USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 661 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 32 ASN : amide:sc= -1.88 K(o=-1.3,f=-6.1!) USER MOD Set 1.2: A 33 THR OG1 : rot 90:sc= 1.24 USER MOD Set 1.3: A 41 THR OG1 : rot -41:sc= -0.659 USER MOD Set 2.1: A 20 ASN : amide:sc= -1.38 K(o=-5.8,f=-11!) USER MOD Set 2.2: A 66 TYR OH : rot -179:sc= 1.29 USER MOD Set 2.3: A 70 MET CE :methyl -146:sc= -5.73 (180deg=-10!) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot -32:sc= 1.19 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0.28) USER MOD Single : A 26 GLN : amide:sc= -3.66! C(o=-3.7!,f=-5.2!) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.548 X(o=-0.55,f=-0.99) USER MOD Single : A 38 SER OG : rot -73:sc= 0.0624 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 178:sc= 0.179 (180deg=0.178) USER MOD Single : A 48 HIS : no HD1:sc= -1.37 K(o=-1.4,f=-2.6) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.355 X(o=-0.36,f=-0.015) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot -97:sc= -0.886 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -172:sc= 0 (180deg=-0.0903) USER MOD Single : A 69 SER OG : rot 82:sc= 0.181 USER MOD Single : A 71 ASN : amide:sc= -0.0212 X(o=-0.021,f=-0.077) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl -165:sc= 0 (180deg=-0.0247) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 THR OG1 : rot 26:sc= -2.94! USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.161 K(o=-0.16,f=-1.2) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -0.118 K(o=-0.12,f=-0.79) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 6 1.436 0.297 0.129 1.00 73.14 N ATOM 2 CA VAL A 6 2.513 0.439 -0.844 1.00 34.21 C ATOM 3 C VAL A 6 2.033 1.171 -2.092 1.00 10.40 C ATOM 4 O VAL A 6 2.717 2.057 -2.605 1.00 31.25 O ATOM 5 CB VAL A 6 3.083 -0.932 -1.254 1.00 11.11 C ATOM 6 CG1 VAL A 6 4.113 -1.407 -0.240 1.00 40.34 C ATOM 7 CG2 VAL A 6 1.963 -1.951 -1.406 1.00 3.44 C ATOM 0 HA VAL A 6 3.299 1.022 -0.364 1.00 34.21 H new ATOM 0 HB VAL A 6 3.580 -0.826 -2.218 1.00 11.11 H new ATOM 0 HG11 VAL A 6 4.505 -2.377 -0.546 1.00 40.34 H new ATOM 0 HG12 VAL A 6 4.929 -0.687 -0.186 1.00 40.34 H new ATOM 0 HG13 VAL A 6 3.644 -1.498 0.740 1.00 40.34 H new ATOM 0 HG21 VAL A 6 2.384 -2.914 -1.696 1.00 3.44 H new ATOM 0 HG22 VAL A 6 1.436 -2.056 -0.458 1.00 3.44 H new ATOM 0 HG23 VAL A 6 1.266 -1.614 -2.173 1.00 3.44 H new ATOM 17 N GLN A 7 0.853 0.796 -2.575 1.00 61.21 N ATOM 18 CA GLN A 7 0.282 1.418 -3.764 1.00 21.31 C ATOM 19 C GLN A 7 -1.242 1.381 -3.719 1.00 0.35 C ATOM 20 O GLN A 7 -1.906 2.372 -4.025 1.00 23.02 O ATOM 21 CB GLN A 7 0.784 0.712 -5.025 1.00 55.11 C ATOM 22 CG GLN A 7 2.297 0.591 -5.093 1.00 43.04 C ATOM 23 CD GLN A 7 2.770 -0.116 -6.348 1.00 42.23 C ATOM 24 OE1 GLN A 7 2.887 0.494 -7.412 1.00 13.03 O ATOM 25 NE2 GLN A 7 3.046 -1.409 -6.231 1.00 61.42 N ATOM 0 H GLN A 7 0.274 0.065 -2.162 1.00 61.21 H new ATOM 0 HA GLN A 7 0.601 2.460 -3.788 1.00 21.31 H new ATOM 0 HB2 GLN A 7 0.346 -0.285 -5.072 1.00 55.11 H new ATOM 0 HB3 GLN A 7 0.432 1.257 -5.901 1.00 55.11 H new ATOM 0 HG2 GLN A 7 2.739 1.586 -5.053 1.00 43.04 H new ATOM 0 HG3 GLN A 7 2.654 0.048 -4.218 1.00 43.04 H new ATOM 0 HE21 GLN A 7 2.935 -1.875 -5.330 1.00 61.42 H new ATOM 0 HE22 GLN A 7 3.369 -1.937 -7.042 1.00 61.42 H new ATOM 34 N ASP A 8 -1.790 0.234 -3.335 1.00 71.41 N ATOM 35 CA ASP A 8 -3.236 0.068 -3.249 1.00 15.20 C ATOM 36 C ASP A 8 -3.674 -0.147 -1.803 1.00 64.14 C ATOM 37 O ASP A 8 -4.777 0.236 -1.413 1.00 44.21 O ATOM 38 CB ASP A 8 -3.689 -1.110 -4.113 1.00 22.34 C ATOM 39 CG ASP A 8 -3.585 -0.815 -5.596 1.00 11.51 C ATOM 40 OD1 ASP A 8 -3.663 0.374 -5.970 1.00 42.12 O ATOM 41 OD2 ASP A 8 -3.427 -1.772 -6.382 1.00 50.25 O ATOM 0 H ASP A 8 -1.255 -0.595 -3.078 1.00 71.41 H new ATOM 0 HA ASP A 8 -3.704 0.980 -3.619 1.00 15.20 H new ATOM 0 HB2 ASP A 8 -3.083 -1.984 -3.876 1.00 22.34 H new ATOM 0 HB3 ASP A 8 -4.721 -1.361 -3.867 1.00 22.34 H new ATOM 46 N LYS A 9 -2.802 -0.764 -1.013 1.00 0.13 N ATOM 47 CA LYS A 9 -3.096 -1.031 0.390 1.00 34.01 C ATOM 48 C LYS A 9 -2.878 0.217 1.239 1.00 11.31 C ATOM 49 O LYS A 9 -3.513 0.391 2.279 1.00 33.24 O ATOM 50 CB LYS A 9 -2.219 -2.173 0.908 1.00 11.13 C ATOM 51 CG LYS A 9 -0.735 -1.848 0.909 1.00 15.33 C ATOM 52 CD LYS A 9 -0.306 -1.205 2.218 1.00 73.14 C ATOM 53 CE LYS A 9 1.087 -1.655 2.629 1.00 61.20 C ATOM 54 NZ LYS A 9 1.788 -0.621 3.439 1.00 15.43 N ATOM 0 H LYS A 9 -1.885 -1.089 -1.321 1.00 0.13 H new ATOM 0 HA LYS A 9 -4.144 -1.322 0.466 1.00 34.01 H new ATOM 0 HB2 LYS A 9 -2.528 -2.426 1.922 1.00 11.13 H new ATOM 0 HB3 LYS A 9 -2.388 -3.057 0.294 1.00 11.13 H new ATOM 0 HG2 LYS A 9 -0.162 -2.760 0.746 1.00 15.33 H new ATOM 0 HG3 LYS A 9 -0.508 -1.176 0.081 1.00 15.33 H new ATOM 0 HD2 LYS A 9 -0.323 -0.120 2.115 1.00 73.14 H new ATOM 0 HD3 LYS A 9 -1.019 -1.462 3.002 1.00 73.14 H new ATOM 0 HE2 LYS A 9 1.015 -2.579 3.203 1.00 61.20 H new ATOM 0 HE3 LYS A 9 1.674 -1.878 1.738 1.00 61.20 H new ATOM 0 HZ1 LYS A 9 2.734 -0.966 3.699 1.00 15.43 H new ATOM 0 HZ2 LYS A 9 1.879 0.253 2.883 1.00 15.43 H new ATOM 0 HZ3 LYS A 9 1.241 -0.426 4.302 1.00 15.43 H new ATOM 68 N ASP A 10 -1.978 1.084 0.788 1.00 20.21 N ATOM 69 CA ASP A 10 -1.678 2.318 1.505 1.00 31.32 C ATOM 70 C ASP A 10 -2.760 3.365 1.260 1.00 2.22 C ATOM 71 O ASP A 10 -2.961 4.268 2.073 1.00 11.12 O ATOM 72 CB ASP A 10 -0.315 2.864 1.076 1.00 34.22 C ATOM 73 CG ASP A 10 -0.030 4.233 1.661 1.00 53.32 C ATOM 74 OD1 ASP A 10 -0.238 4.413 2.879 1.00 62.22 O ATOM 75 OD2 ASP A 10 0.399 5.126 0.900 1.00 64.20 O ATOM 0 H ASP A 10 -1.443 0.955 -0.071 1.00 20.21 H new ATOM 0 HA ASP A 10 -1.651 2.093 2.571 1.00 31.32 H new ATOM 0 HB2 ASP A 10 0.466 2.170 1.387 1.00 34.22 H new ATOM 0 HB3 ASP A 10 -0.276 2.922 -0.012 1.00 34.22 H new ATOM 80 N THR A 11 -3.454 3.240 0.133 1.00 22.43 N ATOM 81 CA THR A 11 -4.513 4.176 -0.220 1.00 51.03 C ATOM 82 C THR A 11 -5.850 3.742 0.369 1.00 32.22 C ATOM 83 O THR A 11 -6.892 4.328 0.070 1.00 23.53 O ATOM 84 CB THR A 11 -4.658 4.310 -1.748 1.00 62.20 C ATOM 85 OG1 THR A 11 -5.711 5.228 -2.062 1.00 21.12 O ATOM 86 CG2 THR A 11 -4.949 2.959 -2.384 1.00 52.24 C ATOM 0 H THR A 11 -3.301 2.499 -0.551 1.00 22.43 H new ATOM 0 HA THR A 11 -4.232 5.143 0.198 1.00 51.03 H new ATOM 0 HB THR A 11 -3.717 4.687 -2.149 1.00 62.20 H new ATOM 0 HG1 THR A 11 -6.404 5.179 -1.371 1.00 21.12 H new ATOM 0 HG21 THR A 11 -5.047 3.078 -3.463 1.00 52.24 H new ATOM 0 HG22 THR A 11 -4.131 2.271 -2.168 1.00 52.24 H new ATOM 0 HG23 THR A 11 -5.877 2.558 -1.977 1.00 52.24 H new ATOM 94 N LEU A 12 -5.815 2.713 1.208 1.00 30.43 N ATOM 95 CA LEU A 12 -7.025 2.200 1.841 1.00 32.23 C ATOM 96 C LEU A 12 -7.622 3.233 2.792 1.00 22.41 C ATOM 97 O LEU A 12 -6.922 4.120 3.279 1.00 42.52 O ATOM 98 CB LEU A 12 -6.719 0.908 2.601 1.00 70.34 C ATOM 99 CG LEU A 12 -6.280 -0.284 1.748 1.00 13.34 C ATOM 100 CD1 LEU A 12 -5.799 -1.424 2.632 1.00 1.23 C ATOM 101 CD2 LEU A 12 -7.419 -0.746 0.852 1.00 74.14 C ATOM 0 H LEU A 12 -4.962 2.217 1.466 1.00 30.43 H new ATOM 0 HA LEU A 12 -7.753 1.990 1.058 1.00 32.23 H new ATOM 0 HB2 LEU A 12 -5.936 1.116 3.330 1.00 70.34 H new ATOM 0 HB3 LEU A 12 -7.608 0.620 3.162 1.00 70.34 H new ATOM 0 HG LEU A 12 -5.451 0.032 1.115 1.00 13.34 H new ATOM 0 HD11 LEU A 12 -5.491 -2.263 2.008 1.00 1.23 H new ATOM 0 HD12 LEU A 12 -4.953 -1.088 3.231 1.00 1.23 H new ATOM 0 HD13 LEU A 12 -6.608 -1.740 3.291 1.00 1.23 H new ATOM 0 HD21 LEU A 12 -7.089 -1.594 0.252 1.00 74.14 H new ATOM 0 HD22 LEU A 12 -8.268 -1.045 1.467 1.00 74.14 H new ATOM 0 HD23 LEU A 12 -7.718 0.070 0.193 1.00 74.14 H new ATOM 113 N SER A 13 -8.919 3.109 3.054 1.00 71.40 N ATOM 114 CA SER A 13 -9.611 4.032 3.946 1.00 44.24 C ATOM 115 C SER A 13 -9.781 3.422 5.334 1.00 54.25 C ATOM 116 O SER A 13 -9.630 2.215 5.516 1.00 72.04 O ATOM 117 CB SER A 13 -10.978 4.405 3.368 1.00 25.31 C ATOM 118 OG SER A 13 -10.842 5.273 2.257 1.00 50.43 O ATOM 0 H SER A 13 -9.512 2.378 2.661 1.00 71.40 H new ATOM 0 HA SER A 13 -9.005 4.934 4.037 1.00 44.24 H new ATOM 0 HB2 SER A 13 -11.507 3.501 3.065 1.00 25.31 H new ATOM 0 HB3 SER A 13 -11.583 4.886 4.137 1.00 25.31 H new ATOM 0 HG SER A 13 -11.729 5.495 1.905 1.00 50.43 H new ATOM 124 N ASN A 14 -10.098 4.267 6.310 1.00 45.14 N ATOM 125 CA ASN A 14 -10.289 3.812 7.682 1.00 4.41 C ATOM 126 C ASN A 14 -11.641 3.125 7.844 1.00 11.22 C ATOM 127 O ASN A 14 -11.836 2.324 8.758 1.00 51.13 O ATOM 128 CB ASN A 14 -10.184 4.992 8.651 1.00 23.43 C ATOM 129 CG ASN A 14 -8.751 5.285 9.052 1.00 21.45 C ATOM 130 OD1 ASN A 14 -7.932 5.683 8.224 1.00 23.52 O ATOM 131 ND2 ASN A 14 -8.442 5.088 10.329 1.00 52.20 N ATOM 0 H ASN A 14 -10.228 5.270 6.176 1.00 45.14 H new ATOM 0 HA ASN A 14 -9.505 3.090 7.912 1.00 4.41 H new ATOM 0 HB2 ASN A 14 -10.617 5.879 8.188 1.00 23.43 H new ATOM 0 HB3 ASN A 14 -10.772 4.779 9.544 1.00 23.43 H new ATOM 0 HD21 ASN A 14 -7.493 5.268 10.658 1.00 52.20 H new ATOM 0 HD22 ASN A 14 -9.153 4.757 10.981 1.00 52.20 H new ATOM 138 N ALA A 15 -12.572 3.444 6.951 1.00 44.25 N ATOM 139 CA ALA A 15 -13.905 2.856 6.992 1.00 24.05 C ATOM 140 C ALA A 15 -13.848 1.351 6.756 1.00 30.41 C ATOM 141 O ALA A 15 -14.480 0.577 7.474 1.00 22.35 O ATOM 142 CB ALA A 15 -14.807 3.520 5.963 1.00 12.24 C ATOM 0 H ALA A 15 -12.427 4.107 6.190 1.00 44.25 H new ATOM 0 HA ALA A 15 -14.320 3.026 7.985 1.00 24.05 H new ATOM 0 HB1 ALA A 15 -15.799 3.071 6.005 1.00 12.24 H new ATOM 0 HB2 ALA A 15 -14.882 4.586 6.179 1.00 12.24 H new ATOM 0 HB3 ALA A 15 -14.387 3.380 4.967 1.00 12.24 H new ATOM 148 N GLU A 16 -13.088 0.943 5.744 1.00 1.14 N ATOM 149 CA