USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 757 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 60 SER OG : rot -133:sc= 0.00361 USER MOD Set 1.2: A 62 ASN : amide:sc= -0.036 X(o=-0.032,f=-0.0035) USER MOD Set 2.1: A 25 LYS NZ :NH3+ -112:sc= -0.381 (180deg=-0.0958) USER MOD Set 2.2: A 82 ASN :FLIP amide:sc= -0.595 F(o=-4!,f=-0.98) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= -1.1 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot -28:sc= 0.0432 USER MOD Single : A -1 GLY N :NH3+ -131:sc= 0.117 (180deg=0) USER MOD Single : A 10 GLN :FLIP amide:sc= -2.58! C(o=-4.1!,f=-2.6!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 ASN :FLIP amide:sc= -0.782 F(o=-2.5,f=-0.78) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.059 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 178:sc= -1.97 (180deg=-1.99) USER MOD Single : A 21 TYR OH : rot 180:sc= -0.041 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 14:sc= 0.613! USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot -158:sc= 0.593 USER MOD Single : A 40 SER OG : rot 180:sc= -0.786! USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -149:sc= -4.29! (180deg=-10.6!) USER MOD Single : A 50 LYS NZ :NH3+ -165:sc= 0.156 (180deg=0.0771) USER MOD Single : A 53 SER OG : rot 50:sc= 0.941 USER MOD Single : A 58 LYS NZ :NH3+ 161:sc= 0.00145 (180deg=-0.000698) USER MOD Single : A 59 MET CE :methyl -139:sc= -0.0264 (180deg=-1.73) USER MOD Single : A 61 LYS NZ :NH3+ -140:sc= -0.22 (180deg=-1.21) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -100:sc= -0.998 USER MOD Single : A 74 THR OG1 : rot -133:sc= -4.38! USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.0181 X(o=-0.018,f=-0.084) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 32:sc= 0.0707 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 4:sc= 0.245 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 -9.111 -14.213 -10.727 1.00 0.00 N ATOM 2 CA GLY A -1 -8.393 -13.426 -9.739 1.00 0.00 C ATOM 3 C GLY A -1 -9.326 -12.978 -8.612 1.00 0.00 C ATOM 4 O GLY A -1 -10.504 -13.330 -8.600 1.00 0.00 O ATOM 0 H1 GLY A -1 -8.582 -15.086 -10.926 1.00 0.00 H new ATOM 0 H2 GLY A -1 -10.053 -14.455 -10.360 1.00 0.00 H new ATOM 0 H3 GLY A -1 -9.212 -13.662 -11.603 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -7.574 -14.014 -9.326 1.00 0.00 H new ATOM 0 HA3 GLY A -1 -7.949 -12.553 -10.217 1.00 0.00 H new ATOM 8 N PRO A 0 -8.748 -12.189 -7.667 1.00 0.00 N ATOM 9 CA PRO A 0 -9.515 -11.690 -6.538 1.00 0.00 C ATOM 10 C PRO A 0 -10.446 -10.554 -6.967 1.00 0.00 C ATOM 11 O PRO A 0 -10.724 -10.389 -8.154 1.00 0.00 O ATOM 12 CB PRO A 0 -8.475 -11.252 -5.519 1.00 0.00 C ATOM 13 CG PRO A 0 -7.176 -11.089 -6.293 1.00 0.00 C ATOM 14 CD PRO A 0 -7.355 -11.752 -7.649 1.00 0.00 C ATOM 0 HA PRO A 0 -10.177 -12.444 -6.113 1.00 0.00 H new ATOM 0 HB2 PRO A 0 -8.766 -10.316 -5.042 1.00 0.00 H new ATOM 0 HB3 PRO A 0 -8.368 -11.993 -4.727 1.00 0.00 H new ATOM 0 HG2 PRO A 0 -6.933 -10.033 -6.413 1.00 0.00 H new ATOM 0 HG3 PRO A 0 -6.349 -11.546 -5.751 1.00 0.00 H new ATOM 0 HD2 PRO A 0 -7.148 -11.055 -8.461 1.00 0.00 H new ATOM 0 HD3 PRO A 0 -6.674 -12.594 -7.771 1.00 0.00 H new ATOM 22 N MET A 1 -10.903 -9.801 -5.977 1.00 0.00 N ATOM 23 CA MET A 1 -11.797 -8.686 -6.237 1.00 0.00 C ATOM 24 C MET A 1 -11.092 -7.594 -7.044 1.00 0.00 C ATOM 25 O MET A 1 -11.710 -6.940 -7.883 1.00 0.00 O ATOM 26 CB MET A 1 -12.287 -8.104 -4.910 1.00 0.00 C ATOM 27 CG MET A 1 -13.063 -9.150 -4.106 1.00 0.00 C ATOM 28 SD MET A 1 -14.478 -8.393 -3.325 1.00 0.00 S ATOM 29 CE MET A 1 -14.362 -9.122 -1.699 1.00 0.00 C ATOM 0 H MET A 1 -10.671 -9.941 -4.994 1.00 0.00 H new ATOM 0 HA MET A 1 -12.643 -9.052 -6.818 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.436 -7.750 -4.328 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.924 -7.240 -5.101 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.388 -9.957 -4.762 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.415 -9.594 -3.351 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.177 -8.754 -1.076 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.429 -10.207 -1.781 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.408 -8.851 -1.246 1.00 0.00 H new ATOM 39 N GLU A 2 -9.808 -7.430 -6.762 1.00 0.00 N ATOM 40 CA GLU A 2 -9.012 -6.429 -7.451 1.00 0.00 C ATOM 41 C GLU A 2 -9.617 -5.038 -7.247 1.00 0.00 C ATOM 42 O GLU A 2 -10.758 -4.790 -7.632 1.00 0.00 O ATOM 43 CB GLU A 2 -8.886 -6.758 -8.940 1.00 0.00 C ATOM 44 CG GLU A 2 -8.318 -8.164 -9.144 1.00 0.00 C ATOM 45 CD GLU A 2 -9.285 -9.033 -9.951 1.00 0.00 C ATOM 46 OE1 GLU A 2 -10.497 -8.730 -9.903 1.00 0.00 O ATOM 47 OE2 GLU A 2 -8.790 -9.982 -10.598 1.00 0.00 O ATOM 0 H GLU A 2 -9.299 -7.974 -6.065 1.00 0.00 H new ATOM 0 HA GLU A 2 -8.009 -6.435 -7.025 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -9.864 -6.684 -9.417 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.239 -6.027 -9.424 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -7.361 -8.102 -9.661 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.128 -8.628 -8.176 1.00 0.00 H new ATOM 54 N PHE A 3 -8.823 -4.167 -6.640 1.00 0.00 N ATOM 55 CA PHE A 3 -9.266 -2.807 -6.380 1.00 0.00 C ATOM 56 C PHE A 3 -8.510 -1.807 -7.258 1.00 0.00 C ATOM 57 O PHE A 3 -7.282 -1.836 -7.322 1.00 0.00 O ATOM 58 CB PHE A 3 -8.959 -2.511 -4.911 1.00 0.00 C ATOM 59 CG PHE A 3 -9.936 -3.159 -3.928 1.00 0.00 C ATOM 60 CD1 PHE A 3 -9.944 -4.510 -3.768 1.00 0.00 C ATOM 61 CD2 PHE A 3 -10.798 -2.385 -3.215 1.00 0.00 C ATOM 62 CE1 PHE A 3 -10.851 -5.112 -2.856 1.00 0.00 C ATOM 63 CE2 PHE A 3 -11.705 -2.987 -2.303 1.00 0.00 C ATOM 64 CZ PHE A 3 -11.712 -4.338 -2.143 1.00 0.00 C ATOM 0 H PHE A 3 -7.877 -4.376 -6.321 1.00 0.00 H new ATOM 0 HA PHE A 3 -10.329 -2.713 -6.601 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -7.950 -2.856 -4.685 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -8.969 -1.432 -4.759 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -9.260 -5.125 -4.335 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -10.793 -1.313 -3.343 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -10.857 -6.184 -2.729 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -12.389 -2.372 -1.737 1.00 0.00 H new ATOM 0 HZ PHE A 3 -12.402 -4.796 -1.449 1.00 0.00 H new ATOM 74 N THR A 4 -9.276 -0.947 -7.912 1.00 0.00 N ATOM 75 CA THR A 4 -8.695 0.060 -8.784 1.00 0.00 C ATOM 76 C THR A 4 -8.161 1.234 -7.960 1.00 0.00 C ATOM 77 O THR A 4 -8.630 1.483 -6.851 1.00 0.00 O ATOM 78 CB THR A 4 -9.756 0.469 -9.807 1.00 0.00 C ATOM 79 OG1 THR A 4 -10.847 0.925 -9.013 1.00 0.00 O ATOM 80 CG2 THR A 4 -10.325 -0.728 -10.571 1.00 0.00 C ATOM 0 H THR A 4 -10.294 -0.926 -7.856 1.00 0.00 H new ATOM 0 HA THR A 4 -7.835 -0.334 -9.326 1.00 0.00 H new ATOM 0 HB THR A 4 -9.324 1.178 -10.513 1.00 0.00 H new ATOM 0 HG1 THR A 4 -11.580 1.212 -9.597 1.00 0.00 H new ATOM 0 HG21 THR A 4 -11.073 -0.382 -11.284 1.00 0.00 H new ATOM 0 HG22 THR A 4 -9.521 -1.234 -11.106 1.00 0.00 H new ATOM 0 HG23 THR A 4 -10.786 -1.422 -9.869 1.00 0.00 H new ATOM 88 N ALA A 5 -7.187 1.924 -8.535 1.00 0.00 N ATOM 89 CA ALA A 5 -6.584 3.065 -7.868 1.00 0.00 C ATOM 90 C ALA A 5 -7.683 4.037 -7.435 1.00 0.00 C ATOM 91 O ALA A 5 -7.550 4.718 -6.419 1.00 0.00 O ATOM 92 CB ALA A 5 -5.562 3.720 -8.800 1.00 0.00 C ATOM 0 H ALA A 5 -6.801 1.715 -9.455 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.052 2.747 -6.971 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.110 4.576 -8.300 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -4.787 2.997 -9.055 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -6.061 4.054 -9.710 1.00 0.00 H new ATOM 98 N GLU A 6 -8.745 4.069 -8.226 1.00 0.00 N ATOM 99 CA GLU A 6 -9.868 4.946 -7.936 1.00 0.00 C ATOM 100 C GLU A 6 -10.652 4.423 -6.731 1.00 0.00 C ATOM 101 O GLU A 6 -10.991 5.187 -5.828 1.00 0.00 O ATOM 102 CB GLU A 6 -10.776 5.096 -9.158 1.00 0.00 C ATOM 103 CG GLU A 6 -11.432 6.477 -9.187 1.00 0.00 C ATOM 104 CD GLU A 6 -11.315 7.111 -10.575 1.00 0.00 C ATOM 105 OE1 GLU A 6 -11.864 6.509 -11.522 1.00 0.00 O ATOM 106 OE2 GLU A 6 -10.678 8.184 -10.657 1.00 0.00 O ATOM 0 H GLU A 6 -8.852 3.502 -9.067 1.00 0.00 H new ATOM 0 HA GLU A 6 -9.479 5.934 -7.690 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -10.195 4.946 -10.068 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -11.545 4.324 -9.141 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -12.483 6.390 -8.910 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -10.960 7.123 -8.447 1.00 0.00 H new ATOM 113 N GLN A 7 -10.917 3.125 -6.755 1.00 0.00 N ATOM 114 CA GLN A 7 -11.655 2.492 -5.676 1.00 0.00 C ATOM 115 C GLN A 7 -10.774 2.369 -4.431 1.00 0.00 C ATOM 116 O GLN A 7 -11.249 2.544 -3.310 1.00 0.00 O ATOM 117 CB GLN A 7 -12.191 1.125 -6.106 1.00 0.00 C ATOM 118 CG GLN A 7 -13.689 1.194 -6.411 1.00 0.00 C ATOM 119 CD GLN A 7 -13.939 1.242 -7.920 1.00 0.00 C ATOM 120 OE1 GLN A 7 -14.177 0.236 -8.568 1.00 0.00 O ATOM 121 NE2 GLN A 7 -13.873 2.464 -8.441 1.00 0.00 N ATOM 0 H GLN A 7 -10.634 2.495 -7.505 1.00 0.00 H new ATOM 0 HA GLN A 7 -12.511 3.120 -5.431 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -11.652 0.780 -6.989 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -12.010 0.395 -5.317 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -14.191 0.327 -5.983 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -14.120 2.077 -5.939 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -13.669 3.264 -7.841 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -14.026 2.601 -9.440 1.00 0.00 H new ATOM 130 N LEU A 8 -9.506 2.067 -4.670 1.00 0.00 N ATOM 131 CA LEU A 8 -8.554 1.918 -3.583 1.00 0.00 C ATOM 132 C LEU A 8 -8.454 3.237 -2.814 1.00 0.00 C ATOM 133 O LEU A 8 -8.436 3.243 -1.584 1.00 0.00 O ATOM 134 CB LEU A 8 -7.211 1.412 -4.112 1.00 0.00 C ATOM 135 CG LEU A 8 -5.971 1.874 -3.345 1.00 0.00 C ATOM 136 CD1 LEU A 8 -5.772 3.384 -3.483 1.00 0.00 C ATOM 137 CD2 LEU A 8 -6.037 1.436 -1.880 1.00 0.00 C ATOM 0 H LEU A 8 -9.116 1.921 -5.601 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.898 1.162 -2.877 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.230 0.322 -4.110 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.110 1.727 -5.150 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.098 1.393 -3.786 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.884 3.686 -2.928 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.647 3.640 -4.535 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.643 3.904 -3.084 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.143 1.777 -1.358 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -6.920 1.869 -1.410 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.095 0.349 -1.828 1.00 0.00 H new ATOM 149 N SER A 9 -8.392 4.323 -3.571 1.00 0.00 N ATOM 150 CA SER A 9 -8.294 5.645 -2.976 1.00 0.00 C ATOM 151 C SER A 9 -9.480 5.887 -2.040 1.00 0.00 C ATOM 152 O SER A 9 -9.465 6.823 -1.243 1.00 0.00 O ATOM 153 CB SER A 9 -8.238 6.731 -4.053 1.00 0.00 C ATOM 154 OG SER A 9 -7.844 7.992 -3.519 1.00 0.00 O ATOM 0 H SER A 9 -8.408 4.314 -4.591 1.00 0.00 H new ATOM 0 HA SER A 9 -7.369 5.693 -2.401 1.00 0.00 H new ATOM 0 HB2 SER A 9 -7.537 6.433 -4.833 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.217 6.826 -4.523 1.00 0.00 H new ATOM 0 HG SER A 9 -8.109 8.046 -2.577 1.00 0.00 H new ATOM 160 N GLN A 10 -10.479 5.026 -2.168 1.00 0.00 N ATOM 161 CA GLN A 10 -11.671 5.134 -1.344 1.00 0.00 C ATOM 162 C GLN A 10 -11.473 4.386 -0.024 1.00 0.00 C ATOM 163 O GLN A 10 -12.439 4.097 0.680 