USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 762 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 93 THR OG1 : rot -62:sc= 1.05 USER MOD Set 1.2: A 97 LYS NZ :NH3+ 170:sc= 0.904 (180deg=0) USER MOD Set 2.1: A 78 LYS NZ :NH3+ -151:sc= -2.4! (180deg=-4.53!) USER MOD Set 2.2: A 86 THR OG1 : rot -133:sc= 0.696 USER MOD Set 3.1: A 19 ASN :FLIP amide:sc= -0.194 F(o=-3.1,f=0.11) USER MOD Set 3.2: A 57 LYS NZ :NH3+ -125:sc= 0.308 (180deg=0) USER MOD Set 4.1: A 35 SER OG : rot 140:sc= -0.0334 USER MOD Set 4.2: A 38 ASN : amide:sc= -6.41! C(o=-6.4!,f=-9.9!) USER MOD Set 5.1: A 31 LYS NZ :NH3+ 159:sc= 0.162 (180deg=0) USER MOD Set 5.2: A 33 ASN :FLIP amide:sc= -1.93 F(o=-4,f=-2.5) USER MOD Set 5.3: A 36 LYS NZ :NH3+ 139:sc= -0.699 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -171:sc= -3.2 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS :FLIP no HD1:sc= -0.334 F(o=-1.3,f=-0.33) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 35:sc= 0.902 USER MOD Single : A 51 ASN :FLIP amide:sc= -0.0133 F(o=-0.87,f=-0.013) USER MOD Single : A 56 SER OG : rot -160:sc= -0.563 USER MOD Single : A 64 ASN : amide:sc= -1.15 X(o=-1.1,f=-1.2) USER MOD Single : A 66 GLN :FLIP amide:sc= -2.02! C(o=-3.3!,f=-2!) USER MOD Single : A 71 ASN : amide:sc= -3.81! C(o=-3.8!,f=-9.6!) USER MOD Single : A 74 SER OG : rot 180:sc= -0.0495 USER MOD Single : A 80 ASN :FLIP amide:sc= -3 F(o=-3.9,f=-3) USER MOD Single : A 81 GLN : amide:sc= -0.209 X(o=-0.21,f=-0.045) USER MOD Single : A 84 MET CE :methyl -113:sc= -9.45! (180deg=-15.2!) USER MOD Single : A 90 SER OG : rot 83:sc= 0.938 USER MOD Single : A 91 MET CE :methyl 176:sc= -7.77! (180deg=-8.2!) USER MOD Single : A 92 SER OG : rot -130:sc= 0 USER MOD Single : A 96 ASN :FLIP amide:sc= -4.35! C(o=-7.6!,f=-4.4!) USER MOD Single : A 100 MET CE :methyl -161:sc= -6.15 (180deg=-8.3!) USER MOD Single : A 102 GLN : amide:sc= -0.0134 K(o=-0.013,f=-0.99) USER MOD ----------------------------------------------------------------- ATOM 22 N ARG A 9 -3.862 -8.621 -11.765 1.00 0.00 N ATOM 23 CA ARG A 9 -2.610 -7.999 -11.351 1.00 0.00 C ATOM 24 C ARG A 9 -2.308 -6.778 -12.213 1.00 0.00 C ATOM 25 O ARG A 9 -1.994 -6.904 -13.396 1.00 0.00 O ATOM 26 CB ARG A 9 -1.458 -9.003 -11.439 1.00 0.00 C ATOM 27 CG ARG A 9 -0.897 -9.394 -10.082 1.00 0.00 C ATOM 28 CD ARG A 9 0.532 -8.903 -9.904 1.00 0.00 C ATOM 29 NE ARG A 9 0.875 -8.717 -8.496 1.00 0.00 N ATOM 30 CZ ARG A 9 1.205 -9.711 -7.676 1.00 0.00 C ATOM 31 NH1 ARG A 9 1.238 -10.963 -8.119 1.00 0.00 N ATOM 32 NH2 ARG A 9 1.503 -9.457 -6.410 1.00 0.00 N ATOM 0 HA ARG A 9 -2.715 -7.677 -10.315 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.805 -9.899 -11.953 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.659 -8.577 -12.046 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.526 -8.979 -9.294 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.926 -10.478 -9.974 1.00 0.00 H new ATOM 0 HD2 ARG A 9 1.220 -9.619 -10.353 1.00 0.00 H new ATOM 0 HD3 ARG A 9 0.661 -7.960 -10.436 1.00 0.00 H new ATOM 0 HE ARG A 9 0.861 -7.769 -8.120 1.00 0.00 H new ATOM 0 HH11 ARG A 9 1.010 -11.166 -9.092 1.00 0.00 H new ATOM 0 HH12 ARG A 9 1.492 -11.721 -7.486 1.00 0.00 H new ATOM 0 HH21 ARG A 9 1.480 -8.498 -6.063 1.00 0.00 H new ATOM 0 HH22 ARG A 9 1.756 -10.220 -5.783 1.00 0.00 H new ATOM 46 N GLU A 10 -2.409 -5.597 -11.613 1.00 0.00 N ATOM 47 CA GLU A 10 -2.152 -4.354 -12.330 1.00 0.00 C ATOM 48 C GLU A 10 -1.337 -3.386 -11.477 1.00 0.00 C ATOM 49 O GLU A 10 -1.689 -3.102 -10.332 1.00 0.00 O ATOM 50 CB GLU A 10 -3.472 -3.702 -12.746 1.00 0.00 C ATOM 51 CG GLU A 10 -4.338 -3.275 -11.571 1.00 0.00 C ATOM 52 CD GLU A 10 -5.614 -2.584 -12.009 1.00 0.00 C ATOM 53 OE1 GLU A 10 -5.522 -1.522 -12.658 1.00 0.00 O ATOM 54 OE2 GLU A 10 -6.707 -3.105 -11.701 1.00 0.00 O ATOM 0 H GLU A 10 -2.667 -5.475 -10.634 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.573 -4.592 -13.222 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.258 -2.830 -13.364 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.034 -4.402 -13.365 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.590 -4.151 -10.973 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.768 -2.604 -10.929 1.00 0.00 H new ATOM 61 N PHE A 11 -0.246 -2.881 -12.046 1.00 0.00 N ATOM 62 CA PHE A 11 0.619 -1.940 -11.342 1.00 0.00 C ATOM 63 C PHE A 11 0.132 -0.509 -11.540 1.00 0.00 C ATOM 64 O PHE A 11 -0.326 -0.145 -12.624 1.00 0.00 O ATOM 65 CB PHE A 11 2.062 -2.075 -11.835 1.00 0.00 C ATOM 66 CG PHE A 11 2.822 -3.192 -11.178 1.00 0.00 C ATOM 67 CD1 PHE A 11 2.232 -4.432 -10.991 1.00 0.00 C ATOM 68 CD2 PHE A 11 4.124 -3.001 -10.749 1.00 0.00 C ATOM 69 CE1 PHE A 11 2.929 -5.461 -10.387 1.00 0.00 C ATOM 70 CE2 PHE A 11 4.827 -4.027 -10.145 1.00 0.00 C ATOM 71 CZ PHE A 11 4.228 -5.258 -9.964 1.00 0.00 C ATOM 0 H PHE A 11 0.060 -3.108 -12.992 1.00 0.00 H new ATOM 0 HA PHE A 11 0.584 -2.174 -10.278 1.00 0.00 H new ATOM 0 HB2 PHE A 11 2.055 -2.237 -12.913 1.00 0.00 H new ATOM 0 HB3 PHE A 11 2.587 -1.136 -11.657 1.00 0.00 H new ATOM 0 HD1 PHE A 11 1.217 -4.596 -11.321 1.00 0.00 H new ATOM 0 HD2 PHE A 11 4.596 -2.040 -10.888 1.00 0.00 H new ATOM 0 HE1 PHE A 11 2.459 -6.423 -10.246 1.00 0.00 H new ATOM 0 HE2 PHE A 11 5.843 -3.866 -9.815 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.775 -6.061 -9.492 1.00 0.00 H new ATOM 81 N LEU A 12 0.231 0.301 -10.490 1.00 0.00 N ATOM 82 CA LEU A 12 -0.207 1.690 -10.559 1.00 0.00 C ATOM 83 C LEU A 12 0.772 2.616 -9.847 1.00 0.00 C ATOM 84 O LEU A 12 1.219 2.330 -8.736 1.00 0.00 O ATOM 85 CB LEU A 12 -1.600 1.840 -9.944 1.00 0.00 C ATOM 86 CG LEU A 12 -2.581 0.717 -10.279 1.00 0.00 C ATOM 87 CD1 LEU A 12 -3.597 0.545 -9.161 1.00 0.00 C ATOM 88 CD2 LEU A 12 -3.281 0.998 -11.601 1.00 0.00 C ATOM 0 H LEU A 12 0.609 0.020 -9.585 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.244 1.974 -11.611 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.497 1.900 -8.861 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.027 2.786 -10.277 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.020 -0.213 -10.378 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.287 -0.259 -9.417 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.080 0.298 -8.234 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.154 1.473 -9.029 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.976 0.188 -11.824 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.829 1.937 -11.530 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.540 1.070 -12.397 1.00 0.00 H new ATOM 100 N THR A 13 1.087 3.734 -10.490 1.00 0.00 N ATOM 101 CA THR A 13 2.000 4.718 -9.921 1.00 0.00 C ATOM 102 C THR A 13 1.214 5.876 -9.315 1.00 0.00 C ATOM 103 O THR A 13 0.201 6.299 -9.869 1.00 0.00 O ATOM 104 CB THR A 13 2.958 5.241 -10.993 1.00 0.00 C ATOM 105 OG1 THR A 13 3.568 4.170 -11.691 1.00 0.00 O ATOM 106 CG2 THR A 13 4.060 6.113 -10.433 1.00 0.00 C ATOM 0 H THR A 13 0.722 3.982 -11.409 1.00 0.00 H new ATOM 0 HA THR A 13 2.583 4.236 -9.136 1.00 0.00 H new ATOM 0 HB THR A 13 2.342 5.843 -11.661 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.175 4.527 -12.373 1.00 0.00 H new ATOM 0 HG21 THR A 13 4.704 6.451 -11.245 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.622 6.977 -9.933 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.649 5.540 -9.717 1.00 0.00 H new ATOM 114 N PHE A 14 1.674 6.378 -8.174 1.00 0.00 N ATOM 115 CA PHE A 14 0.987 7.477 -7.509 1.00 0.00 C ATOM 116 C PHE A 14 1.953 8.577 -7.075 1.00 0.00 C ATOM 117 O PHE A 14 2.844 8.353 -6.255 1.00 0.00 O ATOM 118 CB PHE A 14 0.216 6.959 -6.293 1.00 0.00 C ATOM 119 CG PHE A 14 -0.857 5.966 -6.636 1.00 0.00 C ATOM 120 CD1 PHE A 14 -1.677 6.162 -7.737 1.00 0.00 C ATOM 121 CD2 PHE A 14 -1.046 4.836 -5.858 1.00 0.00 C ATOM 122 CE1 PHE A 14 -2.664 5.250 -8.054 1.00 0.00 C ATOM 123 CE2 PHE A 14 -2.033 3.920 -6.171 1.00 0.00 C ATOM 124 CZ PHE A 14 -2.842 4.128 -7.269 1.00 0.00 C ATOM 0 H PHE A 14 2.511 6.045 -7.695 1.00 0.00 H new ATOM 0 HA PHE A 14 0.292 7.908 -8.229 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.918 6.497 -5.599 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.236 7.804 -5.774 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.542 7.038 -8.354 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -0.415 4.669 -4.997 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -3.296 5.414 -8.914 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.171 3.043 -5.557 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.614 3.414 -7.514 1.00 0.00 H new ATOM 134 N GLU A 15 1.747 9.774 -7.617 1.00 0.00 N ATOM 135 CA GLU A 15 2.572 10.929 -7.278 1.00 0.00 C ATOM 136 C GLU A 15 1.859 11.769 -6.225 1.00 0.00 C ATOM 137 O GLU A 15 0.924 12.505 -6.539 1.00 0.00 O ATOM 138 CB GLU A 15 2.850 11.770 -8.526 1.00 0.00 C ATOM 139 CG GLU A 15 3.444 10.974 -9.676 1.00 0.00 C ATOM 140 CD GLU A 15 2.419 10.639 -10.743 1.00 0.00 C ATOM 141 OE1 GLU A 15 1.231 10.481 -10.396 1.00 0.00 O ATOM 142 OE2 GLU A 15 2.807 10.535 -11.926 1.00 0.00 O ATOM 0 H GLU A 15 1.012 9.970 -8.296 1.00 0.00 H new ATOM 0 HA GLU A 15 3.525 10.583 -6.878 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.920 12.232 -8.857 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.532 12.579 -8.264 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.258 11.543 -10.125 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.876 10.051 -9.289 1.00 0.00 H new ATOM 149 N VAL A 16 2.281 11.634 -4.973 1.00 0.00 N ATOM 150 CA VAL A 16 1.650 12.365 -3.878 1.00 0.00 C ATOM 151 C VAL A 16 2.459 13.592 -3.462 1.00 0.00 C ATOM 152 O VAL A 16 3.565 13.467 -2.937 1.00 0.00 O ATOM 153 CB VAL A 16 1.436 11.464 -2.642 1.00 0.00 C ATOM 154 CG1 VAL A 16 0.100 11.778 -1.983 1.00 0.00 C ATOM 155 CG2 VAL A 16 1.511 9.989 -3.016 1.00 0.00 C ATOM 0 H VAL A 16 3.052 11.029 -4.691 1.00 0.00 H new ATOM 0 HA VAL A 16 0.683 12.695 -4.257 1.00 0.00 H new ATOM 0 HB VAL A 16 2.236 11.671 -1.931 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.037 11.135 -1.113 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.086 12.822 -1.669 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.707 11.602 -2.695 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.357 9.380 -2.126 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.739 9.760 -3.751 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.491 9.770 -3.440 1.00 0.00 H new ATOM 165 N PRO