USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 945 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 127 ASN : amide:sc= 1.08 K(o=2.2,f=-0.49) USER MOD Set 1.2: A 144 ASN : amide:sc= 1.11 K(o=2.2,f=-0.85) USER MOD Set 2.1: A 119 HIS : no HD1:sc= 0.695 K(o=3.3,f=-7.1!) USER MOD Set 2.2: A 131 HIS : no HD1:sc= 1.65 K(o=3.3,f=-13!) USER MOD Set 2.3: A 141 SER OG : rot -136:sc= 0.932 USER MOD Set 3.1: A 47 GLN : amide:sc= 0.896 K(o=1,f=-0.87) USER MOD Set 3.2: A 79 GLN : amide:sc= 0.136 K(o=1,f=-0.87!) USER MOD Set 4.1: A 56 TYR OH : rot -166:sc= 0.0948 USER MOD Set 4.2: A 68 CYS SG : rot 82:sc= -0.16! USER MOD Set 4.3: A 88 THR OG1 : rot 164:sc= -1.55! USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 142:sc= -1.01 (180deg=-4.72!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -45:sc= 0.412 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.312 USER MOD Single : A 63 LYS NZ :NH3+ -163:sc= 0.867 (180deg=0.671) USER MOD Single : A 64 LYS NZ :NH3+ 162:sc= -0.0657 (180deg=-0.378) USER MOD Single : A 69 SER OG : rot 115:sc= 1.14 USER MOD Single : A 73 GLN : amide:sc= -0.342 K(o=-0.34,f=-9.6!) USER MOD Single : A 75 THR OG1 : rot 73:sc= 0.864 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= 1.32 K(o=1.3,f=-5.9!) USER MOD Single : A 92 GLN : amide:sc= -1.02 X(o=-1,f=-1.1) USER MOD Single : A 94 MET CE :methyl -160:sc= -0.207 (180deg=-0.792) USER MOD Single : A 96 LYS NZ :NH3+ -166:sc= -0.0142 (180deg=-0.191) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 54:sc= 0.0792 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 THR OG1 : rot -105:sc= 0.929 USER MOD Single : A 123 TYR OH : rot 180:sc= 0.416 USER MOD Single : A 126 ASN : amide:sc= -1.01 K(o=-1,f=-0.0078) USER MOD Single : A 128 GLN : amide:sc= -0.517 K(o=-0.52,f=0) USER MOD Single : A 133 SER OG : rot 41:sc= 0.534 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 142 SER OG : rot 170:sc= -2.63! USER MOD Single : A 143 MET CE :methyl -170:sc=-0.00805 (180deg=-0.164) USER MOD Single : A 147 TYR OH : rot 180:sc= 0 USER MOD Single : A 149 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00381) USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 TYR OH : rot 180:sc= 0 USER MOD Single : A 153 ASN : amide:sc= -2.1! C(o=-2.1!,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 50 N ASP A 39 -9.019 -14.110 4.031 1.00 52.51 N ATOM 51 CA ASP A 39 -9.232 -13.388 2.771 1.00 0.04 C ATOM 52 C ASP A 39 -8.503 -12.029 2.770 1.00 51.23 C ATOM 53 O ASP A 39 -9.013 -11.030 3.272 1.00 42.10 O ATOM 54 CB ASP A 39 -10.739 -13.217 2.505 1.00 65.42 C ATOM 55 CG ASP A 39 -11.515 -12.834 3.756 1.00 25.15 C ATOM 56 OD1 ASP A 39 -11.648 -11.629 4.044 1.00 14.10 O ATOM 57 OD2 ASP A 39 -11.994 -13.747 4.463 1.00 71.23 O ATOM 0 HA ASP A 39 -8.805 -13.980 1.961 1.00 0.04 H new ATOM 0 HB2 ASP A 39 -10.885 -12.451 1.743 1.00 65.42 H new ATOM 0 HB3 ASP A 39 -11.141 -14.147 2.103 1.00 65.42 H new ATOM 62 N VAL A 40 -7.294 -12.016 2.207 1.00 44.31 N ATOM 63 CA VAL A 40 -6.446 -10.817 2.188 1.00 65.23 C ATOM 64 C VAL A 40 -7.154 -9.602 1.561 1.00 42.20 C ATOM 65 O VAL A 40 -7.161 -8.513 2.138 1.00 41.53 O ATOM 66 CB VAL A 40 -5.122 -11.088 1.425 1.00 40.23 C ATOM 67 CG1 VAL A 40 -4.273 -9.822 1.317 1.00 15.41 C ATOM 68 CG2 VAL A 40 -4.334 -12.210 2.105 1.00 45.44 C ATOM 0 H VAL A 40 -6.875 -12.828 1.754 1.00 44.31 H new ATOM 0 HA VAL A 40 -6.230 -10.580 3.230 1.00 65.23 H new ATOM 0 HB VAL A 40 -5.376 -11.404 0.413 1.00 40.23 H new ATOM 0 HG11 VAL A 40 -3.353 -10.046 0.777 1.00 15.41 H new ATOM 0 HG12 VAL A 40 -4.831 -9.055 0.780 1.00 15.41 H new ATOM 0 HG13 VAL A 40 -4.029 -9.461 2.316 1.00 15.41 H new ATOM 0 HG21 VAL A 40 -3.408 -12.388 1.558 1.00 45.44 H new ATOM 0 HG22 VAL A 40 -4.100 -11.921 3.130 1.00 45.44 H new ATOM 0 HG23 VAL A 40 -4.932 -13.121 2.113 1.00 45.44 H new ATOM 78 N LYS A 41 -7.759 -9.797 0.391 1.00 65.22 N ATOM 79 CA LYS A 41 -8.388 -8.690 -0.340 1.00 34.01 C ATOM 80 C LYS A 41 -9.536 -8.054 0.461 1.00 34.42 C ATOM 81 O LYS A 41 -9.525 -6.849 0.729 1.00 43.22 O ATOM 82 CB LYS A 41 -8.898 -9.173 -1.706 1.00 22.13 C ATOM 83 CG LYS A 41 -9.334 -8.042 -2.634 1.00 30.41 C ATOM 84 CD LYS A 41 -9.853 -8.571 -3.969 1.00 72.53 C ATOM 85 CE LYS A 41 -10.203 -7.441 -4.930 1.00 71.21 C ATOM 86 NZ LYS A 41 -10.763 -7.956 -6.207 1.00 21.44 N ATOM 0 H LYS A 41 -7.829 -10.703 -0.072 1.00 65.22 H new ATOM 0 HA LYS A 41 -7.627 -7.924 -0.492 1.00 34.01 H new ATOM 0 HB2 LYS A 41 -8.112 -9.749 -2.194 1.00 22.13 H new ATOM 0 HB3 LYS A 41 -9.739 -9.849 -1.551 1.00 22.13 H new ATOM 0 HG2 LYS A 41 -10.113 -7.454 -2.149 1.00 30.41 H new ATOM 0 HG3 LYS A 41 -8.492 -7.372 -2.811 1.00 30.41 H new ATOM 0 HD2 LYS A 41 -9.098 -9.213 -4.423 1.00 72.53 H new ATOM 0 HD3 LYS A 41 -10.735 -9.188 -3.797 1.00 72.53 H new ATOM 0 HE2 LYS A 41 -10.925 -6.774 -4.459 1.00 71.21 H new ATOM 0 HE3 LYS A 41 -9.311 -6.850 -5.137 1.00 71.21 H new ATOM 0 HZ1 LYS A 41 -10.989 -7.158 -6.834 1.00 21.44 H new ATOM 0 HZ2 LYS A 41 -10.064 -8.572 -6.669 1.00 21.44 H new ATOM 0 HZ3 LYS A 41 -11.629 -8.499 -6.013 1.00 21.44 H new ATOM 100 N SER A 42 -10.525 -8.862 0.845 1.00 22.51 N ATOM 101 CA SER A 42 -11.667 -8.372 1.634 1.00 60.15 C ATOM 102 C SER A 42 -11.213 -7.777 2.974 1.00 22.14 C ATOM 103 O SER A 42 -11.754 -6.771 3.427 1.00 40.41 O ATOM 104 CB SER A 42 -12.682 -9.493 1.886 1.00 61.23 C ATOM 105 OG SER A 42 -13.201 -10.009 0.670 1.00 2.45 O ATOM 0 H SER A 42 -10.563 -9.857 0.625 1.00 22.51 H new ATOM 0 HA SER A 42 -12.144 -7.585 1.050 1.00 60.15 H new ATOM 0 HB2 SER A 42 -12.206 -10.296 2.449 1.00 61.23 H new ATOM 0 HB3 SER A 42 -13.499 -9.114 2.500 1.00 61.23 H new ATOM 0 HG SER A 42 -13.844 -10.723 0.865 1.00 2.45 H new ATOM 111 N ARG A 43 -10.219 -8.407 3.603 1.00 41.10 N ATOM 112 CA ARG A 43 -9.635 -7.907 4.849 1.00 63.25 C ATOM 113 C ARG A 43 -9.193 -6.436 4.707 1.00 60.43 C ATOM 114 O ARG A 43 -9.564 -5.574 5.509 1.00 31.31 O ATOM 115 CB ARG A 43 -8.427 -8.783 5.233 1.00 13.01 C ATOM 116 CG ARG A 43 -8.395 -9.193 6.702 1.00 71.11 C ATOM 117 CD ARG A 43 -8.804 -10.650 6.909 1.00 33.23 C ATOM 118 NE ARG A 43 -10.156 -10.931 6.425 1.00 63.02 N ATOM 119 CZ ARG A 43 -11.188 -11.134 7.200 1.00 42.13 C ATOM 120 NH1 ARG A 43 -11.088 -11.000 8.486 1.00 50.44 N ATOM 121 NH2 ARG A 43 -12.325 -11.457 6.675 1.00 0.54 N ATOM 0 H ARG A 43 -9.798 -9.273 3.266 1.00 41.10 H new ATOM 0 HA ARG A 43 -10.392 -7.956 5.631 1.00 63.25 H new ATOM 0 HB2 ARG A 43 -8.433 -9.682 4.616 1.00 13.01 H new ATOM 0 HB3 ARG A 43 -7.510 -8.242 4.998 1.00 13.01 H new ATOM 0 HG2 ARG A 43 -7.391 -9.041 7.097 1.00 71.11 H new ATOM 0 HG3 ARG A 43 -9.063 -8.547 7.271 1.00 71.11 H new ATOM 0 HD2 ARG A 43 -8.096 -11.299 6.393 1.00 33.23 H new ATOM 0 HD3 ARG A 43 -8.745 -10.893 7.970 1.00 33.23 H new ATOM 0 HE ARG A 43 -10.302 -10.971 5.416 1.00 63.02 H new ATOM 0 HH11 ARG A 43 -10.196 -10.733 8.903 1.00 50.44 H new ATOM 0 HH12 ARG A 43 -11.901 -11.161 9.080 1.00 50.44 H new ATOM 0 HH21 ARG A 43 -12.411 -11.552 5.663 1.00 0.54 H new ATOM 0 HH22 ARG A 43 -13.136 -11.617 7.273 1.00 0.54 H new ATOM 135 N ILE A 44 -8.404 -6.164 3.666 1.00 25.54 N ATOM 136 CA ILE A 44 -7.878 -4.817 3.413 1.00 42.40 C ATOM 137 C ILE A 44 -8.992 -3.843 2.987 1.00 54.13 C ATOM 138 O ILE A 44 -9.042 -2.701 3.451 1.00 50.32 O ATOM 139 CB ILE A 44 -6.777 -4.857 2.322 1.00 51.43 C ATOM 140 CG1 ILE A 44 -5.655 -5.825 2.742 1.00 3.11 C ATOM 141 CG2 ILE A 44 -6.214 -3.456 2.063 1.00 62.14 C ATOM 142 CD1 ILE A 44 -4.615 -6.062 1.666 1.00 72.11 C ATOM 0 H ILE A 44 -8.113 -6.861 2.980 1.00 25.54 H new ATOM 0 HA ILE A 44 -7.448 -4.457 4.348 1.00 42.40 H new ATOM 0 HB ILE A 44 -7.221 -5.216 1.393 1.00 51.43 H new ATOM 0 HG12 ILE A 44 -5.161 -5.430 3.630 1.00 3.11 H new ATOM 0 HG13 ILE A 44 -6.099 -6.781 3.022 1.00 3.11 H new ATOM 0 HG21 ILE A 44 -5.443 -3.510 1.294 1.00 62.14 H new ATOM 0 HG22 ILE A 44 -7.016 -2.798 1.728 1.00 62.14 H new ATOM 0 HG23 ILE A 44 -5.782 -3.062 2.983 1.00 62.14 H new ATOM 0 HD11 ILE A 44 -3.859 -6.754 2.037 1.00 72.11 H new ATOM 0 HD12 ILE A 44 -5.094 -6.487 0.784 1.00 72.11 H new ATOM 0 HD13 ILE A 44 -4.143 -5.116 1.402 1.00 72.11 H new ATOM 154 N MET A 45 -9.887 -4.300 2.113 1.00 24.45 N ATOM 155 CA MET A 45 -11.021 -3.478 1.657 1.00 53.33 C ATOM 156 C MET A 45 -11.954 -3.117 2.823 1.00 10.35 C ATOM 157 O MET A 45 -12.492 -2.009 2.887 1.00 3.24 O ATOM 158 CB MET A 45 -11.809 -4.214 0.562 1.00 13.45 C ATOM 159 CG MET A 45 -11.017 -4.510 -0.711 1.00 31.42 C ATOM 160 SD MET A 45 -10.778 -3.069 -1.781 1.00 20.24 S ATOM 161 CE MET A 45 -9.391 -2.230 -1.011 1.00 63.22 C ATOM 0 H MET A 45 -9.854 -5.233 1.703 1.00 24.45 H new ATOM 0 HA MET A 45 -10.617 -2.553 1.246 1.00 53.33 H new ATOM 0 HB2 MET A 45 -12.178 -5.155 0.970 1.00 13.45 H new ATOM 0 HB3 MET A 45 -12.682 -3.617 0.299 1.00 13.45 H new ATOM 0 HG2 MET A 45 -10.042 -4.911 -0.435 1.00 31.42 H new ATOM 0 HG3 MET A 45 -11.533 -5.287 -1.275 1.00 31.42 H new ATOM 0 HE1 MET A 45 -8.741 -1.818 -1.783 1.00 63.22 H new ATOM 0 HE2 MET A 45 -9.760 -1.423 -0.378 1.00 63.22 H new ATOM 0 HE3 MET A 45 -8.828 -2.939 -0.404 1.00 63.22 H new ATOM 171 N ASP A 46 -12.138 -4.060 3.746 1.00 24.20 N ATOM 172 CA ASP A 46 -12.956 -3.834 4.938 1.00 14.13 C ATOM 173 C ASP A 46 -12.375 -2.688 5.784 1.00 35.33 C ATOM 174 O ASP A 46 -13.103 -1.788 6.216 1.00 15.20 O ATOM 175 CB ASP A 46 -13.046 -5.125 5.762 1.00 13.14 C ATOM 176 CG ASP A 46 -14.012 -5.007 6.928 1.00 1.52 C ATOM 177 OD1 ASP A 46 -15.236 -5.056 6.696 1.00 71.04 O ATOM 178 OD2 ASP A 46 -13.553 -4.855 8.081 1.00 21.35 O ATOM 0 H ASP A 46 -11.729 -4.993 3.691 1.00 24.20 H new ATOM 0 HA ASP A 46 -13.960 -3.547 4.626 1.00 14.13 H new ATOM 0 HB2 ASP A 46 -13.361 -5.943 5.115 1.00 13.14 H new ATOM 0 HB3 ASP A 46 -12.056 -5.381 6.140 1.00 13.14 H new ATOM 183 N GLN A 47 -11.060 -2.716 5.996 1.00 0.22 N ATOM 184 CA GLN A 47 -10.375 -1.646 6.734 1.00 21.21 C ATOM 185 C GLN A 47 -10.382 -0.320 5.945 1.00 32.25 C ATOM 186 O GLN A 47 -10.508 0.761 6.528 1.00 55.42 O ATOM 187 CB GLN A 47 -8.925 -2.042 7.055 1.00 63.12 C ATOM 188 CG GLN A 47 -8.198 -1.006 7.909 1.00 4.42 C ATOM 189 CD GLN A 47 -8.706 -0.962 9.342 1.00 41.21 C ATOM 190 OE1 GLN A 47 -9.024 -1.988 9.931 1.00 15.21 O ATOM 191 NE2 GLN A 47 -8.851 0.227 9.890 1.00 64.12 N ATOM 0 H GLN A 47 -10.446 -3.463 5.670 1.00 0.22 H new ATOM 0 HA GLN A 47 -10.922 -1.500 7.665 1.00 21.21 H new ATOM 0 HB2 GLN A 47 -8.923 -3.000 7.575 1.00 63.12 H new ATOM 0 HB3 GLN A 47 -8.378 -2.184 6.123 1.00 63.12 H new ATOM 0 HG2 GLN A 47 -7.131 -1.229 7.913 1.00 4.42 H new ATOM 0 HG3 GLN A 47 -8.316 -0.021 7.456 1.00 4.42 H new ATOM 0 HE21 GLN A 47 -8.577 1.063 9.374 1.00 64.12 H new ATOM 0 HE22 GLN A 47 -9.237 0.312 10.830 1.00 64.12 H new ATOM 200 N TYR A 48 -10.247 -0.409 4.618 1.00 74.25 N ATOM 201 CA TYR A 48 -10.239 0.781 3.748 1.00 21.41 C ATOM 202 C TYR A 48 -11.481 1.660 3.970 1.00 62.34 C ATOM 203 O TYR A 48 -11.388 2.890 3.978 1.00 1.32 O ATOM 204 CB TYR A 48 -10.143 0.363 2.270 1.00 42.44 C ATOM 205 CG TYR A 48 -10.335 1.511 1.288 1.00 31.03 C ATOM 206 CD1 TYR A 48 -9.420 2.558 1.216 1.00 21.54 C ATOM 207 CD2 TYR A 48 -11.438 1.549 0.436 1.00 74.14 C ATOM 208 CE1 TYR A 48 -9.599 3.606 0.330 1.00 74.11 C ATOM 209 CE2 TYR A 48 -11.620 2.592 -0.455 1.00 42.04 C ATOM 210 CZ TYR A 48 -10.700 3.617 -0.502 1.00 70.10 C ATOM 211 OH TYR A 48 -10.882 4.658 -1.386 1.00 35.51 O ATOM 0 H TYR A 48 -10.141 -1.292 4.118 1.00 74.25 H new ATOM 0 HA TYR A 48 -9.363 1.373 4.012 1.00 21.41 H new ATOM 0 HB2 TYR A 48 -9.168 -0.093 2.094 1.00 42.44 H new ATOM 0 HB3 TYR A 48 -10.893 -0.402 2.070 1.00 42.44 H new ATOM 0 HD1 TYR A 48 -8.555 2.552 1.863 1.00 21.54 H new ATOM 0 HD2 TYR A 48 -12.164 0.750 0.472 1.00 74.14 H new ATOM 0 HE1 TYR A 48 -8.881 4.411 0.290 1.00 74.11 H new ATOM 0 HE2 TYR A 48 -12.479 2.603 -1.110 1.00 42.04 H new ATOM 0 HH TYR A 48 -11.704 4.512 -1.898 1.00 35.51 H new ATOM 221 N ALA A 49 -12.635 1.020 4.161 1.00 71.20 N ATOM 222 CA ALA A 49 -13.897 1.732 4.404 1.00 73.15 C ATOM 223 C ALA A 49 -13.787 2.732 5.572 1.00 74.42 C ATOM 224 O ALA A 49 -14.553 3.691 5.654 1.00 54.50 O ATOM 225 CB ALA A 49 -15.021 0.733 4.665 1.00 0.24 C ATOM 0 H ALA A 49 -12.725 0.004 4.153 1.00 71.20 H new ATOM 0 HA ALA A 49 -14.125 2.308 3.507 1.00 73.15 H new ATOM 0 HB1 ALA A 49 -15.952 1.271 4.844 1.00 0.24 H new ATOM 0 HB2 ALA A 49 -15.139 0.083 3.798 1.00 0.24 H new ATOM 0 HB3 ALA A 49 -14.776 0.130 5.540 1.00 0.24 H new ATOM 231 N ASP A 50 -12.829 2.500 6.468 1.00 35.51 N ATOM 232 CA ASP A 50 -12.596 3.389 7.611 1.00 55.25 C ATOM 233 C ASP A 50 -11.650 4.542 7.230 1.00 4.21 C ATOM 234 O ASP A 50 -11.898 5.705 7.558 1.00 41.51 O ATOM 235 CB ASP A 50 -11.994 2.583 8.773 1.00 61.03 C ATOM 236 CG ASP A 50 -12.254 3.220 10.128 1.00 34.21 C ATOM 237 OD1 ASP A 50 -13.290 2.900 10.751 1.00 1.20 O ATOM 238 OD2 ASP A 50 -11.428 4.036 10.584 1.00 54.01 O ATOM 0 H ASP A 50 -12.197 1.700 6.426 1.00 35.51 H new ATOM 0 HA ASP A 50 -13.550 3.819 7.916 1.00 55.25 H new ATOM 0 HB2 ASP A 50 -12.410 1.576 8.764 1.00 61.03 H new ATOM 0 HB3 ASP A 50 -10.919 2.485 8.623 1.00 61.03 H new ATOM 243 N TRP A 51 -10.579 4.203 6.519 1.00 44.32 N ATOM 244 CA TRP A 51 -9.522 5.168 6.176 1.00 13.43 C ATOM 245 C TRP A 51 -9.879 6.053 4.962 1.00 13.52 C ATOM 246 O TRP A 51 -9.101 6.929 4.583 1.00 40.41 O ATOM 247 CB TRP A 51 -8.211 4.420 5.894 1.00 42.33 C ATOM 248 CG TRP A 51 -7.574 3.816 7.111 1.00 64.04 C ATOM 249 CD1 TRP A 51 -7.798 2.572 7.636 1.00 62.44 C ATOM 250 CD2 TRP A 51 -6.601 4.439 7.957 1.00 52.31 C ATOM 251 NE1 TRP A 51 -7.009 2.383 8.748 1.00 1.22 N ATOM 252 CE2 TRP A 51 -6.271 3.515 8.965 1.00 74.12 C ATOM 253 CE3 TRP