USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 885 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 91 LYS NZ :NH3+ 167:sc= 0.456 (180deg=0) USER MOD Set 1.2: A 93 THR OG1 : rot 180:sc= 0.385 USER MOD Single : A 1 GLY N :NH3+ 149:sc= 0.00237 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0132 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN :FLIP amide:sc= -0.0284 F(o=-0.92,f=-0.028) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.0603 K(o=-0.06,f=-1.8!) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc= -0.524 K(o=-0.52,f=-3.7!) USER MOD Single : A 31 SER OG : rot -160:sc= -1.68 USER MOD Single : A 33 LYS NZ :NH3+ -109:sc= 0.432 (180deg=-0.0772) USER MOD Single : A 40 MET CE :methyl 143:sc= -4.18 (180deg=-8.71!) USER MOD Single : A 45 LYS NZ :NH3+ 170:sc= -1.42 (180deg=-1.6) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -3.13! C(o=-3.1!,f=-3.7!) USER MOD Single : A 57 CYS SG : rot 150:sc= -0.232 USER MOD Single : A 63 MET CE :methyl -172:sc= -2.7 (180deg=-2.95!) USER MOD Single : A 68 SER OG : rot 180:sc= 0.0394 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -140:sc= -1.31 (180deg=-2.83!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -0.172 X(o=-0.17,f=0) USER MOD Single : A 105 ASN : amide:sc= -1.29 K(o=-1.3,f=-3.1!) USER MOD Single : A 106 GLN : amide:sc= -0.294 K(o=-0.29,f=-2.2!) USER MOD Single : A 109 SER OG : rot -92:sc= -0.663! USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.799 -3.293 -18.372 1.00 0.00 N ATOM 2 CA GLY A 1 -5.234 -1.964 -18.540 1.00 0.00 C ATOM 3 C GLY A 1 -5.444 -1.116 -17.285 1.00 0.00 C ATOM 4 O GLY A 1 -6.534 -1.105 -16.714 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.125 -3.650 -19.293 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.074 -3.933 -17.989 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.603 -3.248 -17.714 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.168 -2.043 -18.756 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.697 -1.474 -19.396 1.00 0.00 H new ATOM 8 N SER A 2 -4.384 -0.426 -16.891 1.00 0.00 N ATOM 9 CA SER A 2 -4.439 0.424 -15.714 1.00 0.00 C ATOM 10 C SER A 2 -3.943 1.829 -16.059 1.00 0.00 C ATOM 11 O SER A 2 -4.727 2.776 -16.100 1.00 0.00 O ATOM 12 CB SER A 2 -3.611 -0.166 -14.570 1.00 0.00 C ATOM 13 OG SER A 2 -4.223 0.049 -13.302 1.00 0.00 O ATOM 0 H SER A 2 -3.482 -0.438 -17.366 1.00 0.00 H new ATOM 0 HA SER A 2 -5.476 0.484 -15.383 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.479 -1.236 -14.732 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.617 0.282 -14.573 1.00 0.00 H new ATOM 0 HG SER A 2 -3.665 -0.344 -12.599 1.00 0.00 H new ATOM 19 N SER A 3 -2.643 1.921 -16.297 1.00 0.00 N ATOM 20 CA SER A 3 -2.032 3.195 -16.637 1.00 0.00 C ATOM 21 C SER A 3 -1.033 3.008 -17.781 1.00 0.00 C ATOM 22 O SER A 3 -1.069 1.998 -18.482 1.00 0.00 O ATOM 23 CB SER A 3 -1.339 3.815 -15.422 1.00 0.00 C ATOM 24 OG SER A 3 -0.076 3.209 -15.162 1.00 0.00 O ATOM 0 H SER A 3 -1.995 1.134 -16.261 1.00 0.00 H new ATOM 0 HA SER A 3 -2.819 3.877 -16.959 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.201 4.883 -15.589 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.979 3.709 -14.546 1.00 0.00 H new ATOM 0 HG SER A 3 0.336 3.633 -14.380 1.00 0.00 H new ATOM 30 N GLY A 4 -0.165 3.998 -17.933 1.00 0.00 N ATOM 31 CA GLY A 4 0.842 3.955 -18.980 1.00 0.00 C ATOM 32 C GLY A 4 2.003 4.898 -18.662 1.00 0.00 C ATOM 33 O GLY A 4 2.974 4.499 -18.019 1.00 0.00 O ATOM 0 H GLY A 4 -0.138 4.834 -17.349 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.215 2.937 -19.089 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.393 4.234 -19.933 1.00 0.00 H new ATOM 37 N SER A 5 1.867 6.132 -19.126 1.00 0.00 N ATOM 38 CA SER A 5 2.893 7.135 -18.899 1.00 0.00 C ATOM 39 C SER A 5 4.187 6.729 -19.606 1.00 0.00 C ATOM 40 O SER A 5 4.546 5.552 -19.625 1.00 0.00 O ATOM 41 CB SER A 5 3.145 7.336 -17.404 1.00 0.00 C ATOM 42 OG SER A 5 2.273 8.312 -16.841 1.00 0.00 O ATOM 0 H SER A 5 1.061 6.460 -19.658 1.00 0.00 H new ATOM 0 HA SER A 5 2.543 8.082 -19.311 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.012 6.388 -16.883 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.180 7.642 -17.249 1.00 0.00 H new ATOM 0 HG SER A 5 2.465 8.409 -15.885 1.00 0.00 H new ATOM 48 N SER A 6 4.853 7.725 -20.171 1.00 0.00 N ATOM 49 CA SER A 6 6.100 7.486 -20.878 1.00 0.00 C ATOM 50 C SER A 6 7.245 8.226 -20.183 1.00 0.00 C ATOM 51 O SER A 6 8.157 7.600 -19.645 1.00 0.00 O ATOM 52 CB SER A 6 5.997 7.923 -22.340 1.00 0.00 C ATOM 53 OG SER A 6 6.923 7.229 -23.171 1.00 0.00 O ATOM 0 H SER A 6 4.553 8.700 -20.154 1.00 0.00 H new ATOM 0 HA SER A 6 6.303 6.415 -20.860 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.984 7.747 -22.701 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.179 8.995 -22.412 1.00 0.00 H new ATOM 0 HG SER A 6 6.825 7.535 -24.097 1.00 0.00 H new ATOM 59 N GLY A 7 7.161 9.548 -20.217 1.00 0.00 N ATOM 60 CA GLY A 7 8.179 10.379 -19.597 1.00 0.00 C ATOM 61 C GLY A 7 8.347 11.696 -20.356 1.00 0.00 C ATOM 62 O GLY A 7 8.770 11.702 -21.511 1.00 0.00 O ATOM 0 H GLY A 7 6.403 10.064 -20.664 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.906 10.584 -18.562 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.128 9.843 -19.576 1.00 0.00 H new ATOM 66 N ASP A 8 8.009 12.782 -19.675 1.00 0.00 N ATOM 67 CA ASP A 8 8.118 14.103 -20.271 1.00 0.00 C ATOM 68 C ASP A 8 8.916 15.014 -19.337 1.00 0.00 C ATOM 69 O ASP A 8 9.094 14.701 -18.161 1.00 0.00 O ATOM 70 CB ASP A 8 6.737 14.729 -20.478 1.00 0.00 C ATOM 71 CG ASP A 8 6.266 14.791 -21.932 1.00 0.00 C ATOM 72 OD1 ASP A 8 7.026 15.352 -22.751 1.00 0.00 O ATOM 73 OD2 ASP A 8 5.157 14.277 -22.192 1.00 0.00 O ATOM 0 H ASP A 8 7.660 12.774 -18.717 1.00 0.00 H new ATOM 0 HA ASP A 8 8.614 13.999 -21.236 1.00 0.00 H new ATOM 0 HB2 ASP A 8 6.007 14.162 -19.900 1.00 0.00 H new ATOM 0 HB3 ASP A 8 6.749 15.741 -20.072 1.00 0.00 H new ATOM 78 N ASP A 9 9.374 16.125 -19.895 1.00 0.00 N ATOM 79 CA ASP A 9 10.149 17.084 -19.127 1.00 0.00 C ATOM 80 C ASP A 9 9.490 17.288 -17.761 1.00 0.00 C ATOM 81 O ASP A 9 8.463 17.957 -17.657 1.00 0.00 O ATOM 82 CB ASP A 9 10.203 18.441 -19.833 1.00 0.00 C ATOM 83 CG ASP A 9 11.563 19.139 -19.789 1.00 0.00 C ATOM 84 OD1 ASP A 9 12.555 18.432 -19.508 1.00 0.00 O ATOM 85 OD2 ASP A 9 11.580 20.364 -20.037 1.00 0.00 O ATOM 0 H ASP A 9 9.223 16.382 -20.870 1.00 0.00 H new ATOM 0 HA ASP A 9 11.161 16.692 -19.021 1.00 0.00 H new ATOM 0 HB2 ASP A 9 9.916 18.303 -20.875 1.00 0.00 H new ATOM 0 HB3 ASP A 9 9.459 19.098 -19.382 1.00 0.00 H new ATOM 90 N ASN A 10 10.108 16.700 -16.748 1.00 0.00 N ATOM 91 CA ASN A 10 9.595 16.808 -15.393 1.00 0.00 C ATOM 92 C ASN A 10 9.525 18.284 -14.995 1.00 0.00 C ATOM 93 O ASN A 10 8.850 18.640 -14.031 1.00 0.00 O ATOM 94 CB ASN A 10 10.511 16.093 -14.398 1.00 0.00 C ATOM 95 CG ASN A 10 11.979 16.435 -14.661 1.00 0.00 C ATOM 96 OD1 ASN A 10 12.590 15.594 -15.490 1.00 0.00 O flip ATOM 97 ND2 ASN A 10 12.521 17.398 -14.144 1.00 0.00 N flip ATOM 0 H ASN A 10 10.960 16.147 -16.838 1.00 0.00 H new ATOM 0 HA ASN A 10 8.607 16.347 -15.369 1.00 0.00 H new ATOM 0 HB2 ASN A 10 10.244 16.380 -13.381 1.00 0.00 H new ATOM 0 HB3 ASN A 10 10.366 15.015 -14.474 1.00 0.00 H new ATOM 0 HD21 ASN A 10 11.993 18.004 -13.516 1.00 0.00 H new ATOM 0 HD22 ASN A 10 13.502 17.597 -14.340 1.00 0.00 H new ATOM 104 N GLU A 11 10.233 19.104 -15.759 1.00 0.00 N ATOM 105 CA GLU A 11 10.260 20.533 -15.498 1.00 0.00 C ATOM 106 C GLU A 11 8.839 21.063 -15.300 1.00 0.00 C ATOM 107 O GLU A 11 8.543 21.690 -14.284 1.00 0.00 O ATOM 108 CB GLU A 11 10.972 21.282 -16.626 1.00 0.00 C ATOM 109 CG GLU A 11 12.139 22.110 -16.083 1.00 0.00 C ATOM 110 CD GLU A 11 12.059 23.558 -16.573 1.00 0.00 C ATOM 111 OE1 GLU A 11 12.005 23.736 -17.809 1.00 0.00 O ATOM 112 OE2 GLU A 11 12.054 24.453 -15.700 1.00 0.00 O ATOM 0 H GLU A 11 10.792 18.806 -16.558 1.00 0.00 H new ATOM 0 HA GLU A 11 10.822 20.705 -14.580 1.00 0.00 H new ATOM 0 HB2 GLU A 11 11.339 20.570 -17.365 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.265 21.935 -17.137 1.00 0.00 H new ATOM 0 HG2 GLU A 11 12.128 22.090 -14.993 1.00 0.00 H new ATOM 0 HG3 GLU A 11 13.083 21.667 -16.400 1.00 0.00 H new ATOM 119 N ARG A 12 7.997 20.792 -16.286 1.00 0.00 N ATOM 120 CA ARG A 12 6.614 21.234 -16.233 1.00 0.00 C ATOM 121 C ARG A 12 5.840 20.430 -15.186 1.00 0.00 C ATOM 122 O ARG A 12 5.039 20.988 -14.437 1.00 0.00 O ATOM 123 CB ARG A 12 5.932 21.077 -17.593 1.00 0.00 C ATOM 124 CG ARG A 12 4.827 22.119 -17.777 1.00 0.00 C ATOM 125 CD ARG A 12 4.276 22.088 -19.204 1.00 0.00 C ATOM 126 NE ARG A 12 4.680 23.314 -19.929 1.00 0.00 N ATOM 127 CZ ARG A 12 4.455 23.523 -21.233 1.00 0.00 C ATOM 128 NH1 ARG A 12 3.828 22.591 -21.963 1.00 0.00 N ATOM 129 NH2 ARG A 12 4.857 24.665 -21.807 1.00 0.00 N ATOM 0 H ARG A 12 8.246 20.271 -17.127 1.00 0.00 H new ATOM 0 HA ARG A 12 6.614 22.289 -15.960 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.670 21.181 -18.388 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.510 20.076 -17.679 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.021 21.929 -17.068 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.218 23.112 -17.556 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.648 21.207 -19.727 1.00 0.00 H new ATOM 0 HD3 ARG A 12 3.189 22.010 -19.181 1.00 0.00 H new ATOM 0 HE ARG A 12 5.159 24.045 -19.403 1.00 0.00 H new ATOM 0 HH11 ARG A 12 3.522 21.722 -21.526 1.00 0.00 H new ATOM 0 HH12 ARG A 12 3.657 22.751 -22.956 1.00 0.00 H new ATOM 0 HH21 ARG A 12 5.334 25.375 -21.251 1.00 0.00 H new ATOM 0 HH22 ARG A 12 4.686 24.825 -22.800 1.00 0.00 H new ATOM 143 N LEU A 13 6.106 19.133 -15.167 1.00 0.00 N ATOM 144 CA LEU A 13 5.445 18.247 -14.224 1.00 0.00 C ATOM 145 C LEU A 13 5.240 18.981 -12.898 1.00 0.00 C ATOM 146 O LEU A 13 4.217 19.634 -12.697 1.00 0.00 O ATOM 147 CB LEU A 13 6.220 16.935 -14.088 1.00 0.00 C ATOM 148 CG LEU A 13 5.798 15.805 -15.029 1.00 0.00 C ATOM 149 CD1 LEU A 13 6.522 15.910 -16.372 1.00 0.00 C ATOM 150 CD2 LEU A 13 6.005 14.438 -14.372 1.00 0.00 C ATOM 0 H LEU A 13 6.771 18.674 -15.790 1.00 0.00 H new ATOM 0 HA LEU A 13 4.457 17.970 -14.591 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.277 17.142 -14.253 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.120 16.582 -13.061 1.00 0.00 H new ATOM 0 HG LEU A 13 4.732 15.908 -15.229 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.204 15.095 -17.022 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.281 16.864 -16.842 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.598 15.847 -16.211 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.697 13.652 -15.062 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.058 14.310 -14.123 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.407 14.377 -13.463 1.00 0.00 H new ATOM 162 N SER A 14 6.230 18.850 -12.027 1.00 0.00 N ATOM 163 CA SER A 14 6.171 19.493 -10.725 1.00 0.00 C ATOM 164 C SER A 14 5.070 18.856 -9.876 1.00 0.00 C ATOM 165 O SER A 14 5.352 18.226 -8.857 1.00 0.00 O ATOM 166 CB SER A 14 5.931 20.997 -10.864 1.00 0.00 C ATOM 167 OG SER A 14 6.111 21.684 -9.629 1.00 0.00 O ATOM 0 H SER A 14 7.077 18.308 -12.197 1.00 0.00 H new ATOM 0 HA SER A 14 7.131 19.350 -10.229 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.614 21.406 -11.609 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.919 21.170 -11.231 1.00 0.00 H new ATOM 0 HG SER A 14 5.950 22.642 -9.761 1.00 0.00 H new ATOM 173 N LYS A 15 3.837 19.041 -10.326 1.00 0.00 N ATOM 174 CA LYS A 15 2.692 18.492 -9.620 1.00 0.00 C ATOM 175 C LYS A 15 2.550 17.008 -9.964 1.00 0.00 C ATOM 176 O LYS A 15 1.989 16.238 -9.186 1.00 0.00 O ATOM 177 CB LYS A 15 1.436 19.314 -9.916 1.00 0.00 C ATOM 178 CG LYS A 15 0.417 19.185 -8.782 1.00 0.00 C ATOM 179 CD LYS A 15 -0.805 18.381 -9.232 1.00 0.00 C ATOM 180 CE LYS A 15 -2.069 19.242 -9.198 1.00 0.00 C ATOM 181 NZ LYS A 15 -2.317 19.851 -10.525 1.00 0.00 N ATOM 0 H LYS A 15 3.606 19.564 -11.171 1.00 0.00 H new ATOM 0 HA LYS A 15 2.842 18.557 -8.542 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.706 20.362 -10.050 1.00 0.00 H new ATOM 0 HB3 LYS A 15 0.989 18.978 -10.852 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.881 18.698 -7.924 1.00 0.00 H new ATOM 0 HG3 LYS A 15 0.104 20.177 -8.455 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.645 18.003 -10.242 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.933 17.514 -8.584 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.924 18.632 -8.906 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.963 20.024 -8.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.179 20.432 -10.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.508 20.449 -10.