 N PRO A 25 -14.931 -10.169 0.628 1.00 0.00 N ATOM 381 CA PRO A 25 -15.489 -9.413 1.805 1.00 0.00 C ATOM 382 C PRO A 25 -14.406 -9.012 2.832 1.00 0.00 C ATOM 383 O PRO A 25 -14.296 -7.887 3.279 1.00 0.00 O ATOM 384 CB PRO A 25 -16.572 -10.360 2.383 1.00 0.00 C ATOM 385 CG PRO A 25 -16.654 -11.599 1.419 1.00 0.00 C ATOM 386 CD PRO A 25 -15.849 -11.234 0.152 1.00 0.00 C ATOM 0 HA PRO A 25 -15.910 -8.450 1.516 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -16.312 -10.673 3.394 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -17.535 -9.854 2.444 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -16.241 -12.488 1.896 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -17.690 -11.825 1.167 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -15.302 -12.092 -0.239 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -16.498 -10.878 -0.649 1.00 0.00 H new ATOM 394 N ALA A 26 -13.664 -10.040 3.133 1.00 0.00 N ATOM 395 CA ALA A 26 -12.512 -10.060 4.080 1.00 0.00 C ATOM 396 C ALA A 26 -11.626 -8.813 4.118 1.00 0.00 C ATOM 397 O ALA A 26 -11.055 -8.491 5.142 1.00 0.00 O ATOM 398 CB ALA A 26 -11.673 -11.305 3.724 1.00 0.00 C ATOM 0 H ALA A 26 -13.832 -10.956 2.716 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.931 -10.086 5.086 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.813 -11.367 4.391 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -12.285 -12.200 3.836 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -11.328 -11.228 2.693 1.00 0.00 H new ATOM 404 N VAL A 27 -11.543 -8.164 3.000 1.00 0.00 N ATOM 405 CA VAL A 27 -10.696 -6.937 2.916 1.00 0.00 C ATOM 406 C VAL A 27 -11.460 -5.633 2.791 1.00 0.00 C ATOM 407 O VAL A 27 -11.379 -4.750 3.618 1.00 0.00 O ATOM 408 CB VAL A 27 -9.779 -7.081 1.708 1.00 0.00 C ATOM 409 CG1 VAL A 27 -8.645 -6.056 1.779 1.00 0.00 C ATOM 410 CG2 VAL A 27 -9.194 -8.520 1.694 1.00 0.00 C ATOM 0 H VAL A 27 -12.021 -8.423 2.137 1.00 0.00 H new ATOM 0 HA VAL A 27 -10.155 -6.872 3.860 1.00 0.00 H new ATOM 0 HB VAL A 27 -10.346 -6.903 0.795 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -7.997 -6.170 0.910 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -9.064 -5.050 1.790 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -8.065 -6.217 2.688 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -8.535 -8.637 0.833 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -8.628 -8.692 2.610 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.007 -9.243 1.629 1.00 0.00 H new ATOM 420 N SER A 28 -12.181 -5.615 1.712 1.00 0.00 N ATOM 421 CA SER A 28 -13.031 -4.465 1.305 1.00 0.00 C ATOM 422 C SER A 28 -12.553 -3.037 1.733 1.00 0.00 C ATOM 423 O SER A 28 -13.089 -2.373 2.599 1.00 0.00 O ATOM 424 CB SER A 28 -14.485 -4.737 1.826 1.00 0.00 C ATOM 425 OG SER A 28 -14.346 -5.109 3.187 1.00 0.00 O ATOM 0 H SER A 28 -12.217 -6.397 1.058 1.00 0.00 H new ATOM 0 HA SER A 28 -12.969 -4.422 0.218 1.00 0.00 H new ATOM 0 HB2 SER A 28 -15.109 -3.849 1.725 1.00 0.00 H new ATOM 0 HB3 SER A 28 -14.964 -5.530 1.251 1.00 0.00 H new ATOM 0 HG SER A 28 -14.326 -6.086 3.259 1.00 0.00 H new ATOM 431 N ALA A 29 -11.520 -2.626 1.041 1.00 0.00 N ATOM 432 CA ALA A 29 -10.853 -1.297 1.236 1.00 0.00 C ATOM 433 C ALA A 29 -11.700 -0.087 0.799 1.00 0.00 C ATOM 434 O ALA A 29 -12.707 -0.300 0.159 1.00 0.00 O ATOM 435 CB ALA A 29 -9.551 -1.395 0.466 1.00 0.00 C ATOM 0 H ALA A 29 -11.088 -3.189 0.308 1.00 0.00 H new ATOM 0 HA ALA A 29 -10.697 -1.107 2.298 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.002 -0.458 0.559 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -8.950 -2.210 0.870 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -9.764 -1.588 -0.586 1.00 0.00 H new ATOM 441 N TYR A 30 -11.285 1.115 1.138 1.00 0.00 N ATOM 442 CA TYR A 30 -12.078 2.329 0.744 1.00 0.00 C ATOM 443 C TYR A 30 -12.933 2.230 -0.548 1.00 0.00 C ATOM 444 O TYR A 30 -14.145 2.289 -0.502 1.00 0.00 O ATOM 445 CB TYR A 30 -11.044 3.518 0.678 1.00 0.00 C ATOM 446 CG TYR A 30 -11.403 4.647 1.687 1.00 0.00 C ATOM 447 CD1 TYR A 30 -12.709 4.898 2.078 1.00 0.00 C ATOM 448 CD2 TYR A 30 -10.402 5.439 2.216 1.00 0.00 C ATOM 449 CE1 TYR A 30 -12.989 5.908 2.974 1.00 0.00 C ATOM 450 CE2 TYR A 30 -10.673 6.468 3.121 1.00 0.00 C ATOM 451 CZ TYR A 30 -11.992 6.689 3.493 1.00 0.00 C ATOM 452 OH TYR A 30 -12.340 7.665 4.400 1.00 0.00 O ATOM 0 H TYR A 30 -10.435 1.307 1.668 1.00 0.00 H new ATOM 0 HA TYR A 30 -12.855 2.474 1.495 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -10.043 3.143 0.892 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -11.022 3.926 -0.333 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -13.513 4.298 1.678 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -9.379 5.257 1.921 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -14.012 6.086 3.271 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -9.876 7.077 3.521 1.00 0.00 H new ATOM 0 HH TYR A 30 -11.536 8.145 4.689 1.00 0.00 H new ATOM 462 N CYS A 31 -12.238 2.067 -1.637 1.00 0.00 N ATOM 463 CA CYS A 31 -12.872 1.954 -2.985 1.00 0.00 C ATOM 464 C CYS A 31 -13.529 0.565 -3.219 1.00 0.00 C ATOM 465 O CYS A 31 -14.678 0.475 -3.600 1.00 0.00 O ATOM 466 CB CYS A 31 -11.736 2.250 -4.023 1.00 0.00 C ATOM 467 SG CYS A 31 -11.960 3.518 -5.296 1.00 0.00 S ATOM 0 H CYS A 31 -11.220 2.005 -1.651 1.00 0.00 H new ATOM 0 HA CYS A 31 -13.692 2.664 -3.086 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -10.844 2.518 -3.456 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -11.518 1.314 -4.537 1.00 0.00 H new ATOM 472 N ALA A 32 -12.786 -0.497 -2.974 1.00 0.00 N ATOM 473 CA ALA A 32 -13.298 -1.909 -3.175 1.00 0.00 C ATOM 474 C ALA A 32 -14.828 -2.035 -2.982 1.00 0.00 C ATOM 475 O ALA A 32 -15.560 -2.365 -3.895 1.00 0.00 O ATOM 476 CB ALA A 32 -12.533 -2.818 -2.192 1.00 0.00 C ATOM 0 H ALA A 32 -11.825 -0.447 -2.636 1.00 0.00 H new ATOM 0 HA ALA A 32 -13.119 -2.210 -4.207 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -12.875 -3.847 -2.307 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -11.465 -2.765 -2.403 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -12.718 -2.486 -1.170 1.00 0.00 H new ATOM 482 N THR A 33 -15.225 -1.743 -1.774 1.00 0.00 N ATOM 483 CA THR A 33 -16.660 -1.780 -1.327 1.00 0.00 C ATOM 484 C THR A 33 -17.704 -1.303 -2.360 1.00 0.00 C ATOM 485 O THR A 33 -18.833 -1.757 -2.352 1.00 0.00 O ATOM 486 CB THR A 33 -16.747 -0.926 -0.066 1.00 0.00 C ATOM 487 OG1 THR A 33 -15.779 -1.534 0.774 1.00 0.00 O ATOM 488 CG2 THR A 33 -18.022 -1.164 0.737 1.00 0.00 C ATOM 0 H THR A 33 -14.580 -1.464 -1.035 1.00 0.00 H new ATOM 0 HA THR A 33 -16.919 -2.826 -1.164 1.00 0.00 H new ATOM 0 HB THR A 33 -16.658 0.127 -0.334 1.00 0.00 H new ATOM 0 HG1 THR A 33 -15.744 -1.059 1.630 1.00 0.00 H new ATOM 0 HG21 THR A 33 -18.020 -0.525 1.620 1.00 0.00 H new ATOM 0 HG22 THR A 33 -18.890 -0.928 0.121 1.00 0.00 H new ATOM 0 HG23 THR A 33 -18.069 -2.209 1.045 1.00 0.00 H new ATOM 496 N TRP A 34 -17.288 -0.398 -3.203 1.00 0.00 N ATOM 497 CA TRP A 34 -18.187 0.174 -4.261 1.00 0.00 C ATOM 498 C TRP A 34 -17.681 -0.013 -5.700 1.00 0.00 C ATOM 499 O TRP A 34 -18.442 -0.329 -6.602 1.00 0.00 O ATOM 500 CB TRP A 34 -18.362 1.669 -3.905 1.00 0.00 C ATOM 501 CG TRP A 34 -18.878 1.730 -2.459 1.00 0.00 C ATOM 502 CD1 TRP A 34 -19.884 0.965 -1.959 1.00 0.00 C ATOM 503 CD2 TRP A 34 -18.395 2.519 -1.479 1.00 0.00 C ATOM 504 NE1 TRP A 34 -19.938 1.348 -0.698 1.00 0.00 N ATOM 505 CE2 TRP A 34 -19.082 2.276 -0.318 1.00 0.00 C ATOM 506 CE3 TRP A 34 -17.390 3.456 -1.498 1.00 0.00 C ATOM 507 CZ2 TRP A 34 -18.771 2.959 0.832 1.00 0.00 C ATOM 508 CZ3 TRP A 34 -17.068 4.151 -0.345 1.00 0.00 C ATOM 509 CH2 TRP A 34 -17.760 3.901 0.823 1.00 0.00 C ATOM 0 H TRP A 34 -16.341 -0.019 -3.207 1.00 0.00 H new ATOM 0 HA TRP A 34 -19.134 -0.365 -4.259 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -17.415 2.201 -3.999 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -19.066 2.148 -4.586 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -20.488 0.228 -2.467 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -20.611 0.945 -0.047 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -16.851 3.650 -2.413 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -19.316 2.760 1.743 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -16.278 4.887 -0.359 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -17.512 4.439 1.726 1.00 0.00 H new ATOM 520 N ASP A 35 -16.406 0.156 -5.893 1.00 0.00 N ATOM 521 CA ASP A 35 -15.815 0.004 -7.254 1.00 0.00 C ATOM 522 C ASP A 35 -15.603 -1.479 -7.629 1.00 0.00 C ATOM 523 O ASP A 35 -15.545 -1.817 -8.796 1.00 0.00 O ATOM 524 CB ASP A 35 -14.485 0.782 -7.251 1.00 0.00 C ATOM 525 CG ASP A 35 -14.624 2.220 -6.728 1.00 0.00 C ATOM 526 OD1 ASP A 35 -14.955 2.366 -5.560 1.00 0.00 O ATOM 527 OD2 ASP A 35 -14.387 3.095 -7.546 1.00 0.00 O ATOM 0 H ASP A 35 -15.738 0.396 -5.160 1.00 0.00 H new ATOM 0 HA ASP A 35 -16.494 0.401 -8.009 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -13.761 0.248 -6.636 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -14.085 0.808 -8.265 1.00 0.00 H new ATOM 532 N ALA A 36 -15.496 -2.340 -6.645 1.00 0.00 N ATOM 533 CA ALA A 36 -15.291 -3.803 -6.939 1.00 0.00 C ATOM 534 C ALA A 36 -16.351 -4.317 -7.932 1.00 0.00 C ATOM 535 O ALA A 36 -16.210 -5.375 -8.507 1.00 0.00 O ATOM 536 CB ALA A 36 -15.378 -4.605 -5.632 1.00 0.00 C ATOM 0 H ALA A 36 -15.541 -2.099 -5.655 1.00 0.00 H new ATOM 0 HA ALA A 36 -14.306 -3.932 -7.388 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -15.230 -5.664 -5.844 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -14.607 -4.262 -4.942 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -16.359 -4.459 -5.180 1.00 0.00 H new ATOM 542 N SER A 37 -17.401 -3.560 -8.112 1.00 0.00 N ATOM 543 CA SER A 37 -18.486 -3.947 -9.059 1.00 0.00 C ATOM 544 C SER A 37 -17.863 -3.633 -10.439 1.00 0.00 C ATOM 545 O SER A 37 -17.702 -4.520 -11.254 1.00 0.00 O ATOM 546 CB SER A 37 -19.737 -3.072 -8.748 1.00 0.00 C ATOM 547 OG SER A 37 -19.294 -1.722 -8.895 1.00 0.00 O ATOM 0 H SER A 37 -17.554 -2.673 -7.633 1.00 0.00 H new ATOM 0 HA SER A 37 -18.818 -4.984 -9.001 1.00 0.00 H new ATOM 0 HB2 SER A 37 -20.554 -3.295 -9.434 1.00 0.00 H new ATOM 0 HB3 SER A 37 -20.107 -3.258 -7.740 1.00 0.00 H new ATOM 0 HG SER A 37 -19.016 -1.372 -8.023 1.00 0.00 H new ATOM 553 N LYS A 38 -17.529 -2.381 -10.641 1.00 0.00 N ATOM 554 CA LYS A 38 -16.898 -1.821 -11.896 1.00 0.00 C ATOM 555 C LYS A 38 -16.191 -2.835 -12.801 1.00 0.00 C ATOM 556 O LYS A 38 -15.396 -3.618 -12.312 1.00 0.00 O ATOM 557 CB LYS A 38 -15.846 -0.754 -11.531 1.00 0.00 C ATOM 558 CG LYS A 38 -16.504 0.485 -10.930 1.00 0.00 C ATOM 559 CD LYS A 38 -16.642 1.536 -12.061 1.00 0.00 C ATOM 560 CE LYS A 38 -17.390 2.744 -11.526 1.00 0.00 C ATOM 561 NZ LYS A 38 -18.857 2.456 -11.621 1.00 0.00 N ATOM 0 H LYS A 38 -17.680 -1.665 -9.930 1.00 0.00 H new ATOM 0 HA LYS A 38 -17.747 -1.423 -12.452 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -15.132 -1.171 -10.821 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -15.283 -0.475 -12.422 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -17.481 0.237 -10.516 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -15.902 0.880 -10.112 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -15.657 1.833 -12.421 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -17.176 1.108 -12.909 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -17.106 2.942 -10.492 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -17.138 3.635 -12.