A 51 -5.974 5.687 7.957 1.00 32.33 C ATOM 254 CZ2 TRP A 51 -5.343 3.800 9.963 1.00 23.22 C ATOM 255 CZ3 TRP A 51 -5.051 5.969 8.946 1.00 11.30 C ATOM 256 CH2 TRP A 51 -4.745 5.029 9.937 1.00 45.32 C ATOM 0 H TRP A 51 -10.413 3.261 6.164 1.00 44.32 H new ATOM 0 HA TRP A 51 -9.411 5.831 7.034 1.00 13.43 H new ATOM 0 HB2 TRP A 51 -8.405 3.630 5.169 1.00 42.33 H new ATOM 0 HB3 TRP A 51 -7.504 5.109 5.432 1.00 42.33 H new ATOM 0 HD1 TRP A 51 -8.491 1.846 7.237 1.00 62.44 H new ATOM 0 HE1 TRP A 51 -6.979 1.537 9.317 1.00 1.22 H new ATOM 0 HE3 TRP A 51 -6.206 6.419 7.197 1.00 32.33 H new ATOM 0 HZ2 TRP A 51 -5.104 3.077 10.729 1.00 23.22 H new ATOM 0 HZ3 TRP A 51 -4.558 6.930 8.954 1.00 11.30 H new ATOM 0 HH2 TRP A 51 -4.021 5.280 10.698 1.00 45.32 H new ATOM 267 N LYS A 52 -11.041 5.825 4.348 1.00 22.12 N ATOM 268 CA LYS A 52 -11.469 6.610 3.174 1.00 14.22 C ATOM 269 C LYS A 52 -11.358 8.130 3.403 1.00 51.11 C ATOM 270 O LYS A 52 -12.010 8.686 4.292 1.00 73.44 O ATOM 271 CB LYS A 52 -12.918 6.269 2.783 1.00 53.35 C ATOM 272 CG LYS A 52 -13.109 4.845 2.273 1.00 55.02 C ATOM 273 CD LYS A 52 -14.521 4.614 1.733 1.00 54.21 C ATOM 274 CE LYS A 52 -15.594 4.855 2.792 1.00 21.33 C ATOM 275 NZ LYS A 52 -16.966 4.600 2.272 1.00 73.10 N ATOM 0 H LYS A 52 -11.705 5.107 4.638 1.00 22.12 H new ATOM 0 HA LYS A 52 -10.790 6.337 2.366 1.00 14.22 H new ATOM 0 HB2 LYS A 52 -13.562 6.422 3.649 1.00 53.35 H new ATOM 0 HB3 LYS A 52 -13.248 6.966 2.013 1.00 53.35 H new ATOM 0 HG2 LYS A 52 -12.382 4.641 1.487 1.00 55.02 H new ATOM 0 HG3 LYS A 52 -12.910 4.141 3.081 1.00 55.02 H new ATOM 0 HD2 LYS A 52 -14.696 5.276 0.885 1.00 54.21 H new ATOM 0 HD3 LYS A 52 -14.603 3.592 1.362 1.00 54.21 H new ATOM 0 HE2 LYS A 52 -15.407 4.209 3.650 1.00 21.33 H new ATOM 0 HE3 LYS A 52 -15.527 5.883 3.147 1.00 21.33 H new ATOM 0 HZ1 LYS A 52 -17.661 4.776 3.025 1.00 73.10 H new ATOM 0 HZ2 LYS A 52 -17.157 5.234 1.470 1.00 73.10 H new ATOM 0 HZ3 LYS A 52 -17.040 3.611 1.957 1.00 73.10 H new ATOM 289 N GLY A 53 -10.516 8.790 2.604 1.00 35.01 N ATOM 290 CA GLY A 53 -10.446 10.250 2.618 1.00 51.22 C ATOM 291 C GLY A 53 -9.396 10.832 3.567 1.00 22.43 C ATOM 292 O GLY A 53 -9.177 12.047 3.568 1.00 72.34 O ATOM 0 H GLY A 53 -9.880 8.340 1.946 1.00 35.01 H new ATOM 0 HA2 GLY A 53 -10.236 10.600 1.607 1.00 51.22 H new ATOM 0 HA3 GLY A 53 -11.424 10.644 2.895 1.00 51.22 H new ATOM 296 N VAL A 54 -8.748 9.988 4.372 1.00 73.25 N ATOM 297 CA VAL A 54 -7.730 10.460 5.325 1.00 50.41 C ATOM 298 C VAL A 54 -6.566 11.172 4.606 1.00 63.25 C ATOM 299 O VAL A 54 -6.012 10.654 3.637 1.00 70.01 O ATOM 300 CB VAL A 54 -7.174 9.301 6.197 1.00 20.12 C ATOM 301 CG1 VAL A 54 -6.048 9.792 7.108 1.00 41.40 C ATOM 302 CG2 VAL A 54 -8.291 8.663 7.023 1.00 72.24 C ATOM 0 H VAL A 54 -8.905 8.980 4.387 1.00 73.25 H new ATOM 0 HA VAL A 54 -8.228 11.176 5.978 1.00 50.41 H new ATOM 0 HB VAL A 54 -6.764 8.544 5.528 1.00 20.12 H new ATOM 0 HG11 VAL A 54 -5.677 8.961 7.708 1.00 41.40 H new ATOM 0 HG12 VAL A 54 -5.236 10.192 6.500 1.00 41.40 H new ATOM 0 HG13 VAL A 54 -6.427 10.573 7.766 1.00 41.40 H new ATOM 0 HG21 VAL A 54 -7.880 7.854 7.627 1.00 72.24 H new ATOM 0 HG22 VAL A 54 -8.735 9.414 7.677 1.00 72.24 H new ATOM 0 HG23 VAL A 54 -9.056 8.266 6.355 1.00 72.24 H new ATOM 312 N ARG A 55 -6.220 12.367 5.090 1.00 1.44 N ATOM 313 CA ARG A 55 -5.178 13.199 4.470 1.00 11.12 C ATOM 314 C ARG A 55 -3.761 12.646 4.721 1.00 32.13 C ATOM 315 O ARG A 55 -3.568 11.729 5.520 1.00 64.30 O ATOM 316 CB ARG A 55 -5.294 14.638 4.996 1.00 51.11 C ATOM 317 CG ARG A 55 -5.056 14.773 6.498 1.00 42.13 C ATOM 318 CD ARG A 55 -5.450 16.153 7.021 1.00 61.31 C ATOM 319 NE ARG A 55 -4.785 17.238 6.301 1.00 13.41 N ATOM 320 CZ ARG A 55 -4.827 18.493 6.661 1.00 4.11 C ATOM 321 NH1 ARG A 55 -5.467 18.855 7.727 1.00 25.53 N ATOM 322 NH2 ARG A 55 -4.231 19.390 5.949 1.00 42.45 N ATOM 0 H ARG A 55 -6.648 12.785 5.916 1.00 1.44 H new ATOM 0 HA ARG A 55 -5.335 13.185 3.391 1.00 11.12 H new ATOM 0 HB2 ARG A 55 -4.577 15.266 4.467 1.00 51.11 H new ATOM 0 HB3 ARG A 55 -6.287 15.021 4.760 1.00 51.11 H new ATOM 0 HG2 ARG A 55 -5.628 14.009 7.025 1.00 42.13 H new ATOM 0 HG3 ARG A 55 -4.004 14.590 6.716 1.00 42.13 H new ATOM 0 HD2 ARG A 55 -6.530 16.275 6.937 1.00 61.31 H new ATOM 0 HD3 ARG A 55 -5.203 16.220 8.081 1.00 61.31 H new ATOM 0 HE ARG A 55 -4.254 17.000 5.463 1.00 13.41 H new ATOM 0 HH11 ARG A 55 -5.946 18.157 8.296 1.00 25.53 H new ATOM 0 HH12 ARG A 55 -5.492 19.838 7.997 1.00 25.53 H new ATOM 0 HH21 ARG A 55 -3.727 19.119 5.105 1.00 42.45 H new ATOM 0 HH22 ARG A 55 -4.264 20.370 6.231 1.00 42.45 H new ATOM 336 N TYR A 56 -2.770 13.228 4.048 1.00 62.33 N ATOM 337 CA TYR A 56 -1.394 12.713 4.084 1.00 71.13 C ATOM 338 C TYR A 56 -0.509 13.480 5.091 1.00 21.34 C ATOM 339 O TYR A 56 -0.370 14.702 5.009 1.00 54.33 O ATOM 340 CB TYR A 56 -0.786 12.803 2.676 1.00 62.03 C ATOM 341 CG TYR A 56 0.500 12.014 2.494 1.00 52.54 C ATOM 342 CD1 TYR A 56 1.736 12.558 2.832 1.00 3.11 C ATOM 343 CD2 TYR A 56 0.473 10.724 1.979 1.00 72.01 C ATOM 344 CE1 TYR A 56 2.901 11.836 2.658 1.00 55.02 C ATOM 345 CE2 TYR A 56 1.635 10.001 1.805 1.00 65.23 C ATOM 346 CZ TYR A 56 2.845 10.558 2.146 1.00 60.34 C ATOM 347 OH TYR A 56 4.002 9.831 1.979 1.00 4.21 O ATOM 0 H TYR A 56 -2.890 14.059 3.469 1.00 62.33 H new ATOM 0 HA TYR A 56 -1.431 11.675 4.415 1.00 71.13 H new ATOM 0 HB2 TYR A 56 -1.521 12.448 1.953 1.00 62.03 H new ATOM 0 HB3 TYR A 56 -0.591 13.850 2.444 1.00 62.03 H new ATOM 0 HD1 TYR A 56 1.785 13.558 3.236 1.00 3.11 H new ATOM 0 HD2 TYR A 56 -0.474 10.280 1.710 1.00 72.01 H new ATOM 0 HE1 TYR A 56 3.853 12.272 2.923 1.00 55.02 H new ATOM 0 HE2 TYR A 56 1.594 9.000 1.402 1.00 65.23 H new ATOM 0 HH TYR A 56 3.820 9.053 1.412 1.00 4.21 H new ATOM 357 N ARG A 57 0.077 12.750 6.043 1.00 3.23 N ATOM 358 CA ARG A 57 1.036 13.321 7.006 1.00 4.03 C ATOM 359 C ARG A 57 2.224 12.365 7.220 1.00 35.42 C ATOM 360 O ARG A 57 2.032 11.175 7.446 1.00 23.34 O ATOM 361 CB ARG A 57 0.348 13.610 8.348 1.00 5.44 C ATOM 362 CG ARG A 57 1.232 14.363 9.335 1.00 3.52 C ATOM 363 CD ARG A 57 0.525 14.617 10.662 1.00 31.12 C ATOM 364 NE ARG A 57 1.317 15.480 11.538 1.00 31.41 N ATOM 365 CZ ARG A 57 1.297 15.430 12.845 1.00 41.23 C ATOM 366 NH1 ARG A 57 0.543 14.578 13.463 1.00 72.51 N ATOM 367 NH2 ARG A 57 2.044 16.236 13.529 1.00 35.40 N ATOM 0 H ARG A 57 -0.095 11.753 6.172 1.00 3.23 H new ATOM 0 HA ARG A 57 1.410 14.259 6.595 1.00 4.03 H new ATOM 0 HB2 ARG A 57 -0.556 14.191 8.166 1.00 5.44 H new ATOM 0 HB3 ARG A 57 0.036 12.667 8.798 1.00 5.44 H new ATOM 0 HG2 ARG A 57 2.143 13.792 9.514 1.00 3.52 H new ATOM 0 HG3 ARG A 57 1.533 15.315 8.898 1.00 3.52 H new ATOM 0 HD2 ARG A 57 -0.445 15.079 10.476 1.00 31.12 H new ATOM 0 HD3 ARG A 57 0.335 13.667 11.161 1.00 31.12 H new ATOM 0 HE ARG A 57 1.928 16.169 11.099 1.00 31.41 H new ATOM 0 HH11 ARG A 57 -0.044 13.936 12.930 1.00 72.51 H new ATOM 0 HH12 ARG A 57 0.536 14.549 14.483 1.00 72.51 H new ATOM 0 HH21 ARG A 57 2.645 16.906 13.049 1.00 35.40 H new ATOM 0 HH22 ARG A 57 2.032 16.201 14.548 1.00 35.40 H new ATOM 381 N LEU A 58 3.451 12.891 7.178 1.00 11.21 N ATOM 382 CA LEU A 58 4.659 12.052 7.266 1.00 73.22 C ATOM 383 C LEU A 58 5.038 11.736 8.723 1.00 32.14 C ATOM 384 O LEU A 58 5.286 12.642 9.520 1.00 62.23 O ATOM 385 CB LEU A 58 5.850 12.734 6.570 1.00 2.44 C ATOM 386 CG LEU A 58 5.716 12.953 5.049 1.00 13.12 C ATOM 387 CD1 LEU A 58 4.686 14.034 4.737 1.00 25.11 C ATOM 388 CD2 LEU A 58 7.069 13.307 4.431 1.00 24.33 C ATOM 0 H LEU A 58 3.639 13.889 7.084 1.00 11.21 H new ATOM 0 HA LEU A 58 4.426 11.115 6.761 1.00 73.22 H new ATOM 0 HB2 LEU A 58 6.014 13.703 7.042 1.00 2.44 H new ATOM 0 HB3 LEU A 58 6.742 12.135 6.753 1.00 2.44 H new ATOM 0 HG LEU A 58 5.369 12.019 4.607 1.00 13.12 H new ATOM 0 HD11 LEU A 58 4.613 14.166 3.658 1.00 25.11 H new ATOM 0 HD12 LEU A 58 3.715 13.736 5.132 1.00 25.11 H new ATOM 0 HD13 LEU A 58 4.993 14.973 5.198 1.00 25.11 H new ATOM 0 HD21 LEU A 58 6.951 13.457 3.358 1.00 24.33 H new ATOM 0 HD22 LEU A 58 7.448 14.222 4.886 1.00 24.33 H new ATOM 0 HD23 LEU A 58 7.774 12.495 4.608 1.00 24.33 H new ATOM 400 N GLY A 59 5.092 10.449 9.064 1.00 4.21 N ATOM 401 CA GLY A 59 5.529 10.040 10.400 1.00 3.30 C ATOM 402 C GLY A 59 4.387 9.975 11.406 1.00 5.13 C ATOM 403 O GLY A 59 4.224 8.972 12.108 1.00 74.05 O ATOM 0 H GLY A 59 4.842 9.679 8.443 1.00 4.21 H new ATOM 0 HA2 GLY A 59 6.006 9.062 10.337 1.00 3.30 H new ATOM 0 HA3 GLY A 59 6.283 10.740 10.760 1.00 3.30 H new ATOM 407 N GLY A 60 3.601 11.050 11.488 1.00 43.22 N ATOM 408 CA GLY A 60 2.425 11.067 12.354 1.00 21.42 C ATOM 409 C GLY A 60 1.286 10.218 11.800 1.00 23.30 C ATOM 410 O GLY A 60 0.194 10.717 11.550 1.00 13.33 O ATOM 0 H GLY A 60 3.757 11.914 10.968 1.00 43.22 H new ATOM 0 HA2 GLY A 60 2.700 10.701 13.343 1.00 21.42 H new ATOM 0 HA3 GLY A 60 2.082 12.094 12.478 1.00 21.42 H new ATOM 414 N SER A 61 1.547 8.927 11.630 1.00 64.14 N ATOM 415 CA SER A 61 0.612 8.007 10.976 1.00 44.20 C ATOM 416 C SER A 61 -0.656 7.790 11.811 1.00 62.23 C ATOM 417 O SER A 61 -0.633 7.063 12.807 1.00 64.10 O ATOM 418 CB SER A 61 1.294 6.651 10.723 1.00 42.21 C ATOM 419 OG SER A 61 2.516 6.802 10.011 1.00 54.52 O ATOM 0 H SER A 61 2.412 8.484 11.940 1.00 64.14 H new ATOM 0 HA SER A 61 0.320 8.460 10.028 1.00 44.20 H new ATOM 0 HB2 SER A 61 1.486 6.157 11.675 1.00 42.21 H new ATOM 0 HB3 SER A 61 0.621 6.005 10.159 1.00 42.21 H new ATOM 0 HG SER A 61 2.387 7.430 9.270 1.00 54.52 H new ATOM 425 N THR A 62 -1.754 8.427 11.408 1.00 1.02 N ATOM 426 CA THR A 62 -3.041 8.269 12.101 1.00 23.21 C ATOM 427 C THR A 62 -4.229 8.647 11.199 1.00 73.55 C ATOM 428 O THR A 62 -4.052 9.166 10.101 1.00 13.53 O ATOM 429 CB THR A 62 -3.090 9.115 13.397 1.00 12.00 C ATOM 430 OG1 THR A 62 -4.381 9.002 14.021 1.00 70.43 O ATOM 431 CG2 THR A 62 -2.780 10.583 13.109 1.00 12.21 C ATOM 0 H THR A 62 -1.783 9.058 10.607 1.00 1.02 H new ATOM 0 HA THR A 62 -3.125 7.214 12.360 1.00 23.21 H new ATOM 0 HB THR A 62 -2.329 8.730 14.076 1.00 12.00 H new ATOM 0 HG1 THR A 62 -4.397 9.540 14.840 1.00 70.43 H new ATOM 0 HG21 THR A 62 -2.822 11.153 14.037 1.00 12.21 H new ATOM 0 HG22 THR A 62 -1.783 10.666 12.677 1.00 12.21 H new ATOM 0 HG23 THR A 62 -3.514 10.979 12.407 1.00 12.21 H new ATOM 439 N LYS A 63 -5.448 8.400 11.681 1.00 5.04 N ATOM 440 CA LYS A 63 -6.668 8.633 10.889 1.00 0.23 C ATOM 441 C LYS A 63 -6.987 10.133 10.718 1.00 61.12 C ATOM 442 O LYS A 63 -7.973 10.499 10.072 1.00 10.21 O ATOM 443 CB LYS A 63 -7.850 7.900 11.532 1.00 42.15 C ATOM 444 CG LYS A 63 -7.680 6.383 11.550 1.00 14.53 C ATOM 445 CD LYS A 63 -8.860 5.679 12.208 1.00 21.23 C ATOM 446 CE LYS A 63 -8.718 4.163 12.145 1.00 20.15 C ATOM 447 NZ LYS A 63 -9.839 3.472 12.834 1.00 33.41 N ATOM 0 H LYS A 63 -5.622 8.037 12.618 1.00 5.04 H new ATOM 0 HA LYS A 63 -6.491 8.237 9.889 1.00 0.23 H new ATOM 0 HB2 LYS A 63 -7.978 8.257 12.554 1.00 42.15 H new ATOM 0 HB3 LYS A 63 -8.762 8.150 10.991 1.00 42.15 H new ATOM 0 HG2 LYS A 63 -7.566 6.020 10.529 1.00 14.53 H new ATOM 0 HG3 LYS A 63 -6.764 6.128 12.083 1.00 14.53 H new ATOM 0 HD2 LYS A 63 -8.938 5.994 13.248 1.00 21.23 H new ATOM 0 HD3 LYS A 63 -9.784 5.979 11.714 1.00 21.23 H new ATOM 0 HE2 LYS A 63 -8.681 3.845 11.103 1.00 20.15 H new ATOM 0 HE3 LYS A 63 -7.774 3.868 12.602 1.00 20.15 H new ATOM 0 HZ1 LYS A 63 -9.574 2.484 13.024 1.00 33.41 H new ATOM 0 HZ2 LYS A 63 -10.044 3.954 13.732 1.00 33.41 H new ATOM 0 HZ3 LYS A 63 -10.684 3.493 12.229 1.00 33.41 H new ATOM 461 N LYS A 64 -6.158 10.989 11.309 1.00 44.34 N ATOM 462 CA LYS A 64 -6.253 12.443 11.104 1.00 23.42 C ATOM 463 C LYS A 64 -5.128 12.939 10.180 1.00 11.41 C ATOM 464 O LYS A 64 -4.910 14.145 10.033 1.00 61.43 O ATOM 465 CB LYS A 64 -6.183 13.175 12.452 1.00 74.43 C ATOM 466 CG LYS A 64 -7.362 12.897 13.381 1.00 73.51 C ATOM 467 CD LYS A 64 -8.693 13.305 12.753 1.00 24.14 C ATOM 468 CE LYS A 64 -9.838 13.250 13.758 1.00 42.35 C ATOM 469 NZ LYS A 64 -9.651 14.224 14.867 1.00 1.31 N ATOM 0 H LYS A 64 -5.407 10.705 11.938 1.00 44.34 H new ATOM 0 HA LYS A 64 -7.211 12.658 10.630 1.00 23.42 H new ATOM 0 HB2 LYS A 64 -5.261 12.890 12.959 1.00 74.43 H new ATOM 0 HB3 LYS A 64 -6.127 14.248 12.267 1.00 74.43 H new ATOM 0 HG2 LYS A 64 -7.387 11.835 13.627 1.00 73.51 H new ATOM 0 HG3 LYS A 64 -7.222 13.438 14.317 1.00 73.51 H new ATOM 0 HD2 LYS A 64 -8.610 14.315 12.352 1.00 24.14 H new ATOM 0 HD3 LYS A 64 -8.915 12.646 11.914 1.00 24.14 H new ATOM 0 HE2 LYS A 64 -10.779 13.457 13.248 1.00 42.35 H new ATOM 0 HE3 LYS A 64 -9.913 12.243 14.168 1.00 42.35 H new ATOM 0 HZ1 LYS A 64 -10.559 14.379 15.350 1.00 1.31 H new ATOM 0 HZ2 LYS A 64 -8.958 13.849 15.546 1.00 1.31 H new ATOM 0 HZ3 LYS A 64 -9.305 15.126 14.482 1.00 1.31 H new ATOM 483 N GLY A 65 -4.425 11.995 9.557 1.00 43.24 N ATOM 484 CA GLY A 65 -3.283 12.315 8.705 1.00 42.13 C ATOM 485 C GLY A 65 -2.245 11.197 8.709 1.00 53.45 C ATOM 486 O GLY A 65 -1.695 10.872 9.758 1.00 61.13 O ATOM 0 H GLY A 65 -4.628 10.998 9.627 1.00 43.24 H new ATOM 0 HA2 GLY A 65 -3.627 12.488 7.685 1.00 42.13 H new ATOM 0 HA3 GLY A 65 -2.822 13.241 9.048 1.00 42.13 H new ATOM 490 N ILE A 66 -1.977 10.595 7.552 1.00 51.01 N ATOM 491 CA ILE A 66 -1.070 9.445 7.493 1.00 14.24 C ATOM 492 C ILE A 66 -0.281 9.389 6.171 1.00 15.13 C ATOM 493 O ILE A 66 -0.769 9.819 5.124 1.00 20.41 O ATOM 494 CB ILE A 66 -1.864 8.129 7.699 1.00 3.12 C ATOM 495 CG1 ILE A 66 -0.920 6.935 7.887 1.00 35.13 C ATOM 496 CG2 ILE A 66 -2.817 7.882 6.530 1.00 12.30 C ATOM 497 CD1 ILE A 66 -1.608 5.698 8.422 1.00 13.34 C ATOM 0 H ILE A 66 -2.367 10.877 6.653 1.00 51.01 H new ATOM 0 HA ILE A 66 -0.344 9.563 8.297 