USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 824 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 116 ASN : amide:sc= -1.3 K(o=-2.4,f=-1.3) USER MOD Set 1.2: A 119 HIS : no HE2:sc= -1.14 K(o=-2.4,f=-1.7) USER MOD Set 2.1: A 71 CYS SG : rot -172:sc= 0.923 USER MOD Set 2.2: A 102 CYS SG : rot 180:sc= -3.63! USER MOD Set 3.1: A 82 MET CE :methyl 159:sc= -0.465 (180deg=-1.89!) USER MOD Set 3.2: A 86 GLN : amide:sc= -0.0138 X(o=-0.48,f=-0.95) USER MOD Set 4.1: A 62 SER OG : rot -140:sc= -0.337 USER MOD Set 4.2: A 63 CYS SG : rot -109:sc= 0.826 USER MOD Set 4.3: A 68 CYS SG : rot 180:sc= -0.264 USER MOD Set 4.4: A 70 ASN : amide:sc=-0.000479 X(o=0.22,f=0.22) USER MOD Set 5.1: A 7 ASN : amide:sc= -1.8 K(o=-3.4,f=-5.4!) USER MOD Set 5.2: A 10 THR OG1 : rot -174:sc= -1.63! USER MOD Set 6.1: A 5 TYR OH : rot 6:sc= -0.96! USER MOD Set 6.2: A 57 TYR OH : rot -29:sc= 0.363 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 171:sc= -1.09 USER MOD Single : A 14 GLN : amide:sc= -0.137 K(o=-0.14,f=-0.76) USER MOD Single : A 18 MET CE :methyl 148:sc= -0.749 (180deg=-4.34!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 35:sc= 0.737 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl -168:sc= -9.64! (180deg=-9.94!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -1.42 K(o=-1.4,f=-0.38) USER MOD Single : A 73 SER OG : rot -140:sc= -0.294 USER MOD Single : A 76 LYS NZ :NH3+ 151:sc= 1.17 (180deg=0.165) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.792 K(o=-0.79,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 146:sc= -0.518 (180deg=-1.5) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.00882 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 TYR OH : rot -13:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -19.640 -14.393 13.120 1.00 3.92 N ATOM 2 CA PRO A 1 -18.197 -14.668 12.886 1.00 3.44 C ATOM 3 C PRO A 1 -17.358 -13.451 13.284 1.00 3.50 C ATOM 4 O PRO A 1 -16.598 -12.923 12.494 1.00 4.94 O ATOM 5 CB PRO A 1 -18.108 -14.916 11.386 1.00 2.00 C ATOM 6 CG PRO A 1 -19.276 -14.190 10.805 1.00 4.99 C ATOM 7 CD PRO A 1 -20.352 -14.155 11.860 1.00 3.38 C ATOM 0 H2 PRO A 1 -19.739 -13.579 13.727 1.00 3.92 H new ATOM 0 H3 PRO A 1 -20.063 -15.182 13.608 1.00 3.92 H new ATOM 0 HA PRO A 1 -17.823 -15.509 13.470 1.00 3.44 H new ATOM 0 HB2 PRO A 1 -17.169 -14.542 10.979 1.00 2.00 H new ATOM 0 HB3 PRO A 1 -18.152 -15.981 11.159 1.00 2.00 H new ATOM 0 HG2 PRO A 1 -18.993 -13.179 10.511 1.00 4.99 H new ATOM 0 HG3 PRO A 1 -19.634 -14.694 9.907 1.00 4.99 H new ATOM 0 HD2 PRO A 1 -20.866 -13.194 11.870 1.00 3.38 H new ATOM 0 HD3 PRO A 1 -21.108 -14.919 11.681 1.00 3.38 H new ATOM 17 N THR A 2 -17.488 -13.002 14.502 1.00 3.08 N ATOM 18 CA THR A 2 -16.700 -11.818 14.947 1.00 2.08 C ATOM 19 C THR A 2 -15.489 -12.262 15.774 1.00 2.52 C ATOM 20 O THR A 2 -15.620 -12.962 16.759 1.00 2.28 O ATOM 21 CB THR A 2 -17.662 -10.998 15.807 1.00 3.47 C ATOM 22 OG1 THR A 2 -18.998 -11.263 15.402 1.00 3.73 O ATOM 23 CG2 THR A 2 -17.359 -9.508 15.634 1.00 3.09 C ATOM 0 H THR A 2 -18.105 -13.403 15.208 1.00 3.08 H new ATOM 0 HA THR A 2 -16.315 -11.244 14.105 1.00 2.08 H new ATOM 0 HB THR A 2 -17.539 -11.272 16.855 1.00 3.47 H new ATOM 0 HG1 THR A 2 -19.617 -10.740 15.953 1.00 3.73 H new ATOM 0 HG21 THR A 2 -18.045 -8.924 16.247 1.00 3.09 H new ATOM 0 HG22 THR A 2 -16.334 -9.307 15.944 1.00 3.09 H new ATOM 0 HG23 THR A 2 -17.482 -9.231 14.587 1.00 3.09 H new ATOM 31 N VAL A 3 -14.315 -11.856 15.380 1.00 10.00 N ATOM 32 CA VAL A 3 -13.092 -12.246 16.139 1.00 10.00 C ATOM 33 C VAL A 3 -12.156 -11.041 16.264 1.00 10.00 C ATOM 34 O VAL A 3 -11.560 -10.605 15.299 1.00 10.00 O ATOM 35 CB VAL A 3 -12.444 -13.350 15.303 1.00 10.00 C ATOM 36 CG1 VAL A 3 -11.313 -14.001 16.101 1.00 10.00 C ATOM 37 CG2 VAL A 3 -13.494 -14.407 14.951 1.00 10.00 C ATOM 0 H VAL A 3 -14.148 -11.269 14.563 1.00 10.00 H new ATOM 0 HA VAL A 3 -13.315 -12.585 17.151 1.00 10.00 H new ATOM 0 HB VAL A 3 -12.039 -12.920 14.387 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -10.852 -14.788 15.504 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -10.564 -13.249 16.351 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -11.715 -14.431 17.018 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -13.032 -15.194 14.355 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -13.900 -14.836 15.867 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -14.299 -13.944 14.380 1.00 10.00 H new ATOM 47 N GLU A 4 -12.023 -10.495 17.442 1.00 10.00 N ATOM 48 CA GLU A 4 -11.126 -9.315 17.616 1.00 10.00 C ATOM 49 C GLU A 4 -9.668 -9.769 17.714 1.00 10.00 C ATOM 50 O GLU A 4 -9.312 -10.568 18.558 1.00 10.00 O ATOM 51 CB GLU A 4 -11.575 -8.662 18.924 1.00 50.00 C ATOM 52 CG GLU A 4 -11.299 -7.157 18.865 1.00 50.00 C ATOM 53 CD GLU A 4 -12.250 -6.425 19.813 1.00 50.00 C ATOM 54 OE1 GLU A 4 -12.974 -7.096 20.530 1.00 50.00 O ATOM 55 OE2 GLU A 4 -12.239 -5.205 19.805 1.00 50.00 O ATOM 0 H GLU A 4 -12.494 -10.813 18.289 1.00 10.00 H new ATOM 0 HA GLU A 4 -11.187 -8.624 16.776 1.00 10.00 H new ATOM 0 HB2 GLU A 4 -12.638 -8.841 19.086 1.00 50.00 H new ATOM 0 HB3 GLU A 4 -11.044 -9.107 19.766 1.00 50.00 H new ATOM 0 HG2 GLU A 4 -10.265 -6.955 19.144 1.00 50.00 H new ATOM 0 HG3 GLU A 4 -11.432 -6.792 17.847 1.00 50.00 H new ATOM 62 N TYR A 5 -8.823 -9.268 16.856 1.00 10.00 N ATOM 63 CA TYR A 5 -7.390 -9.674 16.903 1.00 10.00 C ATOM 64 C TYR A 5 -6.567 -8.639 17.673 1.00 10.00 C ATOM 65 O TYR A 5 -6.741 -7.446 17.513 1.00 10.00 O ATOM 66 CB TYR A 5 -6.942 -9.743 15.440 1.00 10.00 C ATOM 67 CG TYR A 5 -7.107 -8.390 14.787 1.00 10.00 C ATOM 68 CD1 TYR A 5 -6.097 -7.429 14.906 1.00 10.00 C ATOM 69 CD2 TYR A 5 -8.265 -8.102 14.054 1.00 10.00 C ATOM 70 CE1 TYR A 5 -6.246 -6.179 14.293 1.00 50.00 C ATOM 71 CE2 TYR A 5 -8.414 -6.852 13.442 1.00 50.00 C ATOM 72 CZ TYR A 5 -7.405 -5.890 13.560 1.00 50.00 C ATOM 73 OH TYR A 5 -7.552 -4.659 12.954 1.00 50.00 O ATOM 0 H TYR A 5 -9.062 -8.597 16.126 1.00 10.00 H new ATOM 0 HA TYR A 5 -7.252 -10.627 17.413 1.00 10.00 H new ATOM 0 HB2 TYR A 5 -5.900 -10.059 15.384 1.00 10.00 H new ATOM 0 HB3 TYR A 5 -7.530 -10.489 14.905 1.00 10.00 H new ATOM 0 HD1 TYR A 5 -5.203 -7.651 15.470 1.00 10.00 H new ATOM 0 HD2 TYR A 5 -9.043 -8.845 13.961 1.00 10.00 H new ATOM 0 HE1 TYR A 5 -5.467 -5.437 14.385 1.00 50.00 H new ATOM 0 HE2 TYR A 5 -9.308 -6.630 12.878 1.00 50.00 H new ATOM 0 HH TYR A 5 -6.723 -4.145 13.052 1.00 50.00 H new ATOM 83 N LEU A 6 -5.673 -9.091 18.509 1.00 10.00 N ATOM 84 CA LEU A 6 -4.834 -8.143 19.294 1.00 10.00 C ATOM 85 C LEU A 6 -3.351 -8.472 19.096 1.00 10.00 C ATOM 86 O LEU A 6 -2.939 -9.611 19.190 1.00 10.00 O ATOM 87 CB LEU A 6 -5.244 -8.363 20.750 1.00 12.50 C ATOM 88 CG LEU A 6 -5.772 -7.050 21.334 1.00 12.50 C ATOM 89 CD1 LEU A 6 -6.146 -7.262 22.802 1.00 50.00 C ATOM 90 CD2 LEU A 6 -4.690 -5.974 21.236 1.00 50.00 C ATOM 0 H LEU A 6 -5.487 -10.079 18.682 1.00 10.00 H new ATOM 0 HA LEU A 6 -4.976 -7.107 18.986 1.00 10.00 H new ATOM 0 HB2 LEU A 6 -6.011 -9.135 20.811 1.00 12.50 H new ATOM 0 HB3 LEU A 6 -4.391 -8.715 21.330 1.00 12.50 H new ATOM 0 HG LEU A 6 -6.651 -6.732 20.774 1.00 12.50 H new ATOM 0 HD11 LEU A 6 -6.522 -6.328 23.220 1.00 50.00 H new ATOM 0 HD12 LEU A 6 -6.917 -8.029 22.874 1.00 50.00 H new ATOM 0 HD13 LEU A 6 -5.265 -7.580 23.360 1.00 50.00 H new ATOM 0 HD21 LEU A 6 -5.067 -5.040 21.652 1.00 50.00 H new ATOM 0 HD22 LEU A 6 -3.810 -6.291 21.795 1.00 50.00 H new ATOM 0 HD23 LEU A 6 -4.421 -5.823 20.191 1.00 50.00 H new ATOM 102 N ASN A 7 -2.550 -7.483 18.817 1.00 10.00 N ATOM 103 CA ASN A 7 -1.095 -7.734 18.607 1.00 10.00 C ATOM 104 C ASN A 7 -0.467 -8.343 19.862 1.00 10.00 C ATOM 105 O ASN A 7 -0.547 -7.790 20.940 1.00 10.00 O ATOM 106 CB ASN A 7 -0.502 -6.356 18.324 1.00 10.00 C ATOM 107 CG ASN A 7 1.000 -6.483 18.069 1.00 10.00 C ATOM 108 OD1 ASN A 7 1.495 -7.561 17.800 1.00 12.50 O ATOM 109 ND2 ASN A 7 1.751 -5.420 18.142 1.00 12.50 N ATOM 0 H ASN A 7 -2.839 -6.509 18.725 1.00 10.00 H new ATOM 0 HA ASN A 7 -0.910 -8.438 17.795 1.00 10.00 H new ATOM 0 HB2 ASN A 7 -0.991 -5.910 17.458 1.00 10.00 H new ATOM 0 HB3 ASN A 7 -0.682 -5.692 19.169 1.00 10.00 H new ATOM 0 HD21 ASN A 7 2.754 -5.492 17.973 1.00 12.50 H new ATOM 0 HD22 ASN A 7 1.335 -4.516 18.368 1.00 12.50 H new ATOM 116 N TYR A 8 0.167 -9.478 19.728 1.00 50.00 N ATOM 117 CA TYR A 8 0.807 -10.117 20.913 1.00 50.00 C ATOM 118 C TYR A 8 1.828 -9.159 21.528 1.00 50.00 C ATOM 119 O TYR A 8 2.017 -9.119 22.727 1.00 50.00 O ATOM 120 CB TYR A 8 1.506 -11.362 20.365 1.00 50.00 C ATOM 121 CG TYR A 8 2.483 -11.883 21.393 1.00 50.00 C ATOM 122 CD1 TYR A 8 2.065 -12.821 22.345 1.00 50.00 C ATOM 123 CD2 TYR A 8 3.808 -11.429 21.392 1.00 50.00 C ATOM 124 CE1 TYR A 8 2.972 -13.304 23.296 1.00 50.00 C ATOM 125 CE2 TYR A 8 4.714 -11.911 22.344 1.00 50.00 C ATOM 126 CZ TYR A 8 4.296 -12.849 23.296 1.00 50.00 C ATOM 127 OH TYR A 8 5.190 -13.324 24.234 1.00 50.00 O ATOM 0 H TYR A 8 0.269 -9.989 18.851 1.00 50.00 H new ATOM 0 HA TYR A 8 0.086 -10.367 21.692 1.00 50.00 H new ATOM 0 HB2 TYR A 8 0.770 -12.129 20.125 1.00 50.00 H new ATOM 0 HB3 TYR A 8 2.029 -11.121 19.440 1.00 50.00 H new ATOM 0 HD1 TYR A 8 1.044 -13.172 22.346 1.00 50.00 H new ATOM 0 HD2 TYR A 8 4.131 -10.707 20.657 1.00 50.00 H new ATOM 0 HE1 TYR A 8 2.650 -14.028 24.030 1.00 50.00 H new ATOM 0 HE2 TYR A 8 5.735 -11.560 22.344 1.00 50.00 H new ATOM 0 HH TYR A 8 6.094 -13.021 24.007 1.00 50.00 H new ATOM 137 N GLU A 9 2.485 -8.385 20.710 1.00 25.00 N ATOM 138 CA GLU A 9 3.495 -7.425 21.240 1.00 25.00 C ATOM 139 C GLU A 9 2.798 -6.339 22.062 1.00 25.00 C ATOM 140 O GLU A 9 3.325 -5.857 23.046 1.00 25.00 O ATOM 141 CB GLU A 9 4.157 -6.823 20.001 1.00 50.00 C ATOM 142 CG GLU A 9 5.253 -7.767 19.500 1.00 50.00 C ATOM 143 CD GLU A 9 6.401 -6.948 18.907 1.00 50.00 C ATOM 144 OE1 GLU A 9 6.150 -6.200 17.976 1.00 50.00 O ATOM 145 OE2 GLU A 9 7.512 -7.083 19.394 1.00 50.00 O ATOM 0 H GLU A 9 2.367 -8.375 19.697 1.00 25.00 H new ATOM 0 HA GLU A 9 4.223 -7.904 21.895 1.00 25.00 H new ATOM 0 HB2 GLU A 9 3.414 -6.664 19.220 1.00 50.00 H new ATOM 0 HB3 GLU A 9 4.583 -5.848 20.240 1.00 50.00 H new ATOM 0 HG2 GLU A 9 5.619 -8.384 20.320 1.00 50.00 H new ATOM 0 HG3 GLU A 9 4.849 -8.444 18.747 1.00 50.00 H new ATOM 152 N THR A 10 1.613 -5.956 21.672 1.00 50.00 N ATOM 153 CA THR A 10 0.882 -4.908 22.439 1.00 50.00 C ATOM 154 C THR A 10 0.601 -5.409 23.856 1.00 50.00 C ATOM 155 O THR A 10 0.585 -4.650 24.804 1.00 50.00 O ATOM 156 CB THR A 10 -0.425 -4.690 21.676 1.00 50.00 C ATOM 157 OG1 THR A 10 -0.148 -4.065 20.431 1.00 50.00 O ATOM 158 CG2 THR A 10 -1.355 -3.799 22.501 1.00 50.00 C ATOM 0 H THR A 10 1.120 -6.322 20.857 1.00 50.00 H new ATOM 0 HA THR A 10 1.452 -3.984 22.529 1.00 50.00 H new ATOM 0 HB THR A 10 -0.908 -5.651 21.499 1.00 50.00 H new ATOM 0 HG1 THR A 10 -0.990 -3.840 19.983 1.00 50.00 H new ATOM 0 HG21 THR A 10 -2.287 -3.643 21.957 1.00 50.00 H new ATOM 0 HG22 THR A 10 -1.568 -4.280 23.455 1.00 50.00 H new ATOM 0 HG23 THR A 10 -0.874 -2.837 22.679 1.00 50.00 H new ATOM 166 N LEU A 11 0.385 -6.688 24.006 1.00 50.00 N ATOM 167 CA LEU A 11 0.113 -7.241 25.361 1.00 50.00 C ATOM 168 C LEU A 11 1.355 -7.087 26.241 1.00 50.00 C ATOM 169 O LEU A 11 1.271 -6.710 27.394 1.00 50.00 O ATOM 170 CB LEU A 11 -0.202 -8.719 25.128 1.00 50.00 C ATOM 171 CG LEU A 11 -1.159 -9.213 26.213 1.00 50.00 C ATOM 172 CD1 LEU A 11 -1.522 -10.675 25.946 1.00 50.00 C ATOM 173 CD2 LEU A 11 -0.482 -9.096 27.580 1.00 50.00 C ATOM 0 H LEU A 11 0.385 -7.372 23.249 1.00 50.00 H new ATOM 0 HA LEU A 11 -0.705 -6.728 25.867 1.00 50.00 H new ATOM 0 HB2 LEU A 11 -0.650 -8.856 24.144 1.00 50.00 H new ATOM 0 HB3 LEU A 11 0.717 -9.305 25.144 1.00 50.00 H new ATOM 0 HG LEU A 11 -2.065 -8.607 26.203 1.00 50.00 H new ATOM 0 HD11 LEU A 11 -2.204 -11.028 26.719 1.00 50.00 H new ATOM 0 HD12 LEU A 11 -2.004 -10.758 24.972 1.00 50.00 H new ATOM 0 HD13 LEU A 11 -0.617 -11.282 25.956 1.00 50.00 H new ATOM 0 HD21 LEU A 11 -1.163 -9.448 28.355 1.00 50.00 H new ATOM 0 HD22 LEU A 11 0.424 -9.702 27.591 1.00 50.00 H new ATOM 0 HD23 LEU A 11 -0.223 -8.054 27.770 1.00 50.00 H new ATOM 185 N ASP A 12 2.508 -7.369 25.701 1.00 50.00 N ATOM 186 CA ASP A 12 3.763 -7.236 26.496 1.00 50.00 C ATOM 187 C ASP A 12 4.171 -5.764 26.590 1.00 50.00 C ATOM 188 O ASP A 12 4.472 -5.259 27.655 1.00 50.00 O ATOM 189 CB ASP A 12 4.809 -8.032 25.718 1.00 50.00 C ATOM 190 CG ASP A 12 4.841 -9.473 26.230 1.00 50.00 C ATOM 191 OD1 ASP A 12 3.818 -10.133 26.149 1.00 50.00 O ATOM 192 OD2 ASP A 12 5.888 -9.893 26.694 1.00 50.00 O ATOM 0 H ASP A 12 2.637 -7.687 24.740 1.00 50.00 H new ATOM 0 HA ASP A 12 3.649 -7.602 27.516 1.00 50.00 H new ATOM 0 HB2 ASP A 12 4.574 -8.018 24.654 1.00 50.00 H new ATOM 0 HB3 ASP A 12 5.791 -7.572 25.833 1.00 50.00 