A 17 1.908 14.803 -3.680 1.00 0.00 N ATOM 166 CA PRO A 17 2.573 16.053 -3.316 1.00 0.00 C ATOM 167 C PRO A 17 2.356 16.412 -1.851 1.00 0.00 C ATOM 168 O PRO A 17 1.332 16.992 -1.494 1.00 0.00 O ATOM 169 CB PRO A 17 1.889 17.071 -4.223 1.00 0.00 C ATOM 170 CG PRO A 17 0.500 16.554 -4.380 1.00 0.00 C ATOM 171 CD PRO A 17 0.587 15.049 -4.294 1.00 0.00 C ATOM 0 HA PRO A 17 3.655 16.003 -3.438 1.00 0.00 H new ATOM 0 HB2 PRO A 17 1.895 18.066 -3.778 1.00 0.00 H new ATOM 0 HB3 PRO A 17 2.395 17.149 -5.185 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.151 16.950 -3.600 1.00 0.00 H new ATOM 0 HG3 PRO A 17 0.077 16.864 -5.336 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.219 14.636 -3.687 1.00 0.00 H new ATOM 0 HD3 PRO A 17 0.512 14.588 -5.279 1.00 0.00 H new ATOM 179 N LEU A 18 3.327 16.070 -1.004 1.00 0.00 N ATOM 180 CA LEU A 18 3.229 16.361 0.422 1.00 0.00 C ATOM 181 C LEU A 18 3.755 17.755 0.742 1.00 0.00 C ATOM 182 O LEU A 18 4.143 18.050 1.872 1.00 0.00 O ATOM 183 CB LEU A 18 3.984 15.305 1.225 1.00 0.00 C ATOM 184 CG LEU A 18 5.495 15.474 1.233 1.00 0.00 C ATOM 185 CD1 LEU A 18 5.949 16.182 2.505 1.00 0.00 C ATOM 186 CD2 LEU A 18 6.181 14.122 1.097 1.00 0.00 C ATOM 0 H LEU A 18 4.185 15.594 -1.281 1.00 0.00 H new ATOM 0 HA LEU A 18 2.176 16.334 0.702 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.624 15.324 2.254 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.744 14.321 0.822 1.00 0.00 H new ATOM 0 HG LEU A 18 5.778 16.091 0.380 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.033 16.294 2.492 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.484 17.166 2.560 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.655 15.593 3.374 1.00 0.00 H new ATOM 0 HD21 LEU A 18 7.262 14.260 1.104 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.891 13.482 1.930 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.881 13.655 0.159 1.00 0.00 H new ATOM 198 N ASN A 19 3.756 18.606 -0.271 1.00 0.00 N ATOM 199 CA ASN A 19 4.217 19.982 -0.151 1.00 0.00 C ATOM 200 C ASN A 19 3.750 20.647 1.146 1.00 0.00 C ATOM 201 O ASN A 19 4.405 21.560 1.651 1.00 0.00 O ATOM 202 CB ASN A 19 3.721 20.785 -1.356 1.00 0.00 C ATOM 203 CG ASN A 19 2.247 21.159 -1.255 1.00 0.00 C ATOM 204 OD1 ASN A 19 1.400 20.195 -0.887 1.00 0.00 O flip ATOM 205 ND2 ASN A 19 1.872 22.304 -1.506 1.00 0.00 N flip ATOM 0 H ASN A 19 3.435 18.361 -1.207 1.00 0.00 H new ATOM 0 HA ASN A 19 5.307 19.966 -0.125 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.315 21.694 -1.450 1.00 0.00 H new ATOM 0 HB3 ASN A 19 3.882 20.204 -2.264 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.550 23.013 -1.784 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.883 22.544 -1.436 1.00 0.00 H new ATOM 212 N ASP A 20 2.614 20.203 1.678 1.00 0.00 N ATOM 213 CA ASP A 20 2.079 20.787 2.906 1.00 0.00 C ATOM 214 C ASP A 20 1.340 19.757 3.759 1.00 0.00 C ATOM 215 O ASP A 20 0.521 20.119 4.603 1.00 0.00 O ATOM 216 CB ASP A 20 1.143 21.948 2.570 1.00 0.00 C ATOM 217 CG ASP A 20 0.038 21.541 1.614 1.00 0.00 C ATOM 218 OD1 ASP A 20 -0.699 20.584 1.931 1.00 0.00 O ATOM 219 OD2 ASP A 20 -0.090 22.181 0.548 1.00 0.00 O ATOM 0 H ASP A 20 2.051 19.449 1.284 1.00 0.00 H new ATOM 0 HA ASP A 20 2.925 21.152 3.488 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.701 22.333 3.489 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.720 22.761 2.129 1.00 0.00 H new ATOM 224 N SER A 21 1.639 18.481 3.549 1.00 0.00 N ATOM 225 CA SER A 21 1.000 17.417 4.319 1.00 0.00 C ATOM 226 C SER A 21 2.008 16.729 5.239 1.00 0.00 C ATOM 227 O SER A 21 1.631 15.957 6.119 1.00 0.00 O ATOM 228 CB SER A 21 0.354 16.391 3.390 1.00 0.00 C ATOM 229 OG SER A 21 1.324 15.749 2.585 1.00 0.00 O ATOM 0 H SER A 21 2.315 18.157 2.857 1.00 0.00 H new ATOM 0 HA SER A 21 0.223 17.871 4.934 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.182 15.648 3.981 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.382 16.884 2.754 1.00 0.00 H new ATOM 0 HG SER A 21 0.876 15.204 1.905 1.00 0.00 H new ATOM 235 N GLY A 22 3.294 17.012 5.027 1.00 0.00 N ATOM 236 CA GLY A 22 4.334 16.413 5.844 1.00 0.00 C ATOM 237 C GLY A 22 4.094 16.608 7.329 1.00 0.00 C ATOM 238 O GLY A 22 4.509 15.785 8.144 1.00 0.00 O ATOM 0 H GLY A 22 3.632 17.646 4.303 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.393 15.347 5.626 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.297 16.847 5.575 1.00 0.00 H new ATOM 242 N SER A 23 3.418 17.700 7.682 1.00 0.00 N ATOM 243 CA SER A 23 3.119 17.995 9.080 1.00 0.00 C ATOM 244 C SER A 23 2.458 16.796 9.753 1.00 0.00 C ATOM 245 O SER A 23 2.634 16.564 10.950 1.00 0.00 O ATOM 246 CB SER A 23 2.207 19.220 9.180 1.00 0.00 C ATOM 247 OG SER A 23 0.851 18.867 8.967 1.00 0.00 O ATOM 0 H SER A 23 3.068 18.393 7.020 1.00 0.00 H new ATOM 0 HA SER A 23 4.057 18.208 9.593 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.316 19.679 10.163 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.512 19.965 8.445 1.00 0.00 H new ATOM 0 HG SER A 23 0.290 19.667 9.038 1.00 0.00 H new ATOM 253 N ALA A 24 1.705 16.036 8.969 1.00 0.00 N ATOM 254 CA ALA A 24 1.020 14.852 9.471 1.00 0.00 C ATOM 255 C ALA A 24 1.673 13.578 8.943 1.00 0.00 C ATOM 256 O ALA A 24 1.517 12.502 9.519 1.00 0.00 O ATOM 257 CB ALA A 24 -0.451 14.890 9.085 1.00 0.00 C ATOM 0 H ALA A 24 1.553 16.220 7.977 1.00 0.00 H new ATOM 0 HA ALA A 24 1.099 14.849 10.558 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.950 13.999 9.466 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.916 15.778 9.512 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.542 14.920 7.999 1.00 0.00 H new ATOM 263 N GLY A 25 2.401 13.708 7.837 1.00 0.00 N ATOM 264 CA GLY A 25 3.062 12.563 7.241 1.00 0.00 C ATOM 265 C GLY A 25 2.395 12.128 5.954 1.00 0.00 C ATOM 266 O GLY A 25 2.076 10.953 5.778 1.00 0.00 O ATOM 0 H GLY A 25 2.544 14.589 7.343 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.105 12.809 7.043 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.059 11.734 7.949 1.00 0.00 H new ATOM 270 N LEU A 26 2.181 13.089 5.057 1.00 0.00 N ATOM 271 CA LEU A 26 1.544 12.833 3.765 1.00 0.00 C ATOM 272 C LEU A 26 0.026 12.760 3.893 1.00 0.00 C ATOM 273 O LEU A 26 -0.696 13.420 3.146 1.00 0.00 O ATOM 274 CB LEU A 26 2.072 11.544 3.129 1.00 0.00 C ATOM 275 CG LEU A 26 1.683 11.350 1.662 1.00 0.00 C ATOM 276 CD1 LEU A 26 2.245 12.478 0.811 1.00 0.00 C ATOM 277 CD2 LEU A 26 2.171 10.005 1.154 1.00 0.00 C ATOM 0 H LEU A 26 2.443 14.064 5.204 1.00 0.00 H new ATOM 0 HA LEU A 26 1.797 13.672 3.117 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.159 11.535 3.207 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.704 10.694 3.704 1.00 0.00 H new ATOM 0 HG LEU A 26 0.596 11.370 1.588 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.960 12.325 -0.230 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.847 13.431 1.161 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.332 12.488 0.891 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.885 9.885 0.109 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.256 9.955 1.241 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.722 9.208 1.747 1.00 0.00 H new ATOM 289 N GLY A 27 -0.457 11.951 4.829 1.00 0.00 N ATOM 290 CA GLY A 27 -1.883 11.809 5.014 1.00 0.00 C ATOM 291 C GLY A 27 -2.385 10.459 4.547 1.00 0.00 C ATOM 292 O GLY A 27 -3.229 10.378 3.656 1.00 0.00 O ATOM 0 H GLY A 27 0.116 11.392 5.461 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.127 11.941 6.068 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.400 12.597 4.466 1.00 0.00 H new ATOM 296 N VAL A 28 -1.870 9.397 5.159 1.00 0.00 N ATOM 297 CA VAL A 28 -2.276 8.039 4.809 1.00 0.00 C ATOM 298 C VAL A 28 -1.663 7.013 5.757 1.00 0.00 C ATOM 299 O VAL A 28 -0.610 7.247 6.349 1.00 0.00 O ATOM 300 CB VAL A 28 -1.881 7.668 3.359 1.00 0.00 C ATOM 301 CG1 VAL A 28 -3.087 7.730 2.439 1.00 0.00 C ATOM 302 CG2 VAL A 28 -0.764 8.566 2.848 1.00 0.00 C ATOM 0 H VAL A 28 -1.171 9.450 5.900 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.362 8.018 4.897 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.510 6.643 3.365 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.785 7.466 1.425 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.846 7.029 2.786 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.497 8.740 2.444 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.507 8.282 1.827 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.096 9.604 2.864 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.112 8.456 3.487 1.00 0.00 H new ATOM 312 N SER A 29 -2.330 5.870 5.883 1.00 0.00 N ATOM 313 CA SER A 29 -1.855 4.792 6.743 1.00 0.00 C ATOM 314 C SER A 29 -1.870 3.471 5.983 1.00 0.00 C ATOM 315 O SER A 29 -2.728 3.250 5.129 1.00 0.00 O ATOM 316 CB SER A 29 -2.726 4.687 7.996 1.00 0.00 C ATOM 317 OG SER A 29 -2.024 4.057 9.054 1.00 0.00 O ATOM 0 H SER A 29 -3.204 5.666 5.398 1.00 0.00 H new ATOM 0 HA SER A 29 -0.832 5.014 7.047 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.042 5.683 8.307 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.630 4.122 7.768 1.00 0.00 H new ATOM 0 HG SER A 29 -2.602 4.004 9.844 1.00 0.00 H new ATOM 323 N VAL A 30 -0.916 2.597 6.286 1.00 0.00 N ATOM 324 CA VAL A 30 -0.832 1.307 5.614 1.00 0.00 C ATOM 325 C VAL A 30 -0.561 0.174 6.596 1.00 0.00 C ATOM 326 O VAL A 30 0.190 0.336 7.559 1.00 0.00 O ATOM 327 CB VAL A 30 0.264 1.304 4.530 1.00 0.00 C ATOM 328 CG1 VAL A 30 -0.258 1.933 3.247 1.00 0.00 C ATOM 329 CG2 VAL A 30 1.508 2.028 5.021 1.00 0.00 C ATOM 0 H VAL A 30 -0.194 2.758 6.989 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.802 1.144 5.144 1.00 0.00 H new ATOM 0 HB VAL A 30 0.538 0.270 4.318 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.527 1.923 2.491 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.116 1.365 2.886 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.560 2.962 3.443 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.269 2.014 4.241 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.256 3.060 5.264 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.892 1.529 5.911 1.00 0.00 H new ATOM 339 N LYS A 31 -1.180 -0.973 6.339 1.00 0.00 N ATOM 340 CA LYS A 31 -1.015 -2.145 7.188 1.00 0.00 C ATOM 341 C LYS A 31 -0.390 -3.294 6.402 1.00 0.00 C ATOM 342 O LYS A 31 -0.695 -3.493 5.227 1.00 0.00 O ATOM 343 CB LYS A 31 -2.367 -2.561 7.780 1.00 0.00 C ATOM 344 CG LYS A 31 -3.248 -3.340 6.820 1.00 0.00 C ATOM 345 CD LYS A 31 -2.878 -4.809 6.818 1.00 0.00 C ATOM 346 CE LYS A 31 -4.087 -5.690 6.551 1.00 0.00 C ATOM 347 NZ LYS A 31 -4.762 -6.103 7.812 1.00 0.00 N ATOM 0 H LYS A 31 -1.804 -1.115 5.545 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.342 -1.892 8.007 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.192 -3.167 8.669 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.901 -1.667 8.103 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.294 -3.225 7.105 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -3.145 -2.933 5.814 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.118 -4.992 6.058 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.438 -5.075 7.779 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.795 -5.153 5.919 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.775 -6.577 5.