1.00 14.24 H new ATOM 0 HB ILE A 66 -2.455 8.236 8.608 1.00 3.12 H new ATOM 0 HG12 ILE A 66 -0.454 6.697 6.931 1.00 35.13 H new ATOM 0 HG13 ILE A 66 -0.119 7.219 8.570 1.00 35.13 H new ATOM 0 HG21 ILE A 66 -3.363 6.954 6.696 1.00 12.30 H new ATOM 0 HG22 ILE A 66 -3.522 8.710 6.454 1.00 12.30 H new ATOM 0 HG23 ILE A 66 -2.246 7.806 5.605 1.00 12.30 H new ATOM 0 HD11 ILE A 66 -0.880 4.894 8.530 1.00 13.34 H new ATOM 0 HD12 ILE A 66 -2.050 5.919 9.393 1.00 13.34 H new ATOM 0 HD13 ILE A 66 -2.390 5.388 7.729 1.00 13.34 H new ATOM 509 N ASP A 67 0.948 8.883 6.238 1.00 0.44 N ATOM 510 CA ASP A 67 1.826 8.790 5.068 1.00 73.13 C ATOM 511 C ASP A 67 1.703 7.433 4.349 1.00 71.21 C ATOM 512 O ASP A 67 0.992 6.534 4.801 1.00 0.23 O ATOM 513 CB ASP A 67 3.277 9.040 5.492 1.00 34.22 C ATOM 514 CG ASP A 67 3.724 8.126 6.621 1.00 34.34 C ATOM 515 OD1 ASP A 67 3.269 8.322 7.768 1.00 43.25 O ATOM 516 OD2 ASP A 67 4.538 7.218 6.369 1.00 14.24 O ATOM 0 H ASP A 67 1.364 8.527 7.098 1.00 0.44 H new ATOM 0 HA ASP A 67 1.513 9.555 4.357 1.00 73.13 H new ATOM 0 HB2 ASP A 67 3.932 8.896 4.633 1.00 34.22 H new ATOM 0 HB3 ASP A 67 3.386 10.078 5.806 1.00 34.22 H new ATOM 521 N CYS A 68 2.415 7.301 3.226 1.00 24.40 N ATOM 522 CA CYS A 68 2.365 6.088 2.393 1.00 0.42 C ATOM 523 C CYS A 68 2.789 4.843 3.181 1.00 53.34 C ATOM 524 O CYS A 68 2.018 3.889 3.328 1.00 35.20 O ATOM 525 CB CYS A 68 3.266 6.249 1.161 1.00 11.10 C ATOM 526 SG CYS A 68 5.001 6.582 1.553 1.00 34.22 S ATOM 0 H CYS A 68 3.039 8.024 2.868 1.00 24.40 H new ATOM 0 HA CYS A 68 1.331 5.954 2.074 1.00 0.42 H new ATOM 0 HB2 CYS A 68 3.208 5.341 0.561 1.00 11.10 H new ATOM 0 HB3 CYS A 68 2.881 7.063 0.546 1.00 11.10 H new ATOM 0 HG CYS A 68 5.607 5.464 1.824 1.00 34.22 H new ATOM 532 N SER A 69 4.018 4.857 3.686 1.00 53.55 N ATOM 533 CA SER A 69 4.536 3.747 4.492 1.00 25.45 C ATOM 534 C SER A 69 3.726 3.566 5.777 1.00 70.45 C ATOM 535 O SER A 69 3.489 2.443 6.216 1.00 53.24 O ATOM 536 CB SER A 69 6.011 3.973 4.830 1.00 30.15 C ATOM 537 OG SER A 69 6.235 5.277 5.349 1.00 11.45 O ATOM 0 H SER A 69 4.678 5.624 3.554 1.00 53.55 H new ATOM 0 HA SER A 69 4.442 2.837 3.900 1.00 25.45 H new ATOM 0 HB2 SER A 69 6.336 3.230 5.558 1.00 30.15 H new ATOM 0 HB3 SER A 69 6.616 3.828 3.935 1.00 30.15 H new ATOM 0 HG SER A 69 6.536 5.212 6.279 1.00 11.45 H new ATOM 543 N GLY A 70 3.299 4.676 6.370 1.00 53.55 N ATOM 544 CA GLY A 70 2.472 4.625 7.570 1.00 64.43 C ATOM 545 C GLY A 70 1.145 3.901 7.358 1.00 73.22 C ATOM 546 O GLY A 70 0.721 3.101 8.196 1.00 51.41 O ATOM 0 H GLY A 70 3.511 5.618 6.041 1.00 53.55 H new ATOM 0 HA2 GLY A 70 3.027 4.126 8.365 1.00 64.43 H new ATOM 0 HA3 GLY A 70 2.273 5.642 7.909 1.00 64.43 H new ATOM 550 N PHE A 71 0.485 4.180 6.234 1.00 35.25 N ATOM 551 CA PHE A 71 -0.801 3.554 5.913 1.00 22.32 C ATOM 552 C PHE A 71 -0.678 2.032 5.794 1.00 25.30 C ATOM 553 O PHE A 71 -1.423 1.288 6.434 1.00 23.13 O ATOM 554 CB PHE A 71 -1.378 4.135 4.612 1.00 2.13 C ATOM 555 CG PHE A 71 -2.648 3.453 4.163 1.00 62.12 C ATOM 556 CD1 PHE A 71 -3.824 3.600 4.885 1.00 32.33 C ATOM 557 CD2 PHE A 71 -2.662 2.650 3.029 1.00 34.42 C ATOM 558 CE1 PHE A 71 -4.982 2.964 4.485 1.00 51.21 C ATOM 559 CE2 PHE A 71 -3.817 2.011 2.630 1.00 53.43 C ATOM 560 CZ PHE A 71 -4.979 2.170 3.357 1.00 62.55 C ATOM 0 H PHE A 71 0.819 4.836 5.528 1.00 35.25 H new ATOM 0 HA PHE A 71 -1.481 3.774 6.736 1.00 22.32 H new ATOM 0 HB2 PHE A 71 -1.575 5.198 4.753 1.00 2.13 H new ATOM 0 HB3 PHE A 71 -0.631 4.052 3.823 1.00 2.13 H new ATOM 0 HD1 PHE A 71 -3.833 4.219 5.770 1.00 32.33 H new ATOM 0 HD2 PHE A 71 -1.757 2.525 2.453 1.00 34.42 H new ATOM 0 HE1 PHE A 71 -5.891 3.088 5.055 1.00 51.21 H new ATOM 0 HE2 PHE A 71 -3.812 1.386 1.749 1.00 53.43 H new ATOM 0 HZ PHE A 71 -5.885 1.673 3.043 1.00 62.55 H new ATOM 570 N VAL A 72 0.261 1.575 4.973 1.00 22.33 N ATOM 571 CA VAL A 72 0.448 0.143 4.745 1.00 20.44 C ATOM 572 C VAL A 72 0.822 -0.611 6.039 1.00 72.25 C ATOM 573 O VAL A 72 0.198 -1.620 6.376 1.00 63.11 O ATOM 574 CB VAL A 72 1.501 -0.121 3.637 1.00 54.21 C ATOM 575 CG1 VAL A 72 2.815 0.586 3.933 1.00 71.14 C ATOM 576 CG2 VAL A 72 1.723 -1.617 3.450 1.00 62.13 C ATOM 0 H VAL A 72 0.905 2.172 4.454 1.00 22.33 H new ATOM 0 HA VAL A 72 -0.512 -0.245 4.406 1.00 20.44 H new ATOM 0 HB VAL A 72 1.110 0.290 2.706 1.00 54.21 H new ATOM 0 HG11 VAL A 72 3.528 0.378 3.135 1.00 71.14 H new ATOM 0 HG12 VAL A 72 2.644 1.661 3.995 1.00 71.14 H new ATOM 0 HG13 VAL A 72 3.216 0.227 4.881 1.00 71.14 H new ATOM 0 HG21 VAL A 72 2.465 -1.780 2.668 1.00 62.13 H new ATOM 0 HG22 VAL A 72 2.079 -2.052 4.384 1.00 62.13 H new ATOM 0 HG23 VAL A 72 0.784 -2.091 3.163 1.00 62.13 H new ATOM 586 N GLN A 73 1.811 -0.108 6.781 1.00 50.51 N ATOM 587 CA GLN A 73 2.254 -0.776 8.012 1.00 10.41 C ATOM 588 C GLN A 73 1.120 -0.874 9.049 1.00 45.14 C ATOM 589 O GLN A 73 1.029 -1.854 9.793 1.00 22.21 O ATOM 590 CB GLN A 73 3.503 -0.081 8.596 1.00 60.45 C ATOM 591 CG GLN A 73 3.338 1.405 8.922 1.00 3.11 C ATOM 592 CD GLN A 73 2.968 1.682 10.370 1.00 2.23 C ATOM 593 OE1 GLN A 73 2.321 0.878 11.026 1.00 50.04 O ATOM 594 NE2 GLN A 73 3.377 2.827 10.878 1.00 60.55 N ATOM 0 H GLN A 73 2.317 0.749 6.557 1.00 50.51 H new ATOM 0 HA GLN A 73 2.532 -1.797 7.753 1.00 10.41 H new ATOM 0 HB2 GLN A 73 3.796 -0.604 9.506 1.00 60.45 H new ATOM 0 HB3 GLN A 73 4.323 -0.191 7.887 1.00 60.45 H new ATOM 0 HG2 GLN A 73 4.269 1.923 8.690 1.00 3.11 H new ATOM 0 HG3 GLN A 73 2.569 1.826 8.274 1.00 3.11 H new ATOM 0 HE21 GLN A 73 3.915 3.476 10.304 1.00 60.55 H new ATOM 0 HE22 GLN A 73 3.155 3.064 11.845 1.00 60.55 H new ATOM 603 N ARG A 74 0.241 0.130 9.088 1.00 43.32 N ATOM 604 CA ARG A 74 -0.926 0.072 9.972 1.00 70.34 C ATOM 605 C ARG A 74 -1.964 -0.938 9.467 1.00 3.34 C ATOM 606 O ARG A 74 -2.384 -1.818 10.212 1.00 54.44 O ATOM 607 CB ARG A 74 -1.576 1.451 10.152 1.00 12.13 C ATOM 608 CG ARG A 74 -0.790 2.381 11.072 1.00 23.02 C ATOM 609 CD ARG A 74 -1.648 3.535 11.585 1.00 25.53 C ATOM 610 NE ARG A 74 -0.924 4.355 12.554 1.00 42.50 N ATOM 611 CZ ARG A 74 -0.788 4.054 13.820 1.00 31.25 C ATOM 612 NH1 ARG A 74 -1.381 3.023 14.326 1.00 11.45 N ATOM 613 NH2 ARG A 74 -0.085 4.813 14.589 1.00 34.23 N ATOM 0 H ARG A 74 0.312 0.980 8.528 1.00 43.32 H new ATOM 0 HA ARG A 74 -0.564 -0.261 10.945 1.00 70.34 H new ATOM 0 HB2 ARG A 74 -1.682 1.924 9.176 1.00 12.13 H new ATOM 0 HB3 ARG A 74 -2.581 1.320 10.554 1.00 12.13 H new ATOM 0 HG2 ARG A 74 -0.403 1.813 11.918 1.00 23.02 H new ATOM 0 HG3 ARG A 74 0.071 2.780 10.535 1.00 23.02 H new ATOM 0 HD2 ARG A 74 -1.963 4.155 10.746 1.00 25.53 H new ATOM 0 HD3 ARG A 74 -2.553 3.139 12.046 1.00 25.53 H new ATOM 0 HE ARG A 74 -0.496 5.219 12.221 1.00 42.50 H new ATOM 0 HH11 ARG A 74 -1.965 2.430 13.736 1.00 11.45 H new ATOM 0 HH12 ARG A 74 -1.265 2.802 15.315 1.00 11.45 H new ATOM 0 HH21 ARG A 74 0.364 5.647 14.210 1.00 34.23 H new ATOM 0 HH22 ARG A 74 0.022 4.580 15.576 1.00 34.23 H new ATOM 627 N THR A 75 -2.356 -0.819 8.201 1.00 24.14 N ATOM 628 CA THR A 75 -3.365 -1.717 7.607 1.00 20.21 C ATOM 629 C THR A 75 -3.042 -3.198 7.872 1.00 11.13 C ATOM 630 O THR A 75 -3.931 -3.997 8.183 1.00 51.23 O ATOM 631 CB THR A 75 -3.494 -1.490 6.079 1.00 61.12 C ATOM 632 OG1 THR A 75 -3.832 -0.121 5.815 1.00 14.41 O ATOM 633 CG2 THR A 75 -4.555 -2.403 5.466 1.00 35.53 C ATOM 0 H THR A 75 -1.995 -0.112 7.560 1.00 24.14 H new ATOM 0 HA THR A 75 -4.313 -1.474 8.088 1.00 20.21 H new ATOM 0 HB THR A 75 -2.533 -1.729 5.624 1.00 61.12 H new ATOM 0 HG1 THR A 75 -3.048 0.446 5.972 1.00 14.41 H new ATOM 0 HG21 THR A 75 -4.619 -2.217 4.394 1.00 35.53 H new ATOM 0 HG22 THR A 75 -4.283 -3.444 5.638 1.00 35.53 H new ATOM 0 HG23 THR A 75 -5.521 -2.199 5.928 1.00 35.53 H new ATOM 641 N PHE A 76 -1.763 -3.555 7.771 1.00 14.05 N ATOM 642 CA PHE A 76 -1.329 -4.934 8.019 1.00 65.22 C ATOM 643 C PHE A 76 -1.350 -5.301 9.516 1.00 40.20 C ATOM 644 O PHE A 76 -1.760 -6.406 9.872 1.00 3.14 O ATOM 645 CB PHE A 76 0.060 -5.180 7.416 1.00 22.15 C ATOM 646 CG PHE A 76 0.020 -5.424 5.927 1.00 12.31 C ATOM 647 CD1 PHE A 76 0.030 -4.368 5.032 1.00 1.12 C ATOM 648 CD2 PHE A 76 -0.042 -6.718 5.428 1.00 11.15 C ATOM 649 CE1 PHE A 76 -0.019 -4.593 3.672 1.00 61.31 C ATOM 650 CE2 PHE A 76 -0.093 -6.945 4.067 1.00 12.14 C ATOM 651 CZ PHE A 76 -0.079 -5.883 3.188 1.00 31.54 C ATOM 0 H PHE A 76 -1.010 -2.914 7.521 1.00 14.05 H new ATOM 0 HA PHE A 76 -2.048 -5.588 7.525 1.00 65.22 H new ATOM 0 HB2 PHE A 76 0.697 -4.319 7.621 1.00 22.15 H new ATOM 0 HB3 PHE A 76 0.517 -6.039 7.908 1.00 22.15 H new ATOM 0 HD1 PHE A 76 0.077 -3.355 5.403 1.00 1.12 H new ATOM 0 HD2 PHE A 76 -0.050 -7.555 6.111 1.00 11.15 H new ATOM 0 HE1 PHE A 76 -0.010 -3.759 2.986 1.00 61.31 H new ATOM 0 HE2 PHE A 76 -0.144 -7.956 3.690 1.00 12.14 H new ATOM 0 HZ PHE A 76 -0.115 -6.061 2.123 1.00 31.54 H new ATOM 661 N ARG A 77 -0.920 -4.392 10.398 1.00 2.55 N ATOM 662 CA ARG A 77 -0.972 -4.670 11.845 1.00 15.34 C ATOM 663 C ARG A 77 -2.427 -4.676 12.361 1.00 11.04 C ATOM 664 O ARG A 77 -2.737 -5.315 13.365 1.00 64.34 O ATOM 665 CB ARG A 77 -0.114 -3.669 12.639 1.00 21.34 C ATOM 666 CG ARG A 77 -0.680 -2.255 12.706 1.00 32.03 C ATOM 667 CD ARG A 77 0.271 -1.294 13.419 1.00 65.44 C ATOM 668 NE ARG A 77 1.522 -1.109 12.675 1.00 4.01 N ATOM 669 CZ ARG A 77 2.716 -1.320 13.166 1.00 33.23 C ATOM 670 NH1 ARG A 77 2.863 -1.700 14.393 1.00 43.22 N ATOM 671 NH2 ARG A 77 3.761 -1.124 12.424 1.00 71.13 N ATOM 0 H ARG A 77 -0.541 -3.479 10.149 1.00 2.55 H new ATOM 0 HA ARG A 77 -0.555 -5.665 12.001 1.00 15.34 H new ATOM 0 HB2 ARG A 77 0.010 -4.044 13.655 1.00 21.34 H new ATOM 0 HB3 ARG A 77 0.879 -3.627 12.191 1.00 21.34 H new ATOM 0 HG2 ARG A 77 -0.873 -1.893 11.696 1.00 32.03 H new ATOM 0 HG3 ARG A 77 -1.637 -2.271 13.227 1.00 32.03 H new ATOM 0 HD2 ARG A 77 -0.219 -0.329 13.551 1.00 65.44 H new ATOM 0 HD3 ARG A 77 0.494 -1.677 14.415 1.00 65.44 H new ATOM 0 HE ARG A 77 1.456 -0.794 11.707 1.00 4.01 H new ATOM 0 HH11 ARG A 77 2.044 -1.837 14.986 1.00 43.22 H new ATOM 0 HH12 ARG A 77 3.798 -1.862 14.768 1.00 43.22 H new ATOM 0 HH21 ARG A 77 3.650 -0.806 11.461 1.00 71.13 H new ATOM 0 HH22 ARG A 77 4.694 -1.287 12.803 1.00 71.13 H new ATOM 685 N GLU A 78 -3.310 -3.969 11.650 1.00 40.53 N ATOM 686 CA GLU A 78 -4.746 -3.956 11.968 1.00 32.32 C ATOM 687 C GLU A 78 -5.399 -5.314 11.663 1.00 5.44 C ATOM 688 O GLU A 78 -5.905 -5.995 12.556 1.00 54.40 O ATOM 689 CB GLU A 78 -5.466 -2.865 11.149 1.00 20.20 C ATOM 690 CG GLU A 78 -5.077 -1.432 11.501 1.00 74.35 C ATOM 691 CD GLU A 78 -5.590 -0.992 12.862 1.00 3.54 C ATOM 692 OE1 GLU A 78 -6.767 -0.583 12.957 1.00 32.12 O ATOM 693 OE2 GLU A 78 -4.818 -1.038 13.838 1.00 72.44 O ATOM 0 H GLU A 78 -3.057 -3.395 10.846 1.00 40.53 H new ATOM 0 HA GLU A 78 -4.842 -3.748 13.034 1.00 32.32 H new ATOM 0 HB2 GLU A 78 -5.262 -3.032 10.091 1.00 20.20 H new ATOM 0 HB3 GLU A 78 -6.541 -2.978 11.288 1.00 20.20 H new ATOM 0 HG2 GLU A 78 -3.991 -1.342 11.482 1.00 74.35 H new ATOM 0 HG3 GLU A 78 -5.466 -0.758 10.738 1.00 74.35 H new ATOM 700 N GLN A 79 -5.366 -5.703 10.387 1.00 33.42 N ATOM 701 CA GLN A 79 -6.108 -6.876 9.910 1.00 75.44 C ATOM 702 C GLN A 79 -5.319 -8.193 10.028 1.00 42.43 C ATOM 703 O GLN A 79 -5.911 -9.254 10.235 1.00 43.51 O ATOM 704 CB GLN A 79 -6.532 -6.652 8.450 1.00 12.54 C ATOM 705 CG GLN A 79 -7.516 -5.500 8.269 1.00 25.04 C ATOM 706 CD GLN A 79 -8.845 -5.742 8.972 1.00 34.02 C ATOM 707 OE1 GLN A 79 -9.294 -6.877 9.109 1.00 63.45 O ATOM 708 NE2 GLN A 79 -9.480 -4.684 9.431 1.00 1.01 N ATOM 0 H GLN A 79 -4.833 -5.223 9.662 1.00 33.42 H new ATOM 0 HA GLN A 79 -6.980 -6.981 10.555 1.00 75.44 H new ATOM 0 HB2 GLN A 79 -5.644 -6.458 7.848 1.00 12.54 H new ATOM 0 HB3 GLN A 79 -6.983 -7.567 8.067 1.00 12.54 H new ATOM 0 HG2 GLN A 79 -7.069 -4.583 8.653 1.00 25.04 H new ATOM 0 HG3 GLN A 79 -7.696 -5.346 7.205 1.00 25.04 H new ATOM 0 HE21 GLN A 79 -9.081 -3.754 9.302 1.00 1.01 H new ATOM 0 HE22 GLN A 79 -10.371 -4.794 9.916 1.00 1.01 H new ATOM 717 N PHE A 80 -3.994 -8.132 9.885 1.00 1.02 N ATOM 718 CA PHE A 80 -3.161 -9.350 9.895 1.00 21.02 C ATOM 719 C PHE A 80 -2.253 -9.428 11.135 1.00 23.30 C ATOM 720 O PHE A 80 -1.668 -10.476 11.423 1.00 34.32 O ATOM 721 CB PHE A 80 -2.298 -9.400 8.625 1.00 63.34 C ATOM 722 CG PHE A 80 -3.093 -9.290 7.345 1.00 62.23 C ATOM 723 CD1 PHE A 80 -3.713 -10.404 6.795 1.00 33.13 C ATOM 724 CD2 PHE A 80 -3.226 -8.069 6.695 1.00 64.11 C ATOM 725 CE1 PHE A 80 -4.444 -10.303 5.625 1.00 50.24 C ATOM 726 CE2 PHE A 80 -3.956 -7.964 5.526 1.00 60.32 C ATOM 727 CZ PHE A 80 -4.566 -9.081 4.992 1.00 34.54 C ATOM 0 H PHE A 80 -3.472 -7.264 9.762 1.00 1.02 H new ATOM 0 HA PHE A 80 -3.837 -10.204 9.927 1.00 21.02 H new ATOM 0 HB2 PHE A 80 -1.569 -8.591 8.660 1.00 63.34 H new ATOM 0 HB3 PHE A 80 -1.737 -10.334 8.614 1.00 63.34 H new ATOM 0 HD1 PHE A 80 -3.623 -11.361 7.287 1.00 33.13 H new ATOM 0 HD2 PHE A 80 -2.753 -7.191 7.109 1.00 64.11 H new ATOM 0 HE1 PHE A 80 -4.919 -11.178 5.207 1.00 50.24 H new ATOM 0 HE2 PHE A 80 -4.049 -7.009 5.031 1.00 60.32 H new ATOM 0 HZ PHE A 80 -5.138 -9.000 4.080 1.00 34.54 H new ATOM 737 N GLY A 81 -2.132 -8.319 11.860 1.00 24.51 N ATOM 738 CA GLY A 81 -1.232 -8.270 13.012 1.00 30.20 C ATOM 739 C GLY A 81 0.241 -8.253 12.612 1.00 41.02 C ATOM 740 O GLY A 81 1.124 -8.531 13.426 1.00 24.22 O ATOM 0 H GLY A 81 -2.638 -7.453 11.675 1.00 24.51 H new ATOM 0 HA2 GLY A 81 -1.454 -7.381 13.603 1.00 30.20 H new ATOM 0 HA3 GLY A 81 -1.420 -9.133 13.651 1.00 30.20 H new ATOM 744 N LEU A 82 0.507 -7.922 11.351 1.00 2.13 N ATOM 745 CA LEU A 82 1.877 -7.881 10.828 1.00 14.12 C ATOM 746 C LEU A 82 2.555 -6.541 11.154 1.00 34.13 C ATOM 747 O LEU A 82 2.136 -5.485 10.673 1.00 43.10 O ATOM 748 CB LEU A 82 1.863 -8.115 9.310 1.00 24.32 C ATOM 749 CG LEU A 82 3.246 -8.175 8.636 1.00 33.34 C ATOM 750 CD1 LEU A 82 4.038 -9.388 9.113 1.00 61.24 C ATOM 751 CD2 LEU A 82 3.103 -8.186 7.119 1.00 54.20 C ATOM 0 H LEU A 82 -0.209 -7.677 10.667 1.00 2.13 H new ATOM 0 HA LEU A 82 2.452 -8.673 11.308 1.00 14.12 H new ATOM 0 HB2 LEU A 82 1.339 -9.049 9.109 1.00 24.32 H new ATOM 0 HB3 LEU A 82 1.284 -7.318 8.842 1.00 24.32 H new ATOM 0 HG LEU A 82 3.800 -7.281 8.923 1.00 33.34 H new ATOM 0 HD11 LEU A 82 5.010 -9.404 8.620 1.00 61.24 H new ATOM 0 HD12 LEU A 82 4.179 -9.329 10.192 1.00 61.24 H new ATOM 0 HD13 LEU A 82 3.492 -10.299 8.868 1.00 61.24 H new ATOM 0 HD21 LEU A 82 4.091 -8.229 6.661 1.00 54.20 H new ATOM 0 HD22 LEU A 82 2.524 -9.058 6.814 1.00 54.20 H new ATOM 0 HD23 LEU A 82 2.592 -7.280 6.795 1.00 54.20 H new ATOM 763 N GLU A 83 3.603 -6.591 11.974 1.00 3.14 N ATOM 764 CA GLU A 83 4.318 -5.377 12.393 1.00 21.44 C ATOM 765 C GLU A 83 5.349 -4.942 11.339 1.00 11.23 C ATOM 766 O GLU A 83 6.460 -5.469 11.288 1.00 13.35 O ATOM 767 CB GLU A 83 5.019 -5.599 13.748 1.00 11.11 C ATOM 768 CG GLU A 83 4.069 -5.889 14.908 1.00 3.44 C ATOM 769 CD GLU A 83 4.792 -6.027 16.243 1.00 0.12 C ATOM 770 OE1 GLU A 83 5.278 -7.135 16.550 1.00 42.20 O ATOM 771 OE2 GLU A 83 4.878 -5.027 16.993 1.00 41.40 O ATOM 0 H GLU A 83 3.979 -7.455 12.363 1.00 3.14 H new ATOM 0 HA GLU A 83 3.579 -4.583 12.499 1.00 21.44 H new ATOM 0 HB2 GLU A 83 5.718 -6.430 13.650 1.00 11.11 H new ATOM 0 HB3 GLU A 83 5.608 -4.714 13.989 1.00 11.11 H new ATOM 0 HG2 GLU A 83 3.334 -5.087 14.979 1.00 3.44 H new ATOM 0 HG3 GLU A 83 3.520 -6.807 14.701 1.00 3.44 H new ATOM 778 N LEU A 84 4.961 -4.001 10.484 1.00 34.51 N ATOM 779 CA LEU A 84 5.874 -3.439 9.482 1.00 24.15 C ATOM 780 C LEU A 84 6.454 -2.097 9.960 1.00 23.43 C ATOM 781 O LEU A 84 5.751 -1.301 10.588 1.00 42.45 O ATOM 782 CB LEU A 84 5.142 -3.251 8.144 1.00 54.15 C ATOM 783 CG LEU A 84 4.640 -4.543 7.478 1.00 24.10 C ATOM 784 CD1 LEU A 84 3.856 -4.226 6.207 1.00 64.14 C ATOM 785 CD2 LEU A 84 5.810 -5.478 7.174 1.00 64.31 C ATOM 0 H LEU A 84 4.020 -3.608 10.461 1.00 34.51 H new ATOM 0 HA LEU A 84 6.698 -4.138 9.342 1.00 24.15 H new ATOM 0 HB2 LEU A 84 4.290 -2.591 8.305 1.00 54.15 H new ATOM 0 HB3 LEU A 84 5.812 -2.742 7.451 1.00 54.15 H new ATOM 0 HG LEU A 84 3.969 -5.049 8.172 1.00 24.10 H new ATOM 0 HD11 LEU A 84 3.510 -5.154 5.752 1.00 64.14 H new ATOM 0 HD12 LEU A 84 2.998 -3.602 6.455 1.00 64.14 H new ATOM 0 HD13 LEU A 84 4.500 -3.696 5.505 1.00 64.14 H new ATOM 0 HD21 LEU A 84 5.436 -6.387 6.703 1.00 64.31 H new ATOM 0 HD22 LEU A 84 6.508 -4.981 6.500 1.00 64.31 H new ATOM 0 HD23 LEU A 84 6.322 -5.734 8.102 1.00 64.31 H new ATOM 797 N PRO A 85 7.745 -1.826 9.663 1.00 52.11 N ATOM 798 CA PRO A 85 8.415 -0.572 10.069 1.00 72.21 C ATOM 799 C PRO A 85 7.716 0.695 9.533 1.00 3.43 C ATOM 800 O PRO A 85 6.920 0.633 8.599 1.00 53.15 O ATOM 801 CB PRO A 85 9.830 -0.707 9.478 1.00 72.43 C ATOM 802 CG PRO A 85 9.724 -1.779 8.441 1.00 30.45 C ATOM 803 CD PRO A 85 8.655 -2.718 8.925 1.00 22.40 C ATOM 0 HA PRO A 85 8.401 -0.448 11.152 1.00 72.21 H new ATOM 0 HB2 PRO A 85 10.164 0.233 9.039 1.00 72.43 H new ATOM 0 HB3 PRO A 85 10.554 -0.975 10.248 1.00 72.43 H new ATOM 0 HG2 PRO A 85 9.463 -1.358 7.470 1.00 30.45 H new ATOM 0 HG3 PRO A 85 10.674 -2.299 8.319 1.00 30.45 H new ATOM 0 HD2 PRO A 85 8.150 -3.216 8.098 1.00 22.40 H new ATOM 0 HD3 PRO A 85 9.063 -3.499 9.566 1.00 22.40 H new ATOM 811 N ARG A 86 8.046 1.849 10.114 1.00 12.15 N ATOM 812 CA ARG A 86 7.347 3.106 9.801 1.00 35.31 C ATOM 813 C ARG A 86 7.816 3.732 8.475 1.00 21.23 C ATOM 814 O ARG A 86 7.072 4.483 7.841 1.00 73.43 O ATOM 815 CB ARG A 86 7.526 4.123 10.943 1.00 32.02 C ATOM 816 CG ARG A 86 6.783 3.762 12.232 1.00 45.41 C ATOM 817 CD ARG A 86 7.431 2.601 12.981 1.00 25.04 C ATOM 818 NE ARG A 86 6.644 2.198 14.144 1.00 12.14 N ATOM 819 CZ ARG A 86 7.000 2.391 15.388 1.00 2.11 C ATOM 820 NH1 ARG A 86 8.127 2.957 15.674 1.00 51.22 N ATOM 821 NH2 ARG A 86 6.213 2.015 16.342 1.00 2.42 N ATOM 0 H ARG A 86 8.791 1.944 10.804 1.00 12.15 H new ATOM 0 HA ARG A 86 6.292 2.855 9.691 1.00 35.31 H new ATOM 0 HB2 ARG A 86 8.589 4.219 11.165 1.00 32.02 H new ATOM 0 HB3 ARG A 86 7.183 5.099 10.601 1.00 32.02 H new ATOM 0 HG2 ARG A 86 6.749 4.635 12.883 1.00 45.41 H new ATOM 0 HG3 ARG A 86 5.752 3.503 11.992 1.00 45.41 H new ATOM 0 HD2 ARG A 86 7.544 1.752 12.307 1.00 25.04 H new ATOM 0 HD3 ARG A 86 8.432 2.889 13.302 1.00 25.04 H new ATOM 0 HE ARG A 86 5.753 1.733 13.974 1.00 12.14 H new ATOM 0 HH11 ARG A 86 8.751 3.259 14.925 1.00 51.22 H new ATOM 0 HH12 ARG A 86 8.392 3.101 16.648 1.00 51.22 H new ATOM 0 HH21 ARG A 86 5.321 1.571 16.122 1.00 2.42 H new ATOM 0 HH22 ARG A 86 6.484 2.162 17.314 1.00 2.42 H new ATOM 835 N SER A 87 9.045 3.428 8.063 1.00 72.23 N ATOM 836 CA SER A 87 9.628 4.018 6.842 1.00 5.44 C ATOM 837 C SER A 87 9.528 3.077 5.633 1.00 1.20 C ATOM 838 O SER A 87 9.735 1.866 5.750 1.00 40.43 O ATOM 839 CB SER A 87 11.100 4.382 7.073 1.00 23.20 C ATOM 840 OG SER A 87 11.710 4.864 5.884 1.00 52.15 O ATOM 0 H SER A 87 9.662 2.778 8.550 1.00 72.23 H new ATOM 0 HA SER A 87 9.050 4.915 6.622 1.00 5.44 H new ATOM 0 HB2 SER A 87 11.170 5.141 7.853 1.00 23.20 H new ATOM 0 HB3 SER A 87 11.641 3.506 7.431 1.00 23.20 H new ATOM 0 HG SER A 87 12.647 5.089 6.065 1.00 52.15 H new ATOM 846 N THR A 88 9.226 3.656 4.468 1.00 22.30 N ATOM 847 CA THR A 88 9.148 2.902 3.205 1.00 50.32 C ATOM 848 C THR A 88 10.448 2.133 2.933 1.00 71.44 C ATOM 849 O THR A 88 10.426 0.969 2.532 1.00 12.25 O ATOM 850 CB THR A 88 8.862 3.842 2.001 1.00 41.14 C ATOM 851 OG1 THR A 88 7.617 4.534 2.190 1.00 51.43 O ATOM 852 CG2 THR A 88 8.817 3.072 0.681 1.00 12.04 C ATOM 0 H THR A 88 9.029 4.652 4.369 1.00 22.30 H new ATOM 0 HA THR A 88 8.326 2.195 3.314 1.00 50.32 H new ATOM 0 HB THR A 88 9.679 4.562 1.952 1.00 41.14 H new ATOM 0 HG1 THR A 88 7.569 5.295 1.575 1.00 51.43 H new ATOM 0 HG21 THR A 88 8.615 3.764 -0.137 1.00 12.04 H new ATOM 0 HG22 THR A 88 9.776 2.582 0.513 1.00 12.04 H new ATOM 0 HG23 THR A 88 8.028 2.321 0.725 1.00 12.04 H new ATOM 860 N TYR A 89 11.578 2.792 3.181 1.00 53.23 N ATOM 861 CA TYR A 89 12.899 2.199 2.936 1.00 12.22 C ATOM 862 C TYR A 89 13.123 0.953 3.808 1.00 43.34 C ATOM 863 O TYR A 89 13.589 -0.083 3.330 1.00 62.30 O ATOM 864 CB TYR A 89 13.995 3.241 3.203 1.00 62.10 C ATOM 865 CG TYR A 89 13.787 4.536 2.439 1.00 41.00 C ATOM 866 CD1 TYR A 89 14.005 4.600 1.068 1.00 25.43 C ATOM 867 CD2 TYR A 89 13.367 5.692 3.090 1.00 73.15 C ATOM 868 CE1 TYR A 89 13.809 5.775 0.369 1.00 33.42 C ATOM 869 CE2 TYR A 89 13.169 6.870 2.396 1.00 40.05 C ATOM 870 CZ TYR A 89 13.393 6.907 1.038 1.00 63.43 C ATOM 871 OH TYR A 89 13.195 8.081 0.343 1.00 12.45 O ATOM 0 H TYR A 89 11.609 3.741 3.553 1.00 53.23 H new ATOM 0 HA TYR A 89 12.945 1.887 1.893 1.00 12.22 H new ATOM 0 HB2 TYR A 89 14.029 3.458 4.271 1.00 62.10 H new ATOM 0 HB3 TYR A 89 14.963 2.819 2.933 1.00 62.10 H new ATOM 0 HD1 TYR A 89 14.333 3.717 0.540 1.00 25.43 H new ATOM 0 HD2 TYR A 89 13.193 5.668 4.156 1.00 73.15 H new ATOM 0 HE1 TYR A 89 13.981 5.807 -0.697 1.00 33.42 H new ATOM 0 HE2 TYR A 89 12.840 7.758 2.916 1.00 40.05 H new ATOM 0 HH TYR A 89 12.902 8.782 0.962 1.00 12.45 H new ATOM 881 N GLU A 90 12.768 1.056 5.084 1.00 42.32 N ATOM 882 CA GLU A 90 12.874 -0.075 6.009 1.00 41.34 C ATOM 883 C GLU A 90 11.926 -1.215 5.585 1.00 21.12 C ATOM 884 O GLU A 90 12.256 -2.398 5.710 1.00 4.01 O ATOM 885 CB GLU A 90 12.546 0.382 7.436 1.00 35.01 C ATOM 886 CG GLU A 90 13.384 1.564 7.929 1.00 22.51 C ATOM 887 CD GLU A 90 14.878 1.274 7.952 1.00 33.44 C ATOM 888 OE1 GLU A 90 15.312 0.430 8.764 1.00 20.13 O ATOM 889 OE2 GLU A 90 15.627 1.888 7.161 1.00 71.14 O ATOM 0 H GLU A 90 12.404 1.910 5.505 1.00 42.32 H new ATOM 0 HA GLU A 90 13.897 -0.451 5.982 1.00 41.34 H new ATOM 0 HB2 GLU A 90 11.492 0.655 7.484 1.00 35.01 H new ATOM 0 HB3 GLU A 90 12.689 -0.458 8.116 1.00 35.01 H new ATOM 0 HG2 GLU A 90 13.198 2.425 7.287 1.00 22.51 H new ATOM 0 HG3 GLU A 90 13.058 1.838 8.933 1.00 22.51 H new ATOM 896 N GLN A 91 10.745 -0.843 5.079 1.00 71.15 N ATOM 897 CA GLN A 91 9.769 -1.813 4.565 1.00 14.13 C ATOM 898 C GLN A 91 10.272 -2.498 3.285 1.00 54.22 C ATOM 899 O GLN A 91 9.868 -3.621 2.972 1.00 40.53 O ATOM 900 CB GLN A 91 8.423 -1.131 4.286 1.00 11.41 C ATOM 901 CG GLN A 91 7.669 -0.698 5.538 1.00 2.23 C ATOM 902 CD GLN A 91 6.312 -0.090 5.221 1.00 45.43 C ATOM 903 OE1 GLN A 91 5.696 -0.416 4.213 1.00 21.22 O ATOM 904 NE2 GLN A 91 5.835 0.783 6.081 1.00 22.10 N ATOM 0 H GLN A 91 10.440 0.128 5.014 1.00 71.15 H new ATOM 0 HA GLN A 91 9.636 -2.575 5.334 1.00 14.13 H new ATOM 0 HB2 GLN A 91 8.595 -0.256 3.659 1.00 11.41 H new ATOM 0 HB3 GLN A 91 7.794 -1.814 3.715 1.00 11.41 H new ATOM 0 HG2 GLN A 91 7.533 -1.559 6.192 1.00 2.23 H new ATOM 0 HG3 GLN A 91 8.269 0.028 6.087 1.00 2.23 H new ATOM 0 HE21 GLN A 91 6.376 1.030 6.910 1.00 22.10 H new ATOM 0 HE22 GLN A 91 4.924 1.213 5.919 1.00 22.10 H new ATOM 913 N GLN A 92 11.127 -1.810 2.532 1.00 23.32 N ATOM 914 CA GLN A 92 11.745 -2.393 1.336 1.00 21.35 C ATOM 915 C GLN A 92 12.563 -3.640 1.697 1.00 34.02 C ATOM 916 O GLN A 92 12.394 -4.703 1.099 1.00 23.41 O ATOM 917 CB GLN A 92 12.633 -1.359 0.629 1.00 53.13 C ATOM 918 CG GLN A 92 11.847 -0.231 -0.034 1.00 23.32 C ATOM 919 CD GLN A 92 12.731 0.880 -0.592 1.00 71.12 C ATOM 920 OE1 GLN A 92 12.314 2.030 -0.684 1.00 44.13 O ATOM 921 NE2 GLN A 92 13.952 0.552 -0.970 1.00 41.43 N ATOM 0 H GLN A 92 11.410 -0.849 2.726 1.00 23.32 H new ATOM 0 HA GLN A 92 10.948 -2.691 0.655 1.00 21.35 H new ATOM 0 HB2 GLN A 92 13.326 -0.931 1.354 1.00 53.13 H new ATOM 0 HB3 GLN A 92 13.234 -1.865 -0.127 1.00 53.13 H new ATOM 0 HG2 GLN A 92 11.244 -0.645 -0.842 1.00 23.32 H new ATOM 0 HG3 GLN A 92 11.156 0.196 0.693 1.00 23.32 H new ATOM 0 HE21 GLN A 92 14.271 -0.413 -0.882 1.00 41.43 H new ATOM 0 HE22 GLN A 92 14.576 1.263 -1.350 1.00 41.43 H new ATOM 930 N GLU A 93 13.416 -3.506 2.704 1.00 62.05 N ATOM 931 CA GLU A 93 14.261 -4.613 3.169 1.00 10.32 C ATOM 932 C GLU A 93 13.454 -5.681 3.939 1.00 63.13 C ATOM 933 O GLU A 93 13.989 -6.728 4.306 1.00 3.32 O ATOM 934 CB GLU A 93 15.381 -4.056 4.055 1.00 41.41 C ATOM 935 CG GLU A 93 16.272 -3.036 3.348 1.00 41.44 C ATOM 936 CD GLU A 93 17.066 -3.638 2.196 1.00 22.44 C ATOM 937 OE1 GLU A 93 18.099 -4.295 2.465 1.00 65.12 O ATOM 938 OE2 GLU A 93 16.675 -3.446 1.023 1.00 71.21 O ATOM 0 H GLU A 93 13.546 -2.637 3.222 1.00 62.05 H new ATOM 0 HA GLU A 93 14.685 -5.104 2.293 1.00 10.32 H new ATOM 0 HB2 GLU A 93 14.938 -3.590 4.936 1.00 41.41 H new ATOM 0 HB3 GLU A 93 15.998 -4.882 4.408 1.00 41.41 H new ATOM 0 HG2 GLU A 93 15.654 -2.222 2.970 1.00 41.44 H new ATOM 0 HG3 GLU A 93 16.963 -2.602 4.071 1.00 41.44 H new ATOM 945 N MET A 94 12.170 -5.404 4.186 1.00 44.23 N ATOM 946 CA MET A 94 11.274 -6.345 4.884 1.00 12.45 C ATOM 947 C MET A 94 10.201 -6.925 3.942 1.00 54.54 C ATOM 948 O MET A 94 9.159 -7.408 4.391 1.00 75.12 O ATOM 949 CB MET A 94 10.605 -5.646 6.080 1.00 53.31 C ATOM 950 CG MET A 94 11.535 -5.452 7.272 1.00 34.30 C ATOM 951 SD MET A 94 12.096 -7.018 7.972 1.00 31.13 S ATOM 952 CE MET A 94 10.532 -7.780 8.414 1.00 34.42 C ATOM 0 H MET A 94 11.721 -4.530 3.912 1.00 44.23 H new ATOM 0 HA MET A 94 11.882 -7.176 5.241 1.00 12.45 H new ATOM 0 HB2 MET A 94 10.231 -4.674 5.759 1.00 53.31 H new ATOM 0 HB3 MET A 94 9.741 -6.231 6.395 1.00 53.31 H new ATOM 0 HG2 MET A 94 12.400 -4.865 6.962 1.00 34.30 H new ATOM 0 HG3 MET A 94 11.019 -4.878 8.042 1.00 34.30 H new ATOM 0 HE1 MET A 94 10.704 -8.559 9.157 1.00 34.42 H new ATOM 0 HE2 MET A 94 9.864 -7.025 8.828 1.00 34.42 H new ATOM 0 HE3 MET A 94 10.077 -8.219 7.526 1.00 34.42 H new ATOM 962 N GLY A 95 10.466 -6.885 2.640 1.00 43.22 N ATOM 963 CA GLY A 95 9.542 -7.449 1.661 1.00 24.44 C ATOM 964 C GLY A 95 10.268 -8.130 0.507 1.00 53.22 C ATOM 965 O GLY A 95 11.210 -7.569 -0.055 1.00 51.21 O ATOM 0 H GLY A 95 11.308 -6.471 2.240 1.00 43.22 H new ATOM 0 HA2 GLY A 95 8.890 -8.170 2.153 1.00 24.44 H new ATOM 0 HA3 GLY A 95 8.903 -6.657 1.269 1.00 24.44 H new ATOM 969 N LYS A 96 9.833 -9.332 0.140 1.00 4.23 N ATOM 970 CA LYS A 96 10.490 -10.097 -0.930 1.00 10.05 C ATOM 971 C LYS A 96 9.915 -9.765 -2.313 1.00 41.42 C ATOM 972 O LYS A 96 8.706 -9.614 -2.480 1.00 52.24 O ATOM 973 CB LYS A 96 10.386 -11.595 -0.639 1.00 61.51 C ATOM 974 CG LYS A 96 11.233 -12.027 0.552 1.00 43.10 C ATOM 975 CD LYS A 96 12.722 -11.800 0.289 1.00 20.33 C ATOM 976 CE LYS A 96 13.572 -12.054 1.527 1.00 34.20 C ATOM 977 NZ LYS A 96 13.300 -11.070 2.606 1.00 15.13 N ATOM 0 H LYS A 96 9.032 -9.801 0.562 1.00 4.23 H new ATOM 0 HA LYS A 96 11.541 -9.810 -0.950 1.00 10.05 H new ATOM 0 HB2 LYS A 96 9.344 -11.852 -0.450 1.00 61.51 H new ATOM 0 HB3 LYS A 96 10.697 -12.154 -1.522 1.00 61.51 H new ATOM 0 HG2 LYS A 96 10.929 -11.469 1.438 1.00 43.10 H new ATOM 0 HG3 LYS A 96 11.056 -13.082 0.763 1.00 43.10 H new ATOM 0 HD2 LYS A 96 13.051 -12.457 -0.516 1.00 20.33 H new ATOM 0 HD3 LYS A 96 12.877 -10.776 -0.052 1.00 20.33 H new ATOM 0 HE2 LYS A 96 13.379 -13.060 1.898 1.00 34.20 H new ATOM 0 HE3 LYS A 96 14.627 -12.011 1.256 1.00 34.20 H new ATOM 0 HZ1 LYS A 96 14.050 -11.126 3.324 1.00 15.13 H new ATOM 0 HZ2 LYS A 96 13.277 -10.111 2.204 1.00 15.13 H new ATOM 0 HZ3 LYS A 96 12.382 -11.283 3.046 1.00 15.13 H new ATOM 991 N SER A 97 10.798 -9.693 -3.304 1.00 11.22 N ATOM 992 CA SER A 97 10.451 -9.179 -4.641 1.00 53.40 C ATOM 993 C SER A 97 9.617 -10.160 -5.481 1.00 50.31 C ATOM 994 O SER A 97 9.900 -11.357 -5.540 1.00 52.21 O ATOM 995 CB SER A 97 