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -19.395 3.270 -11.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -19.114 2.285 -12.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -19.083 1.613 -11.055 1.00 0.00 H new ATOM 575 N PRO A 39 -16.450 -2.810 -14.089 1.00 0.00 N ATOM 576 CA PRO A 39 -15.805 -3.794 -15.002 1.00 0.00 C ATOM 577 C PRO A 39 -14.261 -3.849 -14.850 1.00 0.00 C ATOM 578 O PRO A 39 -13.609 -2.966 -14.312 1.00 0.00 O ATOM 579 CB PRO A 39 -16.315 -3.353 -16.409 1.00 0.00 C ATOM 580 CG PRO A 39 -16.643 -1.856 -16.209 1.00 0.00 C ATOM 581 CD PRO A 39 -17.334 -1.865 -14.842 1.00 0.00 C ATOM 0 HA PRO A 39 -16.072 -4.828 -14.785 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -15.556 -3.500 -17.177 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -17.193 -3.921 -16.716 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -15.745 -1.237 -16.209 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -17.295 -1.472 -16.994 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -17.364 -0.875 -14.387 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -18.363 -2.219 -14.901 1.00 0.00 H new ATOM 589 N LEU A 40 -13.717 -4.920 -15.353 1.00 0.00 N ATOM 590 CA LEU A 40 -12.255 -5.132 -15.286 1.00 0.00 C ATOM 591 C LEU A 40 -11.386 -3.980 -15.820 1.00 0.00 C ATOM 592 O LEU A 40 -10.442 -3.599 -15.155 1.00 0.00 O ATOM 593 CB LEU A 40 -12.039 -6.471 -16.020 1.00 0.00 C ATOM 594 CG LEU A 40 -12.202 -7.615 -14.985 1.00 0.00 C ATOM 595 CD1 LEU A 40 -12.334 -8.964 -15.712 1.00 0.00 C ATOM 596 CD2 LEU A 40 -10.907 -7.662 -14.144 1.00 0.00 C ATOM 0 H LEU A 40 -14.236 -5.667 -15.814 1.00 0.00 H new ATOM 0 HA LEU A 40 -11.916 -5.160 -14.250 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -12.761 -6.583 -16.829 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -11.047 -6.503 -16.471 1.00 0.00 H new ATOM 0 HG LEU A 40 -13.086 -7.440 -14.371 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -12.448 -9.763 -14.979 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.207 -8.942 -16.364 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.440 -9.145 -16.309 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -10.984 -8.457 -13.402 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.056 -7.856 -14.797 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.766 -6.707 -13.639 1.00 0.00 H new ATOM 608 N SER A 41 -11.709 -3.457 -16.978 1.00 0.00 N ATOM 609 CA SER A 41 -10.945 -2.332 -17.611 1.00 0.00 C ATOM 610 C SER A 41 -10.248 -1.433 -16.575 1.00 0.00 C ATOM 611 O SER A 41 -9.048 -1.441 -16.414 1.00 0.00 O ATOM 612 CB SER A 41 -11.970 -1.574 -18.460 1.00 0.00 C ATOM 613 OG SER A 41 -12.423 -2.577 -19.370 1.00 0.00 O ATOM 0 H SER A 41 -12.503 -3.777 -17.533 1.00 0.00 H new ATOM 0 HA SER A 41 -10.124 -2.705 -18.223 1.00 0.00 H new ATOM 0 HB2 SER A 41 -12.785 -1.178 -17.854 1.00 0.00 H new ATOM 0 HB3 SER A 41 -11.520 -0.728 -18.980 1.00 0.00 H new ATOM 0 HG SER A 41 -13.096 -2.194 -19.971 1.00 0.00 H new ATOM 619 N TRP A 42 -11.059 -0.705 -15.868 1.00 0.00 N ATOM 620 CA TRP A 42 -10.532 0.224 -14.824 1.00 0.00 C ATOM 621 C TRP A 42 -9.913 -0.519 -13.609 1.00 0.00 C ATOM 622 O TRP A 42 -8.760 -0.317 -13.261 1.00 0.00 O ATOM 623 CB TRP A 42 -11.708 1.104 -14.394 1.00 0.00 C ATOM 624 CG TRP A 42 -11.134 2.283 -13.629 1.00 0.00 C ATOM 625 CD1 TRP A 42 -10.816 3.459 -14.211 1.00 0.00 C ATOM 626 CD2 TRP A 42 -10.856 2.343 -12.310 1.00 0.00 C ATOM 627 NE1 TRP A 42 -10.363 4.165 -13.201 1.00 0.00 N ATOM 628 CE2 TRP A 42 -10.342 3.585 -12.015 1.00 0.00 C ATOM 629 CE3 TRP A 42 -11.002 1.411 -11.300 1.00 0.00 C ATOM 630 CZ2 TRP A 42 -9.973 3.908 -10.732 1.00 0.00 C ATOM 631 CZ3 TRP A 42 -10.634 1.726 -10.008 1.00 0.00 C ATOM 632 CH2 TRP A 42 -10.117 2.978 -9.723 1.00 0.00 C ATOM 0 H TRP A 42 -12.074 -0.710 -15.966 1.00 0.00 H new ATOM 0 HA TRP A 42 -9.716 0.818 -15.236 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -12.269 1.447 -15.263 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -12.401 0.541 -13.769 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -10.911 3.747 -15.248 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -10.040 5.124 -13.328 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -11.405 0.434 -11.522 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -9.572 4.887 -10.514 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -10.749 0.997 -9.220 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -9.827 3.226 -8.713 1.00 0.00 H new ATOM 643 N ARG A 43 -10.740 -1.353 -13.020 1.00 0.00 N ATOM 644 CA ARG A 43 -10.389 -2.195 -11.818 1.00 0.00 C ATOM 645 C ARG A 43 -8.913 -2.695 -11.846 1.00 0.00 C ATOM 646 O ARG A 43 -8.195 -2.736 -10.859 1.00 0.00 O ATOM 647 CB ARG A 43 -11.394 -3.375 -11.802 1.00 0.00 C ATOM 648 CG ARG A 43 -11.648 -3.811 -10.333 1.00 0.00 C ATOM 649 CD ARG A 43 -12.274 -5.197 -10.305 1.00 0.00 C ATOM 650 NE ARG A 43 -13.572 -5.156 -11.063 1.00 0.00 N ATOM 651 CZ ARG A 43 -14.382 -6.147 -11.084 1.00 0.00 C ATOM 652 NH1 ARG A 43 -13.909 -7.317 -11.029 1.00 0.00 N ATOM 653 NH2 ARG A 43 -15.626 -5.930 -11.159 1.00 0.00 N ATOM 0 H ARG A 43 -11.698 -1.493 -13.341 1.00 0.00 H new ATOM 0 HA ARG A 43 -10.464 -1.601 -10.907 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -12.331 -3.077 -12.272 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -11.000 -4.212 -12.379 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -10.710 -3.815 -9.778 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -12.306 -3.095 -9.841 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -11.598 -5.926 -10.752 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -12.447 -5.513 -9.276 1.00 0.00 H new ATOM 0 HE ARG A 43 -13.815 -4.310 -11.578 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -12.900 -7.457 -10.969 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -14.536 -8.122 -11.044 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -15.975 -4.973 -11.202 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -16.280 -6.713 -11.176 1.00 0.00 H new ATOM 667 N SER A 44 -8.559 -3.067 -13.052 1.00 0.00 N ATOM 668 CA SER A 44 -7.205 -3.591 -13.428 1.00 0.00 C ATOM 669 C SER A 44 -6.283 -2.410 -13.803 1.00 0.00 C ATOM 670 O SER A 44 -5.234 -2.298 -13.203 1.00 0.00 O ATOM 671 CB SER A 44 -7.388 -4.539 -14.617 1.00 0.00 C ATOM 672 OG SER A 44 -7.797 -3.662 -15.661 1.00 0.00 O ATOM 0 H SER A 44 -9.200 -3.025 -13.844 1.00 0.00 H new ATOM 0 HA SER A 44 -6.745 -4.126 -12.597 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.463 -5.059 -14.865 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.139 -5.303 -14.413 1.00 0.00 H new ATOM 0 HG SER A 44 -8.771 -3.556 -15.636 1.00 0.00 H new ATOM 678 N LYS A 45 -6.660 -1.589 -14.759 1.00 0.00 N ATOM 679 CA LYS A 45 -5.858 -0.397 -15.201 1.00 0.00 C ATOM 680 C LYS A 45 -5.059 0.178 -14.010 1.00 0.00 C ATOM 681 O LYS A 45 -3.847 0.262 -14.066 1.00 0.00 O ATOM 682 CB LYS A 45 -6.871 0.643 -15.787 1.00 0.00 C ATOM 683 CG LYS A 45 -6.171 1.878 -16.437 1.00 0.00 C ATOM 684 CD LYS A 45 -7.278 2.984 -16.728 1.00 0.00 C ATOM 685 CE LYS A 45 -6.742 4.352 -17.267 1.00 0.00 C ATOM 686 NZ LYS A 45 -6.407 4.257 -18.732 1.00 0.00 N ATOM 0 H LYS A 45 -7.533 -1.704 -15.274 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.126 -0.666 -15.963 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.496 0.152 -16.533 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.533 0.985 -14.991 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.404 2.274 -15.771 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.671 1.588 -17.361 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.987 2.581 -17.452 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.832 3.169 -15.808 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.491 5.128 -17.111 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.856 4.647 -16.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.054 5.176 -19.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.676 3.532 -18.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.260 3.998 -19.267 1.00 0.00 H new ATOM 700 N TYR A 46 -5.787 0.534 -12.974 1.00 0.00 N ATOM 701 CA TYR A 46 -5.169 1.120 -11.740 1.00 0.00 C ATOM 702 C TYR A 46 -5.839 0.915 -10.348 1.00 0.00 C ATOM 703 O TYR A 46 -6.587 1.778 -9.943 1.00 0.00 O ATOM 704 CB TYR A 46 -4.993 2.654 -12.026 1.00 0.00 C ATOM 705 CG TYR A 46 -3.844 2.870 -13.012 1.00 0.00 C ATOM 706 CD1 TYR A 46 -2.587 2.365 -12.746 1.00 0.00 C ATOM 707 CD2 TYR A 46 -4.058 3.545 -14.191 1.00 0.00 C ATOM 708 CE1 TYR A 46 -1.565 2.528 -13.646 1.00 0.00 C ATOM 709 CE2 TYR A 46 -3.026 3.707 -15.092 1.00 0.00 C ATOM 710 CZ TYR A 46 -1.779 3.194 -14.816 1.00 0.00 C ATOM 711 OH TYR A 46 -0.742 3.327 -15.707 1.00 0.00 O ATOM 0 H TYR A 46 -6.802 0.441 -12.933 1.00 0.00 H new ATOM 0 HA TYR A 46 -4.251 0.549 -11.599 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.916 3.065 -12.434 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.791 3.186 -11.096 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.407 1.837 -11.821 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.035 3.949 -14.412 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.586 2.127 -13.427 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.197 4.238 -16.017 1.00 0.00 H new ATOM 0 HH TYR A 46 -1.049 3.824 -16.494 1.00 0.00 H new ATOM 721 N GLY A 47 -5.617 -0.165 -9.625 1.00 0.00 N ATOM 722 CA GLY A 47 -6.288 -0.306 -8.250 1.00 0.00 C ATOM 723 C GLY A 47 -5.421 -0.935 -7.123 1.00 0.00 C ATOM 724 O GLY A 47 -6.029 -1.508 -6.245 1.00 0.00 O ATOM 0 H GLY A 47 -5.020 -0.944 -9.903 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.610 0.683 -7.923 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.187 -0.911 -8.368 1.00 0.00 H new ATOM 728 N TRP A 48 -4.083 -0.850 -7.100 1.00 0.00 N ATOM 729 CA TRP A 48 -3.313 -1.511 -5.995 1.00 0.00 C ATOM 730 C TRP A 48 -2.147 -0.875 -5.211 1.00 0.00 C ATOM 731 O TRP A 48 -1.027 -1.292 -5.413 1.00 0.00 O ATOM 732 CB TRP A 48 -2.818 -3.047 -6.558 1.00 0.00 C ATOM 733 CG TRP A 48 -4.087 -3.565 -7.205 1.00 0.00 C ATOM 734 CD1 TRP A 48 -4.456 -2.973 -8.349 1.00 0.00 C ATOM 735 CD2 TRP A 48 -5.077 -4.405 -6.772 1.00 0.00 C ATOM 736 NE1 TRP A 48 -5.656 -3.441 -8.554 1.00 0.00 N ATOM 737 CE2 TRP A 48 -6.090 -4.280 -7.674 1.00 0.00 C ATOM 738 CE3 TRP A 48 -5.305 -5.299 -5.754 1.00 0.00 C ATOM 739 CZ2 TRP A 48 -7.265 -4.929 -7.608 1.00 0.00 C