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.742 -6.384 7.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.253 -6.907 8.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.764 -5.307 8.481 1.00 0.00 H new ATOM 361 N GLY A 32 0.492 -4.043 7.056 1.00 0.00 N ATOM 362 CA GLY A 32 1.149 -5.156 6.397 1.00 0.00 C ATOM 363 C GLY A 32 0.608 -6.501 6.841 1.00 0.00 C ATOM 364 O GLY A 32 0.349 -6.712 8.025 1.00 0.00 O ATOM 0 H GLY A 32 0.763 -3.899 8.029 1.00 0.00 H new ATOM 0 HA2 GLY A 32 1.027 -5.058 5.318 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.219 -5.114 6.601 1.00 0.00 H new ATOM 368 N ASN A 33 0.435 -7.409 5.887 1.00 0.00 N ATOM 369 CA ASN A 33 -0.081 -8.740 6.184 1.00 0.00 C ATOM 370 C ASN A 33 0.894 -9.822 5.729 1.00 0.00 C ATOM 371 O ASN A 33 1.651 -9.632 4.777 1.00 0.00 O ATOM 372 CB ASN A 33 -1.439 -8.945 5.508 1.00 0.00 C ATOM 373 CG ASN A 33 -2.587 -8.865 6.493 1.00 0.00 C ATOM 374 OD1 ASN A 33 -2.500 -7.926 7.427 1.00 0.00 O flip ATOM 375 ND2 ASN A 33 -3.542 -9.640 6.415 1.00 0.00 N flip ATOM 0 H ASN A 33 0.644 -7.248 4.902 1.00 0.00 H new ATOM 0 HA ASN A 33 -0.202 -8.820 7.264 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.575 -8.191 4.733 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -1.454 -9.916 5.014 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -3.567 -10.347 5.680 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -4.308 -9.575 7.086 1.00 0.00 H new ATOM 382 N ARG A 34 0.865 -10.958 6.418 1.00 0.00 N ATOM 383 CA ARG A 34 1.741 -12.077 6.090 1.00 0.00 C ATOM 384 C ARG A 34 0.977 -13.150 5.321 1.00 0.00 C ATOM 385 O ARG A 34 -0.252 -13.134 5.273 1.00 0.00 O ATOM 386 CB ARG A 34 2.340 -12.676 7.363 1.00 0.00 C ATOM 387 CG ARG A 34 3.505 -11.876 7.923 1.00 0.00 C ATOM 388 CD ARG A 34 4.151 -12.585 9.103 1.00 0.00 C ATOM 389 NE ARG A 34 3.184 -12.889 10.154 1.00 0.00 N ATOM 390 CZ ARG A 34 2.729 -11.991 11.026 1.00 0.00 C ATOM 391 NH1 ARG A 34 3.150 -10.734 10.974 1.00 0.00 N ATOM 392 NH2 ARG A 34 1.851 -12.353 11.951 1.00 0.00 N ATOM 0 H ARG A 34 0.243 -11.128 7.208 1.00 0.00 H new ATOM 0 HA ARG A 34 2.549 -11.704 5.460 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.561 -12.747 8.122 1.00 0.00 H new ATOM 0 HB3 ARG A 34 2.675 -13.692 7.154 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.248 -11.717 7.141 1.00 0.00 H new ATOM 0 HG3 ARG A 34 3.155 -10.892 8.235 1.00 0.00 H new ATOM 0 HD2 ARG A 34 4.617 -13.509 8.760 1.00 0.00 H new ATOM 0 HD3 ARG A 34 4.945 -11.960 9.511 1.00 0.00 H new ATOM 0 HE ARG A 34 2.837 -13.845 10.224 1.00 0.00 H new ATOM 0 HH11 ARG A 34 3.825 -10.451 10.264 1.00 0.00 H new ATOM 0 HH12 ARG A 34 2.798 -10.050 11.644 1.00 0.00 H new ATOM 0 HH21 ARG A 34 1.525 -13.318 11.994 1.00 0.00 H new ATOM 0 HH22 ARG A 34 1.502 -11.666 12.619 1.00 0.00 H new ATOM 406 N SER A 35 1.711 -14.081 4.722 1.00 0.00 N ATOM 407 CA SER A 35 1.100 -15.163 3.954 1.00 0.00 C ATOM 408 C SER A 35 0.018 -15.866 4.769 1.00 0.00 C ATOM 409 O SER A 35 0.115 -15.966 5.992 1.00 0.00 O ATOM 410 CB SER A 35 2.163 -16.172 3.520 1.00 0.00 C ATOM 411 OG SER A 35 1.709 -16.957 2.430 1.00 0.00 O ATOM 0 H SER A 35 2.730 -14.109 4.753 1.00 0.00 H new ATOM 0 HA SER A 35 0.638 -14.729 3.068 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.075 -15.645 3.238 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.416 -16.821 4.358 1.00 0.00 H new ATOM 0 HG SER A 35 2.442 -17.088 1.793 1.00 0.00 H new ATOM 417 N LYS A 36 -1.013 -16.348 4.084 1.00 0.00 N ATOM 418 CA LYS A 36 -2.113 -17.038 4.745 1.00 0.00 C ATOM 419 C LYS A 36 -1.726 -18.470 5.115 1.00 0.00 C ATOM 420 O LYS A 36 -2.377 -19.102 5.947 1.00 0.00 O ATOM 421 CB LYS A 36 -3.350 -17.050 3.844 1.00 0.00 C ATOM 422 CG LYS A 36 -3.754 -15.671 3.351 1.00 0.00 C ATOM 423 CD LYS A 36 -4.224 -14.785 4.494 1.00 0.00 C ATOM 424 CE LYS A 36 -3.886 -13.322 4.240 1.00 0.00 C ATOM 425 NZ LYS A 36 -3.497 -12.616 5.492 1.00 0.00 N ATOM 0 H LYS A 36 -1.109 -16.273 3.071 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.342 -16.498 5.663 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.158 -17.692 2.985 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.184 -17.490 4.391 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.908 -15.201 2.849 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.550 -15.766 2.612 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.301 -14.894 4.621 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.758 -15.111 5.424 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.071 -13.258 3.519 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.746 -12.823 3.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.692 -11.986 5.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.301 -12.055 5.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.226 -13.314 6.214 1.00 0.00 H new ATOM 439 N GLU A 37 -0.663 -18.977 4.494 1.00 0.00 N ATOM 440 CA GLU A 37 -0.197 -20.331 4.765 1.00 0.00 C ATOM 441 C GLU A 37 0.987 -20.324 5.725 1.00 0.00 C ATOM 442 O GLU A 37 1.164 -21.252 6.515 1.00 0.00 O ATOM 443 CB GLU A 37 0.194 -21.028 3.460 1.00 0.00 C ATOM 444 CG GLU A 37 -0.956 -21.167 2.476 1.00 0.00 C ATOM 445 CD GLU A 37 -1.652 -22.510 2.579 1.00 0.00 C ATOM 446 OE1 GLU A 37 -1.546 -23.153 3.645 1.00 0.00 O ATOM 447 OE2 GLU A 37 -2.301 -22.919 1.594 1.00 0.00 O ATOM 0 H GLU A 37 -0.111 -18.471 3.802 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.014 -20.879 5.234 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.001 -20.468 2.987 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.586 -22.019 3.690 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.680 -20.372 2.654 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.580 -21.034 1.462 1.00 0.00 H new ATOM 454 N ASN A 38 1.797 -19.273 5.651 1.00 0.00 N ATOM 455 CA ASN A 38 2.966 -19.149 6.515 1.00 0.00 C ATOM 456 C ASN A 38 3.138 -17.712 6.998 1.00 0.00 C ATOM 457 O ASN A 38 2.250 -16.877 6.822 1.00 0.00 O ATOM 458 CB ASN A 38 4.224 -19.610 5.771 1.00 0.00 C ATOM 459 CG ASN A 38 4.617 -18.673 4.644 1.00 0.00 C ATOM 460 OD1 ASN A 38 5.663 -18.027 4.696 1.00 0.00 O ATOM 461 ND2 ASN A 38 3.777 -18.591 3.618 1.00 0.00 N ATOM 0 H ASN A 38 1.666 -18.496 5.003 1.00 0.00 H new ATOM 0 HA ASN A 38 2.814 -19.786 7.387 1.00 0.00 H new ATOM 0 HB2 ASN A 38 5.050 -19.688 6.477 1.00 0.00 H new ATOM 0 HB3 ASN A 38 4.056 -20.608 5.366 1.00 0.00 H new ATOM 0 HD21 ASN A 38 3.989 -17.975 2.833 1.00 0.00 H new ATOM 0 HD22 ASN A 38 2.920 -19.144 3.615 1.00 0.00 H new ATOM 468 N HIS A 39 4.284 -17.427 7.607 1.00 0.00 N ATOM 469 CA HIS A 39 4.571 -16.090 8.112 1.00 0.00 C ATOM 470 C HIS A 39 5.386 -15.290 7.102 1.00 0.00 C ATOM 471 O HIS A 39 6.295 -14.547 7.470 1.00 0.00 O ATOM 472 CB HIS A 39 5.324 -16.175 9.442 1.00 0.00 C ATOM 473 CG HIS A 39 6.602 -16.948 9.358 1.00 0.00 C ATOM 474 ND1 HIS A 39 7.343 -17.324 8.287 1.00 0.00 N flip ATOM 475 CD2 HIS A 39 7.264 -17.432 10.467 1.00 0.00 C flip ATOM 476 CE1 HIS A 39 8.425 -18.020 8.765 1.00 0.00 C flip ATOM 477 NE2 HIS A 39 8.356 -18.069 10.083 1.00 0.00 N flip ATOM 0 H HIS A 39 5.030 -18.105 7.763 1.00 0.00 H new ATOM 0 HA HIS A 39 3.622 -15.578 8.272 1.00 0.00 H new ATOM 0 HB2 HIS A 39 5.542 -15.166 9.792 1.00 0.00 H new ATOM 0 HB3 HIS A 39 4.677 -16.638 10.187 1.00 0.00 H new ATOM 0 HD2 HIS A 39 6.940 -17.309 11.490 1.00 0.00 H new ATOM 0 HE1 HIS A 39 9.206 -18.457 8.161 1.00 0.00 H new ATOM 0 HE2 HIS A 39 9.031 -18.522 10.700 1.00 0.00 H new ATOM 486 N ALA A 40 5.053 -15.449 5.824 1.00 0.00 N ATOM 487 CA ALA A 40 5.753 -14.741 4.759 1.00 0.00 C ATOM 488 C ALA A 40 5.146 -13.363 4.525 1.00 0.00 C ATOM 489 O ALA A 40 4.045 -13.242 3.988 1.00 0.00 O ATOM 490 CB ALA A 40 5.721 -15.561 3.477 1.00 0.00 C ATOM 0 H ALA A 40 4.304 -16.061 5.502 1.00 0.00 H new ATOM 0 HA ALA A 40 6.790 -14.603 5.065 1.00 0.00 H new ATOM 0 HB1 ALA A 40 6.247 -15.023 2.688 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.207 -16.522 3.647 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.686 -15.726 3.176 1.00 0.00 H new ATOM 496 N ASP A 41 5.872 -12.326 4.930 1.00 0.00 N ATOM 497 CA ASP A 41 5.403 -10.953 4.764 1.00 0.00 C ATOM 498 C ASP A 41 5.102 -10.652 3.299 1.00 0.00 C ATOM 499 O ASP A 41 6.004 -10.619 2.463 1.00 0.00 O ATOM 500 CB ASP A 41 6.447 -9.969 5.294 1.00 0.00 C ATOM 501 CG ASP A 41 6.515 -9.957 6.808 1.00 0.00 C ATOM 502 OD1 ASP A 41 6.382 -11.039 7.417 1.00 0.00 O ATOM 503 OD2 ASP A 41 6.700 -8.865 7.386 1.00 0.00 O ATOM 0 H ASP A 41 6.786 -12.409 5.375 1.00 0.00 H new ATOM 0 HA ASP A 41 4.482 -10.839 5.335 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.426 -10.230 4.891 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.212 -8.967 4.936 1.00 0.00 H new ATOM 508 N LEU A 42 3.826 -10.435 2.997 1.00 0.00 N ATOM 509 CA LEU A 42 3.403 -10.137 1.633 1.00 0.00 C ATOM 510 C LEU A 42 3.714 -8.690 1.270 1.00 0.00 C ATOM 511 O LEU A 42 4.584 -8.418 0.444 1.00 0.00 O ATOM 512 CB LEU A 42 1.906 -10.409 1.471 1.00 0.00 C ATOM 513 CG LEU A 42 1.477 -11.852 1.741 1.00 0.00 C ATOM 514 CD1 LEU A 42 -0.039 -11.959 1.782 1.00 0.00 C ATOM 515 CD2 LEU A 42 2.052 -12.782 0.683 1.00 0.00 C ATOM 0 H LEU A 42 3.067 -10.460 3.678 1.00 0.00 H new ATOM 0 HA LEU A 42 3.958 -10.787 0.956 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.358 -9.751 2.145 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.612 -10.142 0.456 1.00 0.00 H new ATOM 0 HG LEU A 42 1.867 -12.153 2.713 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.326 -12.993 1.975 