H new ATOM 197 N ASP A 13 4.185 -5.071 25.485 1.00 50.00 N ATOM 198 CA ASP A 13 4.572 -3.631 25.509 1.00 50.00 C ATOM 199 C ASP A 13 3.717 -2.877 26.530 1.00 50.00 C ATOM 200 O ASP A 13 4.226 -2.249 27.438 1.00 50.00 O ATOM 201 CB ASP A 13 4.296 -3.121 24.095 1.00 50.00 C ATOM 202 CG ASP A 13 5.586 -3.169 23.274 1.00 50.00 C ATOM 203 OD1 ASP A 13 6.459 -3.946 23.624 1.00 50.00 O ATOM 204 OD2 ASP A 13 5.678 -2.428 22.309 1.00 50.00 O ATOM 0 H ASP A 13 3.945 -5.440 24.565 1.00 50.00 H new ATOM 0 HA ASP A 13 5.614 -3.486 25.795 1.00 50.00 H new ATOM 0 HB2 ASP A 13 3.528 -3.731 23.620 1.00 50.00 H new ATOM 0 HB3 ASP A 13 3.914 -2.101 24.133 1.00 50.00 H new ATOM 209 N GLN A 14 2.422 -2.936 26.389 1.00 50.00 N ATOM 210 CA GLN A 14 1.534 -2.225 27.351 1.00 50.00 C ATOM 211 C GLN A 14 1.718 -2.798 28.759 1.00 50.00 C ATOM 212 O GLN A 14 1.656 -2.087 29.743 1.00 50.00 O ATOM 213 CB GLN A 14 0.116 -2.488 26.847 1.00 50.00 C ATOM 214 CG GLN A 14 -0.746 -1.246 27.077 1.00 50.00 C ATOM 215 CD GLN A 14 -1.804 -1.149 25.976 1.00 50.00 C ATOM 216 OE1 GLN A 14 -1.507 -1.339 24.813 1.00 50.00 O ATOM 217 NE2 GLN A 14 -3.035 -0.859 26.295 1.00 50.00 N ATOM 0 H GLN A 14 1.940 -3.446 25.649 1.00 50.00 H new ATOM 0 HA GLN A 14 1.755 -1.159 27.409 1.00 50.00 H new ATOM 0 HB2 GLN A 14 0.136 -2.738 25.786 1.00 50.00 H new ATOM 0 HB3 GLN A 14 -0.314 -3.343 27.368 1.00 50.00 H new ATOM 0 HG2 GLN A 14 -1.226 -1.299 28.054 1.00 50.00 H new ATOM 0 HG3 GLN A 14 -0.122 -0.352 27.077 1.00 50.00 H new ATOM 0 HE21 GLN A 14 -3.285 -0.699 27.271 1.00 50.00 H new ATOM 0 HE22 GLN A 14 -3.748 -0.792 25.569 1.00 50.00 H new ATOM 226 N GLY A 15 1.943 -4.079 28.862 1.00 50.00 N ATOM 227 CA GLY A 15 2.131 -4.695 30.204 1.00 50.00 C ATOM 228 C GLY A 15 0.782 -5.188 30.735 1.00 50.00 C ATOM 229 O GLY A 15 0.536 -5.188 31.925 1.00 50.00 O ATOM 0 H GLY A 15 2.005 -4.725 28.075 1.00 50.00 H new ATOM 0 HA2 GLY A 15 2.834 -5.526 30.139 1.00 50.00 H new ATOM 0 HA3 GLY A 15 2.561 -3.967 30.893 1.00 50.00 H new ATOM 233 N TRP A 16 -0.093 -5.607 29.862 1.00 50.00 N ATOM 234 CA TRP A 16 -1.425 -6.100 30.320 1.00 50.00 C ATOM 235 C TRP A 16 -1.407 -7.624 30.452 1.00 50.00 C ATOM 236 O TRP A 16 -0.372 -8.253 30.362 1.00 50.00 O ATOM 237 CB TRP A 16 -2.405 -5.671 29.229 1.00 50.00 C ATOM 238 CG TRP A 16 -3.147 -4.452 29.675 1.00 50.00 C ATOM 239 CD1 TRP A 16 -4.487 -4.380 29.852 1.00 50.00 C ATOM 240 CD2 TRP A 16 -2.619 -3.135 30.003 1.00 50.00 C ATOM 241 NE1 TRP A 16 -4.814 -3.103 30.269 1.00 50.00 N ATOM 242 CE2 TRP A 16 -3.697 -2.298 30.377 1.00 50.00 C ATOM 243 CE3 TRP A 16 -1.322 -2.591 30.013 1.00 50.00 C ATOM 244 CZ2 TRP A 16 -3.496 -0.968 30.746 1.00 50.00 C ATOM 245 CZ3 TRP A 16 -1.117 -1.252 30.385 1.00 50.00 C ATOM 246 CH2 TRP A 16 -2.201 -0.443 30.751 1.00 50.00 C ATOM 0 H TRP A 16 0.055 -5.630 28.853 1.00 50.00 H new ATOM 0 HA TRP A 16 -1.699 -5.698 31.295 1.00 50.00 H new ATOM 0 HB2 TRP A 16 -1.867 -5.464 28.304 1.00 50.00 H new ATOM 0 HB3 TRP A 16 -3.106 -6.479 29.017 1.00 50.00 H new ATOM 0 HD1 TRP A 16 -5.186 -5.188 29.693 1.00 50.00 H new ATOM 0 HE1 TRP A 16 -5.764 -2.793 30.472 1.00 50.00 H new ATOM 0 HE3 TRP A 16 -0.479 -3.206 29.733 1.00 50.00 H new ATOM 0 HZ2 TRP A 16 -4.335 -0.348 31.026 1.00 50.00 H new ATOM 0 HZ3 TRP A 16 -0.117 -0.843 30.389 1.00 50.00 H new ATOM 0 HH2 TRP A 16 -2.036 0.585 31.037 1.00 50.00 H new ATOM 257 N ASP A 17 -2.546 -8.223 30.663 1.00 50.00 N ATOM 258 CA ASP A 17 -2.592 -9.707 30.799 1.00 50.00 C ATOM 259 C ASP A 17 -3.411 -10.320 29.660 1.00 50.00 C ATOM 260 O ASP A 17 -3.730 -9.665 28.688 1.00 50.00 O ATOM 261 CB ASP A 17 -3.269 -9.962 32.145 1.00 50.00 C ATOM 262 CG ASP A 17 -2.389 -10.887 32.990 1.00 50.00 C ATOM 263 OD1 ASP A 17 -1.221 -11.018 32.666 1.00 50.00 O ATOM 264 OD2 ASP A 17 -2.900 -11.448 33.945 1.00 50.00 O ATOM 0 H ASP A 17 -3.446 -7.751 30.747 1.00 50.00 H new ATOM 0 HA ASP A 17 -1.600 -10.155 30.751 1.00 50.00 H new ATOM 0 HB2 ASP A 17 -3.431 -9.019 32.667 1.00 50.00 H new ATOM 0 HB3 ASP A 17 -4.249 -10.414 31.992 1.00 50.00 H new ATOM 269 N MET A 18 -3.747 -11.576 29.772 1.00 50.00 N ATOM 270 CA MET A 18 -4.540 -12.238 28.696 1.00 50.00 C ATOM 271 C MET A 18 -6.000 -11.781 28.747 1.00 50.00 C ATOM 272 O MET A 18 -6.606 -11.495 27.734 1.00 50.00 O ATOM 273 CB MET A 18 -4.435 -13.733 28.994 1.00 50.00 C ATOM 274 CG MET A 18 -2.991 -14.196 28.787 1.00 50.00 C ATOM 275 SD MET A 18 -2.884 -15.177 27.269 1.00 50.00 S ATOM 276 CE MET A 18 -1.894 -14.006 26.310 1.00 50.00 C ATOM 0 H MET A 18 -3.507 -12.174 30.563 1.00 50.00 H new ATOM 0 HA MET A 18 -4.170 -11.991 27.701 1.00 50.00 H new ATOM 0 HB2 MET A 18 -4.749 -13.933 30.019 1.00 50.00 H new ATOM 0 HB3 MET A 18 -5.104 -14.293 28.341 1.00 50.00 H new ATOM 0 HG2 MET A 18 -2.327 -13.334 28.723 1.00 50.00 H new ATOM 0 HG3 MET A 18 -2.662 -14.789 29.640 1.00 50.00 H new ATOM 0 HE1 MET A 18 -1.248 -14.553 25.623 1.00 50.00 H new ATOM 0 HE2 MET A 18 -2.554 -13.350 25.743 1.00 50.00 H new ATOM 0 HE3 MET A 18 -1.282 -13.408 26.985 1.00 50.00 H new ATOM 286 N ASP A 19 -6.573 -11.717 29.917 1.00 50.00 N ATOM 287 CA ASP A 19 -7.996 -11.284 30.026 1.00 50.00 C ATOM 288 C ASP A 19 -8.251 -10.641 31.392 1.00 50.00 C ATOM 289 O ASP A 19 -9.375 -10.552 31.847 1.00 50.00 O ATOM 290 CB ASP A 19 -8.812 -12.569 29.883 1.00 50.00 C ATOM 291 CG ASP A 19 -8.413 -13.550 30.987 1.00 50.00 C ATOM 292 OD1 ASP A 19 -7.476 -13.251 31.708 1.00 50.00 O ATOM 293 OD2 ASP A 19 -9.052 -14.585 31.091 1.00 50.00 O ATOM 0 H ASP A 19 -6.119 -11.945 30.801 1.00 50.00 H new ATOM 0 HA ASP A 19 -8.260 -10.544 29.271 1.00 50.00 H new ATOM 0 HB2 ASP A 19 -9.877 -12.346 29.947 1.00 50.00 H new ATOM 0 HB3 ASP A 19 -8.639 -13.016 28.904 1.00 50.00 H new ATOM 298 N ASP A 20 -7.218 -10.195 32.050 1.00 50.00 N ATOM 299 CA ASP A 20 -7.403 -9.562 33.385 1.00 50.00 C ATOM 300 C ASP A 20 -8.117 -8.215 33.240 1.00 50.00 C ATOM 301 O ASP A 20 -9.193 -8.012 33.768 1.00 50.00 O ATOM 302 CB ASP A 20 -5.988 -9.365 33.929 1.00 50.00 C ATOM 303 CG ASP A 20 -5.987 -9.592 35.441 1.00 50.00 C ATOM 304 OD1 ASP A 20 -6.907 -10.230 35.925 1.00 50.00 O ATOM 305 OD2 ASP A 20 -5.066 -9.124 36.090 1.00 50.00 O ATOM 0 H ASP A 20 -6.254 -10.241 31.721 1.00 50.00 H new ATOM 0 HA ASP A 20 -8.014 -10.173 34.050 1.00 50.00 H new ATOM 0 HB2 ASP A 20 -5.301 -10.060 33.446 1.00 50.00 H new ATOM 0 HB3 ASP A 20 -5.636 -8.359 33.701 1.00 50.00 H new ATOM 310 N ASP A 21 -7.528 -7.294 32.528 1.00 50.00 N ATOM 311 CA ASP A 21 -8.174 -5.963 32.353 1.00 50.00 C ATOM 312 C ASP A 21 -9.256 -6.033 31.270 1.00 50.00 C ATOM 313 O ASP A 21 -10.323 -6.575 31.481 1.00 50.00 O ATOM 314 CB ASP A 21 -7.034 -5.027 31.945 1.00 50.00 C ATOM 315 CG ASP A 21 -7.586 -3.617 31.720 1.00 50.00 C ATOM 316 OD1 ASP A 21 -8.065 -3.032 32.676 1.00 50.00 O ATOM 317 OD2 ASP A 21 -7.519 -3.148 30.596 1.00 50.00 O ATOM 0 H ASP A 21 -6.628 -7.405 32.060 1.00 50.00 H new ATOM 0 HA ASP A 21 -8.674 -5.617 33.258 1.00 50.00 H new ATOM 0 HB2 ASP A 21 -6.268 -5.010 32.721 1.00 50.00 H new ATOM 0 HB3 ASP A 21 -6.558 -5.392 31.035 1.00 50.00 H new ATOM 322 N ASP A 22 -8.990 -5.497 30.115 1.00 50.00 N ATOM 323 CA ASP A 22 -9.993 -5.533 29.018 1.00 50.00 C ATOM 324 C ASP A 22 -9.327 -5.053 27.739 1.00 50.00 C ATOM 325 O ASP A 22 -9.889 -4.308 26.963 1.00 50.00 O ATOM 326 CB ASP A 22 -11.110 -4.583 29.452 1.00 50.00 C ATOM 327 CG ASP A 22 -12.438 -5.344 29.493 1.00 50.00 C ATOM 328 OD1 ASP A 22 -13.109 -5.379 28.475 1.00 50.00 O ATOM 329 OD2 ASP A 22 -12.758 -5.879 30.542 1.00 50.00 O ATOM 0 H ASP A 22 -8.113 -5.031 29.882 1.00 50.00 H new ATOM 0 HA ASP A 22 -10.390 -6.531 28.831 1.00 50.00 H new ATOM 0 HB2 ASP A 22 -10.887 -4.166 30.434 1.00 50.00 H new ATOM 0 HB3 ASP A 22 -11.180 -3.745 28.758 1.00 50.00 H new ATOM 334 N LEU A 23 -8.116 -5.477 27.541 1.00 50.00 N ATOM 335 CA LEU A 23 -7.344 -5.068 26.328 1.00 50.00 C ATOM 336 C LEU A 23 -8.259 -4.928 25.105 1.00 50.00 C ATOM 337 O LEU A 23 -8.341 -3.877 24.499 1.00 50.00 O ATOM 338 CB LEU A 23 -6.335 -6.195 26.110 1.00 50.00 C ATOM 339 CG LEU A 23 -5.006 -5.820 26.768 1.00 50.00 C ATOM 340 CD1 LEU A 23 -4.018 -6.978 26.615 1.00 50.00 C ATOM 341 CD2 LEU A 23 -4.437 -4.572 26.090 1.00 50.00 C ATOM 0 H LEU A 23 -7.615 -6.100 28.175 1.00 50.00 H new ATOM 0 HA LEU A 23 -6.866 -4.098 26.464 1.00 50.00 H new ATOM 0 HB2 LEU A 23 -6.714 -7.125 26.534 1.00 50.00 H new ATOM 0 HB3 LEU A 23 -6.190 -6.367 25.044 1.00 50.00 H new ATOM 0 HG LEU A 23 -5.168 -5.617 27.827 1.00 50.00 H new ATOM 0 HD11 LEU A 23 -3.070 -6.712 27.083 1.00 50.00 H new ATOM 0 HD12 LEU A 23 -4.423 -7.868 27.096 1.00 50.00 H new ATOM 0 HD13 LEU A 23 -3.855 -7.180 25.556 1.00 50.00 H new ATOM 0 HD21 LEU A 23 -3.490 -4.304 26.558 1.00 50.00 H new ATOM 0 HD22 LEU A 23 -4.274 -4.775 25.032 1.00 50.00 H new ATOM 0 HD23 LEU A 23 -5.141 -3.747 26.197 1.00 50.00 H new ATOM 353 N PHE A 24 -8.942 -5.976 24.731 1.00 50.00 N ATOM 354 CA PHE A 24 -9.841 -5.894 23.542 1.00 50.00 C ATOM 355 C PHE A 24 -10.823 -4.734 23.707 1.00 50.00 C ATOM 356 O PHE A 24 -11.260 -4.134 22.745 1.00 50.00 O ATOM 357 CB PHE A 24 -10.579 -7.232 23.512 1.00 50.00 C ATOM 358 CG PHE A 24 -9.666 -8.296 22.951 1.00 50.00 C ATOM 359 CD1 PHE A 24 -9.222 -8.210 21.626 1.00 50.00 C ATOM 360 CD2 PHE A 24 -9.262 -9.366 23.757 1.00 50.00 C ATOM 361 CE1 PHE A 24 -8.375 -9.196 21.107 1.00 50.00 C ATOM 362 CE2 PHE A 24 -8.414 -10.352 23.238 1.00 50.00 C ATOM 363 CZ PHE A 24 -7.970 -10.266 21.913 1.00 50.00 C ATOM 0 H PHE A 24 -8.917 -6.884 25.195 1.00 50.00 H new ATOM 0 HA PHE A 24 -9.294 -5.714 22.617 1.00 50.00 H new ATOM 0 HB2 PHE A 24 -10.900 -7.506 24.517 1.00 50.00 H new ATOM 0 HB3 PHE A 24 -11.478 -7.150 22.902 1.00 50.00 H new ATOM 0 HD1 PHE A 24 -9.533 -7.383 21.005 1.00 50.00 H new ATOM 0 HD2 PHE A 24 -9.604 -9.431 24.779 1.00 50.00 H new ATOM 0 HE1 PHE A 24 -8.034 -9.131 20.084 1.00 50.00 H new ATOM 0 HE2 PHE A 24 -8.103 -11.178 23.860 1.00 50.00 H new ATOM 0 HZ PHE A 24 -7.315 -11.026 21.513 1.00 50.00 H new ATOM 373 N GLU A 25 -11.166 -4.411 24.921 1.00 50.00 N ATOM 374 CA GLU A 25 -12.112 -3.284 25.154 1.00 50.00 C ATOM 375 C GLU A 25 -11.330 -1.980 25.336 1.00 50.00 C ATOM 376 O GLU A 25 -11.605 -0.985 24.697 1.00 50.00 O ATOM 377 CB GLU A 25 -12.856 -3.651 26.438 1.00 50.00 C ATOM 378 CG GLU A 25 -13.591 -2.419 26.973 1.00 50.00 C ATOM 379 CD GLU A 25 -15.019 -2.806 27.362 1.00 50.00 C ATOM 380 OE1 GLU A 25 -15.850 -2.903 26.473 1.00 50.00 O ATOM 381 OE2 GLU A 25 -15.260 -2.998 28.543 1.00 50.00 O ATOM 0 H GLU A 25 -10.832 -4.879 25.764 1.00 50.00 H new ATOM 0 HA GLU A 25 -12.797 -3.133 24.320 1.00 50.00 H new ATOM 0 HB2 GLU A 25 -13.566 -4.455 26.242 1.00 50.00 H new ATOM 0 HB3 GLU A 25 -12.153 -4.021 27.185 1.00 50.00 H new ATOM 0 HG2 GLU A 25 -13.064 -2.015 27.837 1.00 50.00 H new ATOM 0 HG3 GLU A 25 -13.609 -1.635 26.215 1.00 50.00 H new ATOM 388 N LYS A 26 -10.349 -1.981 26.198 1.00 50.00 N ATOM 389 CA LYS A 26 -9.545 -0.745 26.414 1.00 50.00 C ATOM 390 C LYS A 26 -8.812 -0.369 25.123 1.00 50.00 C ATOM 391 O LYS A 26 -8.380 0.753 24.946 1.00 50.00 O ATOM 392 CB LYS A 26 -8.547 -1.110 27.514 1.00 50.00 C ATOM 393 CG LYS A 26 -7.410 -0.086 27.536 1.00 50.00 C ATOM 394 CD LYS A 26 -7.988 1.313 27.754 1.00 50.00 C ATOM 395 CE LYS A 26 -6.913 2.361 27.461 1.00 50.00 C ATOM 396 NZ LYS A 26 -6.472 2.839 28.802 1.00 50.00 N ATOM 0 H LYS A 26 -10.070 -2.784 26.761 1.00 50.00 H new ATOM 0 HA LYS A 26 -10.160 0.110 26.693 1.00 50.00 H new ATOM 0 HB2 LYS A 26 -9.049 -1.132 28.481 1.00 50.00 H new ATOM 0 HB3 LYS A 26 -8.147 -2.109 27.339 1.00 50.00 H new ATOM 0 HG2 LYS A 26 -6.704 -0.327 28.331 1.00 50.00 H new ATOM 0 HG3 LYS A 26 -6.857 -0.120 26.597 1.00 50.00 H new ATOM 0 HD2 LYS A 26 -8.849 1.468 27.103 1.00 50.00 H new ATOM 0 HD3 LYS A 26 -8.341 1.416 28.780 1.00 50.00 H new ATOM 0 HE2 LYS A 26 -6.082 1.930 26.902 1.00 50.00 H new ATOM 0 HE3 LYS A 26 -7.311 3.179 26.861 1.00 50.00 H new ATOM 0 HZ1 LYS A 26 -5.733 3.562 28.687 1.00 50.00 H new ATOM 0 HZ2 LYS A 26 -7.283 3.249 29.308 1.00 50.00 H new ATOM 0 HZ3 LYS A 26 -6.092 2.039 29.348 1.00 50.00 H new ATOM 410 N ALA A 27 -8.670 -1.301 24.220 1.00 50.00 N ATOM 411 CA ALA A 27 -7.966 -0.997 22.940 1.00 50.00 C ATOM 412 C ALA A 27 -8.729 0.080 22.168 1.00 50.00 C ATOM 413 O ALA A 27 -8.151 0.864 21.441 1.00 50.00 O ATOM 414 CB ALA A 27 -7.964 -2.315 22.167 1.00 50.00 C ATOM 0 H ALA A 27 -9.010 -2.258 24.312 1.00 50.00 H new ATOM 0 HA ALA A 27 -6.956 -0.620 23.099 1.00 50.00 H new ATOM 0 HB1 ALA A 27 -7.462 -2.175 21.210 1.00 50.00 H new ATOM 0 HB2 ALA A 27 -7.438 -3.075 22.745 1.00 50.00 H new ATOM 0 HB3 ALA A 27 -8.991 -2.637 21.994 1.00 50.00 H new ATOM 420 N ALA A 28 -10.023 0.129 22.324 1.00 50.00 N ATOM 421 CA ALA A 28 -10.823 1.159 21.602 1.00 50.00 C ATOM 422 C ALA A 28 -10.538 2.545 22.189 1.00 