GLU A 16 -12.951 -0.470 5.414 1.00 73.54 C ATOM 150 C GLU A 16 -12.491 -1.272 6.628 1.00 0.51 C ATOM 151 O GLU A 16 -12.819 -2.450 6.768 1.00 4.12 O ATOM 152 CB GLU A 16 -11.960 -0.654 4.262 1.00 32.23 C ATOM 153 CG GLU A 16 -12.300 0.166 3.030 1.00 54.44 C ATOM 154 CD GLU A 16 -11.272 0.015 1.926 1.00 62.22 C ATOM 155 OE1 GLU A 16 -11.423 -0.906 1.096 1.00 43.32 O ATOM 156 OE2 GLU A 16 -10.316 0.818 1.892 1.00 22.23 O ATOM 0 H GLU A 16 -12.558 1.571 5.139 1.00 1.14 H new ATOM 0 HA GLU A 16 -13.929 -0.840 5.106 1.00 73.54 H new ATOM 0 HB2 GLU A 16 -10.962 -0.381 4.605 1.00 32.23 H new ATOM 0 HB3 GLU A 16 -11.926 -1.708 3.988 1.00 32.23 H new ATOM 0 HG2 GLU A 16 -13.277 -0.137 2.655 1.00 54.44 H new ATOM 0 HG3 GLU A 16 -12.377 1.217 3.308 1.00 54.44 H new ATOM 163 N ARG A 17 -11.729 -0.623 7.503 1.00 71.20 N ATOM 164 CA ARG A 17 -11.222 -1.275 8.705 1.00 42.44 C ATOM 165 C ARG A 17 -12.369 -1.717 9.608 1.00 22.53 C ATOM 166 O ARG A 17 -12.424 -2.869 10.039 1.00 5.23 O ATOM 167 CB ARG A 17 -10.292 -0.330 9.469 1.00 61.24 C ATOM 168 CG ARG A 17 -9.326 0.429 8.574 1.00 54.53 C ATOM 169 CD ARG A 17 -8.263 1.150 9.387 1.00 3.31 C ATOM 170 NE ARG A 17 -7.090 1.482 8.583 1.00 63.23 N ATOM 171 CZ ARG A 17 -6.095 2.248 9.015 1.00 2.41 C ATOM 172 NH1 ARG A 17 -6.131 2.760 10.238 1.00 63.40 N ATOM 173 NH2 ARG A 17 -5.061 2.505 8.224 1.00 61.31 N ATOM 0 H ARG A 17 -11.449 0.353 7.402 1.00 71.20 H new ATOM 0 HA ARG A 17 -10.661 -2.159 8.400 1.00 42.44 H new ATOM 0 HB2 ARG A 17 -10.895 0.386 10.028 1.00 61.24 H new ATOM 0 HB3 ARG A 17 -9.722 -0.906 10.198 1.00 61.24 H new ATOM 0 HG2 ARG A 17 -8.848 -0.264 7.882 1.00 54.53 H new ATOM 0 HG3 ARG A 17 -9.877 1.151 7.972 1.00 54.53 H new ATOM 0 HD2 ARG A 17 -8.685 2.063 9.807 1.00 3.31 H new ATOM 0 HD3 ARG A 17 -7.962 0.523 10.226 1.00 3.31 H new ATOM 0 HE ARG A 17 -7.032 1.105 7.637 1.00 63.23 H new ATOM 0 HH11 ARG A 17 -6.924 2.566 10.849 1.00 63.40 H new ATOM 0 HH12 ARG A 17 -5.365 3.348 10.567 1.00 63.40 H new ATOM 0 HH21 ARG A 17 -5.030 2.114 7.282 1.00 61.31 H new ATOM 0 HH22 ARG A 17 -4.298 3.094 8.558 1.00 61.31 H new ATOM 187 N ALA A 18 -13.283 -0.795 9.891 1.00 5.22 N ATOM 188 CA ALA A 18 -14.429 -1.090 10.742 1.00 64.30 C ATOM 189 C ALA A 18 -15.323 -2.151 10.109 1.00 11.12 C ATOM 190 O ALA A 18 -15.821 -3.046 10.792 1.00 23.40 O ATOM 191 CB ALA A 18 -15.223 0.178 11.016 1.00 33.02 C ATOM 0 H ALA A 18 -13.252 0.163 9.543 1.00 5.22 H new ATOM 0 HA ALA A 18 -14.057 -1.483 11.688 1.00 64.30 H new ATOM 0 HB1 ALA A 18 -16.076 -0.057 11.653 1.00 33.02 H new ATOM 0 HB2 ALA A 18 -14.585 0.905 11.518 1.00 33.02 H new ATOM 0 HB3 ALA A 18 -15.578 0.596 10.074 1.00 33.02 H new ATOM 197 N LYS A 19 -15.524 -2.044 8.800 1.00 15.02 N ATOM 198 CA LYS A 19 -16.359 -2.994 8.074 1.00 42.11 C ATOM 199 C LYS A 19 -15.723 -4.380 8.064 1.00 22.34 C ATOM 200 O LYS A 19 -16.382 -5.378 8.354 1.00 52.32 O ATOM 201 CB LYS A 19 -16.582 -2.514 6.638 1.00 14.11 C ATOM 202 CG LYS A 19 -17.000 -3.620 5.685 1.00 70.31 C ATOM 203 CD LYS A 19 -18.110 -3.164 4.753 1.00 43.13 C ATOM 204 CE LYS A 19 -17.550 -2.581 3.464 1.00 54.10 C ATOM 205 NZ LYS A 19 -18.202 -3.168 2.261 1.00 61.53 N ATOM 0 H LYS A 19 -15.120 -1.309 8.220 1.00 15.02 H new ATOM 0 HA LYS A 19 -17.321 -3.058 8.583 1.00 42.11 H new ATOM 0 HB2 LYS A 19 -17.347 -1.738 6.638 1.00 14.11 H new ATOM 0 HB3 LYS A 19 -15.664 -2.057 6.270 1.00 14.11 H new ATOM 0 HG2 LYS A 19 -16.139 -3.940 5.098 1.00 70.31 H new ATOM 0 HG3 LYS A 19 -17.336 -4.486 6.256 1.00 70.31 H new ATOM 0 HD2 LYS A 19 -18.760 -4.007 4.520 1.00 43.13 H new ATOM 0 HD3 LYS A 19 -18.724 -2.417 5.255 1.00 43.13 H new ATOM 0 HE2 LYS A 19 -17.691 -1.500 3.463 1.00 54.10 H new ATOM 0 HE3 LYS A 19 -16.476 -2.762 3.420 1.00 54.10 H new ATOM 0 HZ1 LYS A 19 -17.793 -2.745 1.403 1.00 61.53 H new ATOM 0 HZ2 LYS A 19 -18.046 -4.196 2.248 1.00 61.53 H new ATOM 0 HZ3 LYS A 19 -19.223 -2.973 2.290 1.00 61.53 H new ATOM 219 N ASN A 20 -14.437 -4.434 7.731 1.00 33.50 N ATOM 220 CA ASN A 20 -13.712 -5.699 7.685 1.00 33.11 C ATOM 221 C ASN A 20 -13.852 -6.454 9.003 1.00 20.42 C ATOM 222 O ASN A 20 -14.244 -7.621 9.024 1.00 31.22 O ATOM 223 CB ASN A 20 -12.233 -5.452 7.380 1.00 35.20 C ATOM 224 CG ASN A 20 -11.993 -5.108 5.923 1.00 54.42 C ATOM 225 OD1 ASN A 20 -11.296 -4.143 5.608 1.00 25.42 O ATOM 226 ND2 ASN A 20 -12.573 -5.896 5.025 1.00 23.53 N ATOM 0 H ASN A 20 -13.876 -3.617 7.489 1.00 33.50 H new ATOM 0 HA ASN A 20 -14.143 -6.308 6.890 1.00 33.11 H new ATOM 0 HB2 ASN A 20 -11.866 -4.640 8.007 1.00 35.20 H new ATOM 0 HB3 ASN A 20 -11.658 -6.341 7.640 1.00 35.20 H new ATOM 0 HD21 ASN A 20 -12.449 -5.712 4.029 1.00 23.53 H new ATOM 0 HD22 ASN A 20 -13.142 -6.685 5.331 1.00 23.53 H new ATOM 233 N VAL A 21 -13.529 -5.780 10.102 1.00 22.34 N ATOM 234 CA VAL A 21 -13.620 -6.386 11.425 1.00 24.44 C ATOM 235 C VAL A 21 -15.035 -6.877 11.709 1.00 21.11 C ATOM 236 O VAL A 21 -15.228 -7.920 12.332 1.00 3.14 O ATOM 237 CB VAL A 21 -13.201 -5.395 12.527 1.00 15.50 C ATOM 238 CG1 VAL A 21 -13.610 -5.914 13.897 1.00 62.51 C ATOM 239 CG2 VAL A 21 -11.703 -5.137 12.470 1.00 14.44 C ATOM 0 H VAL A 21 -13.202 -4.814 10.102 1.00 22.34 H new ATOM 0 HA VAL A 21 -12.936 -7.235 11.431 1.00 24.44 H new ATOM 0 HB VAL A 21 -13.716 -4.450 12.356 1.00 15.50 H new ATOM 0 HG11 VAL A 21 -13.305 -5.200 14.662 1.00 62.51 H new ATOM 0 HG12 VAL A 21 -14.692 -6.041 13.930 1.00 62.51 H new ATOM 0 HG13 VAL A 21 -13.126 -6.873 14.082 1.00 62.51 H new ATOM 0 HG21 VAL A 21 -11.425 -4.435 13.256 1.00 14.44 H new ATOM 0 HG22 VAL A 21 -11.167 -6.075 12.615 1.00 14.44 H new ATOM 0 HG23 VAL A 21 -11.443 -4.717 11.499 1.00 14.44 H new ATOM 249 N ASN A 22 -16.023 -6.118 11.246 1.00 5.53 N ATOM 250 CA ASN A 22 -17.422 -6.475 11.450 1.00 24.13 C ATOM 251 C ASN A 22 -17.725 -7.847 10.855 1.00 2.14 C ATOM 252 O ASN A 22 -18.345 -8.691 11.500 1.00 31.41 O ATOM 253 CB ASN A 22 -18.336 -5.421 10.822 1.00 22.12 C ATOM 254 CG ASN A 22 -18.996 -4.536 11.861 1.00 15.21 C ATOM 255 OD1 ASN A 22 -18.380 -3.607 12.384 1.00 31.21 O ATOM 256 ND2 ASN A 22 -20.257 -4.820 12.165 1.00 34.52 N ATOM 0 H ASN A 22 -15.880 -5.252 10.727 1.00 5.53 H new ATOM 0 HA ASN A 22 -17.609 -6.514 12.523 1.00 24.13 H new ATOM 0 HB2 ASN A 22 -17.756 -4.802 10.137 1.00 22.12 H new ATOM 0 HB3 ASN A 22 -19.105 -5.917 10.230 1.00 22.12 H new ATOM 0 HD21 ASN A 22 -20.754 -4.259 12.857 1.00 34.52 H new ATOM 0 HD22 ASN A 22 -20.729 -5.600 11.707 1.00 34.52 H new ATOM 263 N GLY A 23 -17.282 -8.062 9.620 1.00 4.33 N ATOM 264 CA GLY A 23 -17.514 -9.332 8.959 1.00 35.31 C ATOM 265 C GLY A 23 -16.770 -10.475 9.620 1.00 24.02 C ATOM 266 O GLY A 23 -17.243 -11.612 9.629 1.00 60.22 O ATOM 0 H GLY A 23 -16.766 -7.379 9.066 1.00 4.33 H new ATOM 0 HA2 GLY A 23 -18.582 -9.549 8.961 1.00 35.31 H new ATOM 0 HA3 GLY A 23 -17.206 -9.257 7.916 1.00 35.31 H new ATOM 270 N LEU A 24 -15.600 -10.175 10.174 1.00 13.33 N ATOM 271 CA LEU A 24 -14.787 -11.186 10.840 1.00 63.31 C ATOM 272 C LEU A 24 -15.340 -11.505 12.225 1.00 2.12 C ATOM 273 O LEU A 24 -15.262 -12.643 12.690 1.00 4.00 O ATOM 274 CB LEU A 24 -13.338 -10.710 10.954 1.00 3.40 C ATOM 275 CG LEU A 24 -12.555 -10.622 9.644 1.00 64.44 C ATOM 276 CD1 LEU A 24 -11.262 -9.847 9.845 1.00 62.02 C ATOM 277 CD2 LEU A 24 -12.265 -12.015 9.102 1.00 42.41 C ATOM 0 H LEU A 24 -15.193 -9.240 10.175 1.00 13.33 H new ATOM 0 HA LEU A 24 -14.818 -12.095 10.239 1.00 63.31 H new ATOM 0 HB2 LEU A 24 -13.336 -9.726 11.422 1.00 3.40 H new ATOM 0 HB3 LEU A 24 -12.807 -11.384 11.627 1.00 3.40 H new ATOM 0 HG LEU A 24 -13.164 -10.089 8.914 1.00 64.44 H new ATOM 0 HD11 LEU A 24 -10.719 -9.795 8.902 1.00 62.02 H new ATOM 0 HD12 LEU A 24 -11.492 -8.838 10.187 1.00 62.02 H new ATOM 0 HD13 LEU A 24 -10.647 -10.352 10.590 1.00 62.02 H new ATOM 0 HD21 LEU A 24 -11.707 -11.934 8.169 1.00 42.41 H new ATOM 0 HD22 LEU A 24 -11.676 -12.573 9.830 1.00 42.41 H new ATOM 0 HD23 LEU A 24 -13.204 -12.537 8.919 1.00 42.41 H new ATOM 289 N LEU A 25 -15.901 -10.494 12.879 1.00 4.14 N ATOM 290 CA LEU A 25 -16.470 -10.666 14.212 1.00 63.35 C ATOM 291 C LEU A 25 -17.711 -11.552 14.163 1.00 25.11 C ATOM 292 O LEU A 25 -17.893 -12.427 15.009 1.00 64.43 O ATOM 293 CB LEU A 25 -16.823 -9.307 14.817 1.00 51.55 C ATOM 294 CG LEU A 25 -16.134 -8.960 16.136 1.00 4.55 C ATOM 295 CD1 LEU A 25 -14.625 -8.898 15.951 1.00 55.53 C ATOM 296 CD2 LEU A 25 -16.660 -7.640 16.683 1.00 72.44 C ATOM 0 H LEU A 25 -15.974 -9.547 12.508 1.00 4.14 H new ATOM 0 HA LEU A 25 -15.723 -11.152 14.839 1.00 63.35 H new ATOM 0 HB2 LEU A 25 -16.580 -8.533 14.089 1.00 51.55 H new ATOM 0 HB3 LEU A 25 -17.901 -9.270 14.973 1.00 51.55 H new ATOM 0 HG LEU A 25 -16.359 -9.745 16.858 1.00 4.55 H new ATOM 0 HD11 LEU A 25 -14.152 -8.650 16.901 1.00 55.53 H new ATOM 0 HD12 LEU A 25 -14.261 -9.866 15.606 1.00 55.53 H new ATOM 0 HD13 LEU A 25 -14.380 -8.134 15.213 1.00 55.53 H new ATOM 0 HD21 LEU A 25 -16.158 -7.410 17.623 1.00 72.44 H new ATOM 0 HD22 LEU A 25 -16.466 -6.845 15.963 1.00 72.44 H new ATOM 0 HD23 LEU A 25 -17.733 -7.719 16.855 1.00 72.44 H new ATOM 308 N GLN A 26 -18.559 -11.319 13.167 1.00 70.21 N ATOM 309 CA GLN A 26 -19.782 -12.097 13.008 1.00 62.41 C ATOM 310 C GLN A 26 -19.468 -13.514 12.537 1.00 12.14 C ATOM 311 O GLN A 26 -20.127 -14.473 12.940 1.00 4.00 O ATOM 312 CB GLN A 26 -20.721 -11.413 12.013 1.00 32.23 C ATOM 313 CG GLN A 26 -20.381 -11.699 10.560 1.00 61.14 C ATOM 314 CD GLN A 26 -21.019 -12.977 10.051 1.00 1.13 C ATOM 315 OE1 GLN A 26 -21.645 -13.717 10.811 1.00 3.11 O ATOM 316 NE2 GLN A 26 -20.864 -13.243 8.760 1.00 61.33 N ATOM 0 H GLN A 26 -18.422 -10.598 12.458 1.00 