ATOM 740 CZ3 TRP A 48 -6.491 -5.994 -5.655 1.00 0.00 C ATOM 741 CH2 TRP A 48 -7.479 -5.808 -6.577 1.00 0.00 C ATOM 0 H TRP A 48 -3.517 -0.358 -7.792 1.00 0.00 H new ATOM 0 HA TRP A 48 -4.064 -1.446 -5.208 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -1.996 -2.976 -7.270 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -2.481 -3.691 -5.746 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -3.895 -2.277 -8.955 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -6.216 -3.162 -9.359 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -4.536 -5.461 -5.013 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -8.028 -4.761 -8.354 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -6.639 -6.690 -4.843 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -8.413 -6.344 -6.497 1.00 0.00 H new ATOM 752 N THR A 49 -2.486 0.127 -4.429 1.00 0.00 N ATOM 753 CA THR A 49 -1.526 0.879 -3.514 1.00 0.00 C ATOM 754 C THR A 49 -2.361 1.582 -2.450 1.00 0.00 C ATOM 755 O THR A 49 -3.553 1.777 -2.579 1.00 0.00 O ATOM 756 CB THR A 49 -0.639 2.070 -4.113 1.00 0.00 C ATOM 757 OG1 THR A 49 -1.242 3.348 -3.938 1.00 0.00 O ATOM 758 CG2 THR A 49 -0.428 1.912 -5.564 1.00 0.00 C ATOM 0 H THR A 49 -3.441 0.481 -4.379 1.00 0.00 H new ATOM 0 HA THR A 49 -0.837 0.092 -3.209 1.00 0.00 H new ATOM 0 HB THR A 49 0.301 2.017 -3.564 1.00 0.00 H new ATOM 0 HG1 THR A 49 -2.128 3.352 -4.357 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.178 2.738 -5.936 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.086 0.970 -5.757 1.00 0.00 H new ATOM 0 HG23 THR A 49 -1.391 1.911 -6.074 1.00 0.00 H new ATOM 766 N ALA A 50 -1.698 1.955 -1.412 1.00 0.00 N ATOM 767 CA ALA A 50 -2.372 2.661 -0.305 1.00 0.00 C ATOM 768 C ALA A 50 -1.614 3.970 -0.184 1.00 0.00 C ATOM 769 O ALA A 50 -0.654 4.216 -0.897 1.00 0.00 O ATOM 770 CB ALA A 50 -2.236 1.822 0.971 1.00 0.00 C ATOM 0 H ALA A 50 -0.699 1.799 -1.278 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.437 2.827 -0.470 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.730 2.333 1.797 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.700 0.848 0.817 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.180 1.687 1.207 1.00 0.00 H new ATOM 776 N PHE A 51 -2.092 4.772 0.705 1.00 0.00 N ATOM 777 CA PHE A 51 -1.455 6.080 0.969 1.00 0.00 C ATOM 778 C PHE A 51 -0.836 5.728 2.322 1.00 0.00 C ATOM 779 O PHE A 51 -1.571 5.538 3.273 1.00 0.00 O ATOM 780 CB PHE A 51 -2.528 7.190 1.083 1.00 0.00 C ATOM 781 CG PHE A 51 -1.979 8.352 1.945 1.00 0.00 C ATOM 782 CD1 PHE A 51 -0.644 8.718 1.894 1.00 0.00 C ATOM 783 CD2 PHE A 51 -2.820 9.038 2.797 1.00 0.00 C ATOM 784 CE1 PHE A 51 -0.162 9.742 2.680 1.00 0.00 C ATOM 785 CE2 PHE A 51 -2.339 10.067 3.588 1.00 0.00 C ATOM 786 CZ PHE A 51 -1.010 10.416 3.528 1.00 0.00 C ATOM 0 H PHE A 51 -2.915 4.575 1.274 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.763 6.463 0.219 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -2.797 7.554 0.091 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -3.436 6.788 1.532 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.028 8.194 1.230 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -3.865 8.769 2.847 1.00 0.00 H new ATOM 0 HE1 PHE A 51 0.882 10.015 2.630 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.007 10.596 4.252 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.633 11.218 4.146 1.00 0.00 H new ATOM 796 N CYS A 52 0.463 5.639 2.364 1.00 0.00 N ATOM 797 CA CYS A 52 1.151 5.294 3.643 1.00 0.00 C ATOM 798 C CYS A 52 1.893 6.516 4.195 1.00 0.00 C ATOM 799 O CYS A 52 1.749 6.834 5.356 1.00 0.00 O ATOM 800 CB CYS A 52 2.111 4.116 3.348 1.00 0.00 C ATOM 801 SG CYS A 52 2.645 3.142 4.777 1.00 0.00 S ATOM 0 H CYS A 52 1.081 5.790 1.567 1.00 0.00 H new ATOM 0 HA CYS A 52 0.434 4.996 4.408 1.00 0.00 H new ATOM 0 HB2 CYS A 52 1.623 3.446 2.640 1.00 0.00 H new ATOM 0 HB3 CYS A 52 2.998 4.512 2.853 1.00 0.00 H new ATOM 806 N GLY A 53 2.669 7.158 3.361 1.00 0.00 N ATOM 807 CA GLY A 53 3.428 8.364 3.817 1.00 0.00 C ATOM 808 C GLY A 53 4.934 8.085 3.836 1.00 0.00 C ATOM 809 O GLY A 53 5.425 7.311 3.038 1.00 0.00 O ATOM 0 H GLY A 53 2.811 6.901 2.384 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.218 9.203 3.154 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.095 8.653 4.814 1.00 0.00 H new ATOM 813 N PRO A 54 5.666 8.705 4.737 1.00 0.00 N ATOM 814 CA PRO A 54 5.152 9.699 5.738 1.00 0.00 C ATOM 815 C PRO A 54 4.439 10.913 5.096 1.00 0.00 C ATOM 816 O PRO A 54 3.466 11.432 5.600 1.00 0.00 O ATOM 817 CB PRO A 54 6.387 10.117 6.560 1.00 0.00 C ATOM 818 CG PRO A 54 7.584 9.243 6.069 1.00 0.00 C ATOM 819 CD PRO A 54 7.128 8.453 4.831 1.00 0.00 C ATOM 0 HA PRO A 54 4.377 9.252 6.360 1.00 0.00 H new ATOM 0 HB2 PRO A 54 6.601 11.177 6.421 1.00 0.00 H new ATOM 0 HB3 PRO A 54 6.210 9.965 7.625 1.00 0.00 H new ATOM 0 HG2 PRO A 54 8.439 9.873 5.824 1.00 0.00 H new ATOM 0 HG3 PRO A 54 7.905 8.562 6.857 1.00 0.00 H new ATOM 0 HD2 PRO A 54 7.646 8.791 3.933 1.00 0.00 H new ATOM 0 HD3 PRO A 54 7.340 7.389 4.940 1.00 0.00 H new ATOM 827 N ALA A 55 4.968 11.318 3.981 1.00 0.00 N ATOM 828 CA ALA A 55 4.416 12.481 3.228 1.00 0.00 C ATOM 829 C ALA A 55 3.387 12.077 2.149 1.00 0.00 C ATOM 830 O ALA A 55 3.283 10.936 1.758 1.00 0.00 O ATOM 831 CB ALA A 55 5.612 13.202 2.588 1.00 0.00 C ATOM 0 H ALA A 55 5.781 10.882 3.546 1.00 0.00 H new ATOM 0 HA ALA A 55 3.871 13.127 3.917 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.257 14.064 2.023 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.296 13.535 3.368 1.00 0.00 H new ATOM 0 HB3 ALA A 55 6.133 12.518 1.917 1.00 0.00 H new ATOM 837 N GLY A 56 2.658 13.059 1.702 1.00 0.00 N ATOM 838 CA GLY A 56 1.609 12.835 0.642 1.00 0.00 C ATOM 839 C GLY A 56 0.161 13.053 1.089 1.00 0.00 C ATOM 840 O GLY A 56 -0.608 12.116 1.033 1.00 0.00 O ATOM 0 H GLY A 56 2.737 14.024 2.024 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.816 13.501 -0.196 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.706 11.815 0.270 1.00 0.00 H new ATOM 844 N PRO A 57 -0.205 14.243 1.510 1.00 0.00 N ATOM 845 CA PRO A 57 -1.553 14.439 2.102 1.00 0.00 C ATOM 846 C PRO A 57 -2.618 14.150 1.012 1.00 0.00 C ATOM 847 O PRO A 57 -2.902 14.959 0.148 1.00 0.00 O ATOM 848 CB PRO A 57 -1.500 15.905 2.619 1.00 0.00 C ATOM 849 CG PRO A 57 -0.462 16.583 1.675 1.00 0.00 C ATOM 850 CD PRO A 57 0.608 15.484 1.442 1.00 0.00 C ATOM 0 HA PRO A 57 -1.825 13.774 2.922 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.475 16.388 2.557 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.186 15.952 3.662 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -0.921 16.898 0.738 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.028 17.472 2.132 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.104 15.595 0.478 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.387 15.504 2.205 1.00 0.00 H new ATOM 858 N ARG A 58 -3.170 12.967 1.089 1.00 0.00 N ATOM 859 CA ARG A 58 -4.215 12.504 0.138 1.00 0.00 C ATOM 860 C ARG A 58 -5.026 11.345 0.782 1.00 0.00 C ATOM 861 O ARG A 58 -4.820 10.199 0.424 1.00 0.00 O ATOM 862 CB ARG A 58 -3.415 12.116 -1.085 1.00 0.00 C ATOM 863 CG ARG A 58 -4.337 11.963 -2.297 1.00 0.00 C ATOM 864 CD ARG A 58 -4.035 13.075 -3.321 1.00 0.00 C ATOM 865 NE ARG A 58 -4.402 14.409 -2.720 1.00 0.00 N ATOM 866 CZ ARG A 58 -3.835 15.484 -3.117 1.00 0.00 C ATOM 867 NH1 ARG A 58 -4.146 15.907 -4.265 1.00 0.00 N ATOM 868 NH2 ARG A 58 -3.009 16.073 -2.368 1.00 0.00 N ATOM 0 H ARG A 58 -2.926 12.279 1.802 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.973 13.242 -0.124 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.659 12.874 -1.288 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.887 11.180 -0.901 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.193 10.984 -2.755 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.379 12.018 -1.983 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.979 13.061 -3.591 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.601 12.907 -4.237 1.00 0.00 H new ATOM 0 HE ARG A 58 -5.111 14.454 -1.988 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.823 15.395 -4.831 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.721 16.761 -4.626 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -2.794 15.692 -1.447 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -2.556 16.931 -2.683 1.00 0.00 H new ATOM 882 N GLY A 59 -5.889 11.685 1.730 1.00 0.00 N ATOM 883 CA GLY A 59 -6.764 10.669 2.455 1.00 0.00 C ATOM 884 C GLY A 59 -6.969 9.413 1.655 1.00 0.00 C ATOM 885 O GLY A 59 -7.269 9.457 0.482 1.00 0.00 O ATOM 0 H GLY A 59 -6.029 12.646 2.041 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.306 10.416 3.411 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.732 11.119 2.674 1.00 0.00 H new ATOM 889 N GLN A 60 -6.826 8.304 2.320 1.00 0.00 N ATOM 890 CA GLN A 60 -7.003 6.977 1.657 1.00 0.00 C ATOM 891 C GLN A 60 -8.237 6.897 0.692 1.00 0.00 C ATOM 892 O GLN A 60 -8.353 5.964 -0.066 1.00 0.00 O ATOM 893 CB GLN A 60 -7.059 5.947 2.825 1.00 0.00 C ATOM 894 CG GLN A 60 -5.714 5.996 3.675 1.00 0.00 C ATOM 895 CD GLN A 60 -6.025 6.200 5.160 1.00 0.00 C ATOM 896 OE1 GLN A 60 -6.598 5.388 5.849 1.00 0.00 O ATOM 897 NE2 GLN A 60 -5.676 7.302 5.742 1.00 0.00 N ATOM 0 H GLN A 60 -6.590 8.256 3.311 1.00 0.00 H new ATOM 0 HA GLN A 60 -6.176 6.770 0.978 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -7.911 6.164 3.469 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -7.208 4.944 2.426 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -5.156 5.069 3.538 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.079 6.806 3.316 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -5.189 8.026 5.213 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -5.888 7.447 6.729 1.00 0.00 H new ATOM 906 N ALA A 61 -9.129 7.857 0.721 1.00 0.00 N ATOM 907 CA ALA A 61 -10.352 7.884 -0.160 1.00 0.00 C ATOM 908 C ALA A 61 -10.077 8.589 -1.512 1.00 0.00 C ATOM 909 O ALA A 61 -10.925 8.677 -2.382 1.00 0.00 O ATOM 910 CB ALA A 61 -11.450 8.626 0.616 1.00 0.00 C ATOM 0 H ALA A 61 -9.060 8.660 1.346 1.00 0.00 H new ATOM 0 HA ALA A 61 -10.655 6.865 -0.400 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -12.357 8.669 0.012 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -11.658 8.098 1.547 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -11.116 9.639 0.841 1.00 0.00 H new ATOM 916 N ALA A 62 -8.874 9.062 -1.660 1.00 0.00 N ATOM 917 CA ALA A 62 -8.438 9.777 -2.890 1.00 0.00 C ATOM 918 C ALA A 62 -8.080 8.792 -4.025 1.00 0.00 C ATOM 919 O ALA A 62 -7.052 8.886 -4.676 1.00 0.00 O ATOM 920 CB ALA A 62 -7.227 10.654 -2.475 1.00 0.00 C ATOM 0 H ALA A 62 -8.146 8.979 -0.950 1.00 0.00 H new ATOM 0 HA ALA A 62 -9.241 10.395 -3.291 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.863 11.205 -3.342 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.535 11.357 -1.701 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.431 10.017 -2.090 1.00 