50.00 C ATOM 423 O ALA A 28 -10.805 3.558 21.574 1.00 50.00 O ATOM 424 CB ALA A 28 -12.281 0.764 21.838 1.00 50.00 C ATOM 0 H ALA A 28 -10.561 -0.500 22.920 1.00 50.00 H new ATOM 0 HA ALA A 28 -10.583 1.205 20.540 1.00 50.00 H new ATOM 0 HB1 ALA A 28 -12.937 1.476 21.337 1.00 50.00 H new ATOM 0 HB2 ALA A 28 -12.457 -0.235 21.438 1.00 50.00 H new ATOM 0 HB3 ALA A 28 -12.491 0.769 22.908 1.00 50.00 H new ATOM 430 N ASP A 29 -9.995 2.595 23.375 1.00 50.00 N ATOM 431 CA ASP A 29 -9.689 3.912 24.004 1.00 50.00 C ATOM 432 C ASP A 29 -8.181 4.170 23.970 1.00 50.00 C ATOM 433 O ASP A 29 -7.688 5.109 24.565 1.00 50.00 O ATOM 434 CB ASP A 29 -10.180 3.789 25.446 1.00 50.00 C ATOM 435 CG ASP A 29 -11.685 3.514 25.453 1.00 50.00 C ATOM 436 OD1 ASP A 29 -12.140 2.794 24.580 1.00 50.00 O ATOM 437 OD2 ASP A 29 -12.357 4.029 26.331 1.00 50.00 O ATOM 0 H ASP A 29 -9.750 1.780 23.936 1.00 50.00 H new ATOM 0 HA ASP A 29 -10.168 4.741 23.483 1.00 50.00 H new ATOM 0 HB2 ASP A 29 -9.650 2.983 25.954 1.00 50.00 H new ATOM 0 HB3 ASP A 29 -9.965 4.707 25.994 1.00 50.00 H new ATOM 442 N ALA A 30 -7.442 3.344 23.281 1.00 50.00 N ATOM 443 CA ALA A 30 -5.967 3.543 23.210 1.00 50.00 C ATOM 444 C ALA A 30 -5.571 4.054 21.823 1.00 50.00 C ATOM 445 O ALA A 30 -4.625 4.802 21.672 1.00 50.00 O ATOM 446 CB ALA A 30 -5.367 2.158 23.462 1.00 50.00 C ATOM 0 H ALA A 30 -7.796 2.539 22.764 1.00 50.00 H new ATOM 0 HA ALA A 30 -5.614 4.278 23.934 1.00 50.00 H new ATOM 0 HB1 ALA A 30 -4.279 2.221 23.426 1.00 50.00 H new ATOM 0 HB2 ALA A 30 -5.677 1.800 24.444 1.00 50.00 H new ATOM 0 HB3 ALA A 30 -5.716 1.465 22.696 1.00 50.00 H new ATOM 452 N GLY A 31 -6.290 3.657 20.810 1.00 50.00 N ATOM 453 CA GLY A 31 -5.957 4.119 19.433 1.00 50.00 C ATOM 454 C GLY A 31 -4.733 3.357 18.924 1.00 50.00 C ATOM 455 O GLY A 31 -3.720 3.940 18.591 1.00 50.00 O ATOM 0 H GLY A 31 -7.094 3.033 20.876 1.00 50.00 H new ATOM 0 HA2 GLY A 31 -6.804 3.954 18.767 1.00 50.00 H new ATOM 0 HA3 GLY A 31 -5.757 5.190 19.435 1.00 50.00 H new ATOM 459 N LEU A 32 -4.816 2.056 18.868 1.00 50.00 N ATOM 460 CA LEU A 32 -3.654 1.254 18.384 1.00 50.00 C ATOM 461 C LEU A 32 -3.745 1.043 16.870 1.00 50.00 C ATOM 462 O LEU A 32 -4.747 1.339 16.250 1.00 50.00 O ATOM 463 CB LEU A 32 -3.764 -0.082 19.119 1.00 50.00 C ATOM 464 CG LEU A 32 -2.704 -0.147 20.220 1.00 50.00 C ATOM 465 CD1 LEU A 32 -3.062 -1.259 21.209 1.00 50.00 C ATOM 466 CD2 LEU A 32 -1.338 -0.440 19.596 1.00 50.00 C ATOM 0 H LEU A 32 -5.637 1.513 19.136 1.00 50.00 H new ATOM 0 HA LEU A 32 -2.703 1.750 18.576 1.00 50.00 H new ATOM 0 HB2 LEU A 32 -4.759 -0.191 19.550 1.00 50.00 H new ATOM 0 HB3 LEU A 32 -3.628 -0.907 18.419 1.00 50.00 H new ATOM 0 HG LEU A 32 -2.667 0.808 20.745 1.00 50.00 H new ATOM 0 HD11 LEU A 32 -2.307 -1.305 21.993 1.00 50.00 H new ATOM 0 HD12 LEU A 32 -4.035 -1.051 21.654 1.00 50.00 H new ATOM 0 HD13 LEU A 32 -3.100 -2.214 20.685 1.00 50.00 H new ATOM 0 HD21 LEU A 32 -0.582 -0.486 20.380 1.00 50.00 H new ATOM 0 HD22 LEU A 32 -1.375 -1.394 19.071 1.00 50.00 H new ATOM 0 HD23 LEU A 32 -1.082 0.352 18.892 1.00 50.00 H new ATOM 478 N ASP A 33 -2.702 0.535 16.272 1.00 50.00 N ATOM 479 CA ASP A 33 -2.722 0.307 14.798 1.00 50.00 C ATOM 480 C ASP A 33 -3.847 -0.661 14.422 1.00 50.00 C ATOM 481 O ASP A 33 -4.451 -1.287 15.271 1.00 50.00 O ATOM 482 CB ASP A 33 -1.360 -0.309 14.479 1.00 50.00 C ATOM 483 CG ASP A 33 -1.228 -0.500 12.967 1.00 50.00 C ATOM 484 OD1 ASP A 33 -1.780 0.307 12.237 1.00 50.00 O ATOM 485 OD2 ASP A 33 -0.576 -1.450 12.564 1.00 50.00 O ATOM 0 H ASP A 33 -1.836 0.268 16.740 1.00 50.00 H new ATOM 0 HA ASP A 33 -2.899 1.227 14.241 1.00 50.00 H new ATOM 0 HB2 ASP A 33 -0.562 0.337 14.846 1.00 50.00 H new ATOM 0 HB3 ASP A 33 -1.254 -1.267 14.988 1.00 50.00 H new ATOM 490 N GLY A 34 -4.129 -0.789 13.154 1.00 50.00 N ATOM 491 CA GLY A 34 -5.211 -1.717 12.721 1.00 50.00 C ATOM 492 C GLY A 34 -4.629 -3.120 12.533 1.00 50.00 C ATOM 493 O GLY A 34 -5.311 -4.112 12.694 1.00 50.00 O ATOM 0 H GLY A 34 -3.657 -0.291 12.400 1.00 50.00 H new ATOM 0 HA2 GLY A 34 -6.007 -1.738 13.465 1.00 50.00 H new ATOM 0 HA3 GLY A 34 -5.655 -1.367 11.789 1.00 50.00 H new ATOM 497 N GLU A 35 -3.372 -3.210 12.197 1.00 50.00 N ATOM 498 CA GLU A 35 -2.749 -4.551 12.004 1.00 50.00 C ATOM 499 C GLU A 35 -2.440 -5.185 13.364 1.00 50.00 C ATOM 500 O GLU A 35 -2.072 -6.339 13.454 1.00 50.00 O ATOM 501 CB GLU A 35 -1.458 -4.282 11.232 1.00 50.00 C ATOM 502 CG GLU A 35 -1.645 -4.688 9.769 1.00 50.00 C ATOM 503 CD GLU A 35 -0.805 -3.773 8.874 1.00 50.00 C ATOM 504 OE1 GLU A 35 -1.314 -2.740 8.471 1.00 50.00 O ATOM 505 OE2 GLU A 35 0.334 -4.122 8.607 1.00 50.00 O ATOM 0 H GLU A 35 -2.750 -2.416 12.048 1.00 50.00 H new ATOM 0 HA GLU A 35 -3.404 -5.240 11.471 1.00 50.00 H new ATOM 0 HB2 GLU A 35 -1.196 -3.226 11.297 1.00 50.00 H new ATOM 0 HB3 GLU A 35 -0.634 -4.842 11.674 1.00 50.00 H new ATOM 0 HG2 GLU A 35 -1.346 -5.727 9.628 1.00 50.00 H new ATOM 0 HG3 GLU A 35 -2.697 -4.619 9.493 1.00 50.00 H new ATOM 512 N ASP A 36 -2.589 -4.435 14.420 1.00 50.00 N ATOM 513 CA ASP A 36 -2.306 -4.984 15.777 1.00 50.00 C ATOM 514 C ASP A 36 -3.617 -5.232 16.528 1.00 50.00 C ATOM 515 O ASP A 36 -3.820 -6.277 17.115 1.00 50.00 O ATOM 516 CB ASP A 36 -1.489 -3.896 16.475 1.00 50.00 C ATOM 517 CG ASP A 36 -0.064 -3.885 15.917 1.00 50.00 C ATOM 518 OD1 ASP A 36 0.146 -4.481 14.873 1.00 50.00 O ATOM 519 OD2 ASP A 36 0.790 -3.281 16.543 1.00 50.00 O ATOM 0 H ASP A 36 -2.896 -3.462 14.402 1.00 50.00 H new ATOM 0 HA ASP A 36 -1.775 -5.935 15.739 1.00 50.00 H new ATOM 0 HB2 ASP A 36 -1.957 -2.923 16.324 1.00 50.00 H new ATOM 0 HB3 ASP A 36 -1.468 -4.076 17.550 1.00 50.00 H new ATOM 524 N TYR A 37 -4.507 -4.278 16.516 1.00 12.50 N ATOM 525 CA TYR A 37 -5.802 -4.458 17.231 1.00 12.50 C ATOM 526 C TYR A 37 -6.971 -4.104 16.306 1.00 12.50 C ATOM 527 O TYR A 37 -6.906 -3.167 15.536 1.00 12.50 O ATOM 528 CB TYR A 37 -5.737 -3.488 18.415 1.00 12.50 C ATOM 529 CG TYR A 37 -7.133 -3.224 18.936 1.00 12.50 C ATOM 530 CD1 TYR A 37 -7.853 -4.251 19.556 1.00 50.00 C ATOM 531 CD2 TYR A 37 -7.705 -1.954 18.793 1.00 50.00 C ATOM 532 CE1 TYR A 37 -9.146 -4.008 20.035 1.00 50.00 C ATOM 533 CE2 TYR A 37 -8.998 -1.711 19.272 1.00 50.00 C ATOM 534 CZ TYR A 37 -9.719 -2.739 19.893 1.00 12.50 C ATOM 535 OH TYR A 37 -10.994 -2.501 20.364 1.00 50.00 O ATOM 0 H TYR A 37 -4.393 -3.382 16.042 1.00 12.50 H new ATOM 0 HA TYR A 37 -5.957 -5.487 17.556 1.00 12.50 H new ATOM 0 HB2 TYR A 37 -5.116 -3.907 19.207 1.00 12.50 H new ATOM 0 HB3 TYR A 37 -5.271 -2.552 18.106 1.00 12.50 H new ATOM 0 HD1 TYR A 37 -7.412 -5.231 19.665 1.00 50.00 H new ATOM 0 HD2 TYR A 37 -7.149 -1.162 18.313 1.00 50.00 H new ATOM 0 HE1 TYR A 37 -9.702 -4.800 20.514 1.00 50.00 H new ATOM 0 HE2 TYR A 37 -9.439 -0.731 19.163 1.00 50.00 H new ATOM 0 HH TYR A 37 -11.142 -3.017 21.184 1.00 50.00 H new ATOM 545 N GLY A 38 -8.043 -4.844 16.384 1.00 10.00 N ATOM 546 CA GLY A 38 -9.216 -4.543 15.516 1.00 10.00 C ATOM 547 C GLY A 38 -10.122 -5.772 15.433 1.00 10.00 C ATOM 548 O GLY A 38 -9.731 -6.869 15.778 1.00 10.00 O ATOM 0 H GLY A 38 -8.157 -5.642 17.009 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -9.771 -3.696 15.919 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -8.880 -4.259 14.519 1.00 10.00 H new ATOM 552 N THR A 39 -11.331 -5.595 14.977 1.00 10.00 N ATOM 553 CA THR A 39 -12.266 -6.751 14.870 1.00 10.00 C ATOM 554 C THR A 39 -11.992 -7.531 13.582 1.00 10.00 C ATOM 555 O THR A 39 -11.868 -6.963 12.515 1.00 10.00 O ATOM 556 CB THR A 39 -13.662 -6.130 14.833 1.00 50.00 C ATOM 557 OG1 THR A 39 -13.860 -5.342 15.998 1.00 50.00 O ATOM 558 CG2 THR A 39 -14.714 -7.239 14.777 1.00 50.00 C ATOM 0 H THR A 39 -11.713 -4.699 14.673 1.00 10.00 H new ATOM 0 HA THR A 39 -12.154 -7.452 15.698 1.00 10.00 H new ATOM 0 HB THR A 39 -13.756 -5.499 13.949 1.00 50.00 H new ATOM 0 HG1 THR A 39 -14.754 -4.942 15.974 1.00 50.00 H new ATOM 0 HG21 THR A 39 -15.709 -6.795 14.751 1.00 50.00 H new ATOM 0 HG22 THR A 39 -14.561 -7.841 13.881 1.00 50.00 H new ATOM 0 HG23 THR A 39 -14.622 -7.872 15.659 1.00 50.00 H new ATOM 566 N MET A 40 -11.895 -8.829 13.672 1.00 10.00 N ATOM 567 CA MET A 40 -11.628 -9.641 12.450 1.00 10.00 C ATOM 568 C MET A 40 -12.911 -10.332 11.981 1.00 10.00 C ATOM 569 O MET A 40 -13.628 -10.930 12.760 1.00 10.00 O ATOM 570 CB MET A 40 -10.590 -10.677 12.881 1.00 10.00 C ATOM 571 CG MET A 40 -9.531 -10.820 11.786 1.00 10.00 C ATOM 572 SD MET A 40 -10.248 -11.676 10.361 1.00 12.50 S ATOM 573 CE MET A 40 -9.449 -13.277 10.631 1.00 50.00 C ATOM 0 H MET A 40 -11.989 -9.362 14.537 1.00 10.00 H new ATOM 0 HA MET A 40 -11.275 -9.030 11.619 1.00 10.00 H new ATOM 0 HB2 MET A 40 -10.122 -10.372 13.817 1.00 10.00 H new ATOM 0 HB3 MET A 40 -11.072 -11.637 13.064 1.00 10.00 H new ATOM 0 HG2 MET A 40 -9.166 -9.837 11.488 1.00 10.00 H new ATOM 0 HG3 MET A 40 -8.674 -11.377 12.165 1.00 10.00 H new ATOM 0 HE1 MET A 40 -9.581 -13.903 9.748 1.00 50.00 H new ATOM 0 HE2 MET A 40 -8.385 -13.126 10.814 1.00 50.00 H new ATOM 0 HE3 MET A 40 -9.899 -13.767 11.494 1.00 50.00 H new ATOM 583 N GLU A 41 -13.203 -10.257 10.712 1.00 10.00 N ATOM 584 CA GLU A 41 -14.435 -10.913 10.189 1.00 10.00 C ATOM 585 C GLU A 41 -14.069 -12.222 9.485 1.00 10.00 C ATOM 586 O GLU A 41 -13.403 -12.225 8.468 1.00 10.00 O ATOM 587 CB GLU A 41 -15.025 -9.913 9.194 1.00 10.00 C ATOM 588 CG GLU A 41 -16.453 -10.329 8.836 1.00 10.00 C ATOM 589 CD GLU A 41 -17.119 -9.218 8.021 1.00 12.50 C ATOM 590 OE1 GLU A 41 -16.456 -8.663 7.160 1.00 12.50 O ATOM 591 OE2 GLU A 41 -18.280 -8.942 8.270 1.00 12.50 O ATOM 0 H GLU A 41 -12.641 -9.770 10.014 1.00 10.00 H new ATOM 0 HA GLU A 41 -15.143 -11.162 10.980 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -15.024 -8.912 9.625 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -14.410 -9.873 8.295 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -16.440 -11.257 8.264 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -17.025 -10.522 9.743 1.00 10.00 H new ATOM 598 N VAL A 42 -14.495 -13.336 10.017 1.00 10.00 N ATOM 599 CA VAL A 42 -14.162 -14.640 9.373 1.00 10.00 C ATOM 600 C VAL A 42 -15.434 -15.449 9.114 1.00 10.00 C ATOM 601 O VAL A 42 -16.004 -16.033 10.015 1.00 10.00 O ATOM 602 CB VAL A 42 -13.264 -15.363 10.379 1.00 10.00 C ATOM 603 CG1 VAL A 42 -12.596 -16.557 9.696 1.00 10.00 C ATOM 604 CG2 VAL A 42 -12.192 -14.400 10.892 1.00 10.00 C ATOM 0 H VAL A 42 -15.057 -13.400 10.866 1.00 10.00 H new ATOM 0 HA VAL A 42 -13.672 -14.506 8.409 1.00 10.00 H new ATOM 0 HB VAL A 42 -13.865 -15.714 11.218 1.00 10.00 H new ATOM 0 HG11 VAL A 42 -11.956 -17.074 10.411 1.00 10.00 H new ATOM 0 HG12 VAL A 42 -13.361 -17.243 9.332 1.00 10.00 H new ATOM 0 HG13 VAL A 42 -11.994 -16.207 8.857 1.00 10.00 H new ATOM 0 HG21 VAL A 42 -11.553 -14.916 11.609 1.00 10.00 H new ATOM 0 HG22 VAL A 42 -11.589 -14.048 10.055 1.00 10.00 H new ATOM 0 HG23 VAL A 42 -12.670 -13.549 11.378 1.00 10.00 H new ATOM 614 N ALA A 43 -15.881 -15.495 7.888 1.00 10.00 N ATOM 615 CA ALA A 43 -17.113 -16.274 7.573 1.00 10.00 C ATOM 616 C ALA A 43 -16.871 -17.763 7.840 1.00 10.00 C ATOM 617 O ALA A 43 -15.908 -18.335 7.368 1.00 10.00 O ATOM 618 CB ALA A 43 -17.367 -16.029 6.086 1.00 50.00 C ATOM 0 H ALA A 43 -15.447 -15.028 7.092 1.00 10.00 H new ATOM 0 HA ALA A 43 -17.964 -15.973 8.184 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -18.261 -16.571 5.775 1.00 50.00 H new ATOM 0 HB2 ALA A 43 -17.510 -14.963 5.912 1.00 50.00 H new ATOM 0 HB3 ALA A 43 -16.512 -16.379 5.508 1.00 50.00 H new ATOM 624 N GLU A 44 -17.731 -18.390 8.595 1.00 10.00 N ATOM 625 CA GLU A 44 -17.545 -19.841 8.892 1.00 10.00 C ATOM 626 C GLU A 44 -17.102 -20.586 7.631 1.00 10.00 C ATOM 627 O GLU A 44 -17.832 -20.682 6.664 1.00 10.00 O ATOM 628 CB GLU A 44 -18.917 -20.332 9.355 1.00 10.00 C ATOM 629 CG GLU A 44 -18.739 -21.346 10.489 1.00 10.00 C ATOM 630 CD GLU A 44 -18.718 -22.762 9.908 1.00 25.00 C ATOM 631 OE1 GLU A 44 -19.416 -22.993 8.934 1.00 25.00 O ATOM 632 OE2 GLU A 44 -18.005 -23.591 10.448 1.00 25.00 O ATOM 0 H GLU A 44 -18.554 -17.962 9.019 1.00 10.00 H new ATOM 0 HA GLU A 44 -16.778 -20.013 9.647 1.00 10.00 H new ATOM 0 HB2 GLU A 44 -19.520 -19.491 9.696 1.00 10.00 H new ATOM 0 HB3 GLU A 44 -19.451 -20.791 8.523 1.00 10.00 H new ATOM 0 HG2 GLU A 44 -17.811 -21.148 11.026 1.00 10.00 H new ATOM 0 HG3 GLU A 44 -19.551 -21.249 11.209 1.00 10.00 H new ATOM 639 N GLY A 45 -15.907 -21.106 7.633 1.00 10.00 N ATOM 640 CA GLY A 45 -15.409 -21.837 6.436 1.00 10.00 C ATOM 641 C GLY A 45 -14.306 -21.011 5.772 1.00 10.00 C ATOM 642 O GLY A 45 -13.894 -21.285 4.661 1.00 10.00 O ATOM 0 H GLY A 45 -15.253 -21.056 8.414 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -15.025 -22.815 6.725 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -16.225 -22.010 