USER MOD reduce.3.24.130724 H: found=0, std=0, add=955, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 958 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 119 CYS SG : rot 110:sc= -0.806 USER MOD Set 1.2: A 127 ASN : amide:sc= -1.44 K(o=-2.2,f=-6.5!) USER MOD Set 2.1: A 64 ASN : amide:sc= -0.047 K(o=-0.53,f=-5) USER MOD Set 2.2: A 74 MET CE :methyl -153:sc= -0.486 (180deg=-1.11) USER MOD Set 3.1: A 62 ASN : amide:sc= -0.728 X(o=-0.42,f=-0.6) USER MOD Set 3.2: A 76 SER OG : rot -63:sc= 0.309 USER MOD Set 4.1: A 58 TYR OH : rot -55:sc= 0.454 USER MOD Set 4.2: A 60 THR OG1 : rot 69:sc= 0.414 USER MOD Single : A 9 GLN : amide:sc= 0.472 K(o=0.47,f=-0.6) USER MOD Single : A 13 GLN :FLIP amide:sc= -1.15 F(o=-1.8,f=-1.2) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -106:sc= -0.378 (180deg=-4.44!) USER MOD Single : A 28 ASN :FLIP amide:sc= 0.658 F(o=-0.17,f=0.66) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 GLN : amide:sc= -0.409 K(o=-0.41,f=-1.1) USER MOD Single : A 42 LYS NZ :NH3+ -162:sc=-0.00404 (180deg=-0.14) USER MOD Single : A 44 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -166:sc= 0.696 (180deg=0.405) USER MOD Single : A 63 MET CE :methyl -162:sc= -2.26 (180deg=-2.46) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl -119:sc= -2.55 (180deg=-4.88!) USER MOD Single : A 79 CYS SG : rot 48:sc= -0.863 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 150:sc= -0.376 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -0.0937 K(o=-0.094,f=-1.7) USER MOD Single : A 104 GLN : amide:sc= -3.71! C(o=-3.7!,f=-4!) USER MOD Single : A 105 THR OG1 : rot 77:sc= 0.287 USER MOD Single : A 106 GLN : amide:sc= -0.407 X(o=-0.41,f=-0.06) USER MOD Single : A 108 ASN : amide:sc= 0.664 K(o=0.66,f=-6.9!) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 GLN : amide:sc= -0.469 X(o=-0.47,f=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 HIS : no HD1:sc= -1.56 X(o=-1.6,f=-1.3) USER MOD Single : A 120 HIS : no HD1:sc= -0.122 X(o=-0.12,f=0) USER MOD Single : A 124 CYS SG : rot 23:sc= 0.697 USER MOD Single : A 129 THR OG1 : rot -32:sc= 1.17 USER MOD Single : A 135 HIS : no HD1:sc= -5.9 X(o=-5.9,f=-5.6) USER MOD Single : A 137 SER OG : rot -123:sc= 0.00187 USER MOD Single : A 139 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 -2.681 22.432 4.590 1.00 0.00 N ATOM 67 CA GLU A 8 -2.425 21.216 5.353 1.00 0.00 C ATOM 68 C GLU A 8 -2.502 19.985 4.455 1.00 0.00 C ATOM 69 O GLU A 8 -1.771 19.014 4.652 1.00 0.00 O ATOM 70 CB GLU A 8 -3.428 21.087 6.501 1.00 0.00 C ATOM 71 CG GLU A 8 -4.876 21.047 6.042 1.00 0.00 C ATOM 72 CD GLU A 8 -5.849 21.414 7.147 1.00 0.00 C ATOM 73 OE1 GLU A 8 -5.610 22.428 7.835 1.00 0.00 O ATOM 74 OE2 GLU A 8 -6.849 20.686 7.322 1.00 0.00 O ATOM 0 HA GLU A 8 -1.418 21.281 5.766 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.209 20.180 7.064 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.295 21.926 7.184 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -5.007 21.733 5.205 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.109 20.048 5.675 1.00 0.00 H new ATOM 81 N GLN A 9 -3.393 20.033 3.469 1.00 0.00 N ATOM 82 CA GLN A 9 -3.566 18.921 2.542 1.00 0.00 C ATOM 83 C GLN A 9 -2.217 18.343 2.126 1.00 0.00 C ATOM 84 O GLN A 9 -1.986 17.140 2.239 1.00 0.00 O ATOM 85 CB GLN A 9 -4.342 19.377 1.305 1.00 0.00 C ATOM 86 CG GLN A 9 -4.950 18.232 0.511 1.00 0.00 C ATOM 87 CD GLN A 9 -6.076 18.685 -0.396 1.00 0.00 C ATOM 88 OE1 GLN A 9 -6.173 19.861 -0.746 1.00 0.00 O ATOM 89 NE2 GLN A 9 -6.937 17.750 -0.783 1.00 0.00 N ATOM 0 H GLN A 9 -4.005 20.829 3.292 1.00 0.00 H new ATOM 0 HA GLN A 9 -4.133 18.142 3.051 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -5.137 20.055 1.615 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -3.674 19.944 0.656 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -4.173 17.758 -0.089 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -5.326 17.476 1.200 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -6.819 16.787 -0.469 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -7.716 17.995 -1.394 1.00 0.00 H new ATOM 98 N ALA A 10 -1.331 19.209 1.646 1.00 0.00 N ATOM 99 CA ALA A 10 -0.004 18.785 1.216 1.00 0.00 C ATOM 100 C ALA A 10 0.688 17.965 2.299 1.00 0.00 C ATOM 101 O ALA A 10 1.194 16.875 2.036 1.00 0.00 O ATOM 102 CB ALA A 10 0.841 19.994 0.844 1.00 0.00 C ATOM 0 H ALA A 10 -1.508 20.208 1.545 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.119 18.152 0.336 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.829 19.663 0.525 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.360 20.538 0.031 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.940 20.649 1.710 1.00 0.00 H new ATOM 108 N GLU A 11 0.707 18.498 3.517 1.00 0.00 N ATOM 109 CA GLU A 11 1.340 17.815 4.639 1.00 0.00 C ATOM 110 C GLU A 11 0.656 16.480 4.919 1.00 0.00 C ATOM 111 O GLU A 11 1.314 15.481 5.206 1.00 0.00 O ATOM 112 CB GLU A 11 1.298 18.695 5.890 1.00 0.00 C ATOM 113 CG GLU A 11 1.861 20.089 5.672 1.00 0.00 C ATOM 114 CD GLU A 11 2.143 20.814 6.974 1.00 0.00 C ATOM 115 OE1 GLU A 11 2.687 20.179 7.901 1.00 0.00 O ATOM 116 OE2 GLU A 11 1.818 22.017 7.065 1.00 0.00 O ATOM 0 H GLU A 11 0.292 19.400 3.751 1.00 0.00 H new ATOM 0 HA GLU A 11 2.380 17.622 4.374 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.266 18.778 6.231 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.859 18.206 6.687 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.782 20.019 5.093 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.156 20.673 5.080 1.00 0.00 H new ATOM 123 N ALA A 12 -0.671 16.472 4.834 1.00 0.00 N ATOM 124 CA ALA A 12 -1.445 15.262 5.077 1.00 0.00 C ATOM 125 C ALA A 12 -0.837 14.066 4.351 1.00 0.00 C ATOM 126 O ALA A 12 -0.744 12.973 4.908 1.00 0.00 O ATOM 127 CB ALA A 12 -2.890 15.464 4.645 1.00 0.00 C ATOM 0 H ALA A 12 -1.232 17.291 4.598 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.422 15.055 6.147 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.457 14.552 4.832 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.328 16.286 5.212 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.922 15.699 3.581 1.00 0.00 H new ATOM 133 N GLN A 13 -0.424 14.283 3.106 1.00 0.00 N ATOM 134 CA GLN A 13 0.174 13.222 2.305 1.00 0.00 C ATOM 135 C GLN A 13 1.642 13.026 2.669 1.00 0.00 C ATOM 136 O GLN A 13 2.088 11.904 2.912 1.00 0.00 O ATOM 137 CB GLN A 13 0.045 13.544 0.815 1.00 0.00 C ATOM 138 CG GLN A 13 -1.353 13.318 0.263 1.00 0.00 C ATOM 139 CD GLN A 13 -1.644 14.171 -0.956 1.00 0.00 C ATOM 140 OE1 GLN A 13 -2.335 13.594 -1.932 1.00 0.00 O flip ATOM 141 NE2 GLN A 13 -1.252 15.337 -1.020 1.00 0.00 N flip ATOM 0 H GLN A 13 -0.493 15.183 2.631 1.00 0.00 H new ATOM 0 HA GLN A 13 -0.361 12.296 2.517 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.328 14.584 0.651 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.751 12.929 0.256 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -1.471 12.266 0.002 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -2.086 13.538 1.039 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.724 15.741 -0.246 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.456 15.899 -1.847 1.00 0.00 H new ATOM 150 N LEU A 14 2.389 14.124 2.706 1.00 0.00 N ATOM 151 CA LEU A 14 3.808 14.073 3.040 1.00 0.00 C ATOM 152 C LEU A 14 4.029 13.357 4.369 1.00 0.00 C ATOM 153 O LEU A 14 4.679 12.314 4.422 1.00 0.00 O ATOM 154 CB LEU A 14 4.387 15.487 3.108 1.00 0.00 C ATOM 155 CG LEU A 14 5.740 15.626 3.807 1.00 0.00 C ATOM 156 CD1 LEU A 14 6.839 14.984 2.975 1.00 0.00 C ATOM 157 CD2 LEU A 14 6.056 17.091 4.071 1.00 0.00 C ATOM 0 H LEU A 14 2.036 15.060 2.509 1.00 0.00 H new ATOM 0 HA LEU A 14 4.320 13.514 2.257 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.485 15.867 2.091 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.669 16.128 3.620 1.00 0.00 H new ATOM 0 HG LEU A 14 5.687 15.108 4.765 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.794 15.093 3.488 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.620 13.925 2.837 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.892 15.473 2.002 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.022 17.171 4.569 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.089 17.632 3.125 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.283 17.521 4.708 1.00 0.00 H new ATOM 169 N ALA A 15 3.481 13.924 5.439 1.00 0.00 N ATOM 170 CA ALA A 15 3.615 13.338 6.767 1.00 0.00 C ATOM 171 C ALA A 15 3.616 11.814 6.697 1.00 0.00 C ATOM 172 O ALA A 15 4.517 11.161 7.220 1.00 0.00 O ATOM 173 CB ALA A 15 2.495 13.825 7.674 1.00 0.00 C ATOM 0 H ALA A 15 2.940 14.788 5.412 1.00 0.00 H new ATOM 0 HA ALA A 15 4.570 13.658 7.183 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.608 13.379 8.662 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.541 14.911 7.758 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.533 13.534 7.252 1.00 0.00 H new ATOM 179 N GLU A 16 2.600 11.256 6.047 1.00 0.00 N ATOM 180 CA GLU A 16 2.484 9.808 5.910 1.00 0.00 C ATOM 181 C GLU A 16 3.726 9.224 5.243 1.00 0.00 C ATOM 182 O GLU A 16 4.410 8.374 5.815 1.00 0.00 O ATOM 183 CB GLU A 16 1.238 9.448 5.098 1.00 0.00 C ATOM 184 CG GLU A 16 0.628 8.110 5.481 1.00 0.00 C ATOM 185 CD GLU A 16 -0.873 8.071 5.268 1.00 0.00 C ATOM 186 OE1 GLU A 16 -1.329 8.481 4.180 1.00 0.00 O ATOM 187 OE2 GLU A 16 -1.591 7.629 6.189 1.00 0.00 O ATOM 0 H GLU A 16 1.846 11.783 5.607 1.00 0.00 H new ATOM 0 HA GLU A 16 2.394 9.380 6.908 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.490 10.230 5.230 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.497 9.430 4.039 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.095 7.320 4.893 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.848 7.901 6.528 1.00 0.00 H new ATOM 194 N LEU A 17 4.010 9.685 4.030 1.00 0.00 N ATOM 195 CA LEU A 17 5.169 9.208 3.283 1.00 0.00 C ATOM 196 C LEU A 17 6.409 9.167 4.170 1.00 0.00 C ATOM 197 O LEU A 17 7.020 8.113 4.353 1.00 0.00 O ATOM 198 CB LEU A 17 5.424 10.106 2.071 1.00 0.00 C ATOM 199 CG LEU A 17 4.328 10.123 1.006 1.00 0.00 C ATOM 200 CD1 LEU A 17 4.461 11.354 0.122 1.00 0.00 C ATOM 201 CD2 LEU A 17 4.380 8.854 0.167 1.00 0.00 C ATOM 0 H LEU A 17 3.454 10.388 3.543 1.00 0.00 H new ATOM 0 HA LEU A 17 4.957 8.196 2.939 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.575 11.126 2.425 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.355 9.791 1.600 1.00 0.00 H new ATOM 0 HG LEU A 17 3.361 10.164 1.508 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.672 11.349 -0.630 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.373 12.252 0.733 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.433 11.344 -0.371 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.593 8.883 -0.586 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.350 8.782 -0.325 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.235 7.986 0.810 1.00 0.00 H new ATOM 213 N ASP A 18 6.775 10.319 4.720 1.00 0.00 N ATOM 214 CA ASP A 18 7.941 10.415 5.592 1.00 0.00 C ATOM 215 C ASP A 18 7.939 9.294 6.626 1.00 0.00 C ATOM 216 O ASP A 18 8.981 8.706 6.922 1.00 0.00 O ATOM 217 CB ASP A 18 7.969 11.773 6.294 1.00 0.00 C ATOM 218 CG ASP A 18 9.248 11.992 7.079 1.00 0.00 C ATOM 219 OD1 ASP A 18 10.301 11.470 6.657 1.00 0.00 O ATOM 220 OD2 ASP A 18 9.195 12.687 8.115 1.00 0.00 O ATOM 0 H ASP A 18 6.281 11.200 4.578 1.00 0.00 H new ATOM 0 HA ASP A 18 8.834 10.315 4.976 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.861 12.565 5.552 1.00 0.00 H new ATOM 0 HB3 ASP A 18 7.115 11.848 6.967 1.00 0.00 H new ATOM 225 N LEU A 19 6.764 9.002 7.173 1.00 0.00 N ATOM 226 CA LEU A 19 6.627 7.952 8.176 1.00 0.00 C ATOM 227 C LEU A 19 6.835 6.575 7.554 1.00 0.00 C ATOM 228 O LEU A 19 7.604 5.760 8.066 1.00 0.00 O ATOM 229 CB LEU A 19 5.248 8.025 8.834 1.00 0.00 C ATOM 230 CG LEU A 19 4.790 6.767 9.574 1.00 0.00 C ATOM 231 CD1 LEU A 19 5.743 6.443 10.714 1.00 0.00 C ATOM 232 CD2 LEU A 19 3.371 6.942 10.096 1.00 0.00 C ATOM 0 H LEU A 19 5.893 9.478 6.939 1.00 0.00 H new ATOM 0 HA LEU A 19 7.393 8.106 8.936 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.247 8.857 9.538 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.512 8.258 8.064 1.00 0.00 H new ATOM 0 HG LEU A 19 4.797 5.933 8.873 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.402 5.545 11.229 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.743 6.274 10.315 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.768 7.277 11.416 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.062 6.037 10.620 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.338 7.788 10.782 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.696 7.126 9.260 1.00 0.00 H new ATOM 244 N LEU A 20 6.146 6.322 6.447 1.00 0.00 N ATOM 245 CA LEU A 20 6.256 5.043 5.753 1.00 0.00 C ATOM 246 C LEU A 20 7.718 4.667 5.533 1.00 0.00 C ATOM 247 O LEU A 20 8.180 3.631 6.009 1.00 0.00 O ATOM 248 CB LEU A 20 5.526 5.106 4.410 1.00 0.00 C ATOM 249 CG LEU A 20 4.003 4.992 4.467 1.00 0.00 C ATOM 250 CD1 LEU A 20 3.383 5.456 3.159 1.00 0.00 C ATOM 251 CD2 LEU A 20 3.586 3.562 4.780 1.00 0.00 C ATOM 0 H LEU A 20 5.505 6.985 6.011 1.00 0.00 H new ATOM 0 HA LEU A 20 5.793 4.278 6.376 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.782 6.048 3.924 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.906 4.306 3.775 1.00 0.00 H new ATOM 0 HG LEU A 20 3.640 5.638 5.266 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.298 5.367 3.219 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.653 6.496 2.977 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.753 4.837 2.341 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.498 3.500 4.817 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.962 2.895 4.004 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.999 3.265 5.744 1.00 0.00 H new ATOM 263 N ALA A 21 8.440 5.517 4.811 1.00 0.00 N ATOM 264 CA ALA A 21 9.850 5.276 4.532 1.00 0.00 C ATOM 265 C ALA A 21 10.537 4.604 5.717 1.00 0.00 C ATOM 266 O ALA A 21 11.264 3.625 5.551 1.00 0.00 O ATOM 267 CB ALA A 21 10.551 6.581 4.185 1.00 0.00 C ATOM 0 H ALA A 21 8.072 6.379 4.409 1.00 0.00 H new ATOM 0 HA ALA A 21 9.915 4.603 3.677 1.00 0.00 H new ATOM 0 HB1 ALA A 21 11.603 6.385 3.979 1.00 0.00 H new ATOM 0 HB2 ALA A 21 10.085 7.021 3.304 1.00 0.00 H new ATOM 0 HB3 ALA A 21 10.468 7.273 5.023 1.00 0.00 H new ATOM 273 N SER A 22 10.302 5.137 6.911 1.00 0.00 N ATOM 274 CA SER A 22 10.902 4.592 8.124 1.00 0.00 C ATOM 275 C SER