USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 714 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 49 HIS : no HD1:sc= -1.53 K(o=-1.5,f=-6.2) USER MOD Set 1.2: A 68 ASN : amide:sc= 0.0434 K(o=-1.5,f=-5!) USER MOD Single : A 7 THR OG1 : rot 28:sc= 0.118 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -2.26 K(o=-2.3,f=-2.9!) USER MOD Single : A 17 SER OG : rot -138:sc= 1.34 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc=-0.000388 K(o=-0.00039,f=-0.98) USER MOD Single : A 27 SER OG : rot -167:sc= 1.15 USER MOD Single : A 28 ASN :FLIP amide:sc= -0.577 F(o=-1.4!,f=-0.58) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= 0.782 K(o=0.78,f=-0.019) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.026 K(o=-0.026,f=-0.83) USER MOD Single : A 65 ASN : amide:sc= 0.608 K(o=0.61,f=-11!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 93:sc= 1.24 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.302 USER MOD Single : A 73 ASN : amide:sc= 1.03 K(o=1,f=-0.14) USER MOD Single : A 74 ASN : amide:sc= -0.213 X(o=-0.21,f=-0.63) USER MOD Single : A 78 GLN : amide:sc= 0.271 K(o=0.27,f=-1.4) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 HIS : no HE2:sc= 1.01 K(o=1,f=-3!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 62 N THR A 7 -4.263 -8.581 2.166 1.00 50.22 N ATOM 63 CA THR A 7 -3.921 -7.373 2.835 1.00 74.13 C ATOM 64 C THR A 7 -4.340 -6.184 1.982 1.00 41.21 C ATOM 65 O THR A 7 -3.887 -6.034 0.842 1.00 51.13 O ATOM 66 CB THR A 7 -2.390 -7.337 3.083 1.00 43.21 C ATOM 67 OG1 THR A 7 -2.005 -8.501 3.843 1.00 51.53 O ATOM 68 CG2 THR A 7 -1.974 -6.073 3.827 1.00 50.14 C ATOM 0 HA THR A 7 -4.439 -7.324 3.793 1.00 74.13 H new ATOM 0 HB THR A 7 -1.885 -7.336 2.117 1.00 43.21 H new ATOM 0 HG1 THR A 7 -2.633 -9.231 3.664 1.00 51.53 H new ATOM 0 HG21 THR A 7 -0.895 -6.081 3.984 1.00 50.14 H new ATOM 0 HG22 THR A 7 -2.249 -5.197 3.239 1.00 50.14 H new ATOM 0 HG23 THR A 7 -2.480 -6.035 4.792 1.00 50.14 H new ATOM 76 N SER A 8 -5.238 -5.378 2.492 1.00 64.12 N ATOM 77 CA SER A 8 -5.627 -4.197 1.790 1.00 72.44 C ATOM 78 C SER A 8 -4.994 -3.005 2.472 1.00 43.52 C ATOM 79 O SER A 8 -5.295 -2.714 3.623 1.00 14.20 O ATOM 80 CB SER A 8 -7.139 -4.060 1.795 1.00 33.44 C ATOM 81 OG SER A 8 -7.755 -5.252 1.326 1.00 51.22 O ATOM 0 H SER A 8 -5.707 -5.523 3.386 1.00 64.12 H new ATOM 0 HA SER A 8 -5.293 -4.253 0.754 1.00 72.44 H new ATOM 0 HB2 SER A 8 -7.485 -3.839 2.805 1.00 33.44 H new ATOM 0 HB3 SER A 8 -7.435 -3.221 1.166 1.00 33.44 H new ATOM 0 HG SER A 8 -8.729 -5.144 1.339 1.00 51.22 H new ATOM 87 N VAL A 9 -4.107 -2.338 1.791 1.00 43.14 N ATOM 88 CA VAL A 9 -3.473 -1.181 2.363 1.00 32.14 C ATOM 89 C VAL A 9 -4.170 0.036 1.814 1.00 1.42 C ATOM 90 O VAL A 9 -4.138 0.295 0.603 1.00 4.43 O ATOM 91 CB VAL A 9 -1.964 -1.105 2.046 1.00 45.23 C ATOM 92 CG1 VAL A 9 -1.305 -0.003 2.864 1.00 3.30 C ATOM 93 CG2 VAL A 9 -1.278 -2.442 2.288 1.00 74.55 C ATOM 0 H VAL A 9 -3.806 -2.572 0.845 1.00 43.14 H new ATOM 0 HA VAL A 9 -3.556 -1.240 3.448 1.00 32.14 H new ATOM 0 HB VAL A 9 -1.854 -0.866 0.988 1.00 45.23 H new ATOM 0 HG11 VAL A 9 -0.241 0.038 2.629 1.00 3.30 H new ATOM 0 HG12 VAL A 9 -1.767 0.955 2.623 1.00 3.30 H new ATOM 0 HG13 VAL A 9 -1.434 -0.211 3.926 1.00 3.30 H new ATOM 0 HG21 VAL A 9 -0.217 -2.354 2.055 1.00 74.55 H new ATOM 0 HG22 VAL A 9 -1.398 -2.729 3.333 1.00 74.55 H new ATOM 0 HG23 VAL A 9 -1.728 -3.202 1.649 1.00 74.55 H new ATOM 103 N THR A 10 -4.820 0.738 2.670 1.00 12.44 N ATOM 104 CA THR A 10 -5.591 1.865 2.298 1.00 15.33 C ATOM 105 C THR A 10 -5.117 3.062 3.084 1.00 24.33 C ATOM 106 O THR A 10 -5.044 3.026 4.307 1.00 70.32 O ATOM 107 CB THR A 10 -7.088 1.592 2.563 1.00 21.35 C ATOM 108 OG1 THR A 10 -7.457 0.378 1.889 1.00 13.34 O ATOM 109 CG2 THR A 10 -7.957 2.734 2.045 1.00 30.44 C ATOM 0 H THR A 10 -4.830 0.540 3.670 1.00 12.44 H new ATOM 0 HA THR A 10 -5.468 2.065 1.234 1.00 15.33 H new ATOM 0 HB THR A 10 -7.245 1.504 3.638 1.00 21.35 H new ATOM 0 HG1 THR A 10 -8.405 0.190 2.049 1.00 13.34 H new ATOM 0 HG21 THR A 10 -9.005 2.513 2.246 1.00 30.44 H new ATOM 0 HG22 THR A 10 -7.678 3.660 2.548 1.00 30.44 H new ATOM 0 HG23 THR A 10 -7.809 2.846 0.971 1.00 30.44 H new ATOM 117 N LEU A 11 -4.748 4.074 2.388 1.00 1.45 N ATOM 118 CA LEU A 11 -4.301 5.278 2.990 1.00 44.42 C ATOM 119 C LEU A 11 -5.403 6.312 2.919 1.00 52.04 C ATOM 120 O LEU A 11 -6.005 6.528 1.856 1.00 64.51 O ATOM 121 CB LEU A 11 -2.950 5.781 2.404 1.00 63.43 C ATOM 122 CG LEU A 11 -2.773 5.818 0.869 1.00 43.14 C ATOM 123 CD1 LEU A 11 -1.634 6.754 0.494 1.00 31.13 C ATOM 124 CD2 LEU A 11 -2.434 4.434 0.348 1.00 10.14 C ATOM 0 H LEU A 11 -4.748 4.091 1.368 1.00 1.45 H new ATOM 0 HA LEU A 11 -4.084 5.082 4.040 1.00 44.42 H new ATOM 0 HB2 LEU A 11 -2.782 6.790 2.780 1.00 63.43 H new ATOM 0 HB3 LEU A 11 -2.158 5.153 2.813 1.00 63.43 H new ATOM 0 HG LEU A 11 -3.707 6.168 0.430 1.00 43.14 H new ATOM 0 HD11 LEU A 11 -1.519 6.771 -0.590 1.00 31.13 H new ATOM 0 HD12 LEU A 11 -1.857 7.759 0.852 1.00 31.13 H new ATOM 0 HD13 LEU A 11 -0.709 6.403 0.951 1.00 31.13 H new ATOM 0 HD21 LEU A 11 -2.312 4.473 -0.734 1.00 10.14 H new ATOM 0 HD22 LEU A 11 -1.507 4.090 0.806 1.00 10.14 H new ATOM 0 HD23 LEU A 11 -3.240 3.744 0.598 1.00 10.14 H new ATOM 136 N GLN A 12 -5.705 6.888 4.053 1.00 11.22 N ATOM 137 CA GLN A 12 -6.786 7.820 4.202 1.00 23.42 C ATOM 138 C GLN A 12 -6.260 9.213 4.327 1.00 31.24 C ATOM 139 O GLN A 12 -5.351 9.475 5.117 1.00 44.24 O ATOM 140 CB GLN A 12 -7.578 7.491 5.439 1.00 14.43 C ATOM 141 CG GLN A 12 -8.160 6.103 5.446 1.00 65.34 C ATOM 142 CD GLN A 12 -8.922 5.802 6.716 1.00 41.41 C ATOM 143 OE1 GLN A 12 -8.962 4.664 7.166 1.00 13.33 O ATOM 144 NE2 GLN A 12 -9.561 6.795 7.277 1.00 24.11 N ATOM 0 H GLN A 12 -5.192 6.716 4.918 1.00 11.22 H new ATOM 0 HA GLN A 12 -7.423 7.749 3.320 1.00 23.42 H new ATOM 0 HB2 GLN A 12 -6.934 7.608 6.311 1.00 14.43 H new ATOM 0 HB3 GLN A 12 -8.388 8.213 5.542 1.00 14.43 H new ATOM 0 HG2 GLN A 12 -8.826 5.987 4.591 1.00 65.34 H new ATOM 0 HG3 GLN A 12 -7.357 5.375 5.326 1.00 65.34 H new ATOM 0 HE21 GLN A 12 -9.505 7.730 6.874 1.00 24.11 H new ATOM 0 HE22 GLN A 12 -10.116 6.634 8.118 1.00 24.11 H new ATOM 153 N LEU A 13 -6.838 10.085 3.592 1.00 55.34 N ATOM 154 CA LEU A 13 -6.432 11.447 3.541 1.00 64.42 C ATOM 155 C LEU A 13 -7.587 12.326 3.938 1.00 65.41 C ATOM 156 O LEU A 13 -8.602 12.397 3.224 1.00 22.13 O ATOM 157 CB LEU A 13 -5.967 11.792 2.124 1.00 4.24 C ATOM 158 CG LEU A 13 -5.647 13.259 1.849 1.00 10.10 C ATOM 159 CD1 LEU A 13 -4.507 13.761 2.722 1.00 62.22 C ATOM 160 CD2 LEU A 13 -5.326 13.465 0.386 1.00 51.40 C ATOM 0 H LEU A 13 -7.632 9.870 2.989 1.00 55.34 H new ATOM 0 HA LEU A 13 -5.605 11.611 4.232 1.00 64.42 H new ATOM 0 HB2 LEU A 13 -5.077 11.202 1.904 1.00 4.24 H new ATOM 0 HB3 LEU A 13 -6.741 11.475 1.425 1.00 4.24 H new ATOM 0 HG LEU A 13 -6.533 13.842 2.101 1.00 10.10 H new ATOM 0 HD11 LEU A 13 -4.310 14.809 2.496 1.00 62.22 H new ATOM 0 HD12 LEU A 13 -4.782 13.662 3.772 1.00 62.22 H new ATOM 0 HD13 LEU A 13 -3.611 13.173 2.524 1.00 62.22 H new ATOM 0 HD21 LEU A 13 -5.100 14.516 0.208 1.00 51.40 H new ATOM 0 HD22 LEU A 13 -4.463 12.857 0.114 1.00 51.40 H new ATOM 0 HD23 LEU A 13 -6.183 13.170 -0.220 1.00 51.40 H new ATOM 172 N ASP A 14 -7.478 12.958 5.069 1.00 23.03 N ATOM 173 CA ASP A 14 -8.516 13.850 5.482 1.00 44.24 C ATOM 174 C ASP A 14 -7.929 15.189 5.819 1.00 11.24 C ATOM 175 O ASP A 14 -7.317 15.388 6.877 1.00 40.31 O ATOM 176 CB ASP A 14 -9.324 13.317 6.666 1.00 54.33 C ATOM 177 CG ASP A 14 -10.627 14.085 6.857 1.00 40.50 C ATOM 178 OD1 ASP A 14 -10.611 15.335 6.928 1.00 54.03 O ATOM 179 OD2 ASP A 14 -11.702 13.443 6.881 1.00 20.33 O ATOM 0 H ASP A 14 -6.692 12.874 5.713 1.00 23.03 H new ATOM 0 HA ASP A 14 -9.209 13.944 4.646 1.00 44.24 H new ATOM 0 HB2 ASP A 14 -9.545 12.261 6.509 1.00 54.33 H new ATOM 0 HB3 ASP A 14 -8.725 13.386 7.574 1.00 54.33 H new ATOM 184 N ASP A 15 -8.063 16.078 4.900 1.00 45.32 N ATOM 185 CA ASP A 15 -7.667 17.460 5.064 1.00 70.03 C ATOM 186 C ASP A 15 -8.921 18.305 4.999 1.00 21.13 C ATOM 187 O ASP A 15 -8.870 19.525 4.844 1.00 14.43 O ATOM 188 CB ASP A 15 -6.693 17.867 3.944 1.00 2.14 C ATOM 189 CG ASP A 15 -7.301 17.787 2.560 1.00 12.02 C ATOM 190 OD1 ASP A 15 -7.606 16.676 2.099 1.00 10.32 O ATOM 191 OD2 ASP A 15 -7.491 18.832 1.910 1.00 71.30 O ATOM 0 H ASP A 15 -8.460 15.874 3.983 1.00 45.32 H new ATOM 0 HA ASP A 15 -7.160 17.603 6.018 1.00 70.03 H new ATOM 0 HB2 ASP A 15 -6.350 18.886 4.124 1.00 2.14 H new ATOM 0 HB3 ASP A 15 -5.815 17.223 3.985 1.00 2.14 H new ATOM 196 N GLY A 16 -10.042 17.643 5.223 1.00 61.11 N ATOM 197 CA GLY A 16 -11.330 18.252 5.030 1.00 41.41 C ATOM 198 C GLY A 16 -11.987 17.674 3.794 1.00 42.35 C ATOM 199 O GLY A 16 -12.923 18.244 3.234 1.00 32.24 O ATOM 0 H GLY A 16 -10.077 16.675 5.542 1.00 61.11 H new ATOM 0 HA2 GLY A 16 -11.959 18.079 5.903 1.00 41.41 H new ATOM 0 HA3 GLY A 16 -11.221 19.331 4.925 1.00 41.41 H new ATOM 203 N SER A 17 -11.466 16.547 3.362 1.00 71.23 N ATOM 204 CA SER A 17 -11.942 15.864 2.187 1.00 71.43 C ATOM 205 C SER A 17 -12.495 14.476 2.556 1.00 13.42 C ATOM 206 O SER A 17 -13.710 14.224 2.482 1.00 30.43 O ATOM 207 CB SER A 17 -10.779 15.743 1.206 1.00 63.22 C ATOM 208 OG SER A 17 -9.650 15.160 1.870 1.00 14.21 O ATOM 0 H SER A 17 -10.689 16.076 3.826 1.00 71.23 H new ATOM 0 HA SER A 17 -12.756 16.426 1.729 1.00 71.43 H new ATOM 0 HB2 SER A 17 -11.071 15.128 0.354 1.00 63.22 H new ATOM 0 HB3 SER A 17 -10.516 16.726 0.815 1.00 63.22 H new ATOM 0 HG SER A 17 -8.833 15.630 1.600 1.00 14.21 H new ATOM 214 N GLY A 18 -11.606 13.598 2.963 1.00 51.15 N ATOM 215 CA GLY A 18 -11.980 12.274 3.347 1.00 53.55 C ATOM 216 C GLY A 18 -11.812 11.318 2.205 1.00 0.14 C ATOM 217 O GLY A 18 -12.741 10.611 1.835 1.00 64.11 O ATOM 0 H GLY A 18 -10.607 13.791 3.034 1.00 51.15 H new ATOM 0 HA2 GLY A 18 -11.370 11.950 4.190 1.00 53.55 H new ATOM 0 HA3 GLY A 18 -13.017 12.268 3.682 1.00 53.55 H new ATOM 221 N ARG A 19 -10.636 11.306 1.634 1.00 31.24 N ATOM 222 CA ARG A 19 -10.349 10.445 0.514 1.00 41.15 C ATOM 223 C ARG A 19 -9.605 9.224 0.950 1.00 12.12 C ATOM 224 O ARG A 19 -8.945 9.223 1.997 1.00 2.13 O ATOM 225 CB ARG A 19 -9.551 11.157 -0.561 1.00 10.15 C ATOM 226 CG ARG A 19 -10.336 12.179 -1.339 1.00 1.41 C ATOM 227 CD ARG A 19 -9.480 12.830 -2.401 1.00 51.31 C ATOM 228 NE ARG A 19 -10.273 13.680 -3.287 1.00 40.13 N ATOM 229 CZ ARG A 19 -9.776 14.488 -4.227 1.00 11.24 C ATOM 230 NH1 ARG A 19 -8.473 14.677 -4.336 1.00 13.44 N ATOM 231 NH2 ARG A 19 -10.590 15.122 -5.052 1.00 51.00 N ATOM 0 H ARG A 19 -9.853 11.889 1.929 1.00 31.24 H new ATOM 0 HA ARG A 19 -11.312 10.153 0.094 1.00 41.15 H new ATOM 0 HB2 ARG A 19 -8.696 11.649 -0.097 1.00 10.15 H new ATOM 0 HB3 ARG A 19 -9.155 10.415 -1.254 1.00 10.15 H new ATOM 0 HG2 ARG A 19 -11.198 11.702 -1.805 1.00 1.41 H new ATOM 0 HG3 ARG A 19 -10.721 12.940 -0.660 1.00 1.41 H new ATOM 0 HD2 ARG A 19 -8.701 13.426 -1.926 1.00 51.31 H new ATOM 0 HD3 ARG A 19 -8.979 12.060 -2.988 1.00 51.31 H new ATOM 0 HE ARG A 19 -11.287 13.654 -3.179 1.00 40.13 H new ATOM 0 HH11 ARG A 19 -7.834 14.203 -3.698 1.00 13.44 H new ATOM 0 HH12 ARG A 19 -8.106 15.297 -5.058 1.00 13.44 H new ATOM 0 HH21 ARG A 19 -11.599 14.995 -4.971 1.00 51.00 H new ATOM 0 HH22 ARG A 19 -10.210 15.739 -5.770 1.00 51.00 H new ATOM 245 N THR A 20 -9.703 8.196 0.164 1.00 51.33 N ATOM 246 CA THR A 20 -9.031 6.966 0.427 1.00 73.22 C ATOM 247 C THR A 20 -8.336 6.508 -0.842 1.00 14.54 C ATOM 248 O THR A 20 -8.826 6.766 -1.945 1.00 50.35 O ATOM 249 CB THR A 20 -10.031 5.874 0.908 1.00 72.44 C ATOM 250 OG1 THR A 20 -11.083 5.701 -0.063 1.00 31.54 O ATOM 251 CG2 THR A 20 -10.654 6.258 2.239 1.00 34.54 C ATOM 0 H THR A 20 -10.261 8.190 -0.690 1.00 51.33 H new ATOM 0 HA THR A 20 -8.300 7.123 1.220 1.00 73.22 H new ATOM 0 HB THR A 20 -9.476 4.943 1.026 1.00 72.44 H new ATOM 0 HG1 THR A 20 -11.705 5.011 0.248 1.00 31.54 H new ATOM 0 HG21 THR A 20 -11.349 5.479 2.554 1.00 34.54 H new ATOM 0 HG22 THR A 20 -9.871 6.370 2.989 1.00 34.54 H new ATOM 0 HG23 THR A 20 -11.190 7.201 2.131 1.00 34.54 H new ATOM 259 N TYR A 21 -7.189 5.918 -0.706 1.00 55.15 N ATOM 260 CA TYR A 21 -6.492 5.357 -1.831 1.00 3.04 C ATOM 261 C TYR A 21 -5.984 3.998 -1.415 1.00 74.20 C ATOM 262 O TYR A 21 -5.483 3.842 -0.302 1.00 3.40 O ATOM 263 CB TYR A 21 -5.330 6.277 -2.277 1.00 42.45 C ATOM 264 CG TYR A 21 -4.600 5.822 -3.539 1.00 4.53 C ATOM 265 CD1 TYR A 21 -5.160 6.017 -4.795 1.00 33.52 C ATOM 266 CD2 TYR A 21 -3.350 5.214 -3.470 1.00 61.44 C ATOM 267 CE1 TYR A 21 -4.499 5.617 -5.945 1.00 10.52 C ATOM 268 CE2 TYR A 21 -2.684 4.811 -4.613 1.00 44.55 C ATOM 269 CZ TYR A 21 -3.262 5.013 -5.847 1.00 41.43 C ATOM 270 OH TYR A 21 -2.602 4.617 -6.991 1.00 25.55 O ATOM 0 H TYR A 21 -6.706 5.810 0.186 1.00 55.15 H new ATOM 0 HA TYR A 21 -7.161 5.263 -2.686 1.00 3.04 H new ATOM 0 HB2 TYR A 21 -5.723 7.280 -2.443 1.00 42.45 H new ATOM 0 HB3 TYR A 21 -4.609 6.348 -1.463 1.00 42.45 H new ATOM 0 HD1 TYR A 21 -6.128 6.489 -4.877 1.00 33.52 H new ATOM 0 HD2 TYR A 21 -2.891 5.054 -2.505 1.00 61.44 H new ATOM 0 HE1 TYR A 21 -4.950 5.777 -6.913 1.00 10.52 H new ATOM 0 HE2 TYR A 21 -1.715 4.340 -4.539 1.00 44.55 H new ATOM 0 HH TYR A 21 -1.744 4.210 -6.749 1.00 25.55 H new ATOM 280 N GLN A 22 -6.166 3.016 -2.247 1.00 33.01 N ATOM 281 CA GLN A 22 -5.707 1.694 -1.933 1.00 53.45 C ATOM 282 C GLN A 22 -4.546 1.355 -2.833 1.00 42.21 C ATOM 283 O GLN A 22 -4.582 1.633 -4.038 1.00 35.20 O ATOM 284 CB GLN A 22 -6.839 0.665 -2.046 1.00 21.00 C ATOM 285 CG GLN A 22 -6.447 -0.744 -1.596 1.00 2.31 C ATOM 286 CD GLN A 22 -7.623 -1.694 -1.573 1.00 1.45 C ATOM 287 OE1 GLN A 22 -8.757 -1.284 -1.353 1.00 32.03 O ATOM 288 NE2 GLN A 22 -7.368 -2.961 -1.775 1.00 42.44 N ATOM 0 H GLN A 22 -6.630 3.105 -3.151 1.00 33.01 H new ATOM 0 HA GLN A 22 -5.372 1.664 -0.896 1.00 53.45 H new ATOM 0 HB2 GLN A 22 -7.685 1.004 -1.448 1.00 21.00 H new ATOM 0 HB3 GLN A 22 -7.177 0.624 -3.082 1.00 21.00 H new ATOM 0 HG2 GLN A 22 -5.681 -1.136 -2.266 1.00 2.31 H new ATOM 0 HG3 GLN A 22 -6.005 -0.694 -0.601 1.00 2.31 H new ATOM 0 HE21 GLN A 22 -6.412 -3.266 -1.955 1.00 42.44 H new ATOM 0 HE22 GLN A 22 -8.126 -3.644 -1.752 1.00 42.44 H new ATOM 297 N LEU A 23 -3.526 0.798 -2.247 1.00 21.20 N ATOM 298 CA LEU A 23 -2.311 0.473 -2.951 1.00 22.13 C ATOM 299 C LEU A 23 -2.497 -0.711 -3.863 1.00 73.34 C ATOM 300 O LEU A 23 -3.013 -1.762 -3.448 1.00 63.43 O ATOM 301 CB LEU A 23 -1.187 0.163 -1.966 1.00 50.34 C ATOM 302 CG LEU A 23 -0.788 1.274 -1.003 1.00 5.20 C ATOM 303 CD1 LEU A 23 0.352 0.807 -0.126 1.00 44.42 C ATOM 304 CD2 LEU A 23 -0.389 2.527 -1.760 1.00 54.32 C ATOM 0 H LEU A 23 -3.510 0.553 -1.257 1.00 21.20 H new ATOM 0 HA LEU A 23 -2.049 1.343 -3.553 1.00 22.13 H new ATOM 0 HB2 LEU A 23 -1.482 -0.706 -1.378 1.00 50.34 H new ATOM 0 HB3 LEU A 23 -0.304 -0.123 -2.538 1.00 50.34 H new ATOM 0 HG LEU A 23 -1.647 1.515 -0.376 1.00 5.20 H new ATOM 0 HD11 LEU A 23 0.633 1.605 0.561 1.00 44.42 H new ATOM 0 HD12 LEU A 23 0.038 -0.068 0.444 1.00 44.42 H new ATOM 0 HD13 LEU A 23 1.207 0.546 -0.749 1.00 44.42 H new ATOM 0 HD21 LEU A 23 -0.108 3.306 -1.051 1.00 54.32 H new ATOM 0 HD22 LEU A 23 0.458 2.305 -2.410 1.00 54.32 H new ATOM 0 HD23 LEU A 23 -1.229 2.871 -2.363 1.00 54.32 H new ATOM 316 N ARG A 24 -2.118 -0.538 -5.096 1.00 34.44 N ATOM 317 CA ARG A 24 -2.083 -1.625 -6.029 1.00 40.21 C ATOM 318 C ARG A 24 -0.625 -1.958 -6.162 1.00 22.45 C ATOM 319 O ARG A 24 0.221 -1.068 -5.941 1.00 5.11 O ATOM 320 CB ARG A 24 -2.653 -1.221 -7.393 1.00 71.11 C ATOM 321 CG ARG A 24 -3.978 -0.470 -7.328 1.00 13.23 C ATOM 322 CD ARG A 24 -5.069 -1.240 -6.597 1.00 33.32 C ATOM 323 NE ARG A 24 -6.285 -0.424 -6.484 1.00 64.20 N ATOM 324 CZ ARG A 24 -7.378 -0.723 -5.768 1.00 25.21 C ATOM 325 NH1 ARG A 24 -7.470 -1.879 -5.105 1.00 72.42 N ATOM 326 NH2 ARG A 24 -8.382 0.137 -5.734 1.00 1.14 N ATOM 0 H ARG A 24 -1.825 0.359 -5.482 1.00 34.44 H new ATOM 0 HA ARG A 24 -2.686 -2.465 -5.685 1.00 40.21 H new ATOM 0 HB2 ARG A 24 -1.922 -0.598 -7.908 1.00 71.11 H new ATOM 0 HB3 ARG A 24 -2.788 -2.119 -7.996 1.00 71.11 H new ATOM 0 HG2 ARG A 24 -3.822 0.487 -6.830 1.00 13.23 H new ATOM 0 HG3 ARG A 24 -4.314 -0.251 -8.341 1.00 13.23 H new ATOM 0 HD2 ARG A 24 -5.292 -2.163 -7.132 1.00 33.32 H new ATOM 0 HD3 ARG A 24 -4.720 -1.523 -5.604 1.00 33.32 H new ATOM 0 HE ARG A 24 -6.299 0.455 -7.000 1.00 64.20 H new ATOM 0 HH11 ARG A 24 -6.702 -2.549 -5.139 1.00 72.42 H new ATOM 0 HH12 ARG A 24 -8.309 -2.092 -4.565 1.00 72.42 H new ATOM 0 HH21 ARG A 24 -8.319 1.015 -6.249 1.00 1.14 H new ATOM 0 HH22 ARG A 24 -9.220 -0.078 -5.193 1.00 1.14 H new ATOM 340 N GLU A 25 -0.299 -3.186 -6.494 1.00 72.31 N ATOM 341 CA GLU A 25 1.097 -3.585 -6.506 1.00 11.55 C ATOM 342 C GLU A 25 1.941 -2.802 -7.508 1.00 13.35 C ATOM 343 O GLU A 25 1.486 -2.423 -8.604 1.00 2.13 O ATOM 344 CB GLU A 25 1.299 -5.080 -6.646 1.00 62.24 C ATOM 345 CG GLU A 25 0.853 -5.675 -7.950 1.00 72.34 C ATOM 346 CD GLU A 25 1.276 -7.098 -8.034 1.00 4.05 C ATOM 347 OE1 GLU A 25 2.443 -7.351 -8.420 1.00 33.11 O ATOM 348 OE2 GLU A 25 0.478 -7.996 -7.676 1.00 55.51 O ATOM 0 H GLU A 25 -0.963 -3.915 -6.755 1.00 72.31 H new ATOM 0 HA GLU A 25 1.465 -3.319 -5.515 1.00 11.55 H new ATOM 0 HB2 GLU A 25 2.358 -5.300 -6.510 1.00 62.24 H new ATOM 0 HB3 GLU A 25 0.764 -5.578 -5.838 1.00 62.24 H new ATOM 0 HG2 GLU A 25 -0.231 -5.604 -8.039 1.00 72.34 H new ATOM 0 HG3 GLU A 25 1.279 -5.111 -8.780 1.00 72.34 H new ATOM 355 N GLY A 26 3.137 -2.557 -7.104 1.00 75.22 N ATOM 356 CA GLY A 26 4.052 -1.744 -7.819 1.00 21.02 C ATOM 357 C GLY A 26 4.407 -0.595 -6.950 1.00 40.11 C ATOM 358 O GLY A 26 3.896 -0.492 -5.824 1.00 43.54 O ATOM 0 H GLY A 26 3.518 -2.931 -6.235 1.00 75.22 H new ATOM 0 HA2 GLY A 26 4.943 -2.313 -8.084 1.00 21.02 H new ATOM 0 HA3 GLY A 26 3.607 -1.396 -8.751 1.00 21.02 H new ATOM 362 N SER A 27 5.267 0.235 -7.395 1.00 61.42 N ATOM 363 CA SER A 27 5.573 1.384 -6.644 1.00 52.43 C ATOM 364 C SER A 27 4.825 2.551 -7.217 1.00 72.33 C ATOM 365 O SER A 27 4.879 2.823 -8.428 1.00 31.25 O ATOM 366 CB SER A 27 7.071 1.634 -6.557 1.00 34.14 C ATOM 367 OG SER A 27 7.348 2.868 -5.911 1.00 3.03 O ATOM 0 H SER A 27 5.772 0.140 -8.276 1.00 61.42 H new ATOM 0 HA SER A 27 5.251 1.234 -5.614 1.00 52.43 H new ATOM 0 HB2 SER A 27 7.547 0.820 -6.011 1.00 34.14 H new ATOM 0 HB3 SER A 27 7.500 1.640 -7.559 1.00 34.14 H new ATOM 0 HG SER A 27 8.290 3.103 -6.045 1.00 3.03 H new ATOM 373 N ASN A 28 4.096 3.185 -6.383 1.00 44.41 N ATOM 374 CA ASN A 28 3.279 4.295 -6.762 1.00 61.44 C ATOM 375 C ASN A 28 3.860 5.574 -6.234 1.00 31.21 C ATOM 376 O ASN A 28 4.092 5.728 -5.041 1.00 74.42 O ATOM 377 CB ASN A 28 1.807 4.094 -6.346 1.00 53.21 C ATOM 378 CG ASN A 28 1.641 3.665 -4.902 1.00 55.11 C ATOM 379 OD1 ASN A 28 1.671 2.365 -4.672 1.00 25.14 O flip ATOM 380 ND2 ASN A 28 1.493 4.483 -4.008 1.00 31.21 N flip ATOM 0 H ASN A 28 4.041 2.950 -5.392 1.00 44.41 H new ATOM 0 HA ASN A 28 3.273 4.362 -7.850 1.00 61.44 H new ATOM 0 HB2 ASN A 28 1.262 5.025 -6.505 1.00 53.21 H new ATOM 0 HB3 ASN A 28 1.354 3.344 -6.994 1.00 53.21 H new ATOM 0 HD21 ASN A 28 1.475 5.479 -4.226 1.00 31.21 H new ATOM 0 HD22 ASN A 28 1.387 4.170 -3.043 1.00 31.21 H new ATOM 387 N ILE A 29 4.162 6.458 -7.146 1.00 51.24 N ATOM 388 CA ILE A 29 4.767 7.720 -6.821 1.00 74.01 C ATOM 389 C ILE A 29 3.698 8.751 -6.466 1.00 40.24 C ATOM 390 O ILE A 29 2.735 8.956 -7.208 1.00 40.12 O ATOM 391 CB ILE A 29 5.659 8.228 -7.990 1.00 33.31 C ATOM 392 CG1 ILE A 29 6.749 7.184 -8.303 1.00 35.14 C ATOM 393 CG2 ILE A 29 6.290 9.581 -7.650 1.00 63.21 C ATOM 394 CD1 ILE A 29 7.653 7.548 -9.464 1.00 51.11 C ATOM 0 H ILE A 29 3.994 6.321 -8.143 1.00 51.24 H new ATOM 0 HA ILE A 29 5.407 7.576 -5.950 1.00 74.01 H new ATOM 0 HB ILE A 29 5.034 8.366 -8.872 1.00 33.31 H new ATOM 0 HG12 ILE A 29 7.362 7.039 -7.413 1.00 35.14 H new ATOM 0 HG13 ILE A 29 6.269 6.229 -8.518 1.00 35.14 H new ATOM 0 HG21 ILE A 29 6.909 9.914 -8.484 1.00 63.21 H new ATOM 0 HG22 ILE A 29 5.504 10.313 -7.467 1.00 63.21 H new ATOM 0 HG23 ILE A 29 6.908 9.480 -6.757 1.00 63.21 H new ATOM 0 HD11 ILE A 29 8.389 6.758 -9.613 1.00 51.11 H new ATOM 0 HD12 ILE A 29 7.055 7.663 -10.368 1.00 51.11 H new ATOM 0 HD13 ILE A 29 8.165 8.485 -9.246 1.00 51.11 H new ATOM 406 N ILE A 30 3.884 9.352 -5.342 1.00 13.32 N ATOM 407 CA ILE A 30 3.025 10.354 -4.787 1.00 51.20 C ATOM 408 