5.734 1.00 10.00 H new ATOM 646 N GLU A 46 -13.826 -20.000 6.443 1.00 10.00 N ATOM 647 CA GLU A 46 -12.750 -19.153 5.851 1.00 10.00 C ATOM 648 C GLU A 46 -11.499 -19.187 6.732 1.00 10.00 C ATOM 649 O GLU A 46 -11.484 -18.659 7.826 1.00 10.00 O ATOM 650 CB GLU A 46 -13.336 -17.741 5.810 1.00 10.00 C ATOM 651 CG GLU A 46 -14.006 -17.505 4.455 1.00 10.00 C ATOM 652 CD GLU A 46 -13.561 -16.154 3.890 1.00 10.00 C ATOM 653 OE1 GLU A 46 -12.610 -15.598 4.413 1.00 10.00 O ATOM 654 OE2 GLU A 46 -14.180 -15.698 2.943 1.00 10.00 O ATOM 0 H GLU A 46 -14.132 -19.723 7.376 1.00 10.00 H new ATOM 0 HA GLU A 46 -12.450 -19.501 4.863 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -14.062 -17.614 6.613 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -12.549 -17.004 5.972 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -13.742 -18.305 3.763 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -15.090 -17.525 4.566 1.00 10.00 H new ATOM 661 N TYR A 47 -10.447 -19.800 6.263 1.00 10.00 N ATOM 662 CA TYR A 47 -9.198 -19.862 7.075 1.00 10.00 C ATOM 663 C TYR A 47 -8.907 -18.491 7.692 1.00 10.00 C ATOM 664 O TYR A 47 -8.836 -17.494 7.004 1.00 10.00 O ATOM 665 CB TYR A 47 -8.100 -20.249 6.083 1.00 10.00 C ATOM 666 CG TYR A 47 -8.082 -21.750 5.900 1.00 10.00 C ATOM 667 CD1 TYR A 47 -9.222 -22.511 6.194 1.00 10.00 C ATOM 668 CD2 TYR A 47 -6.921 -22.381 5.436 1.00 10.00 C ATOM 669 CE1 TYR A 47 -9.200 -23.900 6.022 1.00 10.00 C ATOM 670 CE2 TYR A 47 -6.901 -23.770 5.265 1.00 10.00 C ATOM 671 CZ TYR A 47 -8.039 -24.529 5.558 1.00 10.00 C ATOM 672 OH TYR A 47 -8.018 -25.899 5.389 1.00 10.00 O ATOM 0 H TYR A 47 -10.398 -20.260 5.354 1.00 10.00 H new ATOM 0 HA TYR A 47 -9.271 -20.574 7.897 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -8.273 -19.759 5.125 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -7.131 -19.906 6.446 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -10.117 -22.026 6.553 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -6.042 -21.796 5.210 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -10.079 -24.486 6.247 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -6.006 -24.256 4.906 1.00 10.00 H new ATOM 0 HH TYR A 47 -7.137 -26.174 5.060 1.00 10.00 H new ATOM 682 N ILE A 48 -8.742 -18.436 8.987 1.00 10.00 N ATOM 683 CA ILE A 48 -8.458 -17.131 9.653 1.00 10.00 C ATOM 684 C ILE A 48 -7.466 -16.313 8.818 1.00 10.00 C ATOM 685 O ILE A 48 -7.750 -15.204 8.412 1.00 10.00 O ATOM 686 CB ILE A 48 -7.850 -17.504 11.007 1.00 10.00 C ATOM 687 CG1 ILE A 48 -8.966 -17.927 11.966 1.00 10.00 C ATOM 688 CG2 ILE A 48 -7.110 -16.297 11.590 1.00 10.00 C ATOM 689 CD1 ILE A 48 -8.401 -18.056 13.383 1.00 10.00 C ATOM 0 H ILE A 48 -8.792 -19.240 9.613 1.00 10.00 H new ATOM 0 HA ILE A 48 -9.353 -16.519 9.764 1.00 10.00 H new ATOM 0 HB ILE A 48 -7.149 -18.328 10.874 1.00 10.00 H new ATOM 0 HG12 ILE A 48 -9.771 -17.193 11.950 1.00 10.00 H new ATOM 0 HG13 ILE A 48 -9.394 -18.877 11.646 1.00 10.00 H new ATOM 0 HG21 ILE A 48 -6.678 -16.566 12.554 1.00 10.00 H new ATOM 0 HG22 ILE A 48 -6.315 -15.993 10.908 1.00 10.00 H new ATOM 0 HG23 ILE A 48 -7.809 -15.471 11.723 1.00 10.00 H new ATOM 0 HD11 ILE A 48 -9.196 -18.357 14.066 1.00 10.00 H new ATOM 0 HD12 ILE A 48 -7.611 -18.807 13.393 1.00 10.00 H new ATOM 0 HD13 ILE A 48 -7.994 -17.096 13.701 1.00 10.00 H new ATOM 701 N LEU A 49 -6.308 -16.852 8.558 1.00 10.00 N ATOM 702 CA LEU A 49 -5.306 -16.103 7.747 1.00 10.00 C ATOM 703 C LEU A 49 -5.959 -15.579 6.465 1.00 10.00 C ATOM 704 O LEU A 49 -5.619 -14.523 5.970 1.00 10.00 O ATOM 705 CB LEU A 49 -4.215 -17.126 7.423 1.00 10.00 C ATOM 706 CG LEU A 49 -3.382 -16.635 6.236 1.00 10.00 C ATOM 707 CD1 LEU A 49 -2.880 -15.217 6.515 1.00 10.00 C ATOM 708 CD2 LEU A 49 -2.187 -17.568 6.031 1.00 10.00 C ATOM 0 H LEU A 49 -6.012 -17.777 8.871 1.00 10.00 H new ATOM 0 HA LEU A 49 -4.903 -15.238 8.274 1.00 10.00 H new ATOM 0 HB2 LEU A 49 -3.574 -17.276 8.292 1.00 10.00 H new ATOM 0 HB3 LEU A 49 -4.666 -18.091 7.189 1.00 10.00 H new ATOM 0 HG LEU A 49 -3.999 -16.631 5.337 1.00 10.00 H new ATOM 0 HD11 LEU A 49 -2.287 -14.868 5.670 1.00 10.00 H new ATOM 0 HD12 LEU A 49 -3.731 -14.552 6.660 1.00 10.00 H new ATOM 0 HD13 LEU A 49 -2.264 -15.220 7.414 1.00 10.00 H new ATOM 0 HD21 LEU A 49 -1.594 -17.219 5.186 1.00 10.00 H new ATOM 0 HD22 LEU A 49 -1.571 -17.573 6.930 1.00 10.00 H new ATOM 0 HD23 LEU A 49 -2.544 -18.578 5.831 1.00 10.00 H new ATOM 720 N GLU A 50 -6.895 -16.310 5.925 1.00 10.00 N ATOM 721 CA GLU A 50 -7.570 -15.857 4.676 1.00 10.00 C ATOM 722 C GLU A 50 -8.615 -14.785 4.997 1.00 10.00 C ATOM 723 O GLU A 50 -8.635 -13.726 4.401 1.00 10.00 O ATOM 724 CB GLU A 50 -8.245 -17.108 4.116 1.00 10.00 C ATOM 725 CG GLU A 50 -8.982 -16.755 2.823 1.00 10.00 C ATOM 726 CD GLU A 50 -8.826 -17.898 1.817 1.00 50.00 C ATOM 727 OE1 GLU A 50 -8.857 -19.041 2.241 1.00 50.00 O ATOM 728 OE2 GLU A 50 -8.678 -17.609 0.641 1.00 50.00 O ATOM 0 H GLU A 50 -7.222 -17.202 6.295 1.00 10.00 H new ATOM 0 HA GLU A 50 -6.870 -15.416 3.966 1.00 10.00 H new ATOM 0 HB2 GLU A 50 -7.500 -17.880 3.923 1.00 10.00 H new ATOM 0 HB3 GLU A 50 -8.945 -17.515 4.846 1.00 10.00 H new ATOM 0 HG2 GLU A 50 -10.038 -16.580 3.030 1.00 10.00 H new ATOM 0 HG3 GLU A 50 -8.582 -15.831 2.405 1.00 10.00 H new ATOM 735 N ALA A 51 -9.484 -15.052 5.932 1.00 10.00 N ATOM 736 CA ALA A 51 -10.528 -14.050 6.289 1.00 10.00 C ATOM 737 C ALA A 51 -9.892 -12.681 6.511 1.00 10.00 C ATOM 738 O ALA A 51 -10.348 -11.679 5.997 1.00 10.00 O ATOM 739 CB ALA A 51 -11.152 -14.569 7.585 1.00 12.50 C ATOM 0 H ALA A 51 -9.517 -15.921 6.465 1.00 10.00 H new ATOM 0 HA ALA A 51 -11.271 -13.930 5.500 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -11.933 -13.883 7.913 1.00 12.50 H new ATOM 0 HB2 ALA A 51 -11.584 -15.554 7.411 1.00 12.50 H new ATOM 0 HB3 ALA A 51 -10.384 -14.640 8.355 1.00 12.50 H new ATOM 745 N ALA A 52 -8.841 -12.633 7.273 1.00 10.00 N ATOM 746 CA ALA A 52 -8.167 -11.329 7.533 1.00 10.00 C ATOM 747 C ALA A 52 -7.310 -10.932 6.330 1.00 10.00 C ATOM 748 O ALA A 52 -7.184 -9.770 6.001 1.00 10.00 O ATOM 749 CB ALA A 52 -7.294 -11.564 8.765 1.00 10.00 C ATOM 0 H ALA A 52 -8.416 -13.440 7.730 1.00 10.00 H new ATOM 0 HA ALA A 52 -8.881 -10.521 7.696 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -6.765 -10.645 9.017 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -7.922 -11.863 9.604 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -6.571 -12.352 8.554 1.00 10.00 H new ATOM 755 N GLU A 53 -6.730 -11.892 5.667 1.00 10.00 N ATOM 756 CA GLU A 53 -5.890 -11.573 4.478 1.00 10.00 C ATOM 757 C GLU A 53 -6.735 -10.846 3.431 1.00 10.00 C ATOM 758 O GLU A 53 -6.255 -10.000 2.704 1.00 10.00 O ATOM 759 CB GLU A 53 -5.422 -12.928 3.947 1.00 10.00 C ATOM 760 CG GLU A 53 -4.905 -12.767 2.516 1.00 10.00 C ATOM 761 CD GLU A 53 -4.016 -13.959 2.158 1.00 10.00 C ATOM 762 OE1 GLU A 53 -2.912 -14.025 2.673 1.00 10.00 O ATOM 763 OE2 GLU A 53 -4.456 -14.787 1.378 1.00 10.00 O ATOM 0 H GLU A 53 -6.801 -12.883 5.896 1.00 10.00 H new ATOM 0 HA GLU A 53 -5.049 -10.924 4.721 1.00 10.00 H new ATOM 0 HB2 GLU A 53 -4.635 -13.328 4.586 1.00 10.00 H new ATOM 0 HB3 GLU A 53 -6.245 -13.643 3.969 1.00 10.00 H new ATOM 0 HG2 GLU A 53 -5.742 -12.702 1.821 1.00 10.00 H new ATOM 0 HG3 GLU A 53 -4.341 -11.839 2.424 1.00 10.00 H new ATOM 770 N ALA A 54 -7.995 -11.171 3.358 1.00 10.00 N ATOM 771 CA ALA A 54 -8.886 -10.502 2.369 1.00 10.00 C ATOM 772 C ALA A 54 -9.320 -9.132 2.897 1.00 10.00 C ATOM 773 O ALA A 54 -10.086 -8.429 2.268 1.00 10.00 O ATOM 774 CB ALA A 54 -10.092 -11.432 2.233 1.00 50.00 C ATOM 0 H ALA A 54 -8.448 -11.873 3.943 1.00 10.00 H new ATOM 0 HA ALA A 54 -8.393 -10.333 1.412 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -10.799 -11.009 1.519 1.00 50.00 H new ATOM 0 HB2 ALA A 54 -9.760 -12.409 1.880 1.00 50.00 H new ATOM 0 HB3 ALA A 54 -10.578 -11.542 3.203 1.00 50.00 H new ATOM 780 N GLN A 55 -8.838 -8.750 4.049 1.00 10.00 N ATOM 781 CA GLN A 55 -9.226 -7.427 4.618 1.00 10.00 C ATOM 782 C GLN A 55 -8.004 -6.507 4.703 1.00 10.00 C ATOM 783 O GLN A 55 -8.096 -5.316 4.487 1.00 10.00 O ATOM 784 CB GLN A 55 -9.761 -7.742 6.016 1.00 10.00 C ATOM 785 CG GLN A 55 -11.222 -8.184 5.916 1.00 10.00 C ATOM 786 CD GLN A 55 -11.990 -7.690 7.144 1.00 10.00 C ATOM 787 OE1 GLN A 55 -12.168 -6.503 7.327 1.00 10.00 O ATOM 788 NE2 GLN A 55 -12.455 -8.559 8.002 1.00 10.00 N ATOM 0 H GLN A 55 -8.193 -9.296 4.620 1.00 10.00 H new ATOM 0 HA GLN A 55 -9.965 -6.913 4.004 1.00 10.00 H new ATOM 0 HB2 GLN A 55 -9.163 -8.528 6.477 1.00 10.00 H new ATOM 0 HB3 GLN A 55 -9.679 -6.863 6.655 1.00 10.00 H new ATOM 0 HG2 GLN A 55 -11.672 -7.785 5.007 1.00 10.00 H new ATOM 0 HG3 GLN A 55 -11.281 -9.270 5.850 1.00 10.00 H new ATOM 0 HE21 GLN A 55 -12.306 -9.556 7.849 1.00 10.00 H new ATOM 0 HE22 GLN A 55 -12.967 -8.240 8.824 1.00 10.00 H new ATOM 797 N GLY A 56 -6.858 -7.052 5.014 1.00 10.00 N ATOM 798 CA GLY A 56 -5.634 -6.206 5.106 1.00 10.00 C ATOM 799 C GLY A 56 -4.834 -6.579 6.358 1.00 10.00 C ATOM 800 O GLY A 56 -4.196 -5.743 6.968 1.00 10.00 O ATOM 0 H GLY A 56 -6.717 -8.044 5.208 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -5.019 -6.343 4.217 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -5.912 -5.153 5.142 1.00 10.00 H new ATOM 804 N TYR A 57 -4.854 -7.825 6.745 1.00 10.00 N ATOM 805 CA TYR A 57 -4.087 -8.241 7.954 1.00 10.00 C ATOM 806 C TYR A 57 -2.927 -9.153 7.549 1.00 10.00 C ATOM 807 O TYR A 57 -3.045 -9.964 6.653 1.00 10.00 O ATOM 808 CB TYR A 57 -5.090 -9.002 8.820 1.00 10.00 C ATOM 809 CG TYR A 57 -6.173 -8.061 9.289 1.00 10.00 C ATOM 810 CD1 TYR A 57 -5.838 -6.914 10.018 1.00 10.00 C ATOM 811 CD2 TYR A 57 -7.513 -8.339 8.998 1.00 10.00 C ATOM 812 CE1 TYR A 57 -6.846 -6.045 10.454 1.00 12.50 C ATOM 813 CE2 TYR A 57 -8.519 -7.472 9.433 1.00 12.50 C ATOM 814 CZ TYR A 57 -8.186 -6.324 10.161 1.00 12.50 C ATOM 815 OH TYR A 57 -9.179 -5.468 10.593 1.00 12.50 O ATOM 0 H TYR A 57 -5.367 -8.572 6.277 1.00 10.00 H new ATOM 0 HA TYR A 57 -3.657 -7.391 8.484 1.00 10.00 H new ATOM 0 HB2 TYR A 57 -5.528 -9.822 8.251 1.00 10.00 H new ATOM 0 HB3 TYR A 57 -4.583 -9.445 9.677 1.00 10.00 H new ATOM 0 HD1 TYR A 57 -4.804 -6.700 10.244 1.00 10.00 H new ATOM 0 HD2 TYR A 57 -7.770 -9.225 8.436 1.00 10.00 H new ATOM 0 HE1 TYR A 57 -6.589 -5.159 11.016 1.00 12.50 H new ATOM 0 HE2 TYR A 57 -9.553 -7.688 9.208 1.00 12.50 H new ATOM 0 HH TYR A 57 -8.894 -5.028 11.421 1.00 12.50 H new ATOM 825 N ASP A 58 -1.804 -9.024 8.200 1.00 10.00 N ATOM 826 CA ASP A 58 -0.636 -9.883 7.849 1.00 10.00 C ATOM 827 C ASP A 58 -0.310 -10.832 9.005 1.00 10.00 C ATOM 828 O ASP A 58 -0.272 -10.438 10.154 1.00 10.00 O ATOM 829 CB ASP A 58 0.511 -8.903 7.612 1.00 10.00 C ATOM 830 CG ASP A 58 0.161 -7.989 6.436 1.00 10.00 C ATOM 831 OD1 ASP A 58 -0.729 -7.170 6.594 1.00 10.00 O ATOM 832 OD2 ASP A 58 0.787 -8.125 5.398 1.00 10.00 O ATOM 0 H ASP A 58 -1.644 -8.362 8.959 1.00 10.00 H new ATOM 0 HA ASP A 58 -0.825 -10.508 6.976 1.00 10.00 H new ATOM 0 HB2 ASP A 58 0.688 -8.309 8.509 1.00 10.00 H new ATOM 0 HB3 ASP A 58 1.432 -9.447 7.403 1.00 10.00 H new ATOM 837 N TRP A 59 -0.078 -12.083 8.710 1.00 10.00 N ATOM 838 CA TRP A 59 0.242 -13.057 9.794 1.00 10.00 C ATOM 839 C TRP A 59 1.511 -13.836 9.446 1.00 10.00 C ATOM 840 O TRP A 59 1.849 -13.989 8.289 1.00 10.00 O ATOM 841 CB TRP A 59 -0.961 -14.003 9.848 1.00 10.00 C ATOM 842 CG TRP A 59 -2.222 -13.206 9.917 1.00 10.00 C ATOM 843 CD1 TRP A 59 -2.699 -12.421 8.925 1.00 10.00 C ATOM 844 CD2 TRP A 59 -3.176 -13.102 11.014 1.00 10.00 C ATOM 845 NE1 TRP A 59 -3.879 -11.839 9.343 1.00 50.00 N ATOM 846 CE2 TRP A 59 -4.215 -12.228 10.624 1.00 50.00 C ATOM 847 CE3 TRP A 59 -3.238 -13.675 12.297 1.00 50.00 C ATOM 848 CZ2 TRP A 59 -5.280 -11.930 11.475 1.00 50.00 C ATOM 849 CZ3 TRP A 59 -4.309 -13.379 13.157 1.00 50.00 C ATOM 850 CH2 TRP A 59 -5.327 -12.507 12.746 1.00 50.00 C ATOM 0 H TRP A 59 -0.096 -12.472 7.767 1.00 10.00 H new ATOM 0 HA TRP A 59 0.419 -12.564 10.750 1.00 10.00 H new ATOM 0 HB2 TRP A 59 -0.972 -14.644 8.967 1.00 10.00 H new ATOM 0 HB3 TRP A 59 -0.884 -14.657 10.717 1.00 10.00 H new ATOM 0 HD1 TRP A 59 -2.233 -12.273 7.962 1.00 10.00 H new ATOM 0 HE1 TRP A 59 -4.435 -11.200 8.775 1.00 50.00 H new ATOM 0 HE3 TRP A 59 -2.458 -14.347 12.623 1.00 50.00 H new ATOM 0 HZ2 TRP A 59 -6.062 -11.258 11.153 1.00 50.00 H new ATOM 0 HZ3 TRP A 59 -4.348 -13.825 14.140 1.00 50.00 H new ATOM 0 HH2 TRP A 59 -6.147 -12.282 13.412 1.00 50.00 H new ATOM 861 N PRO A 60 2.168 -14.309 10.468 1.00 10.00 N ATOM 862 CA PRO A 60 3.411 -15.090 10.273 1.00 10.00 C ATOM 863 C PRO A 60 3.078 -16.473 9.711 1.00 10.00 C ATOM 864 O PRO A 60 2.145 -17.121 10.143 1.00 10.00 O ATOM 865 CB PRO A 60 3.992 -15.196 11.681 1.00 10.00 C ATOM 866 CG PRO A 60 2.818 -15.041 12.596 1.00 