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.427 -11.320 2.575 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.452 -11.641 0.825 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.738 -13.805 0.889 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.690 -12.482 -0.300 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.140 -12.726 0.702 1.00 0.00 H new ATOM 527 N GLY A 43 2.994 -7.767 1.895 1.00 0.00 N ATOM 528 CA GLY A 43 3.204 -6.356 1.629 1.00 0.00 C ATOM 529 C GLY A 43 2.317 -5.466 2.476 1.00 0.00 C ATOM 530 O GLY A 43 1.668 -5.935 3.411 1.00 0.00 O ATOM 0 H GLY A 43 2.268 -7.970 2.582 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.248 -6.106 1.816 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.013 -6.156 0.575 1.00 0.00 H new ATOM 534 N ILE A 44 2.291 -4.177 2.148 1.00 0.00 N ATOM 535 CA ILE A 44 1.476 -3.215 2.884 1.00 0.00 C ATOM 536 C ILE A 44 0.325 -2.702 2.023 1.00 0.00 C ATOM 537 O ILE A 44 0.496 -2.431 0.835 1.00 0.00 O ATOM 538 CB ILE A 44 2.306 -2.004 3.387 1.00 0.00 C ATOM 539 CG1 ILE A 44 3.733 -2.031 2.826 1.00 0.00 C ATOM 540 CG2 ILE A 44 2.337 -1.978 4.908 1.00 0.00 C ATOM 541 CD1 ILE A 44 4.598 -3.134 3.407 1.00 0.00 C ATOM 0 H ILE A 44 2.825 -3.775 1.378 1.00 0.00 H new ATOM 0 HA ILE A 44 1.082 -3.747 3.750 1.00 0.00 H new ATOM 0 HB ILE A 44 1.822 -1.096 3.027 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.686 -2.151 1.744 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.208 -1.069 3.020 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.923 -1.123 5.245 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.320 -1.895 5.291 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.790 -2.897 5.278 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.592 -3.089 2.962 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.677 -3.004 4.486 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.147 -4.102 3.190 1.00 0.00 H new ATOM 553 N PHE A 45 -0.849 -2.575 2.634 1.00 0.00 N ATOM 554 CA PHE A 45 -2.037 -2.095 1.930 1.00 0.00 C ATOM 555 C PHE A 45 -2.579 -0.836 2.596 1.00 0.00 C ATOM 556 O PHE A 45 -2.593 -0.728 3.822 1.00 0.00 O ATOM 557 CB PHE A 45 -3.121 -3.178 1.907 1.00 0.00 C ATOM 558 CG PHE A 45 -2.588 -4.580 2.017 1.00 0.00 C ATOM 559 CD1 PHE A 45 -1.514 -4.988 1.245 1.00 0.00 C ATOM 560 CD2 PHE A 45 -3.161 -5.486 2.896 1.00 0.00 C ATOM 561 CE1 PHE A 45 -1.019 -6.276 1.345 1.00 0.00 C ATOM 562 CE2 PHE A 45 -2.671 -6.775 3.000 1.00 0.00 C ATOM 563 CZ PHE A 45 -1.598 -7.169 2.225 1.00 0.00 C ATOM 0 H PHE A 45 -1.005 -2.798 3.617 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.753 -1.858 0.905 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.816 -2.999 2.727 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.690 -3.088 0.982 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.057 -4.293 0.556 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.999 -5.182 3.506 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.181 -6.583 0.736 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.127 -7.473 3.687 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.212 -8.174 2.307 1.00 0.00 H new ATOM 573 N VAL A 46 -3.027 0.115 1.781 1.00 0.00 N ATOM 574 CA VAL A 46 -3.572 1.364 2.299 1.00 0.00 C ATOM 575 C VAL A 46 -4.684 1.099 3.308 1.00 0.00 C ATOM 576 O VAL A 46 -5.763 0.624 2.951 1.00 0.00 O ATOM 577 CB VAL A 46 -4.116 2.252 1.164 1.00 0.00 C ATOM 578 CG1 VAL A 46 -4.582 3.594 1.707 1.00 0.00 C ATOM 579 CG2 VAL A 46 -3.063 2.444 0.082 1.00 0.00 C ATOM 0 H VAL A 46 -3.023 0.044 0.763 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.755 1.888 2.795 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.975 1.750 0.719 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.962 4.205 0.889 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.373 3.435 2.439 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.745 4.105 2.183 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.467 3.074 -0.711 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.182 2.921 0.512 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.785 1.474 -0.331 1.00 0.00 H new ATOM 589 N LYS A 47 -4.410 1.404 4.571 1.00 0.00 N ATOM 590 CA LYS A 47 -5.378 1.197 5.641 1.00 0.00 C ATOM 591 C LYS A 47 -6.352 2.366 5.730 1.00 0.00 C ATOM 592 O LYS A 47 -7.544 2.175 5.970 1.00 0.00 O ATOM 593 CB LYS A 47 -4.652 1.015 6.977 1.00 0.00 C ATOM 594 CG LYS A 47 -5.586 0.870 8.169 1.00 0.00 C ATOM 595 CD LYS A 47 -6.162 -0.536 8.259 1.00 0.00 C ATOM 596 CE LYS A 47 -7.589 -0.588 7.739 1.00 0.00 C ATOM 597 NZ LYS A 47 -7.911 -1.909 7.133 1.00 0.00 N ATOM 0 H LYS A 47 -3.521 1.797 4.880 1.00 0.00 H new ATOM 0 HA LYS A 47 -5.948 0.295 5.416 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.016 0.132 6.917 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.996 1.870 7.143 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.045 1.102 9.087 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.398 1.592 8.086 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.539 -1.223 7.685 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.139 -0.874 9.295 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.281 -0.385 8.556 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.734 0.197 6.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.893 -1.904 6.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.268 -2.092 6.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.798 -2.656 7.848 1.00 0.00 H new ATOM 611 N SER A 48 -5.839 3.576 5.537 1.00 0.00 N ATOM 612 CA SER A 48 -6.673 4.770 5.601 1.00 0.00 C ATOM 613 C SER A 48 -5.991 5.956 4.928 1.00 0.00 C ATOM 614 O SER A 48 -4.809 5.896 4.589 1.00 0.00 O ATOM 615 CB SER A 48 -6.995 5.114 7.056 1.00 0.00 C ATOM 616 OG SER A 48 -8.150 4.423 7.501 1.00 0.00 O ATOM 0 H SER A 48 -4.855 3.756 5.336 1.00 0.00 H new ATOM 0 HA SER A 48 -7.600 4.559 5.067 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.147 4.856 7.690 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.151 6.188 7.153 1.00 0.00 H new ATOM 0 HG SER A 48 -8.183 3.538 7.082 1.00 0.00 H new ATOM 622 N ILE A 49 -6.746 7.032 4.738 1.00 0.00 N ATOM 623 CA ILE A 49 -6.220 8.234 4.104 1.00 0.00 C ATOM 624 C ILE A 49 -6.685 9.484 4.840 1.00 0.00 C ATOM 625 O ILE A 49 -7.735 9.489 5.481 1.00 0.00 O ATOM 626 CB ILE A 49 -6.653 8.326 2.626 1.00 0.00 C ATOM 627 CG1 ILE A 49 -6.523 6.958 1.950 1.00 0.00 C ATOM 628 CG2 ILE A 49 -5.839 9.376 1.883 1.00 0.00 C ATOM 629 CD1 ILE A 49 -6.918 6.961 0.490 1.00 0.00 C ATOM 0 H ILE A 49 -7.726 7.096 5.015 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.133 8.170 4.150 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.699 8.632 2.593 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.492 6.616 2.037 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.144 6.238 2.484 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.164 9.420 0.844 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.987 10.349 2.351 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.782 9.111 1.921 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -6.800 5.958 0.079 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -7.958 7.272 0.395 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.281 7.655 -0.058 1.00 0.00 H new ATOM 641 N ILE A 50 -5.895 10.544 4.735 1.00 0.00 N ATOM 642 CA ILE A 50 -6.215 11.809 5.382 1.00 0.00 C ATOM 643 C ILE A 50 -6.723 12.810 4.351 1.00 0.00 C ATOM 644 O ILE A 50 -5.939 13.381 3.594 1.00 0.00 O ATOM 645 CB ILE A 50 -4.988 12.412 6.108 1.00 0.00 C ATOM 646 CG1 ILE A 50 -4.554 11.540 7.294 1.00 0.00 C ATOM 647 CG2 ILE A 50 -5.305 13.822 6.590 1.00 0.00 C ATOM 648 CD1 ILE A 50 -4.028 10.176 6.916 1.00 0.00 C ATOM 0 H ILE A 50 -5.024 10.552 4.205 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.988 11.607 6.124 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.164 12.449 5.396 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.783 12.069 7.853 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.404 11.413 7.964 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.435 14.237 7.099 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.559 14.450 5.736 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.148 13.790 7.280 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.746 9.632 7.818 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.802 9.622 6.385 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.156 10.288 6.272 1.00 0.00 H new ATOM 660 N ASN A 51 -8.034 13.018 4.332 1.00 0.00 N ATOM 661 CA ASN A 51 -8.652 13.952 3.392 1.00 0.00 C ATOM 662 C ASN A 51 -8.235 15.387 3.702 1.00 0.00 C ATOM 663 O ASN A 51 -9.037 16.190 4.179 1.00 0.00 O ATOM 664 CB ASN A 51 -10.181 13.843 3.436 1.00 0.00 C ATOM 665 CG ASN A 51 -10.666 12.449 3.793 1.00 0.00 C ATOM 666 OD1 ASN A 51 -10.820 12.192 5.087 1.00 0.00 O flip ATOM 667 ND2 ASN A 51 -10.899 11.616 2.917 1.00 0.00 N flip ATOM 0 H ASN A 51 -8.693 12.553 4.957 1.00 0.00 H new ATOM 0 HA ASN A 51 -8.308 13.689 2.392 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.570 14.555 4.164 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.588 14.126 2.465 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -10.766 11.858 1.935 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -11.225 10.684 3.173 1.00 0.00 H new ATOM 674 N GLY A 52 -6.974 15.701 3.431 1.00 0.00 N ATOM 675 CA GLY A 52 -6.472 17.037 3.690 1.00 0.00 C ATOM 676 C GLY A 52 -5.103 17.273 3.081 1.00 0.00 C ATOM 677 O GLY A 52 -4.774 18.397 2.699 1.00 0.00 O ATOM 0 H GLY A 52 -6.290 15.055 3.037 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.174 17.769 3.291 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.420 17.199 4.767 1.00 0.00 H new ATOM 681 N GLY A 53 -4.300 16.216 2.992 1.00 0.00 N ATOM 682 CA GLY A 53 -2.969 16.348 2.427 1.00 0.00 C ATOM 683 C GLY A 53 -2.835 15.682 1.074 1.00 0.00 C ATOM 684 O GLY A 53 -3.824 15.273 0.467 1.00 0.00 O ATOM 0 H GLY A 53 -4.546 15.275 3.299 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.723 17.406 2.332 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.243 15.913 3.114 1.00 0.00 H new ATOM 688 N ALA A 54 -1.599 15.588 0.602 1.00 0.00 N ATOM 689 CA ALA A 54 -1.291 14.987 -0.691 1.00 0.00 C ATOM 690 C ALA A 54 -2.106 13.728 -0.973 1.00 0.00 C ATOM 691 O ALA A 54 -2.753 13.624 -2.012 1.00 0.00 O ATOM 692 CB ALA A 54 0.192 14.672 -0.758 1.00 0.00 C ATOM 0 H ALA A 54 -0.779 15.927 1.105 