C ILE A 30 3.686 11.729 -4.997 1.00 65.21 C ATOM 409 O ILE A 30 4.837 11.951 -4.574 1.00 30.23 O ATOM 410 CB ILE A 30 2.796 10.024 -3.261 1.00 14.41 C ATOM 411 CG1 ILE A 30 1.939 8.741 -3.133 1.00 41.02 C ATOM 412 CG2 ILE A 30 2.211 11.170 -2.465 1.00 62.52 C ATOM 413 CD1 ILE A 30 1.641 8.305 -1.710 1.00 42.43 C ATOM 0 H ILE A 30 4.686 9.149 -4.746 1.00 13.32 H new ATOM 0 HA ILE A 30 2.051 10.372 -5.275 1.00 51.20 H new ATOM 0 HB ILE A 30 3.778 9.854 -2.819 1.00 14.41 H new ATOM 0 HG12 ILE A 30 0.994 8.900 -3.653 1.00 41.02 H new ATOM 0 HG13 ILE A 30 2.452 7.927 -3.646 1.00 41.02 H new ATOM 0 HG21 ILE A 30 2.084 10.864 -1.427 1.00 62.52 H new ATOM 0 HG22 ILE A 30 2.884 12.026 -2.511 1.00 62.52 H new ATOM 0 HG23 ILE A 30 1.243 11.446 -2.883 1.00 62.52 H new ATOM 0 HD11 ILE A 30 1.036 7.398 -1.726 1.00 42.43 H new ATOM 0 HD12 ILE A 30 2.576 8.108 -1.187 1.00 42.43 H new ATOM 0 HD13 ILE A 30 1.096 9.095 -1.194 1.00 42.43 H new ATOM 425 N GLY A 31 3.001 12.607 -5.714 1.00 1.21 N ATOM 426 CA GLY A 31 3.523 13.934 -5.994 1.00 51.13 C ATOM 427 C GLY A 31 2.720 14.626 -7.059 1.00 43.01 C ATOM 428 O GLY A 31 1.527 14.389 -7.174 1.00 14.35 O ATOM 0 H GLY A 31 2.080 12.423 -6.113 1.00 1.21 H new ATOM 0 HA2 GLY A 31 3.511 14.531 -5.082 1.00 51.13 H new ATOM 0 HA3 GLY A 31 4.563 13.858 -6.312 1.00 51.13 H new ATOM 432 N ARG A 32 3.330 15.512 -7.803 1.00 74.10 N ATOM 433 CA ARG A 32 2.641 16.166 -8.904 1.00 1.20 C ATOM 434 C ARG A 32 3.504 16.116 -10.139 1.00 2.35 C ATOM 435 O ARG A 32 4.466 16.866 -10.249 1.00 45.22 O ATOM 436 CB ARG A 32 2.377 17.632 -8.572 1.00 51.42 C ATOM 437 CG ARG A 32 1.543 17.864 -7.343 1.00 22.21 C ATOM 438 CD ARG A 32 1.297 19.347 -7.135 1.00 0.52 C ATOM 439 NE ARG A 32 2.541 20.076 -6.840 1.00 41.32 N ATOM 440 CZ ARG A 32 2.701 21.400 -6.915 1.00 72.44 C ATOM 441 NH1 ARG A 32 1.715 22.182 -7.355 1.00 31.44 N ATOM 442 NH2 ARG A 32 3.850 21.932 -6.554 1.00 63.34 N ATOM 0 H ARG A 32 4.299 15.802 -7.674 1.00 74.10 H new ATOM 0 HA ARG A 32 1.696 15.649 -9.072 1.00 1.20 H new ATOM 0 HB2 ARG A 32 3.334 18.138 -8.445 1.00 51.42 H new ATOM 0 HB3 ARG A 32 1.881 18.098 -9.423 1.00 51.42 H new ATOM 0 HG2 ARG A 32 0.591 17.342 -7.440 1.00 22.21 H new ATOM 0 HG3 ARG A 32 2.048 17.448 -6.471 1.00 22.21 H new ATOM 0 HD2 ARG A 32 0.834 19.766 -8.028 1.00 0.52 H new ATOM 0 HD3 ARG A 32 0.592 19.486 -6.315 1.00 0.52 H new ATOM 0 HE ARG A 32 3.349 19.523 -6.554 1.00 41.32 H new ATOM 0 HH11 ARG A 32 0.826 21.771 -7.639 1.00 31.44 H new ATOM 0 HH12 ARG A 32 1.850 23.192 -7.408 1.00 31.44 H new ATOM 0 HH21 ARG A 32 4.607 21.334 -6.221 1.00 63.34 H new ATOM 0 HH22 ARG A 32 3.984 22.942 -6.607 1.00 63.34 H new ATOM 456 N GLY A 33 3.164 15.270 -11.062 1.00 1.35 N ATOM 457 CA GLY A 33 3.933 15.162 -12.258 1.00 2.34 C ATOM 458 C GLY A 33 3.424 14.066 -13.129 1.00 3.03 C ATOM 459 O GLY A 33 2.309 13.571 -12.922 1.00 55.11 O ATOM 0 H GLY A 33 2.359 14.646 -11.008 1.00 1.35 H new ATOM 0 HA2 GLY A 33 3.900 16.107 -12.801 1.00 2.34 H new ATOM 0 HA3 GLY A 33 4.977 14.975 -12.007 1.00 2.34 H new ATOM 463 N GLN A 34 4.237 13.664 -14.077 1.00 11.13 N ATOM 464 CA GLN A 34 3.914 12.569 -14.976 1.00 61.44 C ATOM 465 C GLN A 34 4.345 11.254 -14.330 1.00 73.33 C ATOM 466 O GLN A 34 3.703 10.222 -14.494 1.00 14.14 O ATOM 467 CB GLN A 34 4.635 12.759 -16.312 1.00 75.05 C ATOM 468 CG GLN A 34 4.323 14.078 -16.997 1.00 3.20 C ATOM 469 CD GLN A 34 5.113 14.281 -18.270 1.00 14.43 C ATOM 470 OE1 GLN A 34 6.215 14.816 -18.245 1.00 71.40 O ATOM 471 NE2 GLN A 34 4.565 13.871 -19.382 1.00 43.21 N ATOM 0 H GLN A 34 5.149 14.087 -14.252 1.00 11.13 H new ATOM 0 HA GLN A 34 2.840 12.551 -15.161 1.00 61.44 H new ATOM 0 HB2 GLN A 34 5.710 12.692 -16.146 1.00 75.05 H new ATOM 0 HB3 GLN A 34 4.364 11.941 -16.980 1.00 75.05 H new ATOM 0 HG2 GLN A 34 3.258 14.120 -17.226 1.00 3.20 H new ATOM 0 HG3 GLN A 34 4.534 14.897 -16.310 1.00 3.20 H new ATOM 0 HE21 GLN A 34 3.646 13.430 -19.365 1.00 43.21 H new ATOM 0 HE22 GLN A 34 5.056 13.992 -20.268 1.00 43.21 H new ATOM 480 N ASP A 35 5.444 11.319 -13.582 1.00 11.43 N ATOM 481 CA ASP A 35 5.994 10.165 -12.851 1.00 54.22 C ATOM 482 C ASP A 35 5.051 9.775 -11.737 1.00 54.32 C ATOM 483 O ASP A 35 4.911 8.596 -11.388 1.00 41.14 O ATOM 484 CB ASP A 35 7.352 10.524 -12.216 1.00 50.21 C ATOM 485 CG ASP A 35 8.419 10.933 -13.200 1.00 54.23 C ATOM 486 OD1 ASP A 35 8.308 12.031 -13.790 1.00 65.23 O ATOM 487 OD2 ASP A 35 9.421 10.193 -13.366 1.00 11.53 O ATOM 0 H ASP A 35 5.985 12.175 -13.461 1.00 11.43 H new ATOM 0 HA ASP A 35 6.120 9.345 -13.557 1.00 54.22 H new ATOM 0 HB2 ASP A 35 7.202 11.336 -11.505 1.00 50.21 H new ATOM 0 HB3 ASP A 35 7.710 9.666 -11.648 1.00 50.21 H new ATOM 492 N ALA A 36 4.406 10.776 -11.185 1.00 1.53 N ATOM 493 CA ALA A 36 3.496 10.602 -10.091 1.00 53.54 C ATOM 494 C ALA A 36 2.274 9.827 -10.528 1.00 71.02 C ATOM 495 O ALA A 36 1.646 10.154 -11.529 1.00 11.43 O ATOM 496 CB ALA A 36 3.094 11.950 -9.519 1.00 12.45 C ATOM 0 H ALA A 36 4.504 11.744 -11.491 1.00 1.53 H new ATOM 0 HA ALA A 36 4.001 10.030 -9.313 1.00 53.54 H new ATOM 0 HB1 ALA A 36 2.403 11.802 -8.689 1.00 12.45 H new ATOM 0 HB2 ALA A 36 3.981 12.473 -9.163 1.00 12.45 H new ATOM 0 HB3 ALA A 36 2.609 12.544 -10.294 1.00 12.45 H new ATOM 502 N GLN A 37 1.956 8.804 -9.781 1.00 74.04 N ATOM 503 CA GLN A 37 0.800 7.979 -10.027 1.00 61.22 C ATOM 504 C GLN A 37 -0.361 8.572 -9.245 1.00 62.21 C ATOM 505 O GLN A 37 -1.532 8.414 -9.585 1.00 13.11 O ATOM 506 CB GLN A 37 1.063 6.559 -9.527 1.00 14.14 C ATOM 507 CG GLN A 37 2.286 5.859 -10.120 1.00 63.43 C ATOM 508 CD GLN A 37 2.272 5.801 -11.629 1.00 72.43 C ATOM 509 OE1 GLN A 37 1.703 4.884 -12.220 1.00 22.22 O ATOM 510 NE2 GLN A 37 2.959 6.709 -12.265 1.00 62.31 N ATOM 0 H GLN A 37 2.502 8.514 -8.970 1.00 74.04 H new ATOM 0 HA GLN A 37 0.578 7.944 -11.094 1.00 61.22 H new ATOM 0 HB2 GLN A 37 1.176 6.591 -8.443 1.00 14.14 H new ATOM 0 HB3 GLN A 37 0.183 5.951 -9.737 1.00 14.14 H new ATOM 0 HG2 GLN A 37 3.187 6.378 -9.792 1.00 63.43 H new ATOM 0 HG3 GLN A 37 2.341 4.844 -9.725 1.00 63.43 H new ATOM 0 HE21 GLN A 37 3.419 7.457 -11.746 1.00 62.31 H new ATOM 0 HE22 GLN A 37 3.036 6.671 -13.281 1.00 62.31 H new ATOM 519 N PHE A 38 -0.005 9.245 -8.188 1.00 11.22 N ATOM 520 CA PHE A 38 -0.929 9.918 -7.336 1.00 3.31 C ATOM 521 C PHE A 38 -0.573 11.379 -7.351 1.00 20.14 C ATOM 522 O PHE A 38 0.527 11.757 -6.951 1.00 22.05 O ATOM 523 CB PHE A 38 -0.832 9.328 -5.935 1.00 0.31 C ATOM 524 CG PHE A 38 -1.718 9.952 -4.898 1.00 71.04 C ATOM 525 CD1 PHE A 38 -3.058 9.640 -4.828 1.00 71.53 C ATOM 526 CD2 PHE A 38 -1.189 10.804 -3.959 1.00 53.33 C ATOM 527 CE1 PHE A 38 -3.855 10.173 -3.831 1.00 65.14 C ATOM 528 CE2 PHE A 38 -1.960 11.343 -2.976 1.00 63.34 C ATOM 529 CZ PHE A 38 -3.302 11.028 -2.897 1.00 43.33 C ATOM 0 H PHE A 38 0.966 9.340 -7.891 1.00 11.22 H new ATOM 0 HA PHE A 38 -1.958 9.796 -7.675 1.00 3.31 H new ATOM 0 HB2 PHE A 38 -1.066 8.265 -5.993 1.00 0.31 H new ATOM 0 HB3 PHE A 38 0.202 9.409 -5.598 1.00 0.31 H new ATOM 0 HD1 PHE A 38 -3.490 8.973 -5.559 1.00 71.53 H new ATOM 0 HD2 PHE A 38 -0.139 11.051 -4.002 1.00 53.33 H new ATOM 0 HE1 PHE A 38 -4.904 9.922 -3.783 1.00 65.14 H new ATOM 0 HE2 PHE A 38 -1.522 12.018 -2.256 1.00 63.34 H new ATOM 0 HZ PHE A 38 -3.914 11.446 -2.112 1.00 43.33 H new ATOM 539 N ARG A 39 -1.475 12.183 -7.850 1.00 24.21 N ATOM 540 CA ARG A 39 -1.231 13.601 -8.009 1.00 45.14 C ATOM 541 C ARG A 39 -1.896 14.397 -6.910 1.00 32.10 C ATOM 542 O ARG A 39 -3.120 14.392 -6.778 1.00 21.44 O ATOM 543 CB ARG A 39 -1.665 14.124 -9.400 1.00 35.05 C ATOM 544 CG ARG A 39 -0.743 13.768 -10.580 1.00 22.32 C ATOM 545 CD ARG A 39 -0.621 12.270 -10.844 1.00 61.20 C ATOM 546 NE ARG A 39 -1.892 11.637 -11.227 1.00 65.20 N ATOM 547 CZ ARG A 39 -1.993 10.563 -12.034 1.00 31.33 C ATOM 548 NH1 ARG A 39 -0.905 9.975 -12.523 1.00 55.13 N ATOM 549 NH2 ARG A 39 -3.178 10.074 -12.342 1.00 14.21 N ATOM 0 H ARG A 39 -2.399 11.879 -8.158 1.00 24.21 H new ATOM 0 HA ARG A 39 -0.153 13.741 -7.935 1.00 45.14 H new ATOM 0 HB2 ARG A 39 -2.661 13.738 -9.615 1.00 35.05 H new ATOM 0 HB3 ARG A 39 -1.749 15.209 -9.347 1.00 35.05 H new ATOM 0 HG2 ARG A 39 -1.118 14.256 -11.480 1.00 22.32 H new ATOM 0 HG3 ARG A 39 0.250 14.174 -10.387 1.00 22.32 H new ATOM 0 HD2 ARG A 39 0.110 12.107 -11.636 1.00 61.20 H new ATOM 0 HD3 ARG A 39 -0.236 11.781 -9.949 1.00 61.20 H new ATOM 0 HE ARG A 39 -2.754 12.038 -10.857 1.00 65.20 H new ATOM 0 HH11 ARG A 39 0.019 10.337 -12.288 1.00 55.13 H new ATOM 0 HH12 ARG A 39 -0.995 9.162 -13.133 1.00 55.13 H new ATOM 0 HH21 ARG A 39 -4.022 10.509 -11.969 1.00 14.21 H new ATOM 0 HH22 ARG A 39 -3.251 9.261 -12.953 1.00 14.21 H new ATOM 563 N LEU A 40 -1.091 15.069 -6.132 1.00 32.14 N ATOM 564 CA LEU A 40 -1.567 15.886 -5.017 1.00 20.54 C ATOM 565 C LEU A 40 -2.113 17.202 -5.514 1.00 74.54 C ATOM 566 O LEU A 40 -1.426 17.918 -6.223 1.00 24.21 O ATOM 567 CB LEU A 40 -0.450 16.172 -3.997 1.00 71.32 C ATOM 568 CG LEU A 40 -0.054 15.051 -3.036 1.00 31.51 C ATOM 569 CD1 LEU A 40 -1.213 14.656 -2.146 1.00 70.41 C ATOM 570 CD2 LEU A 40 0.477 13.867 -3.780 1.00 22.05 C ATOM 0 H LEU A 40 -0.077 15.074 -6.244 1.00 32.14 H new ATOM 0 HA LEU A 40 -2.355 15.315 -4.526 1.00 20.54 H new ATOM 0 HB2 LEU A 40 0.441 16.468 -4.551 1.00 71.32 H new ATOM 0 HB3 LEU A 40 -0.754 17.032 -3.400 1.00 71.32 H new ATOM 0 HG LEU A 40 0.742 15.431 -2.396 1.00 31.51 H new ATOM 0 HD11 LEU A 40 -0.900 13.857 -1.474 1.00 70.41 H new ATOM 0 HD12 LEU A 40 -1.532 15.518 -1.561 1.00 70.41 H new ATOM 0 HD13 LEU A 40 -2.042 14.308 -2.762 1.00 70.41 H new ATOM 0 HD21 LEU A 40 0.751 13.085 -3.072 1.00 22.05 H new ATOM 0 HD22 LEU A 40 -0.289 13.490 -4.458 1.00 22.05 H new ATOM 0 HD23 LEU A 40 1.356 14.162 -4.353 1.00 22.05 H new ATOM 582 N PRO A 41 -3.347 17.544 -5.174 1.00 52.23 N ATOM 583 CA PRO A 41 -3.948 18.819 -5.576 1.00 63.44 C ATOM 584 C PRO A 41 -3.408 20.039 -4.784 1.00 12.22 C ATOM 585 O PRO A 41 -3.855 21.176 -5.005 1.00 34.30 O ATOM 586 CB PRO A 41 -5.452 18.624 -5.300 1.00 1.14 C ATOM 587 CG PRO A 41 -5.613 17.169 -4.991 1.00 20.54 C ATOM 588 CD PRO A 41 -4.303 16.717 -4.425 1.00 32.02 C ATOM 0 HA PRO A 41 -3.713 19.046 -6.616 1.00 63.44 H new ATOM 