10.00 C ATOM 867 CD PRO A 60 1.819 -14.164 11.886 1.00 10.00 C ATOM 0 HA PRO A 60 4.105 -14.632 9.569 1.00 10.00 H new ATOM 0 HB2 PRO A 60 4.487 -16.155 11.833 1.00 10.00 H new ATOM 0 HB3 PRO A 60 4.737 -14.421 11.860 1.00 10.00 H new ATOM 0 HG2 PRO A 60 2.381 -16.012 12.831 1.00 10.00 H new ATOM 0 HG3 PRO A 60 3.122 -14.592 13.541 1.00 10.00 H new ATOM 0 HD2 PRO A 60 0.796 -14.485 12.081 1.00 10.00 H new ATOM 0 HD3 PRO A 60 1.895 -13.127 12.212 1.00 10.00 H new ATOM 875 N PHE A 61 3.826 -16.931 8.746 1.00 10.00 N ATOM 876 CA PHE A 61 3.543 -18.271 8.157 1.00 10.00 C ATOM 877 C PHE A 61 4.786 -18.815 7.452 1.00 10.00 C ATOM 878 O PHE A 61 5.607 -18.070 6.954 1.00 10.00 O ATOM 879 CB PHE A 61 2.420 -18.032 7.149 1.00 10.00 C ATOM 880 CG PHE A 61 2.905 -17.092 6.070 1.00 10.00 C ATOM 881 CD1 PHE A 61 3.831 -17.537 5.118 1.00 10.00 C ATOM 882 CD2 PHE A 61 2.430 -15.777 6.024 1.00 10.00 C ATOM 883 CE1 PHE A 61 4.280 -16.666 4.119 1.00 10.00 C ATOM 884 CE2 PHE A 61 2.879 -14.907 5.024 1.00 10.00 C ATOM 885 CZ PHE A 61 3.804 -15.350 4.072 1.00 10.00 C ATOM 0 H PHE A 61 4.620 -16.437 8.340 1.00 10.00 H new ATOM 0 HA PHE A 61 3.263 -19.002 8.916 1.00 10.00 H new ATOM 0 HB2 PHE A 61 2.105 -18.978 6.708 1.00 10.00 H new ATOM 0 HB3 PHE A 61 1.550 -17.609 7.651 1.00 10.00 H new ATOM 0 HD1 PHE A 61 4.198 -18.552 5.155 1.00 10.00 H new ATOM 0 HD2 PHE A 61 1.718 -15.434 6.759 1.00 10.00 H new ATOM 0 HE1 PHE A 61 4.994 -17.009 3.384 1.00 10.00 H new ATOM 0 HE2 PHE A 61 2.511 -13.892 4.987 1.00 10.00 H new ATOM 0 HZ PHE A 61 4.151 -14.677 3.301 1.00 10.00 H new ATOM 895 N SER A 62 4.932 -20.109 7.409 1.00 10.00 N ATOM 896 CA SER A 62 6.121 -20.703 6.738 1.00 10.00 C ATOM 897 C SER A 62 5.733 -22.004 6.033 1.00 10.00 C ATOM 898 O SER A 62 5.904 -22.150 4.839 1.00 10.00 O ATOM 899 CB SER A 62 7.115 -20.980 7.866 1.00 10.00 C ATOM 900 OG SER A 62 7.011 -19.961 8.850 1.00 10.00 O ATOM 0 H SER A 62 4.279 -20.782 7.810 1.00 10.00 H new ATOM 0 HA SER A 62 6.540 -20.043 5.979 1.00 10.00 H new ATOM 0 HB2 SER A 62 6.913 -21.954 8.313 1.00 10.00 H new ATOM 0 HB3 SER A 62 8.130 -21.016 7.470 1.00 10.00 H new ATOM 0 HG SER A 62 7.906 -19.725 9.173 1.00 10.00 H new ATOM 906 N CYS A 63 5.221 -22.953 6.766 1.00 10.00 N ATOM 907 CA CYS A 63 4.831 -24.250 6.142 1.00 10.00 C ATOM 908 C CYS A 63 3.501 -24.106 5.372 1.00 10.00 C ATOM 909 O CYS A 63 3.345 -24.636 4.290 1.00 10.00 O ATOM 910 CB CYS A 63 4.744 -25.231 7.325 1.00 10.00 C ATOM 911 SG CYS A 63 3.079 -25.262 8.035 1.00 10.00 S ATOM 0 H CYS A 63 5.055 -22.887 7.770 1.00 10.00 H new ATOM 0 HA CYS A 63 5.543 -24.603 5.396 1.00 10.00 H new ATOM 0 HB2 CYS A 63 5.018 -26.232 6.991 1.00 10.00 H new ATOM 0 HB3 CYS A 63 5.463 -24.943 8.092 1.00 10.00 H new ATOM 0 HG CYS A 63 3.093 -24.685 9.200 1.00 10.00 H new ATOM 916 N ARG A 64 2.558 -23.369 5.903 1.00 10.00 N ATOM 917 CA ARG A 64 1.255 -23.162 5.182 1.00 10.00 C ATOM 918 C ARG A 64 0.505 -24.485 4.946 1.00 10.00 C ATOM 919 O ARG A 64 -0.250 -24.617 4.003 1.00 10.00 O ATOM 920 CB ARG A 64 1.653 -22.538 3.843 1.00 10.00 C ATOM 921 CG ARG A 64 0.983 -21.170 3.695 1.00 10.00 C ATOM 922 CD ARG A 64 2.003 -20.160 3.164 1.00 10.00 C ATOM 923 NE ARG A 64 1.959 -20.313 1.682 1.00 10.00 N ATOM 924 CZ ARG A 64 2.362 -19.340 0.911 1.00 10.00 C ATOM 925 NH1 ARG A 64 2.851 -18.246 1.433 1.00 10.00 N ATOM 926 NH2 ARG A 64 2.276 -19.459 -0.386 1.00 10.00 N ATOM 0 H ARG A 64 2.630 -22.899 6.806 1.00 10.00 H new ATOM 0 HA ARG A 64 0.577 -22.537 5.764 1.00 10.00 H new ATOM 0 HB2 ARG A 64 2.736 -22.432 3.788 1.00 10.00 H new ATOM 0 HB3 ARG A 64 1.355 -23.191 3.023 1.00 10.00 H new ATOM 0 HG2 ARG A 64 0.135 -21.240 3.014 1.00 10.00 H new ATOM 0 HG3 ARG A 64 0.593 -20.838 4.657 1.00 10.00 H new ATOM 0 HD2 ARG A 64 1.746 -19.144 3.464 1.00 10.00 H new ATOM 0 HD3 ARG A 64 3.001 -20.364 3.553 1.00 10.00 H new ATOM 0 HE ARG A 64 1.613 -21.180 1.270 1.00 10.00 H new ATOM 0 HH11 ARG A 64 2.919 -18.150 2.446 1.00 10.00 H new ATOM 0 HH12 ARG A 64 3.165 -17.488 0.827 1.00 10.00 H new ATOM 0 HH21 ARG A 64 1.894 -20.312 -0.796 1.00 10.00 H new ATOM 0 HH22 ARG A 64 2.591 -18.699 -0.990 1.00 10.00 H new ATOM 940 N ALA A 65 0.696 -25.452 5.794 1.00 10.00 N ATOM 941 CA ALA A 65 -0.011 -26.755 5.628 1.00 10.00 C ATOM 942 C ALA A 65 -0.499 -27.276 6.988 1.00 10.00 C ATOM 943 O ALA A 65 -1.066 -28.348 7.081 1.00 10.00 O ATOM 944 CB ALA A 65 1.035 -27.700 5.035 1.00 10.00 C ATOM 0 H ALA A 65 1.316 -25.398 6.602 1.00 10.00 H new ATOM 0 HA ALA A 65 -0.891 -26.667 4.990 1.00 10.00 H new ATOM 0 HB1 ALA A 65 0.591 -28.684 4.882 1.00 10.00 H new ATOM 0 HB2 ALA A 65 1.381 -27.306 4.080 1.00 10.00 H new ATOM 0 HB3 ALA A 65 1.879 -27.785 5.720 1.00 10.00 H new ATOM 950 N GLY A 66 -0.292 -26.530 8.044 1.00 10.00 N ATOM 951 CA GLY A 66 -0.755 -26.993 9.387 1.00 10.00 C ATOM 952 C GLY A 66 0.255 -27.986 9.978 1.00 10.00 C ATOM 953 O GLY A 66 -0.116 -28.962 10.599 1.00 10.00 O ATOM 0 H GLY A 66 0.176 -25.624 8.034 1.00 10.00 H new ATOM 0 HA2 GLY A 66 -0.871 -26.139 10.055 1.00 10.00 H new ATOM 0 HA3 GLY A 66 -1.733 -27.465 9.300 1.00 10.00 H new ATOM 957 N ALA A 67 1.527 -27.753 9.785 1.00 10.00 N ATOM 958 CA ALA A 67 2.550 -28.695 10.332 1.00 10.00 C ATOM 959 C ALA A 67 3.625 -27.949 11.137 1.00 10.00 C ATOM 960 O ALA A 67 4.642 -28.513 11.491 1.00 10.00 O ATOM 961 CB ALA A 67 3.172 -29.355 9.101 1.00 10.00 C ATOM 0 H ALA A 67 1.902 -26.954 9.274 1.00 10.00 H new ATOM 0 HA ALA A 67 2.104 -29.418 11.015 1.00 10.00 H new ATOM 0 HB1 ALA A 67 3.937 -30.065 9.416 1.00 10.00 H new ATOM 0 HB2 ALA A 67 2.399 -29.880 8.540 1.00 10.00 H new ATOM 0 HB3 ALA A 67 3.624 -28.591 8.468 1.00 10.00 H new ATOM 967 N CYS A 68 3.416 -26.694 11.437 1.00 10.00 N ATOM 968 CA CYS A 68 4.438 -25.941 12.228 1.00 10.00 C ATOM 969 C CYS A 68 3.751 -24.925 13.156 1.00 10.00 C ATOM 970 O CYS A 68 2.541 -24.828 13.193 1.00 10.00 O ATOM 971 CB CYS A 68 5.344 -25.262 11.181 1.00 10.00 C ATOM 972 SG CYS A 68 4.740 -23.606 10.754 1.00 10.00 S ATOM 0 H CYS A 68 2.589 -26.160 11.172 1.00 10.00 H new ATOM 0 HA CYS A 68 5.024 -26.587 12.881 1.00 10.00 H new ATOM 0 HB2 CYS A 68 6.360 -25.191 11.569 1.00 10.00 H new ATOM 0 HB3 CYS A 68 5.388 -25.877 10.282 1.00 10.00 H new ATOM 0 HG CYS A 68 5.531 -23.070 9.873 1.00 10.00 H new ATOM 977 N ALA A 69 4.510 -24.178 13.916 1.00 10.00 N ATOM 978 CA ALA A 69 3.886 -23.190 14.848 1.00 10.00 C ATOM 979 C ALA A 69 4.342 -21.761 14.527 1.00 10.00 C ATOM 980 O ALA A 69 4.105 -20.842 15.286 1.00 10.00 O ATOM 981 CB ALA A 69 4.367 -23.603 16.240 1.00 25.00 C ATOM 0 H ALA A 69 5.529 -24.208 13.932 1.00 10.00 H new ATOM 0 HA ALA A 69 2.799 -23.191 14.766 1.00 10.00 H new ATOM 0 HB1 ALA A 69 3.951 -22.924 16.985 1.00 25.00 H new ATOM 0 HB2 ALA A 69 4.037 -24.620 16.452 1.00 25.00 H new ATOM 0 HB3 ALA A 69 5.456 -23.559 16.277 1.00 25.00 H new ATOM 987 N ASN A 70 4.989 -21.565 13.413 1.00 10.00 N ATOM 988 CA ASN A 70 5.451 -20.193 13.052 1.00 10.00 C ATOM 989 C ASN A 70 4.258 -19.233 13.006 1.00 10.00 C ATOM 990 O ASN A 70 4.346 -18.098 13.429 1.00 10.00 O ATOM 991 CB ASN A 70 6.073 -20.339 11.662 1.00 50.00 C ATOM 992 CG ASN A 70 7.552 -20.704 11.801 1.00 50.00 C ATOM 993 OD1 ASN A 70 8.412 -19.850 11.714 1.00 50.00 O ATOM 994 ND2 ASN A 70 7.886 -21.947 12.017 1.00 50.00 N ATOM 0 H ASN A 70 5.218 -22.293 12.737 1.00 10.00 H new ATOM 0 HA ASN A 70 6.159 -19.790 13.776 1.00 10.00 H new ATOM 0 HB2 ASN A 70 5.549 -21.109 11.096 1.00 50.00 H new ATOM 0 HB3 ASN A 70 5.968 -19.408 11.105 1.00 50.00 H new ATOM 0 HD21 ASN A 70 8.869 -22.202 12.113 1.00 50.00 H new ATOM 0 HD22 ASN A 70 7.164 -22.664 12.090 1.00 50.00 H new ATOM 1001 N CYS A 71 3.142 -19.685 12.503 1.00 10.00 N ATOM 1002 CA CYS A 71 1.941 -18.803 12.438 1.00 10.00 C ATOM 1003 C CYS A 71 1.157 -18.897 13.751 1.00 10.00 C ATOM 1004 O CYS A 71 0.024 -18.469 13.846 1.00 10.00 O ATOM 1005 CB CYS A 71 1.112 -19.354 11.272 1.00 10.00 C ATOM 1006 SG CYS A 71 0.361 -20.931 11.753 1.00 10.00 S ATOM 0 H CYS A 71 3.009 -20.627 12.134 1.00 10.00 H new ATOM 0 HA CYS A 71 2.197 -17.754 12.293 1.00 10.00 H new ATOM 0 HB2 CYS A 71 0.337 -18.640 10.994 1.00 10.00 H new ATOM 0 HB3 CYS A 71 1.745 -19.493 10.396 1.00 10.00 H new ATOM 0 HG CYS A 71 -0.202 -21.478 10.716 1.00 10.00 H new ATOM 1011 N ALA A 72 1.754 -19.470 14.758 1.00 10.00 N ATOM 1012 CA ALA A 72 1.057 -19.617 16.069 1.00 10.00 C ATOM 1013 C ALA A 72 0.332 -18.325 16.464 1.00 10.00 C ATOM 1014 O ALA A 72 0.695 -17.239 16.053 1.00 10.00 O ATOM 1015 CB ALA A 72 2.169 -19.934 17.069 1.00 10.00 C ATOM 0 H ALA A 72 2.702 -19.846 14.730 1.00 10.00 H new ATOM 0 HA ALA A 72 0.293 -20.394 16.034 1.00 10.00 H new ATOM 0 HB1 ALA A 72 1.740 -20.058 18.063 1.00 10.00 H new ATOM 0 HB2 ALA A 72 2.672 -20.855 16.774 1.00 10.00 H new ATOM 0 HB3 ALA A 72 2.889 -19.116 17.084 1.00 10.00 H new ATOM 1021 N SER A 73 -0.690 -18.446 17.268 1.00 10.00 N ATOM 1022 CA SER A 73 -1.456 -17.246 17.715 1.00 10.00 C ATOM 1023 C SER A 73 -1.757 -17.358 19.210 1.00 10.00 C ATOM 1024 O SER A 73 -1.140 -18.127 19.918 1.00 10.00 O ATOM 1025 CB SER A 73 -2.751 -17.281 16.903 1.00 50.00 C ATOM 1026 OG SER A 73 -3.543 -18.383 17.324 1.00 50.00 O ATOM 0 H SER A 73 -1.030 -19.334 17.638 1.00 10.00 H new ATOM 0 HA SER A 73 -0.908 -16.316 17.563 1.00 10.00 H new ATOM 0 HB2 SER A 73 -3.303 -16.350 17.037 1.00 50.00 H new ATOM 0 HB3 SER A 73 -2.525 -17.367 15.840 1.00 50.00 H new ATOM 0 HG SER A 73 -3.960 -18.804 16.543 1.00 50.00 H new ATOM 1032 N ILE A 74 -2.698 -16.603 19.694 1.00 10.00 N ATOM 1033 CA ILE A 74 -3.040 -16.677 21.142 1.00 10.00 C ATOM 1034 C ILE A 74 -4.534 -16.411 21.337 1.00 10.00 C ATOM 1035 O ILE A 74 -4.939 -15.337 21.736 1.00 10.00 O ATOM 1036 CB ILE A 74 -2.197 -15.589 21.808 1.00 10.00 C ATOM 1037 CG1 ILE A 74 -0.751 -16.071 21.929 1.00 10.00 C ATOM 1038 CG2 ILE A 74 -2.754 -15.294 23.203 1.00 50.00 C ATOM 1039 CD1 ILE A 74 -0.719 -17.396 22.691 1.00 10.00 C ATOM 0 H ILE A 74 -3.247 -15.936 19.151 1.00 10.00 H new ATOM 0 HA ILE A 74 -2.835 -17.658 21.571 1.00 10.00 H new ATOM 0 HB ILE A 74 -2.230 -14.682 21.205 1.00 10.00 H new ATOM 0 HG12 ILE A 74 -0.314 -16.198 20.938 1.00 10.00 H new ATOM 0 HG13 ILE A 74 -0.150 -15.325 22.449 1.00 10.00 H new ATOM 0 HG21 ILE A 74 -2.153 -14.518 23.678 1.00 50.00 H new ATOM 0 HG22 ILE A 74 -3.786 -14.953 23.118 1.00 50.00 H new ATOM 0 HG23 ILE A 74 -2.720 -16.200 23.807 1.00 50.00 H new ATOM 0 HD11 ILE A 74 0.311 -17.741 22.778 1.00 10.00 H new ATOM 0 HD12 ILE A 74 -1.139 -17.253 23.687 1.00 10.00 H new ATOM 0 HD13 ILE A 74 -1.306 -18.140 22.152 1.00 10.00 H new ATOM 1051 N VAL A 75 -5.359 -17.383 21.049 1.00 10.00 N ATOM 1052 CA VAL A 75 -6.832 -17.188 21.210 1.00 10.00 C ATOM 1053 C VAL A 75 -7.161 -16.784 22.650 1.00 10.00 C ATOM 1054 O VAL A 75 -6.889 -17.510 23.583 1.00 10.00 O ATOM 1055 CB VAL A 75 -7.453 -18.547 20.878 1.00 50.00 C ATOM 1056 CG1 VAL A 75 -6.841 -19.626 21.772 1.00 50.00 C ATOM 1057 CG2 VAL A 75 -8.964 -18.490 21.115 1.00 50.00 C ATOM 0 H VAL A 75 -5.078 -18.303 20.710 1.00 10.00 H new ATOM 0 HA VAL A 75 -7.215 -16.397 20.565 1.00 10.00 H new ATOM 0 HB VAL A 75 -7.255 -18.787 19.833 1.00 50.00 H new ATOM 0 HG11 VAL A 75 -7.286 -20.592 21.533 1.00 50.00 H new ATOM 0 HG12 VAL A 75 -5.765 -19.670 21.604 1.00 50.00 H new ATOM 0 HG13 VAL A 75 -7.036 -19.386 22.817 1.00 50.00 H new ATOM 0 HG21 VAL A 75 -9.406 -19.458 20.879 1.00 50.00 H new ATOM 0 HG22 VAL A 75 -9.160 -18.247 22.159 1.00 50.00 H new ATOM 0 HG23 VAL A 75 -9.404 -17.724 20.476 1.00 50.00 H new ATOM 1067 N LYS A 76 -7.746 -15.631 22.844 1.00 10.00 N ATOM 1068 CA LYS A 76 -8.087 -15.197 24.230 1.00 10.00 C ATOM 1069 C LYS A 76 -9.507 -15.639 24.590 1.00 10.00 C ATOM 1070 O LYS A 76 -9.918 -15.574 25.731 1.00 10.00 O ATOM 1071 CB LYS A 76 -7.989 -13.672 24.204 1.00 25.00 C ATOM 1072 CG LYS A 76 -6.536 -13.261 23.962 1.00 25.00 C ATOM 1073 CD LYS A 76 -6.024 -12.457 25.159 1.00 50.00 C ATOM 1074 CE LYS A 76 -5.158 -11.300 24.660 1.00 50.00 C ATOM 1075 NZ LYS A 76 -5.495 -10.156 25.553 1.00 50.00 N ATOM 0 H LYS A 76 -8.001 -14.974 22.106 1.00 10.00 H new ATOM 0 HA LYS A 76 -7.422 -15.635 24.974 1.00 10.00 H new ATOM 0 HB2 LYS A 76 -8.628 -13.269 23.419 1.00 25.00 H new ATOM 0 HB3 LYS A 76 -8.343 -13.258 25.148 1.00 25.00 H new ATOM 0 HG2 LYS A 76 -5.917 -14.146 23.814 1.00 25.00 H new ATOM 0 HG3 LYS A 76 -6.463 -12.665 23.052 1.00 25.00 H new ATOM 0 HD2 LYS A 76 -6.863 -12.074 25.740 1.00 50.00 H new ATOM 0 HD3 LYS A 76 -5.445 -13.100 25.822 1.00 50.00 H new ATOM 0 HE2 LYS A 76 -4.098 -11.547 24.717 1.00 50.00 H new ATOM 0 HE3 LYS A 76 -5.375 -11.065 23.618 1.00 50.00 H new ATOM 0 HZ1 LYS A 76 -4.673 -9.524 25.633 1.00 50.00 H new ATOM 0 HZ2 LYS A 76 -6.299 -9.630 25.155 1.00 50.00 H new ATOM 0 HZ3 LYS A 76 -5.749 -10.515 26.496 1.00 50.00 H new ATOM 