11.727 -8.818 -5.416 1.00 24.32 C ATOM 996 OG SER A 97 11.433 -8.438 -6.754 1.00 53.53 O ATOM 0 H SER A 97 11.771 -9.985 -3.212 1.00 11.22 H new ATOM 0 HA SER A 97 9.836 -8.295 -4.472 1.00 53.40 H new ATOM 0 HB2 SER A 97 12.243 -8.002 -4.910 1.00 24.32 H new ATOM 0 HB3 SER A 97 12.406 -9.671 -5.419 1.00 24.32 H new ATOM 0 HG SER A 97 12.265 -8.213 -7.220 1.00 53.53 H new ATOM 1002 N VAL A 98 8.598 -9.620 -6.152 1.00 74.20 N ATOM 1003 CA VAL A 98 7.795 -10.366 -7.136 1.00 4.23 C ATOM 1004 C VAL A 98 7.609 -9.543 -8.419 1.00 3.44 C ATOM 1005 O VAL A 98 7.402 -8.330 -8.368 1.00 32.41 O ATOM 1006 CB VAL A 98 6.404 -10.780 -6.580 1.00 70.52 C ATOM 1007 CG1 VAL A 98 6.491 -12.107 -5.835 1.00 54.01 C ATOM 1008 CG2 VAL A 98 5.836 -9.692 -5.672 1.00 31.15 C ATOM 0 H VAL A 98 8.302 -8.651 -6.032 1.00 74.20 H new ATOM 0 HA VAL A 98 8.348 -11.278 -7.360 1.00 4.23 H new ATOM 0 HB VAL A 98 5.728 -10.906 -7.426 1.00 70.52 H new ATOM 0 HG11 VAL A 98 5.506 -12.376 -5.455 1.00 54.01 H new ATOM 0 HG12 VAL A 98 6.842 -12.883 -6.515 1.00 54.01 H new ATOM 0 HG13 VAL A 98 7.187 -12.012 -5.002 1.00 54.01 H new ATOM 0 HG21 VAL A 98 4.862 -10.004 -5.295 1.00 31.15 H new ATOM 0 HG22 VAL A 98 6.513 -9.527 -4.834 1.00 31.15 H new ATOM 0 HG23 VAL A 98 5.726 -8.767 -6.238 1.00 31.15 H new ATOM 1018 N SER A 99 7.695 -10.210 -9.567 1.00 42.54 N ATOM 1019 CA SER A 99 7.625 -9.529 -10.871 1.00 22.43 C ATOM 1020 C SER A 99 6.193 -9.480 -11.435 1.00 73.11 C ATOM 1021 O SER A 99 5.251 -10.000 -10.833 1.00 71.34 O ATOM 1022 CB SER A 99 8.568 -10.209 -11.879 1.00 11.24 C ATOM 1023 OG SER A 99 8.570 -9.532 -13.129 1.00 71.11 O ATOM 0 H SER A 99 7.813 -11.221 -9.628 1.00 42.54 H new ATOM 0 HA SER A 99 7.943 -8.499 -10.710 1.00 22.43 H new ATOM 0 HB2 SER A 99 9.580 -10.231 -11.474 1.00 11.24 H new ATOM 0 HB3 SER A 99 8.260 -11.244 -12.025 1.00 11.24 H new ATOM 0 HG SER A 99 8.774 -8.584 -12.987 1.00 71.11 H new ATOM 1029 N ARG A 100 6.062 -8.875 -12.617 1.00 30.53 N ATOM 1030 CA ARG A 100 4.766 -8.617 -13.276 1.00 22.23 C ATOM 1031 C ARG A 100 3.760 -9.786 -13.171 1.00 15.11 C ATOM 1032 O ARG A 100 2.620 -9.596 -12.744 1.00 22.43 O ATOM 1033 CB ARG A 100 5.013 -8.294 -14.756 1.00 53.41 C ATOM 1034 CG ARG A 100 5.656 -6.932 -15.010 1.00 5.45 C ATOM 1035 CD ARG A 100 4.630 -5.802 -14.952 1.00 64.24 C ATOM 1036 NE ARG A 100 3.528 -6.028 -15.892 1.00 60.24 N ATOM 1037 CZ ARG A 100 2.913 -5.090 -16.560 1.00 1.04 C ATOM 1038 NH1 ARG A 100 3.271 -3.849 -16.455 1.00 51.42 N ATOM 1039 NH2 ARG A 100 1.945 -5.402 -17.356 1.00 15.13 N ATOM 0 H ARG A 100 6.861 -8.543 -13.157 1.00 30.53 H new ATOM 0 HA ARG A 100 4.313 -7.776 -12.751 1.00 22.23 H new ATOM 0 HB2 ARG A 100 5.652 -9.068 -15.182 1.00 53.41 H new ATOM 0 HB3 ARG A 100 4.062 -8.337 -15.288 1.00 53.41 H new ATOM 0 HG2 ARG A 100 6.435 -6.754 -14.269 1.00 5.45 H new ATOM 0 HG3 ARG A 100 6.139 -6.935 -15.987 1.00 5.45 H new ATOM 0 HD2 ARG A 100 4.235 -5.720 -13.940 1.00 64.24 H new ATOM 0 HD3 ARG A 100 5.117 -4.855 -15.182 1.00 64.24 H new ATOM 0 HE ARG A 100 3.219 -6.989 -16.035 1.00 60.24 H new ATOM 0 HH11 ARG A 100 4.045 -3.592 -15.843 1.00 51.42 H new ATOM 0 HH12 ARG A 100 2.779 -3.130 -16.985 1.00 51.42 H new ATOM 0 HH21 ARG A 100 1.665 -6.377 -17.460 1.00 15.13 H new ATOM 0 HH22 ARG A 100 1.461 -4.673 -17.880 1.00 15.13 H new ATOM 1053 N SER A 101 4.173 -10.982 -13.578 1.00 4.10 N ATOM 1054 CA SER A 101 3.264 -12.144 -13.616 1.00 33.01 C ATOM 1055 C SER A 101 3.128 -12.830 -12.247 1.00 23.11 C ATOM 1056 O SER A 101 2.213 -13.625 -12.033 1.00 74.43 O ATOM 1057 CB SER A 101 3.740 -13.167 -14.659 1.00 11.15 C ATOM 1058 OG SER A 101 3.727 -12.614 -15.972 1.00 11.04 O ATOM 0 H SER A 101 5.125 -11.181 -13.887 1.00 4.10 H new ATOM 0 HA SER A 101 2.282 -11.763 -13.895 1.00 33.01 H new ATOM 0 HB2 SER A 101 4.749 -13.499 -14.412 1.00 11.15 H new ATOM 0 HB3 SER A 101 3.098 -14.047 -14.627 1.00 11.15 H new ATOM 0 HG SER A 101 4.036 -13.287 -16.614 1.00 11.04 H new ATOM 1064 N ASN A 102 4.026 -12.512 -11.317 1.00 42.21 N ATOM 1065 CA ASN A 102 4.036 -13.165 -9.998 1.00 3.20 C ATOM 1066 C ASN A 102 3.352 -12.313 -8.912 1.00 44.42 C ATOM 1067 O ASN A 102 3.380 -12.668 -7.733 1.00 14.33 O ATOM 1068 CB ASN A 102 5.476 -13.491 -9.585 1.00 51.52 C ATOM 1069 CG ASN A 102 6.102 -14.552 -10.471 1.00 21.32 C ATOM 1070 OD1 ASN A 102 5.993 -15.746 -10.205 1.00 14.14 O ATOM 1071 ND2 ASN A 102 6.756 -14.133 -11.535 1.00 13.44 N ATOM 0 H ASN A 102 4.755 -11.810 -11.446 1.00 42.21 H new ATOM 0 HA ASN A 102 3.462 -14.087 -10.090 1.00 3.20 H new ATOM 0 HB2 ASN A 102 6.078 -12.583 -9.627 1.00 51.52 H new ATOM 0 HB3 ASN A 102 5.487 -13.832 -8.550 1.00 51.52 H new ATOM 0 HD21 ASN A 102 7.190 -14.807 -12.165 1.00 13.44 H new ATOM 0 HD22 ASN A 102 6.829 -13.134 -11.728 1.00 13.44 H new ATOM 1078 N LEU A 103 2.733 -11.202 -9.315 1.00 11.12 N ATOM 1079 CA LEU A 103 1.999 -10.334 -8.377 1.00 4.32 C ATOM 1080 C LEU A 103 0.803 -11.068 -7.746 1.00 15.41 C ATOM 1081 O LEU A 103 0.074 -11.797 -8.431 1.00 70.23 O ATOM 1082 CB LEU A 103 1.513 -9.069 -9.098 1.00 73.43 C ATOM 1083 CG LEU A 103 2.617 -8.221 -9.751 1.00 33.25 C ATOM 1084 CD1 LEU A 103 2.024 -6.985 -10.427 1.00 14.41 C ATOM 1085 CD2 LEU A 103 3.675 -7.827 -8.723 1.00 72.25 C ATOM 0 H LEU A 103 2.722 -10.878 -10.282 1.00 11.12 H new ATOM 0 HA LEU A 103 2.684 -10.056 -7.576 1.00 4.32 H new ATOM 0 HB2 LEU A 103 0.799 -9.361 -9.868 1.00 73.43 H new ATOM 0 HB3 LEU A 103 0.975 -8.447 -8.383 1.00 73.43 H new ATOM 0 HG LEU A 103 3.101 -8.824 -10.519 1.00 33.25 H new ATOM 0 HD11 LEU A 103 2.824 -6.400 -10.882 1.00 14.41 H new ATOM 0 HD12 LEU A 103 1.318 -7.295 -11.197 1.00 14.41 H new ATOM 0 HD13 LEU A 103 1.507 -6.377 -9.685 1.00 14.41 H new ATOM 0 HD21 LEU A 103 4.446 -7.228 -9.206 1.00 72.25 H new ATOM 0 HD22 LEU A 103 3.210 -7.246 -7.927 1.00 72.25 H new ATOM 0 HD23 LEU A 103 4.125 -8.726 -8.301 1.00 72.25 H new ATOM 1097 N ARG A 104 0.600 -10.868 -6.444 1.00 60.12 N ATOM 1098 CA ARG A 104 -0.481 -11.536 -5.704 1.00 32.13 C ATOM 1099 C ARG A 104 -1.049 -10.622 -4.610 1.00 52.04 C ATOM 1100 O ARG A 104 -0.296 -10.015 -3.851 1.00 55.15 O ATOM 1101 CB ARG A 104 0.024 -12.837 -5.055 1.00 10.12 C ATOM 1102 CG ARG A 104 0.487 -13.907 -6.042 1.00 21.11 C ATOM 1103 CD ARG A 104 0.904 -15.190 -5.328 1.00 33.24 C ATOM 1104 NE ARG A 104 1.347 -16.221 -6.263 1.00 21.30 N ATOM 1105 CZ ARG A 104 1.530 -17.473 -5.945 1.00 22.43 C ATOM 1106 NH1 ARG A 104 1.252 -17.894 -4.756 1.00 21.24 N ATOM 1107 NH2 ARG A 104 1.960 -18.309 -6.830 1.00 22.32 N ATOM 0 H ARG A 104 1.172 -10.245 -5.873 1.00 60.12 H new ATOM 0 HA ARG A 104 -1.268 -11.768 -6.421 1.00 32.13 H new ATOM 0 HB2 ARG A 104 0.851 -12.596 -4.387 1.00 10.12 H new ATOM 0 HB3 ARG A 104 -0.773 -13.252 -4.438 1.00 10.12 H new ATOM 0 HG2 ARG A 104 -0.317 -14.126 -6.745 1.00 21.11 H new ATOM 0 HG3 ARG A 104 1.325 -13.526 -6.625 1.00 21.11 H new ATOM 0 HD2 ARG A 104 1.708 -14.969 -4.626 1.00 33.24 H new ATOM 0 HD3 ARG A 104 0.065 -15.568 -4.743 1.00 33.24 H new ATOM 0 HE ARG A 104 1.525 -15.944 -7.228 1.00 21.30 H new ATOM 0 HH11 ARG A 104 0.887 -17.246 -4.058 1.00 21.24 H new ATOM 0 HH12 ARG A 104 1.398 -18.874 -4.515 1.00 21.24 H new ATOM 0 HH21 ARG A 104 2.157 -17.991 -7.779 1.00 22.32 H new ATOM 0 HH22 ARG A 104 2.103 -19.288 -6.580 1.00 22.32 H new ATOM 1121 N THR A 105 -2.381 -10.554 -4.521 1.00 71.40 N ATOM 1122 CA THR A 105 -3.059 -9.721 -3.512 1.00 22.41 C ATOM 1123 C THR A 105 -2.418 -9.871 -2.125 1.00 33.43 C ATOM 1124 O THR A 105 -2.645 -10.859 -1.423 1.00 55.21 O ATOM 1125 CB THR A 105 -4.562 -10.073 -3.401 1.00 42.11 C ATOM 1126 OG1 THR A 105 -5.205 -9.926 -4.679 1.00 65.02 O ATOM 1127 CG2 THR A 105 -5.264 -9.190 -2.373 1.00 55.42 C ATOM 0 H THR A 105 -3.015 -11.065 -5.135 1.00 71.40 H new ATOM 0 HA THR A 105 -2.951 -8.690 -3.848 1.00 22.41 H new ATOM 0 HB THR A 105 -4.635 -11.110 -3.074 1.00 42.11 H new ATOM 0 HG1 THR A 105 -5.745 -9.108 -4.681 1.00 65.02 H new ATOM 0 HG21 THR A 105 -6.318 -9.462 -2.319 1.00 55.42 H new ATOM 0 HG22 THR A 105 -4.802 -9.331 -1.396 1.00 55.42 H new ATOM 0 HG23 THR A 105 -5.174 -8.145 -2.669 1.00 55.42 H new ATOM 1135 N GLY A 106 -1.612 -8.883 -1.746 1.00 20.22 N ATOM 1136 CA GLY A 106 -0.880 -8.939 -0.486 1.00 24.41 C ATOM 1137 C GLY A 106 0.554 -8.423 -0.600 1.00 52.00 C ATOM 1138 O GLY A 106 1.250 -8.288 0.414 1.00 21.44 O ATOM 0 H GLY A 106 -1.450 -8.037 -2.292 1.00 20.22 H new ATOM 0 HA2 GLY A 106 -1.412 -8.352 0.262 1.00 24.41 H new ATOM 0 HA3 GLY A 106 -0.862 -9.969 -0.129 1.00 24.41 H new ATOM 1142 N ASP A 107 1.014 -8.151 -1.827 1.00 60.44 N ATOM 1143 CA ASP A 107 2.346 -7.573 -2.028 1.00 53.50 C ATOM 1144 C ASP A 107 2.310 -6.036 -1.977 1.00 32.35 C ATOM 1145 O ASP A 107 1.255 -5.411 -2.120 1.00 40.41 O ATOM 1146 CB ASP A 107 2.978 -8.063 -3.347 1.00 72.20 C ATOM 1147 CG ASP A 107 2.243 -7.588 -4.592 1.00 64.20 C ATOM 1148 OD1 ASP A 107 2.452 -6.428 -4.997 1.00 55.15 O ATOM 1149 OD2 ASP A 107 1.483 -8.384 -5.179 1.00 50.04 O ATOM 0 H ASP A 107 0.490 -8.320 -2.686 1.00 60.44 H new ATOM 0 HA ASP A 107 2.973 -7.918 -1.206 1.00 53.50 H new ATOM 0 HB2 ASP A 107 4.012 -7.720 -3.393 1.00 72.20 H new ATOM 0 HB3 ASP A 107 3.003 -9.153 -3.344 1.00 72.20 H new ATOM 1154 N LEU A 108 3.472 -5.438 -1.740 1.00 75.04 N ATOM 1155 CA LEU A 108 3.599 -3.983 -1.677 1.00 43.25 C ATOM 1156 C LEU A 108 4.298 -3.445 -2.931 1.00 15.10 C ATOM 1157 O LEU A 108 5.472 -3.738 -3.172 1.00 35.23 O ATOM 1158 CB LEU A 108 4.387 -3.575 -0.425 1.00 73.20 C ATOM 1159 CG LEU A 108 3.860 -4.146 0.903 1.00 14.02 C ATOM 1160 CD1 LEU A 108 4.596 -3.528 2.090 1.00 74.11 C ATOM 1161 CD2 LEU A 108 2.353 -3.933 1.024 1.00 1.31 C ATOM 0 H LEU A 108 4.346 -5.941 -1.587 1.00 75.04 H new ATOM 0 HA LEU A 108 2.598 -3.554 -1.626 1.00 43.25 H new ATOM 0 HB2 LEU A 108 5.423 -3.890 -0.550 1.00 73.20 H new ATOM 0 HB3 LEU A 108 4.390 -2.487 -0.357 1.00 73.20 H new ATOM 0 HG LEU A 108 4.051 -5.219 0.911 1.00 14.02 H new ATOM 0 HD11 LEU A 108 4.206 -3.947 3.018 1.00 74.11 H new ATOM 0 HD12 LEU A 108 5.661 -3.747 2.012 1.00 74.11 H new ATOM 0 HD13 LEU A 108 4.447 -2.448 2.089 1.00 74.11 H new ATOM 0 HD21 LEU A 108 2.002 -4.344 1.970 1.00 1.31 H new ATOM 0 HD22 LEU A 108 2.132 -2.866 0.988 1.00 1.31 H new ATOM 0 HD23 LEU A 108 1.847 -4.436 0.200 1.00 1.31 H new ATOM 1173 N VAL A 109 3.593 -2.626 -3.699 1.00 23.14 N ATOM 1174 CA VAL A 109 4.110 -2.126 -4.974 1.00 2.00 C ATOM 1175 C VAL A 109 4.794 -0.757 -4.809 1.00 2.02 C ATOM 1176 O VAL A 109 4.180 0.220 -4.377 1.00 52.24 O ATOM 1177 CB VAL A 109 2.982 -2.026 -6.040 1.00 60.23 C ATOM 1178 CG1 VAL A 109 2.552 -3.417 -6.506 1.00 22.35 C ATOM 1179 CG2 VAL A 109 1.779 -1.254 -5.492 1.00 71.44 C ATOM 0 H VAL A 109 2.659 -2.291 -3.464 1.00 23.14 H new ATOM 0 HA VAL A 109 4.854 -2.844 -5.318 1.00 2.00 H new ATOM 0 HB VAL A 109 3.378 -1.481 -6.897 1.00 60.23 H new ATOM 0 HG11 VAL A 109 1.762 -3.323 -7.251 1.00 22.35 H new ATOM 0 HG12 VAL A 109 3.406 -3.934 -6.945 1.00 22.35 H new ATOM 0 HG13 VAL A 109 2.181 -3.988 -5.654 1.00 22.35 H new ATOM 0 HG21 VAL A 109 1.004 -1.198 -6.256 1.00 71.44 H new ATOM 0 HG22 VAL A 109 1.386 -1.767 -4.614 1.00 71.44 H new ATOM 0 HG23 VAL A 109 2.089 -0.246 -5.215 1.00 71.44 H new ATOM 1189 N LEU A 110 6.083 -0.714 -5.137 1.00 40.42 N ATOM 1190 CA LEU A 110 6.884 0.510 -5.035 1.00 63.05 C ATOM 1191 C LEU A 110 6.862 1.305 -6.346 1.00 0.35 C ATOM 1192 O LEU A 110 7.083 0.752 -7.424 1.00 45.11 O ATOM 1193 CB LEU A 110 8.338 0.163 -4.678 1.00 63.32 C ATOM 1194 CG LEU A 110 8.548 -0.460 -3.291 1.00 0.01 C ATOM 1195 CD1 LEU A 110 9.987 -0.940 -3.127 1.00 53.34 C ATOM 1196 CD2 LEU A 110 8.186 0.537 -2.192 1.00 63.13 C ATOM 0 H LEU A 110 6.603 -1.522 -5.480 1.00 40.42 H new ATOM 0 HA LEU A 110 6.446 1.125 -4.249 1.00 63.05 H new ATOM 0 HB2 LEU A 110 8.723 -0.527 -5.429 1.00 63.32 H new ATOM 0 HB3 LEU A 110 8.936 1.072 -4.743 1.00 63.32 H new ATOM 0 HG LEU A 110 7.888 -1.323 -3.202 1.00 0.01 H new ATOM 0 HD11 LEU A 110 10.114 -1.378 -2.137 1.00 53.34 H new ATOM 0 HD12 LEU A 110 10.209 -1.689 -3.887 1.00 53.34 H new ATOM 0 HD13 LEU A 110 10.667 -0.096 -3.240 1.00 53.34 H new ATOM 0 HD21 LEU A 110 8.342 0.076 -1.217 1.00 63.13 H new ATOM 0 HD22 LEU A 110 8.817 1.421 -2.280 1.00 63.13 H new ATOM 0 HD23 LEU A 110 7.140 0.827 -2.293 1.00 63.13 H new ATOM 1208 N PHE A 111 6.613 2.606 -6.244 1.00 4.11 N ATOM 1209 CA PHE A 111 6.621 3.495 -7.407 1.00 62.33 C ATOM 1210 C PHE A 111 7.631 4.629 -7.223 1.00 2.15 C ATOM 1211 O PHE A 111 7.698 5.248 -6.161 1.00 12.34 O ATOM 1212 CB PHE A 111 5.225 4.086 -7.642 1.00 13.41 C ATOM 1213 CG PHE A 111 4.167 3.045 -7.877 1.00 42.33 C ATOM 1214 CD1 PHE A 111 4.005 2.475 -9.132 1.00 41.12 C ATOM 1215 CD2 PHE A 111 3.343 2.629 -6.844 1.00 75.54 C ATOM 1216 CE1 PHE A 111 3.041 1.511 -9.347 1.00 60.32 C ATOM 1217 CE2 PHE A 111 2.381 1.666 -7.055 1.00 22.22 C ATOM 1218 CZ PHE A 111 2.230 1.108 -8.309 1.00 4.45 C ATOM 0 H PHE A 111 6.401 3.074 -5.363 1.00 4.11 H new ATOM 0 HA PHE A 111 6.912 2.903 -8.275 1.00 62.33 H new ATOM 0 HB2 PHE A 111 4.944 4.690 -6.779 1.00 13.41 H new ATOM 0 HB3 PHE A 111 5.262 4.756 -8.501 1.00 13.41 H new ATOM 0 HD1 PHE A 111 4.639 2.789 -9.948 1.00 41.12 H new ATOM 0 HD2 PHE A 111 3.456 3.065 -5.862 1.00 75.54 H new ATOM 0 HE1 PHE A 111 2.923 1.073 -10.327 1.00 60.32 H new ATOM 0 HE2 PHE A 111 1.746 1.348 -6.241 1.00 22.22 H new ATOM 0 HZ PHE A 111 1.475 0.354 -8.476 1.00 4.45 H new ATOM 1228 N ARG A 112 8.424 4.894 -8.254 1.00 23.41 N ATOM 1229 CA ARG A 112 9.344 6.032 -8.236 1.00 44.12 C ATOM 1230 C ARG A 112 8.632 7.279 -8.768 1.00 45.54 C ATOM 1231 O ARG A 112 8.604 7.524 -9.972 1.00 44.21 O ATOM 1232 CB ARG A 112 10.597 5.731 -9.075 1.00 14.54 C ATOM 1233 CG ARG A 112 11.402 4.537 -8.568 1.00 35.03 C ATOM 1234 CD ARG A 112 12.638 4.282 -9.424 1.00 74.01 C ATOM 1235 NE ARG A 112 13.602 5.377 -9.351 1.00 43.14 N ATOM 1236 CZ ARG A 112 14.512 5.614 -10.255 1.00 1.32 C ATOM 1237 NH1 ARG A 112 14.576 4.908 -11.338 1.00 52.05 N ATOM 1238 NH2 ARG A 112 15.354 6.577 -10.083 1.00 74.44 N ATOM 0 H ARG A 112 8.451 4.341 -9.111 1.00 23.41 H new ATOM 0 HA ARG A 112 9.660 6.212 -7.209 1.00 44.12 H new ATOM 0 HB2 ARG A 112 10.297 5.544 -10.106 1.00 14.54 H new ATOM 0 HB3 ARG A 112 11.238 6.613 -9.084 1.00 14.54 H new ATOM 0 HG2 ARG A 112 11.705 4.715 -7.536 1.00 35.03 H new ATOM 0 HG3 ARG A 112 10.771 3.648 -8.566 1.00 35.03 H new ATOM 0 HD2 ARG A 112 13.117 3.358 -9.100 1.00 74.01 H new ATOM 0 HD3 ARG A 112 12.335 4.137 -10.461 1.00 74.01 H new ATOM 0 HE ARG A 112 13.561 5.996 -8.541 1.00 43.14 H new ATOM 0 HH11 ARG A 112 13.908 4.153 -11.495 1.00 52.05 H new ATOM 0 HH12 ARG A 112 15.294 5.107 -12.035 1.00 52.05 H new ATOM 0 HH21 ARG A 112 15.307 7.151 -9.241 1.00 74.44 H new ATOM 0 HH22 ARG A 112 16.066 6.764 -10.789 1.00 74.44 H new ATOM 1252 N ALA A 113 8.033 8.049 -7.868 1.00 62.14 N ATOM 1253 CA ALA A 113 7.232 9.212 -8.258 1.00 74.34 C ATOM 1254 C ALA A 113 8.074 10.495 -8.287 1.00 54.21 C ATOM 1255 O ALA A 113 8.948 10.700 -7.446 1.00 53.12 O ATOM 1256 CB ALA A 113 6.047 9.368 -7.310 1.00 11.41 C ATOM 0 H ALA A 113 8.084 7.892 -6.861 1.00 62.14 H new ATOM 0 HA ALA A 113 6.861 9.044 -9.269 1.00 74.34 H new ATOM 0 HB1 ALA A 113 5.456 10.235 -7.606 1.00 11.41 H new ATOM 0 HB2 ALA A 113 5.426 8.473 -7.353 1.00 11.41 H new ATOM 0 HB3 ALA A 113 6.411 9.508 -6.292 1.00 11.41 H new ATOM 1301 N ARG A 118 10.183 7.864 -3.614 1.00 31.22 N ATOM 1302 CA ARG A 118 9.737 6.504 -3.288 1.00 60.30 C ATOM 1303 C ARG A 118 8.296 6.500 -2.752 1.00 53.42 C ATOM 1304 O ARG A 118 7.987 7.166 -1.766 1.00 3.12 O ATOM 1305 CB ARG A 118 10.679 5.864 -2.253 1.00 4.54 C ATOM 1306 CG ARG A 118 12.022 5.408 -2.825 1.00 12.51 C ATOM 1307 CD ARG A 118 11.855 4.230 -3.779 1.00 43.23 C ATOM 1308 NE ARG A 118 13.139 3.656 -4.186 1.00 60.50 N ATOM 1309 CZ ARG A 118 13.408 2.375 -4.168 1.00 3.11 C ATOM 1310 NH1 ARG A 118 12.539 1.523 -3.728 1.00 22.23 N ATOM 1311 NH2 ARG A 118 14.555 1.943 -4.578 1.00 42.10 N ATOM 0 HA ARG A 118 9.762 5.919 -4.208 1.00 60.30 H new ATOM 0 HB2 ARG A 118 10.862 6.581 -1.453 1.00 4.54 H new ATOM 0 HB3 ARG A 118 10.178 5.006 -1.804 1.00 4.54 H new ATOM 0 HG2 ARG A 118 12.495 6.238 -3.350 1.00 12.51 H new ATOM 0 HG3 ARG A 118 12.688 5.125 -2.010 1.00 12.51 H new ATOM 0 HD2 ARG A 118 11.251 3.460 -3.299 1.00 43.23 H new ATOM 0 HD3 ARG A 118 11.309 4.557 -4.664 1.00 43.23 H new ATOM 0 HE ARG A 118 13.869 4.294 -4.503 1.00 60.50 H new ATOM 0 HH11 ARG A 118 11.633 1.847 -3.390 1.00 22.23 H new ATOM 0 HH12 ARG A 118 12.760 0.527 -3.719 1.00 22.23 H new ATOM 0 HH21 ARG A 118 15.256 2.601 -4.918 1.00 42.10 H new ATOM 0 HH22 ARG A 118 14.759 0.944 -4.562 1.00 42.10 H new ATOM 1325 N HIS A 119 7.423 5.752 -3.416 1.00 25.23 N ATOM 1326 CA HIS A 119 6.032 5.586 -2.979 1.00 75.35 C ATOM 1327 C HIS A 119 5.682 4.092 -2.886 1.00 4.30 C ATOM 1328 O HIS A 119 6.363 3.255 -3.482 1.00 65.32 O ATOM 1329 CB HIS A 119 5.091 6.304 -3.958 1.00 52.12 C ATOM 1330 CG HIS A 119 3.655 6.302 -3.527 1.00 10.25 C ATOM 1331 ND1 HIS A 119 3.213 7.129 -2.525 1.00 3.14 N ATOM 1332 CD2 HIS A 119 2.616 5.554 -3.976 1.00 32.21 C ATOM 1333 CE1 HIS A 119 1.928 6.870 -2.381 1.00 54.43 C ATOM 1334 NE2 HIS A 119 1.525 5.923 -3.236 1.00 23.21 N ATOM 0 H HIS A 119 7.653 5.243 -4.270 1.00 25.23 H new ATOM 0 HA HIS A 119 5.910 6.028 -1.990 1.00 75.35 H new ATOM 0 HB2 HIS A 119 5.424 7.335 -4.077 1.00 52.12 H new ATOM 0 HB3 HIS A 119 5.168 5.829 -4.936 1.00 52.12 H new ATOM 0 HD2 HIS A 119 2.644 4.814 -4.762 1.00 32.21 H new ATOM 0 HE1 HIS A 119 1.284 7.359 -1.665 1.00 54.43 H new ATOM 0 HE2 HIS A 119 0.581 5.546 -3.321 1.00 23.21 H new ATOM 1342 N VAL A 120 4.628 3.754 -2.142 1.00 33.54 N ATOM 1343 CA VAL A 120 4.240 2.347 -1.958 1.00 34.50 C ATOM 1344 C VAL A 120 2.718 2.176 -1.801 1.00 53.54 C ATOM 1345 O VAL A 120 2.048 2.988 -1.160 1.00 51.22 O ATOM 1346 CB VAL A 120 4.961 1.722 -0.730 1.00 32.31 C ATOM 1347 CG1 VAL A 120 4.586 2.447 0.562 1.00 44.53 C ATOM 1348 CG2 VAL A 120 4.665 0.224 -0.618 1.00 55.30 C ATOM 0 H VAL A 120 4.030 4.425 -1.659 1.00 33.54 H new ATOM 0 HA VAL A 120 4.548 1.823 -2.863 1.00 34.50 H new ATOM 0 HB VAL A 120 6.033 1.843 -0.883 1.00 32.31 H new ATOM 0 HG11 VAL A 120 5.106 1.986 1.402 1.00 44.53 H new ATOM 0 HG12 VAL A 120 4.874 3.496 0.488 1.00 44.53 H new ATOM 0 HG13 VAL A 120 3.510 2.377 0.719 1.00 44.53 H new ATOM 0 HG21 VAL A 120 5.183 -0.185 0.250 1.00 55.30 H new ATOM 0 HG22 VAL A 120 3.591 0.073 -0.505 1.00 55.30 H new ATOM 0 HG23 VAL A 120 5.010 -0.283 -1.519 1.00 55.30 H new ATOM 1358 N GLY A 121 2.183 1.111 -2.397 1.00 23.34 N ATOM 1359 CA GLY A 121 0.764 0.792 -2.260 1.00 11.33 C ATOM 1360 C GLY A 121 0.523 -0.694 -1.996 1.00 22.12 C ATOM 1361 O GLY A 121 1.394 -1.525 -2.256 1.00 63.50 O ATOM 0 H GLY A 121 2.709 0.457 -2.977 1.00 23.34 H new ATOM 0 HA2 GLY A 121 0.340 1.377 -1.443 1.00 11.33 H new ATOM 0 HA3 GLY A 121 0.239 1.087 -3.169 1.00 11.33 H new ATOM 1365 N ILE A 122 -0.654 -1.032 -1.473 1.00 43.05 N ATOM 1366 CA ILE A 122 -0.998 -2.431 -1.175 1.00 74.44 C ATOM 1367 C ILE A 122 -1.773 -3.070 -2.339 1.00 53.12 C ATOM 1368 O ILE A 122 -2.918 -2.695 -2.609 1.00 1.13 O ATOM 1369 CB ILE A 122 -1.861 -2.537 0.104 1.00 24.11 C ATOM 1370 CG1 ILE A 122 -1.234 -1.737 1.255 1.00 21.00 C ATOM 1371 CG2 ILE A 122 -2.043 -4.000 0.504 1.00 41.11 C ATOM 1372 CD1 ILE A 122 -2.090 -1.699 2.507 1.00 23.32 C ATOM 0 H ILE A 122 -1.388 -0.361 -1.245 1.00 43.05 H new ATOM 0 HA ILE A 122 -0.058 -2.961 -1.024 1.00 74.44 H new ATOM 0 HB ILE A 122 -2.841 -2.111 -0.109 1.00 24.11 H new ATOM 0 HG12 ILE A 122 -0.265 -2.170 1.501 1.00 21.00 H new ATOM 0 HG13 ILE A 122 -1.051 -0.716 0.919 1.00 21.00 H new ATOM 0 HG21 ILE A 122 -2.653 -4.058 1.406 1.00 41.11 H new ATOM 0 HG22 ILE A 122 -2.538 -4.539 -0.304 1.00 41.11 H new ATOM 0 HG23 ILE A 122 -1.068 -4.449 0.696 1.00 41.11 H new ATOM 0 HD11 ILE A 122 -1.583 -1.117 3.277 1.00 23.32 H new ATOM 0 HD12 ILE A 122 -3.051 -1.238 2.277 1.00 23.32 H new ATOM 0 HD13 ILE A 122 -2.252 -2.715 2.868 1.00 23.32 H new ATOM 1384 N TYR A 123 -1.154 -4.037 -3.017 1.00 42.24 N ATOM 1385 CA TYR A 123 -1.768 -4.688 -4.181 1.00 34.34 C ATOM 1386 C TYR A 123 -3.031 -5.483 -3.788 1.00 41.25 C ATOM 1387 O TYR A 123 -2.950 -6.479 -3.064 1.00 64.01 O ATOM 1388 CB TYR A 123 -0.749 -5.615 -4.858 1.00 52.51 C ATOM 1389 CG TYR A 123 -1.222 -6.191 -6.180 1.00 14.43 C ATOM 1390 CD1 TYR A 123 -1.030 -5.496 -7.369 1.00 73.43 C ATOM 1391 CD2 TYR A 123 -1.864 -7.425 -6.239 1.00 45.22 C ATOM 1392 CE1 TYR A 123 -1.464 -6.010 -8.573 1.00 12.13 C ATOM 1393 CE2 TYR A 123 -2.299 -7.945 -7.441 1.00 30.24 C ATOM 1394 CZ TYR A 123 -2.098 -7.234 -8.605 1.00 32.43 C ATOM 1395 OH TYR A 123 -2.547 -7.741 -9.805 1.00 24.44 O ATOM 0 H TYR A 123 -0.226 -4.389 -2.782 1.00 42.24 H new ATOM 0 HA TYR A 123 -2.072 -3.909 -4.880 1.00 34.34 H new ATOM 0 HB2 TYR A 123 0.176 -5.062 -5.024 1.00 52.51 H new ATOM 0 HB3 TYR A 123 -0.512 -6.435 -4.180 1.00 52.51 H new ATOM 0 HD1 TYR A 123 -0.533 -4.538 -7.349 1.00 73.43 H new ATOM 0 HD2 TYR A 123 -2.024 -7.984 -5.329 1.00 45.22 H new ATOM 0 HE1 TYR A 123 -1.308 -5.456 -9.487 1.00 12.13 H new ATOM 0 HE2 TYR A 123 -2.794 -8.904 -7.470 1.00 30.24 H new ATOM 0 HH TYR A 123 -2.970 -8.612 -9.654 1.00 24.44 H new ATOM 1405 N ILE A 124 -4.199 -5.037 -4.264 1.00 13.14 N ATOM 1406 CA ILE A 124 -5.468 -5.714 -3.955 1.00 43.44 C ATOM 1407 C ILE A 124 -5.921 -6.650 -5.093 1.00 11.45 C ATOM 1408 O ILE A 124 -6.733 -7.551 -4.874 1.00 63.01 O ATOM 1409 CB ILE A 124 -6.601 -4.700 -3.640 1.00 65.43 C ATOM 1410 CG1 ILE A 124 -6.918 -3.830 -4.867 1.00 43.41 C ATOM 1411 CG2 ILE A 124 -6.215 -3.829 -2.443 1.00 54.33 C ATOM 1412 CD1 ILE A 124 -8.036 -2.826 -4.647 1.00 74.55 C ATOM 0 H ILE A 124 -4.294 -4.216 -4.861 1.00 13.14 H new ATOM 0 HA ILE A 124 -5.276 -6.317 -3.067 1.00 43.44 H new ATOM 0 HB ILE A 124 -7.501 -5.260 -3.386 1.00 65.43 H new ATOM 0 HG12 ILE A 124 -6.016 -3.293 -5.161 1.00 43.41 H new ATOM 0 HG13 ILE A 124 -7.187 -4.480 -5.699 1.00 43.41 H new ATOM 0 HG21 ILE A 124 -7.018 -3.123 -2.233 1.00 54.33 H new ATOM 0 HG22 ILE A 124 -6.051 -4.462 -1.571 1.00 54.33 H new ATOM 0 HG23 ILE A 124 -5.301 -3.281 -2.671 1.00 54.33 H new ATOM 0 HD11 ILE A 124 -8.196 -2.253 -5.561 1.00 74.55 H new ATOM 0 HD12 ILE A 124 -8.953 -3.354 -4.385 1.00 74.55 H new ATOM 0 HD13 ILE A 124 -7.763 -2.149 -3.838 1.00 74.55 H new ATOM 1424 N GLY A 125 -5.402 -6.434 -6.303 1.00 33.10 N ATOM 1425 CA GLY A 125 -5.723 -7.315 -7.428 1.00 14.41 C ATOM 1426 C GLY A 125 -5.911 -6.578 -8.754 1.00 11.41 C ATOM 1427 O GLY A 125 -6.356 -5.431 -8.776 1.00 42.51 O ATOM 0 H GLY A 125 -4.767 -5.668 -6.528 1.00 33.10 H new ATOM 0 HA2 GLY A 125 -4.926 -8.050 -7.541 1.00 14.41 H new ATOM 0 HA3 GLY A 125 -6.634 -7.867 -7.197 1.00 14.41 H new ATOM 1431 N ASN A 126 -5.554 -7.242 -9.860 1.00 54.12 N ATOM 1432 CA ASN A 126 -5.762 -6.699 -11.216 1.00 32.25 C ATOM 1433 C ASN A 126 -5.052 -5.349 -11.419 1.00 44.25 C ATOM 1434 O ASN A 126 -5.584 -4.441 -12.064 1.00 74.34 O ATOM 1435 CB ASN A 126 -7.265 -6.565 -11.505 1.00 33.34 C ATOM 1436 CG ASN A 126 -7.972 -7.909 -11.549 1.00 5.21 C ATOM 1437 OD1 ASN A 126 -9.125 -8.034 -11.145 1.00 74.44 O ATOM 1438 ND2 ASN A 126 -7.303 -8.927 -12.059 1.00 73.23 N ATOM 0 H ASN A 126 -5.116 -8.163 -9.846 1.00 54.12 H new ATOM 0 HA ASN A 126 -5.319 -7.402 -11.922 1.00 32.25 H new ATOM 0 HB2 ASN A 126 -7.725 -5.941 -10.738 1.00 33.34 H new ATOM 0 HB3 ASN A 126 -7.404 -6.054 -12.458 1.00 33.34 H new ATOM 0 HD21 ASN A 126 -7.743 -9.845 -12.125 1.00 73.23 H new ATOM 0 HD22 ASN A 126 -6.346 -8.795 -12.387 1.00 73.23 H new ATOM 1445 N ASN A 127 -3.837 -5.243 -10.877 1.00 2.10 N ATOM 1446 CA ASN A 127 -3.028 -4.011 -10.956 1.00 53.10 C ATOM 1447 C ASN A 127 -3.627 -2.862 -10.126 1.00 72.34 C ATOM 1448 O ASN A 127 -3.102 -1.750 -10.142 1.00 12.14 O ATOM 1449 CB ASN A 127 -2.835 -3.567 -12.414 1.00 22.15 C ATOM 1450 CG ASN A 127 -2.112 -4.609 -13.249 1.00 63.15 C ATOM 1451 OD1 ASN A 127 -1.299 -5.376 -12.743 1.00 21.34 O ATOM 1452 ND2 ASN A 127 -2.398 -4.647 -14.532 1.00 12.33 N ATOM 0 H ASN A 127 -3.382 -6.003 -10.371 1.00 2.10 H new ATOM 0 HA ASN A 127 -2.055 -4.252 -10.529 1.00 53.10 H new ATOM 0 HB2 ASN A 127 -3.808 -3.361 -12.859 1.00 22.15 H new ATOM 0 HB3 ASN A 127 -2.271 -2.634 -12.435 1.00 22.15 H new ATOM 0 HD21 ASN A 127 -1.939 -5.328 -15.137 1.00 12.33 H new ATOM 0 HD22 ASN A 127 -3.079 -3.995 -14.922 1.00 12.33 H new ATOM 1459 N GLN A 128 -4.716 -3.130 -9.406 1.00 72.51 N ATOM 1460 CA GLN A 128 -5.303 -2.141 -8.496 1.00 24.35 C ATOM 1461 C GLN A 128 -4.699 -2.267 -7.095 1.00 34.33 C ATOM 1462 O GLN A 128 -4.344 -3.363 -6.651 1.00 51.54 O ATOM 1463 CB GLN A 128 -6.831 -2.289 -8.421 1.00 34.25 C ATOM 1464 CG GLN A 128 -7.537 -2.025 -9.743 1.00 35.11 C ATOM 1465 CD GLN A 128 -9.055 -1.953 -9.626 1.00 21.22 C ATOM 1466 OE1 GLN A 128 -9.716 -1.259 -10.396 1.00 14.45 O ATOM 1467 NE2 GLN A 128 -9.623 -2.658 -8.668 1.00 60.22 N ATOM 0 H GLN A 128 -5.211 -4.022 -9.434 1.00 72.51 H new ATOM 0 HA GLN A 128 -5.072 -1.153 -8.894 1.00 24.35 H new ATOM 0 HB2 GLN A 128 -7.073 -3.297 -8.085 1.00 34.25 H new ATOM 0 HB3 GLN A 128 -7.217 -1.601 -7.669 1.00 34.25 H new ATOM 0 HG2 GLN A 128 -7.169 -1.087 -10.160 1.00 35.11 H new ATOM 0 HG3 GLN A 128 -7.273 -2.813 -10.449 1.00 35.11 H new ATOM 0 HE21 GLN A 128 -9.049 -3.225 -8.044 1.00 60.22 H new ATOM 0 HE22 GLN A 128 -10.636 -2.636 -8.551 1.00 60.22 H new ATOM 1476 N PHE A 129 -4.593 -1.143 -6.405 1.00 71.31 N ATOM 1477 CA PHE A 129 -3.983 -1.106 -5.072 1.00 44.14 C ATOM 1478 C PHE A 129 -4.488 0.082 -4.242 1.00 3.30 C ATOM 1479 O PHE A 129 -4.875 1.118 -4.783 1.00 14.40 O ATOM 1480 CB PHE A 129 -2.448 -1.059 -5.195 1.00 15.12 C ATOM 1481 CG PHE A 129 -1.944 -0.047 -6.194 1.00 4.53 C ATOM 1482 CD1 PHE A 129 -1.696 1.267 -5.821 1.00 33.41 C ATOM 1483 CD2 PHE A 129 -1.723 -0.416 -7.514 1.00 23.33 C ATOM 1484 CE1 PHE A 129 -1.241 2.189 -6.744 1.00 13.31 C ATOM 1485 CE2 PHE A 129 -1.271 0.499 -8.437 1.00 42.41 C ATOM 1486 CZ PHE A 129 -1.030 1.805 -8.055 1.00 64.14 C ATOM 0 H PHE A 129 -4.921 -0.238 -6.741 1.00 71.31 H new ATOM 0 HA PHE A 129 -4.276 -2.016 -4.549 1.00 44.14 H new ATOM 0 HB2 PHE A 129 -2.022 -0.833 -4.217 1.00 15.12 H new ATOM 0 HB3 PHE A 129 -2.086 -2.047 -5.480 1.00 15.12 H new ATOM 0 HD1 PHE A 129 -1.861 1.572 -4.798 1.00 33.41 H new ATOM 0 HD2 PHE A 129 -1.908 -1.435 -7.821 1.00 23.33 H new ATOM 0 HE1 PHE A 129 -1.050 3.208 -6.442 1.00 13.31 H new ATOM 0 HE2 PHE A 129 -1.105 0.196 -9.460 1.00 42.41 H new ATOM 0 HZ PHE A 129 -0.677 2.524 -8.779 1.00 64.14 H new ATOM 1496 N VAL A 130 -4.489 -0.085 -2.924 1.00 12.32 N ATOM 1497 CA VAL A 130 -4.864 0.991 -2.002 1.00 51.35 C ATOM 1498 C VAL A 130 -3.608 1.636 -1.389 1.00 64.32 C ATOM 1499 O VAL A 130 -2.674 0.938 -0.991 1.00 41.22 O ATOM 1500 CB VAL A 130 -5.793 0.471 -0.872 1.00 35.12 C ATOM 1501 CG1 VAL A 130 -5.112 -0.621 -0.050 1.00 75.14 C ATOM 1502 CG2 VAL A 130 -6.261 1.620 0.020 1.00 4.45 C ATOM 0 H VAL A 130 -4.233 -0.959 -2.464 1.00 12.32 H new ATOM 0 HA VAL A 130 -5.410 1.740 -2.575 1.00 51.35 H new ATOM 0 HB VAL A 130 -6.672 0.028 -1.341 1.00 35.12 H new ATOM 0 HG11 VAL A 130 -5.789 -0.963 0.732 1.00 75.14 H new ATOM 0 HG12 VAL A 130 -4.855 -1.458 -0.699 1.00 75.14 H new ATOM 0 HG13 VAL A 130 -4.205 -0.222 0.404 1.00 75.14 H new ATOM 0 HG21 