0 HB2 PRO A 41 -5.782 19.242 -4.465 1.00 1.14 H new ATOM 0 HB3 PRO A 41 -6.051 18.911 -6.165 1.00 1.14 H new ATOM 0 HG2 PRO A 41 -6.422 17.009 -4.278 1.00 20.54 H new ATOM 0 HG3 PRO A 41 -5.865 16.605 -5.889 1.00 20.54 H new ATOM 0 HD2 PRO A 41 -4.240 16.892 -3.351 1.00 32.02 H new ATOM 0 HD3 PRO A 41 -4.135 15.652 -4.585 1.00 32.02 H new ATOM 596 N ASP A 42 -2.451 19.825 -3.891 1.00 64.04 N ATOM 597 CA ASP A 42 -1.906 20.926 -3.100 1.00 13.31 C ATOM 598 C ASP A 42 -0.521 21.276 -3.661 1.00 3.12 C ATOM 599 O ASP A 42 -0.120 20.744 -4.695 1.00 30.31 O ATOM 600 CB ASP A 42 -1.797 20.528 -1.609 1.00 71.44 C ATOM 601 CG ASP A 42 -1.846 21.725 -0.649 1.00 23.22 C ATOM 602 OD1 ASP A 42 -1.326 22.820 -0.970 1.00 75.33 O ATOM 603 OD2 ASP A 42 -2.485 21.612 0.415 1.00 61.12 O ATOM 0 H ASP A 42 -2.039 18.913 -3.696 1.00 64.04 H new ATOM 0 HA ASP A 42 -2.568 21.790 -3.163 1.00 13.31 H new ATOM 0 HB2 ASP A 42 -2.609 19.843 -1.364 1.00 71.44 H new ATOM 0 HB3 ASP A 42 -0.864 19.986 -1.453 1.00 71.44 H new ATOM 608 N THR A 43 0.186 22.147 -3.008 1.00 14.31 N ATOM 609 CA THR A 43 1.494 22.545 -3.421 1.00 63.55 C ATOM 610 C THR A 43 2.474 22.316 -2.249 1.00 30.24 C ATOM 611 O THR A 43 2.048 22.070 -1.117 1.00 4.12 O ATOM 612 CB THR A 43 1.505 24.027 -3.911 1.00 75.45 C ATOM 613 OG1 THR A 43 2.782 24.365 -4.488 1.00 33.32 O ATOM 614 CG2 THR A 43 1.183 24.991 -2.772 1.00 64.35 C ATOM 0 H THR A 43 -0.137 22.609 -2.158 1.00 14.31 H new ATOM 0 HA THR A 43 1.812 21.940 -4.270 1.00 63.55 H new ATOM 0 HB THR A 43 0.733 24.124 -4.674 1.00 75.45 H new ATOM 0 HG1 THR A 43 2.768 25.297 -4.790 1.00 33.32 H new ATOM 0 HG21 THR A 43 1.199 26.015 -3.146 1.00 64.35 H new ATOM 0 HG22 THR A 43 0.194 24.766 -2.373 1.00 64.35 H new ATOM 0 HG23 THR A 43 1.926 24.882 -1.982 1.00 64.35 H new ATOM 622 N GLY A 44 3.766 22.378 -2.521 1.00 61.33 N ATOM 623 CA GLY A 44 4.762 22.063 -1.506 1.00 64.12 C ATOM 624 C GLY A 44 5.202 20.632 -1.684 1.00 14.51 C ATOM 625 O GLY A 44 6.088 20.119 -0.995 1.00 20.24 O ATOM 0 H GLY A 44 4.150 22.641 -3.428 1.00 61.33 H new ATOM 0 HA2 GLY A 44 5.616 22.734 -1.595 1.00 64.12 H new ATOM 0 HA3 GLY A 44 4.344 22.208 -0.510 1.00 64.12 H new ATOM 629 N VAL A 45 4.556 20.012 -2.625 1.00 61.23 N ATOM 630 CA VAL A 45 4.781 18.668 -3.014 1.00 75.01 C ATOM 631 C VAL A 45 5.365 18.691 -4.437 1.00 73.32 C ATOM 632 O VAL A 45 4.862 19.408 -5.319 1.00 23.13 O ATOM 633 CB VAL A 45 3.440 17.853 -2.935 1.00 21.03 C ATOM 634 CG1 VAL A 45 2.336 18.510 -3.738 1.00 22.42 C ATOM 635 CG2 VAL A 45 3.640 16.413 -3.366 1.00 73.54 C ATOM 0 H VAL A 45 3.819 20.463 -3.167 1.00 61.23 H new ATOM 0 HA VAL A 45 5.485 18.173 -2.346 1.00 75.01 H new ATOM 0 HB VAL A 45 3.130 17.850 -1.890 1.00 21.03 H new ATOM 0 HG11 VAL A 45 1.425 17.916 -3.658 1.00 22.42 H new ATOM 0 HG12 VAL A 45 2.151 19.512 -3.351 1.00 22.42 H new ATOM 0 HG13 VAL A 45 2.636 18.575 -4.784 1.00 22.42 H new ATOM 0 HG21 VAL A 45 2.693 15.878 -3.299 1.00 73.54 H new ATOM 0 HG22 VAL A 45 3.999 16.388 -4.395 1.00 73.54 H new ATOM 0 HG23 VAL A 45 4.372 15.937 -2.714 1.00 73.54 H new ATOM 645 N SER A 46 6.429 17.969 -4.640 1.00 60.11 N ATOM 646 CA SER A 46 7.129 17.982 -5.905 1.00 13.13 C ATOM 647 C SER A 46 6.642 16.850 -6.844 1.00 10.32 C ATOM 648 O SER A 46 5.713 16.116 -6.498 1.00 54.42 O ATOM 649 CB SER A 46 8.623 17.905 -5.620 1.00 4.02 C ATOM 650 OG SER A 46 8.999 18.956 -4.721 1.00 72.25 O ATOM 0 H SER A 46 6.840 17.353 -3.938 1.00 60.11 H new ATOM 0 HA SER A 46 6.915 18.908 -6.439 1.00 13.13 H new ATOM 0 HB2 SER A 46 8.871 16.936 -5.186 1.00 4.02 H new ATOM 0 HB3 SER A 46 9.185 17.991 -6.550 1.00 4.02 H new ATOM 0 HG SER A 46 9.960 18.902 -4.539 1.00 72.25 H new ATOM 656 N ARG A 47 7.258 16.730 -8.036 1.00 31.01 N ATOM 657 CA ARG A 47 6.850 15.731 -9.050 1.00 3.03 C ATOM 658 C ARG A 47 7.049 14.320 -8.561 1.00 3.42 C ATOM 659 O ARG A 47 6.268 13.416 -8.866 1.00 11.43 O ATOM 660 CB ARG A 47 7.550 15.963 -10.408 1.00 12.44 C ATOM 661 CG ARG A 47 9.070 15.980 -10.357 1.00 62.14 C ATOM 662 CD ARG A 47 9.670 16.257 -11.722 1.00 32.45 C ATOM 663 NE ARG A 47 9.393 15.189 -12.698 1.00 32.43 N ATOM 664 CZ ARG A 47 9.704 15.243 -14.008 1.00 52.23 C ATOM 665 NH1 ARG A 47 10.257 16.333 -14.530 1.00 52.40 N ATOM 666 NH2 ARG A 47 9.453 14.206 -14.782 1.00 71.43 N ATOM 0 H ARG A 47 8.043 17.314 -8.324 1.00 31.01 H new ATOM 0 HA ARG A 47 5.781 15.870 -9.212 1.00 3.03 H new ATOM 0 HB2 ARG A 47 7.234 15.182 -11.100 1.00 12.44 H new ATOM 0 HB3 ARG A 47 7.205 16.912 -10.819 1.00 12.44 H new ATOM 0 HG2 ARG A 47 9.403 16.741 -9.651 1.00 62.14 H new ATOM 0 HG3 ARG A 47 9.433 15.021 -9.987 1.00 62.14 H new ATOM 0 HD2 ARG A 47 9.276 17.200 -12.102 1.00 32.45 H new ATOM 0 HD3 ARG A 47 10.748 16.379 -11.621 1.00 32.45 H new ATOM 0 HE ARG A 47 8.931 14.346 -12.357 1.00 32.43 H new ATOM 0 HH11 ARG A 47 10.450 17.140 -13.938 1.00 52.40 H new ATOM 0 HH12 ARG A 47 10.488 16.362 -15.523 1.00 52.40 H new ATOM 0 HH21 ARG A 47 9.025 13.368 -14.389 1.00 71.43 H new ATOM 0 HH22 ARG A 47 9.686 14.242 -15.774 1.00 71.43 H new ATOM 680 N ARG A 48 8.086 14.151 -7.825 1.00 21.45 N ATOM 681 CA ARG A 48 8.416 12.939 -7.181 1.00 51.43 C ATOM 682 C ARG A 48 8.765 13.314 -5.783 1.00 62.11 C ATOM 683 O ARG A 48 9.813 13.881 -5.533 1.00 12.15 O ATOM 684 CB ARG A 48 9.577 12.241 -7.884 1.00 22.42 C ATOM 685 CG ARG A 48 9.229 11.744 -9.277 1.00 22.42 C ATOM 686 CD ARG A 48 10.414 11.120 -9.976 1.00 62.23 C ATOM 687 NE ARG A 48 11.490 12.080 -10.176 1.00 25.23 N ATOM 688 CZ ARG A 48 12.196 12.220 -11.298 1.00 32.10 C ATOM 689 NH1 ARG A 48 11.865 11.538 -12.406 1.00 1.14 N ATOM 690 NH2 ARG A 48 13.209 13.076 -11.320 1.00 31.35 N ATOM 0 H ARG A 48 8.761 14.895 -7.648 1.00 21.45 H new ATOM 0 HA ARG A 48 7.589 12.229 -7.205 1.00 51.43 H new ATOM 0 HB2 ARG A 48 10.418 12.931 -7.952 1.00 22.42 H new ATOM 0 HB3 ARG A 48 9.905 11.397 -7.277 1.00 22.42 H new ATOM 0 HG2 ARG A 48 8.424 11.012 -9.209 1.00 22.42 H new ATOM 0 HG3 ARG A 48 8.854 12.576 -9.874 1.00 22.42 H new ATOM 0 HD2 ARG A 48 10.782 10.279 -9.388 1.00 62.23 H new ATOM 0 HD3 ARG A 48 10.099 10.721 -10.940 1.00 62.23 H new ATOM 0 HE ARG A 48 11.722 12.694 -9.396 1.00 25.23 H new ATOM 0 HH11 ARG A 48 11.066 10.904 -12.395 1.00 1.14 H new ATOM 0 HH12 ARG A 48 12.413 11.653 -13.259 1.00 1.14 H new ATOM 0 HH21 ARG A 48 13.438 13.616 -10.486 1.00 31.35 H new ATOM 0 HH22 ARG A 48 13.759 13.194 -12.171 1.00 31.35 H new ATOM 704 N HIS A 49 7.829 13.134 -4.924 1.00 53.51 N ATOM 705 CA HIS A 49 7.963 13.511 -3.545 1.00 44.24 C ATOM 706 C HIS A 49 8.193 12.269 -2.698 1.00 42.30 C ATOM 707 O HIS A 49 9.092 12.222 -1.874 1.00 60.04 O ATOM 708 CB HIS A 49 6.677 14.264 -3.134 1.00 61.20 C ATOM 709 CG HIS A 49 6.596 14.740 -1.712 1.00 12.13 C ATOM 710 ND1 HIS A 49 6.787 16.067 -1.379 1.00 11.13 N ATOM 711 CD2 HIS A 49 6.266 14.048 -0.602 1.00 5.34 C ATOM 712 CE1 HIS A 49 6.559 16.131 -0.074 1.00 22.40 C ATOM 713 NE2 HIS A 49 6.246 14.936 0.428 1.00 52.10 N ATOM 0 H HIS A 49 6.928 12.714 -5.153 1.00 53.51 H new ATOM 0 HA HIS A 49 8.820 14.167 -3.393 1.00 44.24 H new ATOM 0 HB2 HIS A 49 6.566 15.129 -3.788 1.00 61.20 H new ATOM 0 HB3 HIS A 49 5.826 13.610 -3.322 1.00 61.20 H new ATOM 0 HD2 HIS A 49 6.057 12.990 -0.543 1.00 5.34 H new ATOM 0 HE1 HIS A 49 6.619 17.038 0.509 1.00 22.40 H new ATOM 0 HE2 HIS A 49 6.031 14.727 1.403 1.00 52.10 H new ATOM 721 N LEU A 50 7.397 11.261 -2.947 1.00 21.15 N ATOM 722 CA LEU A 50 7.431 10.032 -2.195 1.00 2.22 C ATOM 723 C LEU A 50 6.919 8.917 -3.091 1.00 64.15 C ATOM 724 O LEU A 50 6.288 9.195 -4.101 1.00 0.03 O ATOM 725 CB LEU A 50 6.569 10.234 -0.906 1.00 34.22 C ATOM 726 CG LEU A 50 6.316 9.042 0.039 1.00 42.24 C ATOM 727 CD1 LEU A 50 5.989 9.564 1.424 1.00 43.12 C ATOM 728 CD2 LEU A 50 5.119 8.235 -0.438 1.00 53.33 C ATOM 0 H LEU A 50 6.697 11.271 -3.689 1.00 21.15 H new ATOM 0 HA LEU A 50 8.437 9.758 -1.878 1.00 2.22 H new ATOM 0 HB2 LEU A 50 7.042 11.021 -0.318 1.00 34.22 H new ATOM 0 HB3 LEU A 50 5.596 10.612 -1.221 1.00 34.22 H new ATOM 0 HG LEU A 50 7.209 8.417 0.053 1.00 42.24 H new ATOM 0 HD11 LEU A 50 5.809 8.725 2.096 1.00 43.12 H new ATOM 0 HD12 LEU A 50 6.826 10.155 1.797 1.00 43.12 H new ATOM 0 HD13 LEU A 50 5.097 10.188 1.376 1.00 43.12 H new ATOM 0 HD21 LEU A 50 4.952 7.397 0.239 1.00 53.33 H new ATOM 0 HD22 LEU A 50 4.234 8.871 -0.453 1.00 53.33 H new ATOM 0 HD23 LEU A 50 5.311 7.858 -1.442 1.00 53.33 H new ATOM 740 N GLU A 51 7.237 7.689 -2.768 1.00 20.14 N ATOM 741 CA GLU A 51 6.743 6.543 -3.490 1.00 63.23 C ATOM 742 C GLU A 51 6.447 5.421 -2.505 1.00 23.41 C ATOM 743 O GLU A 51 7.061 5.341 -1.425 1.00 50.33 O ATOM 744 CB GLU A 51 7.761 6.057 -4.532 1.00 3.50 C ATOM 745 CG GLU A 51 9.071 5.565 -3.938 1.00 52.33 C ATOM 746 CD GLU A 51 10.019 5.025 -4.973 1.00 43.11 C ATOM 747 OE1 GLU A 51 9.806 3.891 -5.477 1.00 53.32 O ATOM 748 OE2 GLU A 51 11.007 5.709 -5.312 1.00 11.02 O ATOM 0 H GLU A 51 7.852 7.454 -1.989 1.00 20.14 H new ATOM 0 HA GLU A 51 5.834 6.833 -4.016 1.00 63.23 H new ATOM 0 HB2 GLU A 51 7.313 5.251 -5.114 1.00 3.50 H new ATOM 0 HB3 GLU A 51 7.972 6.871 -5.225 1.00 3.50 H new ATOM 0 HG2 GLU A 51 9.552 6.385 -3.405 1.00 52.33 H new ATOM 0 HG3 GLU A 51 8.861 4.787 -3.204 1.00 52.33 H new ATOM 755 N ILE A 52 5.494 4.608 -2.824 1.00 54.02 N ATOM 756 CA ILE A 52 5.207 3.463 -2.018 1.00 60.22 C ATOM 757 C ILE A 52 5.407 2.223 -2.847 1.00 44.24 C ATOM 758 O ILE A 52 4.696 2.009 -3.832 1.00 34.43 O ATOM 759 CB ILE A 52 3.772 3.467 -1.448 1.00 13.03 C ATOM 760 CG1 ILE A 52 3.531 4.726 -0.601 1.00 4.42 C ATOM 761 CG2 ILE A 52 3.568 2.208 -0.609 1.00 71.43 C ATOM 762 CD1 ILE A 52 2.124 4.853 -0.046 1.00 50.34 C ATOM 0 H ILE A 52 4.896 4.715 -3.643 1.00 54.02 H new ATOM 0 HA ILE A 52 5.887 3.486 -1.167 1.00 60.22 H new ATOM 0 HB ILE A 52 3.055 3.476 -2.269 1.00 13.03 H new ATOM 0 HG12 ILE A 52 4.237 4.730 0.229 1.00 4.42 H new ATOM 0 HG13 ILE A 52 3.749 5.604 -1.209 1.00 4.42 H new ATOM 0 HG21 ILE A 52 2.557 2.202 -0.202 1.00 71.43 H new ATOM 0 HG22 ILE A 52 3.713 1.327 -1.234 1.00 71.43 H new ATOM 0 HG23 ILE A 52 4.288 2.195 0.209 1.00 71.43 H new ATOM 0 HD11 ILE A 52 2.045 5.770 0.538 1.00 50.34 H new ATOM 0 HD12 ILE A 52 1.410 4.884 -0.869 1.00 50.34 H new