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.562 15.712 -1.459 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.425 14.223 -1.723 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.765 15.591 -0.638 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.452 13.975 0.039 1.00 0.00 H new ATOM 698 N ALA A 55 -2.060 12.771 -0.058 1.00 0.00 N ATOM 699 CA ALA A 55 -2.788 11.517 -0.233 1.00 0.00 C ATOM 700 C ALA A 55 -4.254 11.769 -0.574 1.00 0.00 C ATOM 701 O ALA A 55 -4.881 10.983 -1.284 1.00 0.00 O ATOM 702 CB ALA A 55 -2.672 10.658 1.014 1.00 0.00 C ATOM 0 H ALA A 55 -1.529 12.835 0.811 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.338 10.983 -1.070 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.220 9.727 0.867 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.622 10.435 1.206 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -3.090 11.195 1.866 1.00 0.00 H new ATOM 708 N SER A 56 -4.789 12.873 -0.067 1.00 0.00 N ATOM 709 CA SER A 56 -6.177 13.234 -0.322 1.00 0.00 C ATOM 710 C SER A 56 -6.320 13.871 -1.697 1.00 0.00 C ATOM 711 O SER A 56 -7.048 13.373 -2.554 1.00 0.00 O ATOM 712 CB SER A 56 -6.671 14.202 0.746 1.00 0.00 C ATOM 713 OG SER A 56 -7.959 14.701 0.429 1.00 0.00 O ATOM 0 H SER A 56 -4.283 13.533 0.523 1.00 0.00 H new ATOM 0 HA SER A 56 -6.779 12.326 -0.291 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.701 13.698 1.712 1.00 0.00 H new ATOM 0 HB3 SER A 56 -5.970 15.031 0.841 1.00 0.00 H new ATOM 0 HG SER A 56 -8.121 15.529 0.928 1.00 0.00 H new ATOM 719 N LYS A 57 -5.617 14.980 -1.893 1.00 0.00 N ATOM 720 CA LYS A 57 -5.658 15.698 -3.163 1.00 0.00 C ATOM 721 C LYS A 57 -5.209 14.803 -4.315 1.00 0.00 C ATOM 722 O LYS A 57 -5.577 15.030 -5.469 1.00 0.00 O ATOM 723 CB LYS A 57 -4.795 16.963 -3.114 1.00 0.00 C ATOM 724 CG LYS A 57 -3.503 16.813 -2.329 1.00 0.00 C ATOM 725 CD LYS A 57 -3.367 17.897 -1.272 1.00 0.00 C ATOM 726 CE LYS A 57 -1.927 18.361 -1.131 1.00 0.00 C ATOM 727 NZ LYS A 57 -1.837 19.824 -0.863 1.00 0.00 N ATOM 0 H LYS A 57 -5.011 15.402 -1.189 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.693 15.993 -3.335 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.553 17.263 -4.134 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -5.381 17.771 -2.675 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.477 15.833 -1.853 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.654 16.859 -3.011 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.999 18.745 -1.536 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.724 17.519 -0.314 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.447 17.813 -0.320 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.379 18.125 -2.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.224 20.270 -1.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.787 20.245 -0.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.437 19.979 0.084 1.00 0.00 H new ATOM 741 N ASP A 58 -4.414 13.785 -3.998 1.00 0.00 N ATOM 742 CA ASP A 58 -3.919 12.857 -5.011 1.00 0.00 C ATOM 743 C ASP A 58 -5.074 12.255 -5.806 1.00 0.00 C ATOM 744 O ASP A 58 -5.061 12.255 -7.037 1.00 0.00 O ATOM 745 CB ASP A 58 -3.099 11.743 -4.356 1.00 0.00 C ATOM 746 CG ASP A 58 -1.635 11.794 -4.750 1.00 0.00 C ATOM 747 OD1 ASP A 58 -1.205 12.823 -5.311 1.00 0.00 O ATOM 748 OD2 ASP A 58 -0.918 10.803 -4.497 1.00 0.00 O ATOM 0 H ASP A 58 -4.099 13.582 -3.049 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.280 13.413 -5.697 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.184 11.823 -3.272 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.515 10.776 -4.638 1.00 0.00 H new ATOM 753 N GLY A 59 -6.070 11.744 -5.091 1.00 0.00 N ATOM 754 CA GLY A 59 -7.220 11.146 -5.743 1.00 0.00 C ATOM 755 C GLY A 59 -6.866 9.896 -6.526 1.00 0.00 C ATOM 756 O GLY A 59 -7.646 9.439 -7.362 1.00 0.00 O ATOM 0 H GLY A 59 -6.102 11.733 -4.072 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.970 10.899 -4.992 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.671 11.875 -6.416 1.00 0.00 H new ATOM 760 N ARG A 60 -5.690 9.337 -6.254 1.00 0.00 N ATOM 761 CA ARG A 60 -5.241 8.129 -6.940 1.00 0.00 C ATOM 762 C ARG A 60 -5.022 6.984 -5.954 1.00 0.00 C ATOM 763 O ARG A 60 -4.860 5.831 -6.355 1.00 0.00 O ATOM 764 CB ARG A 60 -3.949 8.406 -7.711 1.00 0.00 C ATOM 765 CG ARG A 60 -4.050 9.585 -8.664 1.00 0.00 C ATOM 766 CD ARG A 60 -2.679 10.151 -8.997 1.00 0.00 C ATOM 767 NE ARG A 60 -2.394 11.371 -8.246 1.00 0.00 N ATOM 768 CZ ARG A 60 -1.451 12.248 -8.586 1.00 0.00 C ATOM 769 NH1 ARG A 60 -0.700 12.042 -9.660 1.00 0.00 N ATOM 770 NH2 ARG A 60 -1.260 13.334 -7.850 1.00 0.00 N ATOM 0 H ARG A 60 -5.032 9.700 -5.565 1.00 0.00 H new ATOM 0 HA ARG A 60 -6.021 7.833 -7.641 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.144 8.592 -7.000 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -3.675 7.515 -8.276 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.548 9.271 -9.581 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -4.668 10.364 -8.217 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -1.916 9.404 -8.779 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.623 10.361 -10.065 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.950 11.563 -7.412 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.843 11.209 -10.230 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.021 12.717 -9.916 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.835 13.498 -7.024 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.538 14.006 -8.110 1.00 0.00 H new ATOM 784 N LEU A 61 -5.012 7.305 -4.664 1.00 0.00 N ATOM 785 CA LEU A 61 -4.809 6.304 -3.626 1.00 0.00 C ATOM 786 C LEU A 61 -6.080 5.495 -3.393 1.00 0.00 C ATOM 787 O LEU A 61 -7.189 6.010 -3.536 1.00 0.00 O ATOM 788 CB LEU A 61 -4.373 6.975 -2.322 1.00 0.00 C ATOM 789 CG LEU A 61 -2.973 7.592 -2.341 1.00 0.00 C ATOM 790 CD1 LEU A 61 -1.914 6.510 -2.481 1.00 0.00 C ATOM 791 CD2 LEU A 61 -2.853 8.608 -3.465 1.00 0.00 C ATOM 0 H LEU A 61 -5.143 8.254 -4.313 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.024 5.625 -3.959 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.093 7.756 -2.076 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.416 6.237 -1.521 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.812 8.108 -1.394 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.925 6.968 -2.493 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.985 5.821 -1.640 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.072 5.964 -3.411 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.851 9.036 -3.463 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.036 8.117 -4.421 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.587 9.401 -3.319 1.00 0.00 H new ATOM 803 N ARG A 62 -5.911 4.230 -3.029 1.00 0.00 N ATOM 804 CA ARG A 62 -7.045 3.350 -2.772 1.00 0.00 C ATOM 805 C ARG A 62 -6.841 2.575 -1.476 1.00 0.00 C ATOM 806 O ARG A 62 -5.832 1.891 -1.303 1.00 0.00 O ATOM 807 CB ARG A 62 -7.239 2.379 -3.938 1.00 0.00 C ATOM 808 CG ARG A 62 -7.312 3.063 -5.292 1.00 0.00 C ATOM 809 CD ARG A 62 -8.736 3.466 -5.638 1.00 0.00 C ATOM 810 NE ARG A 62 -9.038 4.832 -5.216 1.00 0.00 N ATOM 811 CZ ARG A 62 -8.659 5.917 -5.889 1.00 0.00 C ATOM 812 NH1 ARG A 62 -7.966 5.798 -7.015 1.00 0.00 N ATOM 813 NH2 ARG A 62 -8.976 7.121 -5.437 1.00 0.00 N ATOM 0 H ARG A 62 -4.999 3.790 -2.905 1.00 0.00 H new ATOM 0 HA ARG A 62 -7.939 3.965 -2.672 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.416 1.664 -3.945 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -8.155 1.810 -3.778 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.674 3.946 -5.289 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -6.926 2.393 -6.060 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -8.886 3.378 -6.714 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -9.433 2.777 -5.161 1.00 0.00 H new ATOM 0 HE ARG A 62 -9.570 4.962 -4.356 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -7.722 4.873 -7.368 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -7.678 6.632 -7.527 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -9.510 7.217 -4.574 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -8.686 7.952 -5.952 1.00 0.00 H new ATOM 827 N VAL A 63 -7.802 2.692 -0.565 1.00 0.00 N ATOM 828 CA VAL A 63 -7.728 2.006 0.720 1.00 0.00 C ATOM 829 C VAL A 63 -7.835 0.492 0.549 1.00 0.00 C ATOM 830 O VAL A 63 -8.841 -0.113 0.919 1.00 0.00 O ATOM 831 CB VAL A 63 -8.839 2.485 1.674 1.00 0.00 C ATOM 832 CG1 VAL A 63 -8.633 1.908 3.067 1.00 0.00 C ATOM 833 CG2 VAL A 63 -8.887 4.004 1.719 1.00 0.00 C ATOM 0 H VAL A 63 -8.642 3.256 -0.693 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.757 2.248 1.151 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.796 2.126 1.296 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.427 2.257 3.727 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.656 0.819 3.017 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.668 2.233 3.457 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -9.678 4.323 2.398 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.930 4.388 2.071 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.088 4.391 0.720 1.00 0.00 H new ATOM 843 N ASN A 64 -6.792 -0.116 -0.014 1.00 0.00 N ATOM 844 CA ASN A 64 -6.768 -1.565 -0.232 1.00 0.00 C ATOM 845 C ASN A 64 -5.597 -1.976 -1.126 1.00 0.00 C ATOM 846 O ASN A 64 -5.126 -3.112 -1.059 1.00 0.00 O ATOM 847 CB ASN A 64 -8.080 -2.042 -0.860 1.00 0.00 C ATOM 848 CG ASN A 64 -8.574 -1.114 -1.952 1.00 0.00 C ATOM 849 OD1 ASN A 64 -8.101 -1.165 -3.086 1.00 0.00 O ATOM 850 ND2 ASN A 64 -9.530 -0.258 -1.611 1.00 0.00 N ATOM 0 H ASN A 64 -5.952 0.370 -0.328 1.00 0.00 H new ATOM 0 HA ASN A 64 -6.644 -2.036 0.743 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.939 -3.041 -1.273 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -8.842 -2.123 -0.084 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -9.902 0.393 -2.302 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.892 -0.252 -0.658 1.00 0.00 H new ATOM 857 N ASP A 65 -5.137 -1.053 -1.965 1.00 0.00 N ATOM 858 CA ASP A 65 -4.029 -1.328 -2.873 1.00 0.00 C ATOM 859 C ASP A 65 -2.762 -1.674 -2.099 1.00 0.00 C ATOM 860 O ASP A 65 -2.488 -1.095 -1.049 1.00 0.00 O ATOM 861 CB ASP A 65 -3.775 -0.122 -3.780 1.00 0.00 C ATOM 862 CG ASP A 65 -4.558 -0.197 -5.075 1.00 0.00 C ATOM 863 OD1 ASP A 65 -5.690 -0.725 -5.054 1.00 0.00 O ATOM 864 OD2 ASP A 65 -4.042 0.274 -6.110 1.00 0.00 O ATOM 0 H ASP A 65 -5.515 -0.108 -2.035 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.301 -2.186 -3.488 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -4.043 0.791 -3.249 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.710 -0.058 -4.006 1.00 0.00 H new ATOM 869 N GLN A 66 -1.993 -2.620 -2.628 1.00 0.00 N ATOM 870 CA GLN A 66 -0.753 -3.039 -1.986 1.00 0.00 C ATOM 871 C GLN A 66 0.427 -2.221 -2.504 1.00 0.00 C ATOM 872 O GLN A 66 0.547 -1.982 -3.705 1.00 0.00 O ATOM 873 CB GLN A 66 -0.511 -4.535 -2.216 1.00 0.00 C ATOM 874 CG GLN A 66 -0.082 -4.882 -3.633 1.00 0.00 C ATOM 875 CD GLN A 66 1.339 -5.412 -3.703 1.00 0.00 C ATOM 876 OE1 GLN A 66 2.224 -4.855 -2.881 1.00 0.00 O flip ATOM 877 NE2 GLN A 66 1.638 -6.314 -4.485 1.00 0.00 N flip ATOM 0 H GLN A 66 -2.206 -3.110 -3.497 1.00 0.00 H new ATOM 0 HA GLN A 66 -0.846 -2.863 -0.914 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.255 -4.880 -1.521 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -1.425 -5.081 -1.980 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -0.764 -5.628 -4.042 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.166 -3.995 -4.261 1.00 0.00 H new ATOM 0 HE21 GLN A 66 0.928 -6.713 -5.098 1.00 0.00 H new ATOM 0 HE22 GLN A 66 2.596 -6.662 -4.520 1.00 0.00 H new ATOM 886 N LEU A 67 1.292 -1.794 -1.591 1.00 0.00 N ATOM 887 CA LEU A 67 2.460 -1.001 -1.956 1.00 0.00 C ATOM 888 C LEU A 67 3.581 -1.893 -2.479 1.00 0.00 C ATOM 889 O LEU A 67 3.881 -2.934 -1.897 1.00 0.00 O ATOM 890 CB LEU A 67 2.951 -0.194 -0.754 1.00 0.00 C ATOM 891 CG LEU A 67 1.960 0.840 -0.220 1.00 0.00 C ATOM 892 CD1 LEU A 67 2.223 1.121 1.252 1.00 0.00 C ATOM 893 CD2 LEU A 67 2.042 2.123 -1.033 1.00 0.00 C ATOM 0 H LEU A 67 1.206 -1.984 -0.592 1.00 0.00 H new ATOM 0 HA LEU A 67 2.168 -0.313 -2.750 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.200 -0.885 0.051 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.872 0.318 -1.031 1.00 0.00 H new ATOM 0 HG LEU A 67 0.953 0.435 -0.316 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.508 1.859 1.615 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.114 0.199 1.823 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.235 1.506 1.374 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.330 2.849 -0.640 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.050 2.531 -0.967 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.804 1.909 -2.075 1.00 0.00 H new ATOM 905 N ILE A 68 4.195 -1.476 -3.582 1.00 0.00 N ATOM 906 CA ILE A 68 5.282 -2.239 -4.182 1.00 0.00 C ATOM 907 C ILE A 68 6.598 -1.469 -4.128 1.00 0.00 C ATOM 908 O ILE A 68 7.671 -2.066 -4.027 1.00 0.00 O ATOM 909 CB ILE A 68 4.976 -2.602 -5.648 1.00 0.00 C ATOM 910 CG1 ILE A 68 3.597 -3.256 -5.758 1.00 0.00 C ATOM 911 CG2 ILE A 68 6.052 -3.524 -6.202 1.00 0.00 C ATOM 912 CD1 ILE A 68 3.257 -3.722 -7.157 1.00 0.00 C ATOM 0 H ILE A 68 3.958 -0.616 -4.077 1.00 0.00 H new ATOM 0 HA ILE A 68 5.377 -3.155 -3.599 1.00 0.00 H new ATOM 0 HB ILE A 68 4.971 -1.686 -6.239 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.553 -4.108 -5.080 1.00 0.00 H new ATOM 0 HG13 ILE A 68 2.840 -2.545 -5.427 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.821 -3.771 -7.238 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.019 -3.024 -6.155 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.087 -4.439 -5.610 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.266 -4.175 -7.159 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.268 -2.870 -7.837 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.992 -4.457 -7.484 1.00 0.00 H new ATOM 924 N ALA A 69 6.516 -0.144 -4.201 1.00 0.00 N ATOM 925 CA ALA A 69 7.711 0.690 -4.166 1.00 0.00 C ATOM 926 C ALA A 69 7.383 2.130 -3.781 1.00 0.00 C ATOM 927 O ALA A 69 6.220 2.533 -3.771 1.00 0.00 O ATOM 928 CB ALA A 69 8.418 0.654 -5.513 1.00 0.00 C ATOM 0 H ALA A 69 5.640 0.372 -4.284 1.00 0.00 H new ATOM 0 HA ALA A 69 8.374 0.285 -3.402 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.309 1.281 -5.473 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.706 -0.371 -5.745 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.746 1.026 -6.286 1.00 0.00 H new ATOM 934 N VAL A 70 8.422 2.895 -3.468 1.00 0.00 N ATOM 935 CA VAL A 70 8.263 4.294 -3.082 1.00 0.00 C ATOM 936 C VAL A 70 9.517 5.095 -3.421 1.00 0.00 C ATOM 937 O VAL A 70 10.580 4.877 -2.839 1.00 0.00 O ATOM 938 CB VAL A 70 7.968 4.428 -1.576 1.00 0.00 C ATOM 939 CG1 VAL A 70 9.099 3.829 -0.753 1.00 0.00 C ATOM 940 CG2 VAL A 70 7.734 5.885 -1.199 1.00 0.00 C ATOM 0 H VAL A 70 9.389 2.569 -3.474 1.00 0.00 H new ATOM 0 HA VAL A 70 7.417 4.690 -3.644 1.00 0.00 H new ATOM 0 HB VAL A 70 7.056 3.873 -1.355 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.872 3.933 0.308 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.208 2.773 -0.999 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.029 4.351 -0.978 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.528 5.956 -0.131 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.623 6.470 -1.436 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.884 6.274 -1.759 1.00 0.00 H new ATOM 950 N ASN A 71 9.390 6.018 -4.370 1.00 0.00 N ATOM 951 CA ASN A 71 10.519 6.846 -4.788 1.00 0.00 C ATOM 952 C ASN A 71 11.695 5.979 -5.220 1.00 0.00 C ATOM 953 O ASN A 71 12.854 6.378 -5.095 1.00 0.00 O ATOM 954 CB ASN A 71 10.954 7.772 -3.651 1.00 0.00 C ATOM 955 CG ASN A 71 9.827 8.659 -3.159 1.00 0.00 C ATOM 956 OD1 ASN A 71 9.266 9.448 -3.919 1.00 0.00 O ATOM 957 ND2 ASN A 71 9.492 8.532 -1.882 1.00 0.00 N ATOM 0 H ASN A 71 8.519 6.212 -4.864 1.00 0.00 H new ATOM 0 HA ASN A 71 10.196 7.449 -5.637 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.328 7.172 -2.821 1.00 0.00 H new ATOM 0 HB3 ASN A 71 11.781 8.396 -3.991 1.00 0.00 H new ATOM 0 HD21 ASN A 71 8.741 9.102 -1.493 1.00 0.00 H new ATOM 0 HD22 ASN A 71 9.985 7.864 -1.289 1.00 0.00 H new ATOM 964 N GLY A 72 11.393 4.786 -5.720 1.00 0.00 N ATOM 965 CA GLY A 72 12.437 3.878 -6.153 1.00 0.00 C ATOM 966 C GLY A 72 12.718 2.794 -5.132 1.00 0.00 C ATOM 967 O GLY A 72 13.289 1.754 -5.462 1.00 0.00 O ATOM 0 H GLY A 72 10.443 4.432 -5.833 1.00 0.00 H new ATOM 0 HA2 GLY A 72 12.146 3.418 -7.097 1.00 0.00 H new ATOM 0 HA3 GLY A 72 13.351 4.442 -6.341 1.00 0.00 H new ATOM 971 N GLU A 73 12.314 3.034 -3.885 1.00 0.00 N ATOM 972 CA GLU A 73 12.524 2.066 -2.817 1.00 0.00 C ATOM 973 C GLU A 73 11.586 0.875 -2.977 1.00 0.00 C ATOM 974 O GLU A 73 10.450 0.894 -2.503 1.00 0.00 O ATOM 975 CB GLU A 73 12.311 2.727 -1.451 1.00 0.00 C ATOM 976 CG GLU A 73 13.544 2.696 -0.563 1.00 0.00 C ATOM 977 CD GLU A 73 13.947 1.290 -0.171 1.00 0.00 C ATOM 978 OE1 GLU A 73 14.067 0.433 -1.071 1.00 0.00 O ATOM 979 OE2 GLU A 73 14.141 1.044 1.039 1.00 0.00 O ATOM 0 H GLU A 73 11.841 3.889 -3.593 1.00 0.00 H new ATOM 0 HA GLU A 73 13.551 1.706 -2.878 1.00 0.00 H new ATOM 0 HB2 GLU A 73 12.007 3.763 -1.601 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.491 2.225 -0.938 1.00 0.00 H new ATOM 0 HG2 GLU A 73 14.373 3.176 -1.083 1.00 0.00 H new ATOM 0 HG3 GLU A 73 13.353 3.279 0.338 1.00 0.00 H new ATOM 986 N SER A 74 12.073 -0.157 -3.654 1.00 0.00 N ATOM 987 CA SER A 74 11.287 -1.363 -3.889 1.00 0.00 C ATOM 988 C SER A 74 10.884 -2.020 -2.574 1.00 0.00 C ATOM 989 O SER A 74 11.730 -2.518 -1.831 1.00 0.00 O ATOM 990 CB SER A 74 12.078 -2.353 -4.746 1.00 0.00 C ATOM 991 OG SER A 74 11.498 -3.645 -4.701 1.00 0.00 O ATOM 0 H SER A 74 13.012 -0.184 -4.052 1.00 0.00 H new ATOM 0 HA SER A 74 10.380 -1.075 -4.420 1.00 0.00 H new ATOM 0 HB2 SER A 74 12.110 -2.001 -5.777 1.00 0.00 H new ATOM 0 HB3 SER A 74 13.108 -2.401 -4.394 1.00 0.00 H new ATOM 0 HG SER A 74 12.022 -4.258 -5.258 1.00 0.00 H new ATOM 997 N LEU A 75 9.585 -2.018 -2.295 1.00 0.00 N ATOM 998 CA LEU A 75 9.060 -2.615 -1.072 1.00 0.00 C ATOM 999 C LEU A 75 8.996 -4.139 -1.186 1.00 0.00 C ATOM 1000 O LEU A 75 8.936 -4.841 -0.177 1.00 0.00 O ATOM 1001 CB LEU A 75 7.667 -2.059 -0.772 1.00 0.00 C ATOM 1002 CG LEU A 75 7.603 -0.555 -0.494 1.00 0.00 C ATOM 1003 CD1 LEU A 75 6.200 -0.154 -0.066 1.00 0.00 C ATOM 1004 CD2 LEU A 75 8.615 -0.164 0.569 1.00 0.00 C ATOM 0 H LEU A 75 8.874 -1.608 -2.901 1.00 0.00 H new ATOM 0 HA LEU A 75 9.735 -2.360 -0.255 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.016 -2.282 -1.617 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.262 -2.588 0.091 1.00 0.00 H new ATOM 0 HG LEU A 75 7.850 -0.024 -1.414 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.171 0.918 0.128 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.494 -0.398 -0.859 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.928 -0.694 0.841 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.554 0.909 0.752 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.400 -0.703 1.492 1.00 0.00 H new ATOM 0 HD23 LEU A 75 9.618 -0.417 0.227 1.00 0.00 H new ATOM 1016 N LEU A 76 9.001 -4.642 -2.421 1.00 0.00 N ATOM 1017 CA LEU A 76 8.935 -6.081 -2.672 1.00 0.00 C ATOM 1018 C LEU A 76 9.868 -6.859 -1.745 1.00 0.00 C ATOM 1019 O LEU A 76 9.416 -7.521 -0.811 1.00 0.00 O ATOM 1020 CB LEU A 76 9.290 -6.378 -4.131 1.00 0.00 C ATOM 1021 CG LEU A 76 8.111 -6.344 -5.105 1.00 0.00 C ATOM 1022 CD1 LEU A 76 8.569 -6.700 -6.511 1.00 0.00 C ATOM 1023 CD2 LEU A 76 7.013 -7.291 -4.643 1.00 0.00 C ATOM 0 H LEU A 76 9.050 -4.072 -3.265 1.00 0.00 H new ATOM 0 HA LEU A 76 7.914 -6.404 -2.471 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.036 -5.655 -4.462 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.756 -7.362 -4.182 1.00 0.00 H new ATOM 0 HG LEU A 76 7.707 -5.332 -5.123 1.00 0.00 H new ATOM 0 HD11 LEU A 76 7.717 -6.671 -7.190 1.00 0.00 H new ATOM 0 HD12 LEU A 76 9.321 -5.983 -6.841 1.00 0.00 H new ATOM 0 HD13 LEU A 76 8.998 -7.702 -6.511 1.00 0.00 H new ATOM 0 HD21 LEU A 76 6.181 -7.255 -5.347 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.405 -8.307 -4.596 1.00 0.00 H new ATOM 0 HD23 LEU A 76 6.665 -6.990 -3.655 1.00 0.00 H new ATOM 1035 N GLY A 77 11.168 -6.774 -2.009 1.00 0.00 N ATOM 1036 CA GLY A 77 12.141 -7.475 -1.188 1.00 0.00 C ATOM 1037 C GLY A 77 11.960 -7.206 0.295 1.00 0.00 C ATOM 1038 O GLY A 77 12.361 -8.012 1.133 1.00 0.00 O ATOM 0 H GLY A 77 11.566 -6.233 -2.776 1.00 0.00 H new ATOM 0 HA2 GLY A 77 12.060 -8.546 -1.371 1.00 0.00 H new ATOM 0 HA3 GLY A 77 13.145 -7.176 -1.487 1.00 0.00 H new ATOM 1042 N LYS A 78 11.354 -6.069 0.617 1.00 0.00 N ATOM 1043 CA LYS A 78 11.118 -5.690 2.005 1.00 0.00 C ATOM 1044 C LYS A 78 9.887 -6.381 2.560 1.00 0.00 C ATOM 1045 O LYS A 78 8.967 -6.734 1.824 1.00 0.00 O ATOM 1046 CB LYS A 78 10.946 -4.178 2.117 1.00 0.00 C ATOM 1047 CG LYS A 78 12.261 -3.432 2.235 1.00 0.00 C ATOM 1048 CD LYS A 78 12.067 -1.996 2.679 1.00 0.00 C ATOM 1049 CE LYS A 78 11.092 -1.262 1.780 1.00 0.00 C ATOM 1050 NZ LYS A 78 11.743 -0.790 0.525 1.00 0.00 N ATOM 0 H LYS A 78 11.016 -5.392 -0.067 1.00 0.00 H new ATOM 0 HA LYS A 78 11.984 -6.003 2.588 1.00 0.00 H new ATOM 0 HB2 LYS A 78 10.407 -3.815 1.242 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.329 -3.953 2.987 1.00 0.00 H new ATOM 0 HG2 LYS A 78 12.906 -3.947 2.947 1.00 0.00 H new ATOM 0 HG3 LYS A 78 12.773 -3.447 1.273 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.701 -1.978 3.706 1.00 0.00 H new ATOM 0 HD3 LYS A 78 13.027 -1.480 2.674 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.260 -1.921 1.532 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.675 -0.409 2.