1.00 0.00 O ATOM 164 CB GLN A 10 -12.902 4.616 -2.089 1.00 0.00 C ATOM 165 CG GLN A 10 -12.815 4.938 -3.582 1.00 0.00 C ATOM 166 CD GLN A 10 -14.100 4.530 -4.307 1.00 0.00 C ATOM 167 OE1 GLN A 10 -14.507 3.294 -4.031 1.00 0.00 O flip ATOM 168 NE2 GLN A 10 -14.682 5.287 -5.066 1.00 0.00 N flip ATOM 0 H GLN A 10 -10.487 4.250 -2.830 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.840 6.187 -1.120 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -12.989 3.538 -1.950 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -13.802 5.065 -1.668 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -12.640 6.005 -3.718 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -11.964 4.417 -4.021 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -14.314 6.224 -5.233 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -15.536 4.983 -5.533 1.00 0.00 H new ATOM 177 N TYR A 11 -10.215 4.094 0.271 1.00 0.00 N ATOM 178 CA TYR A 11 -9.878 3.384 1.493 1.00 0.00 C ATOM 179 C TYR A 11 -8.518 3.835 2.032 1.00 0.00 C ATOM 180 O TYR A 11 -7.620 3.016 2.221 1.00 0.00 O ATOM 181 CB TYR A 11 -9.798 1.904 1.114 1.00 0.00 C ATOM 182 CG TYR A 11 -11.061 1.367 0.437 1.00 0.00 C ATOM 183 CD1 TYR A 11 -12.270 1.405 1.102 1.00 0.00 C ATOM 184 CD2 TYR A 11 -10.991 0.844 -0.838 1.00 0.00 C ATOM 185 CE1 TYR A 11 -13.458 0.899 0.465 1.00 0.00 C ATOM 186 CE2 TYR A 11 -12.179 0.337 -1.475 1.00 0.00 C ATOM 187 CZ TYR A 11 -13.354 0.390 -0.792 1.00 0.00 C ATOM 188 OH TYR A 11 -14.476 -0.088 -1.393 1.00 0.00 O ATOM 0 H TYR A 11 -9.416 4.336 -0.315 1.00 0.00 H new ATOM 0 HA TYR A 11 -10.622 3.577 2.266 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -8.949 1.756 0.447 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -9.603 1.319 2.013 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -12.325 1.814 2.100 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -10.045 0.815 -1.358 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -14.410 0.923 0.974 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -12.138 -0.076 -2.472 1.00 0.00 H new ATOM 0 HH TYR A 11 -14.252 -0.419 -2.288 1.00 0.00 H new ATOM 198 N ASN A 12 -8.410 5.135 2.262 1.00 0.00 N ATOM 199 CA ASN A 12 -7.175 5.704 2.775 1.00 0.00 C ATOM 200 C ASN A 12 -7.455 6.403 4.107 1.00 0.00 C ATOM 201 O ASN A 12 -6.689 7.266 4.531 1.00 0.00 O ATOM 202 CB ASN A 12 -6.603 6.741 1.807 1.00 0.00 C ATOM 203 CG ASN A 12 -7.340 8.076 1.936 1.00 0.00 C ATOM 204 OD1 ASN A 12 -8.549 8.082 1.381 1.00 0.00 O flip ATOM 205 ND2 ASN A 12 -6.844 9.037 2.501 1.00 0.00 N flip ATOM 0 H ASN A 12 -9.157 5.811 2.103 1.00 0.00 H new ATOM 0 HA ASN A 12 -6.457 4.894 2.901 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -5.542 6.886 2.009 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -6.685 6.373 0.784 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -5.911 8.965 2.906 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -7.363 9.913 2.569 1.00 0.00 H new ATOM 212 N GLY A 13 -8.555 6.004 4.728 1.00 0.00 N ATOM 213 CA GLY A 13 -8.945 6.582 6.003 1.00 0.00 C ATOM 214 C GLY A 13 -9.660 7.919 5.803 1.00 0.00 C ATOM 215 O GLY A 13 -9.042 8.978 5.896 1.00 0.00 O ATOM 0 H GLY A 13 -9.188 5.288 4.372 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.600 5.891 6.534 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.062 6.727 6.626 1.00 0.00 H new ATOM 219 N THR A 14 -10.954 7.827 5.531 1.00 0.00 N ATOM 220 CA THR A 14 -11.760 9.017 5.317 1.00 0.00 C ATOM 221 C THR A 14 -13.103 8.889 6.039 1.00 0.00 C ATOM 222 O THR A 14 -13.402 9.666 6.944 1.00 0.00 O ATOM 223 CB THR A 14 -11.899 9.229 3.808 1.00 0.00 C ATOM 224 OG1 THR A 14 -12.204 7.932 3.302 1.00 0.00 O ATOM 225 CG2 THR A 14 -10.569 9.586 3.142 1.00 0.00 C ATOM 0 H THR A 14 -11.464 6.947 5.454 1.00 0.00 H new ATOM 0 HA THR A 14 -11.282 9.900 5.741 1.00 0.00 H new ATOM 0 HB THR A 14 -12.624 10.021 3.618 1.00 0.00 H new ATOM 0 HG1 THR A 14 -12.313 7.978 2.329 1.00 0.00 H new ATOM 0 HG21 THR A 14 -10.724 9.726 2.072 1.00 0.00 H new ATOM 0 HG22 THR A 14 -10.181 10.507 3.576 1.00 0.00 H new ATOM 0 HG23 THR A 14 -9.854 8.780 3.303 1.00 0.00 H new ATOM 233 N ASP A 15 -13.876 7.902 5.611 1.00 0.00 N ATOM 234 CA ASP A 15 -15.180 7.662 6.205 1.00 0.00 C ATOM 235 C ASP A 15 -15.004 6.897 7.518 1.00 0.00 C ATOM 236 O ASP A 15 -13.912 6.868 8.083 1.00 0.00 O ATOM 237 CB ASP A 15 -16.060 6.818 5.280 1.00 0.00 C ATOM 238 CG ASP A 15 -17.425 7.428 4.953 1.00 0.00 C ATOM 239 OD1 ASP A 15 -17.446 8.353 4.113 1.00 0.00 O ATOM 240 OD2 ASP A 15 -18.416 6.954 5.550 1.00 0.00 O ATOM 0 H ASP A 15 -13.624 7.259 4.860 1.00 0.00 H new ATOM 0 HA ASP A 15 -15.657 8.628 6.374 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -15.522 6.647 4.347 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -16.216 5.843 5.741 1.00 0.00 H new ATOM 245 N GLU A 16 -16.097 6.295 7.966 1.00 0.00 N ATOM 246 CA GLU A 16 -16.077 5.531 9.202 1.00 0.00 C ATOM 247 C GLU A 16 -15.947 4.037 8.901 1.00 0.00 C ATOM 248 O GLU A 16 -15.049 3.372 9.416 1.00 0.00 O ATOM 249 CB GLU A 16 -17.324 5.815 10.042 1.00 0.00 C ATOM 250 CG GLU A 16 -17.080 6.972 11.013 1.00 0.00 C ATOM 251 CD GLU A 16 -17.996 6.866 12.234 1.00 0.00 C ATOM 252 OE1 GLU A 16 -19.199 7.162 12.068 1.00 0.00 O ATOM 253 OE2 GLU A 16 -17.473 6.492 13.305 1.00 0.00 O ATOM 0 H GLU A 16 -17.001 6.321 7.495 1.00 0.00 H new ATOM 0 HA GLU A 16 -15.209 5.841 9.784 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -18.161 6.056 9.387 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -17.603 4.921 10.599 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -16.038 6.968 11.334 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -17.254 7.921 10.505 1.00 0.00 H new ATOM 260 N SER A 17 -16.856 3.552 8.068 1.00 0.00 N ATOM 261 CA SER A 17 -16.854 2.149 7.693 1.00 0.00 C ATOM 262 C SER A 17 -15.765 1.888 6.650 1.00 0.00 C ATOM 263 O SER A 17 -15.082 0.866 6.703 1.00 0.00 O ATOM 264 CB SER A 17 -18.220 1.722 7.152 1.00 0.00 C ATOM 265 OG SER A 17 -19.196 1.622 8.185 1.00 0.00 O ATOM 0 H SER A 17 -17.599 4.106 7.642 1.00 0.00 H new ATOM 0 HA SER A 17 -16.645 1.557 8.584 1.00 0.00 H new ATOM 0 HB2 SER A 17 -18.555 2.442 6.405 1.00 0.00 H new ATOM 0 HB3 SER A 17 -18.126 0.760 6.648 1.00 0.00 H new ATOM 0 HG SER A 17 -20.054 1.349 7.799 1.00 0.00 H new ATOM 271 N LYS A 18 -15.637 2.829 5.726 1.00 0.00 N ATOM 272 CA LYS A 18 -14.643 2.713 4.673 1.00 0.00 C ATOM 273 C LYS A 18 -13.345 2.157 5.262 1.00 0.00 C ATOM 274 O LYS A 18 -12.724 2.790 6.114 1.00 0.00 O ATOM 275 CB LYS A 18 -14.467 4.052 3.953 1.00 0.00 C ATOM 276 CG LYS A 18 -15.382 4.140 2.730 1.00 0.00 C ATOM 277 CD LYS A 18 -15.073 3.023 1.731 1.00 0.00 C ATOM 278 CE LYS A 18 -16.334 2.226 1.392 1.00 0.00 C ATOM 279 NZ LYS A 18 -16.521 1.118 2.355 1.00 0.00 N ATOM 0 H LYS A 18 -16.205 3.675 5.685 1.00 0.00 H new ATOM 0 HA LYS A 18 -14.976 2.008 3.911 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -14.690 4.870 4.638 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.428 4.169 3.644 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -16.423 4.073 3.045 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -15.257 5.109 2.247 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -14.653 3.451 0.821 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -14.318 2.356 2.148 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -17.203 2.883 1.412 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -16.259 1.828 0.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -17.399 0.608 2.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -15.715 0.464 2.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -16.580 1.503 3.319 1.00 0.00 H new ATOM 293 N PRO A 19 -12.964 0.947 4.771 1.00 0.00 N ATOM 294 CA PRO A 19 -11.751 0.298 5.240 1.00 0.00 C ATOM 295 C PRO A 19 -10.508 0.967 4.650 1.00 0.00 C ATOM 296 O PRO A 19 -10.619 1.885 3.838 1.00 0.00 O ATOM 297 CB PRO A 19 -11.897 -1.156 4.822 1.00 0.00 C ATOM 298 CG PRO A 19 -12.960 -1.174 3.736 1.00 0.00 C ATOM 299 CD PRO A 19 -13.674 0.168 3.762 1.00 0.00 C ATOM 0 HA PRO A 19 -11.621 0.378 6.319 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -10.952 -1.552 4.450 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -12.192 -1.777 5.667 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -12.506 -1.346 2.760 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.667 -1.986 3.907 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.637 0.655 2.788 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.727 0.051 4.020 1.00 0.00 H new ATOM 307 N ILE A 20 -9.353 0.483 5.081 1.00 0.00 N ATOM 308 CA ILE A 20 -8.091 1.023 4.606 1.00 0.00 C ATOM 309 C ILE A 20 -7.331 -0.065 3.843 1.00 0.00 C ATOM 310 O ILE A 20 -7.091 -1.148 4.374 1.00 0.00 O ATOM 311 CB ILE A 20 -7.297 1.630 5.765 1.00 0.00 C ATOM 312 CG1 ILE A 20 -8.134 2.664 6.520 1.00 0.00 C ATOM 313 CG2 ILE A 20 -5.971 2.213 5.275 1.00 0.00 C ATOM 314 CD1 ILE A 20 -8.632 2.100 7.852 1.00 0.00 C ATOM 0 H ILE A 20 -9.265 -0.278 5.755 1.00 0.00 H new ATOM 0 HA ILE A 20 -8.266 1.841 3.907 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.057 0.833 6.469 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -7.538 3.558 6.700 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -8.984 2.966 5.908 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.427 2.638 6.118 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.374 1.424 4.818 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -6.166 2.993 4.539 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -9.224 2.855 8.368 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -9.248 1.220 7.667 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -7.779 1.822 8.471 1.00 0.00 H new ATOM 326 N TYR A 21 -6.973 0.263 2.610 1.00 0.00 N ATOM 327 CA TYR A 21 -6.245 -0.673 1.769 1.00 0.00 C ATOM 328 C TYR A 21 -5.000 -0.016 1.169 1.00 0.00 C ATOM 329 O TYR A 21 -5.055 1.124 0.711 1.00 0.00 O ATOM 330 CB TYR A 21 -7.201 -1.055 0.638 1.00 0.00 C ATOM 331 CG TYR A 21 -8.466 -1.776 1.109 1.00 0.00 C ATOM 332 CD1 TYR A 21 -8.434 -2.551 2.250 1.00 0.00 C ATOM 333 CD2 TYR A 21 -9.639 -1.651 0.392 1.00 0.00 C ATOM 334 CE1 TYR A 21 -9.624 -3.230 2.693 1.00 0.00 C ATOM 335 CE2 TYR A 21 -10.829 -2.329 0.835 1.00 0.00 C ATOM 336 CZ TYR A 21 -10.763 -3.085 1.964 1.00 0.00 C ATOM 337 OH TYR A 21 -11.887 -3.726 2.383 1.00 0.00 O ATOM 0 H TYR A 21 -7.173 1.163 2.173 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.918 -1.536 2.349 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -7.489 -0.152 0.099 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -6.673 -1.694 -0.070 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.516 -2.648 2.811 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -9.664 -1.045 -0.501 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -9.612 -3.840 3.584 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -11.753 -2.240 0.284 1.00 0.00 H new ATOM 0 HH TYR A 21 -12.624 -3.531 1.767 1.00 0.00 H new ATOM 347 N VAL A 22 -3.906 -0.764 1.191 1.00 0.00 N ATOM 348 CA VAL A 22 -2.650 -0.268 0.655 1.00 0.00 C ATOM 349 C VAL A 22 -2.253 -1.109 -0.560 1.00 0.00 C ATOM 350 O VAL A 22 -2.567 -2.296 -0.628 1.00 0.00 O ATOM 351 CB VAL A 22 -1.581 -0.258 1.750 1.00 0.00 C ATOM 352 CG1 VAL A 22 -0.280 0.364 1.240 1.00 0.00 C ATOM 353 CG2 VAL A 22 -2.084 0.467 3.000 1.00 0.00 C ATOM 0 H VAL A 22 -3.864 -1.709 1.572 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.759 0.762 0.317 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.372 -1.292 2.024 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.463 