70.21 H new ATOM 0 HA GLN A 26 -20.274 -12.156 13.979 1.00 62.41 H new ATOM 0 HB2 GLN A 26 -21.743 -11.737 12.209 1.00 32.23 H new ATOM 0 HB3 GLN A 26 -20.691 -10.336 12.179 1.00 32.23 H new ATOM 0 HG2 GLN A 26 -20.709 -10.863 9.943 1.00 61.14 H new ATOM 0 HG3 GLN A 26 -19.299 -11.770 10.451 1.00 61.14 H new ATOM 0 HE21 GLN A 26 -20.337 -12.602 8.167 1.00 61.33 H new ATOM 0 HE22 GLN A 26 -21.271 -14.089 8.361 1.00 61.33 H new ATOM 325 N VAL A 27 -18.458 -13.638 11.682 1.00 73.11 N ATOM 326 CA VAL A 27 -18.057 -14.938 11.157 1.00 43.42 C ATOM 327 C VAL A 27 -17.282 -15.736 12.199 1.00 2.12 C ATOM 328 O VAL A 27 -17.679 -16.840 12.573 1.00 32.21 O ATOM 329 CB VAL A 27 -17.190 -14.788 9.892 1.00 33.51 C ATOM 330 CG1 VAL A 27 -16.423 -16.073 9.616 1.00 52.43 C ATOM 331 CG2 VAL A 27 -18.052 -14.405 8.699 1.00 71.14 C ATOM 0 H VAL A 27 -17.903 -12.855 11.338 1.00 73.11 H new ATOM 0 HA VAL A 27 -18.972 -15.473 10.901 1.00 43.42 H new ATOM 0 HB VAL A 27 -16.467 -13.990 10.060 1.00 33.51 H new ATOM 0 HG11 VAL A 27 -15.816 -15.949 8.719 1.00 52.43 H new ATOM 0 HG12 VAL A 27 -15.776 -16.300 10.463 1.00 52.43 H new ATOM 0 HG13 VAL A 27 -17.127 -16.892 9.467 1.00 52.43 H new ATOM 0 HG21 VAL A 27 -17.424 -14.303 7.814 1.00 71.14 H new ATOM 0 HG22 VAL A 27 -18.799 -15.180 8.526 1.00 71.14 H new ATOM 0 HG23 VAL A 27 -18.552 -13.457 8.900 1.00 71.14 H new ATOM 341 N LEU A 28 -16.174 -15.170 12.666 1.00 60.43 N ATOM 342 CA LEU A 28 -15.342 -15.829 13.667 1.00 61.03 C ATOM 343 C LEU A 28 -16.180 -16.284 14.858 1.00 43.44 C ATOM 344 O LEU A 28 -16.034 -17.407 15.339 1.00 43.30 O ATOM 345 CB LEU A 28 -14.234 -14.886 14.138 1.00 11.45 C ATOM 346 CG LEU A 28 -13.168 -14.530 13.101 1.00 31.43 C ATOM 347 CD1 LEU A 28 -12.409 -13.282 13.522 1.00 3.14 C ATOM 348 CD2 LEU A 28 -12.211 -15.696 12.899 1.00 32.23 C ATOM 0 H LEU A 28 -15.831 -14.257 12.368 1.00 60.43 H new ATOM 0 HA LEU A 28 -14.891 -16.708 13.207 1.00 61.03 H new ATOM 0 HB2 LEU A 28 -14.695 -13.962 14.487 1.00 11.45 H new ATOM 0 HB3 LEU A 28 -13.739 -15.340 14.997 1.00 11.45 H new ATOM 0 HG LEU A 28 -13.665 -14.325 12.153 1.00 31.43 H new ATOM 0 HD11 LEU A 28 -11.655 -13.044 12.772 1.00 3.14 H new ATOM 0 HD12 LEU A 28 -13.104 -12.447 13.615 1.00 3.14 H new ATOM 0 HD13 LEU A 28 -11.923 -13.458 14.482 1.00 3.14 H new ATOM 0 HD21 LEU A 28 -11.459 -15.425 12.158 1.00 32.23 H new ATOM 0 HD22 LEU A 28 -11.721 -15.932 13.844 1.00 32.23 H new ATOM 0 HD23 LEU A 28 -12.767 -16.567 12.551 1.00 32.23 H new ATOM 360 N MET A 29 -17.059 -15.404 15.326 1.00 3.13 N ATOM 361 CA MET A 29 -17.923 -15.717 16.459 1.00 44.32 C ATOM 362 C MET A 29 -18.918 -16.815 16.097 1.00 43.44 C ATOM 363 O MET A 29 -19.311 -17.614 16.947 1.00 51.35 O ATOM 364 CB MET A 29 -18.672 -14.464 16.917 1.00 20.12 C ATOM 365 CG MET A 29 -19.893 -14.143 16.071 1.00 12.30 C ATOM 366 SD MET A 29 -20.780 -12.686 16.657 1.00 74.42 S ATOM 367 CE MET A 29 -22.416 -12.998 15.996 1.00 21.04 C ATOM 0 H MET A 29 -17.192 -14.470 14.939 1.00 3.13 H new ATOM 0 HA MET A 29 -17.295 -16.075 17.275 1.00 44.32 H new ATOM 0 HB2 MET A 29 -18.983 -14.595 17.954 1.00 20.12 H new ATOM 0 HB3 MET A 29 -17.990 -13.614 16.893 1.00 20.12 H new ATOM 0 HG2 MET A 29 -19.583 -13.984 15.038 1.00 12.30 H new ATOM 0 HG3 MET A 29 -20.567 -14.999 16.073 1.00 12.30 H new ATOM 0 HE1 MET A 29 -23.083 -12.182 16.274 1.00 21.04 H new ATOM 0 HE2 MET A 29 -22.362 -13.068 14.910 1.00 21.04 H new ATOM 0 HE3 MET A 29 -22.800 -13.934 16.401 1.00 21.04 H new ATOM 377 N ASP A 30 -19.321 -16.848 14.831 1.00 4.42 N ATOM 378 CA ASP A 30 -20.269 -17.848 14.357 1.00 74.32 C ATOM 379 C ASP A 30 -19.719 -19.257 14.557 1.00 11.02 C ATOM 380 O ASP A 30 -20.396 -20.126 15.108 1.00 1.54 O ATOM 381 CB ASP A 30 -20.590 -17.618 12.879 1.00 20.01 C ATOM 382 CG ASP A 30 -22.038 -17.229 12.655 1.00 41.04 C ATOM 383 OD1 ASP A 30 -22.901 -17.673 13.441 1.00 62.31 O ATOM 384 OD2 ASP A 30 -22.308 -16.480 11.693 1.00 12.53 O ATOM 0 H ASP A 30 -19.005 -16.193 14.115 1.00 4.42 H new ATOM 0 HA ASP A 30 -21.185 -17.749 14.940 1.00 74.32 H new ATOM 0 HB2 ASP A 30 -19.941 -16.835 12.487 1.00 20.01 H new ATOM 0 HB3 ASP A 30 -20.369 -18.525 12.317 1.00 20.01 H new ATOM 389 N ILE A 31 -18.489 -19.476 14.105 1.00 0.13 N ATOM 390 CA ILE A 31 -17.849 -20.779 14.235 1.00 5.22 C ATOM 391 C ILE A 31 -17.350 -21.007 15.658 1.00 3.31 C ATOM 392 O ILE A 31 -17.378 -22.127 16.164 1.00 35.55 O ATOM 393 CB ILE A 31 -16.666 -20.925 13.259 1.00 12.31 C ATOM 394 CG1 ILE A 31 -16.045 -22.318 13.381 1.00 4.54 C ATOM 395 CG2 ILE A 31 -15.624 -19.849 13.525 1.00 52.52 C ATOM 396 CD1 ILE A 31 -14.807 -22.503 12.532 1.00 22.40 C ATOM 0 H ILE A 31 -17.916 -18.768 13.646 1.00 0.13 H new ATOM 0 HA ILE A 31 -18.604 -21.527 13.993 1.00 5.22 H new ATOM 0 HB ILE A 31 -17.036 -20.801 12.241 1.00 12.31 H new ATOM 0 HG12 ILE A 31 -15.791 -22.504 14.425 1.00 4.54 H new ATOM 0 HG13 ILE A 31 -16.787 -23.064 13.095 1.00 4.54 H new ATOM 0 HG21 ILE A 31 -14.794 -19.965 12.828 1.00 52.52 H new ATOM 0 HG22 ILE A 31 -16.075 -18.865 13.392 1.00 52.52 H new ATOM 0 HG23 ILE A 31 -15.255 -19.944 14.546 1.00 52.52 H new ATOM 0 HD11 ILE A 31 -14.420 -23.513 12.668 1.00 22.40 H new ATOM 0 HD12 ILE A 31 -15.059 -22.349 11.483 1.00 22.40 H new ATOM 0 HD13 ILE A 31 -14.048 -21.780 12.833 1.00 22.40 H new ATOM 408 N ASN A 32 -16.894 -19.935 16.298 1.00 11.14 N ATOM 409 CA ASN A 32 -16.390 -20.018 17.664 1.00 1.54 C ATOM 410 C ASN A 32 -17.523 -20.299 18.646 1.00 30.14 C ATOM 411 O ASN A 32 -17.305 -20.862 19.720 1.00 64.23 O ATOM 412 CB ASN A 32 -15.679 -18.718 18.047 1.00 12.23 C ATOM 413 CG ASN A 32 -14.727 -18.901 19.214 1.00 73.35 C ATOM 414 OD1 ASN A 32 -15.152 -19.018 20.363 1.00 3.43 O ATOM 415 ND2 ASN A 32 -13.432 -18.928 18.921 1.00 12.23 N ATOM 0 H ASN A 32 -16.863 -18.999 15.893 1.00 11.14 H new ATOM 0 HA ASN A 32 -15.678 -20.842 17.713 1.00 1.54 H new ATOM 0 HB2 ASN A 32 -15.126 -18.342 17.186 1.00 12.23 H new ATOM 0 HB3 ASN A 32 -16.422 -17.963 18.303 1.00 12.23 H new ATOM 0 HD21 ASN A 32 -12.744 -19.050 19.664 1.00 12.23 H new ATOM 0 HD22 ASN A 32 -13.126 -18.827 17.953 1.00 12.23 H new ATOM 422 N THR A 33 -18.736 -19.904 18.271 1.00 2.25 N ATOM 423 CA THR A 33 -19.903 -20.113 19.118 1.00 15.42 C ATOM 424 C THR A 33 -20.500 -21.498 18.900 1.00 30.32 C ATOM 425 O THR A 33 -21.075 -22.089 19.815 1.00 12.14 O ATOM 426 CB THR A 33 -20.988 -19.052 18.851 1.00 2.54 C ATOM 427 OG1 THR A 33 -20.507 -17.755 19.223 1.00 23.13 O ATOM 428 CG2 THR A 33 -22.258 -19.369 19.627 1.00 45.50 C ATOM 0 H THR A 33 -18.935 -19.438 17.386 1.00 2.25 H new ATOM 0 HA THR A 33 -19.564 -20.025 20.150 1.00 15.42 H new ATOM 0 HB THR A 33 -21.220 -19.062 17.786 1.00 2.54 H new ATOM 0 HG1 THR A 33 -20.068 -17.336 18.454 1.00 23.13 H new ATOM 0 HG21 THR A 33 -23.009 -18.606 19.423 1.00 45.50 H new ATOM 0 HG22 THR A 33 -22.638 -20.344 19.321 1.00 45.50 H new ATOM 0 HG23 THR A 33 -22.038 -19.384 20.694 1.00 45.50 H new ATOM 436 N LEU A 34 -20.359 -22.013 17.684 1.00 73.03 N ATOM 437 CA LEU A 34 -20.884 -23.332 17.345 1.00 11.54 C ATOM 438 C LEU A 34 -20.252 -24.410 18.220 1.00 52.13 C ATOM 439 O LEU A 34 -20.924 -25.346 18.651 1.00 52.15 O ATOM 440 CB LEU A 34 -20.628 -23.641 15.869 1.00 0.33 C ATOM 441 CG LEU A 34 -20.435 -25.116 15.516 1.00 11.13 C ATOM 442 CD1 LEU A 34 -21.663 -25.923 15.907 1.00 73.21 C ATOM 443 CD2 LEU A 34 -20.140 -25.275 14.032 1.00 51.11 C ATOM 0 H LEU A 34 -19.886 -21.538 16.916 1.00 73.03 H new ATOM 0 HA LEU A 34 -21.959 -23.326 17.527 1.00 11.54 H new ATOM 0 HB2 LEU A 34 -21.465 -23.255 15.287 1.00 0.33 H new ATOM 0 HB3 LEU A 34 -19.741 -23.093 15.552 1.00 0.33 H new ATOM 0 HG LEU A 34 -19.582 -25.496 16.078 1.00 11.13 H new ATOM 0 HD11 LEU A 34 -21.508 -26.970 15.648 1.00 73.21 H new ATOM 0 HD12 LEU A 34 -21.829 -25.835 16.981 1.00 73.21 H new ATOM 0 HD13 LEU A 34 -22.534 -25.543 15.373 1.00 73.21 H new ATOM 0 HD21 LEU A 34 -20.005 -26.331 13.799 1.00 51.11 H new ATOM 0 HD22 LEU A 34 -20.973 -24.878 13.451 1.00 51.11 H new ATOM 0 HD23 LEU A 34 -19.230 -24.729 13.781 1.00 51.11 H new ATOM 455 N ASN A 35 -18.956 -24.270 18.479 1.00 13.22 N ATOM 456 CA ASN A 35 -18.234 -25.231 19.304 1.00 23.40 C ATOM 457 C ASN A 35 -16.803 -24.765 19.556 1.00 60.21 C ATOM 458 O ASN A 35 -15.906 -25.576 19.782 1.00 4.34 O ATOM 459 CB ASN A 35 -18.223 -26.606 18.631 1.00 13.53 C ATOM 460 CG ASN A 35 -17.691 -27.693 19.545 1.00 11.41 C ATOM 461 OD1 ASN A 35 -16.628 -28.262 19.297 1.00 10.23 O ATOM 462 ND2 ASN A 35 -18.431 -27.986 20.608 1.00 5.25 N ATOM 0 H ASN A 35 -18.385 -23.501 18.130 1.00 13.22 H new ATOM 0 HA ASN A 35 -18.747 -25.307 20.263 1.00 23.40 H new ATOM 0 HB2 ASN A 35 -19.235 -26.862 18.317 1.00 13.53 H new ATOM 0 HB3 ASN A 35 -17.612 -26.561 17.730 1.00 13.53 H new ATOM 0 HD21 ASN A 35 -18.125 -28.709 21.259 1.00 5.25 H new ATOM 0 HD22 ASN A 35 -19.306 -27.488 20.774 1.00 5.25 H new ATOM 469 N GLY A 36 -16.598 -23.452 19.515 1.00 32.02 N ATOM 470 CA GLY A 36 -15.275 -22.900 19.741 1.00 31.22 C ATOM 471 C GLY A 36 -15.139 -22.261 21.109 1.00 33.52 C ATOM 472 O GLY A 36 -14.127 -21.630 21.410 1.00 61.44 O ATOM 0 H GLY A 36 -17.325 -22.761 19.329 1.00 32.02 H new ATOM 0 HA2 GLY A 36 -14.532 -23.691 19.637 1.00 31.22 H new ATOM 0 HA3 GLY A 36 -15.059 -22.157 18.973 1.00 31.22 H new ATOM 476 N GLY A 37 -16.164 -22.424 21.941 1.00 2.01 N ATOM 477 CA GLY A 37 -16.135 -21.851 23.274 1.00 11.20 C ATOM 478 C GLY A 37 -17.459 -21.225 23.665 1.00 73.13 C ATOM 479 O GLY A 37 -17.996 -21.509 24.736 1.00 43.13 O ATOM 0 H GLY A 37 -17.013 -22.942 21.715 1.00 2.01 H new ATOM 0 HA2 GLY A 37 -15.877 -22.627 23.994 1.00 