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.439 19.100 -11.234 1.00 0.00 H new ATOM 195 N VAL A 16 3.069 16.651 -11.129 1.00 0.00 N ATOM 196 CA VAL A 16 3.008 15.272 -11.585 1.00 0.00 C ATOM 197 C VAL A 16 4.104 14.461 -10.892 1.00 0.00 C ATOM 198 O VAL A 16 3.837 13.392 -10.344 1.00 0.00 O ATOM 199 CB VAL A 16 3.101 15.221 -13.112 1.00 0.00 C ATOM 200 CG1 VAL A 16 2.837 13.806 -13.630 1.00 0.00 C ATOM 201 CG2 VAL A 16 2.144 16.228 -13.753 1.00 0.00 C ATOM 0 H VAL A 16 3.534 17.292 -11.772 1.00 0.00 H new ATOM 0 HA VAL A 16 2.052 14.823 -11.316 1.00 0.00 H new ATOM 0 HB VAL A 16 4.117 15.497 -13.396 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.909 13.797 -14.718 1.00 0.00 H new ATOM 0 HG12 VAL A 16 3.575 13.122 -13.212 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.838 13.489 -13.330 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.230 16.172 -14.838 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.121 15.997 -13.457 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.399 17.234 -13.421 1.00 0.00 H new ATOM 211 N GLU A 17 5.313 14.999 -10.938 1.00 0.00 N ATOM 212 CA GLU A 17 6.451 14.338 -10.321 1.00 0.00 C ATOM 213 C GLU A 17 6.105 13.909 -8.894 1.00 0.00 C ATOM 214 O GLU A 17 6.554 12.862 -8.431 1.00 0.00 O ATOM 215 CB GLU A 17 7.685 15.241 -10.339 1.00 0.00 C ATOM 216 CG GLU A 17 8.762 14.681 -11.271 1.00 0.00 C ATOM 217 CD GLU A 17 9.759 13.814 -10.499 1.00 0.00 C ATOM 218 OE1 GLU A 17 10.384 14.363 -9.566 1.00 0.00 O ATOM 219 OE2 GLU A 17 9.873 12.623 -10.860 1.00 0.00 O ATOM 0 H GLU A 17 5.530 15.886 -11.393 1.00 0.00 H new ATOM 0 HA GLU A 17 6.687 13.445 -10.900 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.402 16.242 -10.664 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.086 15.335 -9.330 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.295 14.090 -12.059 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.289 15.502 -11.758 1.00 0.00 H new ATOM 226 N LYS A 18 5.311 14.741 -8.236 1.00 0.00 N ATOM 227 CA LYS A 18 4.900 14.461 -6.871 1.00 0.00 C ATOM 228 C LYS A 18 3.936 13.273 -6.866 1.00 0.00 C ATOM 229 O LYS A 18 4.034 12.393 -6.013 1.00 0.00 O ATOM 230 CB LYS A 18 4.329 15.719 -6.214 1.00 0.00 C ATOM 231 CG LYS A 18 5.313 16.302 -5.198 1.00 0.00 C ATOM 232 CD LYS A 18 4.895 15.953 -3.768 1.00 0.00 C ATOM 233 CE LYS A 18 4.736 14.441 -3.597 1.00 0.00 C ATOM 234 NZ LYS A 18 5.978 13.848 -3.052 1.00 0.00 N ATOM 0 H LYS A 18 4.941 15.609 -8.623 1.00 0.00 H new ATOM 0 HA LYS A 18 5.760 14.176 -6.266 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.106 16.464 -6.978 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.388 15.480 -5.718 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.314 15.916 -5.393 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.361 17.385 -5.313 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.641 16.326 -3.066 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.955 16.451 -3.528 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.901 14.230 -2.928 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.498 13.983 -4.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.853 12.821 -2.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.766 14.033 -3.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.188 14.272 -2.126 1.00 0.00 H new ATOM 248 N ALA A 19 3.027 13.286 -7.830 1.00 0.00 N ATOM 249 CA ALA A 19 2.046 12.221 -7.948 1.00 0.00 C ATOM 250 C ALA A 19 2.761 10.908 -8.273 1.00 0.00 C ATOM 251 O ALA A 19 2.678 9.947 -7.510 1.00 0.00 O ATOM 252 CB ALA A 19 1.008 12.597 -9.007 1.00 0.00 C ATOM 0 H ALA A 19 2.949 14.017 -8.537 1.00 0.00 H new ATOM 0 HA ALA A 19 1.515 12.083 -7.006 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.272 11.798 -9.095 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.508 13.520 -8.714 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.504 12.741 -9.967 1.00 0.00 H new ATOM 258 N ARG A 20 3.448 10.910 -9.406 1.00 0.00 N ATOM 259 CA ARG A 20 4.177 9.731 -9.841 1.00 0.00 C ATOM 260 C ARG A 20 4.888 9.079 -8.653 1.00 0.00 C ATOM 261 O ARG A 20 4.667 7.904 -8.363 1.00 0.00 O ATOM 262 CB ARG A 20 5.210 10.087 -10.912 1.00 0.00 C ATOM 263 CG ARG A 20 5.118 9.129 -12.102 1.00 0.00 C ATOM 264 CD ARG A 20 6.509 8.680 -12.553 1.00 0.00 C ATOM 265 NE ARG A 20 6.404 7.449 -13.368 1.00 0.00 N ATOM 266 CZ ARG A 20 6.226 6.223 -12.859 1.00 0.00 C ATOM 267 NH1 ARG A 20 6.131 6.056 -11.533 1.00 0.00 N ATOM 268 NH2 ARG A 20 6.141 5.164 -13.675 1.00 0.00 N ATOM 0 H ARG A 20 3.515 11.709 -10.036 1.00 0.00 H new ATOM 0 HA ARG A 20 3.456 9.032 -10.266 1.00 0.00 H new ATOM 0 HB2 ARG A 20 5.050 11.110 -11.251 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.212 10.046 -10.484 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.522 8.259 -11.827 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.604 9.619 -12.929 1.00 0.00 H new ATOM 0 HD2 ARG A 20 6.985 9.471 -13.133 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.141 8.498 -11.684 1.00 0.00 H new ATOM 0 HE ARG A 20 6.471 7.540 -14.382 1.00 0.00 H new ATOM 0 HH11 ARG A 20 6.194 6.862 -10.912 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.995 5.122 -11.145 1.00 0.00 H new ATOM 0 HH21 ARG A 20 6.212 5.291 -14.685 1.00 0.00 H new ATOM 0 HH22 ARG A 20 6.005 4.231 -13.287 1.00 0.00 H new ATOM 282 N GLN A 21 5.727 9.869 -8.000 1.00 0.00 N ATOM 283 CA GLN A 21 6.471 9.383 -6.850 1.00 0.00 C ATOM 284 C GLN A 21 5.517 8.785 -5.814 1.00 0.00 C ATOM 285 O GLN A 21 5.655 7.623 -5.435 1.00 0.00 O ATOM 286 CB GLN A 21 7.320 10.497 -6.236 1.00 0.00 C ATOM 287 CG GLN A 21 8.512 10.837 -7.134 1.00 0.00 C ATOM 288 CD GLN A 21 9.588 11.594 -6.353 1.00 0.00 C ATOM 289 OE1 GLN A 21 9.548 11.706 -5.139 1.00 0.00 O ATOM 290 NE2 GLN A 21 10.550 12.106 -7.116 1.00 0.00 N ATOM 0 H GLN A 21 5.908 10.842 -8.245 1.00 0.00 H new ATOM 0 HA GLN A 21 7.149 8.598 -7.186 1.00 0.00 H new ATOM 0 HB2 GLN A 21 6.707 11.386 -6.087 1.00 0.00 H new ATOM 0 HB3 GLN A 21 7.677 10.188 -5.254 1.00 0.00 H new ATOM 0 HG2 GLN A 21 8.934 9.921 -7.547 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.176 11.441 -7.977 1.00 0.00 H new ATOM 0 HE21 GLN A 21 10.523 11.975 -8.127 1.00 0.00 H new ATOM 0 HE22 GLN A 21 11.315 12.629 -6.690 1.00 0.00 H new ATOM 299 N LEU A 22 4.571 9.607 -5.385 1.00 0.00 N ATOM 300 CA LEU A 22 3.594 9.175 -4.400 1.00 0.00 C ATOM 301 C LEU A 22 2.986 7.843 -4.842 1.00 0.00 C ATOM 302 O LEU A 22 2.888 6.907 -4.049 1.00 0.00 O ATOM 303 CB LEU A 22 2.558 10.273 -4.154 1.00 0.00 C ATOM 304 CG LEU A 22 3.038 11.481 -3.347 1.00 0.00 C ATOM 305 CD1 LEU A 22 1.941 12.542 -3.242 1.00 0.00 C ATOM 306 CD2 LEU A 22 3.553 11.051 -1.972 1.00 0.00 C ATOM 0 H LEU A 22 4.460 10.570 -5.702 1.00 0.00 H new ATOM 0 HA LEU A 22 4.075 9.003 -3.437 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.197 10.627 -5.120 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.706 9.831 -3.637 1.00 0.00 H new ATOM 0 HG LEU A 22 3.875 11.935 -3.877 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.309 13.389 -2.664 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.663 12.878 -4.241 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.069 12.116 -2.747 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.888 11.928 -1.418 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.752 10.559 -1.421 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.387 10.360 -2.096 1.00 0.00 H new ATOM 318 N ARG A 23 2.592 7.799 -6.106 1.00 0.00 N ATOM 319 CA ARG A 23 1.996 6.597 -6.663 1.00 0.00 C ATOM 320 C ARG A 23 2.908 5.392 -6.425 1.00 0.00 C ATOM 321 O ARG A 23 2.429 4.278 -6.219 1.00 0.00 O ATOM 322 CB ARG A 23 1.747 6.750 -8.165 1.00 0.00 C ATOM 323 CG ARG A 23 0.680 7.812 -8.439 1.00 0.00 C ATOM 324 CD ARG A 23 -0.148 7.451 -9.674 1.00 0.00 C ATOM 325 NE ARG A 23 -0.347 8.650 -10.518 1.00 0.00 N ATOM 326 CZ ARG A 23 0.531 9.078 -11.434 1.00 0.00 C ATOM 327 NH1 ARG A 23 1.675 8.408 -11.630 1.00 0.00 N ATOM 328 NH2 ARG A 23 0.267 10.177 -12.155 1.00 0.00 N ATOM 0 H ARG A 23 2.674 8.577 -6.761 1.00 0.00 H new ATOM 0 HA ARG A 23 1.041 6.439 -6.162 1.00 0.00 H new ATOM 0 HB2 ARG A 23 2.676 7.025 -8.665 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.430 5.795 -8.584 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.025 7.907 -7.573 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.156 8.781 -8.586 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.358 6.673 -10.246 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.113 7.046 -9.369 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.207 9.184 -10.394 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.877 7.572 -11.081 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.344 8.734 -12.328 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.603 10.688 -12.006 1.00 0.00 H new ATOM 0 HH22 ARG A 23 0.936 10.502 -12.853 1.00 0.00 H new ATOM 342 N GLU A 24 4.206 5.657 -6.459 1.00 0.00 N ATOM 343 CA GLU A 24 5.189 4.608 -6.249 1.00 0.00 C ATOM 344 C GLU A 24 5.263 4.239 -4.766 1.00 0.00 C ATOM 345 O GLU A 24 5.213 3.061 -4.413 1.00 0.00 O ATOM 346 CB GLU A 24 6.562 5.030 -6.778 1.00 0.00 C ATOM 347 CG GLU A 24 6.459 5.559 -8.209 1.00 0.00 C ATOM 348 CD GLU A 24 7.618 5.048 -9.067 1.00 0.00 C ATOM 349 OE1 GLU A 24 8.694 5.682 -9.003 1.00 0.00 O ATOM 350 OE2 GLU A 24 7.403 4.036 -9.768 1.00 0.00 O ATOM 0 H GLU A 24 4.599 6.583 -6.629 1.00 0.00 H new ATOM 0 HA GLU A 24 4.876 3.726 -6.808 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.984 5.800 -6.132 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.244 4.180 -6.749 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.511 5.247 -8.648 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.462 6.649 -8.199 1.00 0.00 H new ATOM 357 N GLN A 25 5.380 5.266 -3.938 1.00 0.00 N ATOM 358 CA GLN A 25 5.461 5.064 -2.502 1.00 0.00 C ATOM 359 C GLN A 25 4.219 4.325 -1.999 1.00 0.00 C ATOM 360 O GLN A 25 4.331 3.334 -1.279 1.00 0.00 O ATOM 361 CB GLN A 25 5.640 6.396 -1.770 1.00 0.00 C ATOM 362 CG GLN A 25 7.097 6.599 -1.350 1.00 0.00 C ATOM 363 CD GLN A 25 7.184 7.237 0.038 1.00 0.00 C ATOM 364 OE1 GLN A 25 7.191 6.568 1.058 1.00 0.00 O ATOM 365 NE2 GLN A 25 7.250 8.565 0.020 1.00 0.00 N ATOM 0 H GLN A 25 5.421 6.241 -4.234 1.00 0.00 H new ATOM 0 HA GLN A 25 6.336 4.450 -2.290 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.327 7.215 -2.417 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.997 6.421 -0.890 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.615 5.640 -1.346 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.604 7.233 -2.078 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.240 9.064 -0.869 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.311 9.085 0.896 1.00 0.00 H new ATOM 374 N VAL A 26 3.063 4.837 -2.397 1.00 0.00 N ATOM 375 CA VAL A 26 1.802 4.238 -1.996 1.00 0.00 C ATOM 376 C VAL A 26 1.788 2.764 -2.408 1.00 0.00 C ATOM 377 O VAL A 26 1.577 1.885 -1.574 1.00 0.00 O ATOM 378 CB VAL A 26 0.634 5.033 -2.584 1.00 0.00 C ATOM 379 CG1 VAL A 26 -0.693 4.308 -2.355 1.00 0.00 C ATOM 380 CG2 VAL A 26 0.592 6.450 -2.007 1.00 0.00 C ATOM 0 H VAL A 26 2.974 5.660 -2.993 1.00 0.00 H new ATOM 0 HA VAL A 26 1.690 4.274 -0.912 1.00 0.00 H new ATOM 0 HB VAL A 26 0.790 5.113 -3.660 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.506 4.894 -2.782 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.660 3.329 -2.834 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.859 4.183 -1.285 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.247 6.995 -2.441 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.471 6.399 -0.925 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.522 6.967 -2.244 1.00 0.00 H new ATOM 390 N ASN A 27 2.016 2.540 -3.694 1.00 0.00 N ATOM 391 CA ASN A 27 2.033 1.188 -4.226 1.00 0.00 C ATOM 392 C ASN A 27 2.967 0.322 -3.379 1.00 0.00 C ATOM 393 O ASN A 27 2.516 -0.584 -2.680 1.00 0.00 O ATOM 394 CB ASN A 27 2.548 1.170 -5.667 1.00 0.00 C ATOM 395 CG ASN A 27 2.696 -0.265 -6.178 1.00 0.00 C ATOM 396 OD1 ASN A 27 3.564 -1.013 -5.761 1.00 0.00 O ATOM 397 ND2 ASN A 27 1.802 -0.604 -7.103 1.00 0.00 N ATOM 0 H ASN A 27 2.190 3.272 -4.383 1.00 0.00 H new ATOM 0 HA ASN A 27 1.013 0.804 -4.202 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.860 1.720 -6.310 1.00 0.00 H new ATOM 0 HB3 ASN A 27 3.510 1.680 -5.720 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.817 -1.540 -7.508 1.00 0.00 H new ATOM 0 HD22 ASN A 27 1.101 0.072 -7.407 1.00 0.00 H new ATOM 404 N ASP A 28 4.252 0.631 -3.470 1.00 0.00 N ATOM 405 CA ASP A 28 5.254 -0.108 -2.720 1.00 0.00 C ATOM 406 C ASP A 28 4.788 -0.264 -1.271 1.00 0.00 C ATOM 407 O ASP A 28 4.816 -1.364 -0.722 1.00 0.00 O ATOM 408 CB ASP A 28 6.592 0.635 -2.709 1.00 0.00 C ATOM 409 CG ASP A 28 7.812 -0.226 -3.042 1.00 0.00 C ATOM 410 OD1 ASP A 28 8.169 -1.061 -2.182 1.00 0.00 O ATOM 411 OD2 ASP A 28 8.360 -0.031 -4.148 1.00 0.00 O ATOM 0 H ASP A 28 4.623 1.383 -4.051 1.00 0.00 H new ATOM 0 HA ASP A 28 5.384 -1.079 -3.197 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.540 1.457 -3.423 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.737 1.078 -1.724 1.00 0.00 H new ATOM 416 N LEU A 29 4.371 0.853 -0.694 1.00 0.00 N ATOM 417 CA LEU A 29 3.899 0.854 0.681 1.00 0.00 C ATOM 418 C LEU A 29 2.957 -0.333 0.893 1.00 0.00 C ATOM 419 O LEU A 29 3.259 -1.239 1.668 1.00 0.00 O ATOM 420 CB LEU A 29 3.274 2.205 1.032 1.00 0.00 C ATOM 421 CG LEU A 29 2.234 2.192 2.155 1.00 0.00 C ATOM 422 CD1 LEU A 29 2.855 1.723 3.472 1.00 0.00 C ATOM 423 CD2 LEU A 29 1.560 3.558 2.293 1.00 0.00 C ATOM 0 H LEU A 29 4.350 1.764 -1.153 1.00 0.00 H new ATOM 0 HA LEU A 29 4.734 0.726 1.370 1.00 0.00 H new ATOM 0 HB2 LEU A 29 4.073 2.891 1.312 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.806 2.610 0.135 1.00 0.00 H new ATOM 0 HG LEU A 29 1.457 1.474 1.893 