0.359 2.038 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.092 -0.213 0.394 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.467 1.391 0.925 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.305 0.460 3.763 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.335 1.497 2.747 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.971 -0.039 3.382 1.00 0.00 H new ATOM 363 N ALA A 23 -1.568 -0.459 -1.490 1.00 0.00 N ATOM 364 CA ALA A 23 -1.124 -1.132 -2.699 1.00 0.00 C ATOM 365 C ALA A 23 0.396 -1.299 -2.657 1.00 0.00 C ATOM 366 O ALA A 23 1.116 -0.370 -2.292 1.00 0.00 O ATOM 367 CB ALA A 23 -1.590 -0.341 -3.924 1.00 0.00 C ATOM 0 H ALA A 23 -1.310 0.526 -1.431 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.563 -2.128 -2.767 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.257 -0.845 -4.831 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.678 -0.277 -3.923 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.167 0.663 -3.891 1.00 0.00 H new ATOM 373 N ILE A 24 0.839 -2.489 -3.035 1.00 0.00 N ATOM 374 CA ILE A 24 2.261 -2.789 -3.044 1.00 0.00 C ATOM 375 C ILE A 24 2.553 -3.817 -4.139 1.00 0.00 C ATOM 376 O ILE A 24 2.136 -4.970 -4.040 1.00 0.00 O ATOM 377 CB ILE A 24 2.726 -3.223 -1.653 1.00 0.00 C ATOM 378 CG1 ILE A 24 2.008 -2.427 -0.561 1.00 0.00 C ATOM 379 CG2 ILE A 24 4.248 -3.124 -1.528 1.00 0.00 C ATOM 380 CD1 ILE A 24 2.396 -2.931 0.830 1.00 0.00 C ATOM 0 H ILE A 24 0.239 -3.256 -3.337 1.00 0.00 H new ATOM 0 HA ILE A 24 2.838 -1.895 -3.283 1.00 0.00 H new ATOM 0 HB ILE A 24 2.459 -4.271 -1.515 1.00 0.00 H new ATOM 0 HG12 ILE A 24 2.259 -1.370 -0.652 1.00 0.00 H new ATOM 0 HG13 ILE A 24 0.929 -2.511 -0.694 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.552 -3.438 -0.530 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.717 -3.770 -2.270 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.560 -2.093 -1.695 1.00 0.00 H new ATOM 0 HD11 ILE A 24 1.872 -2.348 1.587 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.122 -3.982 0.926 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.472 -2.823 0.969 1.00 0.00 H new ATOM 392 N LYS A 25 3.269 -3.362 -5.157 1.00 0.00 N ATOM 393 CA LYS A 25 3.622 -4.228 -6.269 1.00 0.00 C ATOM 394 C LYS A 25 2.372 -4.514 -7.104 1.00 0.00 C ATOM 395 O LYS A 25 2.386 -5.387 -7.970 1.00 0.00 O ATOM 396 CB LYS A 25 4.325 -5.490 -5.764 1.00 0.00 C ATOM 397 CG LYS A 25 5.690 -5.152 -5.161 1.00 0.00 C ATOM 398 CD LYS A 25 6.705 -4.814 -6.255 1.00 0.00 C ATOM 399 CE LYS A 25 7.095 -6.063 -7.046 1.00 0.00 C ATOM 400 NZ LYS A 25 7.991 -6.926 -6.243 1.00 0.00 N ATOM 0 H LYS A 25 3.614 -2.405 -5.235 1.00 0.00 H new ATOM 0 HA LYS A 25 4.338 -3.732 -6.925 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.704 -5.982 -5.015 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.451 -6.194 -6.586 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.591 -4.308 -4.479 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.051 -5.996 -4.573 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.283 -4.069 -6.930 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.594 -4.371 -5.807 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.200 -6.618 -7.325 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.592 -5.774 -7.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.941 -6.931 -6.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.048 -6.559 -5.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.615 -7.896 -6.225 1.00 0.00 H new ATOM 414 N GLY A 26 1.321 -3.761 -6.815 1.00 0.00 N ATOM 415 CA GLY A 26 0.066 -3.922 -7.529 1.00 0.00 C ATOM 416 C GLY A 26 -0.906 -4.799 -6.737 1.00 0.00 C ATOM 417 O GLY A 26 -1.925 -5.239 -7.268 1.00 0.00 O ATOM 0 H GLY A 26 1.313 -3.038 -6.096 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.383 -2.945 -7.708 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.253 -4.370 -8.505 1.00 0.00 H new ATOM 421 N ARG A 27 -0.558 -5.026 -5.479 1.00 0.00 N ATOM 422 CA ARG A 27 -1.387 -5.842 -4.608 1.00 0.00 C ATOM 423 C ARG A 27 -1.995 -4.984 -3.497 1.00 0.00 C ATOM 424 O ARG A 27 -1.283 -4.243 -2.820 1.00 0.00 O ATOM 425 CB ARG A 27 -0.576 -6.977 -3.981 1.00 0.00 C ATOM 426 CG ARG A 27 -1.466 -8.184 -3.676 1.00 0.00 C ATOM 427 CD ARG A 27 -0.701 -9.243 -2.880 1.00 0.00 C ATOM 428 NE ARG A 27 -0.370 -10.391 -3.753 1.00 0.00 N ATOM 429 CZ ARG A 27 0.447 -11.392 -3.399 1.00 0.00 C ATOM 430 NH1 ARG A 27 1.021 -11.393 -2.188 1.00 0.00 N ATOM 431 NH2 ARG A 27 0.691 -12.393 -4.256 1.00 0.00 N ATOM 0 H ARG A 27 0.287 -4.659 -5.042 1.00 0.00 H new ATOM 0 HA ARG A 27 -2.183 -6.272 -5.216 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.225 -7.273 -4.658 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.104 -6.627 -3.063 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.341 -7.862 -3.112 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.830 -8.617 -4.608 1.00 0.00 H new ATOM 0 HD2 ARG A 27 0.212 -8.812 -2.470 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -1.302 -9.579 -2.035 1.00 0.00 H new ATOM 0 HE ARG A 27 -0.790 -10.422 -4.682 1.00 0.00 H new ATOM 0 HH11 ARG A 27 0.836 -10.631 -1.535 1.00 0.00 H new ATOM 0 HH12 ARG A 27 1.643 -12.155 -1.919 1.00 0.00 H new ATOM 0 HH21 ARG A 27 0.255 -12.393 -5.178 1.00 0.00 H new ATOM 0 HH22 ARG A 27 1.313 -13.155 -3.986 1.00 0.00 H new ATOM 445 N VAL A 28 -3.304 -5.113 -3.342 1.00 0.00 N ATOM 446 CA VAL A 28 -4.016 -4.359 -2.324 1.00 0.00 C ATOM 447 C VAL A 28 -3.994 -5.139 -1.009 1.00 0.00 C ATOM 448 O VAL A 28 -4.440 -6.285 -0.955 1.00 0.00 O ATOM 449 CB VAL A 28 -5.432 -4.037 -2.806 1.00 0.00 C ATOM 450 CG1 VAL A 28 -6.250 -3.372 -1.697 1.00 0.00 C ATOM 451 CG2 VAL A 28 -5.399 -3.164 -4.062 1.00 0.00 C ATOM 0 H VAL A 28 -3.891 -5.729 -3.905 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.524 -3.403 -2.142 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.920 -4.977 -3.065 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.252 -3.153 -2.065 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.316 -4.044 -0.841 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -5.765 -2.444 -1.393 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.418 -2.950 -4.383 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.884 -2.229 -3.842 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.871 -3.690 -4.857 1.00 0.00 H new ATOM 461 N PHE A 29 -3.472 -4.488 0.020 1.00 0.00 N ATOM 462 CA PHE A 29 -3.387 -5.108 1.332 1.00 0.00 C ATOM 463 C PHE A 29 -4.256 -4.363 2.347 1.00 0.00 C ATOM 464 O PHE A 29 -4.564 -3.187 2.162 1.00 0.00 O ATOM 465 CB PHE A 29 -1.924 -5.023 1.772 1.00 0.00 C ATOM 466 CG PHE A 29 -0.987 -5.954 1.001 1.00 0.00 C ATOM 467 CD1 PHE A 29 -1.145 -7.302 1.087 1.00 0.00 C ATOM 468 CD2 PHE A 29 0.004 -5.434 0.228 1.00 0.00 C ATOM 469 CE1 PHE A 29 -0.275 -8.166 0.370 1.00 0.00 C ATOM 470 CE2 PHE A 29 0.874 -6.298 -0.488 1.00 0.00 C ATOM 471 CZ PHE A 29 0.716 -7.646 -0.402 1.00 0.00 C ATOM 0 H PHE A 29 -3.104 -3.538 -0.028 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.738 -6.139 1.280 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.578 -3.996 1.652 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.861 -5.259 2.834 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.932 -7.716 1.700 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.129 -4.364 0.159 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.401 -9.236 0.438 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.661 -5.885 -1.101 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.378 -8.303 -0.947 1.00 0.00 H new ATOM 481 N ASP A 30 -4.629 -5.080 3.398 1.00 0.00 N ATOM 482 CA ASP A 30 -5.457 -4.502 4.442 1.00 0.00 C ATOM 483 C ASP A 30 -4.572 -4.095 5.622 1.00 0.00 C ATOM 484 O ASP A 30 -3.785 -4.900 6.120 1.00 0.00 O ATOM 485 CB ASP A 30 -6.487 -5.512 4.951 1.00 0.00 C ATOM 486 CG ASP A 30 -6.883 -5.349 6.419 1.00 0.00 C ATOM 487 OD1 ASP A 30 -5.954 -5.270 7.252 1.00 0.00 O ATOM 488 OD2 ASP A 30 -8.105 -5.307 6.676 1.00 0.00 O ATOM 0 H ASP A 30 -4.373 -6.056 3.548 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.974 -3.639 4.023 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.385 -5.433 4.338 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.090 -6.517 4.807 1.00 0.00 H new ATOM 493 N VAL A 31 -4.729 -2.846 6.036 1.00 0.00 N ATOM 494 CA VAL A 31 -3.954 -2.323 7.148 1.00 0.00 C ATOM 495 C VAL A 31 -4.893 -1.625 8.134 1.00 0.00 C ATOM 496 O VAL A 31 -4.439 -0.984 9.081 1.00 0.00 O ATOM 497 CB VAL A 31 -2.845 -1.406 6.627 1.00 0.00 C ATOM 498 CG1 VAL A 31 -1.981 -2.126 5.590 1.00 0.00 C ATOM 499 CG2 VAL A 31 -3.427 -0.113 6.054 1.00 0.00 C ATOM 0 H VAL A 31 -5.382 -2.181 5.621 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.462 -3.133 7.686 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.206 -1.141 7.469 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.201 -1.452 5.236 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.523 -3.005 6.045 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.603 -2.435 4.750 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.618 0.521 5.691 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.100 -0.351 5.230 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.979 0.414 6.832 1.00 0.00 H new ATOM 509 N THR A 32 -6.184 -1.772 7.878 1.00 0.00 N ATOM 510 CA THR A 32 -7.191 -1.163 8.731 1.00 0.00 C ATOM 511 C THR A 32 -6.936 -1.523 10.196 1.00 0.00 C ATOM 512 O THR A 32 -7.335 -0.788 11.098 1.00 0.00 O ATOM 513 CB THR A 32 -8.567 -1.604 8.228 1.00 0.00 C ATOM 514 OG1 THR A 32 -9.318 -1.824 9.419 1.00 0.00 O ATOM 515 CG2 THR A 32 -8.531 -2.976 7.551 1.00 0.00 C ATOM 0 H THR A 32 -6.557 -2.304 7.092 1.00 0.00 H new ATOM 0 HA THR A 32 -7.145 -0.075 8.683 1.00 0.00 H new ATOM 0 HB THR A 32 -8.951 -0.863 7.527 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.225 -2.112 9.185 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.533 -3.241 7.213 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.856 -2.942 6.696 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.178 -3.723 8.262 1.00 0.00 H new ATOM 523 N THR A 33 -6.272 -2.653 10.388 1.00 0.00 N ATOM 524 CA THR A 33 -5.959 -3.119 11.728 1.00 0.00 C ATOM 525 C THR A 33 -5.216 -2.034 12.510 1.00 0.00 C ATOM 526 O THR A 33 -5.019 -2.159 13.718 1.00 0.00 O ATOM 527 CB THR A 33 -5.172 -4.425 11.603 1.00 0.00 C ATOM 528 OG1 THR A 33 -4.495 -4.544 12.851 1.00 0.00 O ATOM 529 CG2 THR A 33 -4.042 -4.331 10.575 1.00 0.00 C ATOM 0 H THR A 33 -5.942 -3.260 9.638 1.00 0.00 H new ATOM 0 HA THR A 33 -6.866 -3.323 12.298 1.00 0.00 H new ATOM 0 HB THR A 33 -5.850 -5.232 11.326 1.00 0.00 H new ATOM 0 HG1 THR A 33 -4.885 -3.918 13.496 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.515 -5.284 10.525 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.459 -4.096 9.596 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.346 -3.546 10.871 1.00 0.00 H new ATOM 537 N GLY A 34 -4.824 -0.994 11.790 1.00 0.00 N ATOM 538 CA GLY A 34 -4.108 0.112 12.401 1.00 0.00 C ATOM 539 C GLY A 34 -4.396 1.424 11.668 1.00 0.00 C ATOM 540 O GLY A 34 -3.476 2.173 11.344 1.00 0.00 O ATOM 0 H GLY A 34 -4.989 -0.894 10.788 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.399 0.204 13.447 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.037 -0.090 12.385 1.00 0.00 H new ATOM 544 N LYS A 35 -5.677 1.662 11.428 1.00 0.00 N ATOM 545 CA LYS A 35 -6.098 2.870 10.739 1.00 0.00 C ATOM 546 C LYS A 35 -5.412 4.080 11.376 1.00 0.00 C ATOM 547 O LYS A 35 -5.251 5.117 10.733 1.00 0.00 O ATOM 548 CB LYS A 35 -7.624 2.970 10.717 1.00 0.00 C ATOM 549 CG LYS A 35 -8.131 3.875 11.842 1.00 0.00 C ATOM 550 CD LYS A 35 -9.659 3.958 11.832 1.00 0.00 C ATOM 551 CE LYS A 35 -10.255 3.245 13.047 1.00 0.00 C ATOM 552 NZ LYS A 35 -11.359 2.351 12.634 1.00 0.00 N ATOM 0 H LYS A 35 -6.438 1.038 11.699 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.788 2.840 9.694 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -7.952 3.362 9.754 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.059 1.976 10.821 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.790 3.491 12.804 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -7.708 4.873 11.729 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -9.970 5.003 11.830 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.045 3.509 10.917 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.481 2.667 13.553 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -10.623 3.980 13.