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.263 0.068 0.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.744 -0.577 0.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.677 -1.532 -0.201 1.00 0.00 H new ATOM 1064 N ALA A 79 9.877 -6.552 3.872 1.00 0.00 N ATOM 1065 CA ALA A 79 8.760 -7.177 4.549 1.00 0.00 C ATOM 1066 C ALA A 79 7.783 -6.112 5.011 1.00 0.00 C ATOM 1067 O ALA A 79 7.902 -4.945 4.636 1.00 0.00 O ATOM 1068 CB ALA A 79 9.254 -8.004 5.727 1.00 0.00 C ATOM 0 H ALA A 79 10.636 -6.264 4.489 1.00 0.00 H new ATOM 0 HA ALA A 79 8.248 -7.845 3.857 1.00 0.00 H new ATOM 0 HB1 ALA A 79 8.404 -8.468 6.227 1.00 0.00 H new ATOM 0 HB2 ALA A 79 9.932 -8.779 5.369 1.00 0.00 H new ATOM 0 HB3 ALA A 79 9.780 -7.358 6.430 1.00 0.00 H new ATOM 1074 N ASN A 80 6.819 -6.505 5.826 1.00 0.00 N ATOM 1075 CA ASN A 80 5.834 -5.562 6.329 1.00 0.00 C ATOM 1076 C ASN A 80 6.512 -4.449 7.125 1.00 0.00 C ATOM 1077 O ASN A 80 6.199 -3.272 6.955 1.00 0.00 O ATOM 1078 CB ASN A 80 4.810 -6.285 7.207 1.00 0.00 C ATOM 1079 CG ASN A 80 4.331 -7.585 6.589 1.00 0.00 C ATOM 1080 OD1 ASN A 80 4.086 -8.585 7.429 1.00 0.00 O flip ATOM 1081 ND2 ASN A 80 4.183 -7.691 5.372 1.00 0.00 N flip ATOM 0 H ASN A 80 6.697 -7.464 6.152 1.00 0.00 H new ATOM 0 HA ASN A 80 5.320 -5.116 5.478 1.00 0.00 H new ATOM 0 HB2 ASN A 80 5.253 -6.491 8.182 1.00 0.00 H new ATOM 0 HB3 ASN A 80 3.955 -5.630 7.377 1.00 0.00 H new ATOM 0 HD21 ASN A 80 4.383 -6.898 4.763 1.00 0.00 H new ATOM 0 HD22 ASN A 80 3.861 -8.572 4.972 1.00 0.00 H new ATOM 1088 N GLN A 81 7.432 -4.835 8.002 1.00 0.00 N ATOM 1089 CA GLN A 81 8.148 -3.879 8.847 1.00 0.00 C ATOM 1090 C GLN A 81 9.132 -3.002 8.066 1.00 0.00 C ATOM 1091 O GLN A 81 9.234 -1.802 8.329 1.00 0.00 O ATOM 1092 CB GLN A 81 8.892 -4.617 9.964 1.00 0.00 C ATOM 1093 CG GLN A 81 9.653 -5.844 9.489 1.00 0.00 C ATOM 1094 CD GLN A 81 11.091 -5.863 9.969 1.00 0.00 C ATOM 1095 OE1 GLN A 81 11.558 -6.856 10.527 1.00 0.00 O ATOM 1096 NE2 GLN A 81 11.801 -4.762 9.757 1.00 0.00 N ATOM 0 H GLN A 81 7.702 -5.808 8.149 1.00 0.00 H new ATOM 0 HA GLN A 81 7.394 -3.215 9.270 1.00 0.00 H new ATOM 0 HB2 GLN A 81 9.591 -3.928 10.438 1.00 0.00 H new ATOM 0 HB3 GLN A 81 8.175 -4.919 10.727 1.00 0.00 H new ATOM 0 HG2 GLN A 81 9.145 -6.741 9.842 1.00 0.00 H new ATOM 0 HG3 GLN A 81 9.637 -5.877 8.400 1.00 0.00 H new ATOM 0 HE21 GLN A 81 11.374 -3.962 9.290 1.00 0.00 H new ATOM 0 HE22 GLN A 81 12.774 -4.716 10.061 1.00 0.00 H new ATOM 1105 N GLU A 82 9.868 -3.588 7.123 1.00 0.00 N ATOM 1106 CA GLU A 82 10.843 -2.827 6.353 1.00 0.00 C ATOM 1107 C GLU A 82 10.159 -1.831 5.431 1.00 0.00 C ATOM 1108 O GLU A 82 10.591 -0.684 5.310 1.00 0.00 O ATOM 1109 CB GLU A 82 11.732 -3.770 5.538 1.00 0.00 C ATOM 1110 CG GLU A 82 12.404 -4.846 6.372 1.00 0.00 C ATOM 1111 CD GLU A 82 13.496 -5.575 5.613 1.00 0.00 C ATOM 1112 OE1 GLU A 82 14.155 -4.939 4.765 1.00 0.00 O ATOM 1113 OE2 GLU A 82 13.690 -6.782 5.867 1.00 0.00 O ATOM 0 H GLU A 82 9.807 -4.576 6.878 1.00 0.00 H new ATOM 0 HA GLU A 82 11.463 -2.271 7.056 1.00 0.00 H new ATOM 0 HB2 GLU A 82 11.129 -4.246 4.764 1.00 0.00 H new ATOM 0 HB3 GLU A 82 12.498 -3.185 5.030 1.00 0.00 H new ATOM 0 HG2 GLU A 82 12.829 -4.394 7.268 1.00 0.00 H new ATOM 0 HG3 GLU A 82 11.655 -5.565 6.703 1.00 0.00 H new ATOM 1120 N ALA A 83 9.091 -2.267 4.780 1.00 0.00 N ATOM 1121 CA ALA A 83 8.356 -1.403 3.877 1.00 0.00 C ATOM 1122 C ALA A 83 7.636 -0.321 4.662 1.00 0.00 C ATOM 1123 O ALA A 83 7.475 0.805 4.190 1.00 0.00 O ATOM 1124 CB ALA A 83 7.382 -2.215 3.042 1.00 0.00 C ATOM 0 H ALA A 83 8.717 -3.212 4.862 1.00 0.00 H new ATOM 0 HA ALA A 83 9.058 -0.921 3.197 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.838 -1.552 2.370 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.931 -2.953 2.458 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.676 -2.724 3.699 1.00 0.00 H new ATOM 1130 N MET A 84 7.217 -0.670 5.872 1.00 0.00 N ATOM 1131 CA MET A 84 6.525 0.275 6.736 1.00 0.00 C ATOM 1132 C MET A 84 7.480 1.360 7.213 1.00 0.00 C ATOM 1133 O MET A 84 7.079 2.502 7.435 1.00 0.00 O ATOM 1134 CB MET A 84 5.909 -0.438 7.937 1.00 0.00 C ATOM 1135 CG MET A 84 4.405 -0.572 7.827 1.00 0.00 C ATOM 1136 SD MET A 84 3.728 -1.800 8.949 1.00 0.00 S ATOM 1137 CE MET A 84 3.673 -3.211 7.857 1.00 0.00 C ATOM 0 H MET A 84 7.344 -1.598 6.275 1.00 0.00 H new ATOM 0 HA MET A 84 5.725 0.736 6.157 1.00 0.00 H new ATOM 0 HB2 MET A 84 6.352 -1.429 8.033 1.00 0.00 H new ATOM 0 HB3 MET A 84 6.156 0.111 8.846 1.00 0.00 H new ATOM 0 HG2 MET A 84 3.943 0.394 8.032 1.00 0.00 H new ATOM 0 HG3 MET A 84 4.143 -0.839 6.803 1.00 0.00 H new ATOM 0 HE1 MET A 84 2.635 -3.483 7.665 1.00 0.00 H new ATOM 0 HE2 MET A 84 4.163 -2.962 6.916 1.00 0.00 H new ATOM 0 HE3 MET A 84 4.188 -4.051 8.322 1.00 0.00 H new ATOM 1147 N GLU A 85 8.748 0.992 7.358 1.00 0.00 N ATOM 1148 CA GLU A 85 9.771 1.930 7.797 1.00 0.00 C ATOM 1149 C GLU A 85 10.206 2.797 6.627 1.00 0.00 C ATOM 1150 O GLU A 85 10.343 4.009 6.756 1.00 0.00 O ATOM 1151 CB GLU A 85 10.964 1.171 8.402 1.00 0.00 C ATOM 1152 CG GLU A 85 12.185 1.085 7.496 1.00 0.00 C ATOM 1153 CD GLU A 85 13.320 0.300 8.122 1.00 0.00 C ATOM 1154 OE1 GLU A 85 13.044 -0.742 8.755 1.00 0.00 O ATOM 1155 OE2 GLU A 85 14.486 0.726 7.979 1.00 0.00 O ATOM 0 H GLU A 85 9.091 0.049 7.177 1.00 0.00 H new ATOM 0 HA GLU A 85 9.361 2.578 8.571 1.00 0.00 H new ATOM 0 HB2 GLU A 85 11.253 1.657 9.334 1.00 0.00 H new ATOM 0 HB3 GLU A 85 10.644 0.160 8.656 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.901 0.617 6.553 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.530 2.092 7.261 1.00 0.00 H new ATOM 1162 N THR A 86 10.399 2.165 5.478 1.00 0.00 N ATOM 1163 CA THR A 86 10.791 2.881 4.277 1.00 0.00 C ATOM 1164 C THR A 86 9.733 3.929 3.953 1.00 0.00 C ATOM 1165 O THR A 86 10.049 5.037 3.522 1.00 0.00 O ATOM 1166 CB THR A 86 10.964 1.899 3.114 1.00 0.00 C ATOM 1167 OG1 THR A 86 12.266 1.340 3.124 1.00 0.00 O ATOM 1168 CG2 THR A 86 10.739 2.510 1.746 1.00 0.00 C ATOM 0 H THR A 86 10.290 1.158 5.354 1.00 0.00 H new ATOM 0 HA THR A 86 11.746 3.382 4.439 1.00 0.00 H new ATOM 0 HB THR A 86 10.197 1.141 3.273 1.00 0.00 H new ATOM 0 HG1 THR A 86 12.645 1.377 2.221 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.881 1.748 0.979 1.00 0.00 H new ATOM 0 HG22 THR A 86 9.724 2.902 1.685 1.00 0.00 H new ATOM 0 HG23 THR A 86 11.450 3.321 1.588 1.00 0.00 H new ATOM 1176 N LEU A 87 8.479 3.570 4.198 1.00 0.00 N ATOM 1177 CA LEU A 87 7.369 4.477 3.970 1.00 0.00 C ATOM 1178 C LEU A 87 7.437 5.599 4.990 1.00 0.00 C ATOM 1179 O LEU A 87 7.485 6.775 4.638 1.00 0.00 O ATOM 1180 CB LEU A 87 6.033 3.739 4.082 1.00 0.00 C ATOM 1181 CG LEU A 87 5.717 2.796 2.920 1.00 0.00 C ATOM 1182 CD1 LEU A 87 4.650 1.792 3.325 1.00 0.00 C ATOM 1183 CD2 LEU A 87 5.273 3.588 1.699 1.00 0.00 C ATOM 0 H LEU A 87 8.208 2.654 4.556 1.00 0.00 H new ATOM 0 HA LEU A 87 7.440 4.888 2.963 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.029 3.164 5.008 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.233 4.476 4.160 1.00 0.00 H new ATOM 0 HG LEU A 87 6.623 2.247 2.662 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.437 1.129 2.486 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.006 1.204 4.171 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.741 2.322 3.608 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.052 2.902 0.881 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.379 4.162 1.943 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.070 4.268 1.397 1.00 0.00 H new ATOM 1195 N ARG A 88 7.482 5.217 6.264 1.00 0.00 N ATOM 1196 CA ARG A 88 7.590 6.188 7.341 1.00 0.00 C ATOM 1197 C ARG A 88 8.818 7.064 7.109 1.00 0.00 C ATOM 1198 O ARG A 88 8.854 8.233 7.494 1.00 0.00 O ATOM 1199 CB ARG A 88 7.660 5.476 8.703 1.00 0.00 C ATOM 1200 CG ARG A 88 9.052 5.423 9.320 1.00 0.00 C ATOM 1201 CD ARG A 88 9.078 4.549 10.564 1.00 0.00 C ATOM 1202 NE ARG A 88 9.974 5.082 11.589 1.00 0.00 N ATOM 1203 CZ ARG A 88 10.356 4.400 12.666 1.00 0.00 C ATOM 1204 NH1 ARG A 88 9.925 3.160 12.863 1.00 0.00 N ATOM 1205 NH2 ARG A 88 11.174 4.957 13.548 1.00 0.00 N ATOM 0 H ARG A 88 7.445 4.245 6.571 1.00 0.00 H new ATOM 0 HA ARG A 88 6.704 6.823 7.349 1.00 0.00 H new ATOM 0 HB2 ARG A 88 6.988 5.981 9.397 1.00 0.00 H new ATOM 0 HB3 ARG A 88 7.290 4.457 8.585 1.00 0.00 H new ATOM 0 HG2 ARG A 88 9.761 5.037 8.588 1.00 0.00 H new ATOM 0 HG3 ARG A 88 9.376 6.432 9.576 1.00 0.00 H new ATOM 0 HD2 ARG A 88 8.070 4.467 10.971 1.00 0.00 H new ATOM 0 HD3 ARG A 88 9.395 3.542 10.293 1.00 0.00 H new ATOM 0 HE ARG A 88 10.327 6.032 11.472 1.00 0.00 H new ATOM 0 HH11 ARG A 88 9.297 2.725 12.187 1.00 0.00 H new ATOM 0 HH12 ARG A 88 10.221 2.642 13.690 1.00 0.00 H new ATOM 0 HH21 ARG A 88 11.511 5.909 13.401 1.00 0.00 H new ATOM 0 HH22 ARG A 88 11.467 4.434 14.373 1.00 0.00 H new ATOM 1219 N ARG A 89 9.816 6.477 6.451 1.00 0.00 N ATOM 1220 CA ARG A 89 11.047 7.181 6.132 1.00 0.00 C ATOM 1221 C ARG A 89 10.796 8.200 5.032 1.00 0.00 C ATOM 1222 O ARG A 89 11.198 9.359 5.139 1.00 0.00 O ATOM 1223 CB ARG A 89 12.124 6.186 5.691 1.00 0.00 C ATOM 1224 CG ARG A 89 13.202 5.949 6.736 1.00 0.00 C ATOM 1225 CD ARG A 89 12.610 5.681 8.112 1.00 0.00 C ATOM 1226 NE ARG A 89 12.601 6.880 8.946 1.00 0.00 N ATOM 1227 CZ ARG A 89 13.701 7.500 9.366 1.00 