ATOM 0 HD13 ILE A 52 1.906 3.996 0.592 1.00 50.34 H new ATOM 774 N ARG A 53 6.365 1.424 -2.468 1.00 43.22 N ATOM 775 CA ARG A 53 6.650 0.211 -3.168 1.00 1.11 C ATOM 776 C ARG A 53 5.841 -0.889 -2.513 1.00 63.42 C ATOM 777 O ARG A 53 6.123 -1.300 -1.381 1.00 73.01 O ATOM 778 CB ARG A 53 8.181 -0.070 -3.147 1.00 30.13 C ATOM 779 CG ARG A 53 8.665 -1.177 -4.092 1.00 22.44 C ATOM 780 CD ARG A 53 8.413 -2.595 -3.571 1.00 73.13 C ATOM 781 NE ARG A 53 9.282 -2.966 -2.436 1.00 12.35 N ATOM 782 CZ ARG A 53 9.303 -4.186 -1.857 1.00 13.05 C ATOM 783 NH1 ARG A 53 8.521 -5.161 -2.309 1.00 43.15 N ATOM 784 NH2 ARG A 53 10.151 -4.440 -0.856 1.00 23.44 N ATOM 0 H ARG A 53 6.968 1.599 -1.664 1.00 43.22 H new ATOM 0 HA ARG A 53 6.369 0.276 -4.219 1.00 1.11 H new ATOM 0 HB2 ARG A 53 8.705 0.852 -3.398 1.00 30.13 H new ATOM 0 HB3 ARG A 53 8.470 -0.334 -2.130 1.00 30.13 H new ATOM 0 HG2 ARG A 53 8.168 -1.061 -5.055 1.00 22.44 H new ATOM 0 HG3 ARG A 53 9.733 -1.050 -4.267 1.00 22.44 H new ATOM 0 HD2 ARG A 53 7.371 -2.681 -3.264 1.00 73.13 H new ATOM 0 HD3 ARG A 53 8.566 -3.305 -4.384 1.00 73.13 H new ATOM 0 HE ARG A 53 9.909 -2.252 -2.064 1.00 12.35 H new ATOM 0 HH11 ARG A 53 7.899 -4.991 -3.099 1.00 43.15 H new ATOM 0 HH12 ARG A 53 8.543 -6.079 -1.866 1.00 43.15 H new ATOM 0 HH21 ARG A 53 10.785 -3.712 -0.527 1.00 23.44 H new ATOM 0 HH22 ARG A 53 10.165 -5.362 -0.421 1.00 23.44 H new ATOM 798 N TRP A 54 4.824 -1.327 -3.196 1.00 2.44 N ATOM 799 CA TRP A 54 3.943 -2.331 -2.675 1.00 52.42 C ATOM 800 C TRP A 54 4.012 -3.606 -3.497 1.00 71.33 C ATOM 801 O TRP A 54 3.995 -3.575 -4.728 1.00 62.24 O ATOM 802 CB TRP A 54 2.489 -1.786 -2.604 1.00 44.00 C ATOM 803 CG TRP A 54 1.426 -2.819 -2.248 1.00 60.40 C ATOM 804 CD1 TRP A 54 0.380 -3.217 -3.023 1.00 63.52 C ATOM 805 CD2 TRP A 54 1.329 -3.595 -1.044 1.00 22.12 C ATOM 806 NE1 TRP A 54 -0.356 -4.175 -2.370 1.00 12.13 N ATOM 807 CE2 TRP A 54 0.203 -4.426 -1.164 1.00 23.50 C ATOM 808 CE3 TRP A 54 2.076 -3.666 0.108 1.00 12.43 C ATOM 809 CZ2 TRP A 54 -0.185 -5.316 -0.165 1.00 53.42 C ATOM 810 CZ3 TRP A 54 1.702 -4.542 1.099 1.00 64.44 C ATOM 811 CH2 TRP A 54 0.580 -5.360 0.961 1.00 0.31 C ATOM 0 H TRP A 54 4.582 -0.998 -4.131 1.00 2.44 H new ATOM 0 HA TRP A 54 4.267 -2.580 -1.664 1.00 52.42 H new ATOM 0 HB2 TRP A 54 2.454 -0.984 -1.867 1.00 44.00 H new ATOM 0 HB3 TRP A 54 2.236 -1.345 -3.568 1.00 44.00 H new ATOM 0 HD1 TRP A 54 0.161 -2.835 -4.009 1.00 63.52 H new ATOM 0 HE1 TRP A 54 -1.194 -4.627 -2.737 1.00 12.13 H new ATOM 0 HE3 TRP A 54 2.947 -3.040 0.233 1.00 12.43 H new ATOM 0 HZ2 TRP A 54 -1.056 -5.945 -0.279 1.00 53.42 H new ATOM 0 HZ3 TRP A 54 2.289 -4.598 2.004 1.00 64.44 H new ATOM 0 HH2 TRP A 54 0.314 -6.038 1.759 1.00 0.31 H new ATOM 822 N ASP A 55 4.138 -4.695 -2.809 1.00 30.14 N ATOM 823 CA ASP A 55 4.081 -6.032 -3.369 1.00 12.52 C ATOM 824 C ASP A 55 3.380 -6.861 -2.355 1.00 20.13 C ATOM 825 O ASP A 55 3.189 -6.391 -1.226 1.00 53.44 O ATOM 826 CB ASP A 55 5.474 -6.653 -3.644 1.00 44.11 C ATOM 827 CG ASP A 55 6.189 -6.079 -4.844 1.00 1.41 C ATOM 828 OD1 ASP A 55 5.835 -6.439 -6.003 1.00 4.10 O ATOM 829 OD2 ASP A 55 7.144 -5.297 -4.660 1.00 41.14 O ATOM 0 H ASP A 55 4.290 -4.691 -1.800 1.00 30.14 H new ATOM 0 HA ASP A 55 3.576 -5.992 -4.334 1.00 12.52 H new ATOM 0 HB2 ASP A 55 6.100 -6.514 -2.763 1.00 44.11 H new ATOM 0 HB3 ASP A 55 5.357 -7.727 -3.786 1.00 44.11 H new ATOM 834 N GLY A 56 3.008 -8.068 -2.702 1.00 31.32 N ATOM 835 CA GLY A 56 2.336 -8.944 -1.751 1.00 75.52 C ATOM 836 C GLY A 56 3.297 -9.492 -0.697 1.00 42.21 C ATOM 837 O GLY A 56 3.573 -10.700 -0.661 1.00 13.01 O ATOM 0 H GLY A 56 3.154 -8.472 -3.627 1.00 31.32 H new ATOM 0 HA2 GLY A 56 1.533 -8.396 -1.259 1.00 75.52 H new ATOM 0 HA3 GLY A 56 1.874 -9.774 -2.286 1.00 75.52 H new ATOM 841 N GLN A 57 3.814 -8.597 0.125 1.00 42.21 N ATOM 842 CA GLN A 57 4.746 -8.907 1.179 1.00 63.21 C ATOM 843 C GLN A 57 4.651 -7.811 2.249 1.00 50.22 C ATOM 844 O GLN A 57 4.063 -8.012 3.313 1.00 62.12 O ATOM 845 CB GLN A 57 6.186 -8.972 0.620 1.00 31.05 C ATOM 846 CG GLN A 57 7.238 -9.404 1.634 1.00 33.23 C ATOM 847 CD GLN A 57 7.077 -10.846 2.068 1.00 35.23 C ATOM 848 OE1 GLN A 57 6.615 -11.688 1.301 1.00 34.11 O ATOM 849 NE2 GLN A 57 7.461 -11.145 3.273 1.00 40.03 N ATOM 0 H GLN A 57 3.586 -7.604 0.071 1.00 42.21 H new ATOM 0 HA GLN A 57 4.503 -9.877 1.612 1.00 63.21 H new ATOM 0 HB2 GLN A 57 6.205 -9.664 -0.222 1.00 31.05 H new ATOM 0 HB3 GLN A 57 6.456 -7.990 0.231 1.00 31.05 H new ATOM 0 HG2 GLN A 57 8.230 -9.268 1.202 1.00 33.23 H new ATOM 0 HG3 GLN A 57 7.180 -8.757 2.509 1.00 33.23 H new ATOM 0 HE21 GLN A 57 7.840 -10.420 3.882 1.00 40.03 H new ATOM 0 HE22 GLN A 57 7.384 -12.105 3.610 1.00 40.03 H new ATOM 858 N VAL A 58 5.188 -6.642 1.927 1.00 44.04 N ATOM 859 CA VAL A 58 5.208 -5.486 2.821 1.00 32.53 C ATOM 860 C VAL A 58 5.028 -4.223 2.010 1.00 21.12 C ATOM 861 O VAL A 58 5.255 -4.229 0.788 1.00 53.12 O ATOM 862 CB VAL A 58 6.537 -5.361 3.648 1.00 63.02 C ATOM 863 CG1 VAL A 58 6.671 -6.469 4.679 1.00 52.31 C ATOM 864 CG2 VAL A 58 7.756 -5.339 2.730 1.00 14.42 C ATOM 0 H VAL A 58 5.629 -6.465 1.025 1.00 44.04 H new ATOM 0 HA VAL A 58 4.393 -5.628 3.531 1.00 32.53 H new ATOM 0 HB VAL A 58 6.489 -4.413 4.184 1.00 63.02 H new ATOM 0 HG11 VAL A 58 7.604 -6.344 5.228 1.00 52.31 H new ATOM 0 HG12 VAL A 58 5.832 -6.423 5.374 1.00 52.31 H new ATOM 0 HG13 VAL A 58 6.673 -7.436 4.176 1.00 52.31 H new ATOM 0 HG21 VAL A 58 8.662 -5.252 3.330 1.00 14.42 H new ATOM 0 HG22 VAL A 58 7.792 -6.262 2.151 1.00 14.42 H new ATOM 0 HG23 VAL A 58 7.686 -4.488 2.053 1.00 14.42 H new ATOM 874 N ALA A 59 4.609 -3.171 2.660 1.00 1.14 N ATOM 875 CA ALA A 59 4.425 -1.897 2.016 1.00 22.24 C ATOM 876 C ALA A 59 5.565 -0.987 2.385 1.00 34.55 C ATOM 877 O ALA A 59 5.652 -0.482 3.516 1.00 63.04 O ATOM 878 CB ALA A 59 3.092 -1.286 2.394 1.00 70.04 C ATOM 0 H ALA A 59 4.385 -3.173 3.655 1.00 1.14 H new ATOM 0 HA ALA A 59 4.419 -2.038 0.935 1.00 22.24 H new ATOM 0 HB1 ALA A 59 2.978 -0.324 1.894 1.00 70.04 H new ATOM 0 HB2 ALA A 59 2.286 -1.953 2.087 1.00 70.04 H new ATOM 0 HB3 ALA A 59 3.051 -1.141 3.474 1.00 70.04 H new ATOM 884 N LEU A 60 6.448 -0.807 1.458 1.00 1.02 N ATOM 885 CA LEU A 60 7.625 -0.041 1.681 1.00 71.23 C ATOM 886 C LEU A 60 7.373 1.411 1.306 1.00 14.54 C ATOM 887 O LEU A 60 7.130 1.740 0.148 1.00 14.35 O ATOM 888 CB LEU A 60 8.793 -0.690 0.903 1.00 52.24 C ATOM 889 CG LEU A 60 10.212 -0.118 1.077 1.00 25.45 C ATOM 890 CD1 LEU A 60 11.213 -1.155 0.630 1.00 53.52 C ATOM 891 CD2 LEU A 60 10.409 1.135 0.238 1.00 2.54 C ATOM 0 H LEU A 60 6.370 -1.192 0.517 1.00 1.02 H new ATOM 0 HA LEU A 60 7.902 -0.037 2.735 1.00 71.23 H new ATOM 0 HB2 LEU A 60 8.827 -1.744 1.178 1.00 52.24 H new ATOM 0 HB3 LEU A 60 8.547 -0.645 -0.158 1.00 52.24 H new ATOM 0 HG LEU A 60 10.353 0.139 2.127 1.00 25.45 H new ATOM 0 HD11 LEU A 60 12.222 -0.761 0.749 1.00 53.52 H new ATOM 0 HD12 LEU A 60 11.101 -2.054 1.236 1.00 53.52 H new ATOM 0 HD13 LEU A 60 11.040 -1.400 -0.418 1.00 53.52 H new ATOM 0 HD21 LEU A 60 11.420 1.515 0.383 1.00 2.54 H new ATOM 0 HD22 LEU A 60 10.259 0.895 -0.815 1.00 2.54 H new ATOM 0 HD23 LEU A 60 9.689 1.894 0.544 1.00 2.54 H new ATOM 903 N LEU A 61 7.410 2.245 2.294 1.00 74.23 N ATOM 904 CA LEU A 61 7.204 3.659 2.160 1.00 51.23 C ATOM 905 C LEU A 61 8.576 4.292 2.001 1.00 64.14 C ATOM 906 O LEU A 61 9.454 4.093 2.840 1.00 11.41 O ATOM 907 CB LEU A 61 6.467 4.149 3.452 1.00 13.12 C ATOM 908 CG LEU A 61 6.037 5.636 3.614 1.00 74.44 C ATOM 909 CD1 LEU A 61 7.209 6.606 3.728 1.00 73.23 C ATOM 910 CD2 LEU A 61 5.095 6.037 2.505 1.00 53.33 C ATOM 0 H LEU A 61 7.591 1.954 3.255 1.00 74.23 H new ATOM 0 HA LEU A 61 6.594 3.930 1.298 1.00 51.23 H new ATOM 0 HB2 LEU A 61 5.567 3.543 3.555 1.00 13.12 H new ATOM 0 HB3 LEU A 61 7.111 3.909 4.298 1.00 13.12 H new ATOM 0 HG LEU A 61 5.513 5.703 4.567 1.00 74.44 H new ATOM 0 HD11 LEU A 61 6.831 7.622 3.838 1.00 73.23 H new ATOM 0 HD12 LEU A 61 7.812 6.347 4.598 1.00 73.23 H new ATOM 0 HD13 LEU A 61 7.822 6.543 2.829 1.00 73.23 H new ATOM 0 HD21 LEU A 61 4.804 7.080 2.634 1.00 53.33 H new ATOM 0 HD22 LEU A 61 5.593 5.915 1.543 1.00 53.33 H new ATOM 0 HD23 LEU A 61 4.207 5.406 2.536 1.00 53.33 H new ATOM 922 N ALA A 62 8.783 4.999 0.931 1.00 40.34 N ATOM 923 CA ALA A 62 10.047 5.636 0.708 1.00 72.04 C ATOM 924 C ALA A 62 9.852 7.005 0.130 1.00 61.32 C ATOM 925 O ALA A 62 9.185 7.167 -0.888 1.00 72.22 O ATOM 926 CB ALA A 62 10.919 4.796 -0.215 1.00 53.20 C ATOM 0 H ALA A 62 8.091 5.150 0.197 1.00 40.34 H new ATOM 0 HA ALA A 62 10.552 5.731 1.669 1.00 72.04 H new ATOM 0 HB1 ALA A 62 11.874 5.299 -0.371 1.00 53.20 H new ATOM 0 HB2 ALA A 62 11.092 3.820 0.237 1.00 53.20 H new ATOM 0 HB3 ALA A 62 10.416 4.668 -1.174 1.00 53.20 H new ATOM 932 N ASP A 63 10.400 7.988 0.779 1.00 44.42 N ATOM 933 CA ASP A 63 10.366 9.327 0.252 1.00 41.31 C ATOM 934 C ASP A 63 11.303 9.403 -0.905 1.00 34.01 C ATOM 935 O ASP A 63 12.354 8.734 -0.919 1.00 2.23 O ATOM 936 CB ASP A 63 10.719 10.388 1.300 1.00 53.25 C ATOM 937 CG ASP A 63 9.628 10.650 2.234 1.00 42.34 C ATOM 938 OD1 ASP A 63 8.664 11.292 1.820 1.00 12.41 O ATOM 939 OD2 ASP A 63 9.748 10.288 3.414 1.00 61.30 O ATOM 0 H ASP A 63 10.877 7.892 1.675 1.00 44.42 H new ATOM 0 HA ASP A 63 9.346 9.543 -0.065 1.00 41.31 H new ATOM 0 HB2 ASP A 63 11.597 10.062 1.857 1.00 53.25 H new ATOM 0 HB3 ASP A 63 10.988 11.315 0.794 1.00 53.25 H new ATOM 944 N LEU A 64 10.946 10.149 -1.884 1.00 53.35 N ATOM 945 CA LEU A 64 11.755 10.260 -3.038 1.00 33.33 C ATOM 946 C LEU A 64 12.102 11.710 -3.220 1.00 4.23 C ATOM 947 O LEU A 64 11.559 12.397 -4.068 1.00 43.43 O ATOM 948 CB LEU A 64 10.997 9.666 -4.247 1.00 33.14 C ATOM 949 CG LEU A 64 11.660 9.735 -5.625 1.00 54.23 C ATOM 950 CD1 LEU A 64 13.043 9.097 -5.607 1.00 72.23 C ATOM 951 CD2 LEU A 64 10.781 9.030 -6.637 1.00 14.24 C ATOM 0 H LEU A 64 10.087 10.698 -1.908 1.00 53.35 H new ATOM 0 HA LEU A 64 12.684 9.699 -2.941 1.00 33.33 H new ATOM 0 HB2 LEU A 64 10.792 8.618 -4.029 1.00 33.14 H new ATOM 0 HB3 LEU A 64 10.034 10.171 -4.316 1.00 33.14 H new ATOM 0 HG LEU A 64 11.779 10.783 -5.900 1.00 54.23 H new ATOM 0 HD11 LEU A 64 13.487 9.162 -6.600 1.00 72.23 H new ATOM 0 HD12 