0.00 H new ATOM 926 N CYS A 63 -9.017 7.899 -4.218 1.00 0.00 N ATOM 927 CA CYS A 63 -8.969 6.811 -5.248 1.00 0.00 C ATOM 928 C CYS A 63 -9.394 7.553 -6.538 1.00 0.00 C ATOM 929 O CYS A 63 -10.392 7.329 -7.182 1.00 0.00 O ATOM 930 CB CYS A 63 -9.973 5.726 -4.777 1.00 0.00 C ATOM 931 SG CYS A 63 -10.093 4.177 -5.705 1.00 0.00 S ATOM 0 H CYS A 63 -9.873 7.880 -3.663 1.00 0.00 H new ATOM 0 HA CYS A 63 -8.016 6.306 -5.405 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -9.724 5.473 -3.746 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -10.964 6.179 -4.764 1.00 0.00 H new ATOM 936 N GLY A 64 -8.533 8.478 -6.828 1.00 0.00 N ATOM 937 CA GLY A 64 -8.600 9.412 -7.992 1.00 0.00 C ATOM 938 C GLY A 64 -7.187 9.820 -8.405 1.00 0.00 C ATOM 939 O GLY A 64 -6.983 10.208 -9.538 1.00 0.00 O ATOM 0 H GLY A 64 -7.708 8.640 -6.251 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.109 8.932 -8.827 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.182 10.295 -7.729 1.00 0.00 H new ATOM 943 N LYS A 65 -6.245 9.740 -7.480 1.00 0.00 N ATOM 944 CA LYS A 65 -4.835 10.119 -7.821 1.00 0.00 C ATOM 945 C LYS A 65 -3.941 8.883 -7.825 1.00 0.00 C ATOM 946 O LYS A 65 -4.109 7.935 -7.085 1.00 0.00 O ATOM 947 CB LYS A 65 -4.232 11.111 -6.788 1.00 0.00 C ATOM 948 CG LYS A 65 -4.604 12.567 -7.103 1.00 0.00 C ATOM 949 CD LYS A 65 -6.068 12.805 -6.732 1.00 0.00 C ATOM 950 CE LYS A 65 -6.402 14.249 -7.010 1.00 0.00 C ATOM 951 NZ LYS A 65 -7.715 14.516 -6.347 1.00 0.00 N ATOM 0 H LYS A 65 -6.394 9.433 -6.519 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.872 10.588 -8.804 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.586 10.854 -5.790 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.147 11.008 -6.778 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.960 13.248 -6.546 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.447 12.774 -8.162 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.717 12.148 -7.310 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.235 12.573 -5.680 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -5.628 14.909 -6.618 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.464 14.433 -8.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -7.992 15.505 -6.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.439 13.884 -6.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.629 14.345 -5.325 1.00 0.00 H new ATOM 965 N CYS A 66 -2.967 8.967 -8.679 1.00 0.00 N ATOM 966 CA CYS A 66 -1.976 7.881 -8.858 1.00 0.00 C ATOM 967 C CYS A 66 -0.608 8.259 -8.266 1.00 0.00 C ATOM 968 O CYS A 66 -0.343 9.368 -7.836 1.00 0.00 O ATOM 969 CB CYS A 66 -1.901 7.612 -10.366 1.00 0.00 C ATOM 970 SG CYS A 66 -3.331 6.777 -11.088 1.00 0.00 S ATOM 0 H CYS A 66 -2.813 9.775 -9.282 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.278 6.981 -8.323 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -1.762 8.564 -10.879 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -1.014 7.010 -10.565 1.00 0.00 H new ATOM 975 N LEU A 67 0.229 7.264 -8.290 1.00 0.00 N ATOM 976 CA LEU A 67 1.630 7.354 -7.767 1.00 0.00 C ATOM 977 C LEU A 67 2.675 6.839 -8.783 1.00 0.00 C ATOM 978 O LEU A 67 2.615 5.708 -9.216 1.00 0.00 O ATOM 979 CB LEU A 67 1.623 6.538 -6.442 1.00 0.00 C ATOM 980 CG LEU A 67 1.320 7.456 -5.237 1.00 0.00 C ATOM 981 CD1 LEU A 67 0.835 6.594 -4.060 1.00 0.00 C ATOM 982 CD2 LEU A 67 2.628 8.105 -4.819 1.00 0.00 C ATOM 0 H LEU A 67 -0.008 6.347 -8.668 1.00 0.00 H new ATOM 0 HA LEU A 67 1.927 8.388 -7.592 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.875 5.747 -6.500 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.589 6.053 -6.302 1.00 0.00 H new ATOM 0 HG LEU A 67 0.565 8.196 -5.502 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.619 7.234 -3.205 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.069 6.058 -4.350 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.611 5.878 -3.790 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.452 8.763 -3.968 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.344 7.333 -4.539 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.028 8.686 -5.650 1.00 0.00 H new ATOM 994 N ARG A 68 3.618 7.650 -9.152 1.00 0.00 N ATOM 995 CA ARG A 68 4.657 7.205 -10.131 1.00 0.00 C ATOM 996 C ARG A 68 5.813 6.715 -9.226 1.00 0.00 C ATOM 997 O ARG A 68 6.257 7.444 -8.354 1.00 0.00 O ATOM 998 CB ARG A 68 5.018 8.433 -10.986 1.00 0.00 C ATOM 999 CG ARG A 68 5.792 8.000 -12.243 1.00 0.00 C ATOM 1000 CD ARG A 68 6.339 9.258 -12.951 1.00 0.00 C ATOM 1001 NE ARG A 68 7.386 9.832 -12.031 1.00 0.00 N ATOM 1002 CZ ARG A 68 8.618 9.573 -12.231 1.00 0.00 C ATOM 1003 NH1 ARG A 68 8.973 8.500 -11.662 1.00 0.00 N ATOM 1004 NH2 ARG A 68 9.358 10.339 -12.927 1.00 0.00 N ATOM 0 H ARG A 68 3.721 8.609 -8.820 1.00 0.00 H new ATOM 0 HA ARG A 68 4.367 6.416 -10.824 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.110 8.963 -11.274 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.621 9.128 -10.401 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.611 7.334 -11.971 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.139 7.443 -12.915 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.768 9.004 -13.920 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.543 9.980 -13.134 1.00 0.00 H new ATOM 0 HE ARG A 68 7.109 10.427 -11.250 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.296 7.960 -11.124 1.00 0.00 H new ATOM 0 HH12 ARG A 68 9.937 8.175 -11.742 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.969 11.186 -13.342 1.00 0.00 H new ATOM 0 HH22 ARG A 68 10.341 10.106 -13.070 1.00 0.00 H new ATOM 1018 N VAL A 69 6.266 5.511 -9.474 1.00 0.00 N ATOM 1019 CA VAL A 69 7.376 4.896 -8.664 1.00 0.00 C ATOM 1020 C VAL A 69 8.640 4.594 -9.505 1.00 0.00 C ATOM 1021 O VAL A 69 8.554 3.910 -10.508 1.00 0.00 O ATOM 1022 CB VAL A 69 6.847 3.570 -8.031 1.00 0.00 C ATOM 1023 CG1 VAL A 69 7.862 3.010 -7.014 1.00 0.00 C ATOM 1024 CG2 VAL A 69 5.459 3.749 -7.367 1.00 0.00 C ATOM 0 H VAL A 69 5.909 4.912 -10.218 1.00 0.00 H new ATOM 0 HA VAL A 69 7.670 5.615 -7.899 1.00 0.00 H new ATOM 0 HB VAL A 69 6.727 2.854 -8.844 1.00 0.00 H new ATOM 0 HG11 VAL A 69 7.475 2.086 -6.584 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.807 2.808 -7.517 1.00 0.00 H new ATOM 0 HG13 VAL A 69 8.022 3.740 -6.220 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.134 2.800 -6.941 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.527 4.496 -6.577 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.737 4.077 -8.115 1.00 0.00 H new ATOM 1034 N THR A 70 9.755 5.118 -9.043 1.00 0.00 N ATOM 1035 CA THR A 70 11.090 4.923 -9.734 1.00 0.00 C ATOM 1036 C THR A 70 12.158 4.353 -8.760 1.00 0.00 C ATOM 1037 O THR A 70 12.244 4.813 -7.630 1.00 0.00 O ATOM 1038 CB THR A 70 11.657 6.265 -10.287 1.00 0.00 C ATOM 1039 OG1 THR A 70 10.871 6.687 -11.397 1.00 0.00 O ATOM 1040 CG2 THR A 70 13.026 6.004 -10.951 1.00 0.00 C ATOM 0 H THR A 70 9.803 5.686 -8.197 1.00 0.00 H new ATOM 0 HA THR A 70 10.899 4.225 -10.549 1.00 0.00 H new ATOM 0 HB THR A 70 11.685 6.975 -9.460 1.00 0.00 H new ATOM 0 HG1 THR A 70 11.456 7.056 -12.091 1.00 0.00 H new ATOM 0 HG21 THR A 70 13.426 6.940 -11.339 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.715 5.593 -10.214 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.904 5.294 -11.769 1.00 0.00 H new ATOM 1048 N ASN A 71 12.922 3.401 -9.244 1.00 0.00 N ATOM 1049 CA ASN A 71 14.016 2.710 -8.475 1.00 0.00 C ATOM 1050 C ASN A 71 15.471 3.054 -8.926 1.00 0.00 C ATOM 1051 O ASN A 71 16.035 2.309 -9.707 1.00 0.00 O ATOM 1052 CB ASN A 71 13.726 1.220 -8.634 1.00 0.00 C ATOM 1053 CG ASN A 71 14.782 0.287 -8.022 1.00 0.00 C ATOM 1054 OD1 ASN A 71 14.761 -0.898 -8.236 1.00 0.00 O ATOM 1055 ND2 ASN A 71 15.751 0.665 -7.251 1.00 0.00 N ATOM 0 H ASN A 71 12.825 3.054 -10.198 1.00 0.00 H new ATOM 0 HA ASN A 71 13.999 3.050 -7.440 1.00 0.00 H new ATOM 0 HB2 ASN A 71 12.761 1.002 -8.177 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.634 0.994 -9.696 1.00 0.00 H new ATOM 0 HD21 ASN A 71 16.410 -0.023 -6.885 1.00 0.00 H new ATOM 0 HD22 ASN A 71 15.856 1.650 -7.009 1.00 0.00 H new ATOM 1062 N PRO A 72 16.065 4.130 -8.442 1.00 0.00 N ATOM 1063 CA PRO A 72 17.353 4.660 -9.008 1.00 0.00 C ATOM 1064 C PRO A 72 18.372 3.536 -9.276 1.00 0.00 C ATOM 1065 O PRO A 72 18.963 3.457 -10.330 1.00 0.00 O ATOM 1066 CB PRO A 72 17.817 5.690 -7.967 1.00 0.00 C ATOM 1067 CG PRO A 72 16.479 6.226 -7.398 1.00 0.00 C ATOM 1068 CD PRO A 72 15.593 4.956 -7.288 1.00 0.00 C ATOM 0 HA PRO A 72 17.234 5.119 -9.989 1.00 0.00 H new ATOM 0 HB2 PRO A 72 18.433 5.233 -7.192 1.00 0.00 H new ATOM 0 HB3 PRO A 72 18.411 6.484 -8.420 1.00 0.00 H new ATOM 0 HG2 PRO A 72 16.618 6.703 -6.428 1.00 0.00 H new ATOM 0 HG3 PRO A 72 16.033 6.970 -8.057 1.00 0.00 H new ATOM 0 HD2 PRO A 72 15.736 4.443 -6.337 1.00 0.00 H new ATOM 0 HD3 PRO A 72 14.532 5.194 -7.366 1.00 0.00 H new ATOM 1076 N ALA A 73 18.530 2.703 -8.280 1.00 0.00 N ATOM 1077 CA ALA A 73 19.467 1.536 -8.327 1.00 0.00 C ATOM 1078 C ALA A 73 19.317 0.602 -9.551 1.00 0.00 C ATOM 1079 O ALA A 73 20.291 0.051 -10.022 1.00 0.00 O ATOM 1080 CB ALA A 73 19.259 0.747 -7.040 1.00 0.00 C ATOM 0 H ALA A 73 18.026 2.788 -7.397 1.00 0.00 H new ATOM 0 HA ALA A 73 20.475 1.938 -8.426 1.00 0.00 H new ATOM 0 HB1 ALA A 73 19.924 -0.116 -7.031 1.00 0.00 H new ATOM 0 HB2 ALA A 73 19.479 1.384 -6.183 1.00 0.00 H new ATOM 0 HB3 ALA A 73 18.224 0.408 -6.984 1.00 0.00 H new ATOM 1086 N THR A 74 18.121 0.425 -10.034 1.00 0.00 N ATOM 1087 CA THR A 74 17.930 -0.480 -11.227 1.00 0.00 C ATOM 1088 C THR A 74 17.594 0.337 -12.459 1.00 0.00 C ATOM 1089 O THR A 74 17.919 -0.027 -13.571 1.00 0.00 O ATOM 1090 CB THR A 74 16.773 -1.473 -10.997 1.00 0.00 C ATOM 1091 OG1 THR A 74 15.636 -0.675 -10.712 1.00 0.00 O ATOM 1092 CG2 THR A 74 16.979 -2.278 -9.714 1.00 0.00 C ATOM 0 H THR A 74 17.271 0.855 -9.669 1.00 0.00 H new ATOM 0 HA THR A 74 18.863 -1.026 -11.367 1.00 0.00 H new ATOM 0 HB THR A 74 16.692 -2.132 -11.861 1.00 0.00 H new ATOM 0 HG1 THR A 74 15.153 -1.055 -9.949 1.00 0.00 H new ATOM 0 HG21 THR A 74 16.147 -2.969 -9.580 1.00 0.00 H new ATOM 0 HG22 THR A 74 17.910 -2.841 -9.783 1.00 0.00 H new ATOM 0 HG23 THR A 74 17.028 -1.599 -8.862 1.00 0.00 H new ATOM 1100 N GLY A 75 16.930 1.427 -12.198 1.00 0.00 N ATOM 1101 CA GLY A 75 16.496 2.368 -13.275 1.00 0.00 C ATOM 1102 C GLY A 75 15.067 1.994 -13.651 1.00 0.00 C ATOM 1103 O GLY A 75 14.490 2.592 -14.535 1.00 0.00 O ATOM 0 H GLY A 75 16.661 1.715 -11.257 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.545 3.400 -12.927 1.00 0.00 H new ATOM 0 HA3 GLY A 75 17.154 2.292 -14.141 1.00 0.00 H new ATOM 1107 N ALA A 76 14.524 1.020 -12.960 1.00 0.00 N ATOM 1108 CA ALA A 76 13.132 0.588 -13.279 1.00 0.00 C ATOM 1109 C ALA A 76 12.058 1.490 -12.648 1.00 0.00 C ATOM 1110 O ALA A 76 12.221 2.057 -11.581 1.00 0.00 O ATOM 1111 CB ALA A 76 12.990 -0.867 -12.791 1.00 0.00 C ATOM 0 H ALA A 76 14.979 0.514 -12.200 1.00 0.00 H new