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.095 1.723 4.253 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.249 0.714 3.349 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.664 2.397 3.753 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.826 3.522 3.098 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.312 4.313 2.522 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.061 3.814 1.358 1.00 0.00 H new ATOM 435 N PHE A 30 1.835 -0.290 0.191 1.00 0.00 N ATOM 436 CA PHE A 30 0.847 -1.350 0.292 1.00 0.00 C ATOM 437 C PHE A 30 1.486 -2.720 0.054 1.00 0.00 C ATOM 438 O PHE A 30 1.139 -3.695 0.720 1.00 0.00 O ATOM 439 CB PHE A 30 -0.199 -1.093 -0.794 1.00 0.00 C ATOM 440 CG PHE A 30 -1.108 0.106 -0.512 1.00 0.00 C ATOM 441 CD1 PHE A 30 -1.557 0.336 0.750 1.00 0.00 C ATOM 442 CD2 PHE A 30 -1.466 0.940 -1.525 1.00 0.00 C ATOM 443 CE1 PHE A 30 -2.400 1.448 1.012 1.00 0.00 C ATOM 444 CE2 PHE A 30 -2.309 2.052 -1.263 1.00 0.00 C ATOM 445 CZ PHE A 30 -2.758 2.283 0.000 1.00 0.00 C ATOM 0 H PHE A 30 1.588 0.463 -0.451 1.00 0.00 H new ATOM 0 HA PHE A 30 0.406 -1.353 1.289 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.311 -0.934 -1.744 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.816 -1.984 -0.908 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.273 -0.327 1.554 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.109 0.757 -2.528 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.757 1.631 2.015 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.594 2.715 -2.067 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.399 3.129 0.199 1.00 0.00 H new ATOM 455 N SER A 31 2.408 -2.750 -0.897 1.00 0.00 N ATOM 456 CA SER A 31 3.099 -3.984 -1.231 1.00 0.00 C ATOM 457 C SER A 31 3.909 -4.472 -0.029 1.00 0.00 C ATOM 458 O SER A 31 3.814 -5.635 0.358 1.00 0.00 O ATOM 459 CB SER A 31 4.011 -3.793 -2.444 1.00 0.00 C ATOM 460 OG SER A 31 3.629 -2.666 -3.228 1.00 0.00 O ATOM 0 H SER A 31 2.693 -1.939 -1.447 1.00 0.00 H new ATOM 0 HA SER A 31 2.352 -4.736 -1.487 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.040 -3.668 -2.107 1.00 0.00 H new ATOM 0 HB3 SER A 31 3.984 -4.690 -3.062 1.00 0.00 H new ATOM 0 HG SER A 31 4.004 -2.752 -4.129 1.00 0.00 H new ATOM 466 N ARG A 32 4.689 -3.557 0.529 1.00 0.00 N ATOM 467 CA ARG A 32 5.516 -3.880 1.680 1.00 0.00 C ATOM 468 C ARG A 32 4.643 -4.341 2.848 1.00 0.00 C ATOM 469 O ARG A 32 4.866 -5.413 3.409 1.00 0.00 O ATOM 470 CB ARG A 32 6.346 -2.671 2.118 1.00 0.00 C ATOM 471 CG ARG A 32 7.824 -3.042 2.256 1.00 0.00 C ATOM 472 CD ARG A 32 8.269 -2.983 3.719 1.00 0.00 C ATOM 473 NE ARG A 32 9.409 -3.901 3.938 1.00 0.00 N ATOM 474 CZ ARG A 32 10.670 -3.635 3.571 1.00 0.00 C ATOM 475 NH1 ARG A 32 10.960 -2.476 2.964 1.00 0.00 N ATOM 476 NH2 ARG A 32 11.640 -4.527 3.810 1.00 0.00 N ATOM 0 H ARG A 32 4.766 -2.593 0.206 1.00 0.00 H new ATOM 0 HA ARG A 32 6.192 -4.684 1.388 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.236 -1.867 1.391 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.972 -2.294 3.070 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.989 -4.045 1.862 1.00 0.00 H new ATOM 0 HG3 ARG A 32 8.431 -2.361 1.660 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.556 -1.964 3.980 1.00 0.00 H new ATOM 0 HD3 ARG A 32 7.440 -3.257 4.371 1.00 0.00 H new ATOM 0 HE ARG A 32 9.223 -4.793 4.397 1.00 0.00 H new ATOM 0 HH11 ARG A 32 10.221 -1.797 2.782 1.00 0.00 H new ATOM 0 HH12 ARG A 32 11.920 -2.273 2.684 1.00 0.00 H new ATOM 0 HH21 ARG A 32 11.419 -5.409 4.272 1.00 0.00 H new ATOM 0 HH22 ARG A 32 12.600 -4.324 3.530 1.00 0.00 H new ATOM 490 N LYS A 33 3.667 -3.509 3.181 1.00 0.00 N ATOM 491 CA LYS A 33 2.759 -3.818 4.272 1.00 0.00 C ATOM 492 C LYS A 33 2.039 -5.135 3.974 1.00 0.00 C ATOM 493 O LYS A 33 1.783 -5.926 4.880 1.00 0.00 O ATOM 494 CB LYS A 33 1.812 -2.644 4.530 1.00 0.00 C ATOM 495 CG LYS A 33 2.594 -1.377 4.883 1.00 0.00 C ATOM 496 CD LYS A 33 2.904 -1.323 6.380 1.00 0.00 C ATOM 497 CE LYS A 33 3.792 -0.122 6.713 1.00 0.00 C ATOM 498 NZ LYS A 33 3.977 -0.005 8.177 1.00 0.00 N ATOM 0 H LYS A 33 3.485 -2.621 2.714 1.00 0.00 H new ATOM 0 HA LYS A 33 3.313 -3.960 5.200 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.201 -2.464 3.646 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.130 -2.894 5.343 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.523 -1.349 4.314 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.018 -0.498 4.595 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.974 -1.260 6.946 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.401 -2.243 6.685 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.761 -0.232 6.226 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.341 0.791 6.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.452 0.821 8.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.621 -0.865 8.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.988 0.111 8.391 1.00 0.00 H new ATOM 512 N PHE A 34 1.732 -5.329 2.700 1.00 0.00 N ATOM 513 CA PHE A 34 1.047 -6.536 2.271 1.00 0.00 C ATOM 514 C PHE A 34 1.932 -7.768 2.466 1.00 0.00 C ATOM 515 O PHE A 34 1.431 -8.864 2.715 1.00 0.00 O ATOM 516 CB PHE A 34 0.743 -6.372 0.780 1.00 0.00 C ATOM 517 CG PHE A 34 0.225 -7.645 0.107 1.00 0.00 C ATOM 518 CD1 PHE A 34 -1.008 -8.126 0.421 1.00 0.00 C ATOM 519 CD2 PHE A 34 0.996 -8.294 -0.805 1.00 0.00 C ATOM 520 CE1 PHE A 34 -1.489 -9.307 -0.203 1.00 0.00 C ATOM 521 CE2 PHE A 34 0.515 -9.475 -1.430 1.00 0.00 C ATOM 522 CZ PHE A 34 -0.718 -9.957 -1.115 1.00 0.00 C ATOM 0 H PHE A 34 1.945 -4.670 1.951 1.00 0.00 H new ATOM 0 HA PHE A 34 0.140 -6.677 2.858 1.00 0.00 H new ATOM 0 HB2 PHE A 34 0.004 -5.581 0.655 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.649 -6.046 0.269 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -1.621 -7.610 1.145 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.975 -7.911 -1.054 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.468 -9.689 0.047 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.127 -9.990 -2.155 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.084 -10.856 -1.589 1.00 0.00 H new ATOM 532 N GLY A 35 3.233 -7.548 2.347 1.00 0.00 N ATOM 533 CA GLY A 35 4.193 -8.627 2.508 1.00 0.00 C ATOM 534 C GLY A 35 3.970 -9.366 3.829 1.00 0.00 C ATOM 535 O GLY A 35 3.673 -10.560 3.833 1.00 0.00 O ATOM 0 H GLY A 35 3.645 -6.638 2.141 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.103 -9.326 1.676 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.206 -8.225 2.478 1.00 0.00 H new ATOM 539 N GLU A 36 4.123 -8.627 4.917 1.00 0.00 N ATOM 540 CA GLU A 36 3.943 -9.197 6.241 1.00 0.00 C ATOM 541 C GLU A 36 2.637 -9.993 6.303 1.00 0.00 C ATOM 542 O GLU A 36 2.567 -11.027 6.965 1.00 0.00 O ATOM 543 CB GLU A 36 3.973 -8.109 7.316 1.00 0.00 C ATOM 544 CG GLU A 36 3.103 -6.917 6.914 1.00 0.00 C ATOM 545 CD GLU A 36 2.928 -5.946 8.083 1.00 0.00 C ATOM 546 OE1 GLU A 36 3.141 -6.394 9.230 1.00 0.00 O ATOM 547 OE2 GLU A 36 2.586 -4.776 7.804 1.00 0.00 O ATOM 0 H GLU A 36 4.370 -7.637 4.909 1.00 0.00 H new ATOM 0 HA GLU A 36 4.771 -9.878 6.437 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.620 -8.518 8.263 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.999 -7.778 7.475 1.00 0.00 H new ATOM 0 HG2 GLU A 36 3.559 -6.398 6.071 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.127 -7.271 6.581 1.00 0.00 H new ATOM 554 N ALA A 37 1.636 -9.481 5.603 1.00 0.00 N ATOM 555 CA ALA A 37 0.337 -10.131 5.570 1.00 0.00 C ATOM 556 C ALA A 37 0.504 -11.571 5.083 1.00 0.00 C ATOM 557 O ALA A 37 -0.304 -12.439 5.411 1.00 0.00 O ATOM 558 CB ALA A 37 -0.616 -9.323 4.685 1.00 0.00 C ATOM 0 H ALA A 37 1.698 -8.623 5.054 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.098 -10.169 6.569 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.591 -9.810 4.660 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -0.724 -8.317 5.090 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.213 -9.266 3.674 1.00 0.00 H new ATOM 564 N ILE A 38 1.558 -11.782 4.308 1.00 0.00 N ATOM 565 CA ILE A 38 1.842 -13.102 3.773 1.00 0.00 C ATOM 566 C ILE A 38 3.172 -13.603 4.340 1.00 0.00 C ATOM 567 O ILE A 38 3.792 -14.503 3.777 1.00 0.00 O ATOM 568 CB ILE A 38 1.795 -13.082 2.244 1.00 0.00 C ATOM 569 CG1 ILE A 38 2.384 -11.782 1.694 1.00 0.00 C ATOM 570 CG2 ILE A 38 0.372 -13.327 1.737 1.00 0.00 C ATOM 571 CD1 ILE A 38 2.251 -11.721 0.171 1.00 0.00 C ATOM 0 H ILE A 38 2.226 -11.060 4.038 1.00 0.00 H new ATOM 0 HA ILE A 38 1.075 -13.811 4.084 1.00 0.00 H new ATOM 0 HB ILE A 38 2.415 -13.898 1.872 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.874 -10.929 2.142 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.435 -11.707 1.974 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.366 -13.308 0.647 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.024 -14.300 2.085 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.289 -12.548 2.117 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.677 -10.787 -0.194 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.783 -12.562 -0.275 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.198 -11.771 -0.105 1.00 0.00 H new ATOM 583 N GLY A 39 3.572 -12.997 5.449 1.00 0.00 N ATOM 584 CA GLY A 39 4.817 -13.369 6.099 1.00 0.00 C ATOM 585 C GLY A 39 5.988 -13.306 5.116 1.00 0.00 C ATOM 586 O GLY A 39 7.039 -13.897 5.359 1.00 0.00 O ATOM 0 H GLY A 39 3.055 -12.250 5.914 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.006 -12.701 6.939 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.732 -14.377 6.505 1.00 0.00 H new ATOM 590 N MET A 40 5.768 -12.583 4.028 1.00 0.00 N ATOM 591 CA MET A 40 6.792 -12.435 3.008 1.00 0.00 C ATOM 592 C MET A 40 7.852 -11.419 3.440 1.00 0.00 C ATOM 593 O MET A 40 7.526 -10.387 4.024 1.00 0.00 O ATOM 594 CB MET A 40 6.147 -11.975 1.699 1.00 0.00 C ATOM 595 CG MET A 40 5.226 -13.057 1.132 1.00 0.00 C ATOM 596 SD MET A 40 6.198 -14.398 0.467 1.00 0.00 S ATOM 597 CE MET A 40 5.523 -14.481 -1.183 1.00 0.00 C ATOM 0 H MET A 40 4.895 -12.093 3.830 1.00 0.00 H new ATOM 0 HA MET A 40 7.277 -13.400 2.864 1.00 0.00 H new ATOM 0 HB2 MET A 40 5.578 -11.062 1.871 1.00 0.00 H new ATOM 0 HB3 MET A 40 6.923 -11.735 0.972 1.00 0.00 H new ATOM 0 HG2 MET A 40 4.564 -13.429 1.914 1.00 0.00 H new ATOM 0 HG3 MET A 40 4.592 -12.635 0.352 1.00 0.00 H new ATOM 0 HE1 MET A 40 6.319 -14.713 -1.891 1.00 0.00 H new ATOM 0 HE2 MET A 40 4.762 -15.260 -1.226 1.00 0.00 H new ATOM 0 HE3 MET A 40 5.076 -13.521 -1.442 1.00 0.00 H new ATOM 607 N GLY A 41 9.099 -11.747 3.134 1.00 0.00 N ATOM 608 CA GLY A 41 10.208 -10.876 3.483 1.00 0.00 C ATOM 609 C GLY A 41 10.317 -9.707 2.502 1.00 0.00 C ATOM 610 O GLY A 41 10.952 -8.697 2.802 1.00 0.00 O ATOM 0 H GLY A 41 9.365 -12.604 2.648 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.071 -10.495 4.495 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.137 -11.446 3.480 1.00 0.00 H new ATOM 614 N PHE A 42 9.688 -9.883 1.349 1.00 0.00 N ATOM 615 CA PHE A 42 9.707 -8.855 0.322 1.00 0.00 C ATOM 616 C PHE A 42 8.296 -8.334 0.043 1.00 0.00 C ATOM 617 O PHE A 42 7.310 -8.970 0.412 1.00 0.00 O ATOM 618 CB PHE A 42 10.258 -9.503 -0.950 1.00 0.00 C ATOM 619 CG PHE A 42 9.709 -10.905 -1.223 1.00 0.00 C ATOM 620 CD1 PHE A 42 8.373 -11.090 -1.396 1.00 0.00 C ATOM 621 CD2 PHE A 42 10.556 -11.966 -1.291 1.00 0.00 C ATOM 622 CE1 PHE A 42 7.863 -12.391 -1.650 1.00 0.00 C ATOM 623 CE2 PHE A 42 10.046 -13.267 -1.544 1.00 0.00 C ATOM 624 CZ PHE A 42 8.710 -13.452 -1.718 1.00 0.00 C ATOM 0 H PHE A 42 9.162 -10.722 1.103 1.00 0.00 H new ATOM 0 HA PHE A 42 10.319 -8.014 0.649 1.00 0.00 H new ATOM 0 HB2 PHE A 42 10.028 -8.862 -1.801 1.00 0.00 H new ATOM 0 HB3 PHE A 42 11.344 -9.557 -0.876 1.00 0.00 H new ATOM 0 HD1 PHE A 42 7.700 -10.247 -1.340 1.00 0.00 H new ATOM 0 HD2 PHE A 42 11.617 -11.820 -1.153 1.00 0.00 H new ATOM 0 HE1 PHE A 42 6.802 -12.537 -1.789 1.00 0.00 H new ATOM 0 HE2 PHE A 42 10.719 -14.110 -1.598 1.00 0.00 H new ATOM 0 HZ PHE A 42 8.322 -14.441 -1.910 1.00 0.00 H new ATOM 634 N PRO A 43 8.242 -7.149 -0.623 1.00 0.00 N ATOM 635 CA PRO A 43 6.968 -6.535 -0.956 1.00 0.00 C ATOM 636 C PRO A 43 6.296 -7.261 -2.123 1.00 0.00 C ATOM 637 O PRO A 43 6.869 -7.364 -3.206 1.00 0.00 O ATOM 638 CB PRO A 43 7.301 -5.085 -1.271 1.00 0.00 C ATOM 639 CG PRO A 43 8.793 -5.053 -1.556 1.00 0.00 C ATOM 640 CD PRO A 43 9.388 -6.367 -1.076 1.00 0.00 C ATOM 0 HA PRO A 43 6.246 -6.597 -0.142 1.00 0.00 H new ATOM 0 HB2 PRO A 43 6.731 -4.731 -2.130 1.00 0.00 H new ATOM 0 HB3 PRO A 43 7.049 -4.435 -0.433 1.00 0.00 H new ATOM 0 HG2 PRO A 43 8.975 -4.919 -2.622 1.00 0.00 H new ATOM 0 HG3 PRO A 43 9.261 -4.212 -1.044 1.00 0.00 H new ATOM 0 HD2 PRO A 43 9.923 -6.876 -1.878 1.00 0.00 H new ATOM 0 HD3 PRO A 43 10.102 -6.207 -0.268 1.00 0.00 H new ATOM 648 N VAL A 44 5.091 -7.746 -1.862 1.00 0.00 N ATOM 649 CA VAL A 44 4.336 -8.460 -2.877 1.00 0.00 C ATOM 650 C VAL A 44 3.231 -7.550 -3.418 1.00 0.00 C ATOM 651 O VAL A 44 2.786 -6.632 -2.731 1.00 0.00 O ATOM 652 CB VAL A 44 3.801 -9.774 -2.304 1.00 0.00 C ATOM 653 CG1 VAL A 44 3.206 -10.651 -3.407 1.00 0.00 C ATOM 654 CG2 VAL A 44 4.893 -10.523 -1.537 1.00 0.00 C ATOM 0 H VAL A 44 4.619 -7.658 -0.962 1.00 0.00 H new ATOM 0 HA VAL A 44 4.979 -8.725 -3.716 1.00 0.00 H new ATOM 0 HB VAL A 44 3.004 -9.533 -1.601 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.833 -11.579 -2.973 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.385 -10.121 -3.890 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.975 -10.879 -4.145 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.486 -11.453 -1.140 1.00 0.00 H new ATOM 0 HG22 VAL A 44 5.721 -10.747 -2.209 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.250 -9.903 -0.715 1.00 0.00 H new ATOM 664 N LYS A 45 2.821 -7.837 -4.645 1.00 0.00 N ATOM 665 CA LYS A 45 1.777 -7.056 -5.286 1.00 0.00 C ATOM 666 C LYS A 45 0.575 -6.949 -4.345 1.00 0.00 C ATOM 667 O LYS A 45 0.477 -7.694 -3.371 1.00 0.00 O ATOM 668 CB LYS A 45 1.434 -7.643 -6.657 1.00 0.00 C ATOM 669 CG LYS A 45 0.512 -8.857 -6.519 1.00 0.00 C ATOM 670 CD LYS A 45 0.840 -9.917 -7.572 1.00 0.00 C ATOM 671 CE LYS A 45 -0.311 -10.914 -7.724 1.00 0.00 C ATOM 672 NZ LYS A 45 0.203 -12.242 -8.124 1.00 0.00 N ATOM 0 H LYS A 45 3.193 -8.599 -5.212 1.00 0.00 H new ATOM 0 HA LYS A 45 2.124 -6.041 -5.477 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.951 -6.883 -7.271 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.350 -7.934 -7.171 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.616 -9.285 -5.522 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.527 -8.543 -6.625 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.037 -9.435 -8.529 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.750 -10.447 -7.289 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.855 -10.996 -6.783 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.018 -10.551 -8.