1089 N GLU A 77 -10.260 -16.092 23.625 1.00 10.00 N ATOM 1090 CA GLU A 77 -11.653 -16.541 23.912 1.00 10.00 C ATOM 1091 C GLU A 77 -12.265 -17.180 22.663 1.00 10.00 C ATOM 1092 O GLU A 77 -11.616 -17.319 21.646 1.00 10.00 O ATOM 1093 CB GLU A 77 -12.411 -15.269 24.294 1.00 10.00 C ATOM 1094 CG GLU A 77 -13.300 -15.548 25.509 1.00 10.00 C ATOM 1095 CD GLU A 77 -14.577 -14.712 25.409 1.00 25.00 C ATOM 1096 OE1 GLU A 77 -15.433 -15.067 24.616 1.00 25.00 O ATOM 1097 OE2 GLU A 77 -14.675 -13.729 26.124 1.00 25.00 O ATOM 0 H GLU A 77 -9.971 -16.171 22.650 1.00 10.00 H new ATOM 0 HA GLU A 77 -11.693 -17.288 24.704 1.00 10.00 H new ATOM 0 HB2 GLU A 77 -11.707 -14.468 24.522 1.00 10.00 H new ATOM 0 HB3 GLU A 77 -13.019 -14.930 23.455 1.00 10.00 H new ATOM 0 HG2 GLU A 77 -13.549 -16.608 25.555 1.00 10.00 H new ATOM 0 HG3 GLU A 77 -12.765 -15.306 26.428 1.00 10.00 H new ATOM 1104 N GLY A 78 -13.507 -17.574 22.732 1.00 10.00 N ATOM 1105 CA GLY A 78 -14.150 -18.207 21.548 1.00 10.00 C ATOM 1106 C GLY A 78 -13.486 -19.558 21.277 1.00 10.00 C ATOM 1107 O GLY A 78 -12.519 -19.923 21.916 1.00 10.00 O ATOM 0 H GLY A 78 -14.102 -17.485 23.555 1.00 10.00 H new ATOM 0 HA2 GLY A 78 -15.217 -18.342 21.727 1.00 10.00 H new ATOM 0 HA3 GLY A 78 -14.053 -17.559 20.677 1.00 10.00 H new ATOM 1111 N GLU A 79 -13.994 -20.306 20.337 1.00 10.00 N ATOM 1112 CA GLU A 79 -13.387 -21.633 20.035 1.00 10.00 C ATOM 1113 C GLU A 79 -13.027 -21.729 18.549 1.00 10.00 C ATOM 1114 O GLU A 79 -13.864 -21.558 17.685 1.00 10.00 O ATOM 1115 CB GLU A 79 -14.471 -22.653 20.389 1.00 25.00 C ATOM 1116 CG GLU A 79 -14.135 -24.004 19.754 1.00 25.00 C ATOM 1117 CD GLU A 79 -14.784 -25.127 20.565 1.00 50.00 C ATOM 1118 OE1 GLU A 79 -15.734 -24.844 21.274 1.00 50.00 O ATOM 1119 OE2 GLU A 79 -14.319 -26.250 20.461 1.00 50.00 O ATOM 0 H GLU A 79 -14.801 -20.057 19.766 1.00 10.00 H new ATOM 0 HA GLU A 79 -12.467 -21.801 20.595 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -14.546 -22.758 21.471 1.00 25.00 H new ATOM 0 HB3 GLU A 79 -15.441 -22.305 20.035 1.00 25.00 H new ATOM 0 HG2 GLU A 79 -14.492 -24.032 18.724 1.00 25.00 H new ATOM 0 HG3 GLU A 79 -13.054 -24.143 19.721 1.00 25.00 H new ATOM 1126 N ILE A 80 -11.789 -22.005 18.247 1.00 10.00 N ATOM 1127 CA ILE A 80 -11.378 -22.120 16.820 1.00 10.00 C ATOM 1128 C ILE A 80 -11.266 -23.595 16.426 1.00 10.00 C ATOM 1129 O ILE A 80 -10.700 -24.397 17.143 1.00 10.00 O ATOM 1130 CB ILE A 80 -10.011 -21.441 16.744 1.00 10.00 C ATOM 1131 CG1 ILE A 80 -10.159 -19.952 17.064 1.00 10.00 C ATOM 1132 CG2 ILE A 80 -9.437 -21.605 15.335 1.00 10.00 C ATOM 1133 CD1 ILE A 80 -8.792 -19.376 17.439 1.00 50.00 C ATOM 0 H ILE A 80 -11.044 -22.156 18.927 1.00 10.00 H new ATOM 0 HA ILE A 80 -12.098 -21.660 16.143 1.00 10.00 H new ATOM 0 HB ILE A 80 -9.338 -21.902 17.467 1.00 10.00 H new ATOM 0 HG12 ILE A 80 -10.566 -19.422 16.203 1.00 10.00 H new ATOM 0 HG13 ILE A 80 -10.862 -19.813 17.885 1.00 10.00 H new ATOM 0 HG21 ILE A 80 -8.462 -21.121 15.281 1.00 10.00 H new ATOM 0 HG22 ILE A 80 -9.329 -22.665 15.107 1.00 10.00 H new ATOM 0 HG23 ILE A 80 -10.111 -21.146 14.612 1.00 10.00 H new ATOM 0 HD11 ILE A 80 -8.894 -18.315 17.667 1.00 50.00 H new ATOM 0 HD12 ILE A 80 -8.404 -19.900 18.313 1.00 50.00 H new ATOM 0 HD13 ILE A 80 -8.103 -19.502 16.604 1.00 50.00 H new ATOM 1145 N ASP A 81 -11.801 -23.961 15.295 1.00 10.00 N ATOM 1146 CA ASP A 81 -11.724 -25.387 14.863 1.00 10.00 C ATOM 1147 C ASP A 81 -10.555 -25.587 13.894 1.00 10.00 C ATOM 1148 O ASP A 81 -10.299 -24.766 13.036 1.00 10.00 O ATOM 1149 CB ASP A 81 -13.056 -25.660 14.163 1.00 10.00 C ATOM 1150 CG ASP A 81 -13.378 -27.154 14.247 1.00 10.00 C ATOM 1151 OD1 ASP A 81 -13.592 -27.631 15.349 1.00 10.00 O ATOM 1152 OD2 ASP A 81 -13.407 -27.793 13.209 1.00 10.00 O ATOM 0 H ASP A 81 -12.288 -23.337 14.651 1.00 10.00 H new ATOM 0 HA ASP A 81 -11.557 -26.064 15.701 1.00 10.00 H new ATOM 0 HB2 ASP A 81 -13.851 -25.079 14.630 1.00 10.00 H new ATOM 0 HB3 ASP A 81 -13.002 -25.346 13.120 1.00 10.00 H new ATOM 1157 N MET A 82 -9.845 -26.674 14.025 1.00 12.50 N ATOM 1158 CA MET A 82 -8.693 -26.931 13.112 1.00 12.50 C ATOM 1159 C MET A 82 -8.861 -28.285 12.419 1.00 12.50 C ATOM 1160 O MET A 82 -9.901 -28.910 12.497 1.00 12.50 O ATOM 1161 CB MET A 82 -7.463 -26.942 14.020 1.00 12.50 C ATOM 1162 CG MET A 82 -6.797 -25.566 13.996 1.00 12.50 C ATOM 1163 SD MET A 82 -5.859 -25.322 15.524 1.00 12.50 S ATOM 1164 CE MET A 82 -5.155 -26.986 15.623 1.00 50.00 C ATOM 0 H MET A 82 -10.012 -27.397 14.725 1.00 12.50 H new ATOM 0 HA MET A 82 -8.612 -26.180 12.326 1.00 12.50 H new ATOM 0 HB2 MET A 82 -7.753 -27.200 15.039 1.00 12.50 H new ATOM 0 HB3 MET A 82 -6.759 -27.704 13.686 1.00 12.50 H new ATOM 0 HG2 MET A 82 -6.135 -25.486 13.134 1.00 12.50 H new ATOM 0 HG3 MET A 82 -7.552 -24.787 13.892 1.00 12.50 H new ATOM 0 HE1 MET A 82 -4.268 -26.969 16.256 1.00 50.00 H new ATOM 0 HE2 MET A 82 -5.891 -27.668 16.048 1.00 50.00 H new ATOM 0 HE3 MET A 82 -4.881 -27.325 14.624 1.00 50.00 H new ATOM 1174 N ASP A 83 -7.845 -28.744 11.740 1.00 50.00 N ATOM 1175 CA ASP A 83 -7.947 -30.059 11.042 1.00 50.00 C ATOM 1176 C ASP A 83 -7.451 -31.185 11.953 1.00 50.00 C ATOM 1177 O ASP A 83 -7.026 -30.953 13.067 1.00 50.00 O ATOM 1178 CB ASP A 83 -7.043 -29.926 9.815 1.00 50.00 C ATOM 1179 CG ASP A 83 -7.476 -30.936 8.751 1.00 50.00 C ATOM 1180 OD1 ASP A 83 -8.639 -30.916 8.382 1.00 50.00 O ATOM 1181 OD2 ASP A 83 -6.638 -31.712 8.324 1.00 50.00 O ATOM 0 H ASP A 83 -6.949 -28.267 11.638 1.00 50.00 H new ATOM 0 HA ASP A 83 -8.974 -30.302 10.770 1.00 50.00 H new ATOM 0 HB2 ASP A 83 -7.101 -28.913 9.416 1.00 50.00 H new ATOM 0 HB3 ASP A 83 -6.004 -30.099 10.095 1.00 50.00 H new ATOM 1186 N MET A 84 -7.499 -32.403 11.487 1.00 50.00 N ATOM 1187 CA MET A 84 -7.029 -33.542 12.326 1.00 50.00 C ATOM 1188 C MET A 84 -5.499 -33.572 12.366 1.00 50.00 C ATOM 1189 O MET A 84 -4.867 -34.373 11.706 1.00 50.00 O ATOM 1190 CB MET A 84 -7.571 -34.794 11.635 1.00 50.00 C ATOM 1191 CG MET A 84 -7.954 -35.833 12.692 1.00 50.00 C ATOM 1192 SD MET A 84 -6.545 -36.927 13.000 1.00 50.00 S ATOM 1193 CE MET A 84 -7.228 -38.406 12.211 1.00 50.00 C ATOM 0 H MET A 84 -7.843 -32.659 10.562 1.00 50.00 H new ATOM 0 HA MET A 84 -7.373 -33.465 13.357 1.00 50.00 H new ATOM 0 HB2 MET A 84 -8.440 -34.540 11.027 1.00 50.00 H new ATOM 0 HB3 MET A 84 -6.819 -35.205 10.961 1.00 50.00 H new ATOM 0 HG2 MET A 84 -8.251 -35.336 13.615 1.00 50.00 H new ATOM 0 HG3 MET A 84 -8.812 -36.414 12.353 1.00 50.00 H new ATOM 0 HE1 MET A 84 -6.510 -39.223 12.285 1.00 50.00 H new ATOM 0 HE2 MET A 84 -8.154 -38.690 12.711 1.00 50.00 H new ATOM 0 HE3 MET A 84 -7.432 -38.197 11.161 1.00 50.00 H new ATOM 1203 N GLN A 85 -4.900 -32.703 13.133 1.00 16.66 N ATOM 1204 CA GLN A 85 -3.411 -32.682 13.213 1.00 16.66 C ATOM 1205 C GLN A 85 -2.961 -32.045 14.530 1.00 16.66 C ATOM 1206 O GLN A 85 -2.543 -32.722 15.448 1.00 16.66 O ATOM 1207 CB GLN A 85 -2.966 -31.829 12.025 1.00 16.66 C ATOM 1208 CG GLN A 85 -2.248 -32.715 11.005 1.00 16.66 C ATOM 1209 CD GLN A 85 -1.801 -31.864 9.814 1.00 16.66 C ATOM 1210 OE1 GLN A 85 -0.761 -32.107 9.234 1.00 16.66 O ATOM 1211 NE2 GLN A 85 -2.549 -30.868 9.422 1.00 16.66 N ATOM 0 H GLN A 85 -5.376 -32.007 13.707 1.00 16.66 H new ATOM 0 HA GLN A 85 -2.980 -33.683 13.182 1.00 16.66 H new ATOM 0 HB2 GLN A 85 -3.829 -31.350 11.563 1.00 16.66 H new ATOM 0 HB3 GLN A 85 -2.302 -31.033 12.363 1.00 16.66 H new ATOM 0 HG2 GLN A 85 -1.385 -33.194 11.467 1.00 16.66 H new ATOM 0 HG3 GLN A 85 -2.912 -33.511 10.668 1.00 16.66 H new ATOM 0 HE21 GLN A 85 -3.422 -30.664 9.908 1.00 16.66 H new ATOM 0 HE22 GLN A 85 -2.260 -30.294 8.629 1.00 16.66 H new ATOM 1220 N GLN A 86 -3.043 -30.747 14.630 1.00 16.66 N ATOM 1221 CA GLN A 86 -2.618 -30.067 15.888 1.00 16.66 C ATOM 1222 C GLN A 86 -1.117 -30.261 16.114 1.00 16.66 C ATOM 1223 O GLN A 86 -0.680 -31.281 16.609 1.00 16.66 O ATOM 1224 CB GLN A 86 -3.421 -30.749 16.996 1.00 16.66 C ATOM 1225 CG GLN A 86 -3.618 -29.772 18.156 1.00 16.66 C ATOM 1226 CD GLN A 86 -5.005 -29.981 18.769 1.00 50.00 C ATOM 1227 OE1 GLN A 86 -5.346 -31.075 19.170 1.00 50.00 O ATOM 1228 NE2 GLN A 86 -5.824 -28.969 18.859 1.00 50.00 N ATOM 0 H GLN A 86 -3.386 -30.127 13.896 1.00 16.66 H new ATOM 0 HA GLN A 86 -2.796 -28.992 15.858 1.00 16.66 H new ATOM 0 HB2 GLN A 86 -4.388 -31.074 16.612 1.00 16.66 H new ATOM 0 HB3 GLN A 86 -2.899 -31.641 17.342 1.00 16.66 H new ATOM 0 HG2 GLN A 86 -2.848 -29.927 18.911 1.00 16.66 H new ATOM 0 HG3 GLN A 86 -3.516 -28.746 17.803 1.00 16.66 H new ATOM 0 HE21 GLN A 86 -5.538 -28.050 18.522 1.00 50.00 H new ATOM 0 HE22 GLN A 86 -6.750 -29.097 19.266 1.00 50.00 H new ATOM 1237 N ILE A 87 -0.323 -29.288 15.756 1.00 12.50 N ATOM 1238 CA ILE A 87 1.149 -29.416 15.953 1.00 12.50 C ATOM 1239 C ILE A 87 1.503 -29.215 17.428 1.00 12.50 C ATOM 1240 O ILE A 87 2.412 -29.831 17.949 1.00 12.50 O ATOM 1241 CB ILE A 87 1.760 -28.305 15.094 1.00 50.00 C ATOM 1242 CG1 ILE A 87 1.753 -28.733 13.626 1.00 50.00 C ATOM 1243 CG2 ILE A 87 3.201 -28.044 15.541 1.00 50.00 C ATOM 1244 CD1 ILE A 87 2.690 -29.927 13.442 1.00 50.00 C ATOM 0 H ILE A 87 -0.630 -28.411 15.336 1.00 12.50 H new ATOM 0 HA ILE A 87 1.522 -30.400 15.670 1.00 12.50 H new ATOM 0 HB ILE A 87 1.173 -27.394 15.211 1.00 50.00 H new ATOM 0 HG12 ILE A 87 0.742 -28.999 13.318 1.00 50.00 H new ATOM 0 HG13 ILE A 87 2.072 -27.905 12.993 1.00 50.00 H new ATOM 0 HG21 ILE A 87 3.634 -27.253 14.929 1.00 50.00 H new ATOM 0 HG22 ILE A 87 3.208 -27.738 16.587 1.00 50.00 H new ATOM 0 HG23 ILE A 87 3.788 -28.955 15.426 1.00 50.00 H new ATOM 0 HD11 ILE A 87 2.687 -30.234 12.396 1.00 50.00 H new ATOM 0 HD12 ILE A 87 3.701 -29.644 13.734 1.00 50.00 H new ATOM 0 HD13 ILE A 87 2.351 -30.755 14.064 1.00 50.00 H new ATOM 1256 N LEU A 88 0.793 -28.356 18.106 1.00 12.50 N ATOM 1257 CA LEU A 88 1.090 -28.117 19.548 1.00 12.50 C ATOM 1258 C LEU A 88 0.321 -29.115 20.419 1.00 12.50 C ATOM 1259 O LEU A 88 -0.459 -29.908 19.930 1.00 12.50 O ATOM 1260 CB LEU A 88 0.610 -26.692 19.816 1.00 12.50 C ATOM 1261 CG LEU A 88 -0.850 -26.559 19.381 1.00 12.50 C ATOM 1262 CD1 LEU A 88 -1.687 -26.041 20.553 1.00 12.50 C ATOM 1263 CD2 LEU A 88 -0.947 -25.578 18.211 1.00 12.50 C ATOM 0 H LEU A 88 0.021 -27.809 17.725 1.00 12.50 H new ATOM 0 HA LEU A 88 2.148 -28.243 19.780 1.00 12.50 H new ATOM 0 HB2 LEU A 88 0.708 -26.456 20.876 1.00 12.50 H new ATOM 0 HB3 LEU A 88 1.230 -25.979 19.272 1.00 12.50 H new ATOM 0 HG LEU A 88 -1.226 -27.533 19.069 1.00 12.50 H new ATOM 0 HD11 LEU A 88 -2.728 -25.946 20.243 1.00 12.50 H new ATOM 0 HD12 LEU A 88 -1.619 -26.741 21.386 1.00 12.50 H new ATOM 0 HD13 LEU A 88 -1.311 -25.067 20.866 1.00 12.50 H new ATOM 0 HD21 LEU A 88 -1.988 -25.483 17.901 1.00 12.50 H new ATOM 0 HD22 LEU A 88 -0.571 -24.603 18.521 1.00 12.50 H new ATOM 0 HD23 LEU A 88 -0.352 -25.948 17.376 1.00 12.50 H new ATOM 1275 N SER A 89 0.533 -29.078 21.707 1.00 12.50 N ATOM 1276 CA SER A 89 -0.187 -30.022 22.609 1.00 12.50 C ATOM 1277 C SER A 89 -1.463 -29.368 23.145 1.00 12.50 C ATOM 1278 O SER A 89 -1.703 -28.195 22.939 1.00 12.50 O ATOM 1279 CB SER A 89 0.791 -30.306 23.750 1.00 12.50 C ATOM 1280 OG SER A 89 0.514 -31.584 24.304 1.00 12.50 O ATOM 0 H SER A 89 1.173 -28.435 22.173 1.00 12.50 H new ATOM 0 HA SER A 89 -0.489 -30.935 22.096 1.00 12.50 H new ATOM 0 HB2 SER A 89 1.816 -30.272 23.381 1.00 12.50 H new ATOM 0 HB3 SER A 89 0.703 -29.538 24.518 1.00 12.50 H new ATOM 0 HG SER A 89 1.142 -31.767 25.034 1.00 12.50 H new ATOM 1286 N ASP A 90 -2.282 -30.116 23.831 1.00 10.00 N ATOM 1287 CA ASP A 90 -3.540 -29.533 24.379 1.00 10.00 C ATOM 1288 C ASP A 90 -3.215 -28.436 25.393 1.00 10.00 C ATOM 1289 O ASP A 90 -3.718 -27.333 25.316 1.00 10.00 O ATOM 1290 CB ASP A 90 -4.256 -30.700 25.059 1.00 10.00 C ATOM 1291 CG ASP A 90 -5.636 -30.243 25.536 1.00 10.00 C ATOM 1292 OD1 ASP A 90 -5.696 -29.267 26.264 1.00 10.00 O ATOM 1293 OD2 ASP A 90 -6.608 -30.878 25.164 1.00 10.00 O ATOM 0 H ASP A 90 -2.135 -31.104 24.036 1.00 10.00 H new ATOM 0 HA ASP A 90 -4.155 -29.076 23.604 1.00 10.00 H new ATOM 0 HB2 ASP A 90 -4.357 -31.533 24.364 1.00 10.00 H new ATOM 0 HB3 ASP A 90 -3.668 -31.059 25.904 1.00 10.00 H new ATOM 1298 N GLU A 91 -2.370 -28.729 26.340 1.00 12.50 N ATOM 1299 CA GLU A 91 -2.006 -27.701 27.356 1.00 12.50 C ATOM 1300 C GLU A 91 -1.586 -26.415 26.646 1.00 12.50 C ATOM 1301 O GLU A 91 -1.648 -25.335 27.198 1.00 12.50 O ATOM 1302 CB GLU A 91 -0.830 -28.300 28.127 1.00 12.50 C ATOM 1303 CG GLU A 91 -1.345 -29.379 29.082 1.00 12.50 C ATOM 1304 CD GLU A 91 -0.167 -29.983 29.851 1.00 50.00 C ATOM 1305 OE1 GLU A 91 0.958 -29.774 29.430 1.00 50.00 O ATOM 1306 OE2 GLU A 91 -0.412 -30.643 30.847 1.00 50.00 O ATOM 0 H GLU A 91 -1.915 -29.635 26.456 1.00 12.50 H new ATOM 0 HA GLU A 91 -2.834 -27.453 