ATOM 0 HA ALA A 76 12.969 0.666 -14.354 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.983 -1.226 -13.005 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.716 -1.496 -13.306 1.00 0.00 H new ATOM 0 HB3 ALA A 76 13.170 -0.910 -11.717 1.00 0.00 H new ATOM 1117 N GLN A 77 10.978 1.599 -13.370 1.00 0.00 N ATOM 1118 CA GLN A 77 9.839 2.433 -12.908 1.00 0.00 C ATOM 1119 C GLN A 77 8.466 1.944 -13.390 1.00 0.00 C ATOM 1120 O GLN A 77 8.317 1.333 -14.431 1.00 0.00 O ATOM 1121 CB GLN A 77 10.122 3.883 -13.377 1.00 0.00 C ATOM 1122 CG GLN A 77 10.597 3.936 -14.873 1.00 0.00 C ATOM 1123 CD GLN A 77 10.884 5.390 -15.239 1.00 0.00 C ATOM 1124 OE1 GLN A 77 10.012 6.222 -15.304 1.00 0.00 O ATOM 1125 NE2 GLN A 77 12.083 5.793 -15.482 1.00 0.00 N ATOM 0 H GLN A 77 10.837 1.140 -14.270 1.00 0.00 H new ATOM 0 HA GLN A 77 9.775 2.368 -11.822 1.00 0.00 H new ATOM 0 HB2 GLN A 77 9.220 4.484 -13.262 1.00 0.00 H new ATOM 0 HB3 GLN A 77 10.885 4.328 -12.738 1.00 0.00 H new ATOM 0 HG2 GLN A 77 11.491 3.328 -15.008 1.00 0.00 H new ATOM 0 HG3 GLN A 77 9.830 3.525 -15.529 1.00 0.00 H new ATOM 0 HE21 GLN A 77 12.861 5.134 -15.442 1.00 0.00 H new ATOM 0 HE22 GLN A 77 12.255 6.771 -15.715 1.00 0.00 H new ATOM 1134 N ILE A 78 7.501 2.252 -12.570 1.00 0.00 N ATOM 1135 CA ILE A 78 6.071 1.889 -12.819 1.00 0.00 C ATOM 1136 C ILE A 78 5.071 2.990 -12.355 1.00 0.00 C ATOM 1137 O ILE A 78 5.430 3.953 -11.698 1.00 0.00 O ATOM 1138 CB ILE A 78 5.886 0.555 -12.086 1.00 0.00 C ATOM 1139 CG1 ILE A 78 4.872 -0.347 -12.813 1.00 0.00 C ATOM 1140 CG2 ILE A 78 5.445 0.753 -10.630 1.00 0.00 C ATOM 1141 CD1 ILE A 78 5.519 -0.937 -14.091 1.00 0.00 C ATOM 0 H ILE A 78 7.649 2.762 -11.699 1.00 0.00 H new ATOM 0 HA ILE A 78 5.853 1.799 -13.883 1.00 0.00 H new ATOM 0 HB ILE A 78 6.861 0.067 -12.085 1.00 0.00 H new ATOM 0 HG12 ILE A 78 4.548 -1.152 -12.153 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.983 0.227 -13.076 1.00 0.00 H new ATOM 0 HG21 ILE A 78 5.326 -0.219 -10.150 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.200 1.331 -10.097 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.495 1.287 -10.607 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.798 -1.575 -14.603 1.00 0.00 H new ATOM 0 HD12 ILE A 78 5.821 -0.126 -14.754 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.394 -1.526 -13.817 1.00 0.00 H new ATOM 1153 N THR A 79 3.837 2.767 -12.731 1.00 0.00 N ATOM 1154 CA THR A 79 2.679 3.667 -12.408 1.00 0.00 C ATOM 1155 C THR A 79 1.723 2.911 -11.463 1.00 0.00 C ATOM 1156 O THR A 79 1.065 1.969 -11.874 1.00 0.00 O ATOM 1157 CB THR A 79 1.874 4.018 -13.666 1.00 0.00 C ATOM 1158 OG1 THR A 79 2.805 4.563 -14.582 1.00 0.00 O ATOM 1159 CG2 THR A 79 0.979 5.221 -13.392 1.00 0.00 C ATOM 0 H THR A 79 3.569 1.951 -13.281 1.00 0.00 H new ATOM 0 HA THR A 79 3.075 4.579 -11.961 1.00 0.00 H new ATOM 0 HB THR A 79 1.320 3.138 -13.994 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.344 4.806 -15.412 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.411 5.464 -14.290 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.291 4.985 -12.580 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.594 6.075 -13.110 1.00 0.00 H new ATOM 1167 N ALA A 80 1.624 3.313 -10.223 1.00 0.00 N ATOM 1168 CA ALA A 80 0.700 2.584 -9.298 1.00 0.00 C ATOM 1169 C ALA A 80 -0.526 3.496 -9.001 1.00 0.00 C ATOM 1170 O ALA A 80 -0.557 4.653 -9.385 1.00 0.00 O ATOM 1171 CB ALA A 80 1.521 2.223 -8.049 1.00 0.00 C ATOM 0 H ALA A 80 2.131 4.098 -9.814 1.00 0.00 H new ATOM 0 HA ALA A 80 0.300 1.663 -9.721 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.889 1.687 -7.340 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.361 1.591 -8.336 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.896 3.135 -7.584 1.00 0.00 H new ATOM 1177 N ARG A 81 -1.500 2.971 -8.301 1.00 0.00 N ATOM 1178 CA ARG A 81 -2.756 3.738 -7.976 1.00 0.00 C ATOM 1179 C ARG A 81 -3.128 3.963 -6.472 1.00 0.00 C ATOM 1180 O ARG A 81 -3.139 2.975 -5.767 1.00 0.00 O ATOM 1181 CB ARG A 81 -3.781 2.904 -8.741 1.00 0.00 C ATOM 1182 CG ARG A 81 -3.580 1.502 -8.294 1.00 0.00 C ATOM 1183 CD ARG A 81 -2.605 0.699 -9.237 1.00 0.00 C ATOM 1184 NE ARG A 81 -1.737 -0.113 -8.312 1.00 0.00 N ATOM 1185 CZ ARG A 81 -0.853 -0.968 -8.709 1.00 0.00 C ATOM 1186 NH1 ARG A 81 -0.846 -1.403 -9.908 1.00 0.00 N ATOM 1187 NH2 ARG A 81 0.032 -1.394 -7.896 1.00 0.00 N ATOM 0 H ARG A 81 -1.482 2.021 -7.930 1.00 0.00 H new ATOM 0 HA ARG A 81 -2.669 4.788 -8.257 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.796 3.240 -8.528 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -3.634 2.996 -9.817 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -3.181 1.502 -7.280 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.544 0.994 -8.257 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -3.160 0.057 -9.921 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -2.005 1.373 -9.849 1.00 0.00 H new ATOM 0 HE ARG A 81 -1.854 0.021 -7.308 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -1.547 -1.076 -10.573 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -0.140 -2.078 -10.202 1.00 0.00 H new ATOM 0 HH21 ARG A 81 0.042 -1.060 -6.932 1.00 0.00 H new ATOM 0 HH22 ARG A 81 0.730 -2.069 -8.209 1.00 0.00 H new ATOM 1201 N ILE A 82 -3.442 5.152 -5.999 1.00 0.00 N ATOM 1202 CA ILE A 82 -3.794 5.260 -4.524 1.00 0.00 C ATOM 1203 C ILE A 82 -5.146 4.571 -4.265 1.00 0.00 C ATOM 1204 O ILE A 82 -6.079 4.813 -5.007 1.00 0.00 O ATOM 1205 CB ILE A 82 -3.922 6.765 -4.098 1.00 0.00 C ATOM 1206 CG1 ILE A 82 -2.529 7.423 -4.193 1.00 0.00 C ATOM 1207 CG2 ILE A 82 -4.442 6.859 -2.622 1.00 0.00 C ATOM 1208 CD1 ILE A 82 -2.613 8.924 -3.840 1.00 0.00 C ATOM 0 H ILE A 82 -3.472 6.020 -6.534 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.002 4.781 -3.947 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.626 7.275 -4.755 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.837 6.922 -3.515 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.132 7.302 -5.201 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.529 7.906 -2.333 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.419 6.381 -2.549 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.741 6.356 -1.956 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.621 9.371 -3.912 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -3.288 9.424 -4.535 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.989 9.038 -2.823 1.00 0.00 H new ATOM 1220 N VAL A 83 -5.248 3.733 -3.262 1.00 0.00 N ATOM 1221 CA VAL A 83 -6.582 3.058 -2.993 1.00 0.00 C ATOM 1222 C VAL A 83 -7.052 3.032 -1.510 1.00 0.00 C ATOM 1223 O VAL A 83 -8.091 3.562 -1.158 1.00 0.00 O ATOM 1224 CB VAL A 83 -6.496 1.603 -3.538 1.00 0.00 C ATOM 1225 CG1 VAL A 83 -7.859 0.907 -3.370 1.00 0.00 C ATOM 1226 CG2 VAL A 83 -6.104 1.618 -5.030 1.00 0.00 C ATOM 0 H VAL A 83 -4.492 3.483 -2.625 1.00 0.00 H new ATOM 0 HA VAL A 83 -7.334 3.662 -3.500 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.737 1.058 -2.977 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.797 -0.112 -3.752 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.127 0.883 -2.314 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -8.619 1.457 -3.925 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -6.047 0.595 -5.401 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -6.854 2.169 -5.598 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -5.134 2.101 -5.146 1.00 0.00 H new ATOM 1236 N ASP A 84 -6.240 2.385 -0.714 1.00 0.00 N ATOM 1237 CA ASP A 84 -6.520 2.246 0.758 1.00 0.00 C ATOM 1238 C ASP A 84 -5.362 2.711 1.720 1.00 0.00 C ATOM 1239 O ASP A 84 -4.639 3.661 1.468 1.00 0.00 O ATOM 1240 CB ASP A 84 -6.900 0.760 0.926 1.00 0.00 C ATOM 1241 CG ASP A 84 -5.737 -0.210 1.023 1.00 0.00 C ATOM 1242 OD1 ASP A 84 -4.892 -0.197 0.151 1.00 0.00 O ATOM 1243 OD2 ASP A 84 -5.792 -0.922 2.001 1.00 0.00 O ATOM 0 H ASP A 84 -5.377 1.937 -1.023 1.00 0.00 H new ATOM 0 HA ASP A 84 -7.316 2.925 1.063 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -7.509 0.659 1.824 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -7.525 0.466 0.083 1.00 0.00 H new ATOM 1248 N GLN A 85 -5.228 2.010 2.825 1.00 0.00 N ATOM 1249 CA GLN A 85 -4.172 2.322 3.863 1.00 0.00 C ATOM 1250 C GLN A 85 -3.175 1.136 4.103 1.00 0.00 C ATOM 1251 O GLN A 85 -3.527 -0.018 3.953 1.00 0.00 O ATOM 1252 CB GLN A 85 -4.971 2.719 5.113 1.00 0.00 C ATOM 1253 CG GLN A 85 -4.083 3.610 6.043 1.00 0.00 C ATOM 1254 CD GLN A 85 -3.309 2.794 7.045 1.00 0.00 C ATOM 1255 OE1 GLN A 85 -2.147 2.999 7.289 1.00 0.00 O ATOM 1256 NE2 GLN A 85 -3.899 1.846 7.682 1.00 0.00 N ATOM 0 H GLN A 85 -5.819 1.213 3.061 1.00 0.00 H new ATOM 0 HA GLN A 85 -3.508 3.125 3.542 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -5.871 3.262 4.824 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -5.295 1.827 5.649 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -3.388 4.188 5.434 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -4.715 4.325 6.570 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -4.882 1.645 7.501 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -3.384 1.295 8.369 1.00 0.00 H new ATOM 1265 N CYS A 86 -1.956 1.432 4.507 1.00 0.00 N ATOM 1266 CA CYS A 86 -0.942 0.342 4.731 1.00 0.00 C ATOM 1267 C CYS A 86 -1.005 -0.456 6.044 1.00 0.00 C ATOM 1268 O CYS A 86 -0.008 -0.932 6.558 1.00 0.00 O ATOM 1269 CB CYS A 86 0.451 1.023 4.542 1.00 0.00 C ATOM 1270 SG CYS A 86 0.919 2.441 5.561 1.00 0.00 S ATOM 0 H CYS A 86 -1.620 2.378 4.691 1.00 0.00 H new ATOM 0 HA CYS A 86 -1.160 -0.447 4.012 1.00 0.00 H new ATOM 0 HB2 CYS A 86 1.209 0.254 4.691 1.00 0.00 H new ATOM 0 HB3 CYS A 86 0.518 1.338 3.501 1.00 0.00 H new ATOM 1275 N ALA A 87 -2.223 -0.596 6.506 1.00 0.00 N ATOM 1276 CA ALA A 87 -2.585 -1.328 7.764 1.00 0.00 C ATOM 1277 C ALA A 87 -1.482 -2.309 8.226 1.00 0.00 C ATOM 1278 O ALA A 87 -0.948 -2.219 9.313 1.00 0.00 O ATOM 1279 CB ALA A 87 -3.931 -2.031 7.453 1.00 0.00 C ATOM 0 H ALA A 87 -3.035 -0.205 6.028 1.00 0.00 H new ATOM 0 HA ALA A 87 -2.683 -0.645 8.608 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.261 -2.589 8.329 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.681 -1.283 7.195 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -3.799 -2.716 6.615 1.00 0.00 H new ATOM 1285 N ASN A 88 -1.204 -3.224 7.339 1.00 0.00 N ATOM 1286 CA ASN A 88 -0.168 -4.288 7.542 1.00 0.00 C ATOM 1287 C ASN A 88 0.625 -4.564 6.220 1.00 0.00 C ATOM 1288 O ASN A 88 0.863 -5.702 5.849 1.00 0.00 O ATOM 1289 CB ASN A 88 -0.937 -5.527 8.042 1.00 0.00 C ATOM 1290 CG ASN A 88 -2.038 -5.848 7.035 1.00 0.00 C ATOM 1291 OD1 ASN A 88 -3.013 -5.148 6.883 1.00 0.00 O ATOM 1292 ND2 ASN A 88 -1.952 -6.902 6.297 1.00 0.00 N ATOM 0 H ASN A 88 -1.675 -3.282 6.436 1.00 0.00 H new ATOM 0 HA ASN A 88 0.589 -3.989 8.267 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -0.261 -6.376 8.149 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -1.366 -5.336 9.026 