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.752 1.875 13.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.104 2.910 12.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.998 1.638 11.968 1.00 0.00 H new ATOM 566 N SER A 36 -5.026 3.908 12.632 1.00 0.00 N ATOM 567 CA SER A 36 -4.360 4.974 13.363 1.00 0.00 C ATOM 568 C SER A 36 -3.041 5.334 12.677 1.00 0.00 C ATOM 569 O SER A 36 -2.477 6.397 12.929 1.00 0.00 O ATOM 570 CB SER A 36 -4.110 4.570 14.817 1.00 0.00 C ATOM 571 OG SER A 36 -5.023 5.201 15.711 1.00 0.00 O ATOM 0 H SER A 36 -5.161 3.047 13.162 1.00 0.00 H new ATOM 0 HA SER A 36 -5.011 5.848 13.364 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.198 3.488 14.913 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.090 4.833 15.096 1.00 0.00 H new ATOM 0 HG SER A 36 -4.832 4.916 16.629 1.00 0.00 H new ATOM 577 N PHE A 37 -2.588 4.428 11.823 1.00 0.00 N ATOM 578 CA PHE A 37 -1.345 4.637 11.100 1.00 0.00 C ATOM 579 C PHE A 37 -1.614 4.927 9.621 1.00 0.00 C ATOM 580 O PHE A 37 -1.004 5.822 9.040 1.00 0.00 O ATOM 581 CB PHE A 37 -0.537 3.343 11.215 1.00 0.00 C ATOM 582 CG PHE A 37 -0.399 2.821 12.646 1.00 0.00 C ATOM 583 CD1 PHE A 37 0.140 3.614 13.610 1.00 0.00 C ATOM 584 CD2 PHE A 37 -0.816 1.564 12.955 1.00 0.00 C ATOM 585 CE1 PHE A 37 0.269 3.130 14.939 1.00 0.00 C ATOM 586 CE2 PHE A 37 -0.687 1.079 14.283 1.00 0.00 C ATOM 587 CZ PHE A 37 -0.148 1.872 15.247 1.00 0.00 C ATOM 0 H PHE A 37 -3.059 3.548 11.616 1.00 0.00 H new ATOM 0 HA PHE A 37 -0.809 5.489 11.519 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.011 2.575 10.603 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.458 3.510 10.803 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.470 4.613 13.365 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.245 0.934 12.190 1.00 0.00 H new ATOM 0 HE1 PHE A 37 0.698 3.760 15.704 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.017 0.080 14.528 1.00 0.00 H new ATOM 0 HZ PHE A 37 -0.051 1.503 16.257 1.00 0.00 H new ATOM 597 N TYR A 38 -2.528 4.151 9.056 1.00 0.00 N ATOM 598 CA TYR A 38 -2.885 4.313 7.657 1.00 0.00 C ATOM 599 C TYR A 38 -4.153 5.156 7.509 1.00 0.00 C ATOM 600 O TYR A 38 -4.276 5.940 6.570 1.00 0.00 O ATOM 601 CB TYR A 38 -3.157 2.905 7.125 1.00 0.00 C ATOM 602 CG TYR A 38 -1.972 2.278 6.388 1.00 0.00 C ATOM 603 CD1 TYR A 38 -1.569 2.789 5.170 1.00 0.00 C ATOM 604 CD2 TYR A 38 -1.306 1.203 6.939 1.00 0.00 C ATOM 605 CE1 TYR A 38 -0.454 2.199 4.476 1.00 0.00 C ATOM 606 CE2 TYR A 38 -0.191 0.613 6.245 1.00 0.00 C ATOM 607 CZ TYR A 38 0.180 1.140 5.048 1.00 0.00 C ATOM 608 OH TYR A 38 1.233 0.583 4.392 1.00 0.00 O ATOM 0 H TYR A 38 -3.032 3.409 9.542 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.087 4.818 7.113 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -3.435 2.260 7.959 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.013 2.942 6.451 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.090 3.631 4.738 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -1.621 0.804 7.892 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -0.128 2.588 3.523 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.339 -0.229 6.666 1.00 0.00 H new ATOM 0 HH TYR A 38 1.366 -0.336 4.707 1.00 0.00 H new ATOM 618 N GLY A 39 -5.066 4.964 8.450 1.00 0.00 N ATOM 619 CA GLY A 39 -6.321 5.696 8.436 1.00 0.00 C ATOM 620 C GLY A 39 -6.075 7.206 8.436 1.00 0.00 C ATOM 621 O GLY A 39 -5.498 7.745 7.492 1.00 0.00 O ATOM 0 H GLY A 39 -4.961 4.312 9.227 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.898 5.418 7.554 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.916 5.421 9.307 1.00 0.00 H new ATOM 625 N SER A 40 -6.524 7.847 9.505 1.00 0.00 N ATOM 626 CA SER A 40 -6.360 9.284 9.640 1.00 0.00 C ATOM 627 C SER A 40 -4.875 9.648 9.585 1.00 0.00 C ATOM 628 O SER A 40 -4.080 8.938 8.972 1.00 0.00 O ATOM 629 CB SER A 40 -6.982 9.789 10.944 1.00 0.00 C ATOM 630 OG SER A 40 -6.030 9.849 12.002 1.00 0.00 O ATOM 0 H SER A 40 -7.001 7.397 10.286 1.00 0.00 H new ATOM 0 HA SER A 40 -6.877 9.767 8.811 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.407 10.779 10.783 1.00 0.00 H new ATOM 0 HB3 SER A 40 -7.803 9.132 11.232 1.00 0.00 H new ATOM 0 HG SER A 40 -6.466 10.178 12.816 1.00 0.00 H new ATOM 636 N GLY A 41 -4.546 10.755 10.235 1.00 0.00 N ATOM 637 CA GLY A 41 -3.170 11.222 10.268 1.00 0.00 C ATOM 638 C GLY A 41 -2.272 10.231 11.009 1.00 0.00 C ATOM 639 O GLY A 41 -1.744 10.543 12.075 1.00 0.00 O ATOM 0 H GLY A 41 -5.208 11.342 10.743 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.804 11.359 9.250 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.124 12.195 10.757 1.00 0.00 H new ATOM 643 N GLY A 42 -2.125 9.055 10.415 1.00 0.00 N ATOM 644 CA GLY A 42 -1.300 8.016 11.005 1.00 0.00 C ATOM 645 C GLY A 42 0.156 8.150 10.555 1.00 0.00 C ATOM 646 O GLY A 42 0.707 9.250 10.541 1.00 0.00 O ATOM 0 H GLY A 42 -2.564 8.800 9.531 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.355 8.076 12.092 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.684 7.036 10.720 1.00 0.00 H new ATOM 650 N ASP A 43 0.739 7.015 10.197 1.00 0.00 N ATOM 651 CA ASP A 43 2.120 6.992 9.748 1.00 0.00 C ATOM 652 C ASP A 43 2.155 6.794 8.231 1.00 0.00 C ATOM 653 O ASP A 43 3.113 7.195 7.571 1.00 0.00 O ATOM 654 CB ASP A 43 2.890 5.838 10.392 1.00 0.00 C ATOM 655 CG ASP A 43 3.808 6.239 11.549 1.00 0.00 C ATOM 656 OD1 ASP A 43 3.262 6.708 12.570 1.00 0.00 O ATOM 657 OD2 ASP A 43 5.036 6.067 11.385 1.00 0.00 O ATOM 0 H ASP A 43 0.279 6.105 10.209 1.00 0.00 H new ATOM 0 HA ASP A 43 2.582 7.937 10.032 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.174 5.101 10.755 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.490 5.348 9.625 1.00 0.00 H new ATOM 662 N TYR A 44 1.098 6.177 7.722 1.00 0.00 N ATOM 663 CA TYR A 44 0.996 5.922 6.295 1.00 0.00 C ATOM 664 C TYR A 44 -0.111 6.769 5.665 1.00 0.00 C ATOM 665 O TYR A 44 -0.820 6.306 4.772 1.00 0.00 O ATOM 666 CB TYR A 44 0.632 4.443 6.157 1.00 0.00 C ATOM 667 CG TYR A 44 1.262 3.544 7.223 1.00 0.00 C ATOM 668 CD1 TYR A 44 2.635 3.426 7.302 1.00 0.00 C ATOM 669 CD2 TYR A 44 0.458 2.851 8.105 1.00 0.00 C ATOM 670 CE1 TYR A 44 3.228 2.580 8.305 1.00 0.00 C ATOM 671 CE2 TYR A 44 1.051 2.006 9.108 1.00 0.00 C ATOM 672 CZ TYR A 44 2.407 1.912 9.159 1.00 0.00 C ATOM 673 OH TYR A 44 2.967 1.113 10.106 1.00 0.00 O ATOM 0 H TYR A 44 0.305 5.846 8.272 1.00 0.00 H new ATOM 0 HA TYR A 44 1.930 6.171 5.792 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.452 4.340 6.205 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.942 4.094 5.172 1.00 0.00 H new ATOM 0 HD1 TYR A 44 3.264 3.968 6.612 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -0.616 2.943 8.043 1.00 0.00 H new ATOM 0 HE1 TYR A 44 4.301 2.478 8.377 1.00 0.00 H new ATOM 0 HE2 TYR A 44 0.433 1.459 9.805 1.00 0.00 H new ATOM 0 HH TYR A 44 2.260 0.700 10.645 1.00 0.00 H new ATOM 683 N SER A 45 -0.226 7.995 6.154 1.00 0.00 N ATOM 684 CA SER A 45 -1.235 8.911 5.650 1.00 0.00 C ATOM 685 C SER A 45 -1.039 9.130 4.148 1.00 0.00 C ATOM 686 O SER A 45 -2.004 9.345 3.417 1.00 0.00 O ATOM 687 CB SER A 45 -1.186 10.247 6.392 1.00 0.00 C ATOM 688 OG SER A 45 -0.287 11.167 5.778 1.00 0.00 O ATOM 0 H SER A 45 0.363 8.376 6.894 1.00 0.00 H new ATOM 0 HA SER A 45 -2.216 8.467 5.821 1.00 0.00 H new ATOM 0 HB2 SER A 45 -2.185 10.682 6.422 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.881 10.077 7.425 1.00 0.00 H new ATOM 0 HG SER A 45 -0.286 12.008 6.281 1.00 0.00 H new ATOM 694 N MET A 46 0.218 9.069 3.733 1.00 0.00 N ATOM 695 CA MET A 46 0.553 9.258 2.332 1.00 0.00 C ATOM 696 C MET A 46 0.352 7.964 1.540 1.00 0.00 C ATOM 697 O MET A 46 0.037 8.002 0.352 1.00 0.00 O ATOM 698 CB MET A 46 2.010 9.709 2.212 1.00 0.00 C ATOM 699 CG MET A 46 2.933 8.805 3.031 1.00 0.00 C ATOM 700 SD MET A 46 3.326 9.582 4.589 1.00 0.00 S ATOM 701 CE MET A 46 3.641 11.249 4.032 1.00 0.00 C ATOM 0 H MET A 46 1.016 8.891 4.342 1.00 0.00 H new ATOM 0 HA MET A 46 -0.108 10.020 1.920 1.00 0.00 H new ATOM 0 HB2 MET A 46 2.314 9.693 1.165 1.00 0.00 H new ATOM 0 HB3 MET A 46 2.105 10.739 2.556 1.00 0.00 H new ATOM 0 HG2 MET A 46 2.451 7.843 3.207 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.848 8.606 2.474 1.00 0.00 H new ATOM 0 HE1 MET A 46 4.386 11.714 4.678 1.00 0.00 H new ATOM 0 HE2 MET A 46 4.013 11.226 3.008 1.00 0.00 H new ATOM 0 HE3 MET A 46 2.717 11.826 4.070 1.00 0.00 H new ATOM 711 N PHE A 47 0.543 6.850 2.231 1.00 0.00 N ATOM 712 CA PHE A 47 0.386 5.547 1.607 1.00 0.00 C ATOM 713 C PHE A 47 -1.090 5.156 1.518 1.00 0.00 C ATOM 714 O PHE A 47 -1.501 4.480 0.575 1.00 0.00 O ATOM 715 CB PHE A 47 1.117 4.536 2.494 1.00 0.00 C ATOM 716 CG PHE A 47 2.544 4.948 2.862 1.00 0.00 C ATOM 717 CD1 PHE A 47 3.177 5.918 2.149 1.00 0.00 C ATOM 718 CD2 PHE A 47 3.179 4.344 3.902 1.00 0.00 C ATOM 719 CE1 PHE A 47 4.501 6.300 2.491 1.00 0.00 C ATOM 720 CE2 PHE A 47 4.503 4.726 4.243 1.00 0.00 C ATOM 721 CZ PHE A 47 5.136 5.696 3.531 1.00 0.00 C ATOM 0 H PHE A 47 0.805 6.823 3.216 1.00 0.00 H new ATOM 0 HA PHE A 47 0.790 5.568 0.595 1.00 0.00 H new ATOM 0 HB2 PHE A 47 0.544 4.391 3.410 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.148 3.574 1.982 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.673 6.397 1.323 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.676 3.574 4.468 1.00 0.00 H new ATOM 0 HE1 PHE A 47 5.004 7.070 1.925 1.00 0.00 H new ATOM 0 HE2 PHE A 47 5.008 4.246 5.068 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.143 5.987 3.791 1.00 0.00 H new ATOM 731 N ALA A 48 -1.847 5.597 2.511 1.00 0.00 N ATOM 732 CA ALA A 48 -3.269 5.301 2.556 1.00 0.00 C ATOM 733 C ALA A 48 -3.868 5.482 1.160 1.00 0.00 C ATOM 734 O ALA A 48 -3.889 6.591 0.629 1.00 0.00 O ATOM 735 CB ALA A 48 -3.944 6.194 3.600 1.00 0.00 C ATOM 0 H ALA A 48 -1.503 6.157 3.291 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.436 4.266 2.855 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -5.011 5.972 3.634 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.503 6.006 4.579 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.800 7.241 3.332 1.00 0.00 H new ATOM 741 N GLY A 49 -4.340 4.375 0.606 1.00 0.00 N ATOM 742 CA GLY A 49 -4.938 4.398 -0.719 1.00 0.00 C ATOM 743 C GLY A 49 -3.921 4.843 -1.772 1.00 0.00 C ATOM 744 O GLY A 49 -4.265 5.565 -2.706 1.00 0.00 O ATOM 0 H GLY A 49 -4.321 3.457 1.050 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -5.315 3.406 -0.969 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -5.792 5.075 -0.725 1.00 0.00 H new ATOM 748 N LYS A 50 -2.688 4.395 -1.584 1.00 0.00 N ATOM 749 CA LYS A 50 -1.619 4.739 -2.506 1.00 0.00 C ATOM 750 C LYS A 50 -0.547 3.648 -2.466 1.00 0.00 C ATOM 751 O LYS A 50 -0.285 3.068 -1.413 1.00 0.00 O ATOM 752 CB LYS A 50 -1.082 6.139 -2.206 1.00 0.00 C ATOM 753 CG LYS A 50 -2.190 7.188 -2.322 1.00 0.00 C ATOM 754 CD LYS A 50 -1.613 8.604 -2.273 1.00 0.00 C ATOM 755 CE LYS A 50 -1.828 9.329 -3.603 1.00 0.00 C ATOM 756 NZ LYS A 50 -0.827 10.406 -3.773 1.00 0.00 N ATOM 0 H LYS A 50 -2.406 3.797 -0.807 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.996 4.780 -3.528 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.658 6.162 -1.202 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.275 6.379 -2.898 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.734 7.045 -3.256 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.907 7.056 -1.512 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.086 9.166 -1.468 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.548 8.559 -2.047 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.752 8.620 -4.427 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.833 9.750 -3.