LEU A 64 13.676 9.621 -4.891 1.00 72.23 H new ATOM 0 HD13 LEU A 64 12.957 8.050 -5.316 1.00 72.23 H new ATOM 0 HD21 LEU A 64 11.249 9.076 -7.620 1.00 14.24 H new ATOM 0 HD22 LEU A 64 10.653 7.988 -6.345 1.00 14.24 H new ATOM 0 HD23 LEU A 64 9.807 9.518 -6.675 1.00 14.24 H new ATOM 963 N ASN A 65 13.020 12.136 -2.386 1.00 33.22 N ATOM 964 CA ASN A 65 13.543 13.490 -2.295 1.00 41.13 C ATOM 965 C ASN A 65 14.284 13.533 -0.983 1.00 72.34 C ATOM 966 O ASN A 65 13.975 12.746 -0.094 1.00 31.21 O ATOM 967 CB ASN A 65 12.417 14.551 -2.290 1.00 73.32 C ATOM 968 CG ASN A 65 12.951 15.965 -2.355 1.00 33.43 C ATOM 969 OD1 ASN A 65 13.185 16.590 -1.336 1.00 53.12 O ATOM 970 ND2 ASN A 65 13.160 16.469 -3.543 1.00 14.34 N ATOM 0 H ASN A 65 13.453 11.511 -1.707 1.00 33.22 H new ATOM 0 HA ASN A 65 14.174 13.719 -3.154 1.00 41.13 H new ATOM 0 HB2 ASN A 65 11.755 14.377 -3.138 1.00 73.32 H new ATOM 0 HB3 ASN A 65 11.817 14.434 -1.388 1.00 73.32 H new ATOM 0 HD21 ASN A 65 13.531 17.415 -3.638 1.00 14.34 H new ATOM 0 HD22 ASN A 65 12.953 15.917 -4.375 1.00 14.34 H new ATOM 977 N SER A 66 15.256 14.382 -0.847 1.00 1.34 N ATOM 978 CA SER A 66 16.018 14.405 0.369 1.00 74.01 C ATOM 979 C SER A 66 15.530 15.489 1.346 1.00 52.12 C ATOM 980 O SER A 66 15.551 15.285 2.563 1.00 13.25 O ATOM 981 CB SER A 66 17.499 14.565 0.049 1.00 42.41 C ATOM 982 OG SER A 66 17.936 13.546 -0.861 1.00 63.23 O ATOM 0 H SER A 66 15.540 15.062 -1.552 1.00 1.34 H new ATOM 0 HA SER A 66 15.869 13.452 0.876 1.00 74.01 H new ATOM 0 HB2 SER A 66 17.678 15.548 -0.386 1.00 42.41 H new ATOM 0 HB3 SER A 66 18.082 14.512 0.968 1.00 42.41 H new ATOM 0 HG SER A 66 18.889 13.667 -1.055 1.00 63.23 H new ATOM 988 N THR A 67 15.060 16.613 0.829 1.00 11.20 N ATOM 989 CA THR A 67 14.645 17.710 1.688 1.00 0.41 C ATOM 990 C THR A 67 13.154 17.584 2.082 1.00 61.10 C ATOM 991 O THR A 67 12.752 17.994 3.170 1.00 10.35 O ATOM 992 CB THR A 67 14.958 19.110 1.040 1.00 65.34 C ATOM 993 OG1 THR A 67 14.748 20.177 1.981 1.00 22.52 O ATOM 994 CG2 THR A 67 14.095 19.374 -0.182 1.00 13.42 C ATOM 0 H THR A 67 14.957 16.789 -0.170 1.00 11.20 H new ATOM 0 HA THR A 67 15.232 17.645 2.604 1.00 0.41 H new ATOM 0 HB THR A 67 16.005 19.080 0.740 1.00 65.34 H new ATOM 0 HG1 THR A 67 14.951 21.035 1.553 1.00 22.52 H new ATOM 0 HG21 THR A 67 14.343 20.350 -0.598 1.00 13.42 H new ATOM 0 HG22 THR A 67 14.278 18.603 -0.930 1.00 13.42 H new ATOM 0 HG23 THR A 67 13.044 19.358 0.105 1.00 13.42 H new ATOM 1002 N ASN A 68 12.367 16.974 1.225 1.00 3.53 N ATOM 1003 CA ASN A 68 10.932 16.797 1.460 1.00 53.32 C ATOM 1004 C ASN A 68 10.637 15.517 2.219 1.00 71.22 C ATOM 1005 O ASN A 68 9.539 14.987 2.113 1.00 63.11 O ATOM 1006 CB ASN A 68 10.123 16.823 0.140 1.00 23.13 C ATOM 1007 CG ASN A 68 9.914 18.220 -0.443 1.00 14.12 C ATOM 1008 OD1 ASN A 68 10.739 19.120 -0.286 1.00 54.45 O ATOM 1009 ND2 ASN A 68 8.802 18.411 -1.121 1.00 0.54 N ATOM 0 H ASN A 68 12.694 16.582 0.342 1.00 3.53 H new ATOM 0 HA ASN A 68 10.618 17.642 2.073 1.00 53.32 H new ATOM 0 HB2 ASN A 68 10.636 16.207 -0.599 1.00 23.13 H new ATOM 0 HB3 ASN A 68 9.149 16.366 0.316 1.00 23.13 H new ATOM 0 HD21 ASN A 68 8.606 19.323 -1.532 1.00 0.54 H new ATOM 0 HD22 ASN A 68 8.136 17.647 -1.235 1.00 0.54 H new ATOM 1016 N GLY A 69 11.606 15.069 3.021 1.00 32.34 N ATOM 1017 CA GLY A 69 11.468 13.847 3.808 1.00 32.31 C ATOM 1018 C GLY A 69 10.242 13.883 4.705 1.00 35.52 C ATOM 1019 O GLY A 69 10.032 14.848 5.466 1.00 43.43 O ATOM 0 H GLY A 69 12.502 15.542 3.141 1.00 32.34 H new ATOM 0 HA2 GLY A 69 11.402 12.990 3.138 1.00 32.31 H new ATOM 0 HA3 GLY A 69 12.360 13.706 4.419 1.00 32.31 H new ATOM 1023 N THR A 70 9.473 12.860 4.628 1.00 65.23 N ATOM 1024 CA THR A 70 8.208 12.744 5.270 1.00 74.35 C ATOM 1025 C THR A 70 8.311 12.202 6.730 1.00 70.02 C ATOM 1026 O THR A 70 9.326 11.604 7.136 1.00 53.51 O ATOM 1027 CB THR A 70 7.329 11.868 4.329 1.00 62.23 C ATOM 1028 OG1 THR A 70 6.967 12.641 3.164 1.00 21.10 O ATOM 1029 CG2 THR A 70 6.104 11.260 4.962 1.00 21.13 C ATOM 0 H THR A 70 9.720 12.032 4.086 1.00 65.23 H new ATOM 0 HA THR A 70 7.747 13.722 5.411 1.00 74.35 H new ATOM 0 HB THR A 70 7.946 11.010 4.060 1.00 62.23 H new ATOM 0 HG1 THR A 70 7.618 12.480 2.449 1.00 21.10 H new ATOM 0 HG21 THR A 70 5.565 10.671 4.220 1.00 21.13 H new ATOM 0 HG22 THR A 70 6.403 10.616 5.789 1.00 21.13 H new ATOM 0 HG23 THR A 70 5.456 12.053 5.336 1.00 21.13 H new ATOM 1037 N THR A 71 7.292 12.486 7.535 1.00 72.14 N ATOM 1038 CA THR A 71 7.238 12.025 8.884 1.00 32.33 C ATOM 1039 C THR A 71 6.300 10.855 9.010 1.00 74.52 C ATOM 1040 O THR A 71 5.238 10.822 8.391 1.00 70.02 O ATOM 1041 CB THR A 71 6.769 13.131 9.835 1.00 71.41 C ATOM 1042 OG1 THR A 71 5.688 13.865 9.247 1.00 65.45 O ATOM 1043 CG2 THR A 71 7.895 14.054 10.205 1.00 12.04 C ATOM 0 H THR A 71 6.487 13.045 7.252 1.00 72.14 H new ATOM 0 HA THR A 71 8.249 11.722 9.157 1.00 32.33 H new ATOM 0 HB THR A 71 6.417 12.658 10.752 1.00 71.41 H new ATOM 0 HG1 THR A 71 5.396 14.568 9.864 1.00 65.45 H new ATOM 0 HG21 THR A 71 7.526 14.826 10.880 1.00 12.04 H new ATOM 0 HG22 THR A 71 8.683 13.486 10.699 1.00 12.04 H new ATOM 0 HG23 THR A 71 8.294 14.521 9.304 1.00 12.04 H new ATOM 1051 N VAL A 72 6.689 9.911 9.806 1.00 44.25 N ATOM 1052 CA VAL A 72 5.899 8.753 10.090 1.00 60.31 C ATOM 1053 C VAL A 72 5.805 8.617 11.607 1.00 34.43 C ATOM 1054 O VAL A 72 6.821 8.585 12.299 1.00 73.31 O ATOM 1055 CB VAL A 72 6.513 7.471 9.447 1.00 0.31 C ATOM 1056 CG1 VAL A 72 6.518 7.578 7.924 1.00 71.30 C ATOM 1057 CG2 VAL A 72 7.931 7.253 9.936 1.00 23.35 C ATOM 0 H VAL A 72 7.587 9.923 10.289 1.00 44.25 H new ATOM 0 HA VAL A 72 4.904 8.867 9.659 1.00 60.31 H new ATOM 0 HB VAL A 72 5.895 6.624 9.745 1.00 0.31 H new ATOM 0 HG11 VAL A 72 6.950 6.673 7.497 1.00 71.30 H new ATOM 0 HG12 VAL A 72 5.496 7.696 7.564 1.00 71.30 H new ATOM 0 HG13 VAL A 72 7.111 8.441 7.622 1.00 71.30 H new ATOM 0 HG21 VAL A 72 8.341 6.354 9.475 1.00 23.35 H new ATOM 0 HG22 VAL A 72 8.545 8.112 9.665 1.00 23.35 H new ATOM 0 HG23 VAL A 72 7.928 7.136 11.020 1.00 23.35 H new ATOM 1067 N ASN A 73 4.600 8.644 12.123 1.00 33.32 N ATOM 1068 CA ASN A 73 4.330 8.602 13.569 1.00 12.44 C ATOM 1069 C ASN A 73 5.001 9.787 14.258 1.00 73.31 C ATOM 1070 O ASN A 73 5.441 9.696 15.409 1.00 72.10 O ATOM 1071 CB ASN A 73 4.756 7.256 14.207 1.00 63.14 C ATOM 1072 CG ASN A 73 3.970 6.079 13.663 1.00 74.53 C ATOM 1073 OD1 ASN A 73 2.887 5.765 14.148 1.00 42.11 O ATOM 1074 ND2 ASN A 73 4.512 5.410 12.675 1.00 61.03 N ATOM 0 H ASN A 73 3.755 8.697 11.554 1.00 33.32 H new ATOM 0 HA ASN A 73 3.252 8.679 13.712 1.00 12.44 H new ATOM 0 HB2 ASN A 73 5.819 7.093 14.027 1.00 63.14 H new ATOM 0 HB3 ASN A 73 4.620 7.311 15.287 1.00 63.14 H new ATOM 0 HD21 ASN A 73 4.032 4.599 12.284 1.00 61.03 H new ATOM 0 HD22 ASN A 73 5.414 5.700 12.297 1.00 61.03 H new ATOM 1081 N ASN A 74 5.080 10.906 13.503 1.00 65.31 N ATOM 1082 CA ASN A 74 5.662 12.185 13.946 1.00 24.12 C ATOM 1083 C ASN A 74 7.213 12.112 13.966 1.00 11.40 C ATOM 1084 O ASN A 74 7.900 13.017 14.438 1.00 31.14 O ATOM 1085 CB ASN A 74 5.053 12.643 15.309 1.00 61.34 C ATOM 1086 CG ASN A 74 5.488 14.028 15.780 1.00 71.11 C ATOM 1087 OD1 ASN A 74 5.800 14.915 14.987 1.00 0.03 O ATOM 1088 ND2 ASN A 74 5.497 14.222 17.070 1.00 63.22 N ATOM 0 H ASN A 74 4.731 10.941 12.545 1.00 65.31 H new ATOM 0 HA ASN A 74 5.397 12.955 13.221 1.00 24.12 H new ATOM 0 HB2 ASN A 74 3.966 12.629 15.227 1.00 61.34 H new ATOM 0 HB3 ASN A 74 5.324 11.915 16.073 1.00 61.34 H new ATOM 0 HD21 ASN A 74 5.768 15.130 17.447 1.00 63.22 H new ATOM 0 HD22 ASN A 74 5.233 13.466 17.701 1.00 63.22 H new ATOM 1095 N ALA A 75 7.754 11.039 13.423 1.00 24.11 N ATOM 1096 CA ALA A 75 9.191 10.871 13.329 1.00 60.43 C ATOM 1097 C ALA A 75 9.638 11.114 11.894 1.00 41.44 C ATOM 1098 O ALA A 75 9.122 10.482 10.974 1.00 34.12 O ATOM 1099 CB ALA A 75 9.591 9.472 13.772 1.00 34.32 C ATOM 0 H ALA A 75 7.214 10.264 13.037 1.00 24.11 H new ATOM 0 HA ALA A 75 9.678 11.592 13.986 1.00 60.43 H new ATOM 0 HB1 ALA A 75 10.673 9.362 13.696 1.00 34.32 H new ATOM 0 HB2 ALA A 75 9.282 9.315 14.806 1.00 34.32 H new ATOM 0 HB3 ALA A 75 9.105 8.735 13.133 1.00 34.32 H new ATOM 1105 N PRO A 76 10.553 12.058 11.670 1.00 14.13 N ATOM 1106 CA PRO A 76 11.069 12.350 10.328 1.00 62.12 C ATOM 1107 C PRO A 76 11.979 11.236 9.812 1.00 3.00 C ATOM 1108 O PRO A 76 12.943 10.834 10.481 1.00 32.23 O ATOM 1109 CB PRO A 76 11.858 13.647 10.524 1.00 2.20 C ATOM 1110 CG PRO A 76 12.254 13.641 11.958 1.00 3.10 C ATOM 1111 CD PRO A 76 11.154 12.937 12.697 1.00 31.00 C ATOM 0 HA PRO A 76 10.273 12.435 9.588 1.00 62.12 H new ATOM 0 HB2 PRO A 76 12.732 13.680 9.873 1.00 2.20 H new ATOM 0 HB3 PRO A 76 11.250 14.519 10.286 1.00 2.20 H new ATOM 0 HG2 PRO A 76 13.206 13.128 12.096 1.00 3.10 H new ATOM 0 HG3 PRO A 76 12.383 14.657 12.330 1.00 3.10 H new ATOM 0 HD2 PRO A 76 11.540 12.363 13.540 1.00 31.00 H new ATOM 0 HD3 PRO A 76 10.425 13.642 13.098 1.00 31.00 H new ATOM 1119 N VAL A 77 11.657 10.721 8.650 1.00 1.24 N ATOM 1120 CA VAL A 77 12.423 9.662 8.020 1.00 31.41 C ATOM 1121 C VAL A 77 12.479 9.926 6.530 1.00 42.21 C ATOM 1122 O VAL A 77 12.030 10.977 6.070 1.00 42.10 O ATOM 1123 CB VAL A 77 11.778 8.249 8.238 1.00 12.10 C ATOM 1124 CG1 VAL A 77 11.757 7.844 9.708 1.00 53.33 C ATOM 1125 CG2 VAL A 77 10.371 8.204 7.649 1.00 13.44 C ATOM 0 H VAL A 77 10.849 11.025 8.107 1.00 1.24 H new ATOM 0 HA VAL A 77 13.415 9.658 8.472 1.00 31.41 H new ATOM 0 HB VAL A 77 12.404 7.526 7.714 1.00 12.10 H new ATOM 0 HG11 VAL A 77 11.301 6.859 9.808 1.00 53.33 H new ATOM 0 HG12 VAL A 77 12.777 7.812 10.091 1.00 53.33 H new ATOM 0 HG13 VAL A 77 11.178 8.571 10.277 1.00 53.33 H new ATOM 0 HG21 VAL A 77 9.940 7.216 7.810 1.00 13.44 H new ATOM 0 HG22 VAL A 77 9.749 8.955 8.136 1.00 13.44 H new ATOM 0 HG23 VAL A 77 10.418 8.409 6.580 1.00 13.44 H new ATOM 1135 N GLN A 78 13.089 9.022 5.805 1.00 43.40 N ATOM 1136 CA GLN A 78 13.060 9.063 4.375 1.00 35.41 C ATOM 1137 C GLN A 78 12.571 7.716 3.837 1.00 53.12 C ATOM 1138 O GLN A 78 12.461 7.512 2.626 1.00 22.44 O ATOM 1139 CB GLN A 78 14.450 9.390 3.805 1.00 71.42 C ATOM 1140 CG GLN A 78 15.536 8.323 4.031 1.00 54.00 C ATOM 1141 CD GLN A 