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.561 -12.944 -8.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.551 -12.199 -9.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.981 -12.518 -7.492 1.00 0.00 H new ATOM 686 N VAL A 46 -0.308 -6.016 -4.670 1.00 0.00 N ATOM 687 CA VAL A 46 -1.499 -5.802 -3.865 1.00 0.00 C ATOM 688 C VAL A 46 -2.731 -5.812 -4.773 1.00 0.00 C ATOM 689 O VAL A 46 -2.957 -4.868 -5.529 1.00 0.00 O ATOM 690 CB VAL A 46 -1.361 -4.509 -3.059 1.00 0.00 C ATOM 691 CG1 VAL A 46 -2.668 -4.169 -2.340 1.00 0.00 C ATOM 692 CG2 VAL A 46 -0.198 -4.602 -2.070 1.00 0.00 C ATOM 0 H VAL A 46 -0.223 -5.400 -5.479 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.621 -6.608 -3.142 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.143 -3.700 -3.757 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.543 -3.246 -1.775 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.464 -4.040 -3.074 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.930 -4.979 -1.659 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.121 -3.670 -1.510 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.373 -5.427 -1.380 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.730 -4.775 -2.615 1.00 0.00 H new ATOM 702 N PRO A 47 -3.516 -6.917 -4.666 1.00 0.00 N ATOM 703 CA PRO A 47 -4.718 -7.062 -5.468 1.00 0.00 C ATOM 704 C PRO A 47 -5.842 -6.171 -4.936 1.00 0.00 C ATOM 705 O PRO A 47 -6.756 -6.651 -4.268 1.00 0.00 O ATOM 706 CB PRO A 47 -5.056 -8.543 -5.408 1.00 0.00 C ATOM 707 CG PRO A 47 -4.306 -9.092 -4.205 1.00 0.00 C ATOM 708 CD PRO A 47 -3.279 -8.055 -3.782 1.00 0.00 C ATOM 0 HA PRO A 47 -4.576 -6.741 -6.500 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -6.130 -8.695 -5.301 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -4.752 -9.051 -6.323 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.996 -9.301 -3.388 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -3.817 -10.033 -4.457 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.405 -7.777 -2.736 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.264 -8.436 -3.890 1.00 0.00 H new ATOM 716 N TYR A 48 -5.738 -4.889 -5.254 1.00 0.00 N ATOM 717 CA TYR A 48 -6.735 -3.926 -4.817 1.00 0.00 C ATOM 718 C TYR A 48 -8.136 -4.346 -5.264 1.00 0.00 C ATOM 719 O TYR A 48 -9.113 -4.121 -4.550 1.00 0.00 O ATOM 720 CB TYR A 48 -6.370 -2.604 -5.496 1.00 0.00 C ATOM 721 CG TYR A 48 -4.953 -2.117 -5.190 1.00 0.00 C ATOM 722 CD1 TYR A 48 -4.636 -1.666 -3.924 1.00 0.00 C ATOM 723 CD2 TYR A 48 -3.991 -2.129 -6.179 1.00 0.00 C ATOM 724 CE1 TYR A 48 -3.302 -1.208 -3.636 1.00 0.00 C ATOM 725 CE2 TYR A 48 -2.656 -1.670 -5.891 1.00 0.00 C ATOM 726 CZ TYR A 48 -2.378 -1.233 -4.634 1.00 0.00 C ATOM 727 OH TYR A 48 -1.118 -0.800 -4.361 1.00 0.00 O ATOM 0 H TYR A 48 -4.979 -4.495 -5.809 1.00 0.00 H new ATOM 0 HA TYR A 48 -6.744 -3.849 -3.730 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -6.478 -2.719 -6.574 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -7.081 -1.839 -5.184 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -5.389 -1.657 -3.150 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -4.239 -2.482 -7.169 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -3.041 -0.853 -2.650 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -1.894 -1.673 -6.656 1.00 0.00 H new ATOM 0 HH TYR A 48 -0.565 -0.875 -5.166 1.00 0.00 H new ATOM 737 N ARG A 49 -8.191 -4.949 -6.443 1.00 0.00 N ATOM 738 CA ARG A 49 -9.457 -5.402 -6.993 1.00 0.00 C ATOM 739 C ARG A 49 -10.153 -6.349 -6.014 1.00 0.00 C ATOM 740 O ARG A 49 -11.207 -6.022 -5.471 1.00 0.00 O ATOM 741 CB ARG A 49 -9.251 -6.121 -8.328 1.00 0.00 C ATOM 742 CG ARG A 49 -10.591 -6.512 -8.953 1.00 0.00 C ATOM 743 CD ARG A 49 -10.783 -5.831 -10.310 1.00 0.00 C ATOM 744 NE ARG A 49 -11.365 -6.788 -11.278 1.00 0.00 N ATOM 745 CZ ARG A 49 -11.246 -6.676 -12.608 1.00 0.00 C ATOM 746 NH1 ARG A 49 -10.566 -5.650 -13.136 1.00 0.00 N ATOM 747 NH2 ARG A 49 -11.807 -7.592 -13.410 1.00 0.00 N ATOM 0 H ARG A 49 -7.379 -5.134 -7.032 1.00 0.00 H new ATOM 0 HA ARG A 49 -10.080 -4.523 -7.158 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -8.702 -5.474 -9.012 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -8.643 -7.013 -8.175 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.637 -7.594 -9.075 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -11.404 -6.232 -8.283 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -11.437 -4.966 -10.203 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -9.826 -5.463 -10.680 1.00 0.00 H new ATOM 0 HE ARG A 49 -11.889 -7.582 -10.910 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -10.138 -4.954 -12.526 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -10.476 -5.565 -14.148 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -12.324 -8.374 -13.008 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -11.717 -7.507 -14.422 1.00 0.00 H new ATOM 761 N LYS A 50 -9.535 -7.505 -5.817 1.00 0.00 N ATOM 762 CA LYS A 50 -10.082 -8.502 -4.913 1.00 0.00 C ATOM 763 C LYS A 50 -10.506 -7.823 -3.609 1.00 0.00 C ATOM 764 O LYS A 50 -11.624 -8.021 -3.137 1.00 0.00 O ATOM 765 CB LYS A 50 -9.088 -9.648 -4.714 1.00 0.00 C ATOM 766 CG LYS A 50 -9.195 -10.669 -5.848 1.00 0.00 C ATOM 767 CD LYS A 50 -7.817 -11.223 -6.219 1.00 0.00 C ATOM 768 CE LYS A 50 -7.833 -11.838 -7.619 1.00 0.00 C ATOM 769 NZ LYS A 50 -6.875 -11.139 -8.504 1.00 0.00 N ATOM 0 H LYS A 50 -8.660 -7.773 -6.268 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.975 -8.956 -5.342 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.074 -9.251 -4.672 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.279 -10.138 -3.759 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.850 -11.486 -5.546 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.650 -10.202 -6.721 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.077 -10.424 -6.177 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.515 -11.976 -5.491 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.578 -12.896 -7.561 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.837 -11.775 -8.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -6.899 -11.570 -9.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.136 -10.135 -8.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.916 -11.221 -8.111 1.00 0.00 H new ATOM 783 N ILE A 51 -9.590 -7.035 -3.064 1.00 0.00 N ATOM 784 CA ILE A 51 -9.856 -6.326 -1.824 1.00 0.00 C ATOM 785 C ILE A 51 -11.064 -5.407 -2.015 1.00 0.00 C ATOM 786 O ILE A 51 -11.827 -5.176 -1.079 1.00 0.00 O ATOM 787 CB ILE A 51 -8.599 -5.597 -1.344 1.00 0.00 C ATOM 788 CG1 ILE A 51 -7.700 -6.531 -0.531 1.00 0.00 C ATOM 789 CG2 ILE A 51 -8.963 -4.331 -0.566 1.00 0.00 C ATOM 790 CD1 ILE A 51 -6.267 -6.514 -1.065 1.00 0.00 C ATOM 0 H ILE A 51 -8.664 -6.872 -3.458 1.00 0.00 H new ATOM 0 HA ILE A 51 -10.112 -7.029 -1.031 1.00 0.00 H new ATOM 0 HB ILE A 51 -8.030 -5.284 -2.220 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.706 -6.227 0.516 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.094 -7.546 -0.570 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.052 -3.832 -0.236 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.532 -3.660 -1.209 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.565 -4.598 0.303 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.649 -7.186 -0.470 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -6.262 -6.842 -2.105 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.867 -5.502 -1.002 1.00 0.00 H new ATOM 802 N THR A 52 -11.200 -4.908 -3.235 1.00 0.00 N ATOM 803 CA THR A 52 -12.302 -4.019 -3.562 1.00 0.00 C ATOM 804 C THR A 52 -13.624 -4.790 -3.568 1.00 0.00 C ATOM 805 O THR A 52 -14.480 -4.567 -2.713 1.00 0.00 O ATOM 806 CB THR A 52 -11.986 -3.345 -4.898 1.00 0.00 C ATOM 807 OG1 THR A 52 -11.794 -1.974 -4.558 1.00 0.00 O ATOM 808 CG2 THR A 52 -13.188 -3.329 -5.845 1.00 0.00 C ATOM 0 H THR A 52 -10.565 -5.103 -4.009 1.00 0.00 H new ATOM 0 HA THR A 52 -12.419 -3.240 -2.809 1.00 0.00 H new ATOM 0 HB THR A 52 -11.154 -3.861 -5.377 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.583 -1.463 -5.367 1.00 0.00 H new ATOM 0 HG21 THR A 52 -12.909 -2.839 -6.778 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.502 -4.352 -6.052 1.00 0.00 H new ATOM 0 HG23 THR A 52 -14.010 -2.784 -5.381 1.00 0.00 H new ATOM 816 N ILE A 53 -13.749 -5.680 -4.541 1.00 0.00 N ATOM 817 CA ILE A 53 -14.953 -6.484 -4.670 1.00 0.00 C ATOM 818 C ILE A 53 -15.339 -7.038 -3.297 1.00 0.00 C ATOM 819 O ILE A 53 -16.518 -7.067 -2.945 1.00 0.00 O ATOM 820 CB ILE A 53 -14.764 -7.563 -5.738 1.00 0.00 C ATOM 821 CG1 ILE A 53 -13.523 -8.409 -5.449 1.00 0.00 C ATOM 822 CG2 ILE A 53 -14.725 -6.948 -7.138 1.00 0.00 C ATOM 823 CD1 ILE A 53 -13.178 -9.303 -6.643 1.00 0.00 C ATOM 0 H ILE A 53 -13.037 -5.862 -5.248 1.00 0.00 H new ATOM 0 HA ILE A 53 -15.787 -5.871 -5.013 1.00 0.00 H new ATOM 0 HB ILE A 53 -15.624 -8.231 -5.704 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -12.679 -7.757 -5.222 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -13.696 -9.025 -4.567 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -14.590 -7.737 -7.878 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -15.661 -6.425 -7.332 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -13.896 -6.243 -7.203 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -12.292 -9.894 -6.411 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -14.014 -9.970 -6.852 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -12.982 -8.683 -7.517 1.00 0.00 H new ATOM 835 N ASN A 54 -14.325 -7.465 -2.560 1.00 0.00 N ATOM 836 CA ASN A 54 -14.544 -8.017 -1.234 1.00 0.00 C ATOM 837 C ASN A 54 -13.195 -8.214 -0.539 1.00 0.00 C ATOM 838 O ASN A 54 -12.338 -8.943 -1.034 1.00 0.00 O ATOM 839 CB ASN A 54 -15.239 -9.378 -1.311 1.00 0.00 C ATOM 840 CG ASN A 54 -14.281 -10.454 -1.827 1.00 0.00 C ATOM 841 OD1 ASN A 54 -13.511 -11.043 -1.085 1.00 0.00 O ATOM 842 ND2 ASN A 54 -14.371 -10.677 -3.135 1.00 0.00 N ATOM 0 H ASN A 54 -13.349 -7.440 -2.856 1.00 0.00 H new ATOM 0 HA ASN A 54 -15.174 -7.321 -0.680 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -15.609 -9.658 -0.325 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -16.105 -9.311 -1.969 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -13.774 -11.377 -3.575 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -15.037 -10.148 -3.698 1.00 0.00 H new ATOM 849 N PRO A 55 -13.046 -7.533 0.629 1.00 0.00 N ATOM 850 CA PRO A 55 -11.816 -7.625 1.397 1.00 0.00 C ATOM 851 C PRO A 55 -11.726 -8.967 2.128 1.00 0.00 C ATOM 852 O PRO A 55 -10.631 -9.443 2.426 1.00 0.00 O ATOM 853 CB PRO A 55 -11.852 -6.435 2.342 1.00 0.00 C ATOM 854 CG PRO A 55 -13.304 -5.988 2.394 1.00 0.00 C ATOM 855 CD PRO A 55 -14.040 -6.660 1.246 1.00 0.00 C ATOM 0 HA PRO A 55 -10.925 -7.592 0.770 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -11.493 -6.712 3.333 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -11.209 -5.632 1.983 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -13.754 -6.262 3.348 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -13.373 -4.904 2.309 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -14.898 -7.228 1.605 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -14.419 -5.926 0.535 1.00 0.00 H new ATOM 863 N GLY A 56 -12.891 -9.538 2.395 1.00 0.00 N ATOM 864 CA GLY A 56 -12.957 -10.815 3.085 1.00 0.00 C ATOM 865 C GLY A 56 -11.594 -11.510 3.085 1.00 0.00 C ATOM 866 O GLY A 56 -11.004 -11.728 4.142 1.00 0.00 O ATOM 0 H GLY A 56 -13.797 -9.140 2.146 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -13.290 -10.661 4.111 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -13.696 -11.455 2.603 1.00 0.00 H