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.130 11.044 -4.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.741 10.943 -2.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.094 9.989 -4.016 1.00 0.00 H new ATOM 770 N ASP A 51 0.045 3.401 -3.626 1.00 0.00 N ATOM 771 CA ASP A 51 1.082 2.390 -3.737 1.00 0.00 C ATOM 772 C ASP A 51 2.391 2.945 -3.172 1.00 0.00 C ATOM 773 O ASP A 51 3.268 3.366 -3.925 1.00 0.00 O ATOM 774 CB ASP A 51 1.323 2.006 -5.198 1.00 0.00 C ATOM 775 CG ASP A 51 2.328 0.872 -5.411 1.00 0.00 C ATOM 776 OD1 ASP A 51 2.987 0.502 -4.415 1.00 0.00 O ATOM 777 OD2 ASP A 51 2.416 0.401 -6.566 1.00 0.00 O ATOM 0 H ASP A 51 -0.174 3.884 -4.497 1.00 0.00 H new ATOM 0 HA ASP A 51 0.756 1.510 -3.182 1.00 0.00 H new ATOM 0 HB2 ASP A 51 0.371 1.716 -5.644 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.672 2.887 -5.737 1.00 0.00 H new ATOM 782 N ALA A 52 2.483 2.927 -1.850 1.00 0.00 N ATOM 783 CA ALA A 52 3.670 3.423 -1.175 1.00 0.00 C ATOM 784 C ALA A 52 4.796 2.396 -1.313 1.00 0.00 C ATOM 785 O ALA A 52 5.319 1.905 -0.314 1.00 0.00 O ATOM 786 CB ALA A 52 3.336 3.729 0.286 1.00 0.00 C ATOM 0 H ALA A 52 1.754 2.576 -1.228 1.00 0.00 H new ATOM 0 HA ALA A 52 4.012 4.351 -1.632 1.00 0.00 H new ATOM 0 HB1 ALA A 52 4.227 4.101 0.793 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.551 4.484 0.329 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.992 2.820 0.779 1.00 0.00 H new ATOM 792 N SER A 53 5.136 2.102 -2.559 1.00 0.00 N ATOM 793 CA SER A 53 6.190 1.142 -2.840 1.00 0.00 C ATOM 794 C SER A 53 7.555 1.754 -2.516 1.00 0.00 C ATOM 795 O SER A 53 8.332 1.179 -1.756 1.00 0.00 O ATOM 796 CB SER A 53 6.146 0.687 -4.301 1.00 0.00 C ATOM 797 OG SER A 53 5.209 -0.367 -4.503 1.00 0.00 O ATOM 0 H SER A 53 4.700 2.512 -3.385 1.00 0.00 H new ATOM 0 HA SER A 53 6.032 0.267 -2.210 1.00 0.00 H new ATOM 0 HB2 SER A 53 5.883 1.533 -4.936 1.00 0.00 H new ATOM 0 HB3 SER A 53 7.138 0.354 -4.607 1.00 0.00 H new ATOM 0 HG SER A 53 4.349 -0.122 -4.102 1.00 0.00 H new ATOM 803 N ARG A 54 7.804 2.912 -3.110 1.00 0.00 N ATOM 804 CA ARG A 54 9.062 3.608 -2.894 1.00 0.00 C ATOM 805 C ARG A 54 9.216 3.979 -1.418 1.00 0.00 C ATOM 806 O ARG A 54 10.270 3.756 -0.825 1.00 0.00 O ATOM 807 CB ARG A 54 9.141 4.878 -3.743 1.00 0.00 C ATOM 808 CG ARG A 54 8.817 4.579 -5.208 1.00 0.00 C ATOM 809 CD ARG A 54 9.522 5.567 -6.139 1.00 0.00 C ATOM 810 NE ARG A 54 8.558 6.578 -6.629 1.00 0.00 N ATOM 811 CZ ARG A 54 8.907 7.786 -7.092 1.00 0.00 C ATOM 812 NH1 ARG A 54 10.198 8.141 -7.132 1.00 0.00 N ATOM 813 NH2 ARG A 54 7.964 8.638 -7.516 1.00 0.00 N ATOM 0 H ARG A 54 7.157 3.386 -3.740 1.00 0.00 H new ATOM 0 HA ARG A 54 9.868 2.936 -3.189 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.444 5.622 -3.357 1.00 0.00 H new ATOM 0 HB3 ARG A 54 10.140 5.308 -3.668 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.124 3.562 -5.452 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.740 4.633 -5.364 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.339 6.058 -5.610 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.962 5.034 -6.982 1.00 0.00 H new ATOM 0 HE ARG A 54 7.566 6.340 -6.613 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.916 7.492 -6.810 1.00 0.00 H new ATOM 0 HH12 ARG A 54 10.463 9.061 -7.485 1.00 0.00 H new ATOM 0 HH21 ARG A 54 6.981 8.367 -7.486 1.00 0.00 H new ATOM 0 HH22 ARG A 54 8.229 9.558 -7.869 1.00 0.00 H new ATOM 827 N ALA A 55 8.149 4.540 -0.867 1.00 0.00 N ATOM 828 CA ALA A 55 8.152 4.944 0.529 1.00 0.00 C ATOM 829 C ALA A 55 8.414 3.721 1.409 1.00 0.00 C ATOM 830 O ALA A 55 9.078 3.824 2.440 1.00 0.00 O ATOM 831 CB ALA A 55 6.827 5.631 0.865 1.00 0.00 C ATOM 0 H ALA A 55 7.277 4.724 -1.362 1.00 0.00 H new ATOM 0 HA ALA A 55 8.949 5.663 0.718 1.00 0.00 H new ATOM 0 HB1 ALA A 55 6.829 5.934 1.912 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.703 6.510 0.233 1.00 0.00 H new ATOM 0 HB3 ALA A 55 6.003 4.939 0.690 1.00 0.00 H new ATOM 837 N LEU A 56 7.879 2.591 0.971 1.00 0.00 N ATOM 838 CA LEU A 56 8.047 1.349 1.706 1.00 0.00 C ATOM 839 C LEU A 56 9.493 0.870 1.567 1.00 0.00 C ATOM 840 O LEU A 56 10.120 0.481 2.552 1.00 0.00 O ATOM 841 CB LEU A 56 7.011 0.316 1.257 1.00 0.00 C ATOM 842 CG LEU A 56 5.672 0.343 1.997 1.00 0.00 C ATOM 843 CD1 LEU A 56 4.783 -0.824 1.565 1.00 0.00 C ATOM 844 CD2 LEU A 56 5.883 0.373 3.512 1.00 0.00 C ATOM 0 H LEU A 56 7.329 2.509 0.116 1.00 0.00 H new ATOM 0 HA LEU A 56 7.865 1.508 2.769 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.819 0.462 0.194 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.445 -0.677 1.369 1.00 0.00 H new ATOM 0 HG LEU A 56 5.151 1.261 1.727 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.838 -0.781 2.106 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.591 -0.758 0.494 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.285 -1.766 1.787 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.916 0.392 4.014 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.434 -0.515 3.820 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.450 1.264 3.783 1.00 0.00 H new ATOM 856 N GLY A 57 9.982 0.914 0.336 1.00 0.00 N ATOM 857 CA GLY A 57 11.343 0.489 0.056 1.00 0.00 C ATOM 858 C GLY A 57 12.350 1.306 0.867 1.00 0.00 C ATOM 859 O GLY A 57 12.858 0.838 1.885 1.00 0.00 O ATOM 0 H GLY A 57 9.460 1.237 -0.478 1.00 0.00 H new ATOM 0 HA2 GLY A 57 11.453 -0.569 0.293 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.551 0.601 -1.008 1.00 0.00 H new ATOM 863 N LYS A 58 12.610 2.513 0.386 1.00 0.00 N ATOM 864 CA LYS A 58 13.547 3.400 1.053 1.00 0.00 C ATOM 865 C LYS A 58 13.106 3.602 2.504 1.00 0.00 C ATOM 866 O LYS A 58 13.901 4.019 3.346 1.00 0.00 O ATOM 867 CB LYS A 58 13.702 4.705 0.270 1.00 0.00 C ATOM 868 CG LYS A 58 13.970 4.427 -1.211 1.00 0.00 C ATOM 869 CD LYS A 58 12.785 4.863 -2.074 1.00 0.00 C ATOM 870 CE LYS A 58 13.250 5.724 -3.250 1.00 0.00 C ATOM 871 NZ LYS A 58 13.288 7.152 -2.864 1.00 0.00 N ATOM 0 H LYS A 58 12.187 2.897 -0.459 1.00 0.00 H new ATOM 0 HA LYS A 58 14.541 2.953 1.080 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.798 5.305 0.373 1.00 0.00 H new ATOM 0 HB3 LYS A 58 14.522 5.289 0.688 1.00 0.00 H new ATOM 0 HG2 LYS A 58 14.869 4.956 -1.527 1.00 0.00 H new ATOM 0 HG3 LYS A 58 14.159 3.363 -1.357 1.00 0.00 H new ATOM 0 HD2 LYS A 58 12.260 3.984 -2.448 1.00 0.00 H new ATOM 0 HD3 LYS A 58 12.075 5.424 -1.466 1.00 0.00 H new ATOM 0 HE2 LYS A 58 14.240 5.403 -3.575 1.00 0.00 H new ATOM 0 HE3 LYS A 58 12.577 5.588 -4.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 13.892 7.676 -3.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.325 7.544 -2.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 13.674 7.242 -1.903 1.00 0.00 H new ATOM 885 N MET A 59 11.841 3.297 2.753 1.00 0.00 N ATOM 886 CA MET A 59 11.285 3.441 4.087 1.00 0.00 C ATOM 887 C MET A 59 11.018 4.911 4.415 1.00 0.00 C ATOM 888 O MET A 59 11.072 5.311 5.577 1.00 0.00 O ATOM 889 CB MET A 59 12.260 2.858 5.112 1.00 0.00 C ATOM 890 CG MET A 59 12.860 1.542 4.611 1.00 0.00 C ATOM 891 SD MET A 59 13.455 0.578 5.991 1.00 0.00 S ATOM 892 CE MET A 59 12.000 -0.396 6.339 1.00 0.00 C ATOM 0 H MET A 59 11.185 2.951 2.053 1.00 0.00 H new ATOM 0 HA MET A 59 10.338 2.902 4.125 1.00 0.00 H new ATOM 0 HB2 MET A 59 13.058 3.574 5.309 1.00 0.00 H new ATOM 0 HB3 MET A 59 11.743 2.690 6.057 1.00 0.00 H new ATOM 0 HG2 MET A 59 12.109 0.977 4.059 1.00 0.00 H new ATOM 0 HG3 MET A 59 13.678 1.745 3.919 1.00 0.00 H new ATOM 0 HE1 MET A 59 11.861 -0.469 7.418 1.00 0.00 H new ATOM 0 HE2 MET A 59 11.128 0.081 5.892 1.00 0.00 H new ATOM 0 HE3 MET A 59 12.122 -1.395 5.920 1.00 0.00 H new ATOM 902 N SER A 60 10.737 5.676 3.371 1.00 0.00 N ATOM 903 CA SER A 60 10.462 7.093 3.533 1.00 0.00 C ATOM 904 C SER A 60 8.951 7.334 3.553 1.00 0.00 C ATOM 905 O SER A 60 8.176 6.472 3.143 1.00 0.00 O ATOM 906 CB SER A 60 11.115 7.912 2.418 1.00 0.00 C ATOM 907 OG SER A 60 11.663 9.134 2.904 1.00 0.00 O ATOM 0 H SER A 60 10.694 5.341 2.409 1.00 0.00 H new ATOM 0 HA SER A 60 10.888 7.417 4.482 1.00 0.00 H new ATOM 0 HB2 SER A 60 11.903 7.323 1.949 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.376 8.128 1.646 1.00 0.00 H new ATOM 0 HG SER A 60 11.399 9.869 2.312 1.00 0.00 H new ATOM 913 N LYS A 61 8.578 8.511 4.035 1.00 0.00 N ATOM 914 CA LYS A 61 7.174 8.876 4.114 1.00 0.00 C ATOM 915 C LYS A 61 6.881 9.982 3.098 1.00 0.00 C ATOM 916 O LYS A 61 6.108 10.897 3.378 1.00 0.00 O ATOM 917 CB LYS A 61 6.796 9.244 5.550 1.00 0.00 C ATOM 918 CG LYS A 61 6.870 8.022 6.467 1.00 0.00 C ATOM 919 CD LYS A 61 6.998 8.442 7.933 1.00 0.00 C ATOM 920 CE LYS A 61 5.730 9.154 8.412 1.00 0.00 C ATOM 921 NZ LYS A 61 5.827 10.609 8.161 1.00 0.00 N ATOM 0 H LYS A 61 9.224 9.224 4.375 1.00 0.00 H new ATOM 0 HA LYS A 61 6.544 8.026 3.851 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.466 10.021 5.919 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.788 9.657 5.570 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.977 7.411 6.337 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.723 7.404 6.187 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.182 7.564 8.552 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.857 9.102 8.052 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.860 8.747 7.896 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.583 8.972 9.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.428 11.128 8.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.825 10.874 8.