78 15.975 8.130 5.473 1.00 44.35 C ATOM 1142 OE1 GLN A 78 15.955 9.055 6.284 1.00 74.11 O ATOM 1143 NE2 GLN A 78 16.367 6.933 5.802 1.00 53.44 N ATOM 0 H GLN A 78 13.617 8.241 6.194 1.00 43.40 H new ATOM 0 HA GLN A 78 12.375 9.851 4.061 1.00 35.41 H new ATOM 0 HB2 GLN A 78 14.351 9.559 2.733 1.00 71.42 H new ATOM 0 HB3 GLN A 78 14.791 10.327 4.245 1.00 71.42 H new ATOM 0 HG2 GLN A 78 15.169 7.370 3.651 1.00 54.00 H new ATOM 0 HG3 GLN A 78 16.410 8.588 3.436 1.00 54.00 H new ATOM 0 HE21 GLN A 78 16.371 6.188 5.105 1.00 53.44 H new ATOM 0 HE22 GLN A 78 16.670 6.740 6.757 1.00 53.44 H new ATOM 1152 N GLU A 79 12.289 6.793 4.752 1.00 32.33 N ATOM 1153 CA GLU A 79 11.861 5.449 4.414 1.00 23.43 C ATOM 1154 C GLU A 79 11.284 4.798 5.663 1.00 44.43 C ATOM 1155 O GLU A 79 11.729 5.106 6.785 1.00 31.13 O ATOM 1156 CB GLU A 79 13.043 4.641 3.856 1.00 14.34 C ATOM 1157 CG GLU A 79 14.177 4.434 4.843 1.00 5.34 C ATOM 1158 CD GLU A 79 15.434 3.978 4.179 1.00 12.32 C ATOM 1159 OE1 GLU A 79 15.475 2.868 3.640 1.00 23.55 O ATOM 1160 OE2 GLU A 79 16.405 4.756 4.154 1.00 32.33 O ATOM 0 H GLU A 79 12.353 6.963 5.756 1.00 32.33 H new ATOM 0 HA GLU A 79 11.094 5.479 3.641 1.00 23.43 H new ATOM 0 HB2 GLU A 79 12.680 3.667 3.528 1.00 14.34 H new ATOM 0 HB3 GLU A 79 13.432 5.150 2.974 1.00 14.34 H new ATOM 0 HG2 GLU A 79 14.368 5.367 5.374 1.00 5.34 H new ATOM 0 HG3 GLU A 79 13.876 3.698 5.589 1.00 5.34 H new ATOM 1167 N TRP A 80 10.303 3.947 5.478 1.00 2.42 N ATOM 1168 CA TRP A 80 9.590 3.303 6.562 1.00 24.34 C ATOM 1169 C TRP A 80 8.766 2.166 5.988 1.00 15.42 C ATOM 1170 O TRP A 80 8.416 2.192 4.824 1.00 73.24 O ATOM 1171 CB TRP A 80 8.687 4.369 7.234 1.00 45.42 C ATOM 1172 CG TRP A 80 7.768 3.929 8.343 1.00 75.32 C ATOM 1173 CD1 TRP A 80 6.457 3.585 8.222 1.00 23.41 C ATOM 1174 CD2 TRP A 80 8.070 3.859 9.743 1.00 72.03 C ATOM 1175 NE1 TRP A 80 5.933 3.279 9.444 1.00 20.02 N ATOM 1176 CE2 TRP A 80 6.898 3.441 10.397 1.00 11.00 C ATOM 1177 CE3 TRP A 80 9.216 4.097 10.506 1.00 12.44 C ATOM 1178 CZ2 TRP A 80 6.839 3.267 11.772 1.00 42.51 C ATOM 1179 CZ3 TRP A 80 9.152 3.925 11.870 1.00 42.32 C ATOM 1180 CH2 TRP A 80 7.972 3.513 12.490 1.00 42.32 C ATOM 0 H TRP A 80 9.970 3.676 4.553 1.00 2.42 H new ATOM 0 HA TRP A 80 10.271 2.892 7.307 1.00 24.34 H new ATOM 0 HB2 TRP A 80 9.334 5.152 7.629 1.00 45.42 H new ATOM 0 HB3 TRP A 80 8.075 4.825 6.456 1.00 45.42 H new ATOM 0 HD1 TRP A 80 5.909 3.558 7.291 1.00 23.41 H new ATOM 0 HE1 TRP A 80 4.974 2.978 9.618 1.00 20.02 H new ATOM 0 HE3 TRP A 80 10.135 4.410 10.034 1.00 12.44 H new ATOM 0 HZ2 TRP A 80 5.928 2.948 12.257 1.00 42.51 H new ATOM 0 HZ3 TRP A 80 10.030 4.112 12.471 1.00 42.32 H new ATOM 0 HH2 TRP A 80 7.955 3.386 13.562 1.00 42.32 H new ATOM 1191 N GLN A 81 8.513 1.158 6.753 1.00 13.31 N ATOM 1192 CA GLN A 81 7.616 0.124 6.295 1.00 0.35 C ATOM 1193 C GLN A 81 6.281 0.261 7.000 1.00 22.12 C ATOM 1194 O GLN A 81 6.205 0.221 8.238 1.00 31.15 O ATOM 1195 CB GLN A 81 8.211 -1.299 6.363 1.00 31.45 C ATOM 1196 CG GLN A 81 8.673 -1.769 7.726 1.00 71.23 C ATOM 1197 CD GLN A 81 9.198 -3.191 7.684 1.00 61.24 C ATOM 1198 OE1 GLN A 81 10.392 -3.434 7.464 1.00 54.52 O ATOM 1199 NE2 GLN A 81 8.326 -4.141 7.871 1.00 34.22 N ATOM 0 H GLN A 81 8.902 1.018 7.686 1.00 13.31 H new ATOM 0 HA GLN A 81 7.453 0.273 5.228 1.00 0.35 H new ATOM 0 HB2 GLN A 81 7.462 -2.001 5.995 1.00 31.45 H new ATOM 0 HB3 GLN A 81 9.058 -1.349 5.679 1.00 31.45 H new ATOM 0 HG2 GLN A 81 9.454 -1.104 8.094 1.00 71.23 H new ATOM 0 HG3 GLN A 81 7.844 -1.708 8.431 1.00 71.23 H new ATOM 0 HE21 GLN A 81 7.349 -3.909 8.050 1.00 34.22 H new ATOM 0 HE22 GLN A 81 8.620 -5.117 7.838 1.00 34.22 H new ATOM 1208 N LEU A 82 5.260 0.490 6.202 1.00 40.43 N ATOM 1209 CA LEU A 82 3.899 0.789 6.662 1.00 34.33 C ATOM 1210 C LEU A 82 3.268 -0.332 7.479 1.00 25.13 C ATOM 1211 O LEU A 82 3.574 -1.515 7.294 1.00 50.33 O ATOM 1212 CB LEU A 82 2.991 1.039 5.459 1.00 11.34 C ATOM 1213 CG LEU A 82 3.411 2.145 4.505 1.00 42.12 C ATOM 1214 CD1 LEU A 82 2.413 2.296 3.370 1.00 73.30 C ATOM 1215 CD2 LEU A 82 3.554 3.433 5.251 1.00 62.11 C ATOM 0 H LEU A 82 5.345 0.475 5.186 1.00 40.43 H new ATOM 0 HA LEU A 82 3.991 1.667 7.301 1.00 34.33 H new ATOM 0 HB2 LEU A 82 2.914 0.111 4.892 1.00 11.34 H new ATOM 0 HB3 LEU A 82 1.992 1.270 5.829 1.00 11.34 H new ATOM 0 HG LEU A 82 4.374 1.877 4.069 1.00 42.12 H new ATOM 0 HD11 LEU A 82 2.739 3.094 2.703 1.00 73.30 H new ATOM 0 HD12 LEU A 82 2.351 1.361 2.813 1.00 73.30 H new ATOM 0 HD13 LEU A 82 1.432 2.541 3.778 1.00 73.30 H new ATOM 0 HD21 LEU A 82 3.855 4.221 4.561 1.00 62.11 H new ATOM 0 HD22 LEU A 82 2.600 3.696 5.709 1.00 62.11 H new ATOM 0 HD23 LEU A 82 4.311 3.322 6.028 1.00 62.11 H new ATOM 1227 N ALA A 83 2.404 0.062 8.376 1.00 12.32 N ATOM 1228 CA ALA A 83 1.571 -0.825 9.141 1.00 41.10 C ATOM 1229 C ALA A 83 0.226 -0.147 9.353 1.00 73.21 C ATOM 1230 O ALA A 83 0.043 1.014 8.962 1.00 1.32 O ATOM 1231 CB ALA A 83 2.215 -1.174 10.475 1.00 30.15 C ATOM 0 H ALA A 83 2.256 1.046 8.602 1.00 12.32 H new ATOM 0 HA ALA A 83 1.438 -1.761 8.598 1.00 41.10 H new ATOM 0 HB1 ALA A 83 1.561 -1.846 11.030 1.00 30.15 H new ATOM 0 HB2 ALA A 83 3.173 -1.663 10.300 1.00 30.15 H new ATOM 0 HB3 ALA A 83 2.373 -0.263 11.052 1.00 30.15 H new ATOM 1237 N ASP A 84 -0.712 -0.855 9.947 1.00 51.14 N ATOM 1238 CA ASP A 84 -2.037 -0.298 10.205 1.00 52.11 C ATOM 1239 C ASP A 84 -1.970 0.648 11.377 1.00 21.12 C ATOM 1240 O ASP A 84 -1.705 0.225 12.513 1.00 72.45 O ATOM 1241 CB ASP A 84 -3.062 -1.405 10.491 1.00 3.21 C ATOM 1242 CG ASP A 84 -4.463 -0.867 10.777 1.00 73.31 C ATOM 1243 OD1 ASP A 84 -5.194 -0.553 9.821 1.00 34.22 O ATOM 1244 OD2 ASP A 84 -4.868 -0.786 11.956 1.00 52.43 O ATOM 0 H ASP A 84 -0.588 -1.817 10.263 1.00 51.14 H new ATOM 0 HA ASP A 84 -2.359 0.240 9.313 1.00 52.11 H new ATOM 0 HB2 ASP A 84 -3.106 -2.080 9.636 1.00 3.21 H new ATOM 0 HB3 ASP A 84 -2.724 -1.993 11.344 1.00 3.21 H new ATOM 1249 N GLY A 85 -2.165 1.905 11.112 1.00 71.21 N ATOM 1250 CA GLY A 85 -2.157 2.881 12.158 1.00 15.45 C ATOM 1251 C GLY A 85 -0.968 3.807 12.096 1.00 42.54 C ATOM 1252 O GLY A 85 -0.663 4.482 13.080 1.00 21.35 O ATOM 0 H GLY A 85 -2.332 2.279 10.178 1.00 71.21 H new ATOM 0 HA2 GLY A 85 -3.072 3.471 12.103 1.00 15.45 H new ATOM 0 HA3 GLY A 85 -2.163 2.372 13.122 1.00 15.45 H new ATOM 1256 N ASP A 86 -0.263 3.830 10.974 1.00 61.31 N ATOM 1257 CA ASP A 86 0.835 4.781 10.834 1.00 72.32 C ATOM 1258 C ASP A 86 0.314 6.145 10.477 1.00 61.15 C ATOM 1259 O ASP A 86 -0.389 6.311 9.462 1.00 52.32 O ATOM 1260 CB ASP A 86 1.900 4.363 9.807 1.00 62.10 C ATOM 1261 CG ASP A 86 2.829 3.275 10.287 1.00 22.31 C ATOM 1262 OD1 ASP A 86 3.327 3.360 11.414 1.00 22.34 O ATOM 1263 OD2 ASP A 86 3.142 2.364 9.519 1.00 60.23 O ATOM 0 H ASP A 86 -0.422 3.223 10.170 1.00 61.31 H new ATOM 0 HA ASP A 86 1.324 4.800 11.808 1.00 72.32 H new ATOM 0 HB2 ASP A 86 1.400 4.024 8.899 1.00 62.10 H new ATOM 0 HB3 ASP A 86 2.492 5.238 9.537 1.00 62.10 H new ATOM 1268 N VAL A 87 0.621 7.112 11.315 1.00 20.51 N ATOM 1269 CA VAL A 87 0.261 8.490 11.048 1.00 34.32 C ATOM 1270 C VAL A 87 1.390 9.087 10.264 1.00 62.30 C ATOM 1271 O VAL A 87 2.479 9.238 10.771 1.00 13.34 O ATOM 1272 CB VAL A 87 0.058 9.318 12.353 1.00 60.30 C ATOM 1273 CG1 VAL A 87 -0.446 10.726 12.034 1.00 30.15 C ATOM 1274 CG2 VAL A 87 -0.892 8.606 13.309 1.00 54.41 C ATOM 0 H VAL A 87 1.122 6.969 12.192 1.00 20.51 H new ATOM 0 HA VAL A 87 -0.685 8.513 10.507 1.00 34.32 H new ATOM 0 HB VAL A 87 1.026 9.409 12.846 1.00 60.30 H new ATOM 0 HG11 VAL A 87 -0.580 11.283 12.961 1.00 30.15 H new ATOM 0 HG12 VAL A 87 0.281 11.239 11.404 1.00 30.15 H new ATOM 0 HG13 VAL A 87 -1.399 10.661 11.509 1.00 30.15 H new ATOM 0 HG21 VAL A 87 -1.016 9.205 14.211 1.00 54.41 H new ATOM 0 HG22 VAL A 87 -1.860 8.471 12.827 1.00 54.41 H new ATOM 0 HG23 VAL A 87 -0.480 7.632 13.574 1.00 54.41 H new ATOM 1284 N ILE A 88 1.155 9.407 9.051 1.00 1.32 N ATOM 1285 CA ILE A 88 2.204 9.875 8.203 1.00 13.42 C ATOM 1286 C ILE A 88 1.870 11.262 7.712 1.00 42.11 C ATOM 1287 O ILE A 88 0.721 11.554 7.436 1.00 40.25 O ATOM 1288 CB ILE A 88 2.390 8.888 7.021 1.00 24.44 C ATOM 1289 CG1 ILE A 88 2.759 7.498 7.567 1.00 45.35 C ATOM 1290 CG2 ILE A 88 3.420 9.384 6.017 1.00 54.10 C ATOM 1291 CD1 ILE A 88 2.995 6.458 6.511 1.00 63.23 C ATOM 0 H ILE A 88 0.237 9.356 8.609 1.00 1.32 H new ATOM 0 HA ILE A 88 3.142 9.925 8.756 1.00 13.42 H new ATOM 0 HB ILE A 88 1.446 8.818 6.480 1.00 24.44 H new ATOM 0 HG12 ILE A 88 3.657 7.588 8.178 1.00 45.35 H new ATOM 0 HG13 ILE A 88 1.960 7.156 8.224 1.00 45.35 H new ATOM 0 HG21 ILE A 88 3.517 8.661 5.207 1.00 54.10 H new ATOM 0 HG22 ILE A 88 3.099 10.343 5.610 1.00 54.10 H new ATOM 0 HG23 ILE A 88 4.383 9.504 6.513 1.00 54.10 H new ATOM 0 HD11 ILE A 88 3.250 5.510 6.985 1.00 63.23 H new ATOM 0 HD12 ILE A 88 2.092 6.334 5.914 1.00 63.23 H new ATOM 0 HD13 ILE A 88 3.816 6.773 5.867 1.00 63.23 H new ATOM 1303 N ARG A 89 2.841 12.128 7.647 1.00 31.35 N ATOM 1304 CA ARG A 89 2.574 13.450 7.181 1.00 71.53 C ATOM 1305 C ARG A 89 3.582 13.886 6.147 1.00 73.24 C ATOM 1306 O ARG A 89 4.797 13.878 6.383 1.00 25.31 O ATOM 1307 CB ARG A 89 2.468 14.461 8.334 1.00 70.43 C ATOM 1308 CG ARG A 89 2.044 15.850 7.877 1.00 1.52 C ATOM 1309 CD ARG A 89 1.770 16.775 9.047 1.00 72.12 C ATOM 1310 NE ARG A 89 1.238 18.067 8.590 1.00 20.45 N ATOM 1311 CZ ARG A 89 -0.033 18.478 8.776 1.00 22.24 C ATOM 1312 NH1 ARG A 89 -0.889 17.735 9.471 1.00 2.23 N ATOM 1313 NH2 ARG A 89 -0.430 19.642 8.295 1.00 22.35 N ATOM 0 H ARG A 89 3.810 11.943 7.908 1.00 31.35 H new ATOM 0 HA ARG A 89 1.598 13.425 6.696 1.00 71.53 H new ATOM 0 HB2 ARG A 89 1.751 14.092 9.067 1.00 70.43 H new ATOM 0 HB3 ARG A 89 3.432 14.530 8.838 1.00 70.43 H new ATOM 0 HG2 ARG A 89 2.826 16.280 7.251 1.00 1.52 H new ATOM 0 HG3 ARG A 89 1.149 15.771 7.260 1.00 1.52 H new ATOM 0 HD2 ARG A 89 1.058 16.306 9.726 1.00 72.12 H new ATOM 0 HD3 ARG A 89 2.689 16.936 9.610 1.00 72.12 H new ATOM 0 HE ARG A 89 1.874 18.696 8.099 1.00 20.45 H new ATOM 0 HH11 ARG A 89 -0.586 16.846 9.869 1.00 2.23 H new ATOM 0 HH12 ARG A 89 -1.848 18.054 9.606 1.00 2.23 H new ATOM 0 HH21 ARG A 89 0.225 20.232 7.782 1.00 22.35 H new ATOM 0 HH22 ARG