A 22 10.213 3.294 8.534 1.00 0.00 C ATOM 276 O SER A 22 10.870 2.310 8.872 1.00 0.00 O ATOM 277 CB SER A 22 10.817 5.610 9.263 1.00 0.00 C ATOM 278 OG SER A 22 11.586 6.765 8.973 1.00 0.00 O ATOM 0 H SER A 22 9.700 5.946 7.065 1.00 0.00 H new ATOM 0 HA SER A 22 11.950 4.377 7.917 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.777 5.893 9.425 1.00 0.00 H new ATOM 0 HB3 SER A 22 11.172 5.156 10.188 1.00 0.00 H new ATOM 0 HG SER A 22 11.514 7.401 9.715 1.00 0.00 H new ATOM 284 N MET A 23 8.884 3.301 8.501 1.00 0.00 N ATOM 285 CA MET A 23 8.105 2.124 8.869 1.00 0.00 C ATOM 286 C MET A 23 8.674 0.869 8.214 1.00 0.00 C ATOM 287 O MET A 23 8.714 -0.198 8.826 1.00 0.00 O ATOM 288 CB MET A 23 6.642 2.307 8.461 1.00 0.00 C ATOM 289 CG MET A 23 5.882 3.283 9.345 1.00 0.00 C ATOM 290 SD MET A 23 5.740 2.710 11.049 1.00 0.00 S ATOM 291 CE MET A 23 4.401 1.529 10.899 1.00 0.00 C ATOM 0 H MET A 23 8.325 4.108 8.224 1.00 0.00 H new ATOM 0 HA MET A 23 8.161 2.005 9.951 1.00 0.00 H new ATOM 0 HB2 MET A 23 6.602 2.657 7.429 1.00 0.00 H new ATOM 0 HB3 MET A 23 6.142 1.339 8.489 1.00 0.00 H new ATOM 0 HG2 MET A 23 6.387 4.249 9.331 1.00 0.00 H new ATOM 0 HG3 MET A 23 4.885 3.439 8.934 1.00 0.00 H new ATOM 0 HE1 MET A 23 3.494 1.950 11.332 1.00 0.00 H new ATOM 0 HE2 MET A 23 4.230 1.305 9.846 1.00 0.00 H new ATOM 0 HE3 MET A 23 4.663 0.612 11.427 1.00 0.00 H new ATOM 301 N PHE A 24 9.113 1.005 6.967 1.00 0.00 N ATOM 302 CA PHE A 24 9.679 -0.119 6.229 1.00 0.00 C ATOM 303 C PHE A 24 11.187 0.042 6.066 1.00 0.00 C ATOM 304 O PHE A 24 11.683 0.447 5.014 1.00 0.00 O ATOM 305 CB PHE A 24 9.015 -0.240 4.856 1.00 0.00 C ATOM 306 CG PHE A 24 7.529 -0.446 4.924 1.00 0.00 C ATOM 307 CD1 PHE A 24 6.682 0.613 5.209 1.00 0.00 C ATOM 308 CD2 PHE A 24 6.979 -1.699 4.703 1.00 0.00 C ATOM 309 CE1 PHE A 24 5.314 0.426 5.273 1.00 0.00 C ATOM 310 CE2 PHE A 24 5.612 -1.892 4.766 1.00 0.00 C ATOM 311 CZ PHE A 24 4.778 -0.828 5.050 1.00 0.00 C ATOM 0 H PHE A 24 9.088 1.882 6.446 1.00 0.00 H new ATOM 0 HA PHE A 24 9.489 -1.029 6.798 1.00 0.00 H new ATOM 0 HB2 PHE A 24 9.223 0.662 4.280 1.00 0.00 H new ATOM 0 HB3 PHE A 24 9.465 -1.073 4.316 1.00 0.00 H new ATOM 0 HD1 PHE A 24 7.095 1.595 5.383 1.00 0.00 H new ATOM 0 HD2 PHE A 24 7.626 -2.534 4.479 1.00 0.00 H new ATOM 0 HE1 PHE A 24 4.665 1.259 5.497 1.00 0.00 H new ATOM 0 HE2 PHE A 24 5.196 -2.874 4.593 1.00 0.00 H new ATOM 0 HZ PHE A 24 3.709 -0.976 5.098 1.00 0.00 H new ATOM 357 N ASN A 28 14.295 -4.345 0.734 1.00 0.00 N ATOM 358 CA ASN A 28 13.372 -4.507 -0.383 1.00 0.00 C ATOM 359 C ASN A 28 11.930 -4.586 0.111 1.00 0.00 C ATOM 360 O ASN A 28 11.188 -5.496 -0.257 1.00 0.00 O ATOM 361 CB ASN A 28 13.719 -5.766 -1.180 1.00 0.00 C ATOM 362 CG ASN A 28 13.839 -6.994 -0.299 1.00 0.00 C ATOM 363 OD1 ASN A 28 15.071 -7.405 -0.021 1.00 0.00 O flip ATOM 364 ND2 ASN A 28 12.836 -7.566 0.127 1.00 0.00 N flip ATOM 0 HA ASN A 28 13.469 -3.636 -1.032 1.00 0.00 H new ATOM 0 HB2 ASN A 28 12.952 -5.938 -1.935 1.00 0.00 H new ATOM 0 HB3 ASN A 28 14.658 -5.610 -1.710 1.00 0.00 H new ATOM 0 HD21 ASN A 28 11.909 -7.215 -0.112 1.00 0.00 H new ATOM 0 HD22 ASN A 28 12.932 -8.391 0.719 1.00 0.00 H new ATOM 371 N GLU A 29 11.542 -3.626 0.944 1.00 0.00 N ATOM 372 CA GLU A 29 10.189 -3.588 1.487 1.00 0.00 C ATOM 373 C GLU A 29 9.341 -2.547 0.763 1.00 0.00 C ATOM 374 O GLU A 29 8.152 -2.758 0.520 1.00 0.00 O ATOM 375 CB GLU A 29 10.226 -3.279 2.985 1.00 0.00 C ATOM 376 CG GLU A 29 10.363 -4.515 3.859 1.00 0.00 C ATOM 377 CD GLU A 29 9.173 -5.447 3.743 1.00 0.00 C ATOM 378 OE1 GLU A 29 9.077 -6.161 2.723 1.00 0.00 O ATOM 379 OE2 GLU A 29 8.338 -5.461 4.671 1.00 0.00 O ATOM 0 H GLU A 29 12.144 -2.865 1.257 1.00 0.00 H new ATOM 0 HA GLU A 29 9.737 -4.568 1.336 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.060 -2.607 3.188 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.314 -2.749 3.261 1.00 0.00 H new ATOM 0 HG2 GLU A 29 11.269 -5.053 3.581 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.480 -4.209 4.899 1.00 0.00 H new ATOM 386 N LEU A 30 9.960 -1.423 0.421 1.00 0.00 N ATOM 387 CA LEU A 30 9.263 -0.347 -0.276 1.00 0.00 C ATOM 388 C LEU A 30 10.188 0.347 -1.270 1.00 0.00 C ATOM 389 O LEU A 30 11.390 0.471 -1.032 1.00 0.00 O ATOM 390 CB LEU A 30 8.720 0.670 0.729 1.00 0.00 C ATOM 391 CG LEU A 30 8.477 2.081 0.191 1.00 0.00 C ATOM 392 CD1 LEU A 30 7.436 2.802 1.034 1.00 0.00 C ATOM 393 CD2 LEU A 30 9.778 2.870 0.157 1.00 0.00 C ATOM 0 H LEU A 30 10.943 -1.232 0.615 1.00 0.00 H new ATOM 0 HA LEU A 30 8.430 -0.784 -0.827 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.781 0.289 1.130 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.419 0.736 1.563 1.00 0.00 H new ATOM 0 HG LEU A 30 8.097 2.000 -0.828 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.276 3.804 0.636 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.498 2.247 1.007 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.787 2.872 2.064 1.00 0.00 H new ATOM 0 HD21 LEU A 30 9.586 3.871 -0.228 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.187 2.941 1.165 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.494 2.363 -0.490 1.00 0.00 H new ATOM 405 N ILE A 31 9.620 0.800 -2.383 1.00 0.00 N ATOM 406 CA ILE A 31 10.394 1.485 -3.411 1.00 0.00 C ATOM 407 C ILE A 31 9.593 2.622 -4.035 1.00 0.00 C ATOM 408 O ILE A 31 8.491 2.415 -4.543 1.00 0.00 O ATOM 409 CB ILE A 31 10.837 0.514 -4.522 1.00 0.00 C ATOM 410 CG1 ILE A 31 11.651 -0.637 -3.928 1.00 0.00 C ATOM 411 CG2 ILE A 31 11.646 1.252 -5.578 1.00 0.00 C ATOM 412 CD1 ILE A 31 10.807 -1.819 -3.505 1.00 0.00 C ATOM 0 H ILE A 31 8.627 0.705 -2.596 1.00 0.00 H new ATOM 0 HA ILE A 31 11.279 1.893 -2.922 1.00 0.00 H new ATOM 0 HB ILE A 31 9.948 0.099 -4.997 1.00 0.00 H new ATOM 0 HG12 ILE A 31 12.385 -0.969 -4.662 1.00 0.00 H new ATOM 0 HG13 ILE A 31 12.207 -0.271 -3.065 1.00 0.00 H new ATOM 0 HG21 ILE A 31 11.952 0.553 -6.356 1.00 0.00 H new ATOM 0 HG22 ILE A 31 11.036 2.041 -6.018 1.00 0.00 H new ATOM 0 HG23 ILE A 31 12.531 1.692 -5.117 1.00 0.00 H new ATOM 0 HD11 ILE A 31 11.450 -2.597 -3.093 1.00 0.00 H new ATOM 0 HD12 ILE A 31 10.091 -1.502 -2.747 1.00 0.00 H new ATOM 0 HD13 ILE A 31 10.271 -2.211 -4.369 1.00 0.00 H new ATOM 424 N VAL A 32 10.155 3.826 -3.996 1.00 0.00 N ATOM 425 CA VAL A 32 9.496 4.997 -4.560 1.00 0.00 C ATOM 426 C VAL A 32 10.031 5.312 -5.952 1.00 0.00 C ATOM 427 O VAL A 32 11.052 5.983 -6.099 1.00 0.00 O ATOM 428 CB VAL A 32 9.679 6.233 -3.659 1.00 0.00 C ATOM 429 CG1 VAL A 32 9.357 7.506 -4.427 1.00 0.00 C ATOM 430 CG2 VAL A 32 8.813 6.118 -2.414 1.00 0.00 C ATOM 0 H VAL A 32 11.066 4.016 -3.579 1.00 0.00 H new ATOM 0 HA VAL A 32 8.434 4.760 -4.628 1.00 0.00 H new ATOM 0 HB VAL A 32 10.722 6.281 -3.345 1.00 0.00 H new ATOM 0 HG11 VAL A 32 9.492 8.369 -3.774 1.00 0.00 H new ATOM 0 HG12 VAL A 32 10.024 7.592 -5.285 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.324 7.471 -4.773 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.955 7.000 -1.789 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.765 6.045 -2.705 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.097 5.227 -1.854 1.00 0.00 H new ATOM 440 N ASN A 33 9.333 4.823 -6.973 1.00 0.00 N ATOM 441 CA ASN A 33 9.739 5.053 -8.355 1.00 0.00 C ATOM 442 C ASN A 33 9.636 6.532 -8.713 1.00 0.00 C ATOM 443 O ASN A 33 10.585 7.123 -9.230 1.00 0.00 O ATOM 444 CB ASN A 33 8.873 4.225 -9.306 1.00 0.00 C ATOM 445 CG ASN A 33 9.457 2.851 -9.573 1.00 0.00 C ATOM 446 OD1 ASN A 33 10.336 2.692 -10.420 1.00 0.00 O ATOM 447 ND2 ASN A 33 8.970 1.850 -8.849 1.00 0.00 N ATOM 0 H ASN A 33 8.485 4.266 -6.869 1.00 0.00 H new ATOM 0 HA ASN A 33 10.779 4.744 -8.459 1.00 0.00 H new ATOM 0 HB2 ASN A 33 7.875 4.116 -8.882 1.00 0.00 H new ATOM 0 HB3 ASN A 33 8.762 4.759 -10.250 1.00 0.00 H new ATOM 0 HD21 ASN A 33 9.325 0.903 -8.984 1.00 0.00 H new ATOM 0 HD22 ASN A 33 8.241 2.028 -8.158 1.00 0.00 H new ATOM 454 N ASP A 34 8.480 7.124 -8.435 1.00 0.00 N ATOM 455 CA ASP A 34 8.253 8.535 -8.727 1.00 0.00 C ATOM 456 C ASP A 34 8.700 9.409 -7.559 1.00 0.00 C ATOM 457 O ASP A 34 7.906 9.732 -6.675 1.00 0.00 O ATOM 458 CB ASP A 34 6.775 8.784 -9.031 1.00 0.00 C ATOM 459 CG ASP A 34 6.502 10.217 -9.443 1.00 0.00 C ATOM 460 OD1 ASP A 34 7.294 11.105 -9.063 1.00 0.00 O ATOM 461 OD2 ASP A 34 5.497 10.451 -10.146 1.00 0.00 O ATOM 0 H ASP A 34 7.685 6.649 -8.008 1.00 0.00 H new ATOM 0 HA ASP A 34 8.845 8.800 -9.603 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.453 8.113 -9.827 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.180 8.543 -8.150 1.00 0.00 H new ATOM 466 N GLN A 35 9.974 9.788 -7.563 1.00 0.00 N ATOM 467 CA GLN A 35 10.525 10.623 -6.503 1.00 0.00 C ATOM 468 C GLN A 35 10.126 12.082 -6.696 1.00 0.00 C ATOM 469 O GLN A 35 9.785 12.776 -5.737 1.00 0.00 O ATOM 470 CB GLN A 35 12.049 10.500 -6.468 1.00 0.00 C ATOM 471 CG GLN A 35 12.647 10.727 -5.088 1.00 0.00 C ATOM 472 CD GLN A 35 12.127 9.744 -4.058 1.00 0.00 C ATOM 473 OE1 GLN A 35 11.218 10.056 -3.289 1.00 0.00 O ATOM 474 NE2 GLN A 35 12.703 8.548 -4.038 1.00 0.00 N ATOM 0 H GLN A 35 10.643 9.530 -8.288 1.00 0.00 H new ATOM 0 HA GLN A 35 10.117 10.276 -5.553 1.00 0.00 H new ATOM 0 HB2 GLN A 35 12.333 9.508 -6.819 1.00 0.00 H new ATOM 0 HB3 GLN A 35 12.479 11.220 -7.164 1.00 0.00 H new ATOM 0 HG2 GLN A 35 13.732 10.644 -5.148 1.00 0.00 H new ATOM 0 HG3 GLN A 35 12.422 11.742 -4.761 1.00 0.00 H new ATOM 0 HE21 GLN A 35 13.453 8.332 -4.694 1.00 0.00 H new ATOM 0 HE22 GLN A 35 12.395 7.845 -3.366 1.00 0.00 H new ATOM 483 N LEU A 36 10.170 12.542 -7.942 1.00 0.00 N ATOM 484 CA LEU A 36 9.813 13.920 -8.261 1.00 0.00 C ATOM 485 C LEU A 36 8.552 14.343 -7.514 1.00 0.00 C ATOM 486 O LEU A 36 8.563 15.317 -6.762 1.00 0.00 O ATOM 487 CB LEU A 36 9.603 14.077 -9.769 1.00 0.00 C ATOM 488 CG LEU A 36 9.038 15.420 -10.232 1.00 0.00 C ATOM 489 CD1 LEU A 36 10.152 16.446 -10.375 1.00 0.00 C ATOM 490 CD2 LEU A 36 8.287 15.259 -11.545 1.00 0.00 C ATOM 0 H LEU A 36 10.449 11.981 -8.747 1.00 0.00 H new ATOM 0 HA LEU A 36 10.633 14.564 -7.945 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.559 13.917 -10.267 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.931 13.287 -10.106 1.00 0.00 H new ATOM 0 HG LEU A 36 8.337 15.777 -9.478 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.732 17.396 -10.705 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.646 16.583 -9.413 1.00 0.00 H new ATOM 0 HD13 LEU A 36 10.877 16.095 -11.109 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.892 16.225 -11.859 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.966 14.879 -12.308 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.464 14.557 -11.410 1.00 0.00 H new ATOM 502 N ALA A 37 7.469 13.604 -7.726 1.00 0.00 N ATOM 503 CA ALA A 37 6.202 13.900 -7.069 1.00 0.00 C ATOM 504 C ALA A 37 6.423 14.361 -5.632 1.00 0.00 C ATOM 505 O ALA A 37 5.902 15.396 -5.215 1.00 0.00 O ATOM 506 CB ALA A 37 5.293 12.680 -7.100 1.00 0.00 C ATOM 0 H ALA A 37 7.443 12.796 -8.348 1.00 0.00 H new ATOM 0 HA ALA A 37 5.720 14.712 -7.613 1.00 0.00 H new ATOM 0 HB1 ALA A 37 4.351 12.916 -6.606 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.099 12.397 -8.135 1.00 0.00 H new ATOM 0 HB3 ALA A 37 5.777 11.852 -6.582 1.00 0.00 H new ATOM 512 N VAL A 38 7.197 13.586 -4.879 1.00 0.00 N ATOM 513 CA VAL A 38 7.486 13.915 -3.489 1.00 0.00 C ATOM 514 C VAL A 38 8.328 15.182 -3.388 1.00 0.00 C ATOM 515 O VAL A 38 7.921 16.162 -2.764 1.00 0.00 O ATOM 516 CB VAL A 38 8.226 12.763 -2.782 1.00 0.00 C ATOM 517 CG1 VAL A 38 8.537 13.134 -1.340 1.00 0.00 C ATOM 518 CG2 VAL A 38 7.405 11.484 -2.847 1.00 0.00 C ATOM 0 H VAL A 38 7.635 12.726 -5.209 1.00 0.00 H new ATOM 0 HA VAL A 38 6.528 14.079 -2.996 1.00 0.00 H new ATOM 0 HB VAL A 38 9.170 12.589 -3.299 1.00 0.00 H new ATOM 0 HG11 VAL A 38 9.060 12.309 -0.857 1.00 0.00 H new ATOM 0 HG12 VAL A 38 9.167 14.023 -1.321 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.608 13.336 -0.808 1.00 0.00 H new ATOM 0 HG21 VAL A 38 7.942 10.681 -2.343 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.445 11.642 -2.356 1.00 0.00 H new ATOM 0 HG23 VAL A 38 7.239 11.211 -3.889 1.00 0.00 H new ATOM 528 N ALA A 39 9.504 15.155 -4.006 1.00 0.00 N ATOM 529 CA ALA A 39 10.403 16.303 -3.989 1.00 0.00 C ATOM 530 C ALA A 39 9.625 17.611 -4.091 1.00 0.00 C ATOM 531 O ALA A 39 9.789 18.506 -3.263 1.00 0.00 O ATOM 532 CB ALA A 39 11.415 16.198 -5.120 1.00 0.00 C ATOM 0 H ALA A 39 9.857 14.351 -4.525 1.00 0.00 H new ATOM 0 HA ALA A 39 10.936 16.302 -3.038 1.00 0.00 H new ATOM 0 HB1 ALA A 39 12.079 17.062 -5.095 1.00 0.00 H new ATOM 0 HB2 ALA A 39 12.000 15.286 -5.001 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.891 16.171 -6.076 1.00 0.00 H new ATOM 538 N GLU A 40 8.780 17.713 -5.112 1.00 0.00 N ATOM 539 CA GLU A 40 7.979 18.913 -5.322 1.00 0.00 C ATOM 540 C GLU A 40 7.063 19.172 -4.129 1.00 0.00 C ATOM 541 O GLU A 40 6.931 20.307 -3.668 1.00 0.00 O ATOM 542 CB GLU A 40 7.145 18.780 -6.598 1.00 0.00 C ATOM 543 CG GLU A 40 7.872 19.241 -7.850 1.00 0.00 C ATOM 544 CD GLU A 40 7.949 20.752 -7.957 1.00 0.00 C ATOM 545 OE1 GLU A 40 6.885 21.391 -8.097 1.00 0.00 O ATOM 546 OE2 GLU A 40 9.072 21.294 -7.901 1.00 0.00 O ATOM 0 H GLU A 40 8.633 16.980 -5.806 1.00 0.00 H new ATOM 0 HA GLU A 40 8.659 19.758 -5.427 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.850 17.738 -6.722 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.229 19.360 -6.486 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.881 18.828 -7.852 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.363 18.844 -8.728 1.00 0.00 H new ATOM 553 N LEU A 41 6.434 18.113 -3.633 1.00 0.00 N ATOM 554 CA LEU A 41 5.530 18.224 -2.493 1.00 0.00 C ATOM 555 C LEU A 41 6.171 19.027 -1.366 1.00 0.00 C ATOM 556 O LEU A 41 5.569 19.960 -0.833 1.00 0.00 O ATOM 557 CB LEU A 41 5.143 16.833 -1.987 1.00 0.00 C ATOM 558 CG LEU A 41 4.015 16.785 -0.955 1.00 0.00 C ATOM 559 CD1 LEU A 41 2.710 17.270 -1.568 1.00 0.00 C ATOM 560 CD2 LEU A 41 3.856 15.375 -0.405 1.00 0.00 C ATOM 0 H LEU A 41 6.533 17.167 -4.002 1.00 0.00 H new ATOM 0 HA LEU A 41 4.632 18.747 -2.822 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.851 16.225 -2.843 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.027 16.367 -1.552 1.00 0.00 H new ATOM 0 HG LEU A 41 4.274 17.449 -0.130 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.919 17.229 -0.819 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.830 18.297 -1.913 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.445 16.632 -2.411 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.049 15.359 0.328 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.619 14.691 -1.220 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.785 15.063 0.072 1.00 0.00 H new ATOM 572 N LYS A 42 7.397 18.661 -1.009 1.00 0.00 N ATOM 573 CA LYS A 42 8.123 19.349 0.052 1.00 0.00 C ATOM 574 C LYS A 42 8.347 20.815 -0.304 1.00 0.00 C ATOM 575 O LYS A 42 8.149 21.703 0.526 1.00 0.00 O ATOM 576 CB LYS A 42 9.468 18.664 0.306 1.00 0.00 C ATOM 577 CG LYS A 42 9.382 17.495 1.273 1.00 0.00 C ATOM 578 CD LYS A 42 9.094 16.191 0.548 1.00 0.00 C ATOM 579 CE LYS A 42 9.696 15.002 1.280 1.00 0.00 C ATOM 580 NZ LYS A 42 11.179 14.964 1.153 1.00 0.00 N ATOM 0 H LYS A 42 7.909 17.891 -1.439 1.00 0.00 H new ATOM 0 HA LYS A 42 7.521 19.301 0.959 1.00 0.00 H new ATOM 0 HB2 LYS A 42 9.871 18.311 -0.643 1.00 0.00 H new ATOM 0 HB3 LYS A 42 10.172 19.398 0.698 1.00 0.00 H new ATOM 0 HG2 LYS A 42 10.319 17.407 1.823 1.00 0.00 H new ATOM 0 HG3 LYS A 42 8.598 17.685 2.006 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.016 16.055 0.456 1.00 0.00 H new ATOM 0 HD3 LYS A 42 9.497 16.239 -0.464 1.00 0.00 H new ATOM 0 HE2 LYS A 42 9.423 15.049 2.334 1.00 0.00 H new ATOM 0 HE3 LYS A 42 9.274 14.079 0.