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.297 10.849 7.299 1.00 0.00 H new ATOM 935 N ASN A 62 7.513 9.860 1.941 1.00 0.00 N ATOM 936 CA ASN A 62 7.330 10.838 0.882 1.00 0.00 C ATOM 937 C ASN A 62 6.041 10.523 0.119 1.00 0.00 C ATOM 938 O ASN A 62 5.820 9.384 -0.289 1.00 0.00 O ATOM 939 CB ASN A 62 8.491 10.796 -0.114 1.00 0.00 C ATOM 940 CG ASN A 62 9.580 11.800 0.271 1.00 0.00 C ATOM 941 OD1 ASN A 62 10.665 11.444 0.699 1.00 0.00 O ATOM 942 ND2 ASN A 62 9.231 13.071 0.094 1.00 0.00 N ATOM 0 H ASN A 62 8.153 9.099 1.713 1.00 0.00 H new ATOM 0 HA ASN A 62 7.284 11.826 1.340 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.912 9.791 -0.145 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.124 11.019 -1.116 1.00 0.00 H new ATOM 0 HD21 ASN A 62 9.889 13.817 0.321 1.00 0.00 H new ATOM 0 HD22 ASN A 62 8.306 13.300 -0.269 1.00 0.00 H new ATOM 949 N GLU A 63 5.225 11.553 -0.050 1.00 0.00 N ATOM 950 CA GLU A 63 3.964 11.399 -0.756 1.00 0.00 C ATOM 951 C GLU A 63 4.214 11.219 -2.255 1.00 0.00 C ATOM 952 O GLU A 63 3.355 10.712 -2.975 1.00 0.00 O ATOM 953 CB GLU A 63 3.040 12.590 -0.494 1.00 0.00 C ATOM 954 CG GLU A 63 1.571 12.176 -0.592 1.00 0.00 C ATOM 955 CD GLU A 63 0.817 13.059 -1.589 1.00 0.00 C ATOM 956 OE1 GLU A 63 0.505 14.208 -1.206 1.00 0.00 O ATOM 957 OE2 GLU A 63 0.571 12.566 -2.710 1.00 0.00 O ATOM 0 H GLU A 63 5.412 12.497 0.289 1.00 0.00 H new ATOM 0 HA GLU A 63 3.466 10.505 -0.380 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.241 13.000 0.496 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.247 13.381 -1.215 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.503 11.133 -0.901 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.103 12.248 0.390 1.00 0.00 H new ATOM 964 N GLU A 64 5.394 11.644 -2.681 1.00 0.00 N ATOM 965 CA GLU A 64 5.768 11.536 -4.081 1.00 0.00 C ATOM 966 C GLU A 64 6.473 10.203 -4.341 1.00 0.00 C ATOM 967 O GLU A 64 6.512 9.728 -5.475 1.00 0.00 O ATOM 968 CB GLU A 64 6.648 12.713 -4.507 1.00 0.00 C ATOM 969 CG GLU A 64 6.214 14.002 -3.807 1.00 0.00 C ATOM 970 CD GLU A 64 5.027 14.645 -4.529 1.00 0.00 C ATOM 971 OE1 GLU A 64 5.121 14.777 -5.768 1.00 0.00 O ATOM 972 OE2 GLU A 64 4.054 14.990 -3.824 1.00 0.00 O ATOM 0 H GLU A 64 6.104 12.064 -2.081 1.00 0.00 H new ATOM 0 HA GLU A 64 4.859 11.568 -4.682 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.690 12.498 -4.268 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.589 12.844 -5.588 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.942 13.785 -2.774 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.049 14.702 -3.777 1.00 0.00 H new ATOM 979 N ASP A 65 7.012 9.637 -3.271 1.00 0.00 N ATOM 980 CA ASP A 65 7.713 8.368 -3.369 1.00 0.00 C ATOM 981 C ASP A 65 6.724 7.274 -3.776 1.00 0.00 C ATOM 982 O ASP A 65 6.991 6.502 -4.697 1.00 0.00 O ATOM 983 CB ASP A 65 8.328 7.973 -2.025 1.00 0.00 C ATOM 984 CG ASP A 65 9.835 8.210 -1.909 1.00 0.00 C ATOM 985 OD1 ASP A 65 10.369 8.911 -2.795 1.00 0.00 O ATOM 986 OD2 ASP A 65 10.419 7.685 -0.936 1.00 0.00 O ATOM 0 H ASP A 65 6.977 10.034 -2.332 1.00 0.00 H new ATOM 0 HA ASP A 65 8.505 8.477 -4.110 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.826 8.531 -1.235 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.127 6.917 -1.847 1.00 0.00 H new ATOM 991 N VAL A 66 5.603 7.241 -3.070 1.00 0.00 N ATOM 992 CA VAL A 66 4.573 6.254 -3.347 1.00 0.00 C ATOM 993 C VAL A 66 4.283 6.233 -4.849 1.00 0.00 C ATOM 994 O VAL A 66 3.848 7.235 -5.415 1.00 0.00 O ATOM 995 CB VAL A 66 3.331 6.544 -2.502 1.00 0.00 C ATOM 996 CG1 VAL A 66 3.211 8.038 -2.198 1.00 0.00 C ATOM 997 CG2 VAL A 66 2.068 6.020 -3.188 1.00 0.00 C ATOM 0 H VAL A 66 5.386 7.882 -2.307 1.00 0.00 H new ATOM 0 HA VAL A 66 4.914 5.257 -3.068 1.00 0.00 H new ATOM 0 HB VAL A 66 3.440 6.018 -1.554 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.320 8.216 -1.596 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.092 8.369 -1.649 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.135 8.594 -3.132 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.199 6.239 -2.567 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.953 6.505 -4.157 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.151 4.942 -3.329 1.00 0.00 H new ATOM 1007 N SER A 67 4.536 5.081 -5.452 1.00 0.00 N ATOM 1008 CA SER A 67 4.307 4.916 -6.878 1.00 0.00 C ATOM 1009 C SER A 67 3.444 3.679 -7.130 1.00 0.00 C ATOM 1010 O SER A 67 3.791 2.578 -6.703 1.00 0.00 O ATOM 1011 CB SER A 67 5.630 4.805 -7.638 1.00 0.00 C ATOM 1012 OG SER A 67 5.795 5.862 -8.580 1.00 0.00 O ATOM 0 H SER A 67 4.897 4.252 -4.979 1.00 0.00 H new ATOM 0 HA SER A 67 3.781 5.798 -7.245 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.458 4.819 -6.929 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.671 3.847 -8.157 1.00 0.00 H new ATOM 0 HG SER A 67 6.652 5.756 -9.043 1.00 0.00 H new ATOM 1018 N PRO A 68 2.307 3.906 -7.840 1.00 0.00 N ATOM 1019 CA PRO A 68 1.392 2.822 -8.154 1.00 0.00 C ATOM 1020 C PRO A 68 1.952 1.936 -9.268 1.00 0.00 C ATOM 1021 O PRO A 68 1.280 1.016 -9.732 1.00 0.00 O ATOM 1022 CB PRO A 68 0.089 3.506 -8.537 1.00 0.00 C ATOM 1023 CG PRO A 68 0.456 4.943 -8.873 1.00 0.00 C ATOM 1024 CD PRO A 68 1.864 5.196 -8.362 1.00 0.00 C ATOM 0 HA PRO A 68 1.239 2.144 -7.314 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.376 3.012 -9.390 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -0.628 3.467 -7.717 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.405 5.108 -9.949 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.248 5.635 -8.411 1.00 0.00 H new ATOM 0 HD2 PRO A 68 2.518 5.546 -9.161 1.00 0.00 H new ATOM 0 HD3 PRO A 68 1.872 5.961 -7.586 1.00 0.00 H new ATOM 1032 N SER A 69 3.178 2.245 -9.666 1.00 0.00 N ATOM 1033 CA SER A 69 3.836 1.489 -10.717 1.00 0.00 C ATOM 1034 C SER A 69 5.321 1.322 -10.390 1.00 0.00 C ATOM 1035 O SER A 69 5.938 2.218 -9.815 1.00 0.00 O ATOM 1036 CB SER A 69 3.665 2.170 -12.077 1.00 0.00 C ATOM 1037 OG SER A 69 4.843 2.863 -12.478 1.00 0.00 O ATOM 0 H SER A 69 3.732 3.009 -9.279 1.00 0.00 H new ATOM 0 HA SER A 69 3.370 0.505 -10.773 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.411 1.422 -12.828 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.831 2.870 -12.030 1.00 0.00 H new ATOM 0 HG SER A 69 4.739 3.820 -12.293 1.00 0.00 H new ATOM 1043 N LEU A 70 5.853 0.170 -10.771 1.00 0.00 N ATOM 1044 CA LEU A 70 7.254 -0.125 -10.526 1.00 0.00 C ATOM 1045 C LEU A 70 8.115 0.623 -11.546 1.00 0.00 C ATOM 1046 O LEU A 70 8.963 0.024 -12.205 1.00 0.00 O ATOM 1047 CB LEU A 70 7.489 -1.637 -10.514 1.00 0.00 C ATOM 1048 CG LEU A 70 7.016 -2.380 -9.263 1.00 0.00 C ATOM 1049 CD1 LEU A 70 7.235 -3.888 -9.405 1.00 0.00 C ATOM 1050 CD2 LEU A 70 7.686 -1.819 -8.007 1.00 0.00 C ATOM 0 H LEU A 70 5.338 -0.570 -11.248 1.00 0.00 H new ATOM 0 HA LEU A 70 7.550 0.228 -9.538 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.988 -2.069 -11.380 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.556 -1.820 -10.639 1.00 0.00 H new ATOM 0 HG LEU A 70 5.943 -2.220 -9.155 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.890 -4.392 -8.502 1.00 0.00 H new ATOM 0 HD12 LEU A 70 6.675 -4.258 -10.264 1.00 0.00 H new ATOM 0 HD13 LEU A 70 8.296 -4.089 -9.550 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.333 -2.364 -7.132 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.767 -1.929 -8.091 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.436 -0.763 -7.902 1.00 0.00 H new ATOM 1062 N GLU A 71 7.866 1.921 -11.643 1.00 0.00 N ATOM 1063 CA GLU A 71 8.608 2.757 -12.572 1.00 0.00 C ATOM 1064 C GLU A 71 9.595 3.646 -11.813 1.00 0.00 C ATOM 1065 O GLU A 71 9.622 4.860 -12.012 1.00 0.00 O ATOM 1066 CB GLU A 71 7.660 3.597 -13.430 1.00 0.00 C ATOM 1067 CG GLU A 71 7.211 2.822 -14.670 1.00 0.00 C ATOM 1068 CD GLU A 71 8.138 3.099 -15.856 1.00 0.00 C ATOM 1069 OE1 GLU A 71 9.141 2.364 -15.976 1.00 0.00 O ATOM 1070 OE2 GLU A 71 7.821 4.040 -16.615 1.00 0.00 O ATOM 0 H GLU A 71 7.162 2.414 -11.094 1.00 0.00 H new ATOM 0 HA GLU A 71 9.174 2.110 -13.242 1.00 0.00 H new ATOM 0 HB2 GLU A 71 6.789 3.884 -12.841 1.00 0.00 H new ATOM 0 HB3 GLU A 71 8.158 4.518 -13.733 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.203 1.754 -14.452 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.190 3.103 -14.929 1.00 0.00 H new ATOM 1077 N GLY A 72 10.381 3.008 -10.959 1.00 0.00 N ATOM 1078 CA GLY A 72 11.367 3.727 -10.169 1.00 0.00 C ATOM 1079 C GLY A 72 11.862 2.872 -9.001 1.00 0.00 C ATOM 1080 O GLY A 72 12.978 3.060 -8.519 1.00 0.00 O ATOM 0 H GLY A 72 10.356 2.001 -10.796 1.00 0.00 H new ATOM 0 HA2 GLY A 72 12.209 4.009 -10.801 1.00 0.00 H new ATOM 0 HA3 GLY A 72 10.931 4.651 -9.789 1.00 0.00 H new ATOM 1084 N LEU A 73 11.008 1.951 -8.579 1.00 0.00 N ATOM 1085 CA LEU A 73 11.345 1.067 -7.476 1.00 0.00 C ATOM 1086 C LEU A 73 12.712 0.432 -7.736 1.00 0.00 C ATOM 1087 O LEU A 73 12.807 -0.589 -8.415 1.00 0.00 O ATOM 1088 CB LEU A 73 10.227 0.048 -7.246 1.00 0.00 C ATOM 1089 CG LEU A 73 9.164 0.439 -6.218 1.00 0.00 C ATOM 1090 CD1 LEU A 73 9.779 0.599 -4.826 1.00 0.00 C ATOM 1091 CD2 LEU A 73 8.410 1.696 -6.659 1.00 0.00 C ATOM 0 H LEU A 73 10.083 1.798 -8.981 1.00 0.00 H new ATOM 0 HA LEU A 73 11.427 1.631 -6.547 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.731 -0.139 -8.199 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.679 -0.893 -6.932 1.00 0.00 H new ATOM 0 HG LEU A 73 8.435 -0.369 -6.157 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.002 0.877 -4.115 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.232 -0.343 -4.518 1.00 0.00 H new ATOM 0 HD13 LEU A 73 10.542 1.377 -4.852 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.660 1.952 -5.910 1.00 0.00 H new ATOM 0 HD22 LEU A 73 9.112 2.523 -6.767 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.920 1.510 -7.615 1.00 0.00 H new ATOM 1103 N THR A 74 13.737 1.063 -7.182 1.00 0.00 N ATOM 1104 CA THR A 74 15.095 0.573 -7.346 1.00 0.00 C ATOM 1105 C THR A 74 15.326 -0.659 -6.469 1.00 0.00 C ATOM 1106 O THR A 74 14.410 -1.126 -5.794 1.00 0.00 O ATOM 1107 CB THR A 74 16.054 1.725 -7.040 1.00 0.00 C ATOM 1108 OG1 THR A 74 15.941 1.905 -5.631 1.00 0.00 O ATOM 1109 CG2 THR A 74 15.576 3.055 -7.626 1.00 0.00 C ATOM 0 H THR A 74 13.654 1.909 -6.619 1.00 0.00 H new ATOM 0 HA THR A 74 15.276 0.244 -8.369 1.00 0.00 H new ATOM 0 HB THR A 74 17.043 1.490 -7.434 1.00 0.00 H new ATOM 0 HG1 THR A 74 15.829 2.858 -5.431 1.00 0.00 H new ATOM 0 HG21 THR A 74 16.292 3.839 -7.380 1.00 0.00 H new ATOM 0 HG22 THR A 74 15.493 2.966 -8.709 1.00 0.00 H new ATOM 0 HG23 THR A 74 14.602 3.308 -7.207 1.00 0.00 H new ATOM 1117 N GLU A 75 16.555 -1.152 -6.508 1.00 0.00 N ATOM 1118 CA GLU A 75 16.919 -2.321 -5.726 1.00 0.00 C ATOM 1119 C GLU A 75 16.852 -2.001 -4.231 1.00 0.00 C ATOM 1120 O GLU A 75 16.347 -2.799 -3.443 1.00 0.00 O ATOM 1121 CB GLU A 75 18.307 -2.832 -6.115 1.00 0.00 C ATOM 1122 CG GLU A 75 18.212 -4.174 -6.845 1.00 0.00 C ATOM 1123 CD GLU A 75 19.288 -5.144 -6.350 1.00 0.00 C ATOM 1124 OE1 GLU A 75 19.450 -5.228 -5.114 1.00 0.00 O ATOM 1125 OE2 GLU A 75 19.922 -5.779 -7.220 1.00 0.00 O ATOM 0 H GLU A 75 17.312 -0.763 -7.070 1.00 0.00 H new ATOM 0 HA GLU A 75 16.203 -3.114 -5.941 1.00 0.00 H new ATOM 0 HB2 GLU A 75 18.802 -2.101 -6.754 1.00 0.00 H new ATOM 0 HB3 GLU A 75 18.921 -2.943 -5.222 1.00 0.00 H new ATOM 0 HG2 GLU A 75 17.225 -4.609 -6.688 1.00 0.00 H new ATOM 0 HG3 GLU A 75 18.324 -4.017 -7.918 1.00 0.00 H new ATOM 1132 N LYS A 76 17.369 -0.831 -3.885 1.00 0.00 N ATOM 1133 CA LYS A 76 17.375 -0.395 -2.499 1.00 0.00 C ATOM 1134 C LYS A 76 15.957 -0.492 -1.933 1.00 0.00 C ATOM 1135 O LYS A 76 15.744 -1.100 -0.885 1.00 0.00 O ATOM 1136 CB LYS A 76 17.991 1.000 -2.379 1.00 0.00 C ATOM 1137 CG LYS A 76 16.916 2.084 -2.474 1.00 0.00 C ATOM 1138 CD LYS A 76 17.486 3.456 -2.107 1.00 0.00 C ATOM 1139 CE LYS A 76 17.903 4.229 -3.359 1.00 0.00 C ATOM 1140 NZ LYS A 76 18.276 5.618 -3.010 1.00 0.00 N ATOM 0 H LYS A 76 17.787 -0.171 -4.541 1.00 0.00 H new ATOM 0 HA LYS A 76 18.005 -1.049 -1.896 1.00 0.00 H new ATOM 0 HB2 LYS A 76 18.518 1.088 -1.429 1.00 0.00 H new ATOM 0 HB3 LYS A 76 18.729 1.145 -3.168 1.00 0.00 H new ATOM 0 HG2 LYS A 76 16.512 2.113 -3.486 1.00 0.00 H new ATOM 0 HG3 LYS A 76 16.089 1.840 -1.808 1.00 0.00 H new ATOM 0 HD2 LYS A 76 16.740 4.027 -1.554 1.00 0.00 H new ATOM 0 HD3 LYS A 76 18.346 3.332 -1.448 1.00 0.00 H new ATOM 0 HE2 LYS A 76 18.745 3.730 -3.838 1.00 0.00 H new ATOM 0 HE3 LYS A 76 17.085 4.236 -4.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 18.557 6.129 -3.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 17.463 6.097 -2.