11.20 H new ATOM 0 HA3 GLY A 37 -15.351 -21.096 23.325 1.00 11.20 H new ATOM 483 N SER A 38 -17.987 -20.370 22.795 1.00 14.21 N ATOM 484 CA SER A 38 -19.255 -19.698 23.057 1.00 4.44 C ATOM 485 C SER A 38 -19.086 -18.615 24.119 1.00 22.45 C ATOM 486 O SER A 38 -19.191 -17.424 23.830 1.00 54.25 O ATOM 487 CB SER A 38 -20.310 -20.710 23.508 1.00 65.03 C ATOM 488 OG SER A 38 -20.167 -21.938 22.814 1.00 11.42 O ATOM 0 H SER A 38 -17.557 -20.126 21.903 1.00 14.21 H new ATOM 0 HA SER A 38 -19.586 -19.227 22.131 1.00 4.44 H new ATOM 0 HB2 SER A 38 -20.219 -20.882 24.581 1.00 65.03 H new ATOM 0 HB3 SER A 38 -21.306 -20.304 23.334 1.00 65.03 H new ATOM 0 HG SER A 38 -20.476 -21.830 21.890 1.00 11.42 H new ATOM 494 N SER A 39 -18.823 -19.040 25.351 1.00 30.03 N ATOM 495 CA SER A 39 -18.643 -18.109 26.459 1.00 52.42 C ATOM 496 C SER A 39 -17.380 -17.274 26.268 1.00 72.55 C ATOM 497 O SER A 39 -17.405 -16.051 26.402 1.00 4.04 O ATOM 498 CB SER A 39 -18.571 -18.868 27.785 1.00 44.01 C ATOM 499 OG SER A 39 -18.619 -17.977 28.886 1.00 65.20 O ATOM 0 H SER A 39 -18.730 -20.023 25.607 1.00 30.03 H new ATOM 0 HA SER A 39 -19.502 -17.438 26.480 1.00 52.42 H new ATOM 0 HB2 SER A 39 -19.399 -19.575 27.849 1.00 44.01 H new ATOM 0 HB3 SER A 39 -17.651 -19.451 27.825 1.00 44.01 H new ATOM 0 HG SER A 39 -18.573 -18.487 29.722 1.00 65.20 H new ATOM 505 N ASP A 40 -16.278 -17.946 25.953 1.00 41.44 N ATOM 506 CA ASP A 40 -15.004 -17.268 25.741 1.00 11.24 C ATOM 507 C ASP A 40 -14.910 -16.718 24.321 1.00 21.24 C ATOM 508 O ASP A 40 -13.882 -16.170 23.922 1.00 24.44 O ATOM 509 CB ASP A 40 -13.842 -18.225 26.009 1.00 61.40 C ATOM 510 CG ASP A 40 -13.458 -18.275 27.475 1.00 53.11 C ATOM 511 OD1 ASP A 40 -14.371 -18.277 28.328 1.00 60.34 O ATOM 512 OD2 ASP A 40 -12.246 -18.312 27.769 1.00 25.04 O ATOM 0 H ASP A 40 -16.241 -18.959 25.839 1.00 41.44 H new ATOM 0 HA ASP A 40 -14.945 -16.433 26.439 1.00 11.24 H new ATOM 0 HB2 ASP A 40 -14.115 -19.226 25.674 1.00 61.40 H new ATOM 0 HB3 ASP A 40 -12.978 -17.916 25.421 1.00 61.40 H new ATOM 517 N THR A 41 -15.990 -16.869 23.561 1.00 10.20 N ATOM 518 CA THR A 41 -16.029 -16.390 22.185 1.00 21.10 C ATOM 519 C THR A 41 -15.586 -14.934 22.097 1.00 64.33 C ATOM 520 O THR A 41 -14.640 -14.606 21.381 1.00 4.05 O ATOM 521 CB THR A 41 -17.441 -16.522 21.584 1.00 61.42 C ATOM 522 OG1 THR A 41 -17.772 -17.905 21.410 1.00 2.31 O ATOM 523 CG2 THR A 41 -17.529 -15.803 20.247 1.00 53.54 C ATOM 0 H THR A 41 -16.850 -17.319 23.875 1.00 10.20 H new ATOM 0 HA THR A 41 -15.340 -17.012 21.614 1.00 21.10 H new ATOM 0 HB THR A 41 -18.150 -16.063 22.273 1.00 61.42 H new ATOM 0 HG1 THR A 41 -16.991 -18.387 21.066 1.00 2.31 H new ATOM 0 HG21 THR A 41 -18.535 -15.910 19.842 1.00 53.54 H new ATOM 0 HG22 THR A 41 -17.305 -14.746 20.387 1.00 53.54 H new ATOM 0 HG23 THR A 41 -16.810 -16.237 19.552 1.00 53.54 H new ATOM 531 N ALA A 42 -16.275 -14.065 22.829 1.00 61.22 N ATOM 532 CA ALA A 42 -15.950 -12.644 22.835 1.00 60.32 C ATOM 533 C ALA A 42 -14.445 -12.426 22.943 1.00 43.11 C ATOM 534 O ALA A 42 -13.894 -11.517 22.322 1.00 44.11 O ATOM 535 CB ALA A 42 -16.670 -11.943 23.977 1.00 74.01 C ATOM 0 H ALA A 42 -17.062 -14.320 23.426 1.00 61.22 H new ATOM 0 HA ALA A 42 -16.286 -12.215 21.891 1.00 60.32 H new ATOM 0 HB1 ALA A 42 -16.418 -10.883 23.969 1.00 74.01 H new ATOM 0 HB2 ALA A 42 -17.747 -12.061 23.855 1.00 74.01 H new ATOM 0 HB3 ALA A 42 -16.362 -12.382 24.926 1.00 74.01 H new ATOM 541 N ASP A 43 -13.785 -13.264 23.735 1.00 15.02 N ATOM 542 CA ASP A 43 -12.343 -13.163 23.924 1.00 10.53 C ATOM 543 C ASP A 43 -11.596 -13.719 22.716 1.00 51.40 C ATOM 544 O ASP A 43 -10.649 -13.106 22.222 1.00 54.04 O ATOM 545 CB ASP A 43 -11.919 -13.910 25.190 1.00 53.13 C ATOM 546 CG ASP A 43 -11.793 -12.992 26.389 1.00 2.24 C ATOM 547 OD1 ASP A 43 -12.285 -11.846 26.315 1.00 74.30 O ATOM 548 OD2 ASP A 43 -11.202 -13.419 27.403 1.00 0.21 O ATOM 0 H ASP A 43 -14.226 -14.021 24.257 1.00 15.02 H new ATOM 0 HA ASP A 43 -12.089 -12.109 24.032 1.00 10.53 H new ATOM 0 HB2 ASP A 43 -12.648 -14.691 25.409 1.00 53.13 H new ATOM 0 HB3 ASP A 43 -10.964 -14.405 25.013 1.00 53.13 H new ATOM 553 N LYS A 44 -12.027 -14.884 22.245 1.00 13.22 N ATOM 554 CA LYS A 44 -11.401 -15.524 21.095 1.00 44.13 C ATOM 555 C LYS A 44 -11.514 -14.644 19.854 1.00 44.20 C ATOM 556 O LYS A 44 -10.511 -14.327 19.213 1.00 70.42 O ATOM 557 CB LYS A 44 -12.047 -16.885 20.828 1.00 63.22 C ATOM 558 CG LYS A 44 -11.633 -17.960 21.818 1.00 3.44 C ATOM 559 CD LYS A 44 -12.832 -18.743 22.325 1.00 11.45 C ATOM 560 CE LYS A 44 -12.462 -19.626 23.507 1.00 10.22 C ATOM 561 NZ LYS A 44 -11.667 -20.812 23.085 1.00 33.44 N ATOM 0 H LYS A 44 -12.809 -15.405 22.643 1.00 13.22 H new ATOM 0 HA LYS A 44 -10.345 -15.668 21.322 1.00 44.13 H new ATOM 0 HB2 LYS A 44 -13.131 -16.775 20.856 1.00 63.22 H new ATOM 0 HB3 LYS A 44 -11.786 -17.210 19.821 1.00 63.22 H new ATOM 0 HG2 LYS A 44 -10.927 -18.641 21.343 1.00 3.44 H new ATOM 0 HG3 LYS A 44 -11.115 -17.501 22.660 1.00 3.44 H new ATOM 0 HD2 LYS A 44 -13.621 -18.051 22.619 1.00 11.45 H new ATOM 0 HD3 LYS A 44 -13.232 -19.360 21.520 1.00 11.45 H new ATOM 0 HE2 LYS A 44 -11.891 -19.044 24.230 1.00 10.22 H new ATOM 0 HE3 LYS A 44 -13.370 -19.958 24.011 1.00 10.22 H new ATOM 0 HZ1 LYS A 44 -11.406 -21.371 23.922 1.00 33.44 H new ATOM 0 HZ2 LYS A 44 -12.234 -21.399 22.441 1.00 33.44 H new ATOM 0 HZ3 LYS A 44 -10.805 -20.496 22.597 1.00 33.44 H new ATOM 575 N ILE A 45 -12.739 -14.251 19.522 1.00 2.14 N ATOM 576 CA ILE A 45 -12.981 -13.405 18.360 1.00 31.22 C ATOM 577 C ILE A 45 -12.282 -12.058 18.505 1.00 4.14 C ATOM 578 O ILE A 45 -11.877 -11.447 17.516 1.00 70.41 O ATOM 579 CB ILE A 45 -14.487 -13.168 18.141 1.00 61.15 C ATOM 580 CG1 ILE A 45 -15.261 -14.478 18.304 1.00 43.11 C ATOM 581 CG2 ILE A 45 -14.733 -12.569 16.764 1.00 74.21 C ATOM 582 CD1 ILE A 45 -14.576 -15.668 17.668 1.00 12.41 C ATOM 0 H ILE A 45 -13.579 -14.505 20.041 1.00 2.14 H new ATOM 0 HA ILE A 45 -12.574 -13.931 17.496 1.00 31.22 H new ATOM 0 HB ILE A 45 -14.842 -12.463 18.892 1.00 61.15 H new ATOM 0 HG12 ILE A 45 -15.404 -14.676 19.366 1.00 43.11 H new ATOM 0 HG13 ILE A 45 -16.252 -14.362 17.865 1.00 43.11 H new ATOM 0 HG21 ILE A 45 -15.802 -12.407 16.623 1.00 74.21 H new ATOM 0 HG22 ILE A 45 -14.208 -11.617 16.682 1.00 74.21 H new ATOM 0 HG23 ILE A 45 -14.366 -13.253 15.999 1.00 74.21 H new ATOM 0 HD11 ILE A 45 -15.181 -16.561 17.823 1.00 12.41 H new ATOM 0 HD12 ILE A 45 -14.457 -15.491 16.599 1.00 12.41 H new ATOM 0 HD13 ILE A 45 -13.596 -15.810 18.124 1.00 12.41 H new ATOM 594 N ARG A 46 -12.141 -11.601 19.745 1.00 12.14 N ATOM 595 CA ARG A 46 -11.490 -10.326 20.020 1.00 2.15 C ATOM 596 C ARG A 46 -10.033 -10.350 19.566 1.00 33.53 C ATOM 597 O ARG A 46 -9.591 -9.476 18.820 1.00 22.43 O ATOM 598 CB ARG A 46 -11.564 -10.003 21.514 1.00 51.31 C ATOM 599 CG ARG A 46 -10.641 -8.873 21.939 1.00 1.32 C ATOM 600 CD ARG A 46 -11.316 -7.948 22.940 1.00 74.03 C ATOM 601 NE ARG A 46 -10.376 -7.436 23.933 1.00 34.33 N ATOM 602 CZ ARG A 46 -10.734 -6.666 24.955 1.00 21.42 C ATOM 603 NH1 ARG A 46 -12.004 -6.322 25.117 1.00 2.32 N ATOM 604 NH2 ARG A 46 -9.820 -6.240 25.818 1.00 71.32 N ATOM 0 H ARG A 46 -12.469 -12.095 20.575 1.00 12.14 H new ATOM 0 HA ARG A 46 -12.014 -9.551 19.461 1.00 2.15 H new ATOM 0 HB2 ARG A 46 -12.590 -9.738 21.769 1.00 51.31 H new ATOM 0 HB3 ARG A 46 -11.315 -10.898 22.083 1.00 51.31 H new ATOM 0 HG2 ARG A 46 -9.735 -9.288 22.380 1.00 1.32 H new ATOM 0 HG3 ARG A 46 -10.336 -8.302 21.062 1.00 1.32 H new ATOM 0 HD2 ARG A 46 -11.774 -7.113 22.410 1.00 74.03 H new ATOM 0 HD3 ARG A 46 -12.120 -8.484 23.444 1.00 74.03 H new ATOM 0 HE ARG A 46 -9.391 -7.683 23.837 1.00 34.33 H new ATOM 0 HH11 ARG A 46 -12.709 -6.649 24.456 1.00 2.32 H new ATOM 0 HH12 ARG A 46 -12.276 -5.731 25.902 1.00 2.32 H new ATOM 0 HH21 ARG A 46 -8.842 -6.504 25.697 1.00 71.32 H new ATOM 0 HH22 ARG A 46 -10.095 -5.649 26.602 1.00 71.32 H new ATOM 618 N ILE A 47 -9.294 -11.356 20.022 1.00 61.24 N ATOM 619 CA ILE A 47 -7.888 -11.494 19.662 1.00 72.34 C ATOM 620 C ILE A 47 -7.734 -12.078 18.261 1.00 11.41 C ATOM 621 O ILE A 47 -6.806 -11.729 17.530 1.00 32.23 O ATOM 622 CB ILE A 47 -7.136 -12.389 20.664 1.00 63.31 C ATOM 623 CG1 ILE A 47 -7.769 -13.781 20.713 1.00 24.41 C ATOM 624 CG2 ILE A 47 -7.135 -11.753 22.046 1.00 40.43 C ATOM 625 CD1 ILE A 47 -7.088 -14.787 19.811 1.00 1.11 C ATOM 0 H ILE A 47 -9.645 -12.087 20.641 1.00 61.24 H new ATOM 0 HA ILE A 47 -7.456 -10.493 19.686 1.00 72.34 H new ATOM 0 HB ILE A 47 -6.103 -12.492 20.332 1.00 63.31 H new ATOM 0 HG12 ILE A 47 -7.741 -14.148 21.739 1.00 24.41 H new ATOM 0 HG13 ILE A 47 -8.819 -13.704 20.430 1.00 24.41 H new ATOM 0 HG21 ILE A 47 -6.600 -12.398 22.743 1.00 40.43 H new ATOM 0 HG22 ILE A 47 -6.643 -10.782 21.999 1.00 40.43 H new ATOM 0 HG23 ILE A 47 -8.162 -11.623 22.388 1.00 40.43 H new ATOM 0 HD11 ILE A 47 -7.590 -15.751 19.897 1.00 1.11 H new ATOM 0 HD12 ILE A 47 -7.139 -14.442 18.778 1.00 1.11 H new ATOM 0 HD13 ILE A 47 -6.044 -14.893 20.107 1.00 1.11 H new ATOM 637 N HIS A 48 -8.651 -12.966 17.892 1.00 31.50 N ATOM 638 CA HIS A 48 -8.619 -13.597 16.577 1.00 22.01 C ATOM 639 C HIS A 48 -8.860 -12.569 15.476 1.00 72.23 C ATOM 640 O HIS A 48 -8.069 -12.450 14.541 1.00 51.13 O ATOM 641 CB HIS A 48 -9.668 -14.706 16.494 1.00 23.43 C ATOM 642 CG HIS A 48 -9.258 -15.971 17.184 1.00 64.11 C ATOM 643 ND1 HIS A 48 -10.137 -16.759 17.896 1.00 21.21 N ATOM 644 CD2 HIS A 48 -8.054 -16.584 17.266 1.00 62.41 C ATOM 645 CE1 HIS A 48 -9.491 -17.802 18.388 1.00 53.51 C ATOM 646 NE2 HIS A 48 -8.226 -17.719 18.019 1.00 