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 11.523 14.011 1.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 11.450 15.199 0.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 11.601 15.655 1.805 1.00 0.00 H new ATOM 594 N ASP A 43 8.760 21.062 -1.543 1.00 0.00 N ATOM 595 CA ASP A 43 9.008 22.421 -2.009 1.00 0.00 C ATOM 596 C ASP A 43 7.767 23.291 -1.835 1.00 0.00 C ATOM 597 O ASP A 43 7.858 24.439 -1.399 1.00 0.00 O ATOM 598 CB ASP A 43 9.435 22.408 -3.478 1.00 0.00 C ATOM 599 CG ASP A 43 9.948 23.757 -3.943 1.00 0.00 C ATOM 600 OD1 ASP A 43 10.774 24.357 -3.225 1.00 0.00 O ATOM 601 OD2 ASP A 43 9.522 24.213 -5.025 1.00 0.00 O ATOM 0 H ASP A 43 8.930 20.339 -2.242 1.00 0.00 H new ATOM 0 HA ASP A 43 9.813 22.844 -1.408 1.00 0.00 H new ATOM 0 HB2 ASP A 43 10.213 21.658 -3.621 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.588 22.111 -4.097 1.00 0.00 H new ATOM 606 N CYS A 44 6.610 22.737 -2.179 1.00 0.00 N ATOM 607 CA CYS A 44 5.350 23.463 -2.063 1.00 0.00 C ATOM 608 C CYS A 44 5.087 23.866 -0.616 1.00 0.00 C ATOM 609 O CYS A 44 4.828 25.034 -0.323 1.00 0.00 O ATOM 610 CB CYS A 44 4.195 22.608 -2.586 1.00 0.00 C ATOM 611 SG CYS A 44 2.857 23.559 -3.344 1.00 0.00 S ATOM 0 H CYS A 44 6.518 21.788 -2.540 1.00 0.00 H new ATOM 0 HA CYS A 44 5.423 24.368 -2.666 1.00 0.00 H new ATOM 0 HB2 CYS A 44 4.584 21.900 -3.318 1.00 0.00 H new ATOM 0 HB3 CYS A 44 3.788 22.022 -1.762 1.00 0.00 H new ATOM 0 HG CYS A 44 1.929 22.748 -3.757 1.00 0.00 H new ATOM 617 N ILE A 45 5.153 22.891 0.285 1.00 0.00 N ATOM 618 CA ILE A 45 4.921 23.145 1.702 1.00 0.00 C ATOM 619 C ILE A 45 5.938 24.135 2.257 1.00 0.00 C ATOM 620 O ILE A 45 5.572 25.155 2.840 1.00 0.00 O ATOM 621 CB ILE A 45 4.985 21.844 2.524 1.00 0.00 C ATOM 622 CG1 ILE A 45 3.873 20.887 2.093 1.00 0.00 C ATOM 623 CG2 ILE A 45 4.880 22.152 4.011 1.00 0.00 C ATOM 624 CD1 ILE A 45 4.232 19.427 2.264 1.00 0.00 C ATOM 0 H ILE A 45 5.365 21.919 0.059 1.00 0.00 H new ATOM 0 HA ILE A 45 3.921 23.570 1.787 1.00 0.00 H new ATOM 0 HB ILE A 45 5.945 21.362 2.339 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.975 21.102 2.672 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.630 21.073 1.047 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.927 21.223 4.579 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.704 22.800 4.307 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.933 22.653 4.213 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.397 18.806 1.939 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.112 19.196 1.663 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.446 19.226 3.314 1.00 0.00 H new ATOM 636 N GLU A 46 7.218 23.828 2.071 1.00 0.00 N ATOM 637 CA GLU A 46 8.289 24.692 2.552 1.00 0.00 C ATOM 638 C GLU A 46 8.076 26.131 2.090 1.00 0.00 C ATOM 639 O GLU A 46 8.135 27.067 2.888 1.00 0.00 O ATOM 640 CB GLU A 46 9.646 24.183 2.061 1.00 0.00 C ATOM 641 CG GLU A 46 10.096 22.900 2.740 1.00 0.00 C ATOM 642 CD GLU A 46 10.890 23.157 4.006 1.00 0.00 C ATOM 643 OE1 GLU A 46 11.639 24.156 4.043 1.00 0.00 O ATOM 644 OE2 GLU A 46 10.763 22.360 4.958 1.00 0.00 O ATOM 0 H GLU A 46 7.538 22.987 1.591 1.00 0.00 H new ATOM 0 HA GLU A 46 8.275 24.672 3.642 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.595 24.016 0.985 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.397 24.955 2.228 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.222 22.295 2.980 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.704 22.320 2.046 1.00 0.00 H new ATOM 783 N SER A 55 3.034 15.805 -10.102 1.00 0.00 N ATOM 784 CA SER A 55 2.612 14.462 -10.481 1.00 0.00 C ATOM 785 C SER A 55 2.238 13.642 -9.250 1.00 0.00 C ATOM 786 O SER A 55 2.710 13.908 -8.144 1.00 0.00 O ATOM 787 CB SER A 55 3.724 13.755 -11.259 1.00 0.00 C ATOM 788 OG SER A 55 3.644 14.050 -12.643 1.00 0.00 O ATOM 0 HA SER A 55 1.732 14.551 -11.118 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.695 14.064 -10.873 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.650 12.678 -11.108 1.00 0.00 H new ATOM 0 HG SER A 55 4.366 13.588 -13.118 1.00 0.00 H new ATOM 794 N LYS A 56 1.385 12.642 -9.449 1.00 0.00 N ATOM 795 CA LYS A 56 0.946 11.781 -8.357 1.00 0.00 C ATOM 796 C LYS A 56 2.113 10.971 -7.801 1.00 0.00 C ATOM 797 O LYS A 56 2.937 10.453 -8.554 1.00 0.00 O ATOM 798 CB LYS A 56 -0.160 10.839 -8.837 1.00 0.00 C ATOM 799 CG LYS A 56 -1.561 11.357 -8.563 1.00 0.00 C ATOM 800 CD LYS A 56 -2.582 10.725 -9.496 1.00 0.00 C ATOM 801 CE LYS A 56 -2.825 11.588 -10.724 1.00 0.00 C ATOM 802 NZ LYS A 56 -3.394 12.916 -10.364 1.00 0.00 N ATOM 0 H LYS A 56 0.984 12.408 -10.357 1.00 0.00 H new ATOM 0 HA LYS A 56 0.555 12.415 -7.561 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.046 10.674 -9.908 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.038 9.871 -8.351 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.832 11.146 -7.529 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.579 12.440 -8.682 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.233 9.740 -9.806 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.521 10.577 -8.963 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.887 11.728 -11.261 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -3.506 11.073 -11.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -3.764 13.378 -11.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -4.165 12.789 -9.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -2.651 13.510 -9.943 1.00 0.00 H new ATOM 816 N VAL A 57 2.176 10.865 -6.477 1.00 0.00 N ATOM 817 CA VAL A 57 3.240 10.116 -5.820 1.00 0.00 C ATOM 818 C VAL A 57 3.041 8.614 -5.992 1.00 0.00 C ATOM 819 O VAL A 57 2.218 8.004 -5.309 1.00 0.00 O ATOM 820 CB VAL A 57 3.311 10.445 -4.317 1.00 0.00 C ATOM 821 CG1 VAL A 57 4.472 9.709 -3.664 1.00 0.00 C ATOM 822 CG2 VAL A 57 3.435 11.946 -4.105 1.00 0.00 C ATOM 0 H VAL A 57 1.502 11.289 -5.839 1.00 0.00 H new ATOM 0 HA VAL A 57 4.176 10.412 -6.294 1.00 0.00 H new ATOM 0 HB VAL A 57 2.387 10.110 -3.846 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.507 9.953 -2.602 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.336 8.634 -3.785 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.406 10.011 -4.137 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.484 12.160 -3.037 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.342 12.308 -4.589 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.568 12.447 -4.536 1.00 0.00 H new ATOM 832 N TYR A 58 3.801 8.024 -6.908 1.00 0.00 N ATOM 833 CA TYR A 58 3.707 6.593 -7.172 1.00 0.00 C ATOM 834 C TYR A 58 4.806 5.831 -6.436 1.00 0.00 C ATOM 835 O TYR A 58 5.992 6.002 -6.719 1.00 0.00 O ATOM 836 CB TYR A 58 3.801 6.323 -8.674 1.00 0.00 C ATOM 837 CG TYR A 58 4.130 4.886 -9.011 1.00 0.00 C ATOM 838 CD1 TYR A 58 3.324 3.845 -8.567 1.00 0.00 C ATOM 839 CD2 TYR A 58 5.247 4.569 -9.776 1.00 0.00 C ATOM 840 CE1 TYR A 58 3.622 2.531 -8.872 1.00 0.00 C ATOM 841 CE2 TYR A 58 5.551 3.258 -10.087 1.00 0.00 C ATOM 842 CZ TYR A 58 4.736 2.243 -9.632 1.00 0.00 C ATOM 843 OH TYR A 58 5.035 0.935 -9.940 1.00 0.00 O ATOM 0 H TYR A 58 4.489 8.514 -7.480 1.00 0.00 H new ATOM 0 HA TYR A 58 2.741 6.244 -6.807 1.00 0.00 H new ATOM 0 HB2 TYR A 58 2.854 6.590 -9.143 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.563 6.972 -9.104 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.450 4.067 -7.973 1.00 0.00 H new ATOM 0 HD2 TYR A 58 5.888 5.361 -10.133 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.986 1.734 -8.517 1.00 0.00 H new ATOM 0 HE2 TYR A 58 6.422 3.029 -10.683 1.00 0.00 H new ATOM 0 HH TYR A 58 5.099 0.411 -9.114 1.00 0.00 H new ATOM 853 N PHE A 59 4.401 4.988 -5.492 1.00 0.00 N ATOM 854 CA PHE A 59 5.350 4.199 -4.715 1.00 0.00 C ATOM 855 C PHE A 59 4.793 2.807 -4.429 1.00 0.00 C ATOM 856 O PHE A 59 3.744 2.661 -3.801 1.00 0.00 O ATOM 857 CB PHE A 59 5.680 4.908 -3.400 1.00 0.00 C ATOM 858 CG PHE A 59 4.521 4.975 -2.447 1.00 0.00 C ATOM 859 CD1 PHE A 59 3.506 5.900 -2.635 1.00 0.00 C ATOM 860 CD2 PHE A 59 4.446 4.113 -1.365 1.00 0.00 C ATOM 861 CE1 PHE A 59 2.438 5.964 -1.759 1.00 0.00 C ATOM 862 CE2 PHE A 59 3.380 4.172 -0.487 1.00 0.00 C ATOM 863 CZ PHE A 59 2.375 5.098 -0.684 1.00 0.00 C ATOM 0 H PHE A 59 3.423 4.834 -5.247 1.00 0.00 H new ATOM 0 HA PHE A 59 6.263 4.094 -5.302 1.00 0.00 H new ATOM 0 HB2 PHE A 59 6.509 4.391 -2.916 1.00 0.00 H new ATOM 0 HB3 PHE A 59 6.020 5.921 -3.618 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.550 6.578 -3.475 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.229 3.387 -1.206 1.00 0.00 H new ATOM 0 HE1 PHE A 59 1.654 6.690 -1.915 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.333 3.494 0.353 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.541 5.145 0.001 1.00 0.00 H new ATOM 873 N THR A 60 5.504 1.785 -4.895 1.00 0.00 N ATOM 874 CA THR A 60 5.082 0.405 -4.692 1.00 0.00 C ATOM 875 C THR A 60 5.681 -0.171 -3.413 1.00 0.00 C ATOM 876 O THR A 60 6.851 0.058 -3.107 1.00 0.00 O ATOM 877 CB THR A 60 5.485 -0.487 -5.881 1.00 0.00 C ATOM 878 OG1 THR A 60 5.043 0.103 -7.108 1.00 0.00 O ATOM 879 CG2 THR A 60 4.891 -1.880 -5.739 1.00 0.00 C ATOM 0 H THR A 60 6.375 1.887 -5.416 1.00 0.00 H new ATOM 0 HA THR A 60 3.995 0.416 -4.608 1.00 0.00 H new ATOM 0 HB THR A 60 6.572 -0.572 -5.890 1.00 0.00 H new ATOM 0 HG1 THR A 60 5.561 0.916 -7.285 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.190 -2.491 -6.591 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.253 -2.338 -4.819 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.804 -1.810 -5.706 1.00 0.00 H new ATOM 887 N ILE A 61 4.872 -0.920 -2.671 1.00 0.00 N ATOM 888 CA ILE A 61 5.324 -1.529 -1.427 1.00 0.00 C ATOM 889 C ILE A 61 5.361 -3.049 -1.541 1.00 0.00 C ATOM 890 O ILE A 61 4.355 -3.683 -1.855 1.00 0.00 O ATOM 891 CB ILE A 61 4.416 -1.137 -0.246 1.00 0.00 C ATOM 892 CG1 ILE A 61 4.450 0.377 -0.029 1.00 0.00 C ATOM 893 CG2 ILE A 61 4.846 -1.868 1.018 1.00 0.00 C ATOM 894 CD1 ILE A 61 3.518 0.853 1.063 1.00 0.00 C ATOM 0 H ILE A 61 3.901 -1.119 -2.910 1.00 0.00 H new ATOM 0 HA ILE A 61 6.331 -1.156 -1.241 1.00 0.00 H new ATOM 0 HB ILE A 61 3.392 -1.429 -0.481 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.468 0.678 0.217 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.187 0.875 -0.962 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.195 -1.581 1.844 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.776 -2.944 0.858 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.876 -1.604 1.259 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.595 1.936 1.161 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.493 0.584 0.809 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.794 0.383 2.007 1.00 0.00 H new ATOM 906 N ASN A 62 6.529 -3.628 -1.283 1.00 0.00 N ATOM 907 CA ASN A 62 6.698 -5.075 -1.356 1.00 0.00 C ATOM 908 C ASN A 62 6.589 -5.706 0.029 1.00 0.00 C ATOM 909 O ASN A 62 7.364 -5.387 0.930 1.00 0.00 O ATOM 910 CB ASN A 62 8.051 -5.421 -1.980 1.00 0.00 C ATOM 911 CG ASN A 62 8.177 -4.913 -3.404 1.00 0.00 C ATOM 912 OD1 ASN A 62 7.215 -4.938 -4.172 1.00 0.00 O ATOM 913 ND2 ASN A 62 9.368 -4.447 -3.762 1.00 0.00 N ATOM 0 H ASN A 62 7.373 -3.118 -1.022 1.00 0.00 H new ATOM 0 HA ASN A 62 5.902 -5.477 -1.983 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.848 -4.993 -1.372 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.187 -6.502 -1.969 1.00 0.00 H new ATOM 0 HD21 ASN A 62 9.513 -4.091 -4.707 1.00 0.00 H new ATOM 0 HD22 ASN A 62 10.137 -4.445 -3.092 1.00 0.00 H new ATOM 920 N MET A 63 5.621 -6.602 0.190 1.00 0.00 N ATOM 921 CA MET A 63 5.412 -7.280 1.465 1.00 0.00 C ATOM 922 C MET A 63 5.453 -8.794 1.289 1.00 0.00 C ATOM 923 O MET A 63 4.554 -9.383 0.692 1.00 0.00 O ATOM 924 CB MET A 63 4.073 -6.861 2.075 1.00 0.00 C ATOM 925 CG MET A 63 3.976 -5.372 2.364 1.00 0.00 C ATOM 926 SD MET A 63 2.282 -4.758 2.283 1.00 0.00 S ATOM 927 CE MET A 63 1.481 -5.816 3.486 1.00 0.00 C ATOM 0 H MET A 63 4.969 -6.876 -0.545 1.00 0.00 H new ATOM 0 HA MET A 63 6.217 -6.989 2.140 1.00 0.00 H new ATOM 0 HB2 MET A 63 3.269 -7.144 1.395 1.00 0.00 H new ATOM 0 HB3 MET A 63 3.916 -7.414 3.001 1.00 0.00 H new ATOM 0 HG2 MET A 63 4.384 -5.171 3.354 1.00 0.00 H new ATOM 0 HG3 MET A 63 4.591 -4.826 1.649 1.00 0.00 H new ATOM 0 HE1 MET A 63 0.402 -5.792 3.331 1.00 0.00 H new ATOM 0 HE2 MET A 63 1.842 -6.838 3.369 1.00 0.00 H new ATOM 0 HE3 MET A 63 1.711 -5.463 4.491 1.00 0.00 H new ATOM 937 N ASN A 64 6.503 -9.418 1.813 1.00 0.00 N ATOM 938 CA ASN A 64 6.661 -10.865 1.713 1.00 0.00 C ATOM 939 C ASN A 64 5.816 -11.578 2.764 1.00 0.00 C ATOM 940 O ASN A 64 5.890 -11.266 3.953 1.00 0.00 O ATOM 941 CB ASN A 64 8.132 -11.250 1.878 1.00 0.00 C ATOM 942 CG ASN A 64 8.880 -11.257 0.558 1.00 0.00 C ATOM 943 OD1 ASN A 64 8.910 -10.254 -0.155 1.00 0.00 O ATOM 944 ND2 ASN A 64 9.487 -12.391 0.228 1.00 0.00 N ATOM 0 H ASN A 64 7.257 -8.945 2.311 1.00 0.00 H new ATOM 0 HA ASN A 64 6.319 -11.176 0.726 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.613 -10.550 2.561 1.00 0.00 H new ATOM 0 HB3 ASN A 64 8.197 -12.238 2.335 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.005 -12.456 -0.648 1.00 0.00 H new ATOM 0 HD22 ASN A 64 9.435 -13.197 0.851 1.00 0.00 H new ATOM 951 N LEU A 65 