28.020 1.00 12.50 H new ATOM 0 HB2 GLU A 91 -0.106 -28.728 27.433 1.00 12.50 H new ATOM 0 HB3 GLU A 91 -0.313 -27.520 28.686 1.00 12.50 H new ATOM 0 HG2 GLU A 91 -2.066 -28.950 29.778 1.00 12.50 H new ATOM 0 HG3 GLU A 91 -1.865 -30.157 28.523 1.00 12.50 H new ATOM 1313 N GLU A 92 -1.170 -26.528 25.415 1.00 10.00 N ATOM 1314 CA GLU A 92 -0.754 -25.320 24.651 1.00 10.00 C ATOM 1315 C GLU A 92 -1.995 -24.579 24.148 1.00 10.00 C ATOM 1316 O GLU A 92 -2.100 -23.374 24.258 1.00 10.00 O ATOM 1317 CB GLU A 92 0.060 -25.859 23.474 1.00 50.00 C ATOM 1318 CG GLU A 92 1.442 -25.204 23.464 1.00 50.00 C ATOM 1319 CD GLU A 92 2.392 -26.003 24.359 1.00 50.00 C ATOM 1320 OE1 GLU A 92 2.131 -27.177 24.564 1.00 50.00 O ATOM 1321 OE2 GLU A 92 3.361 -25.427 24.823 1.00 50.00 O ATOM 0 H GLU A 92 -1.100 -27.408 24.904 1.00 10.00 H new ATOM 0 HA GLU A 92 -0.178 -24.619 25.255 1.00 10.00 H new ATOM 0 HB2 GLU A 92 0.160 -26.942 23.553 1.00 50.00 H new ATOM 0 HB3 GLU A 92 -0.457 -25.654 22.537 1.00 50.00 H new ATOM 0 HG2 GLU A 92 1.830 -25.165 22.446 1.00 50.00 H new ATOM 0 HG3 GLU A 92 1.371 -24.175 23.817 1.00 50.00 H new ATOM 1328 N VAL A 93 -2.936 -25.298 23.601 1.00 10.00 N ATOM 1329 CA VAL A 93 -4.176 -24.648 23.092 1.00 10.00 C ATOM 1330 C VAL A 93 -5.086 -24.261 24.261 1.00 10.00 C ATOM 1331 O VAL A 93 -5.992 -23.463 24.120 1.00 10.00 O ATOM 1332 CB VAL A 93 -4.842 -25.713 22.214 1.00 10.00 C ATOM 1333 CG1 VAL A 93 -5.547 -26.749 23.095 1.00 10.00 C ATOM 1334 CG2 VAL A 93 -5.866 -25.045 21.293 1.00 10.00 C ATOM 0 H VAL A 93 -2.899 -26.311 23.484 1.00 10.00 H new ATOM 0 HA VAL A 93 -3.971 -23.732 22.537 1.00 10.00 H new ATOM 0 HB VAL A 93 -4.080 -26.212 21.615 1.00 10.00 H new ATOM 0 HG11 VAL A 93 -6.018 -27.503 22.464 1.00 10.00 H new ATOM 0 HG12 VAL A 93 -4.818 -27.227 23.749 1.00 10.00 H new ATOM 0 HG13 VAL A 93 -6.308 -26.255 23.700 1.00 10.00 H new ATOM 0 HG21 VAL A 93 -6.341 -25.801 20.668 1.00 10.00 H new ATOM 0 HG22 VAL A 93 -6.624 -24.544 21.895 1.00 10.00 H new ATOM 0 HG23 VAL A 93 -5.363 -24.314 20.660 1.00 10.00 H new ATOM 1344 N GLU A 94 -4.854 -24.827 25.414 1.00 12.50 N ATOM 1345 CA GLU A 94 -5.706 -24.502 26.592 1.00 12.50 C ATOM 1346 C GLU A 94 -5.046 -23.416 27.446 1.00 12.50 C ATOM 1347 O GLU A 94 -5.668 -22.440 27.813 1.00 12.50 O ATOM 1348 CB GLU A 94 -5.807 -25.811 27.375 1.00 12.50 C ATOM 1349 CG GLU A 94 -7.125 -25.841 28.149 1.00 12.50 C ATOM 1350 CD GLU A 94 -6.873 -26.378 29.560 1.00 12.50 C ATOM 1351 OE1 GLU A 94 -6.103 -27.315 29.687 1.00 12.50 O ATOM 1352 OE2 GLU A 94 -7.454 -25.842 30.490 1.00 12.50 O ATOM 0 H GLU A 94 -4.110 -25.502 25.591 1.00 12.50 H new ATOM 0 HA GLU A 94 -6.685 -24.121 26.300 1.00 12.50 H new ATOM 0 HB2 GLU A 94 -5.754 -26.660 26.693 1.00 12.50 H new ATOM 0 HB3 GLU A 94 -4.967 -25.901 28.063 1.00 12.50 H new ATOM 0 HG2 GLU A 94 -7.553 -24.840 28.200 1.00 12.50 H new ATOM 0 HG3 GLU A 94 -7.849 -26.471 27.632 1.00 12.50 H new ATOM 1359 N GLU A 95 -3.793 -23.580 27.768 1.00 12.50 N ATOM 1360 CA GLU A 95 -3.098 -22.560 28.604 1.00 12.50 C ATOM 1361 C GLU A 95 -2.378 -21.541 27.715 1.00 12.50 C ATOM 1362 O GLU A 95 -2.411 -20.352 27.965 1.00 12.50 O ATOM 1363 CB GLU A 95 -2.093 -23.350 29.441 1.00 25.00 C ATOM 1364 CG GLU A 95 -2.835 -24.397 30.276 1.00 25.00 C ATOM 1365 CD GLU A 95 -2.053 -24.676 31.561 1.00 50.00 C ATOM 1366 OE1 GLU A 95 -0.835 -24.714 31.495 1.00 50.00 O ATOM 1367 OE2 GLU A 95 -2.686 -24.848 32.590 1.00 50.00 O ATOM 0 H GLU A 95 -3.220 -24.376 27.489 1.00 12.50 H new ATOM 0 HA GLU A 95 -3.793 -21.997 29.227 1.00 12.50 H new ATOM 0 HB2 GLU A 95 -1.365 -23.836 28.791 1.00 25.00 H new ATOM 0 HB3 GLU A 95 -1.538 -22.676 30.093 1.00 25.00 H new ATOM 0 HG2 GLU A 95 -3.837 -24.041 30.518 1.00 25.00 H new ATOM 0 HG3 GLU A 95 -2.953 -25.317 29.703 1.00 25.00 H new ATOM 1374 N LYS A 96 -1.723 -21.995 26.681 1.00 25.00 N ATOM 1375 CA LYS A 96 -1.001 -21.047 25.784 1.00 25.00 C ATOM 1376 C LYS A 96 -1.972 -20.422 24.779 1.00 25.00 C ATOM 1377 O LYS A 96 -1.703 -19.384 24.206 1.00 25.00 O ATOM 1378 CB LYS A 96 0.046 -21.900 25.066 1.00 25.00 C ATOM 1379 CG LYS A 96 1.396 -21.178 25.084 1.00 25.00 C ATOM 1380 CD LYS A 96 1.851 -20.972 26.532 1.00 25.00 C ATOM 1381 CE LYS A 96 1.710 -22.284 27.306 1.00 25.00 C ATOM 1382 NZ LYS A 96 2.480 -23.281 26.513 1.00 25.00 N ATOM 0 H LYS A 96 -1.656 -22.978 26.419 1.00 25.00 H new ATOM 0 HA LYS A 96 -0.546 -20.223 26.334 1.00 25.00 H new ATOM 0 HB2 LYS A 96 0.135 -22.871 25.553 1.00 25.00 H new ATOM 0 HB3 LYS A 96 -0.265 -22.086 24.038 1.00 25.00 H new ATOM 0 HG2 LYS A 96 2.138 -21.761 24.539 1.00 25.00 H new ATOM 0 HG3 LYS A 96 1.312 -20.216 24.579 1.00 25.00 H new ATOM 0 HD2 LYS A 96 2.887 -20.635 26.554 1.00 25.00 H new ATOM 0 HD3 LYS A 96 1.253 -20.193 27.005 1.00 25.00 H new ATOM 0 HE2 LYS A 96 2.107 -22.191 28.317 1.00 25.00 H new ATOM 0 HE3 LYS A 96 0.664 -22.577 27.400 1.00 25.00 H new ATOM 0 HZ1 LYS A 96 2.922 -23.969 27.156 1.00 25.00 H new ATOM 0 HZ2 LYS A 96 1.838 -23.777 25.862 1.00 25.00 H new ATOM 0 HZ3 LYS A 96 3.219 -22.794 25.967 1.00 25.00 H new ATOM 1396 N ASP A 97 -3.101 -21.039 24.562 1.00 10.00 N ATOM 1397 CA ASP A 97 -4.088 -20.475 23.596 1.00 10.00 C ATOM 1398 C ASP A 97 -3.454 -20.321 22.214 1.00 10.00 C ATOM 1399 O ASP A 97 -3.829 -19.460 21.444 1.00 10.00 O ATOM 1400 CB ASP A 97 -4.452 -19.102 24.159 1.00 50.00 C ATOM 1401 CG ASP A 97 -5.698 -19.229 25.038 1.00 50.00 C ATOM 1402 OD1 ASP A 97 -6.381 -20.233 24.923 1.00 50.00 O ATOM 1403 OD2 ASP A 97 -5.949 -18.318 25.811 1.00 50.00 O ATOM 0 H ASP A 97 -3.384 -21.910 25.012 1.00 10.00 H new ATOM 0 HA ASP A 97 -4.959 -21.120 23.480 1.00 10.00 H new ATOM 0 HB2 ASP A 97 -3.621 -18.703 24.741 1.00 50.00 H new ATOM 0 HB3 ASP A 97 -4.637 -18.400 23.346 1.00 50.00 H new ATOM 1408 N VAL A 98 -2.492 -21.137 21.893 1.00 10.00 N ATOM 1409 CA VAL A 98 -1.841 -21.013 20.559 1.00 10.00 C ATOM 1410 C VAL A 98 -2.442 -22.011 19.569 1.00 10.00 C ATOM 1411 O VAL A 98 -2.415 -23.208 19.778 1.00 10.00 O ATOM 1412 CB VAL A 98 -0.363 -21.318 20.804 1.00 50.00 C ATOM 1413 CG1 VAL A 98 0.159 -20.435 21.938 1.00 50.00 C ATOM 1414 CG2 VAL A 98 -0.200 -22.791 21.186 1.00 50.00 C ATOM 0 H VAL A 98 -2.129 -21.880 22.491 1.00 10.00 H new ATOM 0 HA VAL A 98 -1.986 -20.023 20.127 1.00 10.00 H new ATOM 0 HB VAL A 98 0.204 -21.115 19.896 1.00 50.00 H new ATOM 0 HG11 VAL A 98 1.213 -20.652 22.113 1.00 50.00 H new ATOM 0 HG12 VAL A 98 0.045 -19.386 21.664 1.00 50.00 H new ATOM 0 HG13 VAL A 98 -0.409 -20.636 22.847 1.00 50.00 H new ATOM 0 HG21 VAL A 98 0.854 -23.007 21.360 1.00 50.00 H new ATOM 0 HG22 VAL A 98 -0.768 -22.996 22.094 1.00 50.00 H new ATOM 0 HG23 VAL A 98 -0.570 -23.420 20.376 1.00 50.00 H new ATOM 1424 N ARG A 99 -2.978 -21.521 18.486 1.00 10.00 N ATOM 1425 CA ARG A 99 -3.577 -22.427 17.467 1.00 10.00 C ATOM 1426 C ARG A 99 -3.004 -22.101 16.085 1.00 10.00 C ATOM 1427 O ARG A 99 -2.212 -21.194 15.932 1.00 10.00 O ATOM 1428 CB ARG A 99 -5.077 -22.135 17.512 1.00 50.00 C ATOM 1429 CG ARG A 99 -5.677 -22.747 18.781 1.00 50.00 C ATOM 1430 CD ARG A 99 -7.204 -22.738 18.678 1.00 50.00 C ATOM 1431 NE ARG A 99 -7.568 -24.129 18.284 1.00 50.00 N ATOM 1432 CZ ARG A 99 -7.897 -25.001 19.197 1.00 50.00 C ATOM 1433 NH1 ARG A 99 -8.837 -24.719 20.057 1.00 50.00 N ATOM 1434 NH2 ARG A 99 -7.287 -26.153 19.250 1.00 50.00 N ATOM 0 H ARG A 99 -3.027 -20.527 18.262 1.00 10.00 H new ATOM 0 HA ARG A 99 -3.364 -23.478 17.663 1.00 10.00 H new ATOM 0 HB2 ARG A 99 -5.250 -21.059 17.497 1.00 50.00 H new ATOM 0 HB3 ARG A 99 -5.566 -22.548 16.630 1.00 50.00 H new ATOM 0 HG2 ARG A 99 -5.316 -23.767 18.911 1.00 50.00 H new ATOM 0 HG3 ARG A 99 -5.357 -22.182 19.657 1.00 50.00 H new ATOM 0 HD2 ARG A 99 -7.663 -22.463 19.628 1.00 50.00 H new ATOM 0 HD3 ARG A 99 -7.546 -22.015 17.938 1.00 50.00 H new ATOM 0 HE ARG A 99 -7.560 -24.399 17.300 1.00 50.00 H new ATOM 0 HH11 ARG A 99 -9.313 -23.818 20.015 1.00 50.00 H new ATOM 0 HH12 ARG A 99 -9.095 -25.400 20.771 1.00 50.00 H new ATOM 0 HH21 ARG A 99 -6.552 -26.372 18.577 1.00 50.00 H new ATOM 0 HH22 ARG A 99 -7.545 -26.834 19.964 1.00 50.00 H new ATOM 1448 N LEU A 100 -3.396 -22.831 15.079 1.00 10.00 N ATOM 1449 CA LEU A 100 -2.867 -22.555 13.713 1.00 10.00 C ATOM 1450 C LEU A 100 -3.876 -21.722 12.917 1.00 10.00 C ATOM 1451 O LEU A 100 -4.957 -22.174 12.598 1.00 10.00 O ATOM 1452 CB LEU A 100 -2.676 -23.931 13.077 1.00 10.00 C ATOM 1453 CG LEU A 100 -1.375 -24.548 13.596 1.00 10.00 C ATOM 1454 CD1 LEU A 100 -1.459 -24.715 15.115 1.00 10.00 C ATOM 1455 CD2 LEU A 100 -1.163 -25.914 12.945 1.00 10.00 C ATOM 0 H LEU A 100 -4.058 -23.605 15.142 1.00 10.00 H new ATOM 0 HA LEU A 100 -1.937 -21.988 13.734 1.00 10.00 H new ATOM 0 HB2 LEU A 100 -3.520 -24.577 13.318 1.00 10.00 H new ATOM 0 HB3 LEU A 100 -2.643 -23.842 11.991 1.00 10.00 H new ATOM 0 HG LEU A 100 -0.539 -23.894 13.348 1.00 10.00 H new ATOM 0 HD11 LEU A 100 -0.532 -25.154 15.485 1.00 10.00 H new ATOM 0 HD12 LEU A 100 -1.610 -23.741 15.580 1.00 10.00 H new ATOM 0 HD13 LEU A 100 -2.295 -25.369 15.363 1.00 10.00 H new ATOM 0 HD21 LEU A 100 -0.236 -26.353 13.315 1.00 10.00 H new ATOM 0 HD22 LEU A 100 -1.999 -26.568 13.192 1.00 10.00 H new ATOM 0 HD23 LEU A 100 -1.102 -25.796 11.863 1.00 10.00 H new ATOM 1467 N THR A 101 -3.529 -20.504 12.602 1.00 10.00 N ATOM 1468 CA THR A 101 -4.465 -19.632 11.836 1.00 10.00 C ATOM 1469 C THR A 101 -4.380 -19.931 10.335 1.00 10.00 C ATOM 1470 O THR A 101 -5.322 -19.714 9.599 1.00 10.00 O ATOM 1471 CB THR A 101 -3.997 -18.205 12.125 1.00 10.00 C ATOM 1472 OG1 THR A 101 -2.649 -18.056 11.701 1.00 10.00 O ATOM 1473 CG2 THR A 101 -4.095 -17.929 13.627 1.00 10.00 C ATOM 0 H THR A 101 -2.636 -20.074 12.842 1.00 10.00 H new ATOM 0 HA THR A 101 -5.503 -19.793 12.126 1.00 10.00 H new ATOM 0 HB THR A 101 -4.628 -17.498 11.586 1.00 10.00 H new ATOM 0 HG1 THR A 101 -2.348 -17.142 11.884 1.00 10.00 H new ATOM 0 HG21 THR A 101 -3.761 -16.912 13.833 1.00 10.00 H new ATOM 0 HG22 THR A 101 -5.129 -18.044 13.951 1.00 10.00 H new ATOM 0 HG23 THR A 101 -3.464 -18.634 14.168 1.00 10.00 H new ATOM 1481 N CYS A 102 -3.261 -20.419 9.873 1.00 10.00 N ATOM 1482 CA CYS A 102 -3.131 -20.718 8.417 1.00 10.00 C ATOM 1483 C CYS A 102 -4.018 -21.908 8.034 1.00 10.00 C ATOM 1484 O CYS A 102 -4.446 -22.034 6.904 1.00 10.00 O ATOM 1485 CB CYS A 102 -1.651 -21.050 8.205 1.00 10.00 C ATOM 1486 SG CYS A 102 -1.254 -22.619 9.012 1.00 10.00 S ATOM 0 H CYS A 102 -2.435 -20.623 10.436 1.00 10.00 H new ATOM 0 HA CYS A 102 -3.449 -19.880 7.796 1.00 10.00 H new ATOM 0 HB2 CYS A 102 -1.432 -21.113 7.139 1.00 10.00 H new ATOM 0 HB3 CYS A 102 -1.028 -20.253 8.612 1.00 10.00 H new ATOM 0 HG CYS A 102 0.003 -22.896 8.827 1.00 10.00 H new ATOM 1491 N ILE A 103 -4.301 -22.779 8.965 1.00 10.00 N ATOM 1492 CA ILE A 103 -5.166 -23.955 8.646 1.00 10.00 C ATOM 1493 C ILE A 103 -6.224 -24.150 9.735 1.00 10.00 C ATOM 1494 O ILE A 103 -6.669 -25.252 9.991 1.00 10.00 O ATOM 1495 CB ILE A 103 -4.216 -25.152 8.605 1.00 10.00 C ATOM 1496 CG1 ILE A 103 -3.555 -25.327 9.973 1.00 10.00 C ATOM 1497 CG2 ILE A 103 -3.141 -24.915 7.544 1.00 10.00 C ATOM 1498 CD1 ILE A 103 -3.908 -26.705 10.536 1.00 50.00 C ATOM 0 H ILE A 103 -3.973 -22.729 9.929 1.00 10.00 H new ATOM 0 HA ILE A 103 -5.700 -23.826 7.704 1.00 10.00 H new ATOM 0 HB ILE A 103 -4.778 -26.052 8.356 1.00 10.00 H new ATOM 0 HG12 ILE A 103 -2.474 -25.225 9.882 1.00 10.00 H new ATOM 0 HG13 ILE A 103 -3.892 -24.546 10.655 1.00 10.00 H new ATOM 0 HG21 ILE A 103 -2.464 -25.769 7.515 1.00 10.00 H new ATOM 0 HG22 ILE A 103 -3.613 -24.793 6.569 1.00 10.00 H new ATOM 0 HG23 ILE A 103 -2.579 -24.014 7.790 1.00 10.00 H new ATOM 0 HD11 ILE A 103 -3.437 -26.831 11.511 1.00 50.00 H new ATOM 0 HD12 ILE A 103 -4.990 -26.789 10.641 1.00 50.00 H new ATOM 0 HD13 ILE A 103 -3.549 -27.478 9.857 1.00 50.00 H new ATOM 1510 N GLY A 104 -6.632 -23.091 10.379 1.00 10.00 N ATOM 1511 CA GLY A 104 -7.661 -23.222 11.450 1.00 10.00 C ATOM 1512 C GLY A 104 -8.800 -22.234 11.193 1.00 10.00 C ATOM 1513 O GLY A 104 -8.592 -21.149 10.688 1.00 10.00 O ATOM 0 H GLY A 104 -6.298 -22.142 10.211 1.00 10.00 H new ATOM 0 HA2 GLY A 104 -8.048 -24.241 11.473 1.00 10.00 H new ATOM 0 HA3 GLY A 104 -7.212 -23.029 12.425 1.00 10.00 H new ATOM 1517 N SER A 105 -10.004 -22.603 11.538 1.00 10.00 N ATOM 1518 CA SER A 105 -11.159 -21.685 11.317 1.00 10.00 C ATOM 1519 C SER A 105 -11.929 -21.493 12.626 1.00 10.00 C ATOM 1520 O SER A 105 -11.983 -22.382 13.450 1.00 10.00 O ATOM 1521 CB SER A 105 -12.039 -22.384 10.277 1.00 10.00 C ATOM 1522 OG SER A 105 -11.398 -23.569 9.824 1.00 10.00 O ATOM 0 H SER A 105 -10.238 -23.500 11.963 1.00 10.00 H new ATOM 0 HA SER A 105 -10.843 -20.698 10.979 1.00 10.00 H new ATOM 0 HB2 SER A 105 -13.009 -22.627 10.712 1.00 10.00 H new ATOM 0 HB3 SER A 105 -12.225 -21.716 9.436 1.00 10.00 H new ATOM 0 HG SER A 105 -11.965 -24.014 9.160 1.00 10.00 H new ATOM 1528 N PRO A 106 -12.500 -20.329 12.769 1.00 10.00 N ATOM 1529 CA PRO A 106 -13.278 -20.008 13.991 1.00 10.00 C ATOM 1530 C PRO A 106 -14.592 -20.796 14.008 1.00 10.00 C ATOM 1531 O PRO A 106 -15.225 -20.987 12.989 1.00 10.00 O ATOM 1532 CB PRO A 106 -13.543 -18.511 13.863 1.00 10.00 C ATOM 1533 CG PRO A 106 -13.464 -18.231 12.397 1.00 10.00 C ATOM 1534 CD PRO A 106 -12.479 -19.212 11.817 1.00 10.00 C ATOM 0 HA PRO A 106 -12.757 -20.266 14.913 1.00 10.00 H new ATOM 0 HB2 PRO A 106 -14.522 -18.247 14.263 1.00 10.00 H new ATOM 0 HB3 PRO A 106 -12.805 -17.930 14.417 1.00 10.00 H new ATOM 0 HG2 PRO A 106 -14.442 -18.343 11.929 1.00 10.00 H new ATOM 0 HG3 PRO A 106 -13.140 -17.206 12.216 1.00 10.00 H new ATOM 0 HD2 PRO A 106 -12.774 -19.532 10.818 1.00 10.00 H new ATOM 0 HD3 PRO A 106 -11.483 -18.777 11.732 1.00 10.00 H new ATOM 1542 N ALA A 107 -15.003 -21.255 15.158 1.00 10.00 N ATOM 1543 CA ALA A 107 -16.275 -22.030 15.238 1.00 10.00 C ATOM 1544 C ALA A 107 -17.249 -21.346 16.200 1.00 10.00 C ATOM 1545 O ALA A 107 -18.307 -21.863 16.500 1.00 10.00 O ATOM 1546 CB ALA A 107 -15.867 -23.404 15.770 1.00 50.00 C ATOM 0 H ALA A 107 -14.515 -21.128 16.044 1.00 10.00 H new ATOM 0 HA ALA A 107 -16.779 -22.101 14.274 1.00 10.00 H new ATOM 0 HB1 ALA A 107 -16.750 -24.037 15.858 1.00 50.00 H new ATOM 0 HB2 ALA A 107 -15.158 -23.864 15.082 1.00 50.00 H new ATOM 0 HB3 ALA A 107 -15.402 -23.292 16.749 1.00 50.00 H new ATOM 1552 N ALA A 108 -16.900 -20.186 16.685 1.00 10.00 N ATOM 1553 CA ALA A 108 -17.805 -19.468 17.628 1.00 10.00 C ATOM 1554 C ALA A 108 -18.075 -18.048 17.120 1.00 10.00 C ATOM 1555 O ALA A 108 -17.198 -17.388 16.600 1.00 10.00 O ATOM 1556 CB ALA A 108 -17.045 -19.430 18.954 1.00 50.00 C ATOM 0 H ALA A 108 -16.027 -19.704 16.469 1.00 10.00 H new ATOM 0 HA ALA A 108 -18.773 -19.959 17.729 1.00 10.00 H new ATOM 0 HB1 ALA A 108 -17.646 -18.916 19.703 1.00 50.00 H new ATOM 0 HB2 ALA A 108 -16.843 -20.448 19.287 1.00 50.00 H new ATOM 0 HB3 ALA A 108 -16.103 -18.899 18.818 1.00 50.00 H new ATOM 1562 N ASP A 109 -19.282 -17.573 17.267 1.00 50.00 N ATOM 1563 CA ASP A 109 -19.603 -16.195 16.792 1.00 50.00 C ATOM 1564 C ASP A 109 -18.579 -15.198 17.340 1.00 50.00 C ATOM 1565 O ASP A 109 -17.705 -14.738 16.631 1.00 50.00 O ATOM 1566 CB ASP A 109 -20.995 -15.897 17.349 1.00 50.00 C ATOM 1567 CG ASP A 109 -22.056 -16.414 16.376 1.00 50.00 C ATOM 1568 OD1 ASP A 109 -22.071 -17.607 16.127 1.00 50.00 O ATOM 1569 OD2 ASP A 109 -22.835 -15.606 15.896 1.00 50.00 O ATOM 0 H ASP A 109 -20.059 -18.078 17.694 1.00 50.00 H new ATOM 0 HA ASP A 109 -19.575 -16.115 15.705 1.00 50.00 H new ATOM 0 HB2 ASP A 109 -21.118 -16.371 18.323 1.00 50.00 H new ATOM 0 HB3 ASP A 109 -21.116 -14.824 17.499 1.00 50.00 H new ATOM 1574 N GLU A 110 -18.679 -14.859 18.597 1.00 10.00 N ATOM 1575 CA GLU A 110 -17.709 -13.894 19.189 1.00 10.00 C ATOM 1576 C GLU A 110 -16.461 -14.635 19.673 1.00 10.00 C ATOM 1577 O GLU A 110 -16.536 -15.519 20.504 1.00 10.00 O ATOM 1578 CB GLU A 110 -18.449 -13.261 20.368 1.00 10.00 C ATOM 1579 CG GLU A 110 -19.556 -12.344 19.843 1.00 10.00 C ATOM 1580 CD GLU A 110 -19.064 -10.895 19.852 1.00 50.00 C ATOM 1581 OE1 GLU A 110 -18.153 -10.594 19.098 1.00 50.00 O ATOM 1582 OE2 GLU A 110 -19.606 -10.111 20.614 1.00 50.00 O ATOM 0 H GLU A 110 -19.390 -15.209 19.239 1.00 10.00 H new ATOM 0 HA GLU A 110 -17.377 -13.146 18.469 1.00 10.00 H new ATOM 0 HB2 GLU A 110 -18.876 -14.038 21.002 1.00 10.00 H new ATOM 0 HB3 GLU A 110 -17.753 -12.692 20.985 1.00 10.00 H new ATOM 0 HG2 GLU A 110 -19.837 -12.638 18.832 1.00 10.00 H new ATOM 0 HG3 GLU A 110 -20.448 -12.441 20.463 1.00 10.00 H new ATOM 1589 N VAL A 111 -15.313 -14.286 19.159 1.00 10.00 N ATOM 1590 CA VAL A 111 -14.065 -14.977 19.591 1.00 10.00 C ATOM 1591 C VAL A 111 -12.936 -13.963 19.800 1.00 10.00 C ATOM 1592 O VAL A 111 -12.912 -12.911 19.192 1.00 10.00 O ATOM 1593 CB VAL A 111 -13.724 -15.928 18.443 1.00 12.50 C ATOM 1594 CG1 VAL A 111 -12.483 -16.745 18.809 1.00 12.50 C ATOM 1595 CG2 VAL A 111 -14.902 -16.872 18.194 1.00 12.50 C ATOM 0 H VAL A 111 -15.185 -13.554 18.460 1.00 10.00 H new ATOM 0 HA VAL A 111 -14.193 -15.504 20.537 1.00 10.00 H new ATOM 0 HB VAL A 111 -13.525 -15.351 17.540 1.00 12.50 H new ATOM 0 HG11 VAL A 111 -12.240 -17.423 17.991 1.00 12.50 H new ATOM 0 HG12 VAL A 111 -11.643 -16.072 18.985 1.00 12.50 H new ATOM 0 HG13 VAL A 111 -12.681 -17.322 19.712 1.00 12.50 H new ATOM 0 HG21 VAL A 111 -14.659 -17.550 17.376 1.00 12.50 H new ATOM 0 HG22 VAL A 111 -15.102 -17.450 19.096 1.00 12.50 H new ATOM 0 HG23 VAL A 111 -15.786 -16.290 17.932 1.00 12.50 H new ATOM 1605 N LYS A 112 -11.999 -14.275 20.653 1.00 10.00 N ATOM 1606 CA LYS A 112 -10.869 -13.334 20.900 1.00 10.00 C ATOM 1607 C LYS A 112 -9.533 -14.050 20.674 1.00 10.00 C ATOM 1608 O LYS A 112 -9.343 -15.172 21.096 1.00 10.00 O ATOM 1609 CB LYS A 112 -11.011 -12.918 22.364 1.00 25.00 C ATOM 1610 CG LYS A 112 -12.379 -12.267 22.581 1.00 25.00 C ATOM 1611 CD LYS A 112 -12.200 -10.945 23.330 1.00 25.00 C ATOM 1612 CE LYS A 112 -13.303 -10.798 24.380 1.00 25.00 C ATOM 1613 NZ LYS A 112 -13.218 -9.378 24.825 1.00 25.00 N ATOM 0 H LYS A 112 -11.967 -15.142 21.190 1.00 10.00 H new ATOM 0 HA LYS A 112 -10.891 -12.475 20.230 1.00 10.00 H new ATOM 0 HB2 LYS A 112 -10.904 -13.788 23.012 1.00 25.00 H new ATOM 0 HB3 LYS A 112 -10.218 -12.220 22.633 1.00 25.00 H new ATOM 0 HG2 LYS A 112 -12.866 -12.091 21.622 1.00 25.00 H new ATOM 0 HG3 LYS A 112 -13.026 -12.935 23.150 1.00 25.00 H new ATOM 0 HD2 LYS A 112 -11.221 -10.916 23.809 1.00 25.00 H new ATOM 0 HD3 LYS A 112 -12.237 -10.111 22.630 1.00 25.00 H new ATOM 0 HE2 LYS A 112 -14.283 -11.023 23.959 1.00 25.00 H new ATOM 0 HE3 LYS A 112 -13.150 -11.484 25.213 1.00 25.00 H new ATOM 0 HZ1 LYS A 112 -13.944 -9.196 25.547 1.00 25.00 H new ATOM 0 HZ2 LYS A 112 -12.276 -9.196 25.227 1.00 25.00 H new ATOM 0 HZ3 LYS A 112 -13.374 -8.749 24.011 1.00 25.00 H new ATOM 1627 N ILE A 113 -8.608 -13.411 20.010 1.00 10.00 N ATOM 1628 CA ILE A 113 -7.286 -14.054 19.759 1.00 10.00 C ATOM 1629 C ILE A 113 -6.229 -13.001 19.424 1.00 10.00 C ATOM 1630 O ILE A 113 -6.535 -11.924 18.953 1.00 10.00 O ATOM 1631 CB ILE A 113 -7.510 -14.985 18.567 1.00 10.00 C ATOM 1632 CG1 ILE A 113 -6.201 -15.702 18.227 1.00 10.00 C ATOM 1633 CG2 ILE A 113 -7.970 -14.167 17.360 1.00 10.00 C ATOM 1634 CD1 ILE A 113 -6.411 -16.598 17.004 1.00 10.00 C ATOM 0 H ILE A 113 -8.711 -12.470 19.630 1.00 10.00 H new ATOM 0 HA ILE A 113 -6.925 -14.593 20.635 1.00 10.00 H new ATOM 0 HB ILE A 113 -8.273 -15.721 18.820 1.00 10.00 H new ATOM 0 HG12 ILE A 113 -5.416 -14.973 18.026 1.00 10.00 H new ATOM 0 HG13 ILE A 113 -5.870 -16.300 19.076 1.00 10.00 H new ATOM 0 HG21 ILE A 113 -8.130 -14.831 16.510 1.00 10.00 H new ATOM 0 HG22 ILE A 113 -8.902 -13.655 17.601 1.00 10.00 H new ATOM 0 HG23 ILE A 113 -7.207 -13.431 17.107 1.00 10.00 H new ATOM 0 HD11 ILE A 113 -5.479 -17.108 16.762 1.00 10.00 H new ATOM 0 HD12 ILE A 113 -7.183 -17.336 17.222 1.00 10.00 H new ATOM 0 HD13 ILE A 113 -6.721 -15.988 16.155 1.00 10.00 H new ATOM 1646 N VAL A 114 -4.984 -13.313 19.655 1.00 10.00 N ATOM 1647 CA VAL A 114 -3.898 -12.344 19.344 1.00 10.00 C ATOM 1648 C VAL A 114 -3.136 -12.823 18.101 1.00 10.00 C ATOM 1649 O VAL A 114 -2.972 -14.010 17.884 1.00 10.00 O ATOM 1650 CB VAL A 114 -3.016 -12.338 20.606 1.00 50.00 C ATOM 1651 CG1 VAL A 114 -1.529 -12.434 20.243 1.00 50.00 C ATOM 1652 CG2 VAL A 114 -3.254 -11.041 21.382 1.00 50.00 C ATOM 0 H VAL A 114 -4.672 -14.201 20.047 1.00 10.00 H new ATOM 0 HA VAL A 114 -4.254 -11.339 19.115 1.00 10.00 H new ATOM 0 HB VAL A 114 -3.283 -13.203 21.214 1.00 50.00 H new ATOM 0 HG11 VAL A 114 -0.931 -12.428 21.154 1.00 50.00 H new ATOM 0 HG12 VAL A 114 -1.347 -13.359 19.696 1.00 50.00 H new ATOM 0 HG13 VAL A 114 -1.251 -11.584 19.620 1.00 50.00 H new ATOM 0 HG21 VAL A 114 -2.631 -11.033 22.277 1.00 50.00 H new ATOM 0 HG22 VAL A 114 -2.997 -10.188 20.753 1.00 50.00 H new ATOM 0 HG23 VAL A 114 -4.303 -10.977 21.670 1.00 50.00 H new ATOM 1662 N TYR A 115 -2.676 -11.916 17.281 1.00 10.00 N ATOM 1663 CA TYR A 115 -1.938 -12.331 16.054 1.00 10.00 C ATOM 1664 C TYR A 115 -0.427 -12.106 16.233 1.00 10.00 C ATOM 1665 O TYR A 115 -0.003 -11.256 16.992 1.00 10.00 O ATOM 1666 CB TYR A 115 -2.532 -11.465 14.927 1.00 50.00 C ATOM 1667 CG TYR A 115 -1.687 -10.235 14.669 1.00 50.00 C ATOM 1668 CD1 TYR A 115 -1.543 -9.253 15.658 1.00 50.00 C ATOM 1669 CD2 TYR A 115 -1.051 -10.078 13.430 1.00 50.00 C ATOM 1670 CE1 TYR A 115 -0.765 -8.117 15.409 1.00 50.00 C ATOM 1671 CE2 TYR A 115 -0.272 -8.941 13.182 1.00 50.00 C ATOM 1672 CZ TYR A 115 -0.128 -7.961 14.171 1.00 50.00 C ATOM 1673 OH TYR A 115 0.638 -6.841 13.927 1.00 50.00 O ATOM 0 H TYR A 115 -2.779 -10.909 17.408 1.00 10.00 H new ATOM 0 HA TYR A 115 -2.047 -13.392 15.831 1.00 10.00 H new ATOM 0 HB2 TYR A 115 -2.606 -12.055 14.014 1.00 50.00 H new ATOM 0 HB3 TYR A 115 -3.545 -11.163 15.194 1.00 50.00 H new ATOM 0 HD1 TYR A 115 -2.033 -9.373 16.613 1.00 50.00 H new ATOM 0 HD2 TYR A 115 -1.162 -10.834 12.667 1.00 50.00 H new ATOM 0 HE1 TYR A 115 -0.655 -7.360 16.172 1.00 50.00 H new ATOM 0 HE2 TYR A 115 0.218 -8.820 12.227 1.00 50.00 H new ATOM 0 HH TYR A 115 0.468 -6.171 14.621 1.00 50.00 H new ATOM 1683 N ASN A 116 0.378 -12.880 15.546 1.00 10.00 N ATOM 1684 CA ASN A 116 1.864 -12.745 15.666 1.00 10.00 C ATOM 1685 C ASN A 116 2.345 -13.364 16.981 1.00 10.00 C ATOM 1686 O ASN A 116 2.943 -12.703 17.807 1.00 10.00 O ATOM 1687 CB ASN A 116 2.158 -11.241 15.641 1.00 10.00 C ATOM 1688 CG ASN A 116 3.221 -10.947 14.580 1.00 10.00 C ATOM 1689 OD1 ASN A 116 3.210 -9.898 13.967 1.00 10.00 O ATOM 1690 ND2 ASN A 116 4.145 -11.835 14.335 1.00 10.00 N ATOM 0 H ASN A 116 0.066 -13.606 14.901 1.00 10.00 H new ATOM 0 HA ASN A 116 2.380 -13.262 14.857 1.00 10.00 H new ATOM 0 HB2 ASN A 116 1.246 -10.685 15.422 1.00 10.00 H new ATOM 0 HB3 ASN A 116 2.505 -10.911 16.620 1.00 10.00 H new ATOM 0 HD21 ASN A 116 4.857 -11.648 13.629 1.00 10.00 H new ATOM 0 HD22 ASN A 116 4.155 -12.716 14.849 1.00 10.00 H new ATOM 1697 N ALA A 117 2.091 -14.630 17.181 1.00 10.00 N ATOM 1698 CA ALA A 117 2.539 -15.288 18.444 1.00 10.00 C ATOM 1699 C ALA A 117 4.020 -15.658 18.355 1.00 10.00 C ATOM 1700 O ALA A 117 4.705 -15.749 19.354 1.00 10.00 O ATOM 1701 CB ALA A 117 1.683 -16.548 18.568 1.00 50.00 C ATOM 0 H ALA A 117 1.595 -15.235 16.527 1.00 10.00 H new ATOM 0 HA ALA A 117 2.425 -14.632 19.307 1.00 10.00 H new ATOM 0 HB1 ALA A 117 1.956 -17.086 19.476 1.00 50.00 H new ATOM 0 HB2 ALA A 117 0.630 -16.270 18.614 1.00 50.00 H new ATOM 0 HB3 ALA A 117 1.851 -17.189 17.702 1.00 50.00 H new ATOM 1732 N HIS A 119 6.331 -14.165 18.238 1.00 50.00 N ATOM 1733 CA HIS A 119 7.102 -13.251 19.127 1.00 50.00 C ATOM 1734 C HIS A 119 7.258 -13.887 20.511 1.00 50.00 C ATOM 1735 O HIS A 119 8.129 -13.526 21.277 1.00 50.00 O ATOM 1736 CB HIS A 119 6.257 -11.979 19.210 1.00 50.00 C ATOM 1737 CG HIS A 119 6.337 -11.233 17.905 1.00 50.00 C ATOM 1738 ND1 HIS A 119 7.548 -10.880 17.330 1.00 50.00 N ATOM 1739 CD2 HIS A 119 5.366 -10.765 17.052 1.00 50.00 C ATOM 1740 CE1 HIS A 119 7.278 -10.229 16.184 1.00 50.00 C ATOM 1741 NE2 HIS A 119 5.964 -10.131 15.967 1.00 50.00 N ATOM 0 HA HIS A 119 8.105 -13.047 18.752 1.00 50.00 H new ATOM 0 HB2 HIS A 119 5.221 -12.233 19.432 1.00 50.00 H new ATOM 0 HB3 HIS A 119 6.612 -11.347 20.024 1.00 50.00 H new ATOM 0 HD1 HIS A 119 8.475 -11.078 17.707 1.00 50.00 H new ATOM 0 HD2 HIS A 119 4.302 -10.873 17.201 1.00 50.00 H new ATOM 0 HE1 HIS A 119 8.032 -9.834 15.520 1.00 50.00 H new ATOM 1749 N LEU A 120 6.416 -14.831 20.834 1.00 12.50 N ATOM 1750 CA LEU A 120 6.510 -15.494 22.167 1.00 12.50 C ATOM 1751 C LEU A 120 7.972 -15.790 22.514 1.00 12.50 C ATOM 1752 O LEU A 120 8.801 -15.977 21.645 1.00 12.50 O ATOM 1753 CB LEU A 120 5.724 -16.798 22.016 1.00 12.50 C ATOM 1754 CG LEU A 120 4.515 -16.778 22.954 1.00 12.50 C ATOM 1755 CD1 LEU A 120 3.346 -17.513 22.294 1.00 12.50 C ATOM 1756 CD2 LEU A 120 4.877 -17.473 24.268 1.00 12.50 C ATOM 0 H LEU A 120 5.666 -15.172 20.232 1.00 12.50 H new ATOM 0 HA LEU A 120 6.116 -14.867 22.966 1.00 12.50 H new ATOM 0 HB2 LEU A 120 5.395 -16.919 20.984 1.00 12.50 H new ATOM 0 HB3 LEU A 120 6.364 -17.649 22.248 1.00 12.50 H new ATOM 0 HG LEU A 120 4.229 -15.746 23.156 1.00 12.50 H new ATOM 0 HD11 LEU A 120 2.484 -17.499 22.961 1.00 12.50 H new ATOM 0 HD12 LEU A 120 3.088 -17.019 21.358 1.00 12.50 H new ATOM 0 HD13 LEU A 120 3.632 -18.545 22.092 1.00 12.50 H new ATOM 0 HD21 LEU A 120 4.016 -17.459 24.936 1.00 12.50 H new ATOM 0 HD22 LEU A 120 5.163 -18.505 24.067 1.00 12.50 H new ATOM 0 HD23 LEU A 120 5.710 -16.951 24.738 1.00 12.50 H new