24.55 N ATOM 0 H HIS A 48 -9.425 -13.265 18.485 1.00 31.50 H new ATOM 0 HA HIS A 48 -7.630 -14.032 16.434 1.00 22.01 H new ATOM 0 HB2 HIS A 48 -10.599 -14.348 16.933 1.00 23.43 H new ATOM 0 HB3 HIS A 48 -9.873 -14.923 15.446 1.00 23.43 H new ATOM 0 HD2 HIS A 48 -7.130 -16.244 16.822 1.00 62.41 H new ATOM 0 HE1 HIS A 48 -9.924 -18.588 18.989 1.00 53.51 H new ATOM 0 HE2 HIS A 48 -7.495 -18.390 18.255 1.00 24.55 H new ATOM 654 N ALA A 49 -9.958 -11.830 15.593 1.00 35.11 N ATOM 655 CA ALA A 49 -10.303 -10.812 14.608 1.00 30.14 C ATOM 656 C ALA A 49 -9.264 -9.696 14.586 1.00 15.34 C ATOM 657 O ALA A 49 -8.734 -9.347 13.531 1.00 34.12 O ATOM 658 CB ALA A 49 -11.685 -10.245 14.897 1.00 2.54 C ATOM 0 H ALA A 49 -10.624 -11.917 16.360 1.00 35.11 H new ATOM 0 HA ALA A 49 -10.314 -11.281 13.624 1.00 30.14 H new ATOM 0 HB1 ALA A 49 -11.930 -9.486 14.154 1.00 2.54 H new ATOM 0 HB2 ALA A 49 -12.423 -11.046 14.854 1.00 2.54 H new ATOM 0 HB3 ALA A 49 -11.694 -9.796 15.890 1.00 2.54 H new ATOM 664 N LYS A 50 -8.978 -9.137 15.758 1.00 70.44 N ATOM 665 CA LYS A 50 -8.002 -8.060 15.874 1.00 73.20 C ATOM 666 C LYS A 50 -6.669 -8.464 15.252 1.00 32.02 C ATOM 667 O LYS A 50 -6.090 -7.718 14.464 1.00 73.02 O ATOM 668 CB LYS A 50 -7.799 -7.685 17.344 1.00 61.23 C ATOM 669 CG LYS A 50 -7.032 -6.389 17.540 1.00 14.31 C ATOM 670 CD LYS A 50 -6.689 -6.160 19.003 1.00 54.24 C ATOM 671 CE LYS A 50 -7.868 -5.576 19.767 1.00 42.13 C ATOM 672 NZ LYS A 50 -7.424 -4.729 20.908 1.00 22.14 N ATOM 0 H LYS A 50 -9.409 -9.412 16.641 1.00 70.44 H new ATOM 0 HA LYS A 50 -8.387 -7.195 15.334 1.00 73.20 H new ATOM 0 HB2 LYS A 50 -8.773 -7.598 17.826 1.00 61.23 H new ATOM 0 HB3 LYS A 50 -7.266 -8.492 17.846 1.00 61.23 H new ATOM 0 HG2 LYS A 50 -6.116 -6.415 16.950 1.00 14.31 H new ATOM 0 HG3 LYS A 50 -7.626 -5.554 17.170 1.00 14.31 H new ATOM 0 HD2 LYS A 50 -6.389 -7.103 19.460 1.00 54.24 H new ATOM 0 HD3 LYS A 50 -5.836 -5.485 19.077 1.00 54.24 H new ATOM 0 HE2 LYS A 50 -8.481 -4.981 19.090 1.00 42.13 H new ATOM 0 HE3 LYS A 50 -8.497 -6.385 20.138 1.00 42.13 H new ATOM 0 HZ1 LYS A 50 -8.256 -4.350 21.403 1.00 22.14 H new ATOM 0 HZ2 LYS A 50 -6.860 -5.303 21.567 1.00 22.14 H new ATOM 0 HZ3 LYS A 50 -6.845 -3.942 20.552 1.00 22.14 H new ATOM 686 N ASN A 51 -6.189 -9.650 15.612 1.00 61.03 N ATOM 687 CA ASN A 51 -4.924 -10.153 15.088 1.00 72.11 C ATOM 688 C ASN A 51 -5.037 -10.461 13.598 1.00 44.12 C ATOM 689 O ASN A 51 -4.120 -10.183 12.825 1.00 44.04 O ATOM 690 CB ASN A 51 -4.497 -11.410 15.849 1.00 41.21 C ATOM 691 CG ASN A 51 -3.144 -11.926 15.399 1.00 62.11 C ATOM 692 OD1 ASN A 51 -2.118 -11.628 16.011 1.00 53.40 O ATOM 693 ND2 ASN A 51 -3.136 -12.705 14.324 1.00 62.25 N ATOM 0 H ASN A 51 -6.656 -10.280 16.264 1.00 61.03 H new ATOM 0 HA ASN A 51 -4.169 -9.379 15.225 1.00 72.11 H new ATOM 0 HB2 ASN A 51 -4.463 -11.191 16.916 1.00 41.21 H new ATOM 0 HB3 ASN A 51 -5.246 -12.189 15.707 1.00 41.21 H new ATOM 0 HD21 ASN A 51 -2.255 -13.082 13.974 1.00 62.25 H new ATOM 0 HD22 ASN A 51 -4.011 -12.926 13.848 1.00 62.25 H new ATOM 700 N PHE A 52 -6.167 -11.036 13.202 1.00 72.14 N ATOM 701 CA PHE A 52 -6.400 -11.382 11.804 1.00 30.23 C ATOM 702 C PHE A 52 -6.308 -10.146 10.915 1.00 10.41 C ATOM 703 O PHE A 52 -5.534 -10.113 9.959 1.00 10.21 O ATOM 704 CB PHE A 52 -7.772 -12.040 11.642 1.00 62.33 C ATOM 705 CG PHE A 52 -7.727 -13.541 11.694 1.00 1.34 C ATOM 706 CD1 PHE A 52 -6.877 -14.191 12.574 1.00 23.11 C ATOM 707 CD2 PHE A 52 -8.535 -14.301 10.864 1.00 45.33 C ATOM 708 CE1 PHE A 52 -6.833 -15.572 12.625 1.00 12.34 C ATOM 709 CE2 PHE A 52 -8.496 -15.681 10.911 1.00 64.41 C ATOM 710 CZ PHE A 52 -7.643 -16.318 11.792 1.00 51.31 C ATOM 0 H PHE A 52 -6.936 -11.272 13.829 1.00 72.14 H new ATOM 0 HA PHE A 52 -5.628 -12.087 11.496 1.00 30.23 H new ATOM 0 HB2 PHE A 52 -8.435 -11.677 12.427 1.00 62.33 H new ATOM 0 HB3 PHE A 52 -8.205 -11.730 10.691 1.00 62.33 H new ATOM 0 HD1 PHE A 52 -6.241 -13.612 13.228 1.00 23.11 H new ATOM 0 HD2 PHE A 52 -9.203 -13.809 10.172 1.00 45.33 H new ATOM 0 HE1 PHE A 52 -6.166 -16.067 13.316 1.00 12.34 H new ATOM 0 HE2 PHE A 52 -9.132 -16.262 10.259 1.00 64.41 H new ATOM 0 HZ PHE A 52 -7.610 -17.397 11.829 1.00 51.31 H new ATOM 720 N GLU A 53 -7.104 -9.131 11.238 1.00 73.20 N ATOM 721 CA GLU A 53 -7.114 -7.893 10.468 1.00 64.24 C ATOM 722 C GLU A 53 -5.720 -7.274 10.417 1.00 40.44 C ATOM 723 O GLU A 53 -5.250 -6.864 9.356 1.00 65.54 O ATOM 724 CB GLU A 53 -8.105 -6.897 11.073 1.00 23.12 C ATOM 725 CG GLU A 53 -8.083 -5.534 10.403 1.00 14.51 C ATOM 726 CD GLU A 53 -9.425 -5.156 9.807 1.00 53.52 C ATOM 727 OE1 GLU A 53 -10.142 -6.064 9.337 1.00 32.13 O ATOM 728 OE2 GLU A 53 -9.759 -3.952 9.809 1.00 25.21 O ATOM 0 H GLU A 53 -7.750 -9.142 12.027 1.00 73.20 H new ATOM 0 HA GLU A 53 -7.425 -8.130 9.451 1.00 64.24 H new ATOM 0 HB2 GLU A 53 -9.111 -7.311 11.003 1.00 23.12 H new ATOM 0 HB3 GLU A 53 -7.883 -6.775 12.133 1.00 23.12 H new ATOM 0 HG2 GLU A 53 -7.788 -4.779 11.132 1.00 14.51 H new ATOM 0 HG3 GLU A 53 -7.327 -5.531 9.618 1.00 14.51 H new ATOM 735 N ALA A 54 -5.066 -7.208 11.571 1.00 5.24 N ATOM 736 CA ALA A 54 -3.726 -6.640 11.659 1.00 41.10 C ATOM 737 C ALA A 54 -2.722 -7.477 10.874 1.00 72.43 C ATOM 738 O ALA A 54 -1.734 -6.956 10.358 1.00 24.54 O ATOM 739 CB ALA A 54 -3.296 -6.524 13.114 1.00 61.21 C ATOM 0 H ALA A 54 -5.442 -7.541 12.459 1.00 5.24 H new ATOM 0 HA ALA A 54 -3.751 -5.643 11.219 1.00 41.10 H new ATOM 0 HB1 ALA A 54 -2.294 -6.098 13.164 1.00 61.21 H new ATOM 0 HB2 ALA A 54 -3.992 -5.878 13.649 1.00 61.21 H new ATOM 0 HB3 ALA A 54 -3.294 -7.513 13.573 1.00 61.21 H new ATOM 745 N ALA A 55 -2.983 -8.778 10.787 1.00 2.33 N ATOM 746 CA ALA A 55 -2.103 -9.687 10.064 1.00 43.33 C ATOM 747 C ALA A 55 -2.271 -9.530 8.556 1.00 30.02 C ATOM 748 O ALA A 55 -1.291 -9.387 7.823 1.00 14.33 O ATOM 749 CB ALA A 55 -2.372 -11.125 10.480 1.00 20.21 C ATOM 0 H ALA A 55 -3.797 -9.225 11.209 1.00 2.33 H new ATOM 0 HA ALA A 55 -1.073 -9.434 10.317 1.00 43.33 H new ATOM 0 HB1 ALA A 55 -1.707 -11.793 9.932 1.00 20.21 H new ATOM 0 HB2 ALA A 55 -2.194 -11.234 11.550 1.00 20.21 H new ATOM 0 HB3 ALA A 55 -3.408 -11.381 10.257 1.00 20.21 H new ATOM 755 N LEU A 56 -3.518 -9.559 8.099 1.00 41.22 N ATOM 756 CA LEU A 56 -3.815 -9.420 6.677 1.00 23.52 C ATOM 757 C LEU A 56 -3.542 -7.998 6.200 1.00 15.51 C ATOM 758 O LEU A 56 -3.169 -7.779 5.048 1.00 44.24 O ATOM 759 CB LEU A 56 -5.273 -9.793 6.402 1.00 44.30 C ATOM 760 CG LEU A 56 -6.317 -9.115 7.289 1.00 34.13 C ATOM 761 CD1 LEU A 56 -6.957 -7.943 6.561 1.00 70.20 C ATOM 762 CD2 LEU A 56 -7.377 -10.117 7.726 1.00 42.52 C ATOM 0 H LEU A 56 -4.340 -9.677 8.692 1.00 41.22 H new ATOM 0 HA LEU A 56 -3.163 -10.098 6.126 1.00 23.52 H new ATOM 0 HB2 LEU A 56 -5.498 -9.555 5.363 1.00 44.30 H new ATOM 0 HB3 LEU A 56 -5.378 -10.872 6.511 1.00 44.30 H new ATOM 0 HG LEU A 56 -5.817 -8.733 8.179 1.00 34.13 H new ATOM 0 HD11 LEU A 56 -7.697 -7.473 7.208 1.00 70.20 H new ATOM 0 HD12 LEU A 56 -6.190 -7.215 6.299 1.00 70.20 H new ATOM 0 HD13 LEU A 56 -7.443 -8.300 5.653 1.00 70.20 H new ATOM 0 HD21 LEU A 56 -8.112 -9.617 8.357 1.00 42.52 H new ATOM 0 HD22 LEU A 56 -7.873 -10.529 6.847 1.00 42.52 H new ATOM 0 HD23 LEU A 56 -6.906 -10.924 8.288 1.00 42.52 H new ATOM 774 N PHE A 57 -3.730 -7.033 7.095 1.00 54.14 N ATOM 775 CA PHE A 57 -3.504 -5.630 6.765 1.00 20.45 C ATOM 776 C PHE A 57 -2.011 -5.318 6.714 1.00 13.13 C ATOM 777 O PHE A 57 -1.517 -4.756 5.737 1.00 11.15 O ATOM 778 CB PHE A 57 -4.191 -4.727 7.791 1.00 1.53 C ATOM 779 CG PHE A 57 -4.252 -3.285 7.374 1.00 13.11 C ATOM 780 CD1 PHE A 57 -3.099 -2.521 7.302 1.00 4.04 C ATOM 781 CD2 PHE A 57 -5.464 -2.694 7.054 1.00 2.41 C ATOM 782 CE1 PHE A 57 -3.151 -1.194 6.918 1.00 35.24 C ATOM 783 CE2 PHE A 57 -5.523 -1.368 6.669 1.00 2.42 C ATOM 784 CZ PHE A 57 -4.366 -0.617 6.602 1.00 5.44 C ATOM 0 H PHE A 57 -4.038 -7.197 8.054 1.00 54.14 H new ATOM 0 HA PHE A 57 -3.931 -5.440 5.780 1.00 20.45 H new ATOM 0 HB2 PHE A 57 -5.204 -5.091 7.963 1.00 1.53 H new ATOM 0 HB3 PHE A 57 -3.661 -4.800 8.741 1.00 1.53 H new ATOM 0 HD1 PHE A 57 -2.147 -2.968 7.549 1.00 4.04 H new ATOM 0 HD2 PHE A 57 -6.372 -3.276 7.106 1.00 2.41 H new ATOM 0 HE1 PHE A 57 -2.244 -0.610 6.865 1.00 35.24 H new ATOM 0 HE2 PHE A 57 -6.473 -0.919 6.421 1.00 2.42 H new ATOM 0 HZ PHE A 57 -4.411 0.420 6.303 1.00 5.44 H new ATOM 794 N ALA A 58 -1.299 -5.686 7.774 1.00 32.13 N ATOM 795 CA ALA A 58 0.137 -5.447 7.851 1.00 53.15 C ATOM 796 C ALA A 58 0.883 -6.242 6.785 1.00 60.32 C ATOM 797 O ALA A 58 1.910 -5.800 6.270 1.00 2.43 O ATOM 798 CB ALA A 58 0.658 -5.799 9.236 1.00 34.11 C ATOM 0 H ALA A 58 -1.693 -6.151 8.592 1.00 32.13 H new ATOM 0 HA ALA A 58 0.314 -4.387 7.668 1.00 53.15 H new ATOM 0 HB1 ALA A 58 1.732 -5.615 9.278 1.00 34.11 H new ATOM 0 HB2 ALA A 58 0.155 -5.183 9.981 1.00 34.11 H new ATOM 0 HB3 ALA A 58 0.461 -6.851 9.442 1.00 34.11 H new ATOM 804 N LYS A 59 0.361 -7.419 6.458 1.00 72.43 N ATOM 805 CA LYS A 59 0.977 -8.278 5.453 1.00 53.54 C ATOM 806 C LYS A 59 0.341 -8.055 4.084 1.00 61.11 C ATOM 807 O LYS A 59 0.769 -8.639 3.088 1.00 13.02 O ATOM 808 CB LYS A 59 0.843 -9.748 5.856 1.00 53.30 C ATOM 809 CG LYS A 59 1.460 -10.066 7.207 1.00 73.42 C ATOM 810 CD LYS A 59 2.962 -9.836 7.202 1.00 15.43 C ATOM 811 CE LYS A 59 3.713 -11.047 7.733 1.00 41.21 C ATOM 812 NZ LYS A 59 4.231 -11.904 6.631 1.00 24.43 N ATOM 0 H LYS A 59 -0.488 -7.801 6.875 1.00 72.43 H new ATOM 0 HA LYS A 59 2.034 -8.021 5.390 1.00 53.54 H new ATOM 0 HB2 LYS A 59 -0.213 -10.016 5.876 1.00 53.30 H new ATOM 0 HB3 LYS A 59 1.315 -10.369 5.095 1.00 53.30 H new ATOM 0 HG2 LYS A 59 0.998 -9.444 7.974 1.00 73.42 H new ATOM 0 HG3 LYS A 59 1.251 -11.103 7.469 1.00 73.42 H new ATOM 0 HD2 LYS A 59 3.294 -9.617 6.187 1.00 15.43 H new ATOM 0 HD3 LYS A 59 3.200 -8.964 7.811 1.00 15.43 H new ATOM 0 HE2 LYS A 59 4.543 -10.715 8.356 1.00 41.21 H new ATOM 0 HE3 LYS A 59 3.051 -11.634 8.370 1.00 41.21 H new ATOM 0 HZ1 LYS A 59 4.737 -12.719 7.033 1.00 24.43 H new ATOM 0 HZ2 LYS A 59 3.436 -12.242 6.051 1.00 24.43 H new ATOM 0 HZ3 LYS A 59 4.882 -11.351 6.038 1.00 24.43 H new ATOM 826 N SER A 60 -0.681 -7.206 4.042 1.00 60.30 N ATOM 827 CA SER A 60 -1.377 -6.909 2.795 1.00 3.45 C ATOM 828 C SER A 60 -0.399 -6.423 1.730 1.00 64.31 C ATOM 829 O SER A 60 0.323 -5.447 1.933 1.00 41.15 O ATOM 830 CB SER A 60 -2.458 -5.852 3.030 1.00 32.32 C ATOM 831 OG SER A 60 -2.031 -4.577 2.583 1.00 74.22 O ATOM 0 H SER A 60 -1.045 -6.712 4.857 1.00 60.30 H new ATOM 0 HA SER A 60 -1.846 -7.827 2.441 1.00 3.45 H new ATOM 0 HB2 SER A 60 -3.370 -6.138 2.506 1.00 32.32 H new ATOM 0 HB3 SER A 60 -2.701 -5.806 4.092 1.00 32.32 H new ATOM 0 HG SER A 60 -1.686 -4.063 3.342 1.00 74.22 H new ATOM 837 N SER A 61 -0.381 -7.113 0.594 1.00 62.12 N ATOM 838 CA SER A 61 0.511 -6.756 -0.503 1.00 52.04 C ATOM 839 C SER A 61 -0.162 -5.767 -1.451 1.00 32.35 C ATOM 840 O SER A 61 0.507 -5.031 -2.175 1.00 1.42 O ATOM 841 CB SER A 61 0.935 -8.009 -1.272 1.00 53.35 C ATOM 842 OG SER A 61 2.158 -7.798 -1.956 1.00 21.11 O ATOM 0 H SER A 61 -0.974 -7.922 0.409 1.00 62.12 H new ATOM 0 HA SER A 61 1.396 -6.282 -0.079 1.00 52.04 H new ATOM 0 HB2 SER A 61 1.041 -8.845 -0.581 1.00 53.35 H new ATOM 0 HB3 SER A 61 0.158 -8.282 -1.986 1.00 53.35 H new ATOM 0 HG SER A 61 2.408 -8.614 -2.438 1.00 21.11 H new ATOM 848 N SER A 62 -1.491 -5.758 -1.439 1.00 53.40 N ATOM 849 CA SER A 62 -2.257 -4.863 -2.299 1.00 43.12 C ATOM 850 C SER A 62 -3.753 -5.012 -2.044 1.00 34.05 C ATOM 851 O SER A 62 -4.184 -5.894 -1.300 1.00 3.11 O ATOM 852 CB SER A 62 -1.948 -5.148 -3.770 1.00 53.14 C ATOM 853 OG SER A 62 -1.415 -4.002 -4.411 1.00 24.02 O ATOM 0 H SER A 62 -2.060 -6.360 -0.844 1.00 53.40 H new ATOM 0 HA SER A 62 -1.967 -3.839 -2.065 1.00 43.12 H new ATOM 0 HB2 SER A 62 -1.238 -5.972 -3.843 1.00 53.14 H new ATOM 0 HB3 SER A 62 -2.857 -5.464 -4.281 1.00 53.14 H new ATOM 0 HG SER A 62 -1.225 -4.211 -5.349 1.00 24.02 H new ATOM 859 N LYS A 63 -4.543 -4.143 -2.665 1.00 41.15 N ATOM 860 CA LYS A 63 -5.992 -4.176 -2.508 1.00 71.21 C ATOM 861 C LYS A 63 -6.537 -5.574 -2.784 1.00 13.14 C ATOM 862 O LYS A 63 -7.554 -5.978 -2.218 1.00 44.12 O ATOM 863 CB LYS A 63 -6.651 -3.165 -3.449 1.00 72.54 C ATOM 864 CG LYS A 63 -6.244 -3.332 -4.903 1.00 24.30 C ATOM 865 CD LYS A 63 -6.899 -2.286 -5.789 1.00 63.44 C ATOM 866 CE LYS A 63 -6.706 -2.606 -7.264 1.00 52.10 C ATOM 867 NZ LYS A 63 -6.521 -1.373 -8.079 1.00 75.41 N ATOM 0 H LYS A 63 -4.203 -3.406 -3.283 1.00 41.15 H new ATOM 0 HA LYS A 63 -6.227 -3.910 -1.477 1.00 71.21 H new ATOM 0 HB2 LYS A 63 -7.734 -3.260 -3.370 1.00 72.54 H new ATOM 0 HB3 LYS A 63 -6.395 -2.157 -3.122 1.00 72.54 H new ATOM 0 HG2 LYS A 63 -5.160 -3.256 -4.989 1.00 24.30 H new ATOM 0 HG3 LYS A 63 -6.522 -4.328 -5.248 1.00 24.30 H new ATOM 0 HD2 LYS A 63 -7.964 -2.232 -5.564 1.00 63.44 H new ATOM 0 HD3 LYS A 63 -6.476 -1.305 -5.570 1.00 63.44 H new ATOM 0 HE2 LYS A 63 -5.838 -3.255 -7.384 1.00 52.10 H new ATOM 0 HE3 LYS A 63 -7.571 -3.158 -7.632 1.00 52.10 H new ATOM 0 HZ1 LYS A 63 -6.393 -1.633 -9.078 1.00 75.41 H new ATOM 0 HZ2 LYS A 63 -7.360 -0.765 -7.984 1.00 75.41 H new ATOM 0 HZ3 LYS A 63 -5.681 -0.859 -7.745 1.00 75.41 H new ATOM 881 N LYS A 64 -5.855 -6.309 -3.655 1.00 23.23 N ATOM 882 CA LYS A 64 -6.268 -7.663 -4.004 1.00 32.24 C ATOM 883 C LYS A 64 -5.895 -8.647 -2.900 1.00 34.45 C ATOM 884 O LYS A 64 -6.640 -9.584 -2.614 1.00 73.42 O ATOM 885 CB LYS A 64 -5.622 -8.092 -5.323 1.00 50.20 C ATOM 886 CG LYS A 64 -4.120 -7.871 -5.364 1.00 62.54 C ATOM 887 CD LYS A 64 -3.738 -6.825 -6.398 1.00 21.12 C ATOM 888 CE LYS A 64 -4.094 -7.276 -7.806 1.00 33.31 C ATOM 889 NZ LYS A 64 -3.501 -6.385 -8.841 1.00 14.31 N ATOM 0 H LYS A 64 -5.012 -5.989 -4.133 1.00 23.23 H new ATOM 0 HA LYS A 64 -7.352 -7.667 -4.119 1.00 32.24 H new ATOM 0 HB2 LYS A 64 -5.830 -9.148 -5.493 1.00 50.20 H new ATOM 0 HB3 LYS A 64 -6.085 -7.540 -6.141 1.00 50.20 H new ATOM 0 HG2 LYS A 64 -3.771 -7.556 -4.381 1.00 62.54 H new ATOM 0 HG3 LYS A 64 -3.619 -8.811 -5.594 1.00 62.54 H new ATOM 0 HD2 LYS A 64 -4.249 -5.888 -6.175 1.00 21.12 H new ATOM 0 HD3 LYS A 64 -2.668 -6.627 -6.338 1.00 21.12 H new ATOM 0 HE2 LYS A 64 -3.742 -8.296 -7.960 1.00 33.31 H new ATOM 0 HE3 LYS A 64 -5.178 -7.292 -7.919 1.00 33.31 H new ATOM 0 HZ1 LYS A 64 -3.767 -6.726 -9.787 1.00 14.31 H new ATOM 0 HZ2 LYS A 64 -3.856 -5.416 -8.710 1.00 14.31 H new ATOM 0 HZ3 LYS A 64 -2.465 -6.389 -8.750 1.00 14.31 H new ATOM 903 N GLU A 65 -4.739 -8.427 -2.282 1.00 13.34 N ATOM 904 CA GLU A 65 -4.270 -9.295 -1.208 1.00 44.13 C ATOM 905 C GLU A 65 -5.035 -9.025 0.084 1.00 73.41 C ATOM 906 O GLU A 65 -5.296 -9.940 0.866 1.00 3.22 O ATOM 907 CB GLU A 65 -2.771 -9.093 -0.978 1.00 4.55 C ATOM 908 CG GLU A 65 -1.916 -10.241 -1.486 1.00 20.42 C ATOM 909 CD GLU A 65 -1.626 -10.140 -2.971 1.00 32.42 C ATOM 910 OE1 GLU A 65 -2.582 -9.950 -3.751 1.00 14.11 O ATOM 911 OE2 GLU A 65 -0.442 -10.252 -3.352 1.00 52.25 O ATOM 0 H GLU A 65 -4.110 -7.656 -2.506 1.00 13.34 H new ATOM 0 HA GLU A 65 -4.449 -10.328 -1.506 1.00 44.13 H new ATOM 0 HB2 GLU A 65 -2.458 -8.172 -1.470 1.00 4.55 H new ATOM 0 HB3 GLU A 65 -2.590 -8.961 0.089 1.00 4.55 H new ATOM 0 HG2 GLU A 65 -0.975 -10.259 -0.936 1.00 20.42 H new ATOM 0 HG3 GLU A 65 -2.423 -11.184 -1.282 1.00 20.42 H new ATOM 918 N TYR A 66 -5.392 -7.764 0.301 1.00 72.51 N ATOM 919 CA TYR A 66 -6.125 -7.373 1.499 1.00 51.10 C ATOM 920 C TYR A 66 -7.530 -7.967 1.496 1.00 14.24 C ATOM 921 O TYR A 66 -7.931 -8.645 2.442 1.00 53.12 O ATOM 922 CB TYR A 66 -6.204 -5.849 1.599 1.00 43.41 C ATOM 923 CG TYR A 66 -6.897 -5.359 2.850 1.00 4.32 C ATOM 924 CD1 TYR A 66 -6.270 -5.429 4.088 1.00 1.12 C ATOM 925 CD2 TYR A 66 -8.178 -4.825 2.794 1.00 12.42 C ATOM 926 CE1 TYR A 66 -6.900 -4.983 5.234 1.00 63.20 C ATOM 927 CE2 TYR A 66 -8.815 -4.375 3.935 1.00 72.02 C ATOM 928 CZ TYR A 66 -8.172 -4.457 5.152 1.00 10.12 C ATOM 929 OH TYR A 66 -8.802 -4.011 6.291 1.00 12.51 O ATOM 0 H TYR A 66 -5.186 -6.995 -0.337 1.00 72.51 H new ATOM 0 HA TYR A 66 -5.588 -7.760 2.365 1.00 51.10 H new ATOM 0 HB2 TYR A 66 -5.195 -5.439 1.569 1.00 43.41 H new ATOM 0 HB3 TYR A 66 -6.732 -5.463 0.727 1.00 43.41 H new ATOM 0 HD1 TYR A 66 -5.273 -5.839 4.156 1.00 1.12 H new ATOM 0 HD2 TYR A 66 -8.685 -4.760 1.843 1.00 12.42 H new ATOM 0 HE1 TYR A 66 -6.399 -5.046 6.189 1.00 63.20 H new ATOM 0 HE2 TYR A 66 -9.811 -3.961 3.874 1.00 72.02 H new ATOM 0 HH TYR A 66 -9.697 -3.684 6.063 1.00 12.51 H new ATOM 939 N MET A 67 -8.274 -7.707 0.426 1.00 44.42 N ATOM 940 CA MET A 67 -9.634 -8.217 0.298 1.00 41.50 C ATOM 941 C MET A 67 -9.639 -9.740 0.227 1.00 21.24 C ATOM 942 O MET A 67 -10.567 -10.390 0.709 1.00 60.20 O ATOM 943 CB MET A 67 -10.305 -7.634 -0.948 1.00 24.43 C ATOM 944 CG MET A 67 -9.661 -8.083 -2.250 1.00 15.00 C ATOM 945 SD MET A 67 -10.634 -9.334 -3.110 1.00 71.20 S ATOM 946 CE MET A 67 -9.518 -9.777 -4.439 1.00 5.42 C ATOM 0 H MET A 67 -7.958 -7.146 -0.365 1.00 44.42 H new ATOM 0 HA MET A 67 -10.195 -7.911 1.181 1.00 41.50 H new ATOM 0 HB2 MET A 67 -11.356 -7.922 -0.953 1.00 24.43 H new ATOM 0 HB3 MET A 67 -10.273 -6.546 -0.893 1.00 24.43 H new ATOM 0 HG2 MET A 67 -9.528 -7.220 -2.902 1.00 15.00 H new ATOM 0 HG3 MET A 67 -8.668 -8.481 -2.042 1.00 15.00 H new ATOM 0 HE1 MET A 67 -10.030 -10.436 -5.140 1.00 5.42 H new ATOM 0 HE2 MET A 67 -9.195 -8.875 -4.959 1.00 5.42 H new ATOM 0 HE3 MET A 67 -8.649 -10.290 -4.028 1.00 5.42 H new ATOM 956 N ASP A 68 -8.598 -10.303 -0.375 1.00 62.55 N ATOM 957 CA ASP A 68 -8.482 -11.751 -0.508 1.00 72.12 C ATOM 958 C ASP A 68 -8.416 -12.419 0.862 1.00 54.12 C ATOM 959 O ASP A 68 -9.154 -13.365 1.138 1.00 11.34 O ATOM 960 CB ASP A 68 -7.241 -12.112 -1.325 1.00 62.25 C ATOM 961 CG ASP A 68 -6.884 -13.582 -1.217 1.00 42.34 C ATOM 962 OD1 ASP A 68 -7.802 -14.423 -1.309 1.00 22.15 O ATOM 963 OD2 ASP A 68 -5.686 -13.890 -1.041 1.00 34.32 O ATOM 0 H ASP A 68 -7.822 -9.779 -0.779 1.00 62.55 H new ATOM 0 HA ASP A 68 -9.368 -12.115 -1.028 1.00 72.12 H new ATOM 0 HB2 ASP A 68 -7.412 -11.859 -2.371 1.00 62.25 H new ATOM 0 HB3 ASP A 68 -6.398 -11.510 -0.985 1.00 62.25 H new ATOM 968 N SER A 69 -7.527 -11.921 1.715 1.00 14.22 N ATOM 969 CA SER A 69 -7.362 -12.472 3.055 1.00 64.21 C ATOM 970 C SER A 69 -8.639 -12.306 3.873 1.00 61.44 C ATOM 971 O SER A 69 -9.031 -13.202 4.619 1.00 34.34 O ATOM 972 CB SER A 69 -6.193 -11.790 3.769 1.00 32.12 C ATOM 973 OG SER A 69 -4.967 -12.058 3.112 1.00 61.34 O ATOM 0 H SER A 69 -6.910 -11.137 1.502 1.00 14.22 H new ATOM 0 HA SER A 69 -7.149 -13.537 2.959 1.00 64.21 H new ATOM 0 HB2 SER A 69 -6.362 -10.714 3.804 1.00 32.12 H new ATOM 0 HB3 SER A 69 -6.140 -12.138 4.801 1.00 32.12 H new ATOM 0 HG SER A 69 -4.861 -11.445 2.355 1.00 61.34 H new ATOM 979 N MET A 70 -9.283 -11.153 3.725 1.00 62.20 N ATOM 980 CA MET A 70 -10.517 -10.869 4.449 1.00 62.34 C ATOM 981 C MET A 70 -11.636 -11.806 4.003 1.00 3.44 C ATOM 982 O MET A 70 -12.266 -12.469 4.825 1.00 23.45 O ATOM 983 CB MET A 70 -10.937 -9.414 4.232 1.00 60.30 C ATOM 984 CG MET A 70 -10.123 -8.420 5.044 1.00 55.51 C ATOM 985 SD MET A 70 -10.302 -8.663 6.822 1.00 52.15 S ATOM 986 CE MET A 70 -12.082 -8.798 6.967 1.00 32.24 C ATOM 0 H MET A 70 -8.971 -10.401 3.111 1.00 62.20 H new ATOM 0 HA MET A 70 -10.332 -11.031 5.511 1.00 62.34 H new ATOM 0 HB2 MET A 70 -10.842 -9.171 3.174 1.00 60.30 H new ATOM 0 HB3 MET A 70 -11.990 -9.306 4.490 1.00 60.30 H new ATOM 0 HG2 MET A 70 -9.071 -8.511 4.773 1.00 55.51 H new ATOM 0 HG3 MET A 70 -10.432 -7.407 4.787 1.00 55.51 H new ATOM 0 HE1 MET A 70 -12.404 -8.361 7.912 1.00 32.24 H new ATOM 0 HE2 MET A 70 -12.556 -8.267 6.142 1.00 32.24 H new ATOM 0 HE3 MET A 70 -12.371 -9.849 6.935 1.00 32.24 H new ATOM 996 N ASN A 71 -11.877 -11.853 2.697 1.00 12.03 N ATOM 997 CA ASN A 71 -12.921 -12.708 2.144 1.00 52.44 C ATOM 998 C ASN A 71 -12.588 -14.181 2.358 1.00 74.14 C ATOM 999 O ASN A 71 -13.480 -15.027 2.412 1.00 14.14 O ATOM 1000 CB ASN A 71 -13.102 -12.426 0.651 1.00 45.44 C ATOM 1001 CG ASN A 71 -14.069 -13.391 -0.007 1.00 41.43 C ATOM 1002 OD1 ASN A 71 -13.666 -14.427 -0.536 1.00 51.44 O ATOM 1003 ND2 ASN A 71 -15.353 -13.053 0.023 1.00 70.41 N ATOM 0 H ASN A 71 -11.364 -11.310 2.003 1.00 12.03 H new ATOM 0 HA ASN A 71 -13.852 -12.485 2.665 1.00 52.44 H new ATOM 0 HB2 ASN A 71 -13.464 -11.406 0.518 1.00 45.44 H new ATOM 0 HB3 ASN A 71 -12.135 -12.489 0.152 1.00 45.44 H new ATOM 0 HD21 ASN A 71 -16.051 -13.662 -0.404 1.00 70.41 H new ATOM 0 HD22 ASN A 71 -15.641 -12.184 0.473 1.00 70.41 H new ATOM 1010 N GLU A 72 -11.299 -14.479 2.478 1.00 25.44 N ATOM 1011 CA GLU A 72 -10.849 -15.851 2.686 1.00 4.24 C ATOM 1012 C GLU A 72 -11.058 -16.278 4.136 1.00 21.23 C ATOM 1013 O GLU A 72 -11.707 -17.288 4.411 1.00 53.52 O ATOM 1014 CB GLU A 72 -9.372 -15.989 2.311 1.00 62.15 C ATOM 1015 CG GLU A 72 -8.814 -17.385 2.536 1.00 55.52 C ATOM 1016 CD GLU A 72 -7.810 -17.790 1.475 1.00 4.30 C ATOM 1017 OE1 GLU A 72 -7.118 -16.898 0.941 1.00 25.01 O ATOM 1018 OE2 GLU A 72 -7.715 -18.999 1.179 1.00 34.52 O ATOM 0 H GLU A 72 -10.548 -13.790 2.435 1.00 25.44 H new ATOM 0 HA GLU A 72 -11.442 -16.502 2.044 1.00 4.24 H new ATOM 0 HB2 GLU A 72 -9.246 -15.721 1.262 1.00 62.15 H new ATOM 0 HB3 GLU A 72 -8.790 -15.276 2.894 1.00 62.15 H new ATOM 0 HG2 GLU A 72 -8.339 -17.429 3.516 1.00 55.52 H new ATOM 0 HG3 GLU A 72 -9.634 -18.103 2.547 1.00 55.52 H new ATOM 1025 N LYS A 73 -10.502 -15.503 5.061 1.00 14.14 N ATOM 1026 CA LYS A 73 -10.627 -15.798 6.484 1.00 73.53 C ATOM 1027 C LYS A 73 -12.093 -15.934 6.885 1.00 62.55 C ATOM 1028 O LYS A 73 -12.445 -16.776 7.711 1.00 72.21 O ATOM 1029 CB LYS A 73 -9.960 -14.700 7.314 1.00 12.04 C ATOM 1030 CG LYS A 73 -8.518 -15.006 7.681 1.00 13.41 C ATOM 1031 CD LYS A 73 -7.643 -15.131 6.445 1.00 11.33 C ATOM 1032 CE LYS A 73 -6.297 -15.757 6.776 1.00 33.44 C ATOM 1033 NZ LYS A 73 -5.925 -16.819 5.801 1.00 61.21 N ATOM 0 H LYS A 73 -9.960 -14.665 4.851 1.00 14.14 H new ATOM 0 HA LYS A 73 -10.126 -16.746 6.678 1.00 73.53 H new ATOM 0 HB2 LYS A 73 -9.993 -13.764 6.757 1.00 12.04 H new ATOM 0 HB3 LYS A 73 -10.534 -14.548 8.228 1.00 12.04 H new ATOM 0 HG2 LYS A 73 -8.130 -14.216 8.324 1.00 13.41 H new ATOM 0 HG3 LYS A 73 -8.476 -15.933 8.253 1.00 13.41 H new ATOM 0 HD2 LYS A 73 -8.153 -15.737 5.697 1.00 11.33 H new ATOM 0 HD3 LYS A 73 -7.489 -14.145 6.006 1.00 11.33 H new ATOM 0 HE2 LYS A 73 -5.529 -14.984 6.782 1.00 33.44 H new ATOM 0 HE3 LYS A 73 -6.330 -16.181 7.780 1.00 33.44 H new ATOM 0 HZ1 LYS A 73 -5.002 -17.221 6.061 1.00 61.21 H new ATOM 0 HZ2 LYS A 73 -6.645 -17.569 5.813 1.00 61.21 H new ATOM 0 HZ3 LYS A 73 -5.868 -16.410 4.847 1.00 61.21 H new ATOM 1047 N VAL A 74 -12.943 -15.102 6.293 1.00 53.23 N ATOM 1048 CA VAL A 74 -14.371 -15.131 6.586 1.00 31.02 C ATOM 1049 C VAL A 74 -15.055 -16.293 5.874 1.00 2.14 C ATOM 1050 O VAL A 74 -15.989 -16.894 6.403 1.00 74.43 O ATOM 1051 CB VAL A 74 -15.056 -13.815 6.172 1.00 33.15 C ATOM 1052 CG1 VAL A 74 -14.399 -12.630 6.864 1.00 34.42 C ATOM 1053 CG2 VAL A 74 -15.019 -13.648 4.661 1.00 74.11 C ATOM 0 H VAL A 74 -12.668 -14.399 5.607 1.00 53.23 H new ATOM 0 HA VAL A 74 -14.470 -15.260 7.664 1.00 31.02 H new ATOM 0 HB VAL A 74 -16.099 -13.855 6.485 1.00 33.15 H new ATOM 0 HG11 VAL A 74 -14.896 -11.709 6.559 1.00 34.42 H new ATOM 0 HG12 VAL A 74 -14.483 -12.747 7.944 1.00 34.42 H new ATOM 0 HG13 VAL A 74 -13.346 -12.583 6.585 1.00 34.42 H new ATOM 0 HG21 VAL A 74 -15.507 -12.713 4.386 1.00 74.11 H new ATOM 0 HG22 VAL A 74 -13.983 -13.630 4.322 1.00 74.11 H new ATOM 0 HG23 VAL A 74 -15.540 -14.482 4.190 1.00 74.11 H new ATOM 1063 N ALA A 75 -14.582 -16.604 4.672 1.00 42.21 N ATOM 1064 CA ALA A 75 -15.146 -17.696 3.888 1.00 3.41 C ATOM 1065 C ALA A 75 -14.804 -19.048 4.505 1.00 53.20 C ATOM 1066 O ALA A 75 -15.619 -19.971 4.493 1.00 50.43 O ATOM 1067 CB ALA A 75 -14.646 -17.627 2.452 1.00 35.34 C ATOM 0 H ALA A 75 -13.809 -16.115 4.220 1.00 42.21 H new ATOM 0 HA ALA A 75 -16.231 -17.590 3.889 1.00 3.41 H new ATOM 0 HB1 ALA A 75 -15.075 -18.448 1.878 1.00 35.34 H new ATOM 0 HB2 ALA A 75 -14.946 -16.678 2.008 1.00 35.34 H new ATOM 0 HB3 ALA A 75 -13.559 -17.705 2.441 1.00 35.34 H new ATOM 1073 N VAL A 76 -13.594 -19.159 5.044 1.00 51.33 N ATOM 1074 CA VAL A 76 -13.145 -20.398 5.666 1.00 60.40 C ATOM 1075 C VAL A 76 -13.768 -20.578 7.046 1.00 52.13 C ATOM 1076 O VAL A 76 -14.163 -21.682 7.421 1.00 44.43 O ATOM 1077 CB VAL A 76 -11.611 -20.436 5.799 1.00 61.12 C ATOM 1078 CG1 VAL A 76 -11.127 -19.326 6.719 1.00 40.43 C ATOM 1079 CG2 VAL A 76 -11.154 -21.796 6.305 1.00 43.14 C ATOM 0 H VAL A 76 -12.907 -18.405 5.062 1.00 51.33 H new ATOM 0 HA VAL A 76 -13.466 -21.212 5.016 1.00 60.40 H new ATOM 0 HB VAL A 76 -11.174 -20.275 4.813 1.00 61.12 H new ATOM 0 HG11 VAL A 76 -10.041 -19.369 6.801 1.00 40.43 H new ATOM 0 HG12 VAL A 76 -11.422 -18.360 6.310 1.00 40.43 H new ATOM 0 HG13 VAL A 76 -11.570 -19.453 7.707 1.00 40.43 H new ATOM 0 HG21 VAL A 76 -10.068 -21.805 6.393 1.00 43.14 H new ATOM 0 HG22 VAL A 76 -11.599 -21.989 7.281 1.00 43.14 H new ATOM 0 HG23 VAL A 76 -11.468 -22.569 5.604 1.00 43.14 H new ATOM 1089 N MET A 77 -13.854 -19.485 7.797 1.00 40.11 N ATOM 1090 CA MET A 77 -14.431 -19.522 9.136 1.00 53.45 C ATOM 1091 C MET A 77 -15.942 -19.719 9.071 1.00 75.24 C ATOM 1092 O MET A 77 -16.486 -20.629 9.697 1.00 72.13 O ATOM 1093 CB MET A 77 -14.106 -18.231 9.890 1.00 21.10 C ATOM 1094 CG MET A 77 -12.671 -18.162 10.386 1.00 65.44 C ATOM 1095 SD MET A 77 -12.317 -19.386 11.662 1.00 12.21 S ATOM 1096 CE MET A 77 -10.622 -18.973 12.066 1.00 22.25 C ATOM 0 H MET A 77 -13.532 -18.563 7.502 1.00 40.11 H new ATOM 0 HA MET A 77 -13.994 -20.366 9.670 1.00 53.45 H new ATOM 0 HB2 MET A 77 -14.297 -17.380 9.236 1.00 21.10 H new ATOM 0 HB3 MET A 77 -14.781 -18.137 10.741 1.00 21.10 H new ATOM 0 HG2 MET A 77 -11.993 -18.312 9.546 1.00 65.44 H new ATOM 0 HG3 MET A 77 -12.475 -17.165 10.780 1.00 65.44 H new ATOM 0 HE1 MET A 77 -10.174 -19.789 12.634 1.00 22.25 H new ATOM 0 HE2 MET A 77 -10.057 -18.817 11.147 1.00 22.25 H new ATOM 0 HE3 MET A 77 -10.602 -18.061 12.663 1.00 22.25 H new ATOM 1106 N ARG A 78 -16.615 -18.861 8.310 1.00 22.41 N ATOM 1107 CA ARG A 78 -18.063 -18.941 8.165 1.00 33.42 C ATOM 1108 C ARG A 78 -18.480 -20.302 7.615 1.00 33.21 C ATOM 1109 O ARG A 78 -19.468 -20.886 8.059 1.00 54.44 O ATOM 1110 CB ARG A 78 -18.567 -17.830 7.242 1.00 31.25 C ATOM 1111 CG ARG A 78 -20.075 -17.646 7.278 1.00 34.00 C ATOM 1112 CD ARG A 78 -20.524 -16.540 6.336 1.00 40.12 C ATOM 1113 NE ARG A 78 -21.772 -16.874 5.655 1.00 50.32 N ATOM 1114 CZ ARG A 78 -22.561 -15.971 5.082 1.00 64.33 C ATOM 1115 NH1 ARG A 78 -22.232 -14.687 5.107 1.00 22.21 N ATOM 1116 NH2 ARG A 78 -23.681 -16.353 4.481 1.00 25.01 N ATOM 0 H ARG A 78 -16.180 -18.103 7.785 1.00 22.41 H new ATOM 0 HA ARG A 78 -18.509 -18.815 9.151 1.00 33.42 H new ATOM 0 HB2 ARG A 78 -18.088 -16.892 7.522 1.00 31.25 H new ATOM 0 HB3 ARG A 78 -18.261 -18.052 6.220 1.00 31.25 H new ATOM 0 HG2 ARG A 78 -20.563 -18.581 7.002 1.00 34.00 H new ATOM 0 HG3 ARG A 78 -20.390 -17.410 8.294 1.00 34.00 H new ATOM 0 HD2 ARG A 78 -20.654 -15.615 6.898 1.00 40.12 H new ATOM 0 HD3 ARG A 78 -19.745 -16.356 5.596 1.00 40.12 H new ATOM 0 HE ARG A 78 -22.053 -17.854 5.617 1.00 50.32 H new ATOM 0 HH11 ARG A 78 -21.371 -14.390 5.567 1.00 22.21 H new ATOM 0 HH12 ARG A 78 -22.839 -13.996 4.666 1.00 22.21 H new ATOM 0 HH21 ARG A 78 -23.937 -17.340 4.459 1.00 25.01 H new ATOM 0 HH22 ARG A 78 -24.286 -15.659 4.041 1.00 25.01 H new ATOM 1130 N ASN A 79 -17.720 -20.801 6.646 1.00 62.30 N ATOM 1131 CA ASN A 79 -18.011 -22.093 6.034 1.00 11.23 C ATOM 1132 C ASN A 79 -17.929 -23.214 7.066 1.00 73.02 C ATOM 1133 O ASN A 79 -18.861 -24.005 7.216 1.00 54.15 O ATOM 1134 CB ASN A 79 -17.037 -22.368 4.887 1.00 72.31 C ATOM 1135 CG ASN A 79 -17.177 -23.774 4.335 1.00 3.10 C ATOM 1136 OD1 ASN A 79 -16.380 -24.658 4.649 1.00 3.03 O ATOM 1137 ND2 ASN A 79 -18.193 -23.986 3.507 1.00 31.22 N ATOM 0 H ASN A 79 -16.898 -20.331 6.267 1.00 62.30 H new ATOM 0 HA ASN A 79 -19.026 -22.060 5.639 1.00 11.23 H new ATOM 0 HB2 ASN A 79 -17.209 -21.648 4.087 1.00 72.31 H new ATOM 0 HB3 ASN A 79 -16.016 -22.218 5.237 1.00 72.31 H new ATOM 0 HD21 ASN A 79 -18.337 -24.912 3.103 1.00 31.22 H new ATOM 0 HD22 ASN A 79 -18.829 -23.223 3.275 1.00 31.22 H new ATOM 1144 N THR A 80 -16.807 -23.276 7.776 1.00 34.55 N ATOM 1145 CA THR A 80 -16.603 -24.300 8.793 1.00 21.24 C ATOM 1146 C THR A 80 -17.727 -24.285 9.823 1.00 74.35 C ATOM 1147 O THR A 80 -18.017 -25.301 10.455 1.00 71.45 O ATOM 1148 CB THR A 80 -15.257 -24.111 9.518 1.00 63.21 C ATOM 1149 OG1 THR A 80 -14.964 -22.716 9.652 1.00 12.11 O ATOM 1150 CG2 THR A 80 -14.132 -24.800 8.759 1.00 54.42 C ATOM 0 H THR A 80 -16.026 -22.629 7.666 1.00 34.55 H new ATOM 0 HA THR A 80 -16.599 -25.260 8.277 1.00 21.24 H new ATOM 0 HB THR A 80 -15.336 -24.562 10.507 1.00 63.21 H