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -2.687 -7.114 5.622 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -1.149 -7.524 6.388 1.00 0.00 H new ATOM 1299 N GLY A 89 1.008 -3.505 5.557 1.00 0.00 N ATOM 1300 CA GLY A 89 1.779 -3.612 4.259 1.00 0.00 C ATOM 1301 C GLY A 89 2.274 -2.229 3.836 1.00 0.00 C ATOM 1302 O GLY A 89 2.626 -1.456 4.704 1.00 0.00 O ATOM 0 H GLY A 89 0.821 -2.548 5.857 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.624 -4.289 4.382 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.143 -4.034 3.481 1.00 0.00 H new ATOM 1306 N GLY A 90 2.313 -1.948 2.546 1.00 0.00 N ATOM 1307 CA GLY A 90 2.788 -0.587 2.074 1.00 0.00 C ATOM 1308 C GLY A 90 1.988 0.171 0.984 1.00 0.00 C ATOM 1309 O GLY A 90 0.937 0.718 1.243 1.00 0.00 O ATOM 0 H GLY A 90 2.040 -2.592 1.803 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.840 0.061 2.949 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.807 -0.708 1.705 1.00 0.00 H new ATOM 1313 N LEU A 91 2.519 0.166 -0.206 1.00 0.00 N ATOM 1314 CA LEU A 91 1.867 0.869 -1.342 1.00 0.00 C ATOM 1315 C LEU A 91 1.350 -0.123 -2.402 1.00 0.00 C ATOM 1316 O LEU A 91 1.376 0.158 -3.585 1.00 0.00 O ATOM 1317 CB LEU A 91 2.926 1.858 -1.942 1.00 0.00 C ATOM 1318 CG LEU A 91 3.727 2.620 -0.831 1.00 0.00 C ATOM 1319 CD1 LEU A 91 5.115 1.918 -0.595 1.00 0.00 C ATOM 1320 CD2 LEU A 91 3.958 4.073 -1.277 1.00 0.00 C ATOM 0 H LEU A 91 3.393 -0.304 -0.442 1.00 0.00 H new ATOM 0 HA LEU A 91 0.990 1.417 -0.997 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.621 1.303 -2.572 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.422 2.581 -2.583 1.00 0.00 H new ATOM 0 HG LEU A 91 3.157 2.606 0.098 1.00 0.00 H new ATOM 0 HD11 LEU A 91 5.666 2.453 0.178 1.00 0.00 H new ATOM 0 HD12 LEU A 91 4.952 0.888 -0.278 1.00 0.00 H new ATOM 0 HD13 LEU A 91 5.689 1.926 -1.521 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.515 4.606 -0.506 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.526 4.082 -2.207 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.997 4.563 -1.434 1.00 0.00 H new ATOM 1332 N ASP A 92 0.896 -1.253 -1.938 1.00 0.00 N ATOM 1333 CA ASP A 92 0.348 -2.333 -2.822 1.00 0.00 C ATOM 1334 C ASP A 92 -0.851 -3.102 -2.247 1.00 0.00 C ATOM 1335 O ASP A 92 -1.000 -3.119 -1.036 1.00 0.00 O ATOM 1336 CB ASP A 92 1.465 -3.340 -3.101 1.00 0.00 C ATOM 1337 CG ASP A 92 2.364 -3.418 -1.888 1.00 0.00 C ATOM 1338 OD1 ASP A 92 1.870 -3.662 -0.795 1.00 0.00 O ATOM 1339 OD2 ASP A 92 3.525 -3.206 -2.157 1.00 0.00 O ATOM 0 H ASP A 92 0.880 -1.485 -0.945 1.00 0.00 H new ATOM 0 HA ASP A 92 -0.014 -1.830 -3.719 1.00 0.00 H new ATOM 0 HB2 ASP A 92 1.043 -4.320 -3.322 1.00 0.00 H new ATOM 0 HB3 ASP A 92 2.038 -3.035 -3.977 1.00 0.00 H new ATOM 1344 N LEU A 93 -1.690 -3.688 -3.088 1.00 0.00 N ATOM 1345 CA LEU A 93 -2.801 -4.452 -2.419 1.00 0.00 C ATOM 1346 C LEU A 93 -2.449 -5.970 -2.466 1.00 0.00 C ATOM 1347 O LEU A 93 -1.929 -6.495 -1.502 1.00 0.00 O ATOM 1348 CB LEU A 93 -4.095 -4.219 -3.155 1.00 0.00 C ATOM 1349 CG LEU A 93 -4.951 -3.087 -2.637 1.00 0.00 C ATOM 1350 CD1 LEU A 93 -4.168 -1.774 -2.514 1.00 0.00 C ATOM 1351 CD2 LEU A 93 -6.093 -2.992 -3.683 1.00 0.00 C ATOM 0 H LEU A 93 -1.663 -3.676 -4.108 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.914 -4.118 -1.387 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.865 -4.026 -4.203 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -4.681 -5.137 -3.121 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.319 -3.268 -1.627 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.827 -0.991 -2.138 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.335 -1.910 -1.824 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.784 -1.486 -3.493 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.779 -2.193 -3.401 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.670 -2.778 -4.665 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -6.633 -3.938 -3.719 1.00 0.00 H new ATOM 1363 N ASP A 94 -2.710 -6.631 -3.568 1.00 0.00 N ATOM 1364 CA ASP A 94 -2.416 -8.095 -3.695 1.00 0.00 C ATOM 1365 C ASP A 94 -1.048 -8.546 -4.208 1.00 0.00 C ATOM 1366 O ASP A 94 -0.101 -8.728 -3.480 1.00 0.00 O ATOM 1367 CB ASP A 94 -3.463 -8.738 -4.616 1.00 0.00 C ATOM 1368 CG ASP A 94 -4.641 -9.301 -3.909 1.00 0.00 C ATOM 1369 OD1 ASP A 94 -4.316 -10.081 -3.024 1.00 0.00 O ATOM 1370 OD2 ASP A 94 -5.705 -8.908 -4.353 1.00 0.00 O ATOM 0 H ASP A 94 -3.122 -6.210 -4.401 1.00 0.00 H new ATOM 0 HA ASP A 94 -2.436 -8.417 -2.654 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -3.807 -7.991 -5.331 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -2.985 -9.532 -5.190 1.00 0.00 H new ATOM 1375 N TRP A 95 -0.943 -8.725 -5.493 1.00 0.00 N ATOM 1376 CA TRP A 95 0.385 -9.177 -6.007 1.00 0.00 C ATOM 1377 C TRP A 95 1.327 -8.000 -6.201 1.00 0.00 C ATOM 1378 O TRP A 95 2.100 -8.031 -7.134 1.00 0.00 O ATOM 1379 CB TRP A 95 0.146 -9.949 -7.350 1.00 0.00 C ATOM 1380 CG TRP A 95 1.481 -10.432 -7.968 1.00 0.00 C ATOM 1381 CD1 TRP A 95 2.511 -10.983 -7.269 1.00 0.00 C ATOM 1382 CD2 TRP A 95 1.821 -10.377 -9.277 1.00 0.00 C ATOM 1383 NE1 TRP A 95 3.408 -11.226 -8.204 1.00 0.00 N ATOM 1384 CE2 TRP A 95 3.085 -10.896 -9.443 1.00 0.00 C ATOM 1385 CE3 TRP A 95 1.127 -9.912 -10.380 1.00 0.00 C ATOM 1386 CZ2 TRP A 95 3.651 -10.954 -10.700 1.00 0.00 C ATOM 1387 CZ3 TRP A 95 1.689 -9.968 -11.642 1.00 0.00 C ATOM 1388 CH2 TRP A 95 2.957 -10.491 -11.801 1.00 0.00 C ATOM 0 H TRP A 95 -1.679 -8.587 -6.185 1.00 0.00 H new ATOM 0 HA TRP A 95 0.862 -9.838 -5.283 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -0.504 -10.805 -7.169 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -0.371 -9.301 -8.057 1.00 0.00 H new ATOM 0 HD1 TRP A 95 2.577 -11.174 -6.208 1.00 0.00 H new ATOM 0 HE1 TRP A 95 4.309 -11.649 -7.982 1.00 0.00 H new ATOM 0 HE3 TRP A 95 0.136 -9.501 -10.254 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 4.643 -11.364 -10.824 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 1.140 -9.605 -12.498 1.00 0.00 H new ATOM 0 HH2 TRP A 95 3.405 -10.538 -12.783 1.00 0.00 H new ATOM 1399 N ASP A 96 1.262 -7.014 -5.342 1.00 0.00 N ATOM 1400 CA ASP A 96 2.146 -5.829 -5.459 1.00 0.00 C ATOM 1401 C ASP A 96 2.809 -5.689 -6.848 1.00 0.00 C ATOM 1402 O ASP A 96 3.975 -5.935 -7.129 1.00 0.00 O ATOM 1403 CB ASP A 96 3.148 -5.982 -4.341 1.00 0.00 C ATOM 1404 CG ASP A 96 4.285 -4.986 -4.491 1.00 0.00 C ATOM 1405 OD1 ASP A 96 4.178 -4.012 -5.240 1.00 0.00 O ATOM 1406 OD2 ASP A 96 5.219 -5.323 -3.808 1.00 0.00 O ATOM 0 H ASP A 96 0.618 -6.986 -4.551 1.00 0.00 H new ATOM 0 HA ASP A 96 1.578 -4.903 -5.369 1.00 0.00 H new ATOM 0 HB2 ASP A 96 2.653 -5.833 -3.381 1.00 0.00 H new ATOM 0 HB3 ASP A 96 3.546 -6.997 -4.340 1.00 0.00 H new ATOM 1411 N THR A 97 1.941 -5.279 -7.724 1.00 0.00 N ATOM 1412 CA THR A 97 2.428 -5.086 -9.123 1.00 0.00 C ATOM 1413 C THR A 97 3.579 -4.055 -9.159 1.00 0.00 C ATOM 1414 O THR A 97 4.058 -3.784 -10.241 1.00 0.00 O ATOM 1415 CB THR A 97 1.313 -4.550 -10.119 1.00 0.00 C ATOM 1416 OG1 THR A 97 1.274 -3.132 -9.994 1.00 0.00 O ATOM 1417 CG2 THR A 97 -0.123 -4.936 -9.771 1.00 0.00 C ATOM 0 H THR A 97 0.957 -5.075 -7.550 1.00 0.00 H new ATOM 0 HA THR A 97 2.749 -6.076 -9.447 1.00 0.00 H new ATOM 0 HB THR A 97 1.586 -4.967 -11.088 1.00 0.00 H new ATOM 0 HG1 THR A 97 1.479 -2.722 -10.860 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.802 -4.519 -10.515 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.216 -6.022 -9.763 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.377 -4.543 -8.787 1.00 0.00 H new ATOM 1425 N VAL A 98 3.995 -3.497 -8.043 1.00 0.00 N ATOM 1426 CA VAL A 98 5.105 -2.500 -8.052 1.00 0.00 C ATOM 1427 C VAL A 98 6.482 -3.187 -7.879 1.00 0.00 C ATOM 1428 O VAL A 98 7.313 -3.194 -8.772 1.00 0.00 O ATOM 1429 CB VAL A 98 4.854 -1.479 -6.914 1.00 0.00 C ATOM 1430 CG1 VAL A 98 5.800 -0.289 -7.090 1.00 0.00 C ATOM 1431 CG2 VAL A 98 3.378 -0.976 -6.949 1.00 0.00 C ATOM 0 H VAL A 98 3.606 -3.695 -7.121 1.00 0.00 H new ATOM 0 HA VAL A 98 5.124 -1.989 -9.014 1.00 0.00 H new ATOM 0 HB VAL A 98 5.037 -1.964 -5.955 1.00 0.00 H new ATOM 0 HG11 VAL A 98 5.628 0.433 -6.292 1.00 0.00 H new ATOM 0 HG12 VAL A 98 6.833 -0.636 -7.049 1.00 0.00 H new ATOM 0 HG13 VAL A 98 5.614 0.184 -8.054 1.00 0.00 H new ATOM 0 HG21 VAL A 98 3.219 -0.260 -6.143 1.00 0.00 H new ATOM 0 HG22 VAL A 98 3.180 -0.495 -7.907 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.702 -1.822 -6.822 1.00 0.00 H new ATOM 1441 N PHE A 99 6.672 -3.770 -6.718 1.00 0.00 N ATOM 1442 CA PHE A 99 7.962 -4.469 -6.403 1.00 0.00 C ATOM 1443 C PHE A 99 8.287 -5.555 -7.456 1.00 0.00 C ATOM 1444 O PHE A 99 9.309 -5.486 -8.103 1.00 0.00 O ATOM 1445 CB PHE A 99 7.759 -5.006 -4.983 1.00 0.00 C ATOM 1446 CG PHE A 99 9.019 -5.074 -4.133 1.00 0.00 C ATOM 1447 CD1 PHE A 99 9.624 -3.907 -3.721 1.00 0.00 C ATOM 1448 CD2 PHE A 99 9.538 -6.282 -3.741 1.00 0.00 C ATOM 1449 CE1 PHE A 99 10.741 -3.941 -2.915 1.00 0.00 C ATOM 1450 CE2 PHE A 99 10.658 -6.321 -2.936 1.00 0.00 C ATOM 1451 CZ PHE A 99 11.256 -5.155 -2.522 1.00 0.00 C ATOM 0 H PHE A 99 5.982 -3.792 -5.967 1.00 0.00 H new ATOM 0 HA PHE A 99 8.833 -3.815 -6.444 1.00 0.00 H new ATOM 0 HB2 PHE A 99 7.029 -4.376 -4.474 1.00 0.00 H new ATOM 0 HB3 PHE A 99 7.328 -6.005 -5.047 1.00 0.00 H new ATOM 0 HD1 PHE A 99 9.219 -2.956 -4.033 1.00 0.00 H new ATOM 0 HD2 PHE A 99 9.071 -7.201 -4.062 1.00 0.00 H new ATOM 0 HE1 PHE A 99 11.209 -3.022 -2.594 1.00 0.00 H new ATOM 0 HE2 PHE A 99 11.067 -7.273 -2.630 1.00 0.00 H new ATOM 0 HZ PHE A 99 12.130 -5.191 -1.888 1.00 0.00 H new ATOM 1461 N THR A 100 7.413 -6.520 -7.659 1.00 0.00 N ATOM 1462 CA THR A 100 7.688 -7.627 -8.688 1.00 0.00 C ATOM 1463 C THR A 100 8.003 -7.122 -10.084 1.00 0.00 C ATOM 1464 O THR A 100 8.273 -7.915 -10.972 1.00 0.00 O ATOM 1465 CB THR A 100 6.470 -8.646 -8.880 1.00 0.00 C ATOM 1466 OG1 THR A 100 5.986 -8.657 -10.238 1.00 0.00 O ATOM 1467 CG2 THR A 100 5.244 -8.122 -8.244 1.00 0.00 C ATOM 0 H THR A 100 6.523 -6.603 -7.169 1.00 0.00 H new ATOM 0 HA THR A 100 8.556 -8.120 -8.250 1.00 0.00 H new ATOM 0 HB THR A 100 6.859 -9.592 -8.504 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.346 -9.391 -10.351 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.428 -8.831 -8.387 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.419 -7.981 -7.178 1.00 0.00 H new ATOM 0 HG23 THR A 100 4.978 -7.167 -8.698 1.00 0.00 H new ATOM 1475 N LYS A 101 7.950 -5.835 -10.273 1.00 0.00 N ATOM 1476 CA LYS A 101 8.241 -5.248 -11.596 1.00 0.00 C ATOM 1477 C LYS A 101 9.562 -4.438 -11.493 1.00 0.00 C ATOM 1478 O LYS A 101 10.431 -4.620 -12.323 1.00 0.00 O ATOM 1479 CB LYS A 101 7.029 -4.372 -11.973 1.00 0.00 C ATOM 1480 CG LYS A 101 5.697 -5.188 -11.982 1.00 0.00 C ATOM 1481 CD LYS A 101 5.712 -6.384 -12.986 1.00 0.00 C ATOM 1482 CE LYS A 101 4.280 -6.942 -13.120 1.00 0.00 C ATOM 1483 NZ LYS A 101 3.811 -7.552 -11.816 1.00 0.00 N ATOM 0 H LYS A 101 7.712 -5.157 -9.549 1.00 0.00 H new ATOM 0 HA LYS A 101 8.384 -5.998 -12.374 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.944 -3.547 -11.266 1.00 0.00 H new ATOM 0 HB3 LYS A 101 7.192 -3.933 -12.957 1.00 0.00 H new ATOM 0 HG2 LYS A 101 5.505 -5.568 -10.978 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.872 -4.521 -12.234 1.00 0.00 H new ATOM 0 HD2 LYS A 101 6.081 -6.056 -13.958 1.00 0.00 H new ATOM 0 HD3 LYS A 101 6.389 -7.163 -12.634 1.00 0.00 H new ATOM 0 HE2 LYS A 101 3.601 -6.143 -13.417 1.00 0.00 H new ATOM 0 HE3 LYS A 101 4.251 -7.694 -13.