5.014 -12.538 2.317 1.00 0.00 N ATOM 952 CA LEU A 65 4.154 -13.298 3.219 1.00 0.00 C ATOM 953 C LEU A 65 4.071 -14.759 2.789 1.00 0.00 C ATOM 954 O LEU A 65 4.158 -15.073 1.602 1.00 0.00 O ATOM 955 CB LEU A 65 2.753 -12.685 3.257 1.00 0.00 C ATOM 956 CG LEU A 65 2.686 -11.159 3.183 1.00 0.00 C ATOM 957 CD1 LEU A 65 1.396 -10.713 2.512 1.00 0.00 C ATOM 958 CD2 LEU A 65 2.804 -10.553 4.574 1.00 0.00 C ATOM 0 H LEU A 65 4.941 -12.809 1.336 1.00 0.00 H new ATOM 0 HA LEU A 65 4.589 -13.256 4.218 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.176 -13.095 2.428 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.262 -13.006 4.176 1.00 0.00 H new ATOM 0 HG LEU A 65 3.524 -10.806 2.582 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.366 -9.624 2.468 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.353 -11.118 1.501 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.543 -11.077 3.085 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.754 -9.466 4.503 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.987 -10.913 5.198 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.756 -10.844 5.018 1.00 0.00 H new ATOM 970 N ASP A 66 3.898 -15.647 3.761 1.00 0.00 N ATOM 971 CA ASP A 66 3.799 -17.076 3.484 1.00 0.00 C ATOM 972 C ASP A 66 2.378 -17.453 3.078 1.00 0.00 C ATOM 973 O ASP A 66 1.412 -17.079 3.742 1.00 0.00 O ATOM 974 CB ASP A 66 4.226 -17.886 4.709 1.00 0.00 C ATOM 975 CG ASP A 66 5.730 -17.904 4.896 1.00 0.00 C ATOM 976 OD1 ASP A 66 6.307 -16.829 5.160 1.00 0.00 O ATOM 977 OD2 ASP A 66 6.330 -18.993 4.779 1.00 0.00 O ATOM 0 H ASP A 66 3.823 -15.403 4.749 1.00 0.00 H new ATOM 0 HA ASP A 66 4.468 -17.308 2.655 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.757 -17.467 5.599 1.00 0.00 H new ATOM 0 HB3 ASP A 66 3.863 -18.909 4.609 1.00 0.00 H new ATOM 982 N VAL A 67 2.258 -18.196 1.982 1.00 0.00 N ATOM 983 CA VAL A 67 0.955 -18.624 1.487 1.00 0.00 C ATOM 984 C VAL A 67 0.753 -20.120 1.695 1.00 0.00 C ATOM 985 O VAL A 67 -0.316 -20.560 2.117 1.00 0.00 O ATOM 986 CB VAL A 67 0.788 -18.297 -0.009 1.00 0.00 C ATOM 987 CG1 VAL A 67 0.539 -16.810 -0.206 1.00 0.00 C ATOM 988 CG2 VAL A 67 2.011 -18.750 -0.793 1.00 0.00 C ATOM 0 H VAL A 67 3.048 -18.514 1.420 1.00 0.00 H new ATOM 0 HA VAL A 67 0.204 -18.076 2.057 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.079 -18.839 -0.387 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.424 -16.598 -1.269 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.369 -16.520 0.323 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.384 -16.244 0.187 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.876 -18.511 -1.848 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.896 -18.237 -0.415 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.139 -19.826 -0.678 1.00 0.00 H new ATOM 998 N SER A 68 1.789 -20.899 1.397 1.00 0.00 N ATOM 999 CA SER A 68 1.724 -22.348 1.548 1.00 0.00 C ATOM 1000 C SER A 68 3.079 -22.985 1.255 1.00 0.00 C ATOM 1001 O SER A 68 4.016 -22.310 0.830 1.00 0.00 O ATOM 1002 CB SER A 68 0.661 -22.932 0.616 1.00 0.00 C ATOM 1003 OG SER A 68 0.886 -22.537 -0.726 1.00 0.00 O ATOM 0 H SER A 68 2.683 -20.551 1.050 1.00 0.00 H new ATOM 0 HA SER A 68 1.453 -22.570 2.580 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.671 -24.020 0.685 1.00 0.00 H new ATOM 0 HB3 SER A 68 -0.328 -22.601 0.935 1.00 0.00 H new ATOM 0 HG SER A 68 0.194 -22.925 -1.302 1.00 0.00 H new ATOM 1009 N ASP A 69 3.174 -24.290 1.486 1.00 0.00 N ATOM 1010 CA ASP A 69 4.413 -25.021 1.246 1.00 0.00 C ATOM 1011 C ASP A 69 5.599 -24.303 1.882 1.00 0.00 C ATOM 1012 O ASP A 69 6.616 -24.068 1.231 1.00 0.00 O ATOM 1013 CB ASP A 69 4.648 -25.190 -0.255 1.00 0.00 C ATOM 1014 CG ASP A 69 5.414 -26.456 -0.583 1.00 0.00 C ATOM 1015 OD1 ASP A 69 4.849 -27.555 -0.400 1.00 0.00 O ATOM 1016 OD2 ASP A 69 6.579 -26.349 -1.020 1.00 0.00 O ATOM 0 H ASP A 69 2.408 -24.863 1.839 1.00 0.00 H new ATOM 0 HA ASP A 69 4.320 -26.006 1.704 1.00 0.00 H new ATOM 0 HB2 ASP A 69 3.688 -25.206 -0.770 1.00 0.00 H new ATOM 0 HB3 ASP A 69 5.198 -24.328 -0.633 1.00 0.00 H new ATOM 1021 N GLU A 70 5.460 -23.956 3.158 1.00 0.00 N ATOM 1022 CA GLU A 70 6.520 -23.263 3.881 1.00 0.00 C ATOM 1023 C GLU A 70 7.209 -22.239 2.984 1.00 0.00 C ATOM 1024 O GLU A 70 8.386 -21.927 3.169 1.00 0.00 O ATOM 1025 CB GLU A 70 7.546 -24.266 4.411 1.00 0.00 C ATOM 1026 CG GLU A 70 8.217 -25.085 3.321 1.00 0.00 C ATOM 1027 CD GLU A 70 9.401 -25.880 3.834 1.00 0.00 C ATOM 1028 OE1 GLU A 70 10.179 -25.332 4.643 1.00 0.00 O ATOM 1029 OE2 GLU A 70 9.550 -27.051 3.427 1.00 0.00 O ATOM 0 H GLU A 70 4.624 -24.143 3.712 1.00 0.00 H new ATOM 0 HA GLU A 70 6.068 -22.738 4.723 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.310 -23.729 4.972 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.053 -24.942 5.110 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.488 -25.767 2.884 1.00 0.00 H new ATOM 0 HG3 GLU A 70 8.549 -24.420 2.524 1.00 0.00 H new ATOM 1036 N LYS A 71 6.468 -21.718 2.012 1.00 0.00 N ATOM 1037 CA LYS A 71 7.006 -20.729 1.086 1.00 0.00 C ATOM 1038 C LYS A 71 6.306 -19.385 1.259 1.00 0.00 C ATOM 1039 O LYS A 71 5.424 -19.239 2.104 1.00 0.00 O ATOM 1040 CB LYS A 71 6.852 -21.214 -0.357 1.00 0.00 C ATOM 1041 CG LYS A 71 8.027 -22.042 -0.849 1.00 0.00 C ATOM 1042 CD LYS A 71 9.095 -21.171 -1.488 1.00 0.00 C ATOM 1043 CE LYS A 71 8.660 -20.670 -2.857 1.00 0.00 C ATOM 1044 NZ LYS A 71 9.030 -21.624 -3.940 1.00 0.00 N ATOM 0 H LYS A 71 5.492 -21.965 1.845 1.00 0.00 H new ATOM 0 HA LYS A 71 8.065 -20.599 1.308 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.941 -21.808 -0.437 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.728 -20.350 -1.010 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.458 -22.595 -0.014 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.677 -22.779 -1.572 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.309 -20.321 -0.840 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.020 -21.739 -1.584 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.581 -20.516 -2.861 1.00 0.00 H new ATOM 0 HE3 LYS A 71 9.121 -19.702 -3.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.717 -21.247 -4.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.062 -21.752 -3.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.570 -22.541 -3.767 1.00 0.00 H new ATOM 1058 N MET A 72 6.704 -18.407 0.451 1.00 0.00 N ATOM 1059 CA MET A 72 6.111 -17.076 0.514 1.00 0.00 C ATOM 1060 C MET A 72 6.229 -16.365 -0.830 1.00 0.00 C ATOM 1061 O MET A 72 7.052 -16.733 -1.668 1.00 0.00 O ATOM 1062 CB MET A 72 6.788 -16.244 1.605 1.00 0.00 C ATOM 1063 CG MET A 72 8.306 -16.240 1.513 1.00 0.00 C ATOM 1064 SD MET A 72 9.097 -15.939 3.105 1.00 0.00 S ATOM 1065 CE MET A 72 8.345 -14.380 3.567 1.00 0.00 C ATOM 0 H MET A 72 7.434 -18.511 -0.254 1.00 0.00 H new ATOM 0 HA MET A 72 5.054 -17.187 0.755 1.00 0.00 H new ATOM 0 HB2 MET A 72 6.426 -15.218 1.545 1.00 0.00 H new ATOM 0 HB3 MET A 72 6.492 -16.630 2.581 1.00 0.00 H new ATOM 0 HG2 MET A 72 8.645 -17.198 1.119 1.00 0.00 H new ATOM 0 HG3 MET A 72 8.621 -15.474 0.804 1.00 0.00 H new ATOM 0 HE1 MET A 72 9.119 -13.619 3.670 1.00 0.00 H new ATOM 0 HE2 MET A 72 7.637 -14.075 2.796 1.00 0.00 H new ATOM 0 HE3 MET A 72 7.821 -14.496 4.516 1.00 0.00 H new ATOM 1075 N ALA A 73 5.401 -15.345 -1.029 1.00 0.00 N ATOM 1076 CA ALA A 73 5.414 -14.581 -2.271 1.00 0.00 C ATOM 1077 C ALA A 73 5.486 -13.084 -1.994 1.00 0.00 C ATOM 1078 O ALA A 73 5.144 -12.627 -0.903 1.00 0.00 O ATOM 1079 CB ALA A 73 4.182 -14.907 -3.104 1.00 0.00 C ATOM 0 H ALA A 73 4.713 -15.028 -0.346 1.00 0.00 H new ATOM 0 HA ALA A 73 6.304 -14.863 -2.833 1.00 0.00 H new ATOM 0 HB1 ALA A 73 4.205 -14.330 -4.028 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.174 -15.971 -3.341 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.284 -14.654 -2.540 1.00 0.00 H new ATOM 1085 N MET A 74 5.934 -12.323 -2.988 1.00 0.00 N ATOM 1086 CA MET A 74 6.050 -10.876 -2.850 1.00 0.00 C ATOM 1087 C MET A 74 4.764 -10.183 -3.290 1.00 0.00 C ATOM 1088 O MET A 74 4.282 -10.396 -4.403 1.00 0.00 O ATOM 1089 CB MET A 74 7.230 -10.358 -3.674 1.00 0.00 C ATOM 1090 CG MET A 74 7.516 -8.880 -3.463 1.00 0.00 C ATOM 1091 SD MET A 74 9.183 -8.415 -3.969 1.00 0.00 S ATOM 1092 CE MET A 74 10.054 -8.527 -2.408 1.00 0.00 C ATOM 0 H MET A 74 6.222 -12.685 -3.897 1.00 0.00 H new ATOM 0 HA MET A 74 6.222 -10.648 -1.798 1.00 0.00 H new ATOM 0 HB2 MET A 74 8.121 -10.932 -3.419 1.00 0.00 H new ATOM 0 HB3 MET A 74 7.030 -10.534 -4.731 1.00 0.00 H new ATOM 0 HG2 MET A 74 6.792 -8.290 -4.025 1.00 0.00 H new ATOM 0 HG3 MET A 74 7.378 -8.634 -2.410 1.00 0.00 H new ATOM 0 HE1 MET A 74 10.909 -7.851 -2.419 1.00 0.00 H new ATOM 0 HE2 MET A 74 9.382 -8.250 -1.596 1.00 0.00 H new ATOM 0 HE3 MET A 74 10.402 -9.549 -2.258 1.00 0.00 H new ATOM 1102 N PHE A 75 4.214 -9.354 -2.410 1.00 0.00 N ATOM 1103 CA PHE A 75 2.983 -8.630 -2.708 1.00 0.00 C ATOM 1104 C PHE A 75 3.263 -7.146 -2.925 1.00 0.00 C ATOM 1105 O PHE A 75 3.523 -6.407 -1.975 1.00 0.00 O ATOM 1106 CB PHE A 75 1.974 -8.809 -1.572 1.00 0.00 C ATOM 1107 CG PHE A 75 1.152 -10.061 -1.692 1.00 0.00 C ATOM 1108 CD1 PHE A 75 1.627 -11.267 -1.203 1.00 0.00 C ATOM 1109 CD2 PHE A 75 -0.096 -10.031 -2.294 1.00 0.00 C ATOM 1110 CE1 PHE A 75 0.873 -12.420 -1.311 1.00 0.00 C ATOM 1111 CE2 PHE A 75 -0.854 -11.181 -2.404 1.00 0.00 C ATOM 1112 CZ PHE A 75 -0.369 -12.377 -1.914 1.00 0.00 C ATOM 0 H PHE A 75 4.600 -9.166 -1.485 1.00 0.00 H new ATOM 0 HA PHE A 75 2.563 -9.040 -3.626 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.508 -8.824 -0.622 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.307 -7.947 -1.550 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.598 -11.307 -0.732 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -0.480 -9.099 -2.681 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.254 -13.354 -0.924 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.826 -11.144 -2.873 1.00 0.00 H new ATOM 0 HZ PHE A 75 -0.959 -13.277 -2.002 1.00 0.00 H new ATOM 1122 N SER A 76 3.210 -6.718 -4.182 1.00 0.00 N ATOM 1123 CA SER A 76 3.462 -5.323 -4.526 1.00 0.00 C ATOM 1124 C SER A 76 2.187 -4.494 -4.404 1.00 0.00 C ATOM 1125 O SER A 76 1.167 -4.809 -5.018 1.00 0.00 O ATOM 1126 CB SER A 76 4.018 -5.219 -5.948 1.00 0.00 C ATOM 1127 OG SER A 76 5.135 -6.073 -6.123 1.00 0.00 O ATOM 0 H SER A 76 2.995 -7.317 -4.979 1.00 0.00 H new ATOM 0 HA SER A 76 4.199 -4.929 -3.826 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.240 -5.481 -6.666 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.308 -4.189 -6.154 1.00 0.00 H new ATOM 0 HG SER A 76 5.857 -5.794 -5.522 1.00 0.00 H new ATOM 1133 N LEU A 77 2.253 -3.434 -3.606 1.00 0.00 N ATOM 1134 CA LEU A 77 1.105 -2.558 -3.402 1.00 0.00 C ATOM 1135 C LEU A 77 1.357 -1.180 -4.006 1.00 0.00 C ATOM 1136 O LEU A 77 1.939 -0.307 -3.364 1.00 0.00 O ATOM 1137 CB LEU A 77 0.799 -2.425 -1.909 1.00 0.00 C ATOM 1138 CG LEU A 77 -0.139 -3.479 -1.320 1.00 0.00 C ATOM 1139 CD1 LEU A 77 0.628 -4.749 -0.986 1.00 0.00 C ATOM 1140 CD2 LEU A 77 -0.841 -2.936 -0.083 1.00 0.00 C ATOM 0 H LEU A 77 3.089 -3.161 -3.090 1.00 0.00 H new ATOM 0 HA LEU A 77 0.246 -3.003 -3.904 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.741 -2.459 -1.361 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.363 -1.441 -1.734 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.896 -3.722 -2.066 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.056 -5.488 -0.568 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.083 -5.148 -1.892 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.407 -4.523 -0.258 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.505 -3.699 0.323 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.098 -2.664 0.667 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.423 -2.055 -0.352 1.00 0.00 H new ATOM 1152 N ALA A 78 0.912 -0.992 -5.244 1.00 0.00 N ATOM 1153 CA ALA A 78 1.085 0.281 -5.933 1.00 0.00 C ATOM 1154 C ALA A 78 0.167 1.350 -5.351 1.00 0.00 C ATOM 1155 O ALA A 78 -1.001 1.450 -5.728 1.00 0.00 O ATOM 1156 CB ALA A 78 0.826 0.114 -7.423 1.00 0.00 C ATOM 0 H ALA A 78 0.429 -1.705 -5.790 1.00 0.00 H new ATOM 0 HA ALA A 78 2.115 0.607 -5.789 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.959 1.072 -7.925 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.527 -0.612 -7.835 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.194 -0.238 -7.578 1.00 0.00 H new ATOM 1162 N CYS A 79 0.701 2.146 -4.431 1.00 0.00 N ATOM 1163 CA CYS A 79 -0.072 3.207 -3.795 1.00 0.00 C ATOM 1164 C CYS A 79 0.202 4.552 -4.460 1.00 0.00 C ATOM 1165 O CYS A 79 1.344 5.009 -4.511 1.00 0.00 O ATOM 1166 CB CYS A 79 0.259 3.284 -2.304 1.00 0.00 C ATOM 1167 SG CYS A 79 0.190 1.693 -1.449 1.00 0.00 S ATOM 0 H CYS A 79 1.666 2.077 -4.109 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.130 2.973 -3.913 1.00 0.00 H new ATOM 0 HB2 CYS A 79 1.258 3.705 -2.186 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -0.436 3.973 -1.824 1.00 0.00 H new ATOM 0 HG CYS A 79 0.840 0.802 -2.137 1.00 0.00 H new ATOM 1173 N ILE A 80 -0.852 5.180 -4.969 1.00 0.00 N ATOM 1174 CA ILE A 80 -0.725 6.472 -5.632 1.00 0.00 C ATOM 1175 C ILE A 80 -1.669 7.500 -5.017 1.00 0.00 C ATOM 1176 O ILE A 80 -2.888 7.327 -5.033 1.00 0.00 O ATOM 1177 CB ILE A 80 -1.015 6.362 -7.140 1.00 0.00 C ATOM 1178 CG1 ILE A 80 -0.029 5.398 -7.803 1.00 0.00 C ATOM 1179 CG2 ILE A 80 -0.943 7.734 -7.794 1.00 0.00 C ATOM 1180 CD1 ILE A 80 -0.391 5.049 -9.229 1.00 0.00 C ATOM 0 H ILE A 80 -1.804 4.815 -4.935 1.00 0.00 H new ATOM 0 HA ILE A 80 0.305 6.799 -5.492 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.023 5.969 -7.273 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.966 5.842 -7.788 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.022 4.482 -7.215 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -1.150 7.640 -8.860 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.681 8.394 -7.338 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.054 8.152 -7.654 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.352 4.362 -9.635 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.373 4.576 -9.250 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.413 5.957 -9.831 1.00 0.00 H new ATOM 1192 N LEU A 81 -1.098 8.572 -4.478 1.00 0.00 N ATOM 1193 CA LEU A 81 -1.888 9.630 -3.860 1.00 0.00 C ATOM 1194 C LEU A 81 -2.333 10.655 -4.898 1.00 0.00 C ATOM 1195 O LEU A 81 -1.532 11.422 -5.433 1.00 0.00 O ATOM 1196 CB LEU A 81 -1.080 10.320 -2.759 1.00 0.00 C ATOM 1197 CG LEU A 81 -0.425 9.399 -1.730 1.00 0.00 C ATOM 1198 CD1 LEU A 81 0.489 10.192 -0.809 1.00 0.00 C ATOM 1199 CD2 LEU A 81 -1.484 8.659 -0.925 1.00 0.00 C ATOM 0 H LEU A 81 -0.091 8.731 -4.457 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.776 9.176 -3.421 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.300 10.919 -3.229 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.738 11.011 -2.232 1.00 0.00 H new ATOM 0 HG LEU A 81 0.178 8.663 -2.262 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.946 9.520 -0.083 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.269 10.675 -1.398 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.092 10.951 -0.285 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.999 8.008 -0.197 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.114 9.380 -0.404 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.098 8.059 -1.596 1.00 0.00 H new ATOM 1211 N PRO A 82 -3.642 10.671 -5.191 1.00 0.00 N ATOM 1212 CA PRO A 82 -4.224 11.599 -6.165 1.00 0.00 C ATOM 1213 C PRO A 82 -4.217 13.041 -5.669 1.00 0.00 C ATOM 1214 O PRO A 82 -3.771 13.323 -4.556 1.00 0.00 O ATOM 1215 CB PRO A 82 -5.661 11.095 -6.321 1.00 0.00 C ATOM 1216 CG PRO A 82 -5.956 10.390 -5.042 1.00 0.00 C ATOM 1217 CD PRO A 82 -4.655 9.786 -4.592 1.00 0.00 C ATOM 0 HA PRO A 82 -3.660 11.617 -7.098 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -6.354 11.920 -6.487 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -5.754 10.423 -7.174 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -6.344 11.083 -4.295 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -6.714 9.620 -5.187 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.577 9.764 -3.505 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -4.547 8.759 -4.940 1.00 0.00 H new ATOM 1225 N PHE A 83 -4.715 13.951 -6.500 1.00 0.00 N ATOM 1226 CA PHE A 83 -4.765 15.364 -6.145 1.00 0.00 C ATOM 1227 C PHE A 83 -5.991 15.666 -5.288 1.00 0.00 C ATOM 1228 O PHE A 83 -6.432 16.812 -5.197 1.00 0.00 O ATOM 1229 CB PHE A 83 -4.786 16.228 -7.407 1.00 0.00 C ATOM 1230 CG PHE A 83 -3.453 16.317 -8.095 1.00 0.00 C ATOM 1231 CD1 PHE A 83 -2.698 15.178 -8.320 1.00 0.00 C ATOM 1232 CD2 PHE A 83 -2.956 17.541 -8.515 1.00 0.00 C ATOM 1233 CE1 PHE A 83 -1.471 15.256 -8.953 1.00 0.00 C ATOM 1234 CE2 PHE A 83 -1.730 17.625 -9.148 1.00 0.00 C ATOM 1235 CZ PHE A 83 -0.986 16.482 -9.366 1.00 0.00 C ATOM 0 H PHE A 83 -5.090 13.735 -7.424 1.00 0.00 H new ATOM 0 HA PHE A 83 -3.872 15.600 -5.566 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -5.519 15.822 -8.104 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -5.118 17.232 -7.145 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.072 14.218 -7.997 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -3.533 18.438 -8.346 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -0.893 14.360 -9.124 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -1.354 18.584 -9.472 1.00 0.00 H new ATOM 0 HZ PHE A 83 -0.027 16.546 -9.858 1.00 0.00 H new ATOM 1245 N LYS A 84 -6.537 14.630 -4.661 1.00 0.00 N ATOM 1246 CA LYS A 84 -7.712 14.782 -3.811 1.00 0.00 C ATOM 1247 C LYS A 84 -7.378 14.455 -2.359 1.00 0.00 C ATOM 1248 O LYS A 84 -7.685 15.229 -1.452 1.00 0.00 O ATOM 1249 CB LYS A 84 -8.843 13.875 -4.301 1.00 0.00 C ATOM 1250 CG LYS A 84 -9.009 13.873 -5.811 1.00 0.00 C ATOM 1251 CD LYS A 84 -9.984 14.946 -6.266 1.00 0.00 C ATOM 1252 CE LYS A 84 -9.857 15.219 -7.757 1.00 0.00 C ATOM 1253 NZ LYS A 84 -10.467 16.523 -8.136 1.00 0.00 N ATOM 0 H LYS A 84 -6.184 13.675 -4.725 1.00 0.00 H new ATOM 0 HA LYS A 84 -8.038 15.821 -3.867 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -8.653 12.856 -3.963 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -9.778 14.194 -3.841 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -8.041 14.035 -6.285 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -9.364 12.895 -6.138 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -11.003 14.633 -6.038 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -9.800 15.865 -5.710 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -8.804 15.215 -8.038 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -10.339 14.417 -8.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -10.360 16.672 -9.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -11.478 16.518 -7.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -9.990 17.292 -7.623 1.00 0.00 H new ATOM 1267 N TYR A 85 -6.747 13.306 -2.146 1.00 0.00 N ATOM 1268 CA TYR A 85 -6.372 12.877 -0.803 1.00 0.00 C ATOM 1269 C TYR A 85 -6.162 14.078 0.114 1.00 0.00 C ATOM 1270 O TYR A 85 -5.616 15.108 -0.284 1.00 0.00 O ATOM 1271 CB TYR A 85 -5.099 12.031 -0.853 1.00 0.00 C ATOM 1272 CG TYR A 85 -5.035 10.971 0.223 1.00 0.00 C ATOM 1273 CD1 TYR A 85 -6.086 10.083 0.415 1.00 0.00 C ATOM 1274 CD2 TYR A 85 -3.923 10.857 1.049 1.00 0.00 C ATOM 1275 CE1 TYR A 85 -6.033 9.113 1.397 1.00 0.00 C ATOM 1276 CE2 TYR A 85 -3.860 9.889 2.033 1.00 0.00 C ATOM 1277 CZ TYR A 85 -4.917 9.020 2.203 1.00 0.00 C ATOM 1278 OH TYR A 85 -4.859 8.055 3.183 1.00 0.00 O ATOM 0 H TYR A 85 -6.484 12.655 -2.886 1.00 0.00 H new ATOM 0 HA TYR A 85 -7.186 12.274 -0.401 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -5.030 11.551 -1.829 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -4.233 12.686 -0.758 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -6.960 10.152 -0.215 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -3.094 11.537 0.919 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -6.860 8.432 1.533 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -2.988 9.813 2.665 1.00 0.00 H new ATOM 0 HH TYR A 85 -3.926 7.791 3.328 1.00 0.00 H new ATOM 1288 N PRO A 86 -6.606 13.945 1.372 1.00 0.00 N ATOM 1289 CA PRO A 86 -7.258 12.724 1.857 1.00 0.00 C ATOM 1290 C PRO A 86 -8.640 12.523 1.244 1.00 0.00 C ATOM 1291 O PRO A 86 -9.255 11.470 1.409 1.00 0.00 O ATOM 1292 CB PRO A 86 -7.370 12.957 3.365 1.00 0.00 C ATOM 1293 CG PRO A 86 -7.379 14.438 3.521 1.00 0.00 C ATOM 1294 CD PRO A 86 -6.506 14.975 2.420 1.00 0.00 C ATOM 0 HA PRO A 86 -6.696 11.828 1.591 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -8.279 12.511 3.768 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -6.532 12.508 3.898 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -8.392 14.833 3.443 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -6.997 14.730 4.499 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -6.857 15.944 2.066 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -5.477 15.111 2.753 1.00 0.00 H new ATOM 1302 N ALA A 87 -9.122 13.539 0.536 1.00 0.00 N ATOM 1303 CA ALA A 87 -10.430 13.472 -0.103 1.00 0.00 C ATOM 1304 C ALA A 87 -10.743 12.053 -0.566 1.00 0.00 C ATOM 1305 O ALA A 87 -11.522 11.341 0.066 1.00 0.00 O ATOM 1306 CB ALA A 87 -10.495 14.439 -1.276 1.00 0.00 C ATOM 0 H ALA A 87 -8.626 14.418 0.391 1.00 0.00 H new ATOM 0 HA ALA A 87 -11.181 13.760 0.632 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -11.478 14.378 -1.744 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -10.325 15.455 -0.920 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -9.729 14.178 -2.006 1.00 0.00 H new ATOM 1312 N VAL A 88 -10.131 11.649 -1.675 1.00 0.00 N ATOM 1313 CA VAL A 88 -10.344 10.315 -2.223 1.00 0.00 C ATOM 1314 C VAL A 88 -9.207 9.375 -1.838 1.00 0.00 C ATOM 1315 O VAL A 88 -8.032 9.698 -2.017 1.00 0.00 O ATOM 1316 CB VAL A 88 -10.467 10.352 -3.758 1.00 0.00 C ATOM 1317 CG1 VAL A 88 -11.328 11.527 -4.196 1.00 0.00 C ATOM 1318 CG2 VAL A 88 -9.090 10.420 -4.401 1.00 0.00 C ATOM 0 H VAL A 88 -9.484 12.227 -2.211 1.00 0.00 H new ATOM 0 HA VAL A 88 -11.278 9.944 -1.800 1.00 0.00 H new ATOM 0 HB VAL A 88 -10.952 9.434 -4.089 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -11.404 11.537 -5.283 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -12.324 11.429 -3.764 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -10.874 12.458 -3.855 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -9.196 10.445 -5.486 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -8.576 11.321 -4.065 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -8.510 9.543 -4.113 1.00 0.00 H new ATOM 1328 N LEU A 89 -9.564 8.210 -1.308 1.00 0.00 N ATOM 1329 CA LEU A 89 -8.574 7.221 -0.897 1.00 0.00 C ATOM 1330 C LEU A 89 -7.537 7.000 -1.994 1.00 0.00 C ATOM 1331 O LEU A 89 -7.778 7.265 -3.172 1.00 0.00 O ATOM 1332 CB LEU A 89 -9.259 5.897 -0.552 1.00 0.00 C ATOM 1333 CG LEU A 89 -10.001 5.854 0.784 1.00 0.00 C ATOM 1334 CD1 LEU A 89 -10.782 4.555 0.918 1.00 0.00 C ATOM 1335 CD2 LEU A 89 -9.027 6.015 1.941 1.00 0.00 C ATOM 0 H LEU A 89 -10.532 7.927 -1.153 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.064 7.600 -0.012 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -9.967 5.660 -1.346 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -8.505 5.110 -0.552 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.707 6.684 0.813 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -11.304 4.541 1.875 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -11.507 4.481 0.108 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.095 3.710 0.868 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -9.573 5.982 2.884 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -8.296 5.207 1.917 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -8.513 6.972 1.853 1.00 0.00 H new ATOM 1347 N PRO A 90 -6.356 6.501 -1.600 1.00 0.00 N ATOM 1348 CA PRO A 90 -5.260 6.230 -2.536 1.00 0.00 C ATOM 1349 C PRO A 90 -5.561 5.053 -3.457 1.00 0.00 C ATOM 1350 O PRO A 90 -6.374 4.189 -3.128 1.00 0.00 O ATOM 1351 CB PRO A 90 -4.082 5.902 -1.615 1.00 0.00 C ATOM 1352 CG PRO A 90 -4.710 5.404 -0.359 1.00 0.00 C ATOM 1353 CD PRO A 90 -6.000 6.162 -0.212 1.00 0.00 C ATOM 0 HA PRO A 90 -5.076 7.072 -3.204 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.431 5.148 -2.058 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -3.468 6.783 -1.428 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -4.892 4.331 -0.413 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -4.058 5.574 0.498 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -6.771 5.555 0.264 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -5.874 7.055 0.400 1.00 0.00 H new ATOM 1361 N GLU A 91 -4.901 5.026 -4.610 1.00 0.00 N ATOM 1362 CA GLU A 91 -5.100 3.954 -5.578 1.00 0.00 C ATOM 1363 C GLU A 91 -4.116 2.813 -5.336 1.00 0.00 C ATOM 1364 O GLU A 91 -3.118 2.679 -6.045 1.00 0.00 O ATOM 1365 CB GLU A 91 -4.938 4.487 -7.003 1.00 0.00 C ATOM 1366 CG GLU A 91 -6.067 5.405 -7.442 1.00 0.00 C ATOM 1367 CD GLU A 91 -7.410 4.701 -7.478 1.00 0.00 C ATOM 1368 OE1 GLU A 91 -7.732 4.089 -8.517 1.00 0.00 O ATOM 1369 OE2 GLU A 91 -8.139 4.763 -6.465 1.00 0.00 O ATOM 0 H GLU A 91 -4.224 5.733 -4.897 1.00 0.00 H new ATOM 0 HA GLU A 91 -6.113 3.571 -5.454 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -3.994 5.027 -7.075 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -4.877 3.645 -7.692 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -6.125 6.255 -6.762 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.843 5.803 -8.432 1.00 0.00 H new ATOM 1376 N ILE A 92 -4.405 1.994 -4.330 1.00 0.00 N ATOM 1377 CA ILE A 92 -3.547 0.865 -3.994 1.00 0.00 C ATOM 1378 C ILE A 92 -3.865 -0.345 -4.866 1.00 0.00 C ATOM 1379 O ILE A 92 -4.892 -1.001 -4.689 1.00 0.00 O ATOM 1380 CB ILE A 92 -3.692 0.468 -2.513 1.00 0.00 C ATOM 1381 CG1 ILE A 92 -3.464 1.683 -1.612 1.00 0.00 C ATOM 1382 CG2 ILE A 92 -2.717 -0.647 -2.165 1.00 0.00 C ATOM 1383 CD1 ILE A 92 -4.029 1.517 -0.219 1.00 0.00 C ATOM 0 H ILE A 92 -5.227 2.092 -3.734 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.521 1.183 -4.177 1.00 0.00 H new ATOM 0 HB ILE A 92 -4.705 0.102 -2.348 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.394 1.876 -1.540 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.916 2.559 -2.076 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -2.832 -0.916 -1.115 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -2.923 -1.518 -2.787 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.697 -0.307 -2.343 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -3.830 2.417 0.364 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -5.105 1.354 -0.280 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.559 0.660 0.264 1.00 0.00 H new ATOM 1395 N THR A 93 -2.975 -0.638 -5.810 1.00 0.00 N ATOM 1396 CA THR A 93 -3.159 -1.769 -6.710 1.00 0.00 C ATOM 1397 C THR A 93 -2.281 -2.946 -6.300 1.00 0.00 C ATOM 1398 O THR A 93 -1.061 -2.908 -6.456 1.00 0.00 O ATOM 1399 CB THR A 93 -2.837 -1.386 -8.167 1.00 0.00 C ATOM 1400 OG1 THR A 93 -3.673 -0.302 -8.585 1.00 0.00 O ATOM 1401 CG2 THR A 93 -3.037 -2.575 -9.095 1.00 0.00 C ATOM 0 H THR A 93 -2.119 -0.107 -5.970 1.00 0.00 H new ATOM 0 HA THR A 93 -4.207 -2.060 -6.642 1.00 0.00 H new ATOM 0 HB THR A 93 -1.793 -1.078 -8.216 1.00 0.00 H new ATOM 0 HG1 THR A 93 -3.461 -0.064 -9.512 1.00 0.00 H new ATOM 0 HG21 THR A 93 -2.804 -2.281 -10.118 1.00 0.00 H new ATOM 0 HG22 THR A 93 -2.378 -3.388 -8.792 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.073 -2.909 -9.041 1.00 0.00 H new ATOM 1409 N VAL A 94 -2.911 -3.993 -5.776 1.00 0.00 N ATOM 1410 CA VAL A 94 -2.187 -5.183 -5.345 1.00 0.00 C ATOM 1411 C VAL A 94 -1.877 -6.096 -6.526 1.00 0.00 C ATOM 1412 O VAL A 94 -2.749 -6.384 -7.346 1.00 0.00 O ATOM 1413 CB VAL A 94 -2.985 -5.976 -4.293 1.00 0.00 C ATOM 1414 CG1 VAL A 94 -2.162 -7.140 -3.763 1.00 0.00 C ATOM 1415 CG2 VAL A 94 -3.425 -5.062 -3.159 1.00 0.00 C ATOM 0 H VAL A 94 -3.921 -4.041 -5.640 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.253 -4.840 -4.899 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.878 -6.382 -4.769 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -2.743 -7.688 -3.021 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -1.903 -7.807 -4.586 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -1.250 -6.761 -3.302 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.988 -5.638 -2.425 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.547 -4.625 -2.682 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.056 -4.267 -3.556 1.00 0.00 H new ATOM 1425 N ARG A 95 -0.630 -6.549 -6.606 1.00 0.00 N ATOM 1426 CA ARG A 95 -0.205 -7.429 -7.688 1.00 0.00 C ATOM 1427 C ARG A 95 0.557 -8.633 -7.142 1.00 0.00 C ATOM 1428 O ARG A 95 1.219 -8.544 -6.108 1.00 0.00 O ATOM 1429 CB ARG A 95 0.672 -6.665 -8.681 1.00 0.00 C ATOM 