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 19.071 5.606 -2.340 1.00 0.00 H new ATOM 1154 N GLU A 77 15.024 0.115 -2.651 1.00 0.00 N ATOM 1155 CA GLU A 77 13.633 0.104 -2.234 1.00 0.00 C ATOM 1156 C GLU A 77 13.007 -1.265 -2.507 1.00 0.00 C ATOM 1157 O GLU A 77 12.241 -1.776 -1.691 1.00 0.00 O ATOM 1158 CB GLU A 77 12.843 1.217 -2.927 1.00 0.00 C ATOM 1159 CG GLU A 77 13.278 1.370 -4.386 1.00 0.00 C ATOM 1160 CD GLU A 77 13.783 2.788 -4.661 1.00 0.00 C ATOM 1161 OE1 GLU A 77 14.755 3.186 -3.984 1.00 0.00 O ATOM 1162 OE2 GLU A 77 13.185 3.441 -5.543 1.00 0.00 O ATOM 0 H GLU A 77 15.205 0.618 -3.520 1.00 0.00 H new ATOM 0 HA GLU A 77 13.595 0.291 -1.161 1.00 0.00 H new ATOM 0 HB2 GLU A 77 11.777 0.993 -2.883 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.993 2.158 -2.398 1.00 0.00 H new ATOM 0 HG2 GLU A 77 14.064 0.650 -4.612 1.00 0.00 H new ATOM 0 HG3 GLU A 77 12.440 1.144 -5.045 1.00 0.00 H new ATOM 1169 N ILE A 78 13.355 -1.820 -3.659 1.00 0.00 N ATOM 1170 CA ILE A 78 12.837 -3.120 -4.050 1.00 0.00 C ATOM 1171 C ILE A 78 13.122 -4.133 -2.940 1.00 0.00 C ATOM 1172 O ILE A 78 12.238 -4.890 -2.544 1.00 0.00 O ATOM 1173 CB ILE A 78 13.394 -3.530 -5.415 1.00 0.00 C ATOM 1174 CG1 ILE A 78 12.658 -2.809 -6.546 1.00 0.00 C ATOM 1175 CG2 ILE A 78 13.361 -5.050 -5.587 1.00 0.00 C ATOM 1176 CD1 ILE A 78 11.746 -3.772 -7.309 1.00 0.00 C ATOM 0 H ILE A 78 13.989 -1.393 -4.334 1.00 0.00 H new ATOM 0 HA ILE A 78 11.755 -3.078 -4.173 1.00 0.00 H new ATOM 0 HB ILE A 78 14.439 -3.223 -5.464 1.00 0.00 H new ATOM 0 HG12 ILE A 78 12.066 -1.990 -6.136 1.00 0.00 H new ATOM 0 HG13 ILE A 78 13.381 -2.367 -7.232 1.00 0.00 H new ATOM 0 HG21 ILE A 78 13.762 -5.314 -6.565 1.00 0.00 H new ATOM 0 HG22 ILE A 78 13.965 -5.517 -4.809 1.00 0.00 H new ATOM 0 HG23 ILE A 78 12.333 -5.403 -5.509 1.00 0.00 H new ATOM 0 HD11 ILE A 78 11.235 -3.234 -8.107 1.00 0.00 H new ATOM 0 HD12 ILE A 78 12.344 -4.576 -7.738 1.00 0.00 H new ATOM 0 HD13 ILE A 78 11.009 -4.193 -6.626 1.00 0.00 H new ATOM 1188 N ASN A 79 14.361 -4.114 -2.470 1.00 0.00 N ATOM 1189 CA ASN A 79 14.774 -5.022 -1.413 1.00 0.00 C ATOM 1190 C ASN A 79 13.770 -4.947 -0.261 1.00 0.00 C ATOM 1191 O ASN A 79 13.251 -5.970 0.183 1.00 0.00 O ATOM 1192 CB ASN A 79 16.151 -4.641 -0.866 1.00 0.00 C ATOM 1193 CG ASN A 79 17.230 -5.593 -1.385 1.00 0.00 C ATOM 1194 OD1 ASN A 79 17.168 -6.798 -1.210 1.00 0.00 O ATOM 1195 ND2 ASN A 79 18.220 -4.986 -2.033 1.00 0.00 N ATOM 0 H ASN A 79 15.092 -3.485 -2.802 1.00 0.00 H new ATOM 0 HA ASN A 79 14.818 -6.028 -1.831 1.00 0.00 H new ATOM 0 HB2 ASN A 79 16.392 -3.619 -1.158 1.00 0.00 H new ATOM 0 HB3 ASN A 79 16.133 -4.666 0.224 1.00 0.00 H new ATOM 0 HD21 ASN A 79 18.989 -5.534 -2.419 1.00 0.00 H new ATOM 0 HD22 ASN A 79 18.211 -3.972 -2.144 1.00 0.00 H new ATOM 1202 N THR A 80 13.527 -3.726 0.191 1.00 0.00 N ATOM 1203 CA THR A 80 12.594 -3.504 1.283 1.00 0.00 C ATOM 1204 C THR A 80 11.153 -3.544 0.771 1.00 0.00 C ATOM 1205 O THR A 80 10.296 -4.192 1.369 1.00 0.00 O ATOM 1206 CB THR A 80 12.963 -2.181 1.958 1.00 0.00 C ATOM 1207 OG1 THR A 80 14.203 -2.454 2.604 1.00 0.00 O ATOM 1208 CG2 THR A 80 12.015 -1.825 3.105 1.00 0.00 C ATOM 0 H THR A 80 13.960 -2.880 -0.179 1.00 0.00 H new ATOM 0 HA THR A 80 12.662 -4.296 2.028 1.00 0.00 H new ATOM 0 HB THR A 80 12.954 -1.381 1.218 1.00 0.00 H new ATOM 0 HG1 THR A 80 14.516 -1.648 3.066 1.00 0.00 H new ATOM 0 HG21 THR A 80 12.321 -0.878 3.549 1.00 0.00 H new ATOM 0 HG22 THR A 80 10.999 -1.734 2.722 1.00 0.00 H new ATOM 0 HG23 THR A 80 12.049 -2.609 3.862 1.00 0.00 H new ATOM 1216 N LEU A 81 10.931 -2.843 -0.331 1.00 0.00 N ATOM 1217 CA LEU A 81 9.609 -2.790 -0.931 1.00 0.00 C ATOM 1218 C LEU A 81 9.143 -4.211 -1.253 1.00 0.00 C ATOM 1219 O LEU A 81 8.091 -4.644 -0.786 1.00 0.00 O ATOM 1220 CB LEU A 81 9.606 -1.853 -2.140 1.00 0.00 C ATOM 1221 CG LEU A 81 8.412 -1.985 -3.088 1.00 0.00 C ATOM 1222 CD1 LEU A 81 8.621 -3.136 -4.074 1.00 0.00 C ATOM 1223 CD2 LEU A 81 7.105 -2.129 -2.307 1.00 0.00 C ATOM 0 H LEU A 81 11.645 -2.307 -0.824 1.00 0.00 H new ATOM 0 HA LEU A 81 8.889 -2.369 -0.229 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.646 -0.825 -1.778 1.00 0.00 H new ATOM 0 HB3 LEU A 81 10.519 -2.026 -2.711 1.00 0.00 H new ATOM 0 HG LEU A 81 8.337 -1.069 -3.673 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.759 -3.209 -4.737 1.00 0.00 H new ATOM 0 HD12 LEU A 81 9.518 -2.951 -4.665 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.736 -4.070 -3.524 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.273 -2.221 -3.005 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.152 -3.019 -1.679 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.957 -1.250 -1.680 1.00 0.00 H new ATOM 1235 N ASN A 82 9.949 -4.897 -2.050 1.00 0.00 N ATOM 1236 CA ASN A 82 9.633 -6.261 -2.441 1.00 0.00 C ATOM 1237 C ASN A 82 9.360 -7.095 -1.188 1.00 0.00 C ATOM 1238 O ASN A 82 8.460 -7.934 -1.180 1.00 0.00 O ATOM 1239 CB ASN A 82 10.801 -6.904 -3.191 1.00 0.00 C ATOM 1240 CG ASN A 82 10.327 -8.097 -4.023 1.00 0.00 C ATOM 1241 OD1 ASN A 82 10.335 -7.879 -5.335 1.00 0.00 O flip ATOM 1242 ND2 ASN A 82 9.978 -9.147 -3.508 1.00 0.00 N flip ATOM 0 H ASN A 82 10.821 -4.534 -2.436 1.00 0.00 H new ATOM 0 HA ASN A 82 8.759 -6.231 -3.092 1.00 0.00 H new ATOM 0 HB2 ASN A 82 11.271 -6.166 -3.841 1.00 0.00 H new ATOM 0 HB3 ASN A 82 11.559 -7.231 -2.479 1.00 0.00 H new ATOM 0 HD21 ASN A 82 9.996 -9.248 -2.493 1.00 0.00 H new ATOM 0 HD22 ASN A 82 9.668 -9.923 -4.092 1.00 0.00 H new ATOM 1249 N ASP A 83 10.153 -6.836 -0.158 1.00 0.00 N ATOM 1250 CA ASP A 83 10.007 -7.553 1.097 1.00 0.00 C ATOM 1251 C ASP A 83 8.783 -7.020 1.845 1.00 0.00 C ATOM 1252 O ASP A 83 8.146 -7.752 2.600 1.00 0.00 O ATOM 1253 CB ASP A 83 11.232 -7.351 1.991 1.00 0.00 C ATOM 1254 CG ASP A 83 12.209 -8.528 2.026 1.00 0.00 C ATOM 1255 OD1 ASP A 83 11.731 -9.668 1.834 1.00 0.00 O ATOM 1256 OD2 ASP A 83 13.411 -8.263 2.242 1.00 0.00 O ATOM 0 H ASP A 83 10.898 -6.140 -0.167 1.00 0.00 H new ATOM 0 HA ASP A 83 9.897 -8.613 0.869 1.00 0.00 H new ATOM 0 HB2 ASP A 83 11.767 -6.464 1.653 1.00 0.00 H new ATOM 0 HB3 ASP A 83 10.892 -7.150 3.007 1.00 0.00 H new ATOM 1261 N TRP A 84 8.492 -5.749 1.609 1.00 0.00 N ATOM 1262 CA TRP A 84 7.356 -5.110 2.251 1.00 0.00 C ATOM 1263 C TRP A 84 6.093 -5.869 1.840 1.00 0.00 C ATOM 1264 O TRP A 84 5.220 -6.123 2.668 1.00 0.00 O ATOM 1265 CB TRP A 84 7.298 -3.621 1.906 1.00 0.00 C ATOM 1266 CG TRP A 84 7.846 -2.706 3.003 1.00 0.00 C ATOM 1267 CD1 TRP A 84 8.767 -1.739 2.887 1.00 0.00 C ATOM 1268 CD2 TRP A 84 7.468 -2.712 4.396 1.00 0.00 C ATOM 1269 NE1 TRP A 84 9.009 -1.124 4.099 1.00 0.00 N ATOM 1270 CE2 TRP A 84 8.194 -1.734 5.045 1.00 0.00 C ATOM 1271 CE3 TRP A 84 6.543 -3.517 5.084 1.00 0.00 C ATOM 1272 CZ2 TRP A 84 8.071 -1.470 6.414 1.00 0.00 C ATOM 1273 CZ3 TRP A 84 6.432 -3.240 6.452 1.00 0.00 C ATOM 1274 CH2 TRP A 84 7.155 -2.259 7.121 1.00 0.00 C ATOM 0 H TRP A 84 9.023 -5.145 0.982 1.00 0.00 H new ATOM 0 HA TRP A 84 7.451 -5.154 3.336 1.00 0.00 H new ATOM 0 HB2 TRP A 84 7.861 -3.449 0.989 1.00 0.00 H new ATOM 0 HB3 TRP A 84 6.263 -3.346 1.701 1.00 0.00 H new ATOM 0 HD1 TRP A 84 9.258 -1.474 1.962 1.00 0.00 H new ATOM 0 HE1 TRP A 84 9.665 -0.362 4.269 1.00 0.00 H new ATOM 0 HE3 TRP A 84 5.964 -4.287 4.596 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 8.651 -0.699 6.899 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 5.735 -3.830 7.028 1.00 0.00 H new ATOM 0 HH2 TRP A 84 7.011 -2.106 8.180 1.00 0.00 H new ATOM 1285 N GLU A 85 6.035 -6.209 0.561 1.00 0.00 N ATOM 1286 CA GLU A 85 4.893 -6.934 0.030 1.00 0.00 C ATOM 1287 C GLU A 85 4.749 -8.286 0.732 1.00 0.00 C ATOM 1288 O GLU A 85 3.649 -8.669 1.129 1.00 0.00 O ATOM 1289 CB GLU A 85 5.013 -7.113 -1.485 1.00 0.00 C ATOM 1290 CG GLU A 85 4.369 -8.426 -1.934 1.00 0.00 C ATOM 1291 CD GLU A 85 5.296 -9.613 -1.662 1.00 0.00 C ATOM 1292 OE1 GLU A 85 6.514 -9.363 -1.530 1.00 0.00 O ATOM 1293 OE2 GLU A 85 4.766 -10.743 -1.592 1.00 0.00 O ATOM 0 H GLU A 85 6.761 -5.996 -0.124 1.00 0.00 H new ATOM 0 HA GLU A 85 3.994 -6.349 0.224 1.00 0.00 H new ATOM 0 HB2 GLU A 85 4.534 -6.276 -1.993 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.064 -7.102 -1.774 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.425 -8.570 -1.409 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.138 -8.377 -2.998 1.00 0.00 H new ATOM 1300 N THR A 86 5.875 -8.971 0.864 1.00 0.00 N ATOM 1301 CA THR A 86 5.887 -10.272 1.511 1.00 0.00 C ATOM 1302 C THR A 86 5.518 -10.135 2.990 1.00 0.00 C ATOM 1303 O THR A 86 4.864 -11.011 3.553 1.00 0.00 O ATOM 1304 CB THR A 86 7.264 -10.900 1.284 1.00 0.00 C ATOM 1305 OG1 THR A 86 7.032 -11.897 0.294 1.00 0.00 O ATOM 1306 CG2 THR A 86 7.756 -11.688 2.500 1.00 0.00 C ATOM 0 H THR A 86 6.785 -8.650 0.534 1.00 0.00 H new ATOM 0 HA THR A 86 5.136 -10.935 1.081 1.00 0.00 H new ATOM 0 HB THR A 86 7.984 -10.118 1.043 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.311 -11.605 -0.302 1.00 0.00 H new ATOM 0 HG21 THR A 86 8.737 -12.113 2.286 1.00 0.00 H new ATOM 0 HG22 THR A 86 7.829 -11.022 3.360 1.00 0.00 H new ATOM 0 HG23 THR A 86 7.053 -12.491 2.722 1.00 0.00 H new ATOM 1314 N LYS A 87 5.954 -9.030 3.576 1.00 0.00 N ATOM 1315 CA LYS A 87 5.677 -8.767 4.978 1.00 0.00 C ATOM 1316 C LYS A 87 4.208 -8.372 5.138 1.00 0.00 C ATOM 1317 O LYS A 87 3.536 -8.827 6.063 1.00 0.00 O ATOM 1318 CB LYS A 87 6.657 -7.731 5.532 1.00 0.00 C ATOM 1319 CG LYS A 87 8.101 -8.223 5.414 1.00 0.00 C ATOM 1320 CD LYS A 87 9.079 -7.047 5.377 1.00 0.00 C ATOM 1321 CE LYS A 87 10.527 -7.537 5.446 1.00 0.00 C ATOM 1322 NZ LYS A 87 10.928 -7.771 6.852 1.00 0.00 N ATOM 0 H LYS A 87 6.497 -8.306 3.106 1.00 0.00 H new ATOM 0 HA LYS A 87 5.831 -9.667 5.573 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.544 -6.792 4.990 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.423 -7.526 6.577 1.00 0.00 H new ATOM 0 HG2 LYS A 87 8.338 -8.872 6.257 1.00 0.00 H new ATOM 0 HG3 LYS A 87 8.212 -8.822 4.510 1.00 0.00 H new ATOM 0 HD2 LYS A 87 8.929 -6.473 4.463 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.878 -6.376 6.212 1.00 0.00 H new ATOM 0 HE2 LYS A 87 10.633 -8.458 4.873 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.189 -6.800 4.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 11.913 -8.103 6.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 10.846 -6.884 7.