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 3.223 -8.387 -12.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 4.635 -7.836 -11.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 3.252 -6.853 -11.287 1.00 0.00 H new ATOM 1497 N ILE A 102 9.690 -3.585 -10.501 1.00 0.00 N ATOM 1498 CA ILE A 102 10.955 -2.774 -10.353 1.00 0.00 C ATOM 1499 C ILE A 102 12.147 -3.592 -9.775 1.00 0.00 C ATOM 1500 O ILE A 102 13.278 -3.137 -9.859 1.00 0.00 O ATOM 1501 CB ILE A 102 10.640 -1.542 -9.434 1.00 0.00 C ATOM 1502 CG1 ILE A 102 10.338 -1.988 -7.988 1.00 0.00 C ATOM 1503 CG2 ILE A 102 9.412 -0.766 -9.980 1.00 0.00 C ATOM 1504 CD1 ILE A 102 11.633 -2.012 -7.142 1.00 0.00 C ATOM 0 H ILE A 102 8.980 -3.413 -9.789 1.00 0.00 H new ATOM 0 HA ILE A 102 11.271 -2.454 -11.346 1.00 0.00 H new ATOM 0 HB ILE A 102 11.520 -0.899 -9.433 1.00 0.00 H new ATOM 0 HG12 ILE A 102 9.615 -1.309 -7.536 1.00 0.00 H new ATOM 0 HG13 ILE A 102 9.884 -2.979 -7.995 1.00 0.00 H new ATOM 0 HG21 ILE A 102 9.204 0.087 -9.334 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.624 -0.413 -10.989 1.00 0.00 H new ATOM 0 HG23 ILE A 102 8.545 -1.426 -10.001 1.00 0.00 H new ATOM 0 HD11 ILE A 102 11.398 -2.329 -6.126 1.00 0.00 H new ATOM 0 HD12 ILE A 102 12.344 -2.710 -7.585 1.00 0.00 H new ATOM 0 HD13 ILE A 102 12.071 -1.014 -7.119 1.00 0.00 H new ATOM 1516 N ASP A 103 11.863 -4.740 -9.193 1.00 0.00 N ATOM 1517 CA ASP A 103 12.927 -5.624 -8.606 1.00 0.00 C ATOM 1518 C ASP A 103 13.671 -6.472 -9.655 1.00 0.00 C ATOM 1519 O ASP A 103 13.220 -7.534 -10.036 1.00 0.00 O ATOM 1520 CB ASP A 103 12.320 -6.621 -7.577 1.00 0.00 C ATOM 1521 CG ASP A 103 12.021 -6.084 -6.186 1.00 0.00 C ATOM 1522 OD1 ASP A 103 11.446 -5.020 -6.190 1.00 0.00 O ATOM 1523 OD2 ASP A 103 12.384 -6.780 -5.248 1.00 0.00 O ATOM 0 H ASP A 103 10.916 -5.108 -9.099 1.00 0.00 H new ATOM 0 HA ASP A 103 13.630 -4.935 -8.137 1.00 0.00 H new ATOM 0 HB2 ASP A 103 11.393 -7.015 -7.994 1.00 0.00 H new ATOM 0 HB3 ASP A 103 13.006 -7.462 -7.475 1.00 0.00 H new ATOM 1528 N THR A 104 14.796 -6.002 -10.116 1.00 0.00 N ATOM 1529 CA THR A 104 15.569 -6.802 -11.136 1.00 0.00 C ATOM 1530 C THR A 104 15.903 -8.190 -10.574 1.00 0.00 C ATOM 1531 O THR A 104 15.781 -9.196 -11.239 1.00 0.00 O ATOM 1532 CB THR A 104 16.897 -6.105 -11.493 1.00 0.00 C ATOM 1533 OG1 THR A 104 17.509 -5.788 -10.245 1.00 0.00 O ATOM 1534 CG2 THR A 104 16.647 -4.749 -12.103 1.00 0.00 C ATOM 0 H THR A 104 15.217 -5.114 -9.843 1.00 0.00 H new ATOM 0 HA THR A 104 14.946 -6.887 -12.026 1.00 0.00 H new ATOM 0 HB THR A 104 17.469 -6.745 -12.165 1.00 0.00 H new ATOM 0 HG1 THR A 104 18.366 -5.340 -10.405 1.00 0.00 H new ATOM 0 HG21 THR A 104 17.600 -4.278 -12.346 1.00 0.00 H new ATOM 0 HG22 THR A 104 16.056 -4.862 -13.012 1.00 0.00 H new ATOM 0 HG23 THR A 104 16.104 -4.125 -11.393 1.00 0.00 H new ATOM 1542 N ASN A 105 16.335 -8.190 -9.348 1.00 0.00 N ATOM 1543 CA ASN A 105 16.706 -9.466 -8.650 1.00 0.00 C ATOM 1544 C ASN A 105 15.973 -9.605 -7.290 1.00 0.00 C ATOM 1545 O ASN A 105 14.811 -9.944 -7.269 1.00 0.00 O ATOM 1546 CB ASN A 105 18.281 -9.412 -8.570 1.00 0.00 C ATOM 1547 CG ASN A 105 18.752 -7.961 -8.454 1.00 0.00 C ATOM 1548 OD1 ASN A 105 19.662 -7.507 -9.105 1.00 0.00 O ATOM 1549 ND2 ASN A 105 18.174 -7.141 -7.642 1.00 0.00 N ATOM 0 H ASN A 105 16.452 -7.349 -8.783 1.00 0.00 H new ATOM 0 HA ASN A 105 16.390 -10.368 -9.175 1.00 0.00 H new ATOM 0 HB2 ASN A 105 18.629 -9.985 -7.711 1.00 0.00 H new ATOM 0 HB3 ASN A 105 18.714 -9.873 -9.458 1.00 0.00 H new ATOM 0 HD21 ASN A 105 18.493 -6.174 -7.580 1.00 0.00 H new ATOM 0 HD22 ASN A 105 17.398 -7.460 -7.062 1.00 0.00 H new ATOM 1556 N GLY A 106 16.623 -9.357 -6.186 1.00 0.00 N ATOM 1557 CA GLY A 106 15.883 -9.493 -4.874 1.00 0.00 C ATOM 1558 C GLY A 106 16.629 -8.940 -3.675 1.00 0.00 C ATOM 1559 O GLY A 106 16.496 -9.435 -2.576 1.00 0.00 O ATOM 0 H GLY A 106 17.601 -9.075 -6.121 1.00 0.00 H new ATOM 0 HA2 GLY A 106 14.924 -8.982 -4.957 1.00 0.00 H new ATOM 0 HA3 GLY A 106 15.669 -10.547 -4.699 1.00 0.00 H new ATOM 1563 N ILE A 107 17.389 -7.916 -3.938 1.00 0.00 N ATOM 1564 CA ILE A 107 18.216 -7.216 -2.905 1.00 0.00 C ATOM 1565 C ILE A 107 17.522 -7.145 -1.521 1.00 0.00 C ATOM 1566 O ILE A 107 17.950 -7.744 -0.555 1.00 0.00 O ATOM 1567 CB ILE A 107 18.525 -5.802 -3.486 1.00 0.00 C ATOM 1568 CG1 ILE A 107 19.014 -5.877 -4.969 1.00 0.00 C ATOM 1569 CG2 ILE A 107 19.594 -5.116 -2.614 1.00 0.00 C ATOM 1570 CD1 ILE A 107 20.074 -6.997 -5.195 1.00 0.00 C ATOM 0 H ILE A 107 17.477 -7.514 -4.871 1.00 0.00 H new ATOM 0 HA ILE A 107 19.134 -7.771 -2.711 1.00 0.00 H new ATOM 0 HB ILE A 107 17.603 -5.221 -3.474 1.00 0.00 H new ATOM 0 HG12 ILE A 107 18.159 -6.054 -5.621 1.00 0.00 H new ATOM 0 HG13 ILE A 107 19.440 -4.916 -5.256 1.00 0.00 H new ATOM 0 HG21 ILE A 107 19.813 -4.127 -3.017 1.00 0.00 H new ATOM 0 HG22 ILE A 107 19.223 -5.018 -1.594 1.00 0.00 H new ATOM 0 HG23 ILE A 107 20.503 -5.717 -2.613 1.00 0.00 H new ATOM 0 HD11 ILE A 107 20.378 -7.004 -6.242 1.00 0.00 H new ATOM 0 HD12 ILE A 107 20.943 -6.807 -4.566 1.00 0.00 H new ATOM 0 HD13 ILE A 107 19.643 -7.964 -4.936 1.00 0.00 H new ATOM 1582 N GLY A 108 16.445 -6.399 -1.512 1.00 0.00 N ATOM 1583 CA GLY A 108 15.604 -6.178 -0.287 1.00 0.00 C ATOM 1584 C GLY A 108 14.500 -7.233 -0.169 1.00 0.00 C ATOM 1585 O GLY A 108 13.627 -7.119 0.664 1.00 0.00 O ATOM 0 H GLY A 108 16.098 -5.912 -2.339 1.00 0.00 H new ATOM 0 HA2 GLY A 108 16.236 -6.210 0.601 1.00 0.00 H new ATOM 0 HA3 GLY A 108 15.157 -5.184 -0.325 1.00 0.00 H new ATOM 1589 N TYR A 109 14.572 -8.245 -0.984 1.00 0.00 N ATOM 1590 CA TYR A 109 13.537 -9.320 -0.929 1.00 0.00 C ATOM 1591 C TYR A 109 13.911 -10.158 0.302 1.00 0.00 C ATOM 1592 O TYR A 109 13.076 -10.555 1.091 1.00 0.00 O ATOM 1593 CB TYR A 109 13.630 -10.112 -2.238 1.00 0.00 C ATOM 1594 CG TYR A 109 12.403 -11.009 -2.368 1.00 0.00 C ATOM 1595 CD1 TYR A 109 12.418 -12.281 -1.845 1.00 0.00 C ATOM 1596 CD2 TYR A 109 11.270 -10.557 -3.009 1.00 0.00 C ATOM 1597 CE1 TYR A 109 11.311 -13.094 -1.962 1.00 0.00 C ATOM 1598 CE2 TYR A 109 10.164 -11.369 -3.127 1.00 0.00 C ATOM 1599 CZ TYR A 109 10.178 -12.640 -2.607 1.00 0.00 C ATOM 1600 OH TYR A 109 9.077 -13.457 -2.732 1.00 0.00 O ATOM 0 H TYR A 109 15.300 -8.378 -1.686 1.00 0.00 H new ATOM 0 HA TYR A 109 12.510 -8.967 -0.837 1.00 0.00 H new ATOM 0 HB2 TYR A 109 13.689 -9.430 -3.086 1.00 0.00 H new ATOM 0 HB3 TYR A 109 14.539 -10.714 -2.249 1.00 0.00 H new ATOM 0 HD1 TYR A 109 13.301 -12.644 -1.340 1.00 0.00 H new ATOM 0 HD2 TYR A 109 11.249 -9.559 -3.422 1.00 0.00 H new ATOM 0 HE1 TYR A 109 11.330 -14.091 -1.547 1.00 0.00 H new ATOM 0 HE2 TYR A 109 9.281 -11.004 -3.631 1.00 0.00 H new ATOM 0 HH TYR A 109 8.368 -12.980 -3.211 1.00 0.00 H new ATOM 1610 N GLN A 110 15.193 -10.383 0.398 1.00 0.00 N ATOM 1611 CA GLN A 110 15.791 -11.167 1.524 1.00 0.00 C ATOM 1612 C GLN A 110 15.523 -10.501 2.909 1.00 0.00 C ATOM 1613 O GLN A 110 15.427 -11.176 3.916 1.00 0.00 O ATOM 1614 CB GLN A 110 17.307 -11.281 1.245 1.00 0.00 C ATOM 1615 CG GLN A 110 17.590 -11.937 -0.137 1.00 0.00 C ATOM 1616 CD GLN A 110 16.872 -13.264 -0.321 1.00 0.00 C ATOM 1617 OE1 GLN A 110 16.358 -13.572 -1.370 1.00 0.00 O ATOM 1618 NE2 GLN A 110 16.802 -14.101 0.660 1.00 0.00 N ATOM 0 H GLN A 110 15.876 -10.045 -0.280 1.00 0.00 H new ATOM 0 HA GLN A 110 15.330 -12.154 1.575 1.00 0.00 H new ATOM 0 HB2 GLN A 110 17.758 -10.289 1.276 1.00 0.00 H new ATOM 0 HB3 GLN A 110 17.778 -11.871 2.031 1.00 0.00 H new ATOM 0 HG2 GLN A 110 17.285 -11.252 -0.928 1.00 0.00 H new ATOM 0 HG3 GLN A 110 18.663 -12.092 -0.247 1.00 0.00 H new ATOM 0 HE21 GLN A 110 17.226 -13.870 1.559 1.00 0.00 H new ATOM 0 HE22 GLN A 110 16.323 -14.993 0.536 1.00 0.00 H new ATOM 1627 N GLN A 111 15.420 -9.195 2.915 1.00 0.00 N ATOM 1628 CA GLN A 111 15.161 -8.450 4.200 1.00 0.00 C ATOM 1629 C GLN A 111 13.675 -8.077 4.333 1.00 0.00 C ATOM 1630 O GLN A 111 13.149 -8.038 5.425 1.00 0.00 O ATOM 1631 CB GLN A 111 16.024 -7.149 4.247 1.00 0.00 C ATOM 1632 CG GLN A 111 17.546 -7.486 4.396 1.00 0.00 C ATOM 1633 CD GLN A 111 18.087 -8.128 3.130 1.00 0.00 C ATOM 1634 OE1 GLN A 111 18.421 -9.288 3.070 1.00 0.00 O ATOM 1635 NE2 GLN A 111 18.176 -7.383 2.080 1.00 0.00 N ATOM 0 H GLN A 111 15.503 -8.606 2.087 1.00 0.00 H new ATOM 0 HA GLN A 111 15.433 -9.104 5.028 1.00 0.00 H new ATOM 0 HB2 GLN A 111 15.864 -6.570 3.337 1.00 0.00 H new ATOM 0 HB3 GLN A 111 15.703 -6.526 5.082 1.00 0.00 H new ATOM 0 HG2 GLN A 111 18.104 -6.575 4.614 1.00 0.00 H new ATOM 0 HG3 GLN A 111 17.692 -8.159 5.241 1.00 0.00 H new ATOM 0 HE21 GLN A 111 17.896 -6.403 2.125 1.00 0.00 H new ATOM 0 HE22 GLN A 111 18.527 -7.774 1.206 1.00 0.00 H new ATOM 1644 N GLY A 112 13.035 -7.804 3.228 1.00 0.00 N ATOM 1645 CA GLY A 112 11.582 -7.427 3.228 1.00 0.00 C ATOM 1646 C GLY A 112 11.332 -6.077 2.519 1.00 0.00 C ATOM 1647 O GLY A 112 10.288 -5.931 1.917 1.00 0.00 O ATOM 0 H GLY A 112 13.464 -7.826 2.303 1.00 0.00 H new ATOM 0 HA2 GLY A 112 11.005 -8.208 2.733 1.00 0.00 H new ATOM 0 HA3 GLY A 112 11.223 -7.368 4.256 1.00 0.00 H new ATOM 1651 N HIS A 113 12.250 -5.137 2.611 1.00 0.00 N ATOM 1652 CA HIS A 113 12.082 -3.792 1.942 1.00 0.00 C ATOM 1653 C HIS A 113 13.270 -3.259 1.104 1.00 0.00 C ATOM 1654 O HIS A 113 14.416 -3.579 1.350 1.00 0.00 O ATOM 1655 CB HIS A 113 11.734 -2.741 3.059 1.00 0.00 C ATOM 1656 CG HIS A 113 12.715 -1.549 3.237 1.00 0.00 C ATOM 1657 ND1 HIS A 113 12.985 -0.570 2.430 1.00 0.00 N ATOM 1658 CD2 HIS A 113 13.509 -1.290 4.331 1.00 0.00 C ATOM 1659 CE1 HIS A 113 13.859 0.219 2.977 1.00 0.00 C ATOM 1660 NE2 HIS A 113 14.215 -0.193 4.165 1.00 0.00 N ATOM 0 H HIS A 113 13.123 -5.243 3.128 1.00 0.00 H new ATOM 0 HA HIS A 113 11.292 -3.940 1.206 1.00 0.00 H new ATOM 0 HB2 HIS A 113 10.744 -2.336 2.847 1.00 0.00 H new ATOM 0 HB3 HIS A 113 11.665 -3.268 4.011 1.00 0.00 H new ATOM 0 HD1 HIS A 113 12.573 -0.440 1.506 1.00 0.00 H new ATOM 0 HD2 HIS A 113 13.547 -1.910 5.215 1.00 0.00 H new ATOM 0 HE1 HIS A 113 14.246 1.110 2.506 1.00 0.00 H new ATOM 1668 N LEU A 114 12.966 -2.445 0.132 1.00 0.00 N ATOM 1669 CA LEU A 114 14.032 -1.840 -0.745 1.00 0.00 C ATOM 1670 C LEU A 114 13.837 -0.313 -0.695 1.00 0.00 C ATOM 1671 O LEU A 114 12.838 0.148 -0.167 1.00 0.00 O ATOM 1672 CB LEU A 114 13.896 -2.348 -2.236 1.00 0.00 C ATOM 1673 CG LEU A 114 15.028 -1.748 -3.167 1.00 0.00 C ATOM 1674 CD1 LEU A 114 16.441 -2.152 -2.679 1.00 0.00 C ATOM 1675 CD2 LEU A 114 14.844 -2.280 -4.587 1.00 0.00 C