1430 CG ARG A 95 -0.120 -5.852 -9.693 1.00 0.00 C ATOM 1431 CD ARG A 95 -0.862 -6.751 -10.671 1.00 0.00 C ATOM 1432 NE ARG A 95 -1.169 -6.062 -11.921 1.00 0.00 N ATOM 1433 CZ ARG A 95 -1.611 -6.680 -13.011 1.00 0.00 C ATOM 1434 NH1 ARG A 95 -1.797 -7.993 -13.003 1.00 0.00 N ATOM 1435 NH2 ARG A 95 -1.869 -5.984 -14.111 1.00 0.00 N ATOM 0 H ARG A 95 0.103 -6.321 -5.935 1.00 0.00 H new ATOM 0 HA ARG A 95 -1.097 -7.787 -8.202 1.00 0.00 H new ATOM 0 HB2 ARG A 95 1.334 -5.997 -8.129 1.00 0.00 H new ATOM 0 HB3 ARG A 95 1.306 -7.374 -9.213 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -0.833 -5.214 -9.171 1.00 0.00 H new ATOM 0 HG3 ARG A 95 0.555 -5.194 -10.241 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -0.258 -7.634 -10.882 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -1.787 -7.100 -10.213 1.00 0.00 H new ATOM 0 HE ARG A 95 -1.037 -5.051 -11.960 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -1.601 -8.531 -12.159 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -2.136 -8.465 -13.841 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -1.728 -4.974 -14.120 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -2.208 -6.459 -14.947 1.00 0.00 H new ATOM 1449 N SER A 96 0.458 -9.758 -7.843 1.00 0.00 N ATOM 1450 CA SER A 96 1.134 -10.980 -7.426 1.00 0.00 C ATOM 1451 C SER A 96 1.004 -12.064 -8.493 1.00 0.00 C ATOM 1452 O SER A 96 -0.076 -12.285 -9.041 1.00 0.00 O ATOM 1453 CB SER A 96 0.556 -11.482 -6.101 1.00 0.00 C ATOM 1454 OG SER A 96 1.174 -12.692 -5.701 1.00 0.00 O ATOM 0 H SER A 96 -0.084 -9.848 -8.702 1.00 0.00 H new ATOM 0 HA SER A 96 2.191 -10.752 -7.290 1.00 0.00 H new ATOM 0 HB2 SER A 96 0.697 -10.725 -5.329 1.00 0.00 H new ATOM 0 HB3 SER A 96 -0.518 -11.635 -6.204 1.00 0.00 H new ATOM 0 HG SER A 96 0.788 -12.991 -4.851 1.00 0.00 H new ATOM 1460 N VAL A 97 2.113 -12.736 -8.782 1.00 0.00 N ATOM 1461 CA VAL A 97 2.125 -13.797 -9.782 1.00 0.00 C ATOM 1462 C VAL A 97 1.242 -14.965 -9.355 1.00 0.00 C ATOM 1463 O VAL A 97 0.635 -15.636 -10.191 1.00 0.00 O ATOM 1464 CB VAL A 97 3.554 -14.315 -10.034 1.00 0.00 C ATOM 1465 CG1 VAL A 97 3.991 -15.246 -8.914 1.00 0.00 C ATOM 1466 CG2 VAL A 97 3.636 -15.014 -11.383 1.00 0.00 C ATOM 0 H VAL A 97 3.015 -12.565 -8.338 1.00 0.00 H new ATOM 0 HA VAL A 97 1.734 -13.367 -10.704 1.00 0.00 H new ATOM 0 HB VAL A 97 4.233 -13.463 -10.050 1.00 0.00 H new ATOM 0 HG11 VAL A 97 5.003 -15.601 -9.110 1.00 0.00 H new ATOM 0 HG12 VAL A 97 3.973 -14.708 -7.966 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.311 -16.097 -8.862 1.00 0.00 H new ATOM 0 HG21 VAL A 97 4.652 -15.374 -11.545 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.946 -15.857 -11.398 1.00 0.00 H new ATOM 0 HG23 VAL A 97 3.369 -14.312 -12.173 1.00 0.00 H new ATOM 1476 N LEU A 98 1.173 -15.201 -8.050 1.00 0.00 N ATOM 1477 CA LEU A 98 0.363 -16.287 -7.510 1.00 0.00 C ATOM 1478 C LEU A 98 -1.121 -16.034 -7.757 1.00 0.00 C ATOM 1479 O LEU A 98 -1.861 -16.942 -8.141 1.00 0.00 O ATOM 1480 CB LEU A 98 0.622 -16.447 -6.011 1.00 0.00 C ATOM 1481 CG LEU A 98 2.089 -16.530 -5.589 1.00 0.00 C ATOM 1482 CD1 LEU A 98 2.203 -16.979 -4.140 1.00 0.00 C ATOM 1483 CD2 LEU A 98 2.855 -17.475 -6.503 1.00 0.00 C ATOM 0 H LEU A 98 1.669 -14.655 -7.346 1.00 0.00 H new ATOM 0 HA LEU A 98 0.646 -17.207 -8.021 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.162 -15.606 -5.491 1.00 0.00 H new ATOM 0 HB3 LEU A 98 0.115 -17.349 -5.669 1.00 0.00 H new ATOM 0 HG LEU A 98 2.529 -15.536 -5.676 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.254 -17.032 -3.857 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.690 -16.265 -3.496 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.747 -17.962 -4.027 1.00 0.00 H new ATOM 0 HD21 LEU A 98 3.897 -17.521 -6.187 1.00 0.00 H new ATOM 0 HD22 LEU A 98 2.415 -18.471 -6.448 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.803 -17.111 -7.529 1.00 0.00 H new ATOM 1495 N LEU A 99 -1.549 -14.796 -7.538 1.00 0.00 N ATOM 1496 CA LEU A 99 -2.945 -14.423 -7.739 1.00 0.00 C ATOM 1497 C LEU A 99 -3.299 -14.418 -9.222 1.00 0.00 C ATOM 1498 O LEU A 99 -2.521 -13.953 -10.055 1.00 0.00 O ATOM 1499 CB LEU A 99 -3.217 -13.044 -7.134 1.00 0.00 C ATOM 1500 CG LEU A 99 -3.089 -12.942 -5.613 1.00 0.00 C ATOM 1501 CD1 LEU A 99 -2.979 -11.487 -5.184 1.00 0.00 C ATOM 1502 CD2 LEU A 99 -4.274 -13.612 -4.933 1.00 0.00 C ATOM 0 H LEU A 99 -0.950 -14.034 -7.221 1.00 0.00 H new ATOM 0 HA LEU A 99 -3.569 -15.163 -7.238 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.529 -12.329 -7.585 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.225 -12.738 -7.415 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.180 -13.460 -5.308 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.889 -11.433 -4.099 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.099 -11.038 -5.644 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.870 -10.946 -5.501 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.167 -13.530 -3.851 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -5.197 -13.122 -5.244 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -4.308 -14.664 -5.216 1.00 0.00 H new ATOM 1514 N SER A 100 -4.479 -14.937 -9.545 1.00 0.00 N ATOM 1515 CA SER A 100 -4.937 -14.995 -10.929 1.00 0.00 C ATOM 1516 C SER A 100 -5.574 -13.673 -11.346 1.00 0.00 C ATOM 1517 O SER A 100 -6.100 -12.935 -10.513 1.00 0.00 O ATOM 1518 CB SER A 100 -5.939 -16.136 -11.110 1.00 0.00 C ATOM 1519 OG SER A 100 -6.186 -16.385 -12.483 1.00 0.00 O ATOM 0 H SER A 100 -5.136 -15.324 -8.867 1.00 0.00 H new ATOM 0 HA SER A 100 -4.071 -15.178 -11.565 1.00 0.00 H new ATOM 0 HB2 SER A 100 -5.555 -17.040 -10.637 1.00 0.00 H new ATOM 0 HB3 SER A 100 -6.874 -15.886 -10.609 1.00 0.00 H new ATOM 0 HG SER A 100 -6.828 -17.120 -12.572 1.00 0.00 H new ATOM 1525 N ARG A 101 -5.521 -13.380 -12.641 1.00 0.00 N ATOM 1526 CA ARG A 101 -6.092 -12.147 -13.170 1.00 0.00 C ATOM 1527 C ARG A 101 -7.486 -11.904 -12.599 1.00 0.00 C ATOM 1528 O ARG A 101 -7.882 -10.763 -12.366 1.00 0.00 O ATOM 1529 CB ARG A 101 -6.157 -12.204 -14.697 1.00 0.00 C ATOM 1530 CG ARG A 101 -7.023 -13.335 -15.228 1.00 0.00 C ATOM 1531 CD ARG A 101 -7.223 -13.225 -16.731 1.00 0.00 C ATOM 1532 NE ARG A 101 -8.313 -12.315 -17.073 1.00 0.00 N ATOM 1533 CZ ARG A 101 -8.466 -11.771 -18.275 1.00 0.00 C ATOM 1534 NH1 ARG A 101 -7.604 -12.043 -19.245 1.00 0.00 N ATOM 1535 NH2 ARG A 101 -9.484 -10.952 -18.509 1.00 0.00 N ATOM 0 H ARG A 101 -5.088 -13.980 -13.344 1.00 0.00 H new ATOM 0 HA ARG A 101 -5.447 -11.320 -12.871 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -6.543 -11.256 -15.071 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -5.147 -12.315 -15.091 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -6.559 -14.292 -14.991 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -7.992 -13.318 -14.729 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -6.300 -12.876 -17.195 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -7.433 -14.213 -17.142 1.00 0.00 H new ATOM 0 HE ARG A 101 -8.994 -12.085 -16.349 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -6.820 -12.672 -19.069 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -7.725 -11.623 -20.167 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -10.149 -10.740 -17.766 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -9.601 -10.535 -19.432 1.00 0.00 H new ATOM 1549 N SER A 102 -8.225 -12.986 -12.376 1.00 0.00 N ATOM 1550 CA SER A 102 -9.576 -12.891 -11.837 1.00 0.00 C ATOM 1551 C SER A 102 -9.545 -12.647 -10.331 1.00 0.00 C ATOM 1552 O SER A 102 -10.140 -11.691 -9.835 1.00 0.00 O ATOM 1553 CB SER A 102 -10.361 -14.169 -12.142 1.00 0.00 C ATOM 1554 OG SER A 102 -10.707 -14.240 -13.514 1.00 0.00 O ATOM 0 H SER A 102 -7.911 -13.939 -12.560 1.00 0.00 H new ATOM 0 HA SER A 102 -10.072 -12.046 -12.314 1.00 0.00 H new ATOM 0 HB2 SER A 102 -9.765 -15.040 -11.869 1.00 0.00 H new ATOM 0 HB3 SER A 102 -11.265 -14.198 -11.534 1.00 0.00 H new ATOM 0 HG SER A 102 -11.206 -15.066 -13.683 1.00 0.00 H new ATOM 1560 N GLN A 103 -8.845 -13.519 -9.612 1.00 0.00 N ATOM 1561 CA GLN A 103 -8.736 -13.398 -8.163 1.00 0.00 C ATOM 1562 C GLN A 103 -8.245 -12.010 -7.767 1.00 0.00 C ATOM 1563 O GLN A 103 -8.894 -11.311 -6.990 1.00 0.00 O ATOM 1564 CB GLN A 103 -7.787 -14.464 -7.611 1.00 0.00 C ATOM 1565 CG GLN A 103 -8.465 -15.794 -7.326 1.00 0.00 C ATOM 1566 CD GLN A 103 -9.069 -15.854 -5.936 1.00 0.00 C ATOM 1567 OE1 GLN A 103 -8.418 -15.511 -4.949 1.00 0.00 O ATOM 1568 NE2 GLN A 103 -10.319 -16.292 -5.852 1.00 0.00 N ATOM 0 H GLN A 103 -8.346 -14.315 -10.008 1.00 0.00 H new ATOM 0 HA GLN A 103 -9.728 -13.548 -7.736 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -6.979 -14.623 -8.325 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -7.333 -14.093 -6.692 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -9.247 -15.965 -8.066 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -7.739 -16.599 -7.438 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -10.821 -16.566 -6.696 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -10.777 -16.355 -4.943 1.00 0.00 H new ATOM 1577 N GLN A 104 -7.096 -11.618 -8.307 1.00 0.00 N ATOM 1578 CA GLN A 104 -6.518 -10.313 -8.008 1.00 0.00 C ATOM 1579 C GLN A 104 -7.599 -9.239 -7.953 1.00 0.00 C ATOM 1580 O GLN A 104 -7.714 -8.507 -6.968 1.00 0.00 O ATOM 1581 CB GLN A 104 -5.469 -9.943 -9.059 1.00 0.00 C ATOM 1582 CG GLN A 104 -4.745 -8.640 -8.763 1.00 0.00 C ATOM 1583 CD GLN A 104 -4.001 -8.672 -7.443 1.00 0.00 C ATOM 1584 OE1 GLN A 104 -2.847 -9.099 -7.377 1.00 0.00 O ATOM 1585 NE2 GLN A 104 -4.658 -8.220 -6.381 1.00 0.00 N ATOM 0 H GLN A 104 -6.547 -12.185 -8.953 1.00 0.00 H new ATOM 0 HA GLN A 104 -6.039 -10.371 -7.031 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -4.737 -10.748 -9.129 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -5.953 -9.867 -10.033 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -4.040 -8.430 -9.568 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -5.466 -7.823 -8.749 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -5.613 -7.875 -6.481 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -4.208 -8.218 -5.466 1.00 0.00 H new ATOM 1594 N THR A 105 -8.391 -9.148 -9.017 1.00 0.00 N ATOM 1595 CA THR A 105 -9.463 -8.162 -9.090 1.00 0.00 C ATOM 1596 C THR A 105 -10.266 -8.125 -7.795 1.00 0.00 C ATOM 1597 O THR A 105 -10.320 -7.100 -7.117 1.00 0.00 O ATOM 1598 CB THR A 105 -10.416 -8.455 -10.264 1.00 0.00 C ATOM 1599 OG1 THR A 105 -9.686 -8.473 -11.495 1.00 0.00 O ATOM 1600 CG2 THR A 105 -11.520 -7.411 -10.338 1.00 0.00 C ATOM 0 H THR A 105 -8.310 -9.745 -9.840 1.00 0.00 H new ATOM 0 HA THR A 105 -8.990 -7.193 -9.248 1.00 0.00 H new ATOM 0 HB THR A 105 -10.871 -9.431 -10.098 1.00 0.00 H new ATOM 0 HG1 THR A 105 -9.200 -9.320 -11.575 1.00 0.00 H new ATOM 0 HG21 THR A 105 -12.181 -7.639 -11.175 1.00 0.00 H new ATOM 0 HG22 THR A 105 -12.093 -7.421 -9.411 1.00 0.00 H new ATOM 0 HG23 THR A 105 -11.079 -6.425 -10.482 1.00 0.00 H new ATOM 1608 N GLN A 106 -10.887 -9.251 -7.457 1.00 0.00 N ATOM 1609 CA GLN A 106 -11.687 -9.346 -6.242 1.00 0.00 C ATOM 1610 C GLN A 106 -10.912 -8.824 -5.037 1.00 0.00 C ATOM 1611 O GLN A 106 -11.377 -7.934 -4.324 1.00 0.00 O ATOM 1612 CB GLN A 106 -12.115 -10.794 -6.000 1.00 0.00 C ATOM 1613 CG GLN A 106 -12.878 -10.994 -4.700 1.00 0.00 C ATOM 1614 CD GLN A 106 -14.176 -10.212 -4.659 1.00 0.00 C ATOM 1615 OE1 GLN A 106 -15.254 -10.763 -4.880 1.00 0.00 O ATOM 1616 NE2 GLN A 106 -14.078 -8.918 -4.375 1.00 0.00 N ATOM 0 H GLN A 106 -10.851 -10.109 -8.007 1.00 0.00 H new ATOM 0 HA GLN A 106 -12.576 -8.729 -6.374 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -12.738 -11.124 -6.832 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -11.229 -11.430 -5.993 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -13.093 -12.055 -4.569 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -12.249 -10.690 -3.863 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -13.163 -8.502 -4.198 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -14.917 -8.340 -4.333 1.00 0.00 H new ATOM 1625 N LEU A 107 -9.727 -9.383 -4.815 1.00 0.00 N ATOM 1626 CA LEU A 107 -8.886 -8.974 -3.695 1.00 0.00 C ATOM 1627 C LEU A 107 -8.876 -7.456 -3.548 1.00 0.00 C ATOM 1628 O LEU A 107 -9.273 -6.920 -2.515 1.00 0.00 O ATOM 1629 CB LEU A 107 -7.459 -9.489 -3.890 1.00 0.00 C ATOM 1630 CG LEU A 107 -6.478 -9.192 -2.754 1.00 0.00 C ATOM 1631 CD1 LEU A 107 -5.391 -10.254 -2.697 1.00 0.00 C ATOM 1632 CD2 LEU A 107 -5.867 -7.809 -2.926 1.00 0.00 C ATOM 0 H LEU A 107 -9.327 -10.120 -5.395 1.00 0.00 H new ATOM 0 HA LEU A 107 -9.300 -9.406 -2.784 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -7.500 -10.569 -4.035 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -7.061 -9.059 -4.809 1.00 0.00 H new ATOM 0 HG LEU A 107 -7.025 -9.211 -1.812 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -4.702 -10.027 -1.883 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -5.845 -11.230 -2.526 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -4.846 -10.267 -3.641 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -5.172 -7.614 -2.109 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -5.334 -7.762 -3.875 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -6.657 -7.058 -2.917 1.00 0.00 H new ATOM 1644 N ASN A 108 -8.420 -6.769 -4.590 1.00 0.00 N ATOM 1645 CA ASN A 108 -8.359 -5.312 -4.578 1.00 0.00 C ATOM 1646 C ASN A 108 -9.693 -4.715 -4.140 1.00 0.00 C ATOM 1647 O ASN A 108 -9.747 -3.885 -3.231 1.00 0.00 O ATOM 1648 CB ASN A 108 -7.983 -4.784 -5.964 1.00 0.00 C ATOM 1649 CG ASN A 108 -6.483 -4.773 -6.190 1.00 0.00 C ATOM 1650 OD1 ASN A 108 -5.717 -4.335 -5.332 1.00 0.00 O ATOM 1651 ND2 ASN A 108 -6.057 -5.256 -7.352 1.00 0.00 N ATOM 0 H ASN A 108 -8.087 -7.198 -5.454 1.00 0.00 H new ATOM 0 HA ASN A 108 -7.594 -5.012 -3.862 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -8.458 -5.401 -6.726 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -8.373 -3.773 -6.083 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -5.059 -5.274 -7.562 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -6.728 -5.609 -8.034 1.00 0.00 H new ATOM 1658 N THR A 109 -10.770 -5.145 -4.791 1.00 0.00 N ATOM 1659 CA THR A 109 -12.104 -4.654 -4.470 1.00 0.00 C ATOM 1660 C THR A 109 -12.315 -4.582 -2.962 1.00 0.00 C ATOM 1661 O THR A 109 -12.876 -3.613 -2.450 1.00 0.00 O ATOM 1662 CB THR A 109 -13.195 -5.548 -5.088 1.00 0.00 C ATOM 1663 OG1 THR A 109 -12.929 -5.755 -6.480 1.00 0.00 