new ATOM 870 N CYS A 57 -11.133 -11.838 1.887 1.00 0.00 N ATOM 871 CA CYS A 57 -9.850 -12.504 1.735 1.00 0.00 C ATOM 872 C CYS A 57 -8.784 -11.656 2.431 1.00 0.00 C ATOM 873 O CYS A 57 -8.448 -11.902 3.588 1.00 0.00 O ATOM 874 CB CYS A 57 -9.512 -12.751 0.263 1.00 0.00 C ATOM 875 SG CYS A 57 -10.610 -14.044 -0.423 1.00 0.00 S ATOM 0 H CYS A 57 -11.625 -11.655 1.012 1.00 0.00 H new ATOM 0 HA CYS A 57 -9.891 -13.489 2.200 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -9.625 -11.827 -0.305 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -8.471 -13.058 0.167 1.00 0.00 H new ATOM 0 HG CYS A 57 -10.794 -13.829 -1.692 1.00 0.00 H new ATOM 881 N VAL A 58 -8.281 -10.675 1.696 1.00 0.00 N ATOM 882 CA VAL A 58 -7.259 -9.789 2.228 1.00 0.00 C ATOM 883 C VAL A 58 -7.918 -8.507 2.740 1.00 0.00 C ATOM 884 O VAL A 58 -8.712 -7.888 2.033 1.00 0.00 O ATOM 885 CB VAL A 58 -6.188 -9.529 1.167 1.00 0.00 C ATOM 886 CG1 VAL A 58 -5.365 -8.286 1.512 1.00 0.00 C ATOM 887 CG2 VAL A 58 -5.285 -10.751 0.988 1.00 0.00 C ATOM 0 H VAL A 58 -8.562 -10.474 0.736 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.753 -10.254 3.074 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.694 -9.344 0.219 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.611 -8.124 0.742 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -6.022 -7.418 1.565 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.875 -8.430 2.475 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.533 -10.539 0.228 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.792 -10.981 1.933 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.886 -11.605 0.675 1.00 0.00 H new ATOM 897 N VAL A 59 -7.564 -8.145 3.964 1.00 0.00 N ATOM 898 CA VAL A 59 -8.111 -6.948 4.579 1.00 0.00 C ATOM 899 C VAL A 59 -7.038 -5.857 4.605 1.00 0.00 C ATOM 900 O VAL A 59 -5.867 -6.128 4.343 1.00 0.00 O ATOM 901 CB VAL A 59 -8.662 -7.277 5.968 1.00 0.00 C ATOM 902 CG1 VAL A 59 -9.276 -6.038 6.622 1.00 0.00 C ATOM 903 CG2 VAL A 59 -9.677 -8.420 5.898 1.00 0.00 C ATOM 0 H VAL A 59 -6.904 -8.660 4.547 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.948 -6.567 3.994 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.829 -7.606 6.590 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.660 -6.300 7.608 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.515 -5.265 6.723 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -10.092 -5.666 6.002 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -10.053 -8.634 6.898 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.506 -8.131 5.252 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.195 -9.310 5.493 1.00 0.00 H new ATOM 913 N VAL A 60 -7.476 -4.648 4.922 1.00 0.00 N ATOM 914 CA VAL A 60 -6.568 -3.516 4.985 1.00 0.00 C ATOM 915 C VAL A 60 -6.993 -2.590 6.127 1.00 0.00 C ATOM 916 O VAL A 60 -8.128 -2.118 6.158 1.00 0.00 O ATOM 917 CB VAL A 60 -6.517 -2.809 3.629 1.00 0.00 C ATOM 918 CG1 VAL A 60 -5.770 -1.478 3.732 1.00 0.00 C ATOM 919 CG2 VAL A 60 -5.888 -3.710 2.565 1.00 0.00 C ATOM 0 H VAL A 60 -8.448 -4.428 5.138 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.553 -3.852 5.199 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.541 -2.595 3.324 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.748 -0.996 2.754 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.279 -0.829 4.445 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.750 -1.659 4.070 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.864 -3.184 1.611 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.872 -3.969 2.862 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.480 -4.620 2.463 1.00 0.00 H new ATOM 929 N ASP A 61 -6.058 -2.357 7.036 1.00 0.00 N ATOM 930 CA ASP A 61 -6.322 -1.495 8.177 1.00 0.00 C ATOM 931 C ASP A 61 -5.324 -0.335 8.175 1.00 0.00 C ATOM 932 O ASP A 61 -4.411 -0.298 7.352 1.00 0.00 O ATOM 933 CB ASP A 61 -6.157 -2.258 9.493 1.00 0.00 C ATOM 934 CG ASP A 61 -7.403 -3.012 9.963 1.00 0.00 C ATOM 935 OD1 ASP A 61 -7.890 -3.850 9.174 1.00 0.00 O ATOM 936 OD2 ASP A 61 -7.840 -2.732 11.100 1.00 0.00 O ATOM 0 H ASP A 61 -5.117 -2.749 7.006 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.347 -1.132 8.096 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.339 -2.970 9.383 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.863 -1.553 10.270 1.00 0.00 H new ATOM 941 N GLY A 62 -5.532 0.583 9.107 1.00 0.00 N ATOM 942 CA GLY A 62 -4.663 1.742 9.224 1.00 0.00 C ATOM 943 C GLY A 62 -5.155 2.888 8.338 1.00 0.00 C ATOM 944 O GLY A 62 -4.817 4.047 8.572 1.00 0.00 O ATOM 0 H GLY A 62 -6.290 0.548 9.789 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -4.627 2.070 10.263 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.647 1.469 8.940 1.00 0.00 H new ATOM 948 N MET A 63 -5.947 2.524 7.339 1.00 0.00 N ATOM 949 CA MET A 63 -6.489 3.508 6.418 1.00 0.00 C ATOM 950 C MET A 63 -6.935 4.768 7.161 1.00 0.00 C ATOM 951 O MET A 63 -7.432 4.688 8.283 1.00 0.00 O ATOM 952 CB MET A 63 -7.681 2.906 5.672 1.00 0.00 C ATOM 953 CG MET A 63 -7.253 2.350 4.312 1.00 0.00 C ATOM 954 SD MET A 63 -7.950 3.341 3.001 1.00 0.00 S ATOM 955 CE MET A 63 -6.494 3.602 2.002 1.00 0.00 C ATOM 0 H MET A 63 -6.226 1.562 7.148 1.00 0.00 H new ATOM 0 HA MET A 63 -5.708 3.785 5.710 1.00 0.00 H new ATOM 0 HB2 MET A 63 -8.125 2.111 6.271 1.00 0.00 H new ATOM 0 HB3 MET A 63 -8.449 3.667 5.532 1.00 0.00 H new ATOM 0 HG2 MET A 63 -6.166 2.346 4.237 1.00 0.00 H new ATOM 0 HG3 MET A 63 -7.583 1.316 4.212 1.00 0.00 H new ATOM 0 HE1 MET A 63 -6.717 4.321 1.214 1.00 0.00 H new ATOM 0 HE2 MET A 63 -5.688 3.987 2.627 1.00 0.00 H new ATOM 0 HE3 MET A 63 -6.186 2.657 1.554 1.00 0.00 H new ATOM 965 N PRO A 64 -6.737 5.933 6.488 1.00 0.00 N ATOM 966 CA PRO A 64 -7.113 7.209 7.072 1.00 0.00 C ATOM 967 C PRO A 64 -8.630 7.404 7.032 1.00 0.00 C ATOM 968 O PRO A 64 -9.347 6.604 6.433 1.00 0.00 O ATOM 969 CB PRO A 64 -6.359 8.251 6.262 1.00 0.00 C ATOM 970 CG PRO A 64 -5.956 7.562 4.968 1.00 0.00 C ATOM 971 CD PRO A 64 -6.151 6.066 5.157 1.00 0.00 C ATOM 0 HA PRO A 64 -6.853 7.281 8.128 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.986 9.120 6.063 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.483 8.608 6.804 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.562 7.924 4.138 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.917 7.784 4.725 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -6.808 5.653 4.392 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -5.204 5.531 5.086 1.00 0.00 H new ATOM 979 N PRO A 65 -9.086 8.501 7.695 1.00 0.00 N ATOM 980 CA PRO A 65 -10.505 8.811 7.741 1.00 0.00 C ATOM 981 C PRO A 65 -10.986 9.377 6.404 1.00 0.00 C ATOM 982 O PRO A 65 -10.263 10.125 5.746 1.00 0.00 O ATOM 983 CB PRO A 65 -10.655 9.794 8.891 1.00 0.00 C ATOM 984 CG PRO A 65 -9.265 10.353 9.146 1.00 0.00 C ATOM 985 CD PRO A 65 -8.266 9.470 8.416 1.00 0.00 C ATOM 0 HA PRO A 65 -11.124 7.929 7.905 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -11.355 10.590 8.636 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -11.046 9.299 9.780 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -9.196 11.381 8.791 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -9.050 10.370 10.215 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -7.648 10.052 7.733 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -7.590 8.976 9.114 1.00 0.00 H new ATOM 993 N GLY A 66 -12.202 8.999 6.040 1.00 0.00 N ATOM 994 CA GLY A 66 -12.788 9.459 4.793 1.00 0.00 C ATOM 995 C GLY A 66 -11.853 9.185 3.614 1.00 0.00 C ATOM 996 O GLY A 66 -11.736 10.006 2.705 1.00 0.00 O ATOM 0 H GLY A 66 -12.798 8.379 6.588 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.742 8.958 4.629 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -12.995 10.527 4.857 1.00 0.00 H new ATOM 1000 N VAL A 67 -11.210 8.028 3.666 1.00 0.00 N ATOM 1001 CA VAL A 67 -10.289 7.635 2.613 1.00 0.00 C ATOM 1002 C VAL A 67 -10.490 6.153 2.292 1.00 0.00 C ATOM 1003 O VAL A 67 -10.388 5.303 3.175 1.00 0.00 O ATOM 1004 CB VAL A 67 -8.853 7.968 3.024 1.00 0.00 C ATOM 1005 CG1 VAL A 67 -7.849 7.399 2.019 1.00 0.00 C ATOM 1006 CG2 VAL A 67 -8.666 9.477 3.191 1.00 0.00 C ATOM 0 H VAL A 67 -11.309 7.350 4.421 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.491 8.195 1.700 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.664 7.498 3.989 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.836 7.650 2.335 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.956 6.315 1.971 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.038 7.826 1.034 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.637 9.686 3.483 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.884 9.977 2.247 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.344 9.845 3.962 1.00 0.00 H new ATOM 1016 N SER A 68 -10.773 5.888 1.024 1.00 0.00 N ATOM 1017 CA SER A 68 -10.990 4.524 0.575 1.00 0.00 C ATOM 1018 C SER A 68 -9.692 3.948 0.004 1.00 0.00 C ATOM 1019 O SER A 68 -8.929 4.659 -0.649 1.00 0.00 O ATOM 1020 CB SER A 68 -12.105 4.459 -0.470 1.00 0.00 C ATOM 1021 OG SER A 68 -12.316 5.718 -1.104 1.00 0.00 O ATOM 0 H SER A 68 -10.857 6.596 0.294 1.00 0.00 H new ATOM 0 HA SER A 68 -11.298 3.926 1.433 1.00 0.00 H new ATOM 0 HB2 SER A 68 -11.854 3.712 -1.223 1.00 0.00 H new ATOM 0 HB3 SER A 68 -13.030 4.133 0.006 1.00 0.00 H new ATOM 0 HG SER A 68 -13.034 5.635 -1.766 1.00 0.00 H new ATOM 1027 N PHE A 69 -9.483 2.667 0.270 1.00 0.00 N ATOM 1028 CA PHE A 69 -8.291 1.989 -0.210 1.00 0.00 C ATOM 1029 C PHE A 69 -8.471 1.520 -1.655 1.00 0.00 C ATOM 1030 O PHE A 69 -9.514 0.973 -2.009 1.00 0.00 O ATOM 1031 CB PHE A 69 -8.080 0.767 0.687 1.00 0.00 C ATOM 1032 CG PHE A 69 -7.050 -0.228 0.151 1.00 0.00 C ATOM 1033 CD1 PHE A 69 -5.730 0.101 0.134 1.00 0.00 C ATOM 1034 CD2 PHE A 69 -7.453 -1.443 -0.309 1.00 0.00 C ATOM 1035 CE1 PHE A 69 -4.774 -0.823 -0.364 1.00 0.00 C ATOM 1036 CE2 PHE A 69 -6.497 -2.367 -0.807 1.00 0.00 C ATOM 1037 CZ PHE A 69 -5.178 -2.037 -0.824 1.00 0.00 C ATOM 0 H PHE A 69 -10.119 2.081 0.811 1.00 0.00 H new ATOM 0 HA PHE A 69 -7.439 2.668 -0.180 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.765 1.104 1.674 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -9.033 0.254 0.815 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.409 1.065 0.499 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.501 -1.705 -0.295 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -3.726 -0.562 -0.377 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.817 -3.332 -1.172 1.00 0.00 H new ATOM 0 HZ PHE A 69 -4.451 -2.740 -1.203 1.00 0.00 H new ATOM 1047 N LYS A 70 -7.438 1.753 -2.452 1.00 0.00 N ATOM 1048 CA LYS A 70 -7.469 1.362 -3.851 1.00 0.00 C ATOM 1049 C LYS A 70 -6.127 1.704 -4.501 1.00 0.00 C ATOM 1050 O LYS A 70 -5.269 2.323 -3.874 1.00 0.00 O ATOM 1051 CB LYS A 70 -8.672 1.990 -4.556 1.00 0.00 C ATOM 1052 CG LYS A 70 -8.619 3.517 -4.475 1.00 0.00 C ATOM 1053 CD LYS A 70 -9.981 4.131 -4.806 1.00 0.00 C ATOM 1054 CE LYS A 70 -11.018 3.774 -3.739 1.00 0.00 C ATOM 1055 NZ LYS A 70 -12.180 3.094 -4.352 1.00 0.00 N ATOM 0 H LYS A 70 -6.574 2.208 -2.155 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.603 0.284 -3.943 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.690 1.678 -5.600 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.594 1.630 -4.100 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -8.312 3.821 -3.474 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.867 3.896 -5.168 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.887 5.215 -4.879 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -10.318 3.774 -5.779 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -10.566 3.128 -2.987 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -11.347 4.678 -3.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -12.874 2.859 -3.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -12.620 3.723 -5.