VAL A 130 -6.910 1.231 0.804 1.00 4.45 H new ATOM 0 HG22 VAL A 130 -5.396 2.105 0.473 1.00 4.45 H new ATOM 0 HG23 VAL A 130 -6.811 2.345 -0.580 1.00 4.45 H new ATOM 1512 N HIS A 131 -3.577 2.964 -1.323 1.00 31.45 N ATOM 1513 CA HIS A 131 -2.393 3.674 -0.827 1.00 3.42 C ATOM 1514 C HIS A 131 -2.753 5.055 -0.263 1.00 42.14 C ATOM 1515 O HIS A 131 -3.894 5.507 -0.370 1.00 11.34 O ATOM 1516 CB HIS A 131 -1.371 3.838 -1.961 1.00 52.33 C ATOM 1517 CG HIS A 131 -1.822 4.774 -3.041 1.00 24.23 C ATOM 1518 ND1 HIS A 131 -1.248 6.012 -3.200 1.00 64.11 N ATOM 1519 CD2 HIS A 131 -2.786 4.615 -3.980 1.00 73.41 C ATOM 1520 CE1 HIS A 131 -1.869 6.575 -4.219 1.00 75.31 C ATOM 1521 NE2 HIS A 131 -2.808 5.767 -4.722 1.00 73.13 N ATOM 0 H HIS A 131 -4.349 3.569 -1.603 1.00 31.45 H new ATOM 0 HA HIS A 131 -1.965 3.079 -0.020 1.00 3.42 H new ATOM 0 HB2 HIS A 131 -0.432 4.203 -1.544 1.00 52.33 H new ATOM 0 HB3 HIS A 131 -1.167 2.861 -2.400 1.00 52.33 H new ATOM 0 HD2 HIS A 131 -3.415 3.748 -4.117 1.00 73.41 H new ATOM 0 HE1 HIS A 131 -1.647 7.562 -4.598 1.00 75.31 H new ATOM 0 HE2 HIS A 131 -3.424 5.970 -5.509 1.00 73.13 H new ATOM 1529 N ALA A 132 -1.766 5.716 0.335 1.00 54.24 N ATOM 1530 CA ALA A 132 -1.933 7.081 0.831 1.00 63.44 C ATOM 1531 C ALA A 132 -1.296 8.095 -0.130 1.00 12.14 C ATOM 1532 O ALA A 132 -0.086 8.321 -0.104 1.00 54.02 O ATOM 1533 CB ALA A 132 -1.336 7.214 2.229 1.00 45.43 C ATOM 0 H ALA A 132 -0.836 5.326 0.489 1.00 54.24 H new ATOM 0 HA ALA A 132 -3.000 7.297 0.888 1.00 63.44 H new ATOM 0 HB1 ALA A 132 -1.468 8.236 2.585 1.00 45.43 H new ATOM 0 HB2 ALA A 132 -1.840 6.525 2.907 1.00 45.43 H new ATOM 0 HB3 ALA A 132 -0.273 6.976 2.195 1.00 45.43 H new ATOM 1539 N SER A 133 -2.119 8.674 -0.997 1.00 11.42 N ATOM 1540 CA SER A 133 -1.663 9.693 -1.953 1.00 4.22 C ATOM 1541 C SER A 133 -1.271 10.997 -1.252 1.00 51.12 C ATOM 1542 O SER A 133 -1.991 11.487 -0.385 1.00 63.21 O ATOM 1543 CB SER A 133 -2.762 9.992 -2.982 1.00 44.42 C ATOM 1544 OG SER A 133 -2.466 11.169 -3.727 1.00 54.42 O ATOM 0 H SER A 133 -3.114 8.457 -1.062 1.00 11.42 H new ATOM 0 HA SER A 133 -0.783 9.290 -2.453 1.00 4.22 H new ATOM 0 HB2 SER A 133 -2.867 9.146 -3.661 1.00 44.42 H new ATOM 0 HB3 SER A 133 -3.718 10.112 -2.472 1.00 44.42 H new ATOM 0 HG SER A 133 -1.511 11.185 -3.949 1.00 54.42 H new ATOM 1550 N THR A 134 -0.138 11.571 -1.652 1.00 33.10 N ATOM 1551 CA THR A 134 0.321 12.849 -1.093 1.00 23.42 C ATOM 1552 C THR A 134 -0.636 13.998 -1.450 1.00 75.12 C ATOM 1553 O THR A 134 -0.646 15.038 -0.790 1.00 11.11 O ATOM 1554 CB THR A 134 1.739 13.215 -1.592 1.00 75.13 C ATOM 1555 OG1 THR A 134 1.732 13.392 -3.017 1.00 64.04 O ATOM 1556 CG2 THR A 134 2.748 12.133 -1.218 1.00 74.20 C ATOM 0 H THR A 134 0.481 11.175 -2.360 1.00 33.10 H new ATOM 0 HA THR A 134 0.342 12.718 -0.011 1.00 23.42 H new ATOM 0 HB THR A 134 2.034 14.147 -1.110 1.00 75.13 H new ATOM 0 HG1 THR A 134 2.634 13.625 -3.322 1.00 64.04 H new ATOM 0 HG21 THR A 134 3.736 12.416 -1.581 1.00 74.20 H new ATOM 0 HG22 THR A 134 2.778 12.022 -0.134 1.00 74.20 H new ATOM 0 HG23 THR A 134 2.452 11.187 -1.672 1.00 74.20 H new ATOM 1564 N SER A 135 -1.436 13.800 -2.500 1.00 12.35 N ATOM 1565 CA SER A 135 -2.387 14.822 -2.964 1.00 53.13 C ATOM 1566 C SER A 135 -3.802 14.579 -2.417 1.00 0.23 C ATOM 1567 O SER A 135 -4.416 15.475 -1.844 1.00 33.43 O ATOM 1568 CB SER A 135 -2.438 14.857 -4.500 1.00 13.44 C ATOM 1569 OG SER A 135 -1.165 15.148 -5.060 1.00 55.43 O ATOM 0 H SER A 135 -1.447 12.940 -3.049 1.00 12.35 H new ATOM 0 HA SER A 135 -2.032 15.780 -2.586 1.00 53.13 H new ATOM 0 HB2 SER A 135 -2.790 13.896 -4.875 1.00 13.44 H new ATOM 0 HB3 SER A 135 -3.159 15.608 -4.823 1.00 13.44 H new ATOM 0 HG SER A 135 -1.233 15.161 -6.038 1.00 55.43 H new ATOM 1575 N SER A 136 -4.319 13.363 -2.607 1.00 41.52 N ATOM 1576 CA SER A 136 -5.720 13.050 -2.259 1.00 14.11 C ATOM 1577 C SER A 136 -5.855 12.289 -0.931 1.00 22.22 C ATOM 1578 O SER A 136 -6.943 12.231 -0.355 1.00 45.15 O ATOM 1579 CB SER A 136 -6.370 12.226 -3.380 1.00 62.32 C ATOM 1580 OG SER A 136 -6.331 12.919 -4.620 1.00 52.14 O ATOM 0 H SER A 136 -3.797 12.578 -2.997 1.00 41.52 H new ATOM 0 HA SER A 136 -6.230 14.006 -2.141 1.00 14.11 H new ATOM 0 HB2 SER A 136 -5.854 11.271 -3.478 1.00 62.32 H new ATOM 0 HB3 SER A 136 -7.404 12.004 -3.118 1.00 62.32 H new ATOM 0 HG SER A 136 -6.750 12.370 -5.315 1.00 52.14 H new ATOM 1586 N GLY A 137 -4.760 11.718 -0.440 1.00 65.20 N ATOM 1587 CA GLY A 137 -4.819 10.901 0.772 1.00 4.11 C ATOM 1588 C GLY A 137 -5.110 9.430 0.483 1.00 71.03 C ATOM 1589 O GLY A 137 -4.809 8.937 -0.607 1.00 72.43 O ATOM 0 H GLY A 137 -3.832 11.802 -0.854 1.00 65.20 H new ATOM 0 HA2 GLY A 137 -3.871 10.981 1.305 1.00 4.11 H new ATOM 0 HA3 GLY A 137 -5.590 11.296 1.433 1.00 4.11 H new ATOM 1593 N VAL A 138 -5.692 8.726 1.454 1.00 22.34 N ATOM 1594 CA VAL A 138 -5.990 7.296 1.301 1.00 60.12 C ATOM 1595 C VAL A 138 -7.025 7.038 0.190 1.00 42.13 C ATOM 1596 O VAL A 138 -8.225 7.274 0.370 1.00 33.00 O ATOM 1597 CB VAL A 138 -6.505 6.683 2.627 1.00 52.14 C ATOM 1598 CG1 VAL A 138 -6.827 5.198 2.453 1.00 25.42 C ATOM 1599 CG2 VAL A 138 -5.489 6.892 3.751 1.00 52.21 C ATOM 0 H VAL A 138 -5.967 9.119 2.354 1.00 22.34 H new ATOM 0 HA VAL A 138 -5.052 6.816 1.022 1.00 60.12 H new ATOM 0 HB VAL A 138 -7.426 7.197 2.902 1.00 52.14 H new ATOM 0 HG11 VAL A 138 -7.187 4.791 3.398 1.00 25.42 H new ATOM 0 HG12 VAL A 138 -7.597 5.080 1.690 1.00 25.42 H new ATOM 0 HG13 VAL A 138 -5.927 4.664 2.147 1.00 25.42 H new ATOM 0 HG21 VAL A 138 -5.871 6.454 4.673 1.00 52.21 H new ATOM 0 HG22 VAL A 138 -4.547 6.412 3.484 1.00 52.21 H new ATOM 0 HG23 VAL A 138 -5.323 7.959 3.898 1.00 52.21 H new ATOM 1609 N ILE A 139 -6.549 6.551 -0.959 1.00 42.24 N ATOM 1610 CA ILE A 139 -7.411 6.273 -2.118 1.00 52.10 C ATOM 1611 C ILE A 139 -6.995 4.975 -2.840 1.00 2.42 C ATOM 1612 O ILE A 139 -6.031 4.312 -2.453 1.00 42.22 O ATOM 1613 CB ILE A 139 -7.376 7.437 -3.150 1.00 32.15 C ATOM 1614 CG1 ILE A 139 -5.944 7.643 -3.683 1.00 43.15 C ATOM 1615 CG2 ILE A 139 -7.922 8.728 -2.536 1.00 62.14 C ATOM 1616 CD1 ILE A 139 -5.838 8.687 -4.776 1.00 43.03 C ATOM 0 H ILE A 139 -5.564 6.339 -1.115 1.00 42.24 H new ATOM 0 HA ILE A 139 -8.421 6.163 -1.723 1.00 52.10 H new ATOM 0 HB ILE A 139 -8.018 7.169 -3.989 1.00 32.15 H new ATOM 0 HG12 ILE A 139 -5.297 7.932 -2.855 1.00 43.15 H new ATOM 0 HG13 ILE A 139 -5.569 6.693 -4.064 1.00 43.15 H new ATOM 0 HG21 ILE A 139 -7.887 9.527 -3.277 1.00 62.14 H new ATOM 0 HG22 ILE A 139 -8.953 8.572 -2.219 1.00 62.14 H new ATOM 0 HG23 ILE A 139 -7.315 9.006 -1.674 1.00 62.14 H new ATOM 0 HD11 ILE A 139 -4.800 8.773 -5.098 1.00 43.03 H new ATOM 0 HD12 ILE A 139 -6.457 8.391 -5.623 1.00 43.03 H new ATOM 0 HD13 ILE A 139 -6.181 9.649 -4.395 1.00 43.03 H new ATOM 1628 N ILE A 140 -7.740 4.620 -3.890 1.00 65.10 N ATOM 1629 CA ILE A 140 -7.388 3.484 -4.752 1.00 75.42 C ATOM 1630 C ILE A 140 -6.730 3.978 -6.050 1.00 63.45 C ATOM 1631 O ILE A 140 -7.114 5.012 -6.604 1.00 1.03 O ATOM 1632 CB ILE A 140 -8.639 2.633 -5.114 1.00 21.25 C ATOM 1633 CG1 ILE A 140 -9.313 2.084 -3.845 1.00 20.20 C ATOM 1634 CG2 ILE A 140 -8.264 1.488 -6.064 1.00 1.23 C ATOM 1635 CD1 ILE A 140 -8.504 1.026 -3.125 1.00 73.01 C ATOM 0 H ILE A 140 -8.594 5.104 -4.166 1.00 65.10 H new ATOM 0 HA ILE A 140 -6.688 2.861 -4.195 1.00 75.42 H new ATOM 0 HB ILE A 140 -9.351 3.281 -5.625 1.00 21.25 H new ATOM 0 HG12 ILE A 140 -9.502 2.911 -3.160 1.00 20.20 H new ATOM 0 HG13 ILE A 140 -10.283 1.665 -4.114 1.00 20.20 H new ATOM 0 HG21 ILE A 140 -9.155 0.907 -6.303 1.00 1.23 H new ATOM 0 HG22 ILE A 140 -7.842 1.899 -6.981 1.00 1.23 H new ATOM 0 HG23 ILE A 140 -7.528 0.843 -5.584 1.00 1.23 H new ATOM 0 HD11 ILE A 140 -9.048 0.691 -2.242 1.00 73.01 H new ATOM 0 HD12 ILE A 140 -8.337 0.180 -3.791 1.00 73.01 H new ATOM 0 HD13 ILE A 140 -7.544 1.445 -2.823 1.00 73.01 H new ATOM 1647 N SER A 141 -5.727 3.250 -6.524 1.00 51.33 N ATOM 1648 CA SER A 141 -5.083 3.555 -7.809 1.00 15.25 C ATOM 1649 C SER A 141 -4.670 2.267 -8.521 1.00 35.04 C ATOM 1650 O SER A 141 -4.625 1.200 -7.914 1.00 75.53 O ATOM 1651 CB SER A 141 -3.867 4.469 -7.615 1.00 40.34 C ATOM 1652 OG SER A 141 -4.252 5.742 -7.115 1.00 71.00 O ATOM 0 H SER A 141 -5.336 2.441 -6.041 1.00 51.33 H new ATOM 0 HA SER A 141 -5.808 4.082 -8.430 1.00 15.25 H new ATOM 0 HB2 SER A 141 -3.165 4.002 -6.924 1.00 40.34 H new ATOM 0 HB3 SER A 141 -3.346 4.591 -8.565 1.00 40.34 H new ATOM 0 HG SER A 141 -3.775 6.444 -7.605 1.00 71.00 H new ATOM 1658 N SER A 142 -4.353 2.369 -9.809 1.00 14.42 N ATOM 1659 CA SER A 142 -4.071 1.176 -10.618 1.00 51.23 C ATOM 1660 C SER A 142 -2.878 1.387 -11.553 1.00 42.21 C ATOM 1661 O SER A 142 -2.706 2.469 -12.109 1.00 64.31 O ATOM 1662 CB SER A 142 -5.302 0.811 -11.461 1.00 24.31 C ATOM 1663 OG SER A 142 -6.467 0.718 -10.662 1.00 73.42 O ATOM 0 H SER A 142 -4.284 3.252 -10.315 1.00 14.42 H new ATOM 0 HA SER A 142 -3.829 0.368 -9.928 1.00 51.23 H new ATOM 0 HB2 SER A 142 -5.450 1.563 -12.236 1.00 24.31 H new ATOM 0 HB3 SER A 142 -5.129 -0.139 -11.967 1.00 24.31 H new ATOM 0 HG SER A 142 -7.255 0.645 -11.240 1.00 73.42 H new ATOM 1669 N MET A 143 -2.062 0.348 -11.745 1.00 2.14 N ATOM 1670 CA MET A 143 -1.005 0.388 -12.765 1.00 0.10 C ATOM 1671 C MET A 143 -1.609 0.287 -14.175 1.00 10.33 C ATOM 1672 O MET A 143 -0.902 0.338 -15.179 1.00 61.22 O ATOM 1673 CB MET A 143 0.030 -0.723 -12.538 1.00 14.21 C ATOM 1674 CG MET A 143 0.836 -0.550 -11.259 1.00 53.15 C ATOM 1675 SD MET A 143 2.233 -1.685 -11.147 1.00 43.41 S ATOM 1676 CE MET A 143 1.403 -3.266 -11.085 1.00 62.42 C ATOM 0 H MET A 143 -2.109 -0.523 -11.216 1.00 2.14 H new ATOM 0 HA MET A 143 -0.491 1.345 -12.677 1.00 0.10 H new ATOM 0 HB2 MET A 143 -0.482 -1.685 -12.508 1.00 14.21 H new ATOM 0 HB3 MET A 143 0.713 -0.752 -13.387 1.00 14.21 H new ATOM 0 HG2 MET A 143 1.202 0.475 -11.203 1.00 53.15 H new ATOM 0 HG3 MET A 143 0.182 -0.702 -10.401 1.00 53.15 H new ATOM 0 HE1 MET A 143 2.123 -4.046 -10.837 1.00 62.42 H new ATOM 0 HE2 MET A 143 0.623 -3.238 -10.324 1.00 62.42 H new ATOM 0 HE3 MET A 143 0.956 -3.480 -12.056 1.00 62.42 H new ATOM 1686 N ASN A 144 -2.930 0.120 -14.231 1.00 13.34 N ATOM 1687 CA ASN A 144 -3.679 0.249 -15.484 1.00 52.25 C ATOM 1688 C ASN A 144 -3.792 1.731 -15.882 1.00 3.01 C ATOM 1689 O ASN A 144 -4.118 2.063 -17.024 1.00 45.01 O ATOM 1690 CB ASN A 144 -5.082 -0.357 -15.326 1.00 52.51 C ATOM 1691 CG ASN A 144 -5.039 -1.812 -14.901 1.00 61.54 C ATOM 1692 OD1 ASN A 144 -4.140 -2.553 -15.272 1.00 75.35 O ATOM 1693 ND2 ASN A 144 -6.001 -2.231 -14.104 1.00 2.23 N ATOM 0 H ASN A 144 -3.507 -0.106 -13.421 1.00 13.34 H new ATOM 0 HA ASN A 144 -3.146 -0.290 -16.268 1.00 52.25 H new ATOM 0 HB2 ASN A 144 -5.642 0.218 -14.588 1.00 52.51 H new ATOM 0 HB3 ASN A 144 -5.620 -0.273 -16.271 1.00 52.51 H new ATOM 0 HD21 ASN A 144 -6.009 -3.198 -13.779 1.00 2.23 H new ATOM 0 HD22 ASN A 144 -6.737 -1.588 -13.812 1.00 2.23 H new ATOM 1700 N GLU A 145 -3.525 2.614 -14.916 1.00 33.23 N ATOM 1701 CA GLU A 145 -3.528 4.062 -15.145 1.00 42.33 C ATOM 1702 C GLU A 145 -2.156 4.523 -15.671 1.00 13.52 C ATOM 1703 O GLU A 145 -1.119 4.123 -15.137 1.00 23.20 O ATOM 1704 CB GLU A 145 -3.869 4.804 -13.844 1.00 3.41 C ATOM 1705 CG GLU A 145 -5.152 4.322 -13.166 1.00 10.14 C ATOM 1706 CD GLU A 145 -6.385 4.455 -14.048 1.00 30.30 C ATOM 1707 OE1 GLU A 145 -6.906 5.581 -14.182 1.00 52.32 O ATOM 1708 OE2 GLU A 145 -6.835 3.433 -14.617 1.00 64.41 O ATOM 0 H GLU A 145 -3.302 2.347 -13.957 1.00 33.23 H new ATOM 0 HA GLU A 145 -4.286 4.294 -15.893 1.00 42.33 H new ATOM 0 HB2 GLU A 145 -3.039 4.692 -13.147 1.00 3.41 H new ATOM 0 HB3 GLU A 145 -3.963 5.868 -14.060 1.00 3.41 H new ATOM 0 HG2 GLU A 145 -5.032 3.278 -12.877 1.00 10.14 H new ATOM 0 HG3 GLU A 145 -5.306 4.891 -12.249 1.00 10.14 H new ATOM 1715 N PRO A 146 -2.131 5.381 -16.712 1.00 23.25 N ATOM 1716 CA PRO A 146 -0.885 5.785 -17.398 1.00 55.13 C ATOM 1717 C PRO A 146 0.243 6.233 -16.451 1.00 14.02 C ATOM 1718 O PRO A 146 1.396 5.824 -16.618 1.00 53.43 O ATOM 1719 CB PRO A 146 -1.329 6.946 -18.317 1.00 13.44 C ATOM 1720 CG PRO A 146 -2.721 7.292 -17.889 1.00 31.10 C ATOM 1721 CD PRO A 146 -3.306 6.036 -17.306 1.00 0.14 C ATOM 0 HA PRO A 146 -0.449 4.940 -17.931 1.00 55.13 H new ATOM 0 HB2 PRO A 146 -0.663 7.803 -18.214 1.00 13.44 H new ATOM 0 HB3 PRO A 146 -1.305 6.647 -19.365 1.00 13.44 H new ATOM 0 HG2 PRO A 146 -2.713 8.096 -17.153 1.00 31.10 H new ATOM 0 HG3 PRO A 146 -3.313 7.641 -18.735 1.00 31.10 H new ATOM 0 HD2 PRO A 146 -4.070 6.253 -16.559 1.00 0.14 H new ATOM 0 HD3 PRO A 146 -3.774 5.414 -18.069 1.00 0.14 H new ATOM 1729 N TYR A 147 -0.076 7.058 -15.451 1.00 41.32 N ATOM 1730 CA TYR A 147 0.953 7.579 -14.544 1.00 14.34 C ATOM 1731 C TYR A 147 1.608 6.457 -13.720 1.00 61.35 C ATOM 1732 O TYR A 147 2.827 6.408 -13.585 1.00 73.43 O ATOM 1733 CB TYR A 147 0.380 8.650 -13.607 1.00 15.31 C ATOM 1734 CG TYR A 147 1.439 9.314 -12.740 1.00 14.34 C ATOM 1735 CD1 TYR A 147 2.469 10.048 -13.323 1.00 10.11 C ATOM 1736 CD2 TYR A 147 1.425 9.199 -11.351 1.00 63.31 C ATOM 1737 CE1 TYR A 147 3.446 10.648 -12.552 1.00 51.14 C ATOM 1738 CE2 TYR A 147 2.399 9.798 -10.574 1.00 3.35 C ATOM 1739 CZ TYR A 147 3.407 10.522 -11.181 1.00 62.10 C ATOM 1740 OH TYR A 147 4.386 11.120 -10.412 1.00 4.00 O ATOM 0 H TYR A 147 -1.024 7.377 -15.249 1.00 41.32 H new ATOM 0 HA TYR A 147 1.721 8.036 -15.169 1.00 14.34 H new ATOM 0 HB2 TYR A 147 -0.124 9.412 -14.201 1.00 15.31 H new ATOM 0 HB3 TYR A 147 -0.374 8.196 -12.965 1.00 15.31 H new ATOM 0 HD1 TYR A 147 2.505 10.150 -14.398 1.00 10.11 H new ATOM 0 HD2 TYR A 147 0.640 8.632 -10.873 1.00 63.31 H new