0.00 C ATOM 1228 NH1 ARG A 89 14.901 7.040 9.030 1.00 0.00 N ATOM 1229 NH2 ARG A 89 13.602 8.586 10.122 1.00 0.00 N ATOM 0 H ARG A 89 9.791 5.510 6.129 1.00 0.00 H new ATOM 0 HA ARG A 89 11.394 7.703 7.024 1.00 0.00 H new ATOM 0 HB2 ARG A 89 11.650 5.235 5.449 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.591 6.551 4.776 1.00 0.00 H new ATOM 0 HG2 ARG A 89 13.819 5.102 6.435 1.00 0.00 H new ATOM 0 HG3 ARG A 89 13.857 6.819 6.786 1.00 0.00 H new ATOM 0 HD2 ARG A 89 11.592 5.308 8.002 1.00 0.00 H new ATOM 0 HD3 ARG A 89 13.184 4.899 8.608 1.00 0.00 H new ATOM 0 HE ARG A 89 11.698 7.265 9.223 1.00 0.00 H new ATOM 0 HH11 ARG A 89 14.983 6.207 8.447 1.00 0.00 H new ATOM 0 HH12 ARG A 89 15.740 7.520 9.355 1.00 0.00 H new ATOM 0 HH21 ARG A 89 12.683 8.945 10.381 1.00 0.00 H new ATOM 0 HH22 ARG A 89 14.445 9.062 10.444 1.00 0.00 H new ATOM 1243 N SER A 90 10.116 7.760 3.979 1.00 0.00 N ATOM 1244 CA SER A 90 9.795 8.636 2.864 1.00 0.00 C ATOM 1245 C SER A 90 8.923 9.789 3.342 1.00 0.00 C ATOM 1246 O SER A 90 9.120 10.938 2.951 1.00 0.00 O ATOM 1247 CB SER A 90 9.085 7.858 1.753 1.00 0.00 C ATOM 1248 OG SER A 90 9.615 6.549 1.630 1.00 0.00 O ATOM 0 H SER A 90 9.778 6.803 3.876 1.00 0.00 H new ATOM 0 HA SER A 90 10.724 9.038 2.460 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.018 7.803 1.968 1.00 0.00 H new ATOM 0 HB3 SER A 90 9.193 8.388 0.807 1.00 0.00 H new ATOM 0 HG SER A 90 9.192 5.961 2.290 1.00 0.00 H new ATOM 1254 N MET A 91 7.970 9.471 4.209 1.00 0.00 N ATOM 1255 CA MET A 91 7.083 10.481 4.765 1.00 0.00 C ATOM 1256 C MET A 91 7.800 11.268 5.860 1.00 0.00 C ATOM 1257 O MET A 91 7.346 12.339 6.267 1.00 0.00 O ATOM 1258 CB MET A 91 5.819 9.833 5.341 1.00 0.00 C ATOM 1259 CG MET A 91 5.132 8.861 4.396 1.00 0.00 C ATOM 1260 SD MET A 91 4.876 9.545 2.748 1.00 0.00 S ATOM 1261 CE MET A 91 4.346 8.082 1.862 1.00 0.00 C ATOM 0 H MET A 91 7.793 8.523 4.541 1.00 0.00 H new ATOM 0 HA MET A 91 6.796 11.161 3.963 1.00 0.00 H new ATOM 0 HB2 MET A 91 6.080 9.307 6.259 1.00 0.00 H new ATOM 0 HB3 MET A 91 5.113 10.618 5.613 1.00 0.00 H new ATOM 0 HG2 MET A 91 5.731 7.954 4.318 1.00 0.00 H new ATOM 0 HG3 MET A 91 4.169 8.572 4.817 1.00 0.00 H new ATOM 0 HE1 MET A 91 4.079 8.352 0.840 1.00 0.00 H new ATOM 0 HE2 MET A 91 5.157 7.354 1.845 1.00 0.00 H new ATOM 0 HE3 MET A 91 3.479 7.648 2.361 1.00 0.00 H new ATOM 1271 N SER A 92 8.916 10.722 6.341 1.00 0.00 N ATOM 1272 CA SER A 92 9.688 11.362 7.399 1.00 0.00 C ATOM 1273 C SER A 92 10.626 12.437 6.857 1.00 0.00 C ATOM 1274 O SER A 92 10.628 13.569 7.342 1.00 0.00 O ATOM 1275 CB SER A 92 10.493 10.315 8.171 1.00 0.00 C ATOM 1276 OG SER A 92 11.502 10.924 8.958 1.00 0.00 O ATOM 0 H SER A 92 9.304 9.837 6.013 1.00 0.00 H new ATOM 0 HA SER A 92 8.978 11.849 8.068 1.00 0.00 H new ATOM 0 HB2 SER A 92 9.826 9.739 8.812 1.00 0.00 H new ATOM 0 HB3 SER A 92 10.947 9.613 7.472 1.00 0.00 H new ATOM 0 HG SER A 92 12.359 10.478 8.793 1.00 0.00 H new ATOM 1282 N THR A 93 11.435 12.081 5.864 1.00 0.00 N ATOM 1283 CA THR A 93 12.386 13.028 5.287 1.00 0.00 C ATOM 1284 C THR A 93 13.153 12.422 4.110 1.00 0.00 C ATOM 1285 O THR A 93 14.375 12.283 4.161 1.00 0.00 O ATOM 1286 CB THR A 93 13.377 13.476 6.359 1.00 0.00 C ATOM 1287 OG1 THR A 93 14.261 14.460 5.851 1.00 0.00 O ATOM 1288 CG2 THR A 93 14.213 12.334 6.894 1.00 0.00 C ATOM 0 H THR A 93 11.453 11.152 5.444 1.00 0.00 H new ATOM 0 HA THR A 93 11.819 13.881 4.915 1.00 0.00 H new ATOM 0 HB THR A 93 12.772 13.882 7.170 1.00 0.00 H new ATOM 0 HG1 THR A 93 14.783 14.081 5.113 1.00 0.00 H new ATOM 0 HG21 THR A 93 14.900 12.710 7.653 1.00 0.00 H new ATOM 0 HG22 THR A 93 13.560 11.581 7.336 1.00 0.00 H new ATOM 0 HG23 THR A 93 14.782 11.887 6.079 1.00 0.00 H new ATOM 1296 N GLU A 94 12.433 12.082 3.051 1.00 0.00 N ATOM 1297 CA GLU A 94 13.038 11.506 1.855 1.00 0.00 C ATOM 1298 C GLU A 94 12.033 11.535 0.721 1.00 0.00 C ATOM 1299 O GLU A 94 12.340 11.960 -0.392 1.00 0.00 O ATOM 1300 CB GLU A 94 13.496 10.068 2.112 1.00 0.00 C ATOM 1301 CG GLU A 94 14.771 9.972 2.932 1.00 0.00 C ATOM 1302 CD GLU A 94 15.598 8.751 2.582 1.00 0.00 C ATOM 1303 OE1 GLU A 94 16.411 8.834 1.636 1.00 0.00 O ATOM 1304 OE2 GLU A 94 15.434 7.710 3.254 1.00 0.00 O ATOM 0 H GLU A 94 11.421 12.196 2.994 1.00 0.00 H new ATOM 0 HA GLU A 94 13.914 12.097 1.586 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.701 9.529 2.628 1.00 0.00 H new ATOM 0 HB3 GLU A 94 13.651 9.569 1.156 1.00 0.00 H new ATOM 0 HG2 GLU A 94 15.369 10.869 2.773 1.00 0.00 H new ATOM 0 HG3 GLU A 94 14.516 9.942 3.991 1.00 0.00 H new ATOM 1311 N GLY A 95 10.815 11.112 1.031 1.00 0.00 N ATOM 1312 CA GLY A 95 9.762 11.130 0.044 1.00 0.00 C ATOM 1313 C GLY A 95 9.476 12.546 -0.390 1.00 0.00 C ATOM 1314 O GLY A 95 9.095 12.795 -1.532 1.00 0.00 O ATOM 0 H GLY A 95 10.541 10.758 1.947 1.00 0.00 H new ATOM 0 HA2 GLY A 95 10.052 10.530 -0.818 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.859 10.680 0.457 1.00 0.00 H new ATOM 1318 N ASN A 96 9.691 13.484 0.530 1.00 0.00 N ATOM 1319 CA ASN A 96 9.489 14.892 0.249 1.00 0.00 C ATOM 1320 C ASN A 96 10.783 15.493 -0.303 1.00 0.00 C ATOM 1321 O ASN A 96 11.253 15.077 -1.359 1.00 0.00 O ATOM 1322 CB ASN A 96 9.027 15.632 1.511 1.00 0.00 C ATOM 1323 CG ASN A 96 8.695 17.094 1.252 1.00 0.00 C ATOM 1324 OD1 ASN A 96 8.257 17.407 0.035 1.00 0.00 O flip ATOM 1325 ND2 ASN A 96 8.831 17.936 2.140 1.00 0.00 N flip ATOM 0 H ASN A 96 10.007 13.286 1.480 1.00 0.00 H new ATOM 0 HA ASN A 96 8.706 15.002 -0.501 1.00 0.00 H new ATOM 0 HB2 ASN A 96 8.148 15.132 1.918 1.00 0.00 H new ATOM 0 HB3 ASN A 96 9.808 15.571 2.269 1.00 0.00 H new ATOM 0 HD21 ASN A 96 9.170 17.656 3.061 1.00 0.00 H new ATOM 0 HD22 ASN A 96 8.605 18.913 1.955 1.00 0.00 H new ATOM 1332 N LYS A 97 11.370 16.459 0.404 1.00 0.00 N ATOM 1333 CA LYS A 97 12.608 17.079 -0.045 1.00 0.00 C ATOM 1334 C LYS A 97 12.420 17.804 -1.384 1.00 0.00 C ATOM 1335 O LYS A 97 13.379 18.329 -1.949 1.00 0.00 O ATOM 1336 CB LYS A 97 13.709 16.019 -0.159 1.00 0.00 C ATOM 1337 CG LYS A 97 14.029 15.332 1.159 1.00 0.00 C ATOM 1338 CD LYS A 97 14.344 16.339 2.253 1.00 0.00 C ATOM 1339 CE LYS A 97 13.109 16.676 3.074 1.00 0.00 C ATOM 1340 NZ LYS A 97 13.441 16.909 4.507 1.00 0.00 N ATOM 0 H LYS A 97 11.007 16.825 1.285 1.00 0.00 H new ATOM 0 HA LYS A 97 12.902 17.825 0.693 1.00 0.00 H new ATOM 0 HB2 LYS A 97 13.404 15.267 -0.887 1.00 0.00 H new ATOM 0 HB3 LYS A 97 14.615 16.487 -0.545 1.00 0.00 H new ATOM 0 HG2 LYS A 97 13.183 14.716 1.464 1.00 0.00 H new ATOM 0 HG3 LYS A 97 14.879 14.663 1.024 1.00 0.00 H new ATOM 0 HD2 LYS A 97 15.118 15.937 2.907 1.00 0.00 H new ATOM 0 HD3 LYS A 97 14.745 17.249 1.807 1.00 0.00 H new ATOM 0 HE2 LYS A 97 12.631 17.565 2.663 1.00 0.00 H new ATOM 0 HE3 LYS A 97 12.388 15.862 2.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 12.610 17.299 4.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 13.714 16.009 4.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 14.231 17.582 4.575 1.00 0.00 H new ATOM 1354 N ARG A 98 11.181 17.833 -1.891 1.00 0.00 N ATOM 1355 CA ARG A 98 10.887 18.494 -3.156 1.00 0.00 C ATOM 1356 C ARG A 98 9.453 19.023 -3.176 1.00 0.00 C ATOM 1357 O ARG A 98 9.191 20.114 -3.681 1.00 0.00 O ATOM 1358 CB ARG A 98 11.103 17.545 -4.347 1.00 0.00 C ATOM 1359 CG ARG A 98 11.572 16.141 -3.977 1.00 0.00 C ATOM 1360 CD ARG A 98 10.405 15.173 -3.868 1.00 0.00 C ATOM 1361 NE ARG A 98 9.858 14.831 -5.178 1.00 0.00 N ATOM 1362 CZ ARG A 98 10.347 13.870 -5.960 1.00 0.00 C ATOM 1363 NH1 ARG A 98 11.398 13.157 -5.572 1.00 0.00 N ATOM 1364 NH2 ARG A 98 9.787 13.625 -7.137 1.00 0.00 N ATOM 0 H ARG A 98 10.372 17.406 -1.441 1.00 0.00 H new ATOM 0 HA ARG A 98 11.577 19.333 -3.249 1.00 0.00 H new ATOM 0 HB2 ARG A 98 10.168 17.465 -4.902 1.00 0.00 H new ATOM 0 HB3 ARG A 98 11.836 17.991 -5.019 1.00 0.00 H new ATOM 0 HG2 ARG A 98 12.275 15.782 -4.728 1.00 0.00 H new ATOM 0 HG3 ARG A 98 12.108 16.174 -3.029 1.00 0.00 H new ATOM 0 HD2 ARG A 98 10.733 14.264 -3.363 1.00 0.00 H new ATOM 0 HD3 ARG A 98 9.622 15.616 -3.252 1.00 0.00 H new ATOM 0 HE ARG A 98 9.053 15.360 -5.514 1.00 0.00 H new ATOM 0 HH11 ARG A 98 11.836 13.344 -4.670 1.00 0.00 H new ATOM 0 HH12 ARG A 98 11.767 12.423 -6.176 1.00 0.00 H new ATOM 0 HH21 ARG A 98 8.982 14.172 -7.443 1.00 0.00 H new ATOM 0 HH22 ARG A 98 10.161 12.889 -7.736 1.00 0.00 H new ATOM 1378 N GLY A 99 8.530 18.239 -2.630 1.00 0.00 N ATOM 1379 CA GLY A 99 7.133 18.638 -2.600 1.00 0.00 C ATOM 1380 C GLY A 99 6.198 17.515 -3.018 1.00 0.00 C ATOM 1381 O GLY A 99 5.020 17.751 -3.281 1.00 0.00 O ATOM 0 H GLY A 99 8.724 17.332 -2.206 1.00 0.00 H new ATOM 0 HA2 GLY A 99 6.874 18.967 -1.594 1.00 0.00 H new ATOM 0 HA3 GLY A 99 6.988 19.492 -3.261 1.00 0.00 H new ATOM 1385 N MET A 100 6.725 16.295 -3.078 1.00 0.00 N ATOM 1386 CA MET A 100 5.942 15.133 -3.465 1.00 0.00 C ATOM 1387 C MET A 100 6.777 13.858 -3.386 1.00 0.00 C ATOM 1388 O MET A 100 8.004 13.915 -3.330 1.00 0.00 O ATOM 1389 CB MET A 100 5.402 15.321 -4.883 1.00 0.00 C ATOM 1390 CG MET A 100 6.442 15.129 -5.976 1.00 0.00 C ATOM 1391 SD MET A 100 5.830 14.139 -7.353 1.00 0.00 S ATOM 1392 CE MET A 100 5.249 12.684 -6.483 1.00 0.00 C ATOM 0 H MET A 100 7.700 16.088 -2.861 1.00 0.00 H new ATOM 0 HA MET A 100 5.108 15.034 -2.771 1.00 0.00 H new ATOM 0 HB2 MET A 100 4.586 14.617 -5.045 1.00 0.00 H new ATOM 0 HB3 MET A 100 4.981 16.323 -4.970 1.00 0.00 H new ATOM 0 HG2 MET A 100 6.757 16.104 -6.347 1.00 0.00 H new ATOM 0 HG3 MET A 100 7.324 14.649 -5.552 1.00 0.00 H new ATOM 0 HE1 MET A 100 5.157 11.854 -7.183 1.00 0.00 H new ATOM 0 HE2 MET A 100 5.960 12.421 -5.700 1.00 0.00 H new ATOM 0 HE3 MET A 100 4.277 12.891 -6.036 1.00 0.00 H new ATOM 1402 N ILE A 101 6.104 12.712 -3.388 1.00 0.00 N ATOM 1403 CA ILE A 101 6.787 11.424 -3.320 1.00 0.00 C ATOM 1404 C ILE A 101 6.067 10.381 -4.174 1.00 0.00 C ATOM 1405 O ILE A 101 4.838 10.358 -4.239 1.00 0.00 O ATOM 1406 CB ILE A 101 6.922 10.927 -1.852 1.00 0.00 C ATOM 1407 CG1 ILE A 101 6.325 9.528 -1.661 1.00 0.00 C ATOM 1408 CG2 ILE A 101 6.272 11.907 -0.889 1.00 0.00 C ATOM 1409 CD1 ILE A 101 6.475 9.004 -0.249 1.00 0.00 C ATOM 0 H ILE A 101 5.087 12.648 -3.436 1.00 0.00 H new ATOM 0 HA ILE A 101 7.792 11.565 -3.719 1.00 0.00 H new ATOM 0 HB ILE A 101 7.988 10.866 -1.633 1.00 0.00 H new ATOM 0 HG12 ILE A 101 5.267 9.553 -1.922 1.00 0.00 H new ATOM 0 HG13 ILE A 101 6.808 8.837 -2.352 1.00 0.00 H new ATOM 0 HG21 ILE