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.864 2.221 -4.821 1.00 0.00 H new ATOM 1069 N ALA A 71 -5.987 1.285 -5.750 1.00 0.00 N ATOM 1070 CA ALA A 71 -4.764 1.539 -6.493 1.00 0.00 C ATOM 1071 C ALA A 71 -4.442 3.034 -6.440 1.00 0.00 C ATOM 1072 O ALA A 71 -5.344 3.863 -6.331 1.00 0.00 O ATOM 1073 CB ALA A 71 -4.920 1.026 -7.925 1.00 0.00 C ATOM 0 H ALA A 71 -6.701 0.771 -6.267 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.925 1.005 -6.046 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.003 1.217 -8.482 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -5.118 -0.046 -7.908 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.751 1.541 -8.407 1.00 0.00 H new ATOM 1079 N PRO A 72 -3.120 3.340 -6.523 1.00 0.00 N ATOM 1080 CA PRO A 72 -2.668 4.720 -6.486 1.00 0.00 C ATOM 1081 C PRO A 72 -2.949 5.425 -7.815 1.00 0.00 C ATOM 1082 O PRO A 72 -2.734 6.629 -7.940 1.00 0.00 O ATOM 1083 CB PRO A 72 -1.185 4.640 -6.159 1.00 0.00 C ATOM 1084 CG PRO A 72 -0.764 3.216 -6.482 1.00 0.00 C ATOM 1085 CD PRO A 72 -2.024 2.384 -6.653 1.00 0.00 C ATOM 0 HA PRO A 72 -3.196 5.315 -5.741 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -0.616 5.359 -6.748 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -1.003 4.873 -5.110 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.165 3.192 -7.392 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -0.145 2.810 -5.682 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -2.043 1.889 -7.624 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -2.088 1.603 -5.896 1.00 0.00 H new ATOM 1093 N SER A 73 -3.426 4.644 -8.773 1.00 0.00 N ATOM 1094 CA SER A 73 -3.739 5.178 -10.087 1.00 0.00 C ATOM 1095 C SER A 73 -5.040 5.980 -10.030 1.00 0.00 C ATOM 1096 O SER A 73 -5.198 6.966 -10.749 1.00 0.00 O ATOM 1097 CB SER A 73 -3.851 4.058 -11.124 1.00 0.00 C ATOM 1098 OG SER A 73 -4.756 3.038 -10.713 1.00 0.00 O ATOM 0 H SER A 73 -3.603 3.645 -8.665 1.00 0.00 H new ATOM 0 HA SER A 73 -2.926 5.838 -10.390 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.183 4.476 -12.074 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.867 3.622 -11.294 1.00 0.00 H new ATOM 0 HG SER A 73 -4.801 2.343 -11.402 1.00 0.00 H new ATOM 1104 N TYR A 74 -5.939 5.528 -9.168 1.00 0.00 N ATOM 1105 CA TYR A 74 -7.222 6.191 -9.007 1.00 0.00 C ATOM 1106 C TYR A 74 -7.155 7.256 -7.910 1.00 0.00 C ATOM 1107 O TYR A 74 -7.757 8.321 -8.037 1.00 0.00 O ATOM 1108 CB TYR A 74 -8.210 5.102 -8.585 1.00 0.00 C ATOM 1109 CG TYR A 74 -8.309 3.936 -9.570 1.00 0.00 C ATOM 1110 CD1 TYR A 74 -8.306 4.178 -10.929 1.00 0.00 C ATOM 1111 CD2 TYR A 74 -8.402 2.642 -9.100 1.00 0.00 C ATOM 1112 CE1 TYR A 74 -8.400 3.081 -11.856 1.00 0.00 C ATOM 1113 CE2 TYR A 74 -8.495 1.544 -10.028 1.00 0.00 C ATOM 1114 CZ TYR A 74 -8.490 1.818 -11.360 1.00 0.00 C ATOM 1115 OH TYR A 74 -8.578 0.781 -12.236 1.00 0.00 O ATOM 0 H TYR A 74 -5.804 4.710 -8.573 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.517 6.686 -9.932 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.914 4.716 -7.609 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -9.197 5.548 -8.466 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.233 5.191 -11.297 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.405 2.452 -8.037 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.399 3.257 -12.922 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.567 0.526 -9.674 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.635 -0.062 -11.740 1.00 0.00 H new ATOM 1125 N LEU A 75 -6.417 6.931 -6.859 1.00 0.00 N ATOM 1126 CA LEU A 75 -6.264 7.846 -5.741 1.00 0.00 C ATOM 1127 C LEU A 75 -5.594 9.132 -6.228 1.00 0.00 C ATOM 1128 O LEU A 75 -4.973 9.149 -7.290 1.00 0.00 O ATOM 1129 CB LEU A 75 -5.523 7.164 -4.589 1.00 0.00 C ATOM 1130 CG LEU A 75 -6.231 5.968 -3.949 1.00 0.00 C ATOM 1131 CD1 LEU A 75 -5.321 5.268 -2.939 1.00 0.00 C ATOM 1132 CD2 LEU A 75 -7.563 6.390 -3.325 1.00 0.00 C ATOM 0 H LEU A 75 -5.919 6.047 -6.758 1.00 0.00 H new ATOM 0 HA LEU A 75 -7.239 8.126 -5.341 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.551 6.832 -4.955 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.335 7.907 -3.814 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.457 5.245 -4.733 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.849 4.422 -2.499 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.423 4.913 -3.444 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.042 5.970 -2.153 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.046 5.522 -2.877 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.383 7.142 -2.557 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.210 6.807 -4.096 1.00 0.00 H new ATOM 1144 N GLU A 76 -5.742 10.178 -5.429 1.00 0.00 N ATOM 1145 CA GLU A 76 -5.159 11.466 -5.765 1.00 0.00 C ATOM 1146 C GLU A 76 -3.900 11.713 -4.931 1.00 0.00 C ATOM 1147 O GLU A 76 -3.599 10.949 -4.015 1.00 0.00 O ATOM 1148 CB GLU A 76 -6.174 12.594 -5.574 1.00 0.00 C ATOM 1149 CG GLU A 76 -7.253 12.551 -6.657 1.00 0.00 C ATOM 1150 CD GLU A 76 -7.483 13.939 -7.258 1.00 0.00 C ATOM 1151 OE1 GLU A 76 -7.615 14.889 -6.457 1.00 0.00 O ATOM 1152 OE2 GLU A 76 -7.521 14.019 -8.505 1.00 0.00 O ATOM 0 H GLU A 76 -6.258 10.160 -4.549 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.876 11.451 -6.818 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.637 12.508 -4.591 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.663 13.556 -5.603 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.957 11.855 -7.442 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.184 12.176 -6.233 1.00 0.00 H new ATOM 1159 N ILE A 77 -3.199 12.782 -5.278 1.00 0.00 N ATOM 1160 CA ILE A 77 -1.980 13.139 -4.572 1.00 0.00 C ATOM 1161 C ILE A 77 -2.280 13.267 -3.077 1.00 0.00 C ATOM 1162 O ILE A 77 -1.595 12.669 -2.250 1.00 0.00 O ATOM 1163 CB ILE A 77 -1.356 14.395 -5.184 1.00 0.00 C ATOM 1164 CG1 ILE A 77 -0.956 14.155 -6.641 1.00 0.00 C ATOM 1165 CG2 ILE A 77 -0.178 14.888 -4.340 1.00 0.00 C ATOM 1166 CD1 ILE A 77 0.094 15.170 -7.096 1.00 0.00 C ATOM 0 H ILE A 77 -3.452 13.413 -6.039 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.232 12.353 -4.681 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.107 15.185 -5.183 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.562 13.145 -6.752 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.836 14.226 -7.280 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.248 15.782 -4.796 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.525 15.124 -3.334 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.583 14.109 -4.288 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.361 14.977 -8.135 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.312 16.178 -7.007 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.982 15.080 -6.471 1.00 0.00 H new ATOM 1178 N SER A 78 -3.305 14.051 -2.777 1.00 0.00 N ATOM 1179 CA SER A 78 -3.704 14.265 -1.396 1.00 0.00 C ATOM 1180 C SER A 78 -3.978 12.922 -0.716 1.00 0.00 C ATOM 1181 O SER A 78 -3.582 12.709 0.429 1.00 0.00 O ATOM 1182 CB SER A 78 -4.940 15.163 -1.313 1.00 0.00 C ATOM 1183 OG SER A 78 -4.592 16.543 -1.227 1.00 0.00 O ATOM 0 H SER A 78 -3.871 14.546 -3.466 1.00 0.00 H new ATOM 0 HA SER A 78 -2.887 14.767 -0.878 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.566 15.001 -2.191 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.533 14.884 -0.442 1.00 0.00 H new ATOM 0 HG SER A 78 -5.408 17.084 -1.177 1.00 0.00 H new ATOM 1189 N SER A 79 -4.653 12.050 -1.451 1.00 0.00 N ATOM 1190 CA SER A 79 -4.985 10.733 -0.933 1.00 0.00 C ATOM 1191 C SER A 79 -3.708 9.993 -0.529 1.00 0.00 C ATOM 1192 O SER A 79 -3.554 9.600 0.626 1.00 0.00 O ATOM 1193 CB SER A 79 -5.768 9.917 -1.964 1.00 0.00 C ATOM 1194 OG SER A 79 -7.055 10.472 -2.218 1.00 0.00 O ATOM 0 H SER A 79 -4.979 12.230 -2.401 1.00 0.00 H new ATOM 0 HA SER A 79 -5.617 10.860 -0.054 1.00 0.00 H new ATOM 0 HB2 SER A 79 -5.203 9.871 -2.895 1.00 0.00 H new ATOM 0 HB3 SER A 79 -5.879 8.893 -1.607 1.00 0.00 H new ATOM 0 HG SER A 79 -7.522 9.924 -2.882 1.00 0.00 H new ATOM 1200 N MET A 80 -2.826 9.826 -1.503 1.00 0.00 N ATOM 1201 CA MET A 80 -1.567 9.140 -1.264 1.00 0.00 C ATOM 1202 C MET A 80 -0.851 9.720 -0.043 1.00 0.00 C ATOM 1203 O MET A 80 -0.501 8.988 0.882 1.00 0.00 O ATOM 1204 CB MET A 80 -0.669 9.275 -2.495 1.00 0.00 C ATOM 1205 CG MET A 80 -1.314 8.620 -3.718 1.00 0.00 C ATOM 1206 SD MET A 80 -0.143 8.555 -5.064 1.00 0.00 S ATOM 1207 CE MET A 80 -0.648 9.999 -5.983 1.00 0.00 C ATOM 0 H MET A 80 -2.958 10.154 -2.460 1.00 0.00 H new ATOM 0 HA MET A 80 -1.779 8.088 -1.073 1.00 0.00 H new ATOM 0 HB2 MET A 80 -0.481 10.329 -2.699 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.298 8.812 -2.297 1.00 0.00 H new ATOM 0 HG2 MET A 80 -1.649 7.613 -3.468 1.00 0.00 H new ATOM 0 HG3 MET A 80 -2.197 9.184 -4.020 1.00 0.00 H new ATOM 0 HE1 MET A 80 -0.609 9.783 -7.051 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.666 10.270 -5.704 1.00 0.00 H new ATOM 0 HE3 MET A 80 0.023 10.828 -5.756 1.00 0.00 H new ATOM 1217 N ARG A 81 -0.654 11.030 -0.079 1.00 0.00 N ATOM 1218 CA ARG A 81 0.015 11.717 1.013 1.00 0.00 C ATOM 1219 C ARG A 81 -0.549 11.252 2.357 1.00 0.00 C ATOM 1220 O ARG A 81 0.206 10.939 3.276 1.00 0.00 O ATOM 1221 CB ARG A 81 -0.152 13.233 0.895 1.00 0.00 C ATOM 1222 CG ARG A 81 0.975 13.845 0.061 1.00 0.00 C ATOM 1223 CD ARG A 81 2.345 13.432 0.603 1.00 0.00 C ATOM 1224 NE ARG A 81 3.357 14.455 0.256 1.00 0.00 N ATOM 1225 CZ ARG A 81 4.608 14.466 0.734 1.00 0.00 C ATOM 1226 NH1 ARG A 81 5.010 13.510 1.583 1.00 0.00 N ATOM 1227 NH2 ARG A 81 5.458 15.434 0.364 1.00 0.00 N ATOM 0 H ARG A 81 -0.946 11.634 -0.847 1.00 0.00 H new ATOM 0 HA ARG A 81 1.076 11.475 0.957 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -1.114 13.462 0.437 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -0.158 13.680 1.889 1.00 0.00 H new ATOM 0 HG2 ARG A 81 0.879 13.525 -0.977 1.00 0.00 H new ATOM 0 HG3 ARG A 81 0.889 14.932 0.069 1.00 0.00 H new ATOM 0 HD2 ARG A 81 2.295 13.310 1.685 1.00 0.00 H new ATOM 0 HD3 ARG A 81 2.634 12.467 0.187 1.00 0.00 H new ATOM 0 HE ARG A 81 3.085 15.198 -0.387 1.00 0.00 H new ATOM 0 HH11 ARG A 81 4.363 12.774 1.865 1.00 0.00 H new ATOM 0 HH12 ARG A 81 5.963 13.519 1.947 1.00 0.00 H new ATOM 0 HH21 ARG A 81 5.152 16.162 -0.281 1.00 0.00 H new ATOM 0 HH22 ARG A 81 6.411 15.443 0.728 1.00 0.00 H new ATOM 1241 N ARG A 82 -1.871 11.221 2.429 1.00 0.00 N ATOM 1242 CA ARG A 82 -2.545 10.799 3.645 1.00 0.00 C ATOM 1243 C ARG A 82 -2.125 9.376 4.019 1.00 0.00 C ATOM 1244 O ARG A 82 -1.483 9.164 5.046 1.00 0.00 O ATOM 1245 CB ARG A 82 -4.065 10.847 3.478 1.00 0.00 C ATOM 1246 CG ARG A 82 -4.542 12.277 3.212 1.00 0.00 C ATOM 1247 CD ARG A 82 -5.882 12.279 2.472 1.00 0.00 C ATOM 1248 NE ARG A 82 -6.719 13.405 2.943 1.00 0.00 N ATOM 1249 CZ ARG A 82 -7.181 13.524 4.195 1.00 0.00 C ATOM 1250 NH1 ARG A 82 -6.890 12.588 5.109 1.00 0.00 N ATOM 1251 NH2 ARG A 82 -7.934 14.580 4.534 1.00 0.00 N ATOM 0 H ARG A 82 -2.494 11.481 1.665 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.256 11.487 4.439 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -4.365 10.200 2.653 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -4.546 10.461 4.377 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -4.643 12.812 4.156 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -3.796 12.809 2.622 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -5.714 12.364 1.398 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -6.401 11.335 2.639 1.00 0.00 H new ATOM 0 HE ARG A 82 -6.959 14.136 2.273 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -6.317 11.785 4.852 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -7.242 12.679 6.062 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -8.155 15.293 3.839 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -8.286 14.671 5.487 1.00 0.00 H new ATOM 1265 N ILE A 83 -2.505 8.437 3.164 1.00 0.00 N ATOM 1266 CA ILE A 83 -2.176 7.041 3.392 1.00 0.00 C ATOM 1267 C ILE A 83 -0.743 6.938 3.918 1.00 0.00 C ATOM 1268 O ILE A 83 -0.492 6.268 4.919 1.00 0.00 O ATOM 1269 CB ILE A 83 -2.427 6.218 2.126 1.00 0.00 C ATOM 1270 CG1 ILE A 83 -3.913 6.214 1.760 1.00 0.00 C ATOM 1271 CG2 ILE A 83 -1.869 4.801 2.274 1.00 0.00 C ATOM 1272 CD1 ILE A 83 -4.108 6.448 0.261 1.00 0.00 C ATOM 0 H ILE A 83 -3.037 8.616 2.313 1.00 0.00 H new ATOM 0 HA ILE A 83 -2.827 6.616 4.156 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.894 6.689 1.301 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.359 5.261 2.044 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.432 6.989 2.323 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -2.061 4.237 1.361 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.795 4.850 2.452 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.354 4.305 3.115 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -5.173 6.441 0.027 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.683 7.413 -0.015 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -3.608 5.658 -0.299 1.00 0.00 H new ATOM 1284 N LEU A 84 0.159 7.612 3.220 1.00 0.00 N ATOM 1285 CA LEU A 84 1.560 7.605 3.605 1.00 0.00 C ATOM 1286 C LEU A 84 1.690 8.087 5.051 1.00 0.00 C ATOM 1287 O LEU A 84 2.353 7.446 5.865 1.00 0.00 O ATOM 1288 CB LEU A 84 2.393 8.416 2.609 1.00 0.00 C ATOM 1289 CG LEU A 84 2.586 7.787 1.228 1.00 0.00 C ATOM 1290 CD1 LEU A 84 3.186 8.795 0.246 1.00 0.00 C ATOM 1291 CD2 LEU A 84 3.421 6.508 1.319 1.00 0.00 C ATOM 0 H LEU A 84 -0.053 8.166 2.390 1.00 0.00 H new ATOM 0 HA LEU A 84 1.960 6.592 3.570 1.00 0.00 H new ATOM 0 HB2 LEU A 84 1.922 9.390 2.480 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.376 8.593 3.046 1.00 0.00 H new ATOM 0 HG LEU A 84 1.607 7.504 0.842 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.313 8.323 -0.728 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.518 9.651 0.150 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.155 9.131 0.616 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.543 6.081 0.323 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.401 6.742 1.736 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.915 5.788 1.963 1.00 0.00 H new ATOM 1303 N ASP A 85 1.047 9.212 5.327 1.00 0.00 N ATOM 1304 CA ASP A 85 1.082 9.786 6.660 1.00 0.00 C ATOM 1305 C ASP A 85 0.656 8.727 7.679 1.00 0.00 C ATOM 1306 O ASP A 85 0.974 8.835 8.862 1.00 0.00 O ATOM 1307 CB ASP A 85 0.118 10.969 6.776 1.00 0.00 C ATOM 1308 CG ASP A 85 0.787 12.340 6.888 1.00 0.00 C ATOM 1309 OD1 ASP A 85 1.762 12.559 6.136 1.00 0.00 O ATOM 1310 OD2 ASP A 85 0.309 13.139 7.722 1.00 0.00 O ATOM 0 H ASP A 85 0.499 9.741 4.649 1.00 0.00 H new ATOM 0 HA ASP A 85 2.099 