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 10.307 -8.490 7.275 1.00 0.00 H new ATOM 1336 N PHE A 88 3.752 -7.529 4.224 1.00 0.00 N ATOM 1337 CA PHE A 88 2.374 -7.067 4.252 1.00 0.00 C ATOM 1338 C PHE A 88 1.413 -8.187 3.848 1.00 0.00 C ATOM 1339 O PHE A 88 0.363 -8.362 4.465 1.00 0.00 O ATOM 1340 CB PHE A 88 2.264 -5.926 3.239 1.00 0.00 C ATOM 1341 CG PHE A 88 2.363 -4.531 3.860 1.00 0.00 C ATOM 1342 CD1 PHE A 88 3.290 -4.279 4.822 1.00 0.00 C ATOM 1343 CD2 PHE A 88 1.523 -3.543 3.450 1.00 0.00 C ATOM 1344 CE1 PHE A 88 3.382 -2.985 5.399 1.00 0.00 C ATOM 1345 CE2 PHE A 88 1.614 -2.249 4.027 1.00 0.00 C ATOM 1346 CZ PHE A 88 2.542 -1.997 4.989 1.00 0.00 C ATOM 0 H PHE A 88 4.312 -7.153 3.459 1.00 0.00 H new ATOM 0 HA PHE A 88 2.110 -6.743 5.259 1.00 0.00 H new ATOM 0 HB2 PHE A 88 3.052 -6.038 2.494 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.313 -6.012 2.713 1.00 0.00 H new ATOM 0 HD1 PHE A 88 3.957 -5.064 5.148 1.00 0.00 H new ATOM 0 HD2 PHE A 88 0.787 -3.743 2.686 1.00 0.00 H new ATOM 0 HE1 PHE A 88 4.119 -2.785 6.163 1.00 0.00 H new ATOM 0 HE2 PHE A 88 0.946 -1.465 3.702 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.612 -1.012 5.427 1.00 0.00 H new ATOM 1356 N GLU A 89 1.805 -8.915 2.813 1.00 0.00 N ATOM 1357 CA GLU A 89 0.991 -10.013 2.319 1.00 0.00 C ATOM 1358 C GLU A 89 1.031 -11.187 3.299 1.00 0.00 C ATOM 1359 O GLU A 89 0.159 -12.053 3.272 1.00 0.00 O ATOM 1360 CB GLU A 89 1.444 -10.447 0.924 1.00 0.00 C ATOM 1361 CG GLU A 89 2.551 -11.500 1.010 1.00 0.00 C ATOM 1362 CD GLU A 89 1.990 -12.904 0.775 1.00 0.00 C ATOM 1363 OE1 GLU A 89 0.746 -13.024 0.760 1.00 0.00 O ATOM 1364 OE2 GLU A 89 2.819 -13.827 0.615 1.00 0.00 O ATOM 0 H GLU A 89 2.676 -8.766 2.303 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.040 -9.668 2.239 1.00 0.00 H new ATOM 0 HB2 GLU A 89 0.596 -10.850 0.371 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.803 -9.581 0.369 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.322 -11.284 0.270 1.00 0.00 H new ATOM 0 HG3 GLU A 89 3.027 -11.454 1.990 1.00 0.00 H new ATOM 1371 N ALA A 90 2.054 -11.178 4.142 1.00 0.00 N ATOM 1372 CA ALA A 90 2.220 -12.231 5.129 1.00 0.00 C ATOM 1373 C ALA A 90 1.588 -11.790 6.450 1.00 0.00 C ATOM 1374 O ALA A 90 1.374 -12.608 7.344 1.00 0.00 O ATOM 1375 CB ALA A 90 3.706 -12.564 5.275 1.00 0.00 C ATOM 0 H ALA A 90 2.776 -10.458 4.161 1.00 0.00 H new ATOM 0 HA ALA A 90 1.712 -13.141 4.809 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.831 -13.354 6.016 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.099 -12.900 4.316 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.248 -11.675 5.598 1.00 0.00 H new ATOM 1381 N LYS A 91 1.308 -10.497 6.533 1.00 0.00 N ATOM 1382 CA LYS A 91 0.705 -9.937 7.731 1.00 0.00 C ATOM 1383 C LYS A 91 -0.695 -9.419 7.397 1.00 0.00 C ATOM 1384 O LYS A 91 -1.693 -9.997 7.824 1.00 0.00 O ATOM 1385 CB LYS A 91 1.622 -8.879 8.348 1.00 0.00 C ATOM 1386 CG LYS A 91 2.731 -9.531 9.176 1.00 0.00 C ATOM 1387 CD LYS A 91 2.654 -9.089 10.639 1.00 0.00 C ATOM 1388 CE LYS A 91 3.629 -7.944 10.919 1.00 0.00 C ATOM 1389 NZ LYS A 91 3.198 -7.176 12.109 1.00 0.00 N ATOM 0 H LYS A 91 1.488 -9.821 5.790 1.00 0.00 H new ATOM 0 HA LYS A 91 0.587 -10.706 8.494 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.063 -8.270 7.559 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.038 -8.209 8.979 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.645 -10.616 9.115 1.00 0.00 H new ATOM 0 HG3 LYS A 91 3.704 -9.264 8.762 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.638 -8.771 10.873 1.00 0.00 H new ATOM 0 HD3 LYS A 91 2.882 -9.933 11.290 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.631 -8.342 11.079 1.00 0.00 H new ATOM 0 HE3 LYS A 91 3.683 -7.284 10.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 3.871 -6.403 12.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 2.251 -6.780 11.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 3.169 -7.805 12.937 1.00 0.00 H new ATOM 1403 N TYR A 92 -0.724 -8.334 6.638 1.00 0.00 N ATOM 1404 CA TYR A 92 -1.985 -7.730 6.242 1.00 0.00 C ATOM 1405 C TYR A 92 -2.750 -8.641 5.279 1.00 0.00 C ATOM 1406 O TYR A 92 -2.150 -9.289 4.424 1.00 0.00 O ATOM 1407 CB TYR A 92 -1.623 -6.432 5.519 1.00 0.00 C ATOM 1408 CG TYR A 92 -1.196 -5.297 6.453 1.00 0.00 C ATOM 1409 CD1 TYR A 92 -1.862 -5.098 7.645 1.00 0.00 C ATOM 1410 CD2 TYR A 92 -0.146 -4.473 6.102 1.00 0.00 C ATOM 1411 CE1 TYR A 92 -1.460 -4.030 8.524 1.00 0.00 C ATOM 1412 CE2 TYR A 92 0.255 -3.406 6.981 1.00 0.00 C ATOM 1413 CZ TYR A 92 -0.422 -3.237 8.149 1.00 0.00 C ATOM 1414 OH TYR A 92 -0.042 -2.228 8.979 1.00 0.00 O ATOM 0 H TYR A 92 0.106 -7.857 6.286 1.00 0.00 H new ATOM 0 HA TYR A 92 -2.619 -7.560 7.112 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -0.815 -6.633 4.816 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -2.481 -6.103 4.933 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -2.684 -5.743 7.919 1.00 0.00 H new ATOM 0 HD2 TYR A 92 0.374 -4.629 5.169 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -1.972 -3.863 9.460 1.00 0.00 H new ATOM 0 HE2 TYR A 92 1.075 -2.754 6.719 1.00 0.00 H new ATOM 0 HH TYR A 92 0.713 -1.745 8.583 1.00 0.00 H new ATOM 1424 N PRO A 93 -4.098 -8.660 5.455 1.00 0.00 N ATOM 1425 CA PRO A 93 -4.952 -9.480 4.612 1.00 0.00 C ATOM 1426 C PRO A 93 -5.107 -8.860 3.222 1.00 0.00 C ATOM 1427 O PRO A 93 -5.281 -7.649 3.094 1.00 0.00 O ATOM 1428 CB PRO A 93 -6.267 -9.584 5.366 1.00 0.00 C ATOM 1429 CG PRO A 93 -6.262 -8.445 6.373 1.00 0.00 C ATOM 1430 CD PRO A 93 -4.844 -7.905 6.458 1.00 0.00 C ATOM 0 HA PRO A 93 -4.535 -10.470 4.428 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -7.115 -9.500 4.686 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.355 -10.548 5.867 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -6.952 -7.660 6.064 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -6.596 -8.797 7.349 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.815 -6.835 6.251 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.425 -8.048 7.454 1.00 0.00 H new ATOM 1438 N VAL A 94 -5.039 -9.718 2.215 1.00 0.00 N ATOM 1439 CA VAL A 94 -5.170 -9.270 0.839 1.00 0.00 C ATOM 1440 C VAL A 94 -6.648 -9.274 0.445 1.00 0.00 C ATOM 1441 O VAL A 94 -7.247 -10.335 0.279 1.00 0.00 O ATOM 1442 CB VAL A 94 -4.304 -10.136 -0.078 1.00 0.00 C ATOM 1443 CG1 VAL A 94 -4.329 -9.608 -1.514 1.00 0.00 C ATOM 1444 CG2 VAL A 94 -2.871 -10.229 0.448 1.00 0.00 C ATOM 0 H VAL A 94 -4.895 -10.722 2.325 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.808 -8.247 0.734 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.724 -11.142 -0.084 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.706 -10.241 -2.145 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.353 -9.619 -1.888 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.946 -8.588 -1.533 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.277 -10.850 -0.222 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.436 -9.231 0.498 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.877 -10.673 1.444 1.00 0.00 H new ATOM 1454 N VAL A 95 -7.194 -8.074 0.306 1.00 0.00 N ATOM 1455 CA VAL A 95 -8.590 -7.926 -0.066 1.00 0.00 C ATOM 1456 C VAL A 95 -8.716 -7.972 -1.590 1.00 0.00 C ATOM 1457 O VAL A 95 -9.822 -8.042 -2.124 1.00 0.00 O ATOM 1458 CB VAL A 95 -9.160 -6.643 0.542 1.00 0.00 C ATOM 1459 CG1 VAL A 95 -9.031 -6.654 2.067 1.00 0.00 C ATOM 1460 CG2 VAL A 95 -8.487 -5.406 -0.056 1.00 0.00 C ATOM 0 H VAL A 95 -6.694 -7.196 0.445 1.00 0.00 H new ATOM 0 HA VAL A 95 -9.181 -8.750 0.334 1.00 0.00 H new ATOM 0 HB VAL A 95 -10.221 -6.599 0.296 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -9.444 -5.731 2.474 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -9.578 -7.505 2.472 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -7.979 -6.734 2.343 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -8.911 -4.508 0.394 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -7.416 -5.442 0.145 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -8.654 -5.386 -1.133 1.00 0.00 H new ATOM 1470 N GLY A 96 -7.566 -7.932 -2.248 1.00 0.00 N ATOM 1471 CA GLY A 96 -7.534 -7.968 -3.700 1.00 0.00 C ATOM 1472 C GLY A 96 -6.208 -7.420 -4.232 1.00 0.00 C ATOM 1473 O GLY A 96 -5.340 -7.024 -3.457 1.00 0.00 O ATOM 0 H GLY A 96 -6.650 -7.875 -1.802 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -7.673 -8.992 -4.045 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -8.361 -7.382 -4.100 1.00 0.00 H new ATOM 1477 N ARG A 97 -6.094 -7.416 -5.552 1.00 0.00 N ATOM 1478 CA ARG A 97 -4.889 -6.923 -6.198 1.00 0.00 C ATOM 1479 C ARG A 97 -5.210 -5.702 -7.062 1.00 0.00 C ATOM 1480 O ARG A 97 -6.186 -5.708 -7.811 1.00 0.00 O ATOM 1481 CB ARG A 97 -4.250 -8.005 -7.071 1.00 0.00 C ATOM 1482 CG ARG A 97 -4.207 -7.570 -8.538 1.00 0.00 C ATOM 1483 CD ARG A 97 -2.820 -7.045 -8.913 1.00 0.00 C ATOM 1484 NE ARG A 97 -2.351 -7.698 -10.156 1.00 0.00 N ATOM 1485 CZ ARG A 97 -2.718 -7.318 -11.388 1.00 0.00 C ATOM 1486 NH1 ARG A 97 -3.559 -6.288 -11.549 1.00 0.00 N ATOM 1487 NH2 ARG A 97 -2.242 -7.969 -12.459 1.00 0.00 N ATOM 0 H ARG A 97 -6.816 -7.746 -6.192 1.00 0.00 H new ATOM 0 HA ARG A 97 -4.185 -6.642 -5.415 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -3.239 -8.211 -6.719 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -4.815 -8.932 -6.979 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -4.466 -8.413 -9.179 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -4.953 -6.795 -8.713 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -2.856 -5.964 -9.051 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -2.117 -7.239 -8.103 1.00 0.00 H new ATOM 0 HE ARG A 97 -1.709 -8.486 -10.070 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -3.920 -5.792 -10.734 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -3.838 -5.999 -12.487 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -1.601 -8.753 -12.336 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -2.521 -7.680 -13.397 1.00 0.00 H new ATOM 1501 N VAL A 98 -4.372 -4.685 -6.929 1.00 0.00 N ATOM 1502 CA VAL A 98 -4.555 -3.460 -7.689 1.00 0.00 C ATOM 1503 C VAL A 98 -4.831 -3.810 -9.153 1.00 0.00 C ATOM 1504 O VAL A 98 -4.580 -4.934 -9.584 1.00 0.00 O ATOM 1505 CB VAL A 98 -3.340 -2.548 -7.511 1.00 0.00 C ATOM 1506 CG1 VAL A 98 -3.251 -1.526 -8.647 1.00 0.00 C ATOM 1507 CG2 VAL A 98 -3.372 -1.852 -6.149 1.00 0.00 C ATOM 0 H VAL A 98 -3.564 -4.684 -6.306 1.00 0.00 H new ATOM 0 HA VAL A 98 -5.418 -2.906 -7.319 1.00 0.00 H new ATOM 0 HB VAL A 98 -2.446 -3.170 -7.548 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.379 -0.890 -8.497 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.160 -2.048 -9.600 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.151 -0.911 -8.655 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.497 -1.210 -6.048 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.276 -1.249 -6.070 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -3.365 -2.601 -5.357 1.00 0.00 H new ATOM 1517 N VAL A 99 -5.342 -2.825 -9.877 1.00 0.00 N ATOM 1518 CA VAL A 99 -5.655 -3.015 -11.283 1.00 0.00 C ATOM 1519 C VAL A 99 -5.486 -1.686 -12.022 1.00 0.00 C ATOM 1520 O VAL A 99 -4.411 -1.394 -12.545 1.00 0.00 O ATOM 1521 CB VAL A 99 -7.058 -3.607 -11.433 1.00 0.00 C ATOM 1522 CG1 VAL A 99 -7.000 -5.132 -11.541 1.00 0.00 C ATOM 1523 CG2 VAL A 99 -7.962 -3.174 -10.277 1.00 0.00 C ATOM 0 H VAL A 99 -5.547 -1.893 -9.516 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.966 -3.729 -11.734 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.488 -3.221 -12.357 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -8.010 -5.528 -11.647 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.407 -5.413 -12.412 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.541 -5.543 -10.642 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -8.953 -3.608 -10.408 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -7.537 -3.518 -9.334 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -8.041 -2.087 -10.264 1.00 0.00 H new ATOM 1533 N SER A 100 -6.563 -0.915 -12.042 1.00 0.00 N ATOM 1534 CA SER A 100 -6.548 0.376 -12.708 1.00 0.00 C ATOM 1535 C SER A 100 -7.547 1.322 -12.040 1.00 0.00 C ATOM 1536 O SER A 100 -7.697 2.469 -12.459 1.00 0.00 O ATOM 1537 CB SER A 100 -6.868 0.232 -14.197 1.00 0.00 C ATOM 1538 OG SER A 100 -5.823 -0.428 -14.907 1.00 0.00 O ATOM 0 H SER A 100 -7.453 -1.160 -11.607 1.00 0.00 H new ATOM 0 HA SER A 100 -5.546 0.794 -12.618 1.00 0.00 H new ATOM 0 HB2 SER A 100 -7.796 -0.327 -14.316 1.00 0.00 H new ATOM 0 HB3 SER A 100 -7.033 1.219 -14.629 1.00 0.00 H new ATOM 0 HG SER A 100 -5.130 -0.716 -14.276 1.00 0.00 H new TER 1544 SER A 100