ATOM 0 HE1 TYR A 147 4.237 11.213 -13.022 1.00 51.14 H new ATOM 0 HE2 TYR A 147 2.372 9.701 -9.499 1.00 3.35 H new ATOM 0 HH TYR A 147 4.215 10.938 -9.464 1.00 4.00 H new ATOM 1750 N TRP A 148 0.797 5.546 -13.193 1.00 20.32 N ATOM 1751 CA TRP A 148 1.307 4.471 -12.325 1.00 12.34 C ATOM 1752 C TRP A 148 1.977 3.358 -13.146 1.00 52.53 C ATOM 1753 O TRP A 148 2.949 2.740 -12.709 1.00 61.10 O ATOM 1754 CB TRP A 148 0.168 3.886 -11.475 1.00 24.43 C ATOM 1755 CG TRP A 148 -0.473 4.890 -10.560 1.00 33.40 C ATOM 1756 CD1 TRP A 148 -1.699 5.477 -10.707 1.00 25.23 C ATOM 1757 CD2 TRP A 148 0.087 5.425 -9.356 1.00 35.21 C ATOM 1758 NE1 TRP A 148 -1.934 6.341 -9.663 1.00 54.53 N ATOM 1759 CE2 TRP A 148 -0.853 6.329 -8.824 1.00 64.11 C ATOM 1760 CE3 TRP A 148 1.292 5.232 -8.676 1.00 62.12 C ATOM 1761 CZ2 TRP A 148 -0.623 7.033 -7.645 1.00 12.21 C ATOM 1762 CZ3 TRP A 148 1.517 5.929 -7.504 1.00 60.52 C ATOM 1763 CH2 TRP A 148 0.564 6.820 -6.999 1.00 24.12 C ATOM 0 H TRP A 148 -0.211 5.523 -13.346 1.00 20.32 H new ATOM 0 HA TRP A 148 2.059 4.904 -11.666 1.00 12.34 H new ATOM 0 HB2 TRP A 148 -0.593 3.472 -12.137 1.00 24.43 H new ATOM 0 HB3 TRP A 148 0.557 3.060 -10.880 1.00 24.43 H new ATOM 0 HD1 TRP A 148 -2.382 5.290 -11.522 1.00 25.23 H new ATOM 0 HE1 TRP A 148 -2.777 6.900 -9.535 1.00 54.53 H new ATOM 0 HE3 TRP A 148 2.036 4.549 -9.060 1.00 62.12 H new ATOM 0 HZ2 TRP A 148 -1.356 7.723 -7.254 1.00 12.21 H new ATOM 0 HZ3 TRP A 148 2.444 5.783 -6.969 1.00 60.52 H new ATOM 0 HH2 TRP A 148 0.769 7.350 -6.081 1.00 24.12 H new ATOM 1774 N LYS A 149 1.458 3.137 -14.348 1.00 52.53 N ATOM 1775 CA LYS A 149 1.938 2.097 -15.251 1.00 32.43 C ATOM 1776 C LYS A 149 3.444 2.233 -15.549 1.00 14.23 C ATOM 1777 O LYS A 149 4.203 1.266 -15.450 1.00 61.04 O ATOM 1778 CB LYS A 149 1.125 2.199 -16.542 1.00 30.12 C ATOM 1779 CG LYS A 149 1.616 1.323 -17.679 1.00 2.41 C ATOM 1780 CD LYS A 149 0.852 1.628 -18.962 1.00 65.34 C ATOM 1781 CE LYS A 149 1.645 1.222 -20.189 1.00 13.10 C ATOM 1782 NZ LYS A 149 1.885 -0.246 -20.250 1.00 63.33 N ATOM 0 H LYS A 149 0.683 3.681 -14.728 1.00 52.53 H new ATOM 0 HA LYS A 149 1.807 1.122 -14.781 1.00 32.43 H new ATOM 0 HB2 LYS A 149 0.090 1.938 -16.323 1.00 30.12 H new ATOM 0 HB3 LYS A 149 1.129 3.237 -16.875 1.00 30.12 H new ATOM 0 HG2 LYS A 149 2.682 1.487 -17.837 1.00 2.41 H new ATOM 0 HG3 LYS A 149 1.490 0.273 -17.416 1.00 2.41 H new ATOM 0 HD2 LYS A 149 -0.102 1.101 -18.953 1.00 65.34 H new ATOM 0 HD3 LYS A 149 0.627 2.694 -19.009 1.00 65.34 H new ATOM 0 HE2 LYS A 149 1.110 1.537 -21.085 1.00 13.10 H new ATOM 0 HE3 LYS A 149 2.602 1.744 -20.189 1.00 13.10 H new ATOM 0 HZ1 LYS A 149 2.401 -0.477 -21.123 1.00 63.33 H new ATOM 0 HZ2 LYS A 149 2.448 -0.540 -19.427 1.00 63.33 H new ATOM 0 HZ3 LYS A 149 0.974 -0.747 -20.243 1.00 63.33 H new ATOM 1796 N LYS A 150 3.869 3.441 -15.901 1.00 35.24 N ATOM 1797 CA LYS A 150 5.257 3.688 -16.316 1.00 41.04 C ATOM 1798 C LYS A 150 6.205 3.920 -15.125 1.00 63.23 C ATOM 1799 O LYS A 150 7.427 3.878 -15.288 1.00 2.23 O ATOM 1800 CB LYS A 150 5.298 4.894 -17.262 1.00 44.33 C ATOM 1801 CG LYS A 150 4.663 6.152 -16.675 1.00 11.44 C ATOM 1802 CD LYS A 150 4.597 7.285 -17.696 1.00 52.35 C ATOM 1803 CE LYS A 150 3.851 8.501 -17.154 1.00 51.11 C ATOM 1804 NZ LYS A 150 3.683 9.551 -18.189 1.00 61.34 N ATOM 0 H LYS A 150 3.276 4.271 -15.909 1.00 35.24 H new ATOM 0 HA LYS A 150 5.609 2.792 -16.827 1.00 41.04 H new ATOM 0 HB2 LYS A 150 6.335 5.107 -17.521 1.00 44.33 H new ATOM 0 HB3 LYS A 150 4.785 4.636 -18.188 1.00 44.33 H new ATOM 0 HG2 LYS A 150 3.657 5.921 -16.323 1.00 11.44 H new ATOM 0 HG3 LYS A 150 5.237 6.478 -15.808 1.00 11.44 H new ATOM 0 HD2 LYS A 150 5.608 7.577 -17.979 1.00 52.35 H new ATOM 0 HD3 LYS A 150 4.103 6.930 -18.600 1.00 52.35 H new ATOM 0 HE2 LYS A 150 2.872 8.193 -16.787 1.00 51.11 H new ATOM 0 HE3 LYS A 150 4.395 8.912 -16.304 1.00 51.11 H new ATOM 0 HZ1 LYS A 150 3.172 10.360 -17.783 1.00 61.34 H new ATOM 0 HZ2 LYS A 150 4.618 9.863 -18.522 1.00 61.34 H new ATOM 0 HZ3 LYS A 150 3.142 9.166 -18.989 1.00 61.34 H new ATOM 1818 N ARG A 151 5.655 4.156 -13.932 1.00 65.20 N ATOM 1819 CA ARG A 151 6.479 4.486 -12.754 1.00 44.14 C ATOM 1820 C ARG A 151 6.698 3.277 -11.823 1.00 14.52 C ATOM 1821 O ARG A 151 7.416 3.383 -10.823 1.00 21.22 O ATOM 1822 CB ARG A 151 5.846 5.648 -11.969 1.00 3.44 C ATOM 1823 CG ARG A 151 5.598 6.904 -12.808 1.00 3.43 C ATOM 1824 CD ARG A 151 6.862 7.407 -13.506 1.00 54.30 C ATOM 1825 NE ARG A 151 7.907 7.790 -12.560 1.00 44.43 N ATOM 1826 CZ ARG A 151 8.921 8.557 -12.854 1.00 32.12 C ATOM 1827 NH1 ARG A 151 9.058 9.060 -14.041 1.00 72.13 N ATOM 1828 NH2 ARG A 151 9.802 8.826 -11.948 1.00 43.45 N ATOM 0 H ARG A 151 4.652 4.127 -13.751 1.00 65.20 H new ATOM 0 HA ARG A 151 7.458 4.785 -13.127 1.00 44.14 H new ATOM 0 HB2 ARG A 151 4.899 5.314 -11.546 1.00 3.44 H new ATOM 0 HB3 ARG A 151 6.496 5.905 -11.133 1.00 3.44 H new ATOM 0 HG2 ARG A 151 4.835 6.691 -13.557 1.00 3.43 H new ATOM 0 HG3 ARG A 151 5.204 7.692 -12.167 1.00 3.43 H new ATOM 0 HD2 ARG A 151 7.242 6.629 -14.167 1.00 54.30 H new ATOM 0 HD3 ARG A 151 6.611 8.263 -14.132 1.00 54.30 H new ATOM 0 HE ARG A 151 7.840 7.434 -11.606 1.00 44.43 H new ATOM 0 HH11 ARG A 151 8.367 8.858 -14.763 1.00 72.13 H new ATOM 0 HH12 ARG A 151 9.857 9.658 -14.253 1.00 72.13 H new ATOM 0 HH21 ARG A 151 9.703 8.439 -11.009 1.00 43.45 H new ATOM 0 HH22 ARG A 151 10.597 9.425 -12.171 1.00 43.45 H new ATOM 1842 N TYR A 152 6.080 2.136 -12.143 1.00 1.25 N ATOM 1843 CA TYR A 152 6.263 0.901 -11.364 1.00 55.13 C ATOM 1844 C TYR A 152 7.751 0.523 -11.217 1.00 40.21 C ATOM 1845 O TYR A 152 8.464 0.352 -12.212 1.00 60.01 O ATOM 1846 CB TYR A 152 5.486 -0.251 -12.019 1.00 12.31 C ATOM 1847 CG TYR A 152 5.692 -1.603 -11.349 1.00 30.30 C ATOM 1848 CD1 TYR A 152 5.266 -1.829 -10.042 1.00 51.11 C ATOM 1849 CD2 TYR A 152 6.316 -2.651 -12.023 1.00 22.33 C ATOM 1850 CE1 TYR A 152 5.458 -3.053 -9.430 1.00 32.24 C ATOM 1851 CE2 TYR A 152 6.512 -3.877 -11.414 1.00 5.13 C ATOM 1852 CZ TYR A 152 6.079 -4.072 -10.119 1.00 54.20 C ATOM 1853 OH TYR A 152 6.277 -5.290 -9.512 1.00 53.12 O ATOM 0 H TYR A 152 5.447 2.039 -12.937 1.00 1.25 H new ATOM 0 HA TYR A 152 5.873 1.082 -10.362 1.00 55.13 H new ATOM 0 HB2 TYR A 152 4.423 -0.010 -12.007 1.00 12.31 H new ATOM 0 HB3 TYR A 152 5.784 -0.327 -13.065 1.00 12.31 H new ATOM 0 HD1 TYR A 152 4.777 -1.034 -9.498 1.00 51.11 H new ATOM 0 HD2 TYR A 152 6.652 -2.503 -13.039 1.00 22.33 H new ATOM 0 HE1 TYR A 152 5.123 -3.210 -8.416 1.00 32.24 H new ATOM 0 HE2 TYR A 152 7.001 -4.677 -11.949 1.00 5.13 H new ATOM 0 HH TYR A 152 6.727 -5.897 -10.136 1.00 53.12 H new ATOM 1863 N ASN A 153 8.209 0.392 -9.971 1.00 21.31 N ATOM 1864 CA ASN A 153 9.599 0.019 -9.676 1.00 1.30 C ATOM 1865 C ASN A 153 9.720 -1.486 -9.368 1.00 22.31 C ATOM 1866 O ASN A 153 10.335 -2.234 -10.128 1.00 3.32 O ATOM 1867 CB ASN A 153 10.127 0.846 -8.492 1.00 32.42 C ATOM 1868 CG ASN A 153 11.581 0.543 -8.160 1.00 2.04 C ATOM 1869 OD1 ASN A 153 12.495 1.165 -8.681 1.00 72.45 O ATOM 1870 ND2 ASN A 153 11.804 -0.413 -7.287 1.00 12.02 N ATOM 0 H ASN A 153 7.634 0.540 -9.141 1.00 21.31 H new ATOM 0 HA ASN A 153 10.201 0.231 -10.559 1.00 1.30 H new ATOM 0 HB2 ASN A 153 10.025 1.907 -8.722 1.00 32.42 H new ATOM 0 HB3 ASN A 153 9.511 0.650 -7.615 1.00 32.42 H new ATOM 0 HD21 ASN A 153 12.761 -0.654 -7.027 1.00 12.02 H new ATOM 0 HD22 ASN A 153 11.021 -0.915 -6.869 1.00 12.02 H new ATOM 1877 N GLU A 154 9.130 -1.923 -8.250 1.00 1.32 N ATOM 1878 CA GLU A 154 9.176 -3.341 -7.846 1.00 4.42 C ATOM 1879 C GLU A 154 8.123 -3.636 -6.766 1.00 22.23 C ATOM 1880 O GLU A 154 7.836 -2.785 -5.919 1.00 51.12 O ATOM 1881 CB GLU A 154 10.579 -3.715 -7.322 1.00 12.31 C ATOM 1882 CG GLU A 154 10.866 -3.234 -5.899 1.00 53.01 C ATOM 1883 CD GLU A 154 12.332 -3.347 -5.508 1.00 63.22 C ATOM 1884 OE1 GLU A 154 12.738 -4.398 -4.973 1.00 12.02 O ATOM 1885 OE2 GLU A 154 13.083 -2.372 -5.727 1.00 3.34 O ATOM 0 H GLU A 154 8.615 -1.321 -7.608 1.00 1.32 H new ATOM 0 HA GLU A 154 8.955 -3.945 -8.726 1.00 4.42 H new ATOM 0 HB2 GLU A 154 10.690 -4.799 -7.356 1.00 12.31 H new ATOM 0 HB3 GLU A 154 11.329 -3.296 -7.993 1.00 12.31 H new ATOM 0 HG2 GLU A 154 10.551 -2.195 -5.804 1.00 53.01 H new ATOM 0 HG3 GLU A 154 10.265 -3.814 -5.199 1.00 53.01 H new ATOM 1892 N ALA A 155 7.538 -4.829 -6.804 1.00 34.22 N ATOM 1893 CA ALA A 155 6.575 -5.254 -5.779 1.00 41.34 C ATOM 1894 C ALA A 155 7.216 -6.223 -4.778 1.00 62.33 C ATOM 1895 O ALA A 155 8.085 -7.017 -5.138 1.00 24.30 O ATOM 1896 CB ALA A 155 5.356 -5.890 -6.430 1.00 51.22 C ATOM 0 H ALA A 155 7.710 -5.523 -7.531 1.00 34.22 H new ATOM 0 HA ALA A 155 6.258 -4.368 -5.228 1.00 41.34 H new ATOM 0 HB1 ALA A 155 4.651 -6.200 -5.658 1.00 51.22 H new ATOM 0 HB2 ALA A 155 4.877 -5.167 -7.090 1.00 51.22 H new ATOM 0 HB3 ALA A 155 5.665 -6.760 -7.009 1.00 51.22 H new ATOM 1902 N ARG A 156 6.784 -6.158 -3.517 1.00 20.41 N ATOM 1903 CA ARG A 156 7.380 -6.977 -2.451 1.00 14.20 C ATOM 1904 C ARG A 156 6.305 -7.582 -1.534 1.00 3.33 C ATOM 1905 O ARG A 156 5.657 -6.857 -0.779 1.00 45.41 O ATOM 1906 CB ARG A 156 8.332 -6.133 -1.586 1.00 62.41 C ATOM 1907 CG ARG A 156 9.121 -5.078 -2.350 1.00 35.44 C ATOM 1908 CD ARG A 156 10.022 -4.271 -1.419 1.00 32.43 C ATOM 1909 NE ARG A 156 9.371 -3.936 -0.143 1.00 0.10 N ATOM 1910 CZ ARG A 156 8.351 -3.123 -0.004 1.00 43.43 C ATOM 1911 NH1 ARG A 156 7.771 -2.595 -1.036 1.00 34.41 N ATOM 1912 NH2 ARG A 156 7.901 -2.863 1.181 1.00 62.45 N ATOM 0 H ARG A 156 6.026 -5.550 -3.206 1.00 20.41 H new ATOM 0 HA ARG A 156 7.929 -7.781 -2.941 1.00 14.20 H new ATOM 0 HB2 ARG A 156 7.751 -5.639 -0.807 1.00 62.41 H new ATOM 0 HB3 ARG A 156 9.034 -6.800 -1.086 1.00 62.41 H new ATOM 0 HG2 ARG A 156 9.727 -5.560 -3.117 1.00 35.44 H new ATOM 0 HG3 ARG A 156 8.432 -4.407 -2.863 1.00 35.44 H new ATOM 0 HD2 ARG A 156 10.931 -4.838 -1.220 1.00 32.43 H new ATOM 0 HD3 ARG A 156 10.323 -3.351 -1.920 1.00 32.43 H new ATOM 0 HE ARG A 156 9.743 -4.371 0.702 1.00 0.10 H new ATOM 0 HH11 ARG A 156 8.107 -2.810 -1.975 1.00 34.41 H new ATOM 0 HH12 ARG A 156 6.979 -1.965 -0.909 1.00 34.41 H new ATOM 0 HH21 ARG A 156 8.339 -3.289 1.998 1.00 62.45 H new ATOM 0 HH22 ARG A 156 7.108 -2.232 1.298 1.00 62.45 H new ATOM 1926 N ARG A 157 6.121 -8.902 -1.578 1.00 41.15 N ATOM 1927 CA ARG A 157 5.157 -9.558 -0.680 1.00 25.22 C ATOM 1928 C ARG A 157 5.706 -9.647 0.753 1.00 41.15 C ATOM 1929 O ARG A 157 6.807 -10.154 0.982 1.00 22.40 O ATOM 1930 CB ARG A 157 4.733 -10.957 -1.185 1.00 63.02 C ATOM 1931 CG ARG A 157 5.822 -12.035 -1.154 1.00 44.54 C ATOM 1932 CD ARG A 157 6.737 -11.973 -2.373 1.00 63.54 C ATOM 1933 NE ARG A 157 7.709 -13.064 -2.386 1.00 41.13 N ATOM 1934 CZ ARG A 157 7.508 -14.223 -2.954 1.00 40.52 C ATOM 1935 NH1 ARG A 157 6.395 -14.476 -3.565 1.00 25.23 N ATOM 1936 NH2 ARG A 157 8.424 -15.130 -2.917 1.00 53.25 N ATOM 0 H ARG A 157 6.614 -9.532 -2.211 1.00 41.15 H new ATOM 0 HA ARG A 157 4.264 -8.933 -0.675 1.00 25.22 H new ATOM 0 HB2 ARG A 157 3.891 -11.300 -0.583 1.00 63.02 H new ATOM 0 HB3 ARG A 157 4.374 -10.859 -2.209 1.00 63.02 H new ATOM 0 HG2 ARG A 157 6.419 -11.919 -0.249 1.00 44.54 H new ATOM 0 HG3 ARG A 157 5.355 -13.018 -1.104 1.00 44.54 H new ATOM 0 HD2 ARG A 157 6.135 -12.014 -3.280 1.00 63.54 H new ATOM 0 HD3 ARG A 157 7.264 -11.019 -2.383 1.00 63.54 H new ATOM 0 HE ARG A 157 8.604 -12.910 -1.921 1.00 41.13 H new ATOM 0 HH11 ARG A 157 5.663 -13.767 -3.607 1.00 25.23 H new ATOM 0 HH12 ARG A 157 6.250 -15.385 -4.005 1.00 25.23 H new ATOM 0 HH21 ARG A 157 9.308 -14.943 -2.443 1.00 53.25 H new ATOM 0 HH22 ARG A 157 8.265 -16.034 -3.361 1.00 53.25 H new ATOM 1950 N VAL A 158 4.939 -9.123 1.706 1.00 1.13 N ATOM 1951 CA VAL A 158 5.327 -9.133 3.124 1.00 65.10 C ATOM 1952 C VAL A 158 4.570 -10.208 3.924 1.00 42.12 C ATOM 1953 O VAL A 158 4.995 -10.599 5.012 1.00 51.42 O ATOM 1954 CB VAL A 158 5.092 -7.746 3.775 1.00 52.51 C ATOM 1955 CG1 VAL A 158 6.019 -6.699 3.158 1.00 70.35 C ATOM 1956 CG2 VAL A 158 3.628 -7.323 3.643 1.00 74.30 C ATOM 0 H VAL A 158 4.037 -8.682 1.525 1.00 1.13 H new ATOM 0 HA VAL A 158 6.390 -9.371 3.153 1.00 65.10 H new ATOM 0 HB VAL A 158 5.324 -7.824 4.837 1.00 52.51 H new ATOM 0 HG11 VAL A 158 5.839 -5.732 3.628 1.00 70.35 H new ATOM 0 HG12 VAL A 158 7.057 -6.993 3.317 1.00 70.35 H new ATOM 0 HG13 VAL A 158 5.823 -6.625 2.088 1.00 70.35 H new ATOM 0 HG21 VAL A 158 3.488 -6.347 4.107 1.00 74.30 H new ATOM 0 HG22 VAL A 158 3.360 -7.265 2.588 1.00 74.30 H new ATOM 0 HG23 VAL A 158 2.991 -8.055 4.139 1.00 74.30 H new ATOM 1966 N LEU A 159 3.444 -10.675 3.386 1.00 50.21 N ATOM 1967 CA LEU A 159 2.656 -11.732 4.031 1.00 0.24 C ATOM 1968 C LEU A 159 3.280 -13.119 3.814 1.00 31.32 C ATOM 1969 O LEU A 159 3.907 -13.383 2.784 1.00 54.33 O ATOM 1970 CB LEU A 159 1.212 -11.723 3.508 1.00 73.10 C ATOM 1971 CG LEU A 159 0.382 -10.488 3.898 1.00 21.04 C ATOM 1972 CD1 LEU A 159 -1.005 -10.541 3.262 1.00 43.22 C ATOM 1973 CD2 LEU A 159 0.272 -10.374 5.417 1.00 21.21 C ATOM 0 H LEU A 159 3.054 -10.340 2.505 1.00 50.21 H new ATOM 0 HA LEU A 159 2.653 -11.527 5.101 1.00 0.24 H new ATOM 0 HB2 LEU A 159 1.236 -11.796 2.421 1.00 73.10 H new ATOM 0 HB3 LEU A 159 0.703 -12.614 3.877 1.00 73.10 H new ATOM 0 HG LEU A 159 0.894 -9.602 3.521 1.00 21.04 H new ATOM 0 HD11 LEU A 159 -1.573 -9.657 3.553 1.00 43.22 H new ATOM 0 HD12 LEU A 159 -0.907 -10.569 2.177 1.00 43.22 H new ATOM 0 HD13 LEU A 159 -1.527 -11.435 3.602 1.00 43.22 H new ATOM 0 HD21 LEU A 159 -0.319 -9.495 5.674 1.00 21.21 H new ATOM 0 HD22 LEU A 159 -0.213 -11.266 5.815 1.00 21.21 H new ATOM 0 HD23 LEU A 159 1.269 -10.280 5.848 1.00 21.21 H new