new ATOM 0 HG1 THR A 80 -15.800 -22.205 9.657 1.00 12.11 H new ATOM 0 HG21 THR A 80 -13.191 -24.653 9.290 1.00 54.42 H new ATOM 0 HG22 THR A 80 -14.343 -25.867 8.684 1.00 54.42 H new ATOM 0 HG23 THR A 80 -14.054 -24.375 7.758 1.00 54.42 H new ATOM 1158 N TYR A 81 -18.358 -23.128 9.986 1.00 52.24 N ATOM 1159 CA TYR A 81 -19.451 -22.981 10.940 1.00 3.40 C ATOM 1160 C TYR A 81 -20.728 -23.624 10.409 1.00 12.22 C ATOM 1161 O TYR A 81 -21.420 -24.342 11.129 1.00 14.34 O ATOM 1162 CB TYR A 81 -19.698 -21.501 11.240 1.00 21.20 C ATOM 1163 CG TYR A 81 -21.046 -21.228 11.868 1.00 4.25 C ATOM 1164 CD1 TYR A 81 -21.428 -21.863 13.043 1.00 34.22 C ATOM 1165 CD2 TYR A 81 -21.936 -20.333 11.288 1.00 40.14 C ATOM 1166 CE1 TYR A 81 -22.659 -21.617 13.620 1.00 11.11 C ATOM 1167 CE2 TYR A 81 -23.168 -20.079 11.858 1.00 32.35 C ATOM 1168 CZ TYR A 81 -23.525 -20.724 13.024 1.00 34.03 C ATOM 1169 OH TYR A 81 -24.752 -20.475 13.597 1.00 43.13 O ATOM 0 H TYR A 81 -18.132 -22.278 9.470 1.00 52.24 H new ATOM 0 HA TYR A 81 -19.166 -23.489 11.861 1.00 3.40 H new ATOM 0 HB2 TYR A 81 -18.916 -21.138 11.907 1.00 21.20 H new ATOM 0 HB3 TYR A 81 -19.616 -20.932 10.314 1.00 21.20 H new ATOM 0 HD1 TYR A 81 -20.751 -22.561 13.513 1.00 34.22 H new ATOM 0 HD2 TYR A 81 -21.660 -19.827 10.375 1.00 40.14 H new ATOM 0 HE1 TYR A 81 -22.942 -22.121 14.532 1.00 11.11 H new ATOM 0 HE2 TYR A 81 -23.848 -19.380 11.394 1.00 32.35 H new ATOM 0 HH TYR A 81 -25.240 -19.821 13.054 1.00 43.13 H new ATOM 1179 N ASN A 82 -21.033 -23.360 9.143 1.00 74.43 N ATOM 1180 CA ASN A 82 -22.227 -23.913 8.513 1.00 14.03 C ATOM 1181 C ASN A 82 -22.025 -25.384 8.161 1.00 55.52 C ATOM 1182 O ASN A 82 -22.988 -26.141 8.031 1.00 40.33 O ATOM 1183 CB ASN A 82 -22.579 -23.119 7.254 1.00 54.31 C ATOM 1184 CG ASN A 82 -23.524 -23.874 6.339 1.00 21.11 C ATOM 1185 OD1 ASN A 82 -24.579 -24.342 6.768 1.00 60.15 O ATOM 1186 ND2 ASN A 82 -23.148 -23.997 5.071 1.00 1.44 N ATOM 0 H ASN A 82 -20.470 -22.767 8.533 1.00 74.43 H new ATOM 0 HA ASN A 82 -23.050 -23.838 9.223 1.00 14.03 H new ATOM 0 HB2 ASN A 82 -23.035 -22.172 7.541 1.00 54.31 H new ATOM 0 HB3 ASN A 82 -21.665 -22.881 6.711 1.00 54.31 H new ATOM 0 HD21 ASN A 82 -23.742 -24.496 4.409 1.00 1.44 H new ATOM 0 HD22 ASN A 82 -22.265 -23.593 4.759 1.00 1.44 H new ATOM 1193 N THR A 83 -20.766 -25.782 8.008 1.00 75.52 N ATOM 1194 CA THR A 83 -20.437 -27.161 7.670 1.00 33.40 C ATOM 1195 C THR A 83 -20.425 -28.044 8.913 1.00 42.01 C ATOM 1196 O THR A 83 -20.979 -29.143 8.911 1.00 62.44 O ATOM 1197 CB THR A 83 -19.067 -27.257 6.972 1.00 34.33 C ATOM 1198 OG1 THR A 83 -19.223 -27.074 5.561 1.00 44.33 O ATOM 1199 CG2 THR A 83 -18.414 -28.604 7.245 1.00 54.11 C ATOM 0 H THR A 83 -19.958 -25.169 8.113 1.00 75.52 H new ATOM 0 HA THR A 83 -21.210 -27.512 6.986 1.00 33.40 H new ATOM 0 HB THR A 83 -18.424 -26.472 7.371 1.00 34.33 H new ATOM 0 HG1 THR A 83 -18.348 -27.135 5.125 1.00 44.33 H new ATOM 0 HG21 THR A 83 -17.448 -28.649 6.742 1.00 54.11 H new ATOM 0 HG22 THR A 83 -18.270 -28.728 8.318 1.00 54.11 H new ATOM 0 HG23 THR A 83 -19.055 -29.402 6.870 1.00 54.11 H new ATOM 1207 N ARG A 84 -19.790 -27.555 9.973 1.00 31.45 N ATOM 1208 CA ARG A 84 -19.705 -28.301 11.224 1.00 55.25 C ATOM 1209 C ARG A 84 -21.073 -28.393 11.895 1.00 25.21 C ATOM 1210 O ARG A 84 -21.383 -29.380 12.563 1.00 0.21 O ATOM 1211 CB ARG A 84 -18.704 -27.638 12.171 1.00 42.43 C ATOM 1212 CG ARG A 84 -17.253 -27.886 11.794 1.00 65.23 C ATOM 1213 CD ARG A 84 -16.555 -28.770 12.816 1.00 71.22 C ATOM 1214 NE ARG A 84 -16.425 -28.110 14.112 1.00 20.31 N ATOM 1215 CZ ARG A 84 -15.560 -28.490 15.046 1.00 12.34 C ATOM 1216 NH1 ARG A 84 -14.753 -29.519 14.829 1.00 52.13 N ATOM 1217 NH2 ARG A 84 -15.501 -27.839 16.201 1.00 12.31 N ATOM 0 H ARG A 84 -19.327 -26.646 9.991 1.00 31.45 H new ATOM 0 HA ARG A 84 -19.363 -29.310 10.994 1.00 55.25 H new ATOM 0 HB2 ARG A 84 -18.888 -26.564 12.187 1.00 42.43 H new ATOM 0 HB3 ARG A 84 -18.876 -28.005 13.183 1.00 42.43 H new ATOM 0 HG2 ARG A 84 -17.206 -28.357 10.812 1.00 65.23 H new ATOM 0 HG3 ARG A 84 -16.728 -26.934 11.716 1.00 65.23 H new ATOM 0 HD2 ARG A 84 -17.115 -29.697 12.936 1.00 71.22 H new ATOM 0 HD3 ARG A 84 -15.566 -29.041 12.446 1.00 71.22 H new ATOM 0 HE ARG A 84 -17.031 -27.314 14.311 1.00 20.31 H new ATOM 0 HH11 ARG A 84 -14.795 -30.022 13.943 1.00 52.13 H new ATOM 0 HH12 ARG A 84 -14.090 -29.808 15.548 1.00 52.13 H new ATOM 0 HH21 ARG A 84 -16.120 -27.047 16.372 1.00 12.31 H new ATOM 0 HH22 ARG A 84 -14.837 -28.131 16.918 1.00 12.31 H new ATOM 1231 N LYS A 85 -21.886 -27.359 11.714 1.00 51.43 N ATOM 1232 CA LYS A 85 -23.220 -27.322 12.301 1.00 54.35 C ATOM 1233 C LYS A 85 -24.209 -28.116 11.454 1.00 74.34 C ATOM 1234 O LYS A 85 -25.217 -28.610 11.959 1.00 42.44 O ATOM 1235 CB LYS A 85 -23.699 -25.875 12.440 1.00 50.24 C ATOM 1236 CG LYS A 85 -24.162 -25.259 11.131 1.00 52.13 C ATOM 1237 CD LYS A 85 -25.668 -25.377 10.961 1.00 44.22 C ATOM 1238 CE LYS A 85 -26.246 -24.161 10.254 1.00 43.52 C ATOM 1239 NZ LYS A 85 -27.635 -24.404 9.777 1.00 33.34 N ATOM 0 H LYS A 85 -21.644 -26.534 11.165 1.00 51.43 H new ATOM 0 HA LYS A 85 -23.167 -27.777 13.290 1.00 54.35 H new ATOM 0 HB2 LYS A 85 -24.518 -25.840 13.158 1.00 50.24 H new ATOM 0 HB3 LYS A 85 -22.890 -25.271 12.850 1.00 50.24 H new ATOM 0 HG2 LYS A 85 -23.873 -24.209 11.100 1.00 52.13 H new ATOM 0 HG3 LYS A 85 -23.661 -25.753 10.298 1.00 52.13 H new ATOM 0 HD2 LYS A 85 -25.901 -26.276 10.391 1.00 44.22 H new ATOM 0 HD3 LYS A 85 -26.138 -25.489 11.938 1.00 44.22 H new ATOM 0 HE2 LYS A 85 -26.239 -23.309 10.934 1.00 43.52 H new ATOM 0 HE3 LYS A 85 -25.612 -23.898 9.407 1.00 43.52 H new ATOM 0 HZ1 LYS A 85 -27.993 -23.551 9.301 1.00 33.34 H new ATOM 0 HZ2 LYS A 85 -27.638 -25.201 9.109 1.00 33.34 H new ATOM 0 HZ3 LYS A 85 -28.246 -24.630 10.588 1.00 33.34 H new ATOM 1253 N ASN A 86 -23.913 -28.237 10.163 1.00 15.15 N ATOM 1254 CA ASN A 86 -24.777 -28.973 9.247 1.00 43.32 C ATOM 1255 C ASN A 86 -24.963 -30.413 9.713 1.00 30.33 C ATOM 1256 O ASN A 86 -26.055 -30.972 9.616 1.00 53.31 O ATOM 1257 CB ASN A 86 -24.189 -28.954 7.834 1.00 32.22 C ATOM 1258 CG ASN A 86 -24.825 -29.992 6.930 1.00 70.30 C ATOM 1259 OD1 ASN A 86 -24.453 -31.165 6.955 1.00 25.53 O ATOM 1260 ND2 ASN A 86 -25.790 -29.564 6.125 1.00 51.14 N ATOM 0 H ASN A 86 -23.082 -27.835 9.728 1.00 15.15 H new ATOM 0 HA ASN A 86 -25.752 -28.486 9.235 1.00 43.32 H new ATOM 0 HB2 ASN A 86 -24.327 -27.964 7.399 1.00 32.22 H new ATOM 0 HB3 ASN A 86 -23.115 -29.132 7.888 1.00 32.22 H new ATOM 0 HD21 ASN A 86 -26.255 -30.217 5.494 1.00 51.14 H new ATOM 0 HD22 ASN A 86 -26.067 -28.582 6.137 1.00 51.14 H new ATOM 1267 N ALA A 87 -23.889 -31.009 10.221 1.00 43.23 N ATOM 1268 CA ALA A 87 -23.934 -32.383 10.705 1.00 40.12 C ATOM 1269 C ALA A 87 -24.701 -32.477 12.019 1.00 12.13 C ATOM 1270 O ALA A 87 -25.438 -33.435 12.253 1.00 62.32 O ATOM 1271 CB ALA A 87 -22.524 -32.930 10.874 1.00 12.41 C ATOM 0 H ALA A 87 -22.977 -30.561 10.308 1.00 43.23 H new ATOM 0 HA ALA A 87 -24.459 -32.986 9.964 1.00 40.12 H new ATOM 0 HB1 ALA A 87 -22.573 -33.957 11.236 1.00 12.41 H new ATOM 0 HB2 ALA A 87 -22.008 -32.908 9.914 1.00 12.41 H new ATOM 0 HB3 ALA A 87 -21.980 -32.318 11.593 1.00 12.41 H new ATOM 1277 N VAL A 88 -24.523 -31.476 12.876 1.00 73.11 N ATOM 1278 CA VAL A 88 -25.199 -31.446 14.167 1.00 13.24 C ATOM 1279 C VAL A 88 -26.706 -31.286 13.995 1.00 23.55 C ATOM 1280 O VAL A 88 -27.493 -31.995 14.625 1.00 44.24 O ATOM 1281 CB VAL A 88 -24.671 -30.300 15.051 1.00 25.40 C ATOM 1282 CG1 VAL A 88 -25.384 -30.289 16.394 1.00 23.45 C ATOM 1283 CG2 VAL A 88 -23.166 -30.423 15.238 1.00 61.42 C ATOM 0 H VAL A 88 -23.916 -30.675 12.699 1.00 73.11 H new ATOM 0 HA VAL A 88 -24.990 -32.398 14.655 1.00 13.24 H new ATOM 0 HB VAL A 88 -24.876 -29.354 14.551 1.00 25.40 H new ATOM 0 HG11 VAL A 88 -24.998 -29.473 17.004 1.00 23.45 H new ATOM 0 HG12 VAL A 88 -26.454 -30.150 16.237 1.00 23.45 H new ATOM 0 HG13 VAL A 88 -25.213 -31.237 16.905 1.00 23.45 H new ATOM 0 HG21 VAL A 88 -22.809 -29.606 15.865 1.00 61.42 H new ATOM 0 HG22 VAL A 88 -22.935 -31.375 15.717 1.00 61.42 H new ATOM 0 HG23 VAL A 88 -22.674 -30.377 14.267 1.00 61.42 H new ATOM 1293 N THR A 89 -27.102 -30.351 13.138 1.00 35.01 N ATOM 1294 CA THR A 89 -28.515 -30.097 12.883 1.00 22.41 C ATOM 1295 C THR A 89 -29.125 -31.199 12.024 1.00 43.24 C ATOM 1296 O THR A 89 -30.318 -31.483 12.118 1.00 73.32 O ATOM 1297 CB THR A 89 -28.725 -28.741 12.184 1.00 2.12 C ATOM 1298 OG1 THR A 89 -30.124 -28.480 12.032 1.00 54.15 O ATOM 1299 CG2 THR A 89 -28.049 -28.724 10.821 1.00 1.04 C ATOM 0 H THR A 89 -26.464 -29.757 12.608 1.00 35.01 H new ATOM 0 HA THR A 89 -29.013 -30.078 13.852 1.00 22.41 H new ATOM 0 HB THR A 89 -28.276 -27.964 12.804 1.00 2.12 H new ATOM 0 HG1 THR A 89 -30.249 -27.615 11.588 1.00 54.15 H new ATOM 0 HG21 THR A 89 -28.211 -27.756 10.346 1.00 1.04 H new ATOM 0 HG22 THR A 89 -26.979 -28.894 10.943 1.00 1.04 H new ATOM 0 HG23 THR A 89 -28.472 -29.510 10.195 1.00 1.04 H new ATOM 1307 N ALA A 90 -28.298 -31.816 11.186 1.00 4.02 N ATOM 1308 CA ALA A 90 -28.756 -32.888 10.312 1.00 63.51 C ATOM 1309 C ALA A 90 -29.497 -33.962 11.102 1.00 53.33 C ATOM 1310 O ALA A 90 -30.687 -34.194 10.885 1.00 33.22 O ATOM 1311 CB ALA A 90 -27.579 -33.499 9.564 1.00 14.24 C ATOM 0 H ALA A 90 -27.307 -31.591 11.094 1.00 4.02 H new ATOM 0 HA ALA A 90 -29.451 -32.461 9.589 1.00 63.51 H new ATOM 0 HB1 ALA A 90 -27.936 -34.299 8.915 1.00 14.24 H new ATOM 0 HB2 ALA A 90 -27.093 -32.732 8.961 1.00 14.24 H new ATOM 0 HB3 ALA A 90 -26.864 -33.905 10.280 1.00 14.24 H new TER 1317 ALA A 90