ATOM 0 H LEU A 114 12.014 -2.164 -0.102 1.00 0.00 H new ATOM 0 HA LEU A 114 15.022 -2.129 -0.391 1.00 0.00 H new ATOM 0 HB2 LEU A 114 13.948 -3.437 -2.255 1.00 0.00 H new ATOM 0 HB3 LEU A 114 12.918 -2.069 -2.627 1.00 0.00 H new ATOM 0 HG LEU A 114 14.943 -0.662 -3.138 1.00 0.00 H new ATOM 0 HD11 LEU A 114 17.192 -1.722 -3.342 1.00 0.00 H new ATOM 0 HD12 LEU A 114 16.596 -1.780 -1.666 1.00 0.00 H new ATOM 0 HD13 LEU A 114 16.531 -3.238 -2.685 1.00 0.00 H new ATOM 0 HD21 LEU A 114 15.621 -1.870 -5.233 1.00 0.00 H new ATOM 0 HD22 LEU A 114 14.915 -3.368 -4.580 1.00 0.00 H new ATOM 0 HD23 LEU A 114 13.865 -1.982 -4.963 1.00 0.00 H new ATOM 1687 N ASN A 115 14.787 0.404 -1.242 1.00 0.00 N ATOM 1688 CA ASN A 115 14.742 1.901 -1.275 1.00 0.00 C ATOM 1689 C ASN A 115 14.382 2.390 -2.718 1.00 0.00 C ATOM 1690 O ASN A 115 15.020 2.077 -3.717 1.00 0.00 O ATOM 1691 CB ASN A 115 16.134 2.405 -0.808 1.00 0.00 C ATOM 1692 CG ASN A 115 16.130 3.921 -0.698 1.00 0.00 C ATOM 1693 OD1 ASN A 115 15.282 4.525 -0.084 1.00 0.00 O ATOM 1694 ND2 ASN A 115 17.061 4.598 -1.283 1.00 0.00 N ATOM 0 H ASN A 115 15.616 0.003 -1.680 1.00 0.00 H new ATOM 0 HA ASN A 115 13.973 2.301 -0.614 1.00 0.00 H new ATOM 0 HB2 ASN A 115 16.385 1.963 0.156 1.00 0.00 H new ATOM 0 HB3 ASN A 115 16.901 2.086 -1.514 1.00 0.00 H new ATOM 0 HD21 ASN A 115 17.068 5.616 -1.220 1.00 0.00 H new ATOM 0 HD22 ASN A 115 17.790 4.115 -1.808 1.00 0.00 H new ATOM 1701 N VAL A 116 13.320 3.161 -2.711 1.00 0.00 N ATOM 1702 CA VAL A 116 12.737 3.772 -3.963 1.00 0.00 C ATOM 1703 C VAL A 116 12.184 5.213 -3.732 1.00 0.00 C ATOM 1704 O VAL A 116 12.223 5.708 -2.625 1.00 0.00 O ATOM 1705 CB VAL A 116 11.558 2.860 -4.474 1.00 0.00 C ATOM 1706 CG1 VAL A 116 11.861 1.330 -4.372 1.00 0.00 C ATOM 1707 CG2 VAL A 116 10.267 3.131 -3.647 1.00 0.00 C ATOM 0 H VAL A 116 12.811 3.404 -1.861 1.00 0.00 H new ATOM 0 HA VAL A 116 13.541 3.839 -4.696 1.00 0.00 H new ATOM 0 HB VAL A 116 11.429 3.118 -5.525 1.00 0.00 H new ATOM 0 HG11 VAL A 116 11.006 0.764 -4.741 1.00 0.00 H new ATOM 0 HG12 VAL A 116 12.739 1.092 -4.972 1.00 0.00 H new ATOM 0 HG13 VAL A 116 12.050 1.065 -3.332 1.00 0.00 H new ATOM 0 HG21 VAL A 116 9.461 2.494 -4.011 1.00 0.00 H new ATOM 0 HG22 VAL A 116 10.456 2.912 -2.596 1.00 0.00 H new ATOM 0 HG23 VAL A 116 9.979 4.177 -3.754 1.00 0.00 H new ATOM 1717 N ASN A 117 11.690 5.825 -4.789 1.00 0.00 N ATOM 1718 CA ASN A 117 11.089 7.213 -4.742 1.00 0.00 C ATOM 1719 C ASN A 117 9.640 7.167 -5.316 1.00 0.00 C ATOM 1720 O ASN A 117 9.420 6.490 -6.314 1.00 0.00 O ATOM 1721 CB ASN A 117 11.877 8.182 -5.618 1.00 0.00 C ATOM 1722 CG ASN A 117 13.318 8.087 -5.262 1.00 0.00 C ATOM 1723 OD1 ASN A 117 13.829 8.731 -4.378 1.00 0.00 O ATOM 1724 ND2 ASN A 117 13.999 7.249 -5.961 1.00 0.00 N ATOM 0 H ASN A 117 11.677 5.406 -5.719 1.00 0.00 H new ATOM 0 HA ASN A 117 11.106 7.545 -3.704 1.00 0.00 H new ATOM 0 HB2 ASN A 117 11.732 7.942 -6.671 1.00 0.00 H new ATOM 0 HB3 ASN A 117 11.518 9.201 -5.471 1.00 0.00 H new ATOM 0 HD21 ASN A 117 14.993 7.117 -5.773 1.00 0.00 H new ATOM 0 HD22 ASN A 117 13.545 6.716 -6.703 1.00 0.00 H new ATOM 1731 N TYR A 118 8.735 7.885 -4.685 1.00 0.00 N ATOM 1732 CA TYR A 118 7.317 7.895 -5.184 1.00 0.00 C ATOM 1733 C TYR A 118 6.782 9.332 -5.320 1.00 0.00 C ATOM 1734 O TYR A 118 6.907 10.161 -4.434 1.00 0.00 O ATOM 1735 CB TYR A 118 6.417 7.050 -4.211 1.00 0.00 C ATOM 1736 CG TYR A 118 6.011 7.658 -2.837 1.00 0.00 C ATOM 1737 CD1 TYR A 118 5.111 8.713 -2.716 1.00 0.00 C ATOM 1738 CD2 TYR A 118 6.536 7.120 -1.678 1.00 0.00 C ATOM 1739 CE1 TYR A 118 4.765 9.190 -1.454 1.00 0.00 C ATOM 1740 CE2 TYR A 118 6.184 7.605 -0.431 1.00 0.00 C ATOM 1741 CZ TYR A 118 5.301 8.638 -0.314 1.00 0.00 C ATOM 1742 OH TYR A 118 4.962 9.105 0.931 1.00 0.00 O ATOM 0 H TYR A 118 8.912 8.456 -3.859 1.00 0.00 H new ATOM 0 HA TYR A 118 7.290 7.447 -6.177 1.00 0.00 H new ATOM 0 HB2 TYR A 118 5.500 6.801 -4.744 1.00 0.00 H new ATOM 0 HB3 TYR A 118 6.936 6.112 -4.015 1.00 0.00 H new ATOM 0 HD1 TYR A 118 4.681 9.161 -3.600 1.00 0.00 H new ATOM 0 HD2 TYR A 118 7.238 6.302 -1.747 1.00 0.00 H new ATOM 0 HE1 TYR A 118 4.064 10.007 -1.369 1.00 0.00 H new ATOM 0 HE2 TYR A 118 6.612 7.162 0.456 1.00 0.00 H new ATOM 0 HH TYR A 118 4.208 9.726 0.853 1.00 0.00 H new ATOM 1752 N GLN A 119 6.201 9.611 -6.453 1.00 0.00 N ATOM 1753 CA GLN A 119 5.644 10.994 -6.680 1.00 0.00 C ATOM 1754 C GLN A 119 4.146 10.943 -7.068 1.00 0.00 C ATOM 1755 O GLN A 119 3.766 10.070 -7.823 1.00 0.00 O ATOM 1756 CB GLN A 119 6.489 11.706 -7.830 1.00 0.00 C ATOM 1757 CG GLN A 119 7.843 10.973 -8.246 1.00 0.00 C ATOM 1758 CD GLN A 119 8.901 10.847 -7.134 1.00 0.00 C ATOM 1759 OE1 GLN A 119 9.949 10.268 -7.327 1.00 0.00 O ATOM 1760 NE2 GLN A 119 8.709 11.349 -5.960 1.00 0.00 N ATOM 0 H GLN A 119 6.084 8.958 -7.228 1.00 0.00 H new ATOM 0 HA GLN A 119 5.721 11.562 -5.753 1.00 0.00 H new ATOM 0 HB2 GLN A 119 5.859 11.797 -8.715 1.00 0.00 H new ATOM 0 HB3 GLN A 119 6.730 12.718 -7.505 1.00 0.00 H new ATOM 0 HG2 GLN A 119 7.598 9.973 -8.605 1.00 0.00 H new ATOM 0 HG3 GLN A 119 8.285 11.513 -9.083 1.00 0.00 H new ATOM 0 HE21 GLN A 119 7.842 11.845 -5.753 1.00 0.00 H new ATOM 0 HE22 GLN A 119 9.424 11.250 -5.240 1.00 0.00 H new ATOM 1769 N PHE A 120 3.320 11.841 -6.573 1.00 0.00 N ATOM 1770 CA PHE A 120 1.873 11.762 -6.981 1.00 0.00 C ATOM 1771 C PHE A 120 1.793 12.113 -8.496 1.00 0.00 C ATOM 1772 O PHE A 120 2.481 12.990 -8.982 1.00 0.00 O ATOM 1773 CB PHE A 120 1.035 12.771 -6.161 1.00 0.00 C ATOM 1774 CG PHE A 120 0.824 12.300 -4.710 1.00 0.00 C ATOM 1775 CD1 PHE A 120 1.857 12.276 -3.789 1.00 0.00 C ATOM 1776 CD2 PHE A 120 -0.431 11.886 -4.301 1.00 0.00 C ATOM 1777 CE1 PHE A 120 1.632 11.848 -2.493 1.00 0.00 C ATOM 1778 CE2 PHE A 120 -0.646 11.461 -3.005 1.00 0.00 C ATOM 1779 CZ PHE A 120 0.377 11.439 -2.097 1.00 0.00 C ATOM 0 H PHE A 120 3.568 12.595 -5.932 1.00 0.00 H new ATOM 0 HA PHE A 120 1.478 10.763 -6.797 1.00 0.00 H new ATOM 0 HB2 PHE A 120 1.534 13.740 -6.159 1.00 0.00 H new ATOM 0 HB3 PHE A 120 0.067 12.913 -6.641 1.00 0.00 H new ATOM 0 HD1 PHE A 120 2.846 12.594 -4.084 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -1.252 11.895 -5.003 1.00 0.00 H new ATOM 0 HE1 PHE A 120 2.447 11.834 -1.785 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -1.633 11.142 -2.705 1.00 0.00 H new ATOM 0 HZ PHE A 120 0.204 11.106 -1.084 1.00 0.00 H new ATOM 1789 N VAL A 121 0.940 11.405 -9.190 1.00 0.00 N ATOM 1790 CA VAL A 121 0.734 11.597 -10.665 1.00 0.00 C ATOM 1791 C VAL A 121 -0.711 11.457 -11.224 1.00 0.00 C ATOM 1792 O VAL A 121 -1.581 10.874 -10.599 1.00 0.00 O ATOM 1793 CB VAL A 121 1.751 10.588 -11.313 1.00 0.00 C ATOM 1794 CG1 VAL A 121 1.085 9.530 -12.197 1.00 0.00 C ATOM 1795 CG2 VAL A 121 2.640 11.405 -12.254 1.00 0.00 C ATOM 0 H VAL A 121 0.355 10.675 -8.783 1.00 0.00 H new ATOM 0 HA VAL A 121 0.910 12.642 -10.921 1.00 0.00 H new ATOM 0 HB VAL A 121 2.273 10.083 -10.500 1.00 0.00 H new ATOM 0 HG11 VAL A 121 1.847 8.869 -12.610 1.00 0.00 H new ATOM 0 HG12 VAL A 121 0.383 8.947 -11.601 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.550 10.020 -13.010 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.367 10.747 -12.731 1.00 0.00 H new ATOM 0 HG22 VAL A 121 2.023 11.878 -13.018 1.00 0.00 H new ATOM 0 HG23 VAL A 121 3.164 12.172 -11.684 1.00 0.00 H new ATOM 1805 N ASP A 122 -0.900 12.045 -12.389 1.00 0.00 N ATOM 1806 CA ASP A 122 -2.232 12.003 -13.106 1.00 0.00 C ATOM 1807 C ASP A 122 -2.323 10.754 -14.046 1.00 0.00 C ATOM 1808 O ASP A 122 -1.545 10.647 -14.974 1.00 0.00 O ATOM 1809 CB ASP A 122 -2.443 13.313 -13.972 1.00 0.00 C ATOM 1810 CG ASP A 122 -3.807 13.224 -14.686 1.00 0.00 C ATOM 1811 OD1 ASP A 122 -4.797 13.312 -13.984 1.00 0.00 O ATOM 1812 OD2 ASP A 122 -3.791 13.064 -15.887 1.00 0.00 O ATOM 0 H ASP A 122 -0.175 12.563 -12.885 1.00 0.00 H new ATOM 0 HA ASP A 122 -3.010 11.939 -12.346 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -2.408 14.196 -13.334 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -1.641 13.415 -14.703 1.00 0.00 H new ATOM 1817 N CYS A 123 -3.229 9.834 -13.831 1.00 0.00 N ATOM 1818 CA CYS A 123 -3.304 8.646 -14.766 1.00 0.00 C ATOM 1819 C CYS A 123 -4.265 8.961 -15.946 1.00 0.00 C ATOM 1820 O CYS A 123 -4.490 8.129 -16.808 1.00 0.00 O ATOM 1821 CB CYS A 123 -3.828 7.380 -14.002 1.00 0.00 C ATOM 1822 SG CYS A 123 -2.698 6.408 -12.969 1.00 0.00 S ATOM 0 H CYS A 123 -3.909 9.842 -13.071 1.00 0.00 H new ATOM 0 HA CYS A 123 -2.303 8.446 -15.149 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -4.651 7.704 -13.365 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -4.248 6.704 -14.746 1.00 0.00 H new ATOM 1827 N ARG A 124 -4.770 10.171 -15.931 1.00 0.00 N ATOM 1828 CA ARG A 124 -5.716 10.677 -16.978 1.00 0.00 C ATOM 1829 C ARG A 124 -6.715 9.629 -17.521 1.00 0.00 C ATOM 1830 O ARG A 124 -6.600 9.167 -18.648 1.00 0.00 O ATOM 1831 CB ARG A 124 -4.865 11.224 -18.119 1.00 0.00 C ATOM 1832 CG ARG A 124 -5.731 12.161 -18.980 1.00 0.00 C ATOM 1833 CD ARG A 124 -4.953 12.454 -20.242 1.00 0.00 C ATOM 1834 NE ARG A 124 -5.063 11.186 -21.046 1.00 0.00 N ATOM 1835 CZ ARG A 124 -4.665 11.101 -22.260 1.00 0.00 C ATOM 1836 NH1 ARG A 124 -5.089 11.980 -23.072 1.00 0.00 N ATOM 1837 NH2 ARG A 124 -3.883 10.141 -22.549 1.00 0.00 N ATOM 0 H ARG A 124 -4.556 10.856 -15.206 1.00 0.00 H new ATOM 0 HA ARG A 124 -6.345 11.437 -16.514 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -4.005 11.763 -17.723 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -4.477 10.406 -18.726 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -6.686 11.693 -19.217 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -5.953 13.083 -18.442 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -5.372 13.304 -20.780 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -3.914 12.697 -20.022 1.00 0.00 H new ATOM 0 HE ARG A 124 -5.471 10.361 -20.606 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -5.719 12.713 -22.747 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -4.799 11.953 -24.050 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -3.599 9.479 -21.827 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -3.540 10.033 -23.503 1.00 0.00 H new ATOM 1851 N ASP A 125 -7.650 9.317 -16.671 1.00 0.00 N ATOM 1852 CA ASP A 125 -8.718 8.330 -16.978 1.00 0.00 C ATOM 1853 C ASP A 125 -9.911 9.106 -17.611 1.00 0.00 C ATOM 1854 O ASP A 125 -10.697 9.726 -16.900 1.00 0.00 O ATOM 1855 CB ASP A 125 -9.044 7.668 -15.631 1.00 0.00 C ATOM 1856 CG ASP A 125 -9.832 6.363 -15.737 1.00 0.00 C ATOM 1857 OD1 ASP A 125 -9.647 5.603 -16.676 1.00 0.00 O ATOM 1858 OD2 ASP A 125 -10.588 6.209 -14.799 1.00 0.00 O ATOM 1859 OXT ASP A 125 -9.941 9.029 -18.829 1.00 0.00 O ATOM 0 H ASP A 125 -7.719 9.723 -15.738 1.00 0.00 H new ATOM 0 HA ASP A 125 -8.443 7.556 -17.695 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -8.111 7.472 -15.102 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -9.613 8.372 -15.023 1.00 0.00 H new