O ATOM 1664 CG2 THR A 109 -14.570 -4.920 -4.917 1.00 0.00 C ATOM 0 H THR A 109 -10.744 -5.833 -5.544 1.00 0.00 H new ATOM 0 HA THR A 109 -12.183 -3.653 -4.893 1.00 0.00 H new ATOM 0 HB THR A 109 -13.184 -6.507 -4.570 1.00 0.00 H new ATOM 0 HG1 THR A 109 -13.626 -6.326 -6.865 1.00 0.00 H new ATOM 0 HG21 THR A 109 -15.324 -5.569 -5.361 1.00 0.00 H new ATOM 0 HG22 THR A 109 -14.782 -4.791 -3.856 1.00 0.00 H new ATOM 0 HG23 THR A 109 -14.591 -3.949 -5.412 1.00 0.00 H new ATOM 1672 N ASP A 110 -11.862 -5.612 -2.256 1.00 0.00 N ATOM 1673 CA ASP A 110 -12.000 -5.664 -0.806 1.00 0.00 C ATOM 1674 C ASP A 110 -11.000 -4.731 -0.131 1.00 0.00 C ATOM 1675 O ASP A 110 -11.381 -3.845 0.635 1.00 0.00 O ATOM 1676 CB ASP A 110 -11.800 -7.095 -0.304 1.00 0.00 C ATOM 1677 CG ASP A 110 -13.072 -7.918 -0.377 1.00 0.00 C ATOM 1678 OD1 ASP A 110 -13.547 -8.177 -1.502 1.00 0.00 O ATOM 1679 OD2 ASP A 110 -13.591 -8.302 0.692 1.00 0.00 O ATOM 0 H ASP A 110 -11.396 -6.422 -2.665 1.00 0.00 H new ATOM 0 HA ASP A 110 -13.007 -5.335 -0.550 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -11.023 -7.579 -0.896 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -11.446 -7.069 0.727 1.00 0.00 H new ATOM 1684 N LEU A 111 -9.720 -4.936 -0.418 1.00 0.00 N ATOM 1685 CA LEU A 111 -8.664 -4.114 0.162 1.00 0.00 C ATOM 1686 C LEU A 111 -9.115 -2.663 0.295 1.00 0.00 C ATOM 1687 O LEU A 111 -9.159 -2.114 1.396 1.00 0.00 O ATOM 1688 CB LEU A 111 -7.400 -4.190 -0.698 1.00 0.00 C ATOM 1689 CG LEU A 111 -6.375 -3.076 -0.485 1.00 0.00 C ATOM 1690 CD1 LEU A 111 -5.956 -3.008 0.975 1.00 0.00 C ATOM 1691 CD2 LEU A 111 -5.163 -3.288 -1.380 1.00 0.00 C ATOM 0 H LEU A 111 -9.388 -5.665 -1.049 1.00 0.00 H new ATOM 0 HA LEU A 111 -8.443 -4.500 1.157 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -6.912 -5.146 -0.508 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -7.698 -4.187 -1.747 1.00 0.00 H new ATOM 0 HG LEU A 111 -6.838 -2.127 -0.753 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -5.226 -2.209 1.107 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -6.830 -2.808 1.595 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -5.511 -3.958 1.271 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.444 -2.486 -1.215 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -4.699 -4.245 -1.143 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -5.477 -3.285 -2.424 1.00 0.00 H new ATOM 1703 N THR A 112 -9.451 -2.047 -0.834 1.00 0.00 N ATOM 1704 CA THR A 112 -9.900 -0.660 -0.843 1.00 0.00 C ATOM 1705 C THR A 112 -11.106 -0.467 0.068 1.00 0.00 C ATOM 1706 O THR A 112 -11.131 0.443 0.896 1.00 0.00 O ATOM 1707 CB THR A 112 -10.266 -0.198 -2.266 1.00 0.00 C ATOM 1708 OG1 THR A 112 -9.133 -0.331 -3.132 1.00 0.00 O ATOM 1709 CG2 THR A 112 -10.740 1.248 -2.261 1.00 0.00 C ATOM 0 H THR A 112 -9.421 -2.487 -1.754 1.00 0.00 H new ATOM 0 HA THR A 112 -9.070 -0.056 -0.475 1.00 0.00 H new ATOM 0 HB THR A 112 -11.077 -0.828 -2.631 1.00 0.00 H new ATOM 0 HG1 THR A 112 -9.375 -0.037 -4.035 1.00 0.00 H new ATOM 0 HG21 THR A 112 -10.993 1.552 -3.277 1.00 0.00 H new ATOM 0 HG22 THR A 112 -11.621 1.340 -1.625 1.00 0.00 H new ATOM 0 HG23 THR A 112 -9.947 1.890 -1.877 1.00 0.00 H new ATOM 1717 N ALA A 113 -12.106 -1.329 -0.090 1.00 0.00 N ATOM 1718 CA ALA A 113 -13.315 -1.254 0.721 1.00 0.00 C ATOM 1719 C ALA A 113 -12.975 -1.127 2.202 1.00 0.00 C ATOM 1720 O ALA A 113 -13.441 -0.211 2.880 1.00 0.00 O ATOM 1721 CB ALA A 113 -14.188 -2.476 0.481 1.00 0.00 C ATOM 0 H ALA A 113 -12.102 -2.087 -0.772 1.00 0.00 H new ATOM 0 HA ALA A 113 -13.868 -0.363 0.424 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -15.087 -2.407 1.093 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -14.468 -2.522 -0.571 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -13.635 -3.376 0.749 1.00 0.00 H new ATOM 1727 N PHE A 114 -12.161 -2.052 2.699 1.00 0.00 N ATOM 1728 CA PHE A 114 -11.760 -2.044 4.101 1.00 0.00 C ATOM 1729 C PHE A 114 -11.597 -0.616 4.612 1.00 0.00 C ATOM 1730 O PHE A 114 -12.282 -0.196 5.546 1.00 0.00 O ATOM 1731 CB PHE A 114 -10.452 -2.816 4.284 1.00 0.00 C ATOM 1732 CG PHE A 114 -9.678 -2.405 5.504 1.00 0.00 C ATOM 1733 CD1 PHE A 114 -10.181 -2.645 6.773 1.00 0.00 C ATOM 1734 CD2 PHE A 114 -8.449 -1.777 5.382 1.00 0.00 C ATOM 1735 CE1 PHE A 114 -9.472 -2.268 7.898 1.00 0.00 C ATOM 1736 CE2 PHE A 114 -7.735 -1.398 6.504 1.00 0.00 C ATOM 1737 CZ PHE A 114 -8.248 -1.643 7.763 1.00 0.00 C ATOM 0 H PHE A 114 -11.766 -2.817 2.152 1.00 0.00 H new ATOM 0 HA PHE A 114 -12.545 -2.531 4.680 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -10.674 -3.881 4.346 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -9.828 -2.672 3.402 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -11.138 -3.132 6.884 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -8.044 -1.581 4.400 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -9.875 -2.462 8.881 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -6.777 -0.911 6.396 1.00 0.00 H new ATOM 0 HZ PHE A 114 -7.693 -1.346 8.640 1.00 0.00 H new ATOM 1747 N LEU A 115 -10.684 0.126 3.995 1.00 0.00 N ATOM 1748 CA LEU A 115 -10.429 1.508 4.386 1.00 0.00 C ATOM 1749 C LEU A 115 -11.696 2.350 4.270 1.00 0.00 C ATOM 1750 O LEU A 115 -12.081 3.041 5.213 1.00 0.00 O ATOM 1751 CB LEU A 115 -9.323 2.109 3.517 1.00 0.00 C ATOM 1752 CG LEU A 115 -8.048 1.276 3.383 1.00 0.00 C ATOM 1753 CD1 LEU A 115 -7.348 1.579 2.067 1.00 0.00 C ATOM 1754 CD2 LEU A 115 -7.115 1.535 4.557 1.00 0.00 C ATOM 0 H LEU A 115 -10.108 -0.206 3.222 1.00 0.00 H new ATOM 0 HA LEU A 115 -10.107 1.511 5.427 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -9.726 2.283 2.519 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -9.055 3.083 3.927 1.00 0.00 H new ATOM 0 HG LEU A 115 -8.324 0.222 3.390 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.443 0.977 1.989 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -8.014 1.341 1.237 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -7.085 2.636 2.030 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -6.213 0.934 4.444 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -6.846 2.591 4.582 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -7.617 1.266 5.487 1.00 0.00 H new ATOM 1766 N GLN A 116 -12.340 2.284 3.110 1.00 0.00 N ATOM 1767 CA GLN A 116 -13.564 3.039 2.872 1.00 0.00 C ATOM 1768 C GLN A 116 -14.517 2.919 4.057 1.00 0.00 C ATOM 1769 O GLN A 116 -15.258 3.851 4.369 1.00 0.00 O ATOM 1770 CB GLN A 116 -14.253 2.547 1.598 1.00 0.00 C ATOM 1771 CG GLN A 116 -13.492 2.886 0.326 1.00 0.00 C ATOM 1772 CD GLN A 116 -14.330 2.695 -0.923 1.00 0.00 C ATOM 1773 OE1 GLN A 116 -15.042 3.604 -1.352 1.00 0.00 O ATOM 1774 NE2 GLN A 116 -14.250 1.509 -1.515 1.00 0.00 N ATOM 0 H GLN A 116 -12.035 1.715 2.320 1.00 0.00 H new ATOM 0 HA GLN A 116 -13.295 4.088 2.749 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -14.381 1.466 1.658 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -15.250 2.983 1.542 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -13.151 3.920 0.376 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -12.602 2.260 0.261 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -13.647 0.784 -1.125 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -14.791 1.323 -2.359 1.00 0.00 H new ATOM 1783 N LYS A 117 -14.491 1.765 4.716 1.00 0.00 N ATOM 1784 CA LYS A 117 -15.351 1.522 5.868 1.00 0.00 C ATOM 1785 C LYS A 117 -14.894 2.341 7.071 1.00 0.00 C ATOM 1786 O LYS A 117 -15.610 3.224 7.542 1.00 0.00 O ATOM 1787 CB LYS A 117 -15.355 0.033 6.222 1.00 0.00 C ATOM 1788 CG LYS A 117 -16.594 -0.408 6.982 1.00 0.00 C ATOM 1789 CD LYS A 117 -16.402 -0.281 8.484 1.00 0.00 C ATOM 1790 CE LYS A 117 -17.717 0.004 9.192 1.00 0.00 C ATOM 1791 NZ LYS A 117 -18.427 -1.250 9.570 1.00 0.00 N ATOM 0 H LYS A 117 -13.883 0.983 4.472 1.00 0.00 H new ATOM 0 HA LYS A 117 -16.363 1.829 5.606 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -15.275 -0.550 5.305 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -14.472 -0.192 6.821 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -17.447 0.196 6.671 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -16.827 -1.443 6.730 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -15.969 -1.201 8.876 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -15.693 0.520 8.695 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -17.527 0.597 10.086 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -18.357 0.602 8.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -19.319 -1.013 10.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -18.631 -1.805 8.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -17.827 -1.809 10.210 1.00 0.00 H new ATOM 1805 N HIS A 118 -13.695 2.043 7.562 1.00 0.00 N ATOM 1806 CA HIS A 118 -13.141 2.753 8.709 1.00 0.00 C ATOM 1807 C HIS A 118 -12.289 3.936 8.256 1.00 0.00 C ATOM 1808 O HIS A 118 -12.625 5.091 8.520 1.00 0.00 O ATOM 1809 CB HIS A 118 -12.302 1.805 9.567 1.00 0.00 C ATOM 1810 CG HIS A 118 -12.900 0.439 9.709 1.00 0.00 C ATOM 1811 ND1 HIS A 118 -13.637 0.051 10.808 1.00 0.00 N ATOM 1812 CD2 HIS A 118 -12.869 -0.632 8.882 1.00 0.00 C ATOM 1813 CE1 HIS A 118 -14.031 -1.200 10.652 1.00 0.00 C ATOM 1814 NE2 HIS A 118 -13.579 -1.638 9.490 1.00 0.00 N ATOM 0 H HIS A 118 -13.089 1.315 7.184 1.00 0.00 H new ATOM 0 HA HIS A 118 -13.971 3.132 9.305 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -11.308 1.714 9.128 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -12.174 2.242 10.558 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -12.377 -0.685 7.922 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -14.622 -1.768 11.355 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -13.732 -2.571 9.107 1.00 0.00 H new ATOM 1823 N CYS A 119 -11.188 3.639 7.576 1.00 0.00 N ATOM 1824 CA CYS A 119 -10.288 4.678 7.088 1.00 0.00 C ATOM 1825 C CYS A 119 -10.922 5.450 5.937 1.00 0.00 C ATOM 1826 O CYS A 119 -10.781 5.076 4.772 1.00 0.00 O ATOM 1827 CB CYS A 119 -8.963 4.062 6.636 1.00 0.00 C ATOM 1828 SG CYS A 119 -7.972 3.372 7.982 1.00 0.00 S ATOM 0 H CYS A 119 -10.897 2.688 7.350 1.00 0.00 H new ATOM 0 HA CYS A 119 -10.098 5.373 7.906 1.00 0.00 H new ATOM 0 HB2 CYS A 119 -9.169 3.275 5.911 1.00 0.00 H new ATOM 0 HB3 CYS A 119 -8.377 4.824 6.122 1.00 0.00 H new ATOM 0 HG CYS A 119 -7.961 2.075 7.892 1.00 0.00 H new ATOM 1834 N HIS A 120 -11.623 6.530 6.270 1.00 0.00 N ATOM 1835 CA HIS A 120 -12.281 7.355 5.263 1.00 0.00 C ATOM 1836 C HIS A 120 -12.210 8.832 5.640 1.00 0.00 C ATOM 1837 O HIS A 120 -12.758 9.250 6.660 1.00 0.00 O ATOM 1838 CB HIS A 120 -13.740 6.929 5.098 1.00 0.00 C ATOM 1839 CG HIS A 120 -14.489 7.737 4.084 1.00 0.00 C ATOM 1840 ND1 HIS A 120 -15.855 7.922 4.128 1.00 0.00 N ATOM 1841 CD2 HIS A 120 -14.055 8.413 2.995 1.00 0.00 C ATOM 1842 CE1 HIS A 120 -16.228 8.675 3.109 1.00 0.00 C ATOM 1843 NE2 HIS A 120 -15.155 8.987 2.406 1.00 0.00 N ATOM 0 H HIS A 120 -11.750 6.854 7.229 1.00 0.00 H new ATOM 0 HA HIS A 120 -11.760 7.214 4.316 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -13.773 5.878 4.809 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -14.245 7.011 6.061 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -13.033 8.487 2.653 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -17.239 8.983 2.888 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -15.145 9.561 1.563 1.00 0.00 H new ATOM 1852 N GLY A 121 -11.529 9.617 4.811 1.00 0.00 N ATOM 1853 CA GLY A 121 -11.398 11.038 5.075 1.00 0.00 C ATOM 1854 C GLY A 121 -10.087 11.383 5.753 1.00 0.00 C ATOM 1855 O GLY A 121 -9.660 12.538 5.743 1.00 0.00 O ATOM 0 H GLY A 121 -11.066 9.294 3.961 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -11.474 11.587 4.137 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -12.226 11.365 5.704 1.00 0.00 H new ATOM 1859 N ASP A 122 -9.446 10.381 6.344 1.00 0.00 N ATOM 1860 CA ASP A 122 -8.176 10.583 7.030 1.00 0.00 C ATOM 1861 C ASP A 122 -7.037 9.902 6.278 1.00 0.00 C ATOM 1862 O ASP A 122 -7.265 9.008 5.463 1.00 0.00 O ATOM 1863 CB ASP A 122 -8.253 10.046 8.460 1.00 0.00 C ATOM 1864 CG ASP A 122 -9.601 10.304 9.104 1.00 0.00 C ATOM 1865 OD1 ASP A 122 -10.593 9.680 8.675 1.00 0.00 O ATOM 1866 OD2 ASP A 122 -9.663 11.131 10.038 1.00 0.00 O ATOM 0 H ASP A 122 -9.786 9.419 6.362 1.00 0.00 H new ATOM 0 HA ASP A 122 -7.976 11.654 7.063 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -8.056 8.974 8.453 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -7.471 10.510 9.062 1.00 0.00 H new ATOM 1871 N VAL A 123 -5.810 10.332 6.556 1.00 0.00 N ATOM 1872 CA VAL A 123 -4.635 9.764 5.906 1.00 0.00 C ATOM 1873 C VAL A 123 -4.168 8.502 6.622 1.00 0.00 C ATOM 1874 O VAL A 123 -3.671 8.562 7.747 1.00 0.00 O ATOM 1875 CB VAL A 123 -3.474 10.775 5.861 1.00 0.00 C ATOM 1876 CG1 VAL A 123 -3.786 11.904 4.890 1.00 0.00 C ATOM 1877 CG2 VAL A 123 -3.191 11.322 7.252 1.00 0.00 C ATOM 0 H VAL A 123 -5.604 11.072 7.227 1.00 0.00 H new ATOM 0 HA VAL A 123 -4.928 9.513 4.886 1.00 0.00 H new ATOM 0 HB VAL A 123 -2.580 10.260 5.508 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -2.954 12.608 4.872 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -3.936 11.494 3.891 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -4.691 12.420 5.210 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -2.368 12.035 7.202 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -4.081 11.822 7.635 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -2.921 10.502 7.917 1.00 0.00 H new ATOM 1887 N CYS A 124 -4.330 7.360 5.962 1.00 0.00 N ATOM 1888 CA CYS A 124 -3.925 6.082 6.536 1.00 0.00 C ATOM 1889 C CYS A 124 -3.622 5.066 5.439 1.00 0.00 C ATOM 1890 O CYS A 124 -4.533 4.534 4.803 1.00 0.00 O ATOM 1891 CB CYS A 124 -5.019 5.543 7.458 1.00 0.00 C ATOM 1892 SG CYS A 124 -5.049 6.313 9.095 1.00 0.00 S ATOM 0 H CYS A 124 -4.739 7.293 5.030 1.00 0.00 H new ATOM 0 HA CYS A 124 -3.018 6.244 7.118 1.00 0.00 H new ATOM 0 HB2 CYS A 124 -5.988 5.691 6.981 1.00 0.00 H new ATOM 0 HB3 CYS A 124 -4.883 4.468 7.576 1.00 0.00 H new ATOM 0 HG CYS A 124 -4.484 7.482 9.035 1.00 0.00 H new ATOM 1898 N ILE A 125 -2.338 4.802 5.222 1.00 0.00 N ATOM 1899 CA ILE A 125 -1.915 3.851 4.202 1.00 0.00 C ATOM 1900 C ILE A 125 -1.665 2.473 4.805 1.00 0.00 C ATOM 1901 O ILE A 125 -2.182 1.466 4.319 1.00 0.00 O ATOM 1902 CB ILE A 125 -0.638 4.325 3.484 1.00 0.00 C ATOM 1903 CG1 ILE A 125 -0.889 5.656 2.775 1.00 0.00 C ATOM 1904 CG2 ILE A 125 -0.165 3.271 2.494 1.00 0.00 C ATOM 1905 CD1 ILE A 125 -1.967 5.583 1.716 1.00 0.00 C ATOM 0 H ILE A 125 -1.572 5.234 5.739 1.00 0.00 H new ATOM 0 HA ILE A 125 -2.726 3.786 3.476 1.00 0.00 H new ATOM 0 HB ILE A 125 0.145 4.474 4.227 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -1.168 6.406 3.515 1.00 0.00 H new ATOM 0 HG13 ILE A 125 0.039 5.994 2.314 1.00 0.00 H new ATOM 0 HG21 ILE A 125 0.738 3.621 1.994 1.00 0.00 H new ATOM 0 HG22 ILE A 125 0.050 2.344 3.025 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -0.944 3.093 1.753 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -2.091 6.563 1.255 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -1.681 4.857 0.955 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -2.907 5.276 2.174 1.00 0.00 H new ATOM 1917 N LEU A 126 -0.870 2.435 5.869 1.00 0.00 N ATOM 1918 CA LEU A 126 -0.551 1.180 6.542 1.00 0.00 C ATOM 1919 C LEU A 126 -1.805 0.334 6.738 1.00 0.00 C ATOM 1920 O LEU A 126 -1.832 -0.844 6.386 1.00 0.00 O ATOM 1921 CB LEU A 126 0.108 1.457 7.894 1.00 0.00 C ATOM 1922 CG LEU A 126 1.571 1.898 7.850 1.00 0.00 C ATOM 1923 CD1 LEU A 126 1.907 2.757 9.059 1.00 0.00 C ATOM 1924 CD2 LEU A 126 2.491 0.688 7.782 1.00 0.00 C ATOM 0 H LEU A 126 -0.434 3.259 6.284 1.00 0.00 H new ATOM 0 HA LEU A 126 0.145 0.625 5.913 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -0.468 2.229 8.405 1.00 0.00 H new ATOM 0 HB3 LEU A 126 0.040 0.554 8.501 1.00 0.00 H new ATOM 0 HG LEU A 126 1.723 2.496 6.952 1.00 0.00 H new ATOM 0 HD11 LEU A 126 2.953 3.061 9.010 1.00 0.00 H new ATOM 0 HD12 LEU A 126 1.271 3.642 9.064 1.00 0.00 H new ATOM 0 HD13 LEU A 126 1.738 2.184 9.971 1.00 0.00 H new ATOM 0 HD21 LEU A 126 3.528 1.021 7.751 1.00 0.00 H new ATOM 0 HD22 LEU A 126 2.336 0.063 8.662 1.00 0.00 H new ATOM 0 HD23 LEU A 126 2.268 0.112 6.884 1.00 0.00 H new ATOM 1936 N ASN A 127 -2.843 0.945 7.301 1.00 0.00 N ATOM 1937 CA ASN A 127 -4.101 0.248 7.542 1.00 0.00 C ATOM 1938 C ASN A 127 -4.407 -0.729 6.411 1.00 0.00 C ATOM 1939 O ASN A 127 -4.817 -1.865 6.652 1.00 0.00 O ATOM 1940 CB ASN A 127 -5.245 1.253 7.687 1.00 0.00 C ATOM 1941 CG ASN A 127 -5.349 1.812 9.093 1.00 0.00 C ATOM 1942 OD1 ASN A 127 -5.047 2.982 9.331 1.00 0.00 O ATOM 1943 ND2 ASN A 127 -5.777 0.977 10.032 1.00 0.00 N ATOM 0 H ASN A 127 -2.837 1.921 7.599 1.00 0.00 H new ATOM 0 HA ASN A 127 -4.003 -0.317 8.469 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -5.097 2.072 6.983 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -6.185 0.770 7.420 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -5.867 1.297 10.996 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -6.016 0.016 9.789 1.00 0.00 H new ATOM 1950 N ALA A 128 -4.205 -0.279 5.177 1.00 0.00 N ATOM 1951 CA ALA A 128 -4.457 -1.114 4.009 1.00 0.00 C ATOM 1952 C ALA A 128 -3.526 -2.322 3.986 1.00 0.00 C ATOM 1953 O ALA A 128 -3.972 -3.461 3.847 1.00 0.00 O ATOM 1954 CB ALA A 128 -4.299 -0.299 2.734 1.00 0.00 C ATOM 0 H ALA A 128 -3.868 0.659 4.960 1.00 0.00 H new ATOM 0 HA ALA A 128 -5.482 -1.480 4.069 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -4.490 -0.935 1.870 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -5.009 0.528 2.740 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -3.284 0.095 2.677 1.00 0.00 H new ATOM 1960 N THR A 129 -2.229 -2.066 4.122 1.00 0.00 N ATOM 1961 CA THR A 129 -1.234 -3.131 4.115 1.00 0.00 C ATOM 1962 C THR A 129 -1.549 -4.183 5.173 1.00 0.00 C ATOM 1963 O THR A 129 -1.288 -5.370 4.977 1.00 0.00 O ATOM 1964 CB THR A 129 0.182 -2.579 4.362 1.00 0.00 C ATOM 1965 OG1 THR A 129 0.307 -2.138 5.718 1.00 0.00 O ATOM 1966 CG2 THR A 129 0.486 -1.426 3.417 1.00 0.00 C ATOM 0 H THR A 129 -1.843 -1.129 4.238 1.00 0.00 H new ATOM 0 HA THR A 129 -1.269 -3.590 3.127 1.00 0.00 H new ATOM 0 HB THR A 129 0.898 -3.379 4.174 1.00 0.00 H new ATOM 0 HG1 THR A 129 -0.558 -1.803 6.034 1.00 0.00 H new ATOM 0 HG21 THR A 129 1.492 -1.053 3.610 1.00 0.00 H new ATOM 0 HG22 THR A 129 0.420 -1.773 2.386 1.00 0.00 H new ATOM 0 HG23 THR A 129 -0.236 -0.625 3.577 1.00 0.00 H new ATOM 1974 N GLU A 130 -2.111 -3.740 6.293 1.00 0.00 N ATOM 1975 CA GLU A 130 -2.460 -4.645 7.382 1.00 0.00 C ATOM 1976 C GLU A 130 -3.637 -5.536 6.992 1.00 0.00 C ATOM 1977 O GLU A 130 -3.762 -6.662 7.474 1.00 0.00 O ATOM 1978 CB GLU A 130 -2.802 -3.852 8.645 1.00 0.00 C ATOM 1979 CG GLU A 130 -1.704 -2.896 9.079 1.00 0.00 C ATOM 1980 CD GLU A 130 -2.024 -2.196 10.386 1.00 0.00 C ATOM 1981 OE1 GLU A 130 -3.212 -2.172 10.770 1.00 0.00 O ATOM 1982 OE2 GLU A 130 -1.087 -1.672 11.024 1.00 0.00 O ATOM 0 H GLU A 130 -2.334 -2.761 6.470 1.00 0.00 H new ATOM 0 HA GLU A 130 -1.597 -5.280 7.584 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -3.717 -3.286 8.472 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -3.007 -4.549 9.457 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -0.769 -3.446 9.185 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -1.548 -2.150 8.300 1.00 0.00 H new ATOM 1989 N TRP A 131 -4.495 -5.023 6.119 1.00 0.00 N ATOM 1990 CA TRP A 131 -5.662 -5.770 5.665 1.00 0.00 C ATOM 1991 C TRP A 131 -5.291 -6.727 4.537 1.00 0.00 C ATOM 1992 O TRP A 131 -5.987 -7.712 4.292 1.00 0.00 O ATOM 1993 CB TRP A 131 -6.758 -4.811 5.197 1.00 0.00 C ATOM 1994 CG TRP A 131 -8.034 -5.503 4.826 1.00 0.00 C ATOM 1995 CD1 TRP A 131 -9.192 -5.530 5.549 1.00 0.00 C ATOM 1996 CD2 TRP A 131 -8.281 -6.269 3.641 1.00 0.00 C ATOM 1997 NE1 TRP A 131 -10.144 -6.267 4.886 1.00 0.00 N ATOM 1998 CE2 TRP A 131 -9.610 -6.730 3.713 1.00 0.00 C ATOM 1999 CE3 TRP A 131 -7.509 -6.608 2.527 1.00 0.00 C ATOM 2000 CZ2 TRP A 131 -10.181 -7.513 2.713 1.00 0.00 C ATOM 2001 CZ3 TRP A 131 -8.077 -7.385 1.535 1.00 0.00 C ATOM 2002 CH2 TRP A 131 -9.402 -7.830 1.633 1.00 0.00 C ATOM 0 H TRP A 131 -4.405 -4.093 5.711 1.00 0.00 H new ATOM 0 HA TRP A 131 -6.036 -6.355 6.505 1.00 0.00 H new ATOM 0 HB2 TRP A 131 -6.961 -4.089 5.988 1.00 0.00 H new ATOM 0 HB3 TRP A 131 -6.395 -4.248 4.337 1.00 0.00 H new ATOM 0 HD1 TRP A 131 -9.338 -5.044 6.502 1.00 0.00 H new ATOM 0 HE1 TRP A 131 -11.094 -6.441 5.214 1.00 0.00 H new ATOM 0 HE3 TRP A 131 -6.487 -6.269 2.443 1.00 0.00 H new ATOM 0 HZ2 TRP A 131 -11.202 -7.858 2.787 1.00 0.00 H new ATOM 0 HZ3 TRP A 131 -7.489 -7.654 0.670 1.00 0.00 H new ATOM 0 HH2 TRP A 131 -9.817 -8.435 0.841 1.00 0.00 H new ATOM 2013 N VAL A 132 -4.190 -6.430 3.853 1.00 0.00 N ATOM 2014 CA VAL A 132 -3.726 -7.265 2.752 1.00 0.00 C ATOM 2015 C VAL A 132 -2.817 -8.381 3.254 1.00 0.00 C ATOM 2016 O VAL A 132 -3.076 -9.561 3.018 1.00 0.00 O ATOM 2017 CB VAL A 132 -2.969 -6.435 1.699 1.00 0.00 C ATOM 2018 CG1 VAL A 132 -2.417 -7.336 0.604 1.00 0.00 C ATOM 2019 CG2 VAL A 132 -3.877 -5.364 1.112 1.00 0.00 C ATOM 0 H VAL A 132 -3.603 -5.617 4.042 1.00 0.00 H new ATOM 0 HA VAL A 132 -4.612 -7.702 2.291 1.00 0.00 H new ATOM 0 HB VAL A 132 -2.129 -5.940 2.187 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -1.885 -6.732 -0.131 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -1.731 -8.062 1.041 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -3.238 -7.861 0.116 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -3.326 -4.787 0.370 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -4.738 -5.836 0.639 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -4.218 -4.701 1.907 1.00 0.00 H new ATOM 2029 N ARG A 133 -1.749 -7.999 3.948 1.00 0.00 N ATOM 2030 CA ARG A 133 -0.800 -8.968 4.483 1.00 0.00 C ATOM 2031 C ARG A 133 -1.522 -10.209 5.000 1.00 0.00 C ATOM 2032 O ARG A 133 -0.954 -11.299 5.034 1.00 0.00 O ATOM 2033 CB ARG A 133 0.024 -8.338 5.607 1.00 0.00 C ATOM 2034 CG ARG A 133 -0.747 -8.169 6.906 1.00 0.00 C ATOM 2035 CD ARG A 133 0.188 -7.935 8.082 1.00 0.00 C ATOM 2036 NE ARG A 133 0.744 -6.584 8.079 1.00 0.00 N ATOM 2037 CZ ARG A 133 1.691 -6.177 8.917 1.00 0.00 C ATOM 2038 NH1 ARG A 133 2.186 -7.013 9.819 1.00 0.00 N ATOM 2039 NH2 ARG A 133 2.145 -4.932 8.852 1.00 0.00 N ATOM 0 H ARG A 133 -1.520 -7.026 4.153 1.00 0.00 H new ATOM 0 HA ARG A 133 -0.132 -9.269 3.676 1.00 0.00 H new ATOM 0 HB2 ARG A 133 0.902 -8.957 5.793 1.00 0.00 H new ATOM 0 HB3 ARG A 133 0.385 -7.363 5.279 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -1.436 -7.329 6.815 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -1.350 -9.058 7.091 1.00 0.00 H new ATOM 0 HD2 ARG A 133 -0.352 -8.103 9.014 1.00 0.00 H new ATOM 0 HD3 ARG A 133 1.000 -8.661 8.050 1.00 0.00 H new ATOM 0 HE ARG A 133 0.385 -5.917 7.396 1.00 0.00 H new ATOM 0 HH11 ARG A 133 1.840 -7.971 9.871 1.00 0.00 H new ATOM 0 HH12 ARG A 133 2.913 -6.698 10.461 1.00 0.00 H new ATOM 0 HH21 ARG A 133 1.767 -4.287 8.158 1.00 0.00 H new ATOM 0 HH22 ARG A 133 2.872 -4.620 9.496 1.00 0.00 H new ATOM 2053 N GLU A 134 -2.777 -10.032 5.402 1.00 0.00 N ATOM 2054 CA GLU A 134 -3.575 -11.138 5.919 1.00 0.00 C ATOM 2055 C GLU A 134 -4.434 -11.751 4.816 1.00 0.00 C ATOM 2056 O GLU A 134 -4.253 -12.911 4.446 1.00 0.00 O ATOM 2057 CB GLU A 134 -4.466 -10.659 7.067 1.00 0.00 C ATOM 2058 CG GLU A 134 -5.477 -11.697 7.526 1.00 0.00 C ATOM 2059 CD GLU A 134 -4.825 -12.993 7.966 1.00 0.00 C ATOM 2060 OE1 GLU A 134 -4.092 -13.593 7.153 1.00 0.00 O ATOM 2061 OE2 GLU A 134 -5.047 -13.406 9.123 1.00 0.00 O ATOM 0 H GLU A 134 -3.262 -9.135 5.380 1.00 0.00 H new ATOM 0 HA GLU A 134 -2.893 -11.902 6.292 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -3.837 -10.379 7.912 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -4.997 -9.760 6.753 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -6.060 -11.290 8.352 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -6.174 -11.903 6.714 1.00 0.00 H new ATOM 2068 N HIS A 135 -5.369 -10.963 4.295 1.00 0.00 N ATOM 2069 CA HIS A 135 -6.256 -11.427 3.234 1.00 0.00 C ATOM 2070 C HIS A 135 -5.455 -11.986 2.062 1.00 0.00 C ATOM 2071 O HIS A 135 -5.706 -13.099 1.601 1.00 0.00 O ATOM 2072 CB HIS A 135 -7.154 -10.286 2.756 1.00 0.00 C ATOM 2073 CG HIS A 135 -8.322 -10.025 3.656 1.00 0.00 C ATOM 2074 ND1 HIS A 135 -9.592 -10.495 3.398 1.00 0.00 N ATOM 2075 CD2 HIS A 135 -8.406 -9.338 4.820 1.00 0.00 C ATOM 2076 CE1 HIS A 135 -10.407 -10.108 4.362 1.00 0.00 C ATOM 2077 NE2 HIS A 135 -9.712 -9.405 5.238 1.00 0.00 N ATOM 0 H HIS A 135 -5.532 -10.000 4.590 1.00 0.00 H new ATOM 0 HA HIS A 135 -6.879 -12.225 3.638 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -6.559 -9.376 2.674 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -7.521 -10.518 1.756 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -7.597 -8.832 5.325 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -11.462 -10.329 4.424 1.00 0.00 H new ATOM 0 HE2 HIS A 135 -10.085 -8.981 6.087 1.00 0.00 H new ATOM 2086 N ALA A 136 -4.492 -11.206 1.584 1.00 0.00 N ATOM 2087 CA ALA A 136 -3.654 -11.623 0.467 1.00 0.00 C ATOM 2088 C ALA A 136 -3.423 -13.130 0.487 1.00 0.00 C ATOM 2089 O ALA A 136 -3.942 -13.859 -0.359 1.00 0.00 O ATOM 2090 CB ALA A 136 -2.325 -10.883 0.498 1.00 0.00 C ATOM 0 H ALA A 136 -4.272 -10.281 1.953 1.00 0.00 H new ATOM 0 HA ALA A 136 -4.174 -11.373 -0.458 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -1.710 -11.205 -0.342 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -2.504 -9.810 0.427 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -1.808 -11.103 1.432 1.00 0.00 H new ATOM 2096 N SER A 137 -2.642 -13.592 1.458 1.00 0.00 N ATOM 2097 CA SER A 137 -2.339 -15.012 1.586 1.00 0.00 C ATOM 2098 C SER A 137 -3.602 -15.854 1.428 1.00 0.00 C ATOM 2099 O SER A 137 -3.589 -16.895 0.773 1.00 0.00 O ATOM 2100 CB SER A 137 -1.689 -15.297 2.941 1.00 0.00 C ATOM 2101 OG SER A 137 -0.546 -14.484 3.140 1.00 0.00 O ATOM 0 H SER A 137 -2.207 -13.003 2.168 1.00 0.00 H new ATOM 0 HA SER A 137 -1.642 -15.282 0.793 1.00 0.00 H new ATOM 0 HB2 SER A 137 -2.410 -15.117 3.739 1.00 0.00 H new ATOM 0 HB3 SER A 137 -1.406 -16.348 2.998 1.00 0.00 H new ATOM 0 HG SER A 137 0.233 -15.052 3.317 1.00 0.00 H new ATOM 2107 N GLY A 138 -4.692 -15.392 2.033 1.00 0.00 N ATOM 2108 CA GLY A 138 -5.949 -16.114 1.948 1.00 0.00 C ATOM 2109 C GLY A 138 -6.359 -16.397 0.517 1.00 0.00 C ATOM 2110 O GLY A 138 -6.614 -17.545 0.153 1.00 0.00 O ATOM 0 H GLY A 138 -4.728 -14.532 2.580 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -5.861 -17.055 2.490 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -6.731 -15.535 2.439 1.00 0.00 H new ATOM 2114 N TYR A 139 -6.425 -15.349 -0.296 1.00 0.00 N ATOM 2115 CA TYR A 139 -6.812 -15.489 -1.695 1.00 0.00 C ATOM 2116 C TYR A 139 -5.934 -16.517 -2.402 1.00 0.00 C ATOM 2117 O TYR A 139 -6.433 -17.460 -3.017 1.00 0.00 O ATOM 2118 CB TYR A 139 -6.715 -14.141 -2.411 1.00 0.00 C ATOM 2119 CG TYR A 139 -7.822 -13.179 -2.042 1.00 0.00 C ATOM 2120 CD1 TYR A 139 -9.072 -13.265 -2.643 1.00 0.00 C ATOM 2121 CD2 TYR A 139 -7.618 -12.184 -1.094 1.00 0.00 C ATOM 2122 CE1 TYR A 139 -10.086 -12.388 -2.310 1.00 0.00 C ATOM 2123 CE2 TYR A 139 -8.627 -11.304 -0.754 1.00 0.00 C ATOM 2124 CZ TYR A 139 -9.859 -11.410 -1.364 1.00 0.00 C ATOM 2125 OH TYR A 139 -10.866 -10.534 -1.029 1.00 0.00 O ATOM 0 H TYR A 139 -6.215 -14.392 -0.010 1.00 0.00 H new ATOM 0 HA TYR A 139 -7.845 -15.836 -1.727 1.00 0.00 H new ATOM 0 HB2 TYR A 139 -5.754 -13.683 -2.177 1.00 0.00 H new ATOM 0 HB3 TYR A 139 -6.735 -14.309 -3.488 1.00 0.00 H new ATOM 0 HD1 TYR A 139 -9.254 -14.030 -3.383 1.00 0.00 H new ATOM 0 HD2 TYR A 139 -6.654 -12.097 -0.615 1.00 0.00 H new ATOM 0 HE1 TYR A 139 -11.051 -12.468 -2.788 1.00 0.00 H new ATOM 0 HE2 TYR A 139 -8.452 -10.537 -0.014 1.00 0.00 H new ATOM 0 HH TYR A 139 -10.542 -9.909 -0.347 1.00 0.00 H new ATOM 2135 N VAL A 140 -4.621 -16.329 -2.310 1.00 0.00 N ATOM 2136 CA VAL A 140 -3.672 -17.239 -2.938 1.00 0.00 C ATOM 2137 C VAL A 140 -4.016 -18.692 -2.629 1.00 0.00 C ATOM 2138 O VAL A 140 -4.103 -19.086 -1.467 1.00 0.00 O ATOM 2139 CB VAL A 140 -2.231 -16.955 -2.475 1.00 0.00 C ATOM 2140 CG1 VAL A 140 -1.250 -17.877 -3.183 1.00 0.00 C ATOM 2141 CG2 VAL A 140 -1.872 -15.496 -2.715 1.00 0.00 C ATOM 0 H VAL A 140 -4.191 -15.554 -1.806 1.00 0.00 H new ATOM 0 HA VAL A 140 -3.740 -17.073 -4.013 1.00 0.00 H new ATOM 0 HB VAL A 140 -2.167 -17.150 -1.404 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -0.237 -17.661 -2.843 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -1.496 -18.914 -2.955 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -1.313 -17.717 -4.259 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -0.850 -15.313 -2.382 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -1.953 -15.272 -3.779 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -2.556 -14.856 -2.157 1.00 0.00 H new