10.129 6.852 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.537 10.971 5.905 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -0.515 10.818 7.650 1.00 0.00 H new ATOM 1315 N SER A 86 -0.058 7.728 7.182 1.00 0.00 N ATOM 1316 CA SER A 86 -0.531 6.650 8.034 1.00 0.00 C ATOM 1317 C SER A 86 0.188 5.347 7.678 1.00 0.00 C ATOM 1318 O SER A 86 -0.265 4.264 8.045 1.00 0.00 O ATOM 1319 CB SER A 86 -2.045 6.472 7.907 1.00 0.00 C ATOM 1320 OG SER A 86 -2.759 7.301 8.821 1.00 0.00 O ATOM 0 H SER A 86 -0.321 7.642 6.200 1.00 0.00 H new ATOM 0 HA SER A 86 -0.308 6.909 9.069 1.00 0.00 H new ATOM 0 HB2 SER A 86 -2.353 6.706 6.888 1.00 0.00 H new ATOM 0 HB3 SER A 86 -2.304 5.428 8.086 1.00 0.00 H new ATOM 0 HG SER A 86 -3.722 7.159 8.708 1.00 0.00 H new ATOM 1326 N ALA A 87 1.296 5.496 6.968 1.00 0.00 N ATOM 1327 CA ALA A 87 2.083 4.344 6.558 1.00 0.00 C ATOM 1328 C ALA A 87 2.309 3.432 7.765 1.00 0.00 C ATOM 1329 O ALA A 87 2.246 2.209 7.644 1.00 0.00 O ATOM 1330 CB ALA A 87 3.395 4.819 5.932 1.00 0.00 C ATOM 0 H ALA A 87 1.668 6.396 6.666 1.00 0.00 H new ATOM 0 HA ALA A 87 1.552 3.765 5.802 1.00 0.00 H new ATOM 0 HB1 ALA A 87 3.985 3.956 5.625 1.00 0.00 H new ATOM 0 HB2 ALA A 87 3.179 5.439 5.062 1.00 0.00 H new ATOM 0 HB3 ALA A 87 3.957 5.401 6.662 1.00 0.00 H new ATOM 1336 N GLU A 88 2.568 4.060 8.902 1.00 0.00 N ATOM 1337 CA GLU A 88 2.804 3.320 10.130 1.00 0.00 C ATOM 1338 C GLU A 88 1.518 2.632 10.590 1.00 0.00 C ATOM 1339 O GLU A 88 1.567 1.605 11.266 1.00 0.00 O ATOM 1340 CB GLU A 88 3.359 4.235 11.223 1.00 0.00 C ATOM 1341 CG GLU A 88 2.354 5.331 11.583 1.00 0.00 C ATOM 1342 CD GLU A 88 3.010 6.418 12.437 1.00 0.00 C ATOM 1343 OE1 GLU A 88 3.723 7.254 11.842 1.00 0.00 O ATOM 1344 OE2 GLU A 88 2.784 6.387 13.666 1.00 0.00 O ATOM 0 H GLU A 88 2.620 5.074 8.999 1.00 0.00 H new ATOM 0 HA GLU A 88 3.552 2.552 9.931 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.594 3.647 12.110 1.00 0.00 H new ATOM 0 HB3 GLU A 88 4.291 4.688 10.885 1.00 0.00 H new ATOM 0 HG2 GLU A 88 1.951 5.773 10.672 1.00 0.00 H new ATOM 0 HG3 GLU A 88 1.514 4.896 12.124 1.00 0.00 H new ATOM 1351 N PHE A 89 0.397 3.225 10.207 1.00 0.00 N ATOM 1352 CA PHE A 89 -0.900 2.682 10.572 1.00 0.00 C ATOM 1353 C PHE A 89 -1.341 1.602 9.582 1.00 0.00 C ATOM 1354 O PHE A 89 -1.911 0.587 9.979 1.00 0.00 O ATOM 1355 CB PHE A 89 -1.899 3.840 10.523 1.00 0.00 C ATOM 1356 CG PHE A 89 -2.042 4.595 11.846 1.00 0.00 C ATOM 1357 CD1 PHE A 89 -2.417 3.930 12.972 1.00 0.00 C ATOM 1358 CD2 PHE A 89 -1.794 5.931 11.897 1.00 0.00 C ATOM 1359 CE1 PHE A 89 -2.550 4.630 14.200 1.00 0.00 C ATOM 1360 CE2 PHE A 89 -1.927 6.632 13.125 1.00 0.00 C ATOM 1361 CZ PHE A 89 -2.302 5.967 14.250 1.00 0.00 C ATOM 0 H PHE A 89 0.360 4.077 9.647 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.849 2.230 11.562 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.589 4.541 9.748 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.875 3.452 10.230 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.614 2.869 12.932 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.496 6.459 11.003 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.848 4.102 15.094 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.730 7.693 13.165 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.403 6.500 15.184 1.00 0.00 H new ATOM 1371 N ILE A 90 -1.059 1.857 8.313 1.00 0.00 N ATOM 1372 CA ILE A 90 -1.419 0.919 7.264 1.00 0.00 C ATOM 1373 C ILE A 90 -1.138 -0.507 7.742 1.00 0.00 C ATOM 1374 O ILE A 90 -0.170 -0.745 8.462 1.00 0.00 O ATOM 1375 CB ILE A 90 -0.711 1.279 5.956 1.00 0.00 C ATOM 1376 CG1 ILE A 90 -1.029 2.717 5.539 1.00 0.00 C ATOM 1377 CG2 ILE A 90 -1.050 0.274 4.854 1.00 0.00 C ATOM 1378 CD1 ILE A 90 -2.478 3.077 5.873 1.00 0.00 C ATOM 0 H ILE A 90 -0.585 2.700 7.988 1.00 0.00 H new ATOM 0 HA ILE A 90 -2.486 0.980 7.049 1.00 0.00 H new ATOM 0 HB ILE A 90 0.365 1.222 6.123 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -0.353 3.405 6.047 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -0.859 2.835 4.469 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -0.534 0.553 3.935 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -0.732 -0.723 5.160 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.126 0.274 4.680 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -2.678 4.104 5.567 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -3.152 2.403 5.344 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -2.638 2.981 6.947 1.00 0.00 H new ATOM 1390 N LYS A 91 -2.002 -1.420 7.322 1.00 0.00 N ATOM 1391 CA LYS A 91 -1.859 -2.816 7.698 1.00 0.00 C ATOM 1392 C LYS A 91 -2.700 -3.682 6.758 1.00 0.00 C ATOM 1393 O LYS A 91 -3.702 -3.220 6.213 1.00 0.00 O ATOM 1394 CB LYS A 91 -2.196 -3.009 9.178 1.00 0.00 C ATOM 1395 CG LYS A 91 -1.650 -4.341 9.695 1.00 0.00 C ATOM 1396 CD LYS A 91 -2.693 -5.452 9.555 1.00 0.00 C ATOM 1397 CE LYS A 91 -3.216 -5.890 10.924 1.00 0.00 C ATOM 1398 NZ LYS A 91 -2.915 -7.320 11.161 1.00 0.00 N ATOM 0 H LYS A 91 -2.804 -1.220 6.725 1.00 0.00 H new ATOM 0 HA LYS A 91 -0.823 -3.137 7.586 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -1.776 -2.189 9.760 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.277 -2.977 9.316 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -0.751 -4.609 9.141 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -1.361 -4.238 10.741 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -3.522 -5.102 8.940 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.253 -6.306 9.040 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.760 -5.282 11.705 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -4.292 -5.725 10.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -3.073 -7.546 12.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.537 -7.908 10.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -1.923 -7.511 10.915 1.00 0.00 H new ATOM 1412 N PHE A 92 -2.262 -4.922 6.597 1.00 0.00 N ATOM 1413 CA PHE A 92 -2.962 -5.856 5.733 1.00 0.00 C ATOM 1414 C PHE A 92 -3.110 -7.222 6.407 1.00 0.00 C ATOM 1415 O PHE A 92 -2.115 -7.872 6.723 1.00 0.00 O ATOM 1416 CB PHE A 92 -2.117 -6.014 4.467 1.00 0.00 C ATOM 1417 CG PHE A 92 -2.219 -4.833 3.500 1.00 0.00 C ATOM 1418 CD1 PHE A 92 -1.682 -3.630 3.837 1.00 0.00 C ATOM 1419 CD2 PHE A 92 -2.846 -4.986 2.303 1.00 0.00 C ATOM 1420 CE1 PHE A 92 -1.776 -2.534 2.939 1.00 0.00 C ATOM 1421 CE2 PHE A 92 -2.940 -3.890 1.405 1.00 0.00 C ATOM 1422 CZ PHE A 92 -2.403 -2.687 1.742 1.00 0.00 C ATOM 0 H PHE A 92 -1.431 -5.301 7.051 1.00 0.00 H new ATOM 0 HA PHE A 92 -3.961 -5.480 5.511 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.074 -6.147 4.753 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.424 -6.922 3.949 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -1.184 -3.508 4.788 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.273 -5.941 2.035 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.349 -1.579 3.207 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.438 -4.012 0.454 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.474 -1.853 1.059 1.00 0.00 H new ATOM 1432 N THR A 93 -4.359 -7.616 6.606 1.00 0.00 N ATOM 1433 CA THR A 93 -4.649 -8.892 7.237 1.00 0.00 C ATOM 1434 C THR A 93 -5.160 -9.895 6.201 1.00 0.00 C ATOM 1435 O THR A 93 -6.115 -9.614 5.478 1.00 0.00 O ATOM 1436 CB THR A 93 -5.636 -8.642 8.379 1.00 0.00 C ATOM 1437 OG1 THR A 93 -4.995 -7.655 9.182 1.00 0.00 O ATOM 1438 CG2 THR A 93 -5.774 -9.848 9.309 1.00 0.00 C ATOM 0 H THR A 93 -5.182 -7.074 6.341 1.00 0.00 H new ATOM 0 HA THR A 93 -3.748 -9.338 7.659 1.00 0.00 H new ATOM 0 HB THR A 93 -6.613 -8.390 7.966 1.00 0.00 H new ATOM 0 HG1 THR A 93 -5.567 -7.432 9.946 1.00 0.00 H new ATOM 0 HG21 THR A 93 -6.486 -9.617 10.101 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.130 -10.707 8.740 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.804 -10.081 9.749 1.00 0.00 H new ATOM 1446 N VAL A 94 -4.502 -11.044 6.162 1.00 0.00 N ATOM 1447 CA VAL A 94 -4.878 -12.090 5.226 1.00 0.00 C ATOM 1448 C VAL A 94 -5.705 -13.150 5.957 1.00 0.00 C ATOM 1449 O VAL A 94 -5.172 -14.173 6.383 1.00 0.00 O ATOM 1450 CB VAL A 94 -3.629 -12.665 4.555 1.00 0.00 C ATOM 1451 CG1 VAL A 94 -3.986 -13.854 3.660 1.00 0.00 C ATOM 1452 CG2 VAL A 94 -2.887 -11.587 3.763 1.00 0.00 C ATOM 0 H VAL A 94 -3.711 -11.274 6.763 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.501 -11.684 4.430 1.00 0.00 H new ATOM 0 HB VAL A 94 -2.962 -13.024 5.339 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.081 -14.244 3.195 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.451 -14.635 4.261 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.681 -13.530 2.885 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.003 -12.022 3.296 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -3.544 -11.185 2.992 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.584 -10.785 4.436 1.00 0.00 H new ATOM 1462 N ILE A 95 -6.994 -12.868 6.081 1.00 0.00 N ATOM 1463 CA ILE A 95 -7.899 -13.784 6.753 1.00 0.00 C ATOM 1464 C ILE A 95 -7.968 -15.095 5.967 1.00 0.00 C ATOM 1465 O ILE A 95 -7.872 -16.175 6.547 1.00 0.00 O ATOM 1466 CB ILE A 95 -9.263 -13.125 6.971 1.00 0.00 C ATOM 1467 CG1 ILE A 95 -9.181 -12.037 8.043 1.00 0.00 C ATOM 1468 CG2 ILE A 95 -10.331 -14.171 7.296 1.00 0.00 C ATOM 1469 CD1 ILE A 95 -8.278 -10.888 7.591 1.00 0.00 C ATOM 0 H ILE A 95 -7.433 -12.018 5.727 1.00 0.00 H new ATOM 0 HA ILE A 95 -7.525 -14.028 7.748 1.00 0.00 H new ATOM 0 HB ILE A 95 -9.560 -12.639 6.042 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -10.180 -11.657 8.257 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -8.797 -12.463 8.970 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -11.291 -13.677 7.446 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -10.412 -14.877 6.470 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -10.052 -14.706 8.204 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -8.237 -10.128 8.372 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.274 -11.267 7.401 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -8.678 -10.448 6.677 1.00 0.00 H new ATOM 1481 N ARG A 96 -8.134 -14.956 4.660 1.00 0.00 N ATOM 1482 CA ARG A 96 -8.217 -16.116 3.789 1.00 0.00 C ATOM 1483 C ARG A 96 -7.729 -15.761 2.384 1.00 0.00 C ATOM 1484 O ARG A 96 -8.126 -14.739 1.825 1.00 0.00 O ATOM 1485 CB ARG A 96 -9.652 -16.642 3.706 1.00 0.00 C ATOM 1486 CG ARG A 96 -10.631 -15.513 3.378 1.00 0.00 C ATOM 1487 CD ARG A 96 -12.040 -15.849 3.870 1.00 0.00 C ATOM 1488 NE ARG A 96 -12.990 -15.832 2.735 1.00 0.00 N ATOM 1489 CZ ARG A 96 -14.252 -16.278 2.806 1.00 0.00 C ATOM 1490 NH1 ARG A 96 -14.723 -16.777 3.956 1.00 0.00 N ATOM 1491 NH2 ARG A 96 -15.042 -16.224 1.725 1.00 0.00 N ATOM 0 H ARG A 96 -8.213 -14.058 4.183 1.00 0.00 H new ATOM 0 HA ARG A 96 -7.581 -16.894 4.212 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -9.716 -17.417 2.942 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -9.929 -17.105 4.653 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -10.292 -14.586 3.841 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -10.649 -15.343 2.301 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -12.044 -16.831 4.344 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -12.351 -15.129 4.626 1.00 0.00 H new ATOM 0 HE ARG A 96 -12.664 -15.458 1.844 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -14.121 -16.818 4.779 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -15.683 -17.116 4.009 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -14.683 -15.844 0.849 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -16.003 -16.563 1.778 1.00 0.00 H new ATOM 1505 N PRO A 97 -6.853 -16.646 1.838 1.00 0.00 N ATOM 1506 CA PRO A 97 -6.307 -16.436 0.508 1.00 0.00 C ATOM 1507 C PRO A 97 -7.348 -16.750 -0.568 1.00 0.00 C ATOM 1508 O PRO A 97 -8.375 -17.364 -0.283 1.00 0.00 O ATOM 1509 CB PRO A 97 -5.087 -17.339 0.436 1.00 0.00 C ATOM 1510 CG PRO A 97 -5.260 -18.363 1.546 1.00 0.00 C ATOM 1511 CD PRO A 97 -6.361 -17.866 2.470 1.00 0.00 C ATOM 0 HA PRO A 97 -6.028 -15.398 0.327 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -5.018 -17.826 -0.537 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -4.169 -16.767 0.572 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -5.521 -19.336 1.130 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -4.328 -18.491 2.097 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -7.155 -18.606 2.574 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -5.978 -17.667 3.471 1.00 0.00 H new ATOM 1519 N PHE A 98 -7.047 -16.314 -1.783 1.00 0.00 N ATOM 1520 CA PHE A 98 -7.944 -16.541 -2.903 1.00 0.00 C ATOM 1521 C PHE A 98 -7.842 -17.983 -3.404 1.00 0.00 C ATOM 1522 O PHE A 98 -6.891 -18.692 -3.077 1.00 0.00 O ATOM 1523 CB PHE A 98 -7.511 -15.593 -4.023 1.00 0.00 C ATOM 1524 CG PHE A 98 -7.041 -14.223 -3.530 1.00 0.00 C ATOM 1525 CD1 PHE A 98 -7.787 -13.532 -2.627 1.00 0.00 C ATOM 1526 CD2 PHE A 98 -5.877 -13.695 -3.997 1.00 0.00 C ATOM 1527 CE1 PHE A 98 -7.351 -12.260 -2.170 1.00 0.00 C ATOM 1528 CE2 PHE A 98 -5.441 -12.423 -3.540 1.00 0.00 C ATOM 1529 CZ PHE A 98 -6.187 -11.733 -2.636 1.00 0.00 C ATOM 0 H PHE A 98 -6.194 -15.805 -2.016 1.00 0.00 H new ATOM 0 HA PHE A 98 -8.975 -16.363 -2.595 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -6.705 -16.060 -4.590 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -8.345 -15.454 -4.711 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -8.711 -13.951 -2.257 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -5.285 -14.243 -4.715 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -7.943 -11.711 -1.453 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -4.517 -12.004 -3.910 1.00 0.00 H new ATOM 0 HZ PHE A 98 -5.855 -10.766 -2.288 1.00 0.00 H new ATOM 1539 N PRO A 99 -8.861 -18.385 -4.210 1.00 0.00 N ATOM 1540 CA PRO A 99 -8.894 -19.730 -4.759 1.00 0.00 C ATOM 1541 C PRO A 99 -7.886 -19.882 -5.900 1.00 0.00 C ATOM 1542 O PRO A 99 -8.265 -19.905 -7.070 1.00 0.00 O ATOM 1543 CB PRO A 99 -10.332 -19.937 -5.207 1.00 0.00 C ATOM 1544 CG PRO A 99 -10.937 -18.547 -5.319 1.00 0.00 C ATOM 1545 CD PRO A 99 -10.003 -17.573 -4.619 1.00 0.00 C ATOM 0 HA PRO A 99 -8.604 -20.488 -4.031 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -10.372 -20.459 -6.163 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -10.881 -20.545 -4.489 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -11.063 -18.269 -6.365 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -11.926 -18.523 -4.861 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -9.697 -16.768 -5.287 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -10.487 -17.108 -3.760 1.00 0.00 H new ATOM 1553 N GLY A 100 -6.621 -19.981 -5.519 1.00 0.00 N ATOM 1554 CA GLY A 100 -5.555 -20.130 -6.495 1.00 0.00 C ATOM 1555 C GLY A 100 -4.310 -19.347 -6.072 1.00 0.00 C ATOM 1556 O GLY A 100 -3.228 -19.551 -6.620 1.00 0.00 O ATOM 0 H GLY A 100 -6.310 -19.961 -4.548 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -5.305 -21.185 -6.607 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -5.897 -19.778 -7.468 1.00 0.00 H new ATOM 1560 N LEU A 101 -4.506 -18.467 -5.101 1.00 0.00 N ATOM 1561 CA LEU A 101 -3.413 -17.652 -4.598 1.00 0.00 C ATOM 1562 C LEU A 101 -2.338 -18.561 -4.000 1.00 0.00 C ATOM 1563 O LEU A 101 -2.638 -19.659 -3.534 1.00 0.00 O ATOM 1564 CB LEU A 101 -3.938 -16.595 -3.624 1.00 0.00 C ATOM 1565 CG LEU A 101 -2.923 -15.547 -3.162 1.00 0.00 C ATOM 1566 CD1 LEU A 101 -2.556 -14.597 -4.304 1.00 0.00 C ATOM 1567 CD2 LEU A 101 -3.435 -14.794 -1.932 1.00 0.00 C ATOM 0 H LEU A 101 -5.405 -18.301 -4.649 1.00 0.00 H new ATOM 0 HA LEU A 101 -2.945 -17.098 -5.411 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -4.775 -16.079 -4.095 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -4.332 -17.104 -2.744 1.00 0.00 H new ATOM 0 HG LEU A 101 -2.009 -16.063 -2.867 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -1.833 -13.863 -3.948 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.121 -15.166 -5.125 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -3.452 -14.084 -4.653 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -2.695 -14.055 -1.624 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -4.370 -14.291 -2.177 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -3.605 -15.499 -1.118 1.00 0.00 H new ATOM 1579 N VAL A 102 -1.108 -18.070 -4.032 1.00 0.00 N ATOM 1580 CA VAL A 102 0.013 -18.824 -3.498 1.00 0.00 C ATOM 1581 C VAL A 102 0.845 -17.919 -2.588 1.00 0.00 C ATOM 1582 O VAL A 102 0.892 -16.706 -2.789 1.00 0.00 O ATOM 1583 CB VAL A 102 0.827 -19.431 -4.643 1.00 0.00 C ATOM 1584 CG1 VAL A 102 2.099 -20.100 -4.116 1.00 0.00 C ATOM 1585 CG2 VAL A 102 -0.016 -20.418 -5.453 1.00 0.00 C ATOM 0 H VAL A 102 -0.863 -17.159 -4.420 1.00 0.00 H new ATOM 0 HA VAL A 102 -0.342 -19.657 -2.891 1.00 0.00 H new ATOM 0 HB VAL A 102 1.125 -18.621 -5.309 1.00 0.00 H new ATOM 0 HG11 VAL A 102 2.659 -20.523 -4.949 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.714 -19.360 -3.604 1.00 0.00 H new ATOM 0 HG13 VAL A 102 1.831 -20.894 -3.419 1.00 0.00 H new ATOM 0 HG21 VAL A 102 0.587 -20.834 -6.260 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -0.358 -21.223 -4.803 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -0.878 -19.900 -5.874 1.00 0.00 H new ATOM 1595 N ILE A 103 1.479 -18.542 -1.606 1.00 0.00 N ATOM 1596 CA ILE A 103 2.306 -17.808 -0.664 1.00 0.00 C ATOM 1597 C ILE A 103 3.768 -18.222 -0.845 1.00 0.00 C ATOM 1598 O ILE A 103 4.376 -18.780 0.067 1.00 0.00 O ATOM 1599 CB ILE A 103 1.787 -17.993 0.763 1.00 0.00 C ATOM 1600 CG1 ILE A 103 0.364 -17.447 0.903 1.00 0.00 C ATOM 1601 CG2 ILE A 103 2.743 -17.367 1.780 1.00 0.00 C ATOM 1602 CD1 ILE A 103 -0.127 -17.561 2.348 1.00 0.00 C ATOM 0 H ILE A 103 1.437 -19.548 -1.442 1.00 0.00 H new ATOM 0 HA ILE A 103 2.250 -16.738 -0.862 1.00 0.00 H new ATOM 0 HB ILE A 103 1.745 -19.061 0.976 1.00 0.00 H new ATOM 0 HG12 ILE A 103 0.338 -16.404 0.588 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -0.307 -17.997 0.243 1.00 0.00 H new ATOM 0 HG21 ILE A 103 2.350 -17.513 2.786 1.00 0.00 H new ATOM 0 HG22 ILE A 103 3.721 -17.841 1.700 1.00 0.00 H new ATOM 0 HG23 ILE A 103 2.840 -16.300 1.579 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -1.140 -17.166 2.420 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -0.123 -18.608 2.652 1.00 0.00 H new ATOM 0 HD13 ILE A 103 0.532 -16.990 3.002 1.00 0.00 H new ATOM 1614 N ASN A 104 4.290 -17.932 -2.028 1.00 0.00 N ATOM 1615 CA ASN A 104 5.669 -18.268 -2.340 1.00 0.00 C ATOM 1616 C ASN A 104 6.296 -17.130 -3.149 1.00 0.00 C ATOM 1617 O ASN A 104 5.643 -16.124 -3.420 1.00 0.00 O ATOM 1618 CB ASN A 104 5.749 -19.545 -3.179 1.00 0.00 C ATOM 1619 CG ASN A 104 6.407 -20.679 -2.390 1.00 0.00 C ATOM 1620 OD1 ASN A 104 5.752 -21.488 -1.753 1.00 0.00 O ATOM 1621 ND2 ASN A 104 7.734 -20.693 -2.467 1.00 0.00 N ATOM 0 H ASN A 104 3.783 -17.468 -2.782 1.00 0.00 H new ATOM 0 HA ASN A 104 6.200 -18.421 -1.400 1.00 0.00 H new ATOM 0 HB2 ASN A 104 4.748 -19.845 -3.487 1.00 0.00 H new ATOM 0 HB3 ASN A 104 6.318 -19.352 -4.088 1.00 0.00 H new ATOM 0 HD21 ASN A 104 8.266 -21.411 -1.975 1.00 0.00 H new ATOM 0 HD22 ASN A 104 8.220 -19.986 -3.018 1.00 0.00 H new ATOM 1628 N ASN A 105 7.554 -17.329 -3.512 1.00 0.00 N ATOM 1629 CA ASN A 105 8.276 -16.333 -4.285 1.00 0.00 C ATOM 1630 C ASN A 105 8.388 -16.802 -5.737 1.00 0.00 C ATOM 1631 O ASN A 105 7.624 -17.660 -6.176 1.00 0.00 O ATOM 1632 CB ASN A 105 9.693 -16.135 -3.742 1.00 0.00 C ATOM 1633 CG ASN A 105 10.600 -17.300 -4.140 1.00 0.00 C ATOM 1634 OD1 ASN A 105 11.349 -17.237 -5.101 1.00 0.00 O ATOM 1635 ND2 ASN A 105 10.493 -18.364 -3.350 1.00 0.00 N ATOM 0 H ASN A 105 8.092 -18.165 -3.285 1.00 0.00 H new ATOM 0 HA ASN A 105 7.729 -15.393 -4.217 1.00 0.00 H new ATOM 0 HB2 ASN A 105 10.106 -15.201 -4.124 1.00 0.00 H new ATOM 0 HB3 ASN A 105 9.661 -16.049 -2.656 1.00 0.00 H new ATOM 0 HD21 ASN A 105 11.058 -19.193 -3.532 1.00 0.00 H new ATOM 0 HD22 ASN A 105 9.846 -18.351 -2.562 1.00 0.00 H new ATOM 1642 N GLN A 106 9.345 -16.218 -6.442 1.00 0.00 N ATOM 1643 CA GLN A 106 9.567 -16.566 -7.835 1.00 0.00 C ATOM 1644 C GLN A 106 8.241 -16.566 -8.599 1.00 0.00 C ATOM 1645 O GLN A 106 7.996 -17.444 -9.425 1.00 0.00 O ATOM 1646 CB GLN A 106 10.270 -17.919 -7.958 1.00 0.00 C ATOM 1647 CG GLN A 106 11.768 -17.738 -8.211 1.00 0.00 C ATOM 1648 CD GLN A 106 12.163 -18.289 -9.582 1.00 0.00 C ATOM 1649 OE1 GLN A 106 11.466 -19.092 -10.181 1.00 0.00 O ATOM 1650 NE2 GLN A 106 13.317 -17.815 -10.044 1.00 0.00 N ATOM 0 H GLN A 106 9.976 -15.506 -6.075 1.00 0.00 H new ATOM 0 HA GLN A 106 10.220 -15.814 -8.277 1.00 0.00 H new ATOM 0 HB2 GLN A 106 10.119 -18.496 -7.045 1.00 0.00 H new ATOM 0 HB3 GLN A 106 9.826 -18.490 -8.773 1.00 0.00 H new ATOM 0 HG2 GLN A 106 12.025 -16.680 -8.152 1.00 0.00 H new ATOM 0 HG3 GLN A 106 12.336 -18.248 -7.433 1.00 0.00 H new ATOM 0 HE21 GLN A 106 13.851 -17.144 -9.491 1.00 0.00 H new ATOM 0 HE22 GLN A 106 13.668 -18.122 -10.951 1.00 0.00 H new ATOM 1659 N LEU A 107 7.421 -15.570 -8.297 1.00 0.00 N ATOM 1660 CA LEU A 107 6.127 -15.444 -8.945 1.00 0.00 C ATOM 1661 C LEU A 107 6.300 -15.604 -10.457 1.00 0.00 C ATOM 1662 O LEU A 107 7.365 -15.310 -10.998 1.00 0.00 O ATOM 1663 CB LEU A 107 5.450 -14.133 -8.540 1.00 0.00 C ATOM 1664 CG LEU A 107 3.965 -14.227 -8.181 1.00 0.00 C ATOM 1665 CD1 LEU A 107 3.735 -13.882 -6.708 1.00 0.00 C ATOM 1666 CD2 LEU A 107 3.120 -13.358 -9.113 1.00 0.00 C ATOM 0 H LEU A 107 7.628 -14.843 -7.612 1.00 0.00 H new ATOM 0 HA LEU A 107 5.457 -16.238 -8.614 1.00 0.00 H new ATOM 0 HB2 LEU A 107 5.985 -13.720 -7.684 1.00 0.00 H new ATOM 0 HB3 LEU A 107 5.561 -13.422 -9.359 1.00 0.00 H new ATOM 0 HG LEU A 107 3.643 -15.258 -8.324 1.00 0.00 H new ATOM 0 HD11 LEU A 107 2.672 -13.956 -6.479 1.00 0.00 H new ATOM 0 HD12 LEU A 107 4.291 -14.578 -6.080 1.00 0.00 H new ATOM 0 HD13 LEU A 107 4.078 -12.866 -6.515 1.00 0.00 H new ATOM 0 HD21 LEU A 107 2.069 -13.443 -8.836 1.00 0.00 H new ATOM 0 HD22 LEU A 107 3.435 -12.318 -9.026 1.00 0.00 H new ATOM 0 HD23 LEU A 107 3.252 -13.693 -10.142 1.00 0.00 H new ATOM 1678 N VAL A 108 5.237 -16.071 -11.096 1.00 0.00 N ATOM 1679 CA VAL A 108 5.259 -16.274 -12.535 1.00 0.00 C ATOM 1680 C VAL A 108 4.101 -15.503 -13.172 1.00 0.00 C ATOM 1681 O VAL A 108 2.994 -16.026 -13.292 1.00 0.00 O ATOM 1682 CB VAL A 108 5.227 -17.770 -12.852 1.00 0.00 C ATOM 1683 CG1 VAL A 108 5.539 -18.024 -14.329 1.00 0.00 C ATOM 1684 CG2 VAL A 108 6.190 -18.543 -11.948 1.00 0.00 C ATOM 0 H VAL A 108 4.356 -16.314 -10.644 1.00 0.00 H new ATOM 0 HA VAL A 108 6.183 -15.884 -12.962 1.00 0.00 H new ATOM 0 HB VAL A 108 4.218 -18.133 -12.655 1.00 0.00 H new ATOM 0 HG11 VAL A 108 5.510 -19.095 -14.528 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.798 -17.519 -14.949 1.00 0.00 H new ATOM 0 HG13 VAL A 108 6.531 -17.638 -14.563 1.00 0.00 H new ATOM 0 HG21 VAL A 108 6.148 -19.604 -12.194 1.00 0.00 H new ATOM 0 HG22 VAL A 108 7.205 -18.176 -12.099 1.00 0.00 H new ATOM 0 HG23 VAL A 108 5.904 -18.401 -10.906 1.00 0.00 H new ATOM 1694 N SER A 109 4.396 -14.272 -13.563 1.00 0.00 N ATOM 1695 CA SER A 109 3.393 -13.424 -14.185 1.00 0.00 C ATOM 1696 C SER A 109 3.862 -11.968 -14.177 1.00 0.00 C ATOM 1697 O SER A 109 3.361 -11.155 -13.402 1.00 0.00 O ATOM 1698 CB SER A 109 2.045 -13.552 -13.471 1.00 0.00 C ATOM 1699 OG SER A 109 2.187 -14.062 -12.149 1.00 0.00 O ATOM 0 H SER A 109 5.315 -13.841 -13.461 1.00 0.00 H new ATOM 0 HA SER A 109 3.260 -13.750 -15.216 1.00 0.00 H new ATOM 0 HB2 SER A 109 1.561 -12.576 -13.433 1.00 0.00 H new ATOM 0 HB3 SER A 109 1.392 -14.209 -14.045 1.00 0.00 H new ATOM 0 HG SER A 109 2.099 -15.038 -12.164 1.00 0.00 H new ATOM 1705 N GLY A 110 4.817 -11.683 -15.050 1.00 0.00 N ATOM 1706 CA GLY A 110 5.359 -10.339 -15.154 1.00 0.00 C ATOM 1707 C GLY A 110 5.521 -9.924 -16.618 1.00 0.00 C ATOM 1708 O GLY A 110 6.595 -10.081 -17.196 1.00 0.00 O ATOM 0 H GLY A 110 5.229 -12.360 -15.692 1.00 0.00 H new ATOM 0 HA2 GLY A 110 4.699 -9.637 -14.644 1.00 0.00 H new ATOM 0 HA3 GLY A 110 6.325 -10.293 -14.650 1.00 0.00 H new ATOM 1712 N PRO A 111 4.409 -9.390 -17.190 1.00 0.00 N ATOM 1713 CA PRO A 111 4.416 -8.952 -18.575 1.00 0.00 C ATOM 1714 C PRO A 111 5.172 -7.630 -18.728 1.00 0.00 C ATOM 1715 O PRO A 111 5.718 -7.107 -17.757 1.00 0.00 O ATOM 1716 CB PRO A 111 2.951 -8.846 -18.963 1.00 0.00 C ATOM 1717 CG PRO A 111 2.178 -8.778 -17.655 1.00 0.00 C ATOM 1718 CD PRO A 111 3.119 -9.190 -16.535 1.00 0.00 C ATOM 0 HA PRO A 111 4.938 -9.647 -19.233 1.00 0.00 H new ATOM 0 HB2 PRO A 111 2.771 -7.959 -19.570 1.00 0.00 H new ATOM 0 HB3 PRO A 111 2.641 -9.706 -19.556 1.00 0.00 H new ATOM 0 HG2 PRO A 111 1.802 -7.769 -17.486 1.00 0.00 H new ATOM 0 HG3 PRO A 111 1.312 -9.439 -17.689 1.00 0.00 H new ATOM 0 HD2 PRO A 111 3.180 -8.420 -15.766 1.00 0.00 H new ATOM 0 HD3 PRO A 111 2.777 -10.102 -16.046 1.00 0.00 H new ATOM 1726 N SER A 112 5.180 -7.128 -19.954 1.00 0.00 N ATOM 1727 CA SER A 112 5.859 -5.878 -20.246 1.00 0.00 C ATOM 1728 C SER A 112 5.629 -4.879 -19.110 1.00 0.00 C ATOM 1729 O SER A 112 6.577 -4.283 -18.601 1.00 0.00 O ATOM 1730 CB SER A 112 5.382 -5.289 -21.575 1.00 0.00 C ATOM 1731 OG SER A 112 5.975 -4.021 -21.841 1.00 0.00 O ATOM 0 H SER A 112 4.727 -7.565 -20.757 1.00 0.00 H new ATOM 0 HA SER A 112 6.926 -6.081 -20.332 1.00 0.00 H new ATOM 0 HB2 SER A 112 5.623 -5.979 -22.384 1.00 0.00 H new ATOM 0 HB3 SER A 112 4.297 -5.185 -21.557 1.00 0.00 H new ATOM 0 HG SER A 112 5.646 -3.680 -22.699 1.00 0.00 H new ATOM 1737 N SER A 113 4.364 -4.727 -18.746 1.00 0.00 N ATOM 1738 CA SER A 113 3.997 -3.811 -17.680 1.00 0.00 C ATOM 1739 C SER A 113 4.074 -4.523 -16.328 1.00 0.00 C ATOM 1740 O SER A 113 4.994 -4.282 -15.547 1.00 0.00 O ATOM 1741 CB SER A 113 2.594 -3.242 -17.901 1.00 0.00 C ATOM 1742 OG SER A 113 2.564 -1.825 -17.760 1.00 0.00 O ATOM 0 H SER A 113 3.580 -5.223 -19.171 1.00 0.00 H new ATOM 0 HA SER A 113 4.702 -2.980 -17.686 1.00 0.00 H new ATOM 0 HB2 SER A 113 2.245 -3.515 -18.897 1.00 0.00 H new ATOM 0 HB3 SER A 113 1.904 -3.692 -17.187 1.00 0.00 H new ATOM 0 HG SER A 113 1.652 -1.501 -17.910 1.00 0.00 H new ATOM 1748 N GLY A 114 3.097 -5.386 -16.093 1.00 0.00 N ATOM 1749 CA GLY A 114 3.043 -6.135 -14.849 1.00 0.00 C ATOM 1750 C GLY A 114 2.917 -5.195 -13.649 1.00 0.00 C ATOM 1751 O GLY A 114 3.435 -5.485 -12.572 1.00 0.00 O ATOM 0 H GLY A 114 2.336 -5.583 -16.743 1.00 0.00 H new ATOM 0 HA2 GLY A 114 2.196 -6.820 -14.869 1.00 0.00 H new ATOM 0 HA3 GLY A 114 3.942 -6.743 -14.747 1.00 0.00 H new TER 1755 GLY A 114