A 89 -1.392 19.951 8.437 1.00 22.35 H new ATOM 1327 N LEU A 90 3.074 14.251 5.019 1.00 62.11 N ATOM 1328 CA LEU A 90 3.857 14.767 3.938 1.00 32.54 C ATOM 1329 C LEU A 90 3.557 16.241 3.849 1.00 53.45 C ATOM 1330 O LEU A 90 2.597 16.688 4.476 1.00 65.44 O ATOM 1331 CB LEU A 90 3.601 14.056 2.576 1.00 61.35 C ATOM 1332 CG LEU A 90 2.171 14.074 1.987 1.00 52.32 C ATOM 1333 CD1 LEU A 90 2.234 13.779 0.498 1.00 15.54 C ATOM 1334 CD2 LEU A 90 1.290 13.019 2.654 1.00 53.54 C ATOM 0 H LEU A 90 2.076 14.199 4.814 1.00 62.11 H new ATOM 0 HA LEU A 90 4.911 14.580 4.144 1.00 32.54 H new ATOM 0 HB2 LEU A 90 4.268 14.503 1.839 1.00 61.35 H new ATOM 0 HB3 LEU A 90 3.900 13.014 2.686 1.00 61.35 H new ATOM 0 HG LEU A 90 1.743 15.060 2.166 1.00 52.32 H new ATOM 0 HD11 LEU A 90 1.227 13.791 0.082 1.00 15.54 H new ATOM 0 HD12 LEU A 90 2.841 14.537 0.002 1.00 15.54 H new ATOM 0 HD13 LEU A 90 2.680 12.797 0.340 1.00 15.54 H new ATOM 0 HD21 LEU A 90 0.290 13.053 2.221 1.00 53.54 H new ATOM 0 HD22 LEU A 90 1.721 12.031 2.494 1.00 53.54 H new ATOM 0 HD23 LEU A 90 1.229 13.219 3.724 1.00 53.54 H new ATOM 1346 N GLY A 91 4.396 16.986 3.154 1.00 71.31 N ATOM 1347 CA GLY A 91 4.233 18.437 3.015 1.00 23.11 C ATOM 1348 C GLY A 91 2.789 18.892 2.776 1.00 72.02 C ATOM 1349 O GLY A 91 2.242 18.691 1.697 1.00 44.43 O ATOM 0 H GLY A 91 5.211 16.612 2.668 1.00 71.31 H new ATOM 0 HA2 GLY A 91 4.609 18.921 3.917 1.00 23.11 H new ATOM 0 HA3 GLY A 91 4.852 18.782 2.187 1.00 23.11 H new ATOM 1353 N HIS A 92 2.182 19.445 3.842 1.00 61.34 N ATOM 1354 CA HIS A 92 0.818 20.024 3.852 1.00 34.31 C ATOM 1355 C HIS A 92 -0.325 19.006 3.970 1.00 2.43 C ATOM 1356 O HIS A 92 -1.481 19.407 4.118 1.00 72.33 O ATOM 1357 CB HIS A 92 0.551 21.004 2.678 1.00 24.32 C ATOM 1358 CG HIS A 92 1.408 22.231 2.691 1.00 11.12 C ATOM 1359 ND1 HIS A 92 2.160 22.661 1.621 1.00 53.45 N ATOM 1360 CD2 HIS A 92 1.605 23.136 3.671 1.00 21.11 C ATOM 1361 CE1 HIS A 92 2.783 23.784 1.978 1.00 32.14 C ATOM 1362 NE2 HIS A 92 2.478 24.123 3.224 1.00 73.14 N ATOM 0 H HIS A 92 2.639 19.505 4.752 1.00 61.34 H new ATOM 0 HA HIS A 92 0.813 20.596 4.780 1.00 34.31 H new ATOM 0 HB2 HIS A 92 0.707 20.476 1.737 1.00 24.32 H new ATOM 0 HB3 HIS A 92 -0.496 21.306 2.704 1.00 24.32 H new ATOM 0 HD1 HIS A 92 2.228 22.201 0.713 1.00 53.45 H new ATOM 0 HD2 HIS A 92 1.155 23.100 4.652 1.00 21.11 H new ATOM 0 HE1 HIS A 92 3.448 24.344 1.338 1.00 32.14 H new ATOM 1370 N SER A 93 -0.041 17.727 3.950 1.00 32.41 N ATOM 1371 CA SER A 93 -1.109 16.729 4.009 1.00 22.22 C ATOM 1372 C SER A 93 -0.747 15.561 4.937 1.00 35.22 C ATOM 1373 O SER A 93 0.374 15.071 4.917 1.00 72.21 O ATOM 1374 CB SER A 93 -1.415 16.200 2.593 1.00 53.02 C ATOM 1375 OG SER A 93 -1.817 17.248 1.713 1.00 24.24 O ATOM 0 H SER A 93 0.903 17.345 3.894 1.00 32.41 H new ATOM 0 HA SER A 93 -1.995 17.216 4.417 1.00 22.22 H new ATOM 0 HB2 SER A 93 -0.531 15.706 2.190 1.00 53.02 H new ATOM 0 HB3 SER A 93 -2.203 15.449 2.648 1.00 53.02 H new ATOM 0 HG SER A 93 -2.001 16.877 0.825 1.00 24.24 H new ATOM 1381 N GLU A 94 -1.683 15.127 5.755 1.00 13.12 N ATOM 1382 CA GLU A 94 -1.448 13.975 6.599 1.00 34.33 C ATOM 1383 C GLU A 94 -2.244 12.799 6.071 1.00 43.43 C ATOM 1384 O GLU A 94 -3.393 12.949 5.638 1.00 11.31 O ATOM 1385 CB GLU A 94 -1.757 14.262 8.080 1.00 33.41 C ATOM 1386 CG GLU A 94 -3.205 14.605 8.386 1.00 14.20 C ATOM 1387 CD GLU A 94 -3.400 15.013 9.820 1.00 64.10 C ATOM 1388 OE1 GLU A 94 -3.247 16.215 10.124 1.00 33.33 O ATOM 1389 OE2 GLU A 94 -3.695 14.155 10.687 1.00 51.41 O ATOM 0 H GLU A 94 -2.606 15.550 5.853 1.00 13.12 H new ATOM 0 HA GLU A 94 -0.387 13.729 6.563 1.00 34.33 H new ATOM 0 HB2 GLU A 94 -1.475 13.389 8.669 1.00 33.41 H new ATOM 0 HB3 GLU A 94 -1.127 15.087 8.412 1.00 33.41 H new ATOM 0 HG2 GLU A 94 -3.531 15.414 7.732 1.00 14.20 H new ATOM 0 HG3 GLU A 94 -3.835 13.743 8.166 1.00 14.20 H new ATOM 1396 N ILE A 95 -1.632 11.664 6.075 1.00 32.32 N ATOM 1397 CA ILE A 95 -2.199 10.482 5.533 1.00 73.21 C ATOM 1398 C ILE A 95 -2.145 9.372 6.606 1.00 5.43 C ATOM 1399 O ILE A 95 -1.124 9.185 7.285 1.00 32.13 O ATOM 1400 CB ILE A 95 -1.426 10.069 4.225 1.00 73.32 C ATOM 1401 CG1 ILE A 95 -2.126 8.954 3.484 1.00 60.23 C ATOM 1402 CG2 ILE A 95 0.023 9.704 4.475 1.00 12.31 C ATOM 1403 CD1 ILE A 95 -3.291 9.425 2.655 1.00 72.12 C ATOM 0 H ILE A 95 -0.699 11.532 6.466 1.00 32.32 H new ATOM 0 HA ILE A 95 -3.240 10.648 5.256 1.00 73.21 H new ATOM 0 HB ILE A 95 -1.429 10.960 3.597 1.00 73.32 H new ATOM 0 HG12 ILE A 95 -1.408 8.452 2.836 1.00 60.23 H new ATOM 0 HG13 ILE A 95 -2.477 8.214 4.203 1.00 60.23 H new ATOM 0 HG21 ILE A 95 0.497 9.429 3.533 1.00 12.31 H new ATOM 0 HG22 ILE A 95 0.544 10.558 4.908 1.00 12.31 H new ATOM 0 HG23 ILE A 95 0.072 8.861 5.165 1.00 12.31 H new ATOM 0 HD11 ILE A 95 -3.747 8.573 2.151 1.00 72.12 H new ATOM 0 HD12 ILE A 95 -4.028 9.901 3.301 1.00 72.12 H new ATOM 0 HD13 ILE A 95 -2.942 10.142 1.912 1.00 72.12 H new ATOM 1415 N ILE A 96 -3.244 8.701 6.808 1.00 31.23 N ATOM 1416 CA ILE A 96 -3.308 7.632 7.785 1.00 23.01 C ATOM 1417 C ILE A 96 -3.346 6.304 7.050 1.00 53.33 C ATOM 1418 O ILE A 96 -4.251 6.061 6.246 1.00 52.24 O ATOM 1419 CB ILE A 96 -4.551 7.746 8.761 1.00 14.24 C ATOM 1420 CG1 ILE A 96 -4.509 9.029 9.644 1.00 72.31 C ATOM 1421 CG2 ILE A 96 -4.661 6.514 9.659 1.00 10.33 C ATOM 1422 CD1 ILE A 96 -4.779 10.341 8.921 1.00 43.33 C ATOM 0 H ILE A 96 -4.117 8.871 6.309 1.00 31.23 H new ATOM 0 HA ILE A 96 -2.421 7.708 8.413 1.00 23.01 H new ATOM 0 HB ILE A 96 -5.431 7.811 8.121 1.00 14.24 H new ATOM 0 HG12 ILE A 96 -5.241 8.920 10.445 1.00 72.31 H new ATOM 0 HG13 ILE A 96 -3.528 9.091 10.115 1.00 72.31 H new ATOM 0 HG21 ILE A 96 -5.523 6.620 10.318 1.00 10.33 H new ATOM 0 HG22 ILE A 96 -4.783 5.624 9.042 1.00 10.33 H new ATOM 0 HG23 ILE A 96 -3.756 6.419 10.258 1.00 10.33 H new ATOM 0 HD11 ILE A 96 -4.725 11.166 9.631 1.00 43.33 H new ATOM 0 HD12 ILE A 96 -4.033 10.486 8.139 1.00 43.33 H new ATOM 0 HD13 ILE A 96 -5.773 10.312 8.474 1.00 43.33 H new ATOM 1434 N VAL A 97 -2.365 5.470 7.289 1.00 14.01 N ATOM 1435 CA VAL A 97 -2.281 4.196 6.621 1.00 12.02 C ATOM 1436 C VAL A 97 -2.992 3.112 7.408 1.00 33.24 C ATOM 1437 O VAL A 97 -2.722 2.901 8.593 1.00 2.41 O ATOM 1438 CB VAL A 97 -0.816 3.788 6.353 1.00 65.25 C ATOM 1439 CG1 VAL A 97 -0.747 2.400 5.739 1.00 62.01 C ATOM 1440 CG2 VAL A 97 -0.169 4.789 5.424 1.00 0.03 C ATOM 0 H VAL A 97 -1.608 5.653 7.947 1.00 14.01 H new ATOM 0 HA VAL A 97 -2.782 4.309 5.660 1.00 12.02 H new ATOM 0 HB VAL A 97 -0.282 3.773 7.303 1.00 65.25 H new ATOM 0 HG11 VAL A 97 0.294 2.133 5.559 1.00 62.01 H new ATOM 0 HG12 VAL A 97 -1.194 1.677 6.422 1.00 62.01 H new ATOM 0 HG13 VAL A 97 -1.292 2.392 4.795 1.00 62.01 H new ATOM 0 HG21 VAL A 97 0.865 4.497 5.238 1.00 0.03 H new ATOM 0 HG22 VAL A 97 -0.714 4.815 4.481 1.00 0.03 H new ATOM 0 HG23 VAL A 97 -0.190 5.778 5.883 1.00 0.03 H new ATOM 1450 N ARG A 98 -3.907 2.453 6.752 1.00 74.11 N ATOM 1451 CA ARG A 98 -4.663 1.378 7.319 1.00 54.23 C ATOM 1452 C ARG A 98 -4.425 0.114 6.527 1.00 32.10 C ATOM 1453 O ARG A 98 -4.155 0.161 5.320 1.00 43.14 O ATOM 1454 CB ARG A 98 -6.148 1.716 7.297 1.00 3.24 C ATOM 1455 CG ARG A 98 -6.528 2.922 8.133 1.00 52.11 C ATOM 1456 CD ARG A 98 -6.313 2.673 9.617 1.00 62.02 C ATOM 1457 NE ARG A 98 -7.031 1.475 10.063 1.00 54.22 N ATOM 1458 CZ ARG A 98 -8.282 1.456 10.557 1.00 70.24 C ATOM 1459 NH1 ARG A 98 -8.962 2.600 10.719 1.00 53.51 N ATOM 1460 NH2 ARG A 98 -8.841 0.299 10.885 1.00 74.21 N ATOM 0 H ARG A 98 -4.151 2.657 5.783 1.00 74.11 H new ATOM 0 HA ARG A 98 -4.344 1.228 8.350 1.00 54.23 H new ATOM 0 HB2 ARG A 98 -6.453 1.894 6.266 1.00 3.24 H new ATOM 0 HB3 ARG A 98 -6.710 0.852 7.651 1.00 3.24 H new ATOM 0 HG2 ARG A 98 -5.936 3.782 7.820 1.00 52.11 H new ATOM 0 HG3 ARG A 98 -7.574 3.173 7.955 1.00 52.11 H new ATOM 0 HD2 ARG A 98 -5.248 2.558 9.819 1.00 62.02 H new ATOM 0 HD3 ARG A 98 -6.654 3.538 10.187 1.00 62.02 H new ATOM 0 HE ARG A 98 -6.542 0.583 9.993 1.00 54.22 H new ATOM 0 HH11 ARG A 98 -8.531 3.490 10.467 1.00 53.51 H new ATOM 0 HH12 ARG A 98 -9.910 2.581 11.094 1.00 53.51 H new ATOM 0 HH21 ARG A 98 -8.323 -0.571 10.762 1.00 74.21 H new ATOM 0 HH22 ARG A 98 -9.789 0.279 11.260 1.00 74.21 H new ATOM 1474 N MET A 99 -4.499 -0.997 7.196 1.00 4.14 N ATOM 1475 CA MET A 99 -4.367 -2.288 6.565 1.00 53.44 C ATOM 1476 C MET A 99 -5.506 -3.162 6.977 1.00 42.42 C ATOM 1477 O MET A 99 -5.616 -3.580 8.134 1.00 34.45 O ATOM 1478 CB MET A 99 -3.033 -2.976 6.852 1.00 14.21 C ATOM 1479 CG MET A 99 -1.830 -2.267 6.264 1.00 30.04 C ATOM 1480 SD MET A 99 -0.302 -3.186 6.506 1.00 25.10 S ATOM 1481 CE MET A 99 0.836 -2.176 5.567 1.00 53.42 C ATOM 0 H MET A 99 -4.654 -1.040 8.203 1.00 4.14 H new ATOM 0 HA MET A 99 -4.390 -2.120 5.488 1.00 53.44 H new ATOM 0 HB2 MET A 99 -2.902 -3.055 7.931 1.00 14.21 H new ATOM 0 HB3 MET A 99 -3.069 -3.992 6.460 1.00 14.21 H new ATOM 0 HG2 MET A 99 -1.991 -2.110 5.197 1.00 30.04 H new ATOM 0 HG3 MET A 99 -1.734 -1.282 6.721 1.00 30.04 H new ATOM 0 HE1 MET A 99 1.834 -2.611 5.616 1.00 53.42 H new ATOM 0 HE2 MET A 99 0.510 -2.131 4.528 1.00 53.42 H new ATOM 0 HE3 MET A 99 0.858 -1.169 5.984 1.00 53.42 H new ATOM 1491 N HIS A 100 -6.346 -3.422 6.050 1.00 1.32 N ATOM 1492 CA HIS A 100 -7.535 -4.181 6.277 1.00 61.12 C ATOM 1493 C HIS A 100 -7.290 -5.629 5.940 1.00 44.22 C ATOM 1494 O HIS A 100 -6.661 -5.918 4.893 1.00 72.02 O ATOM 1495 CB HIS A 100 -8.735 -3.606 5.507 1.00 44.44 C ATOM 1496 CG HIS A 100 -9.104 -2.203 5.918 1.00 11.44 C ATOM 1497 ND1 HIS A 100 -9.970 -1.904 6.947 1.00 33.31 N ATOM 1498 CD2 HIS A 100 -8.688 -1.007 5.425 1.00 54.34 C ATOM 1499 CE1 HIS A 100 -10.054 -0.581 7.050 1.00 35.41 C ATOM 1500 NE2 HIS A 100 -9.294 0.019 6.147 1.00 43.43 N ATOM 1501 OXT HIS A 100 -7.710 -6.506 6.735 1.00 38.79 O ATOM 0 H HIS A 100 -6.232 -3.110 5.086 1.00 1.32 H new ATOM 0 HA HIS A 100 -7.791 -4.114 7.334 1.00 61.12 H new ATOM 0 HB2 HIS A 100 -8.509 -3.615 4.441 1.00 44.44 H new ATOM 0 HB3 HIS A 100 -9.596 -4.257 5.656 1.00 44.44 H new ATOM 0 HD2 HIS A 100 -7.998 -0.873 4.605 1.00 54.34 H new ATOM 0 HE1 HIS A 100 -10.663 -0.063 7.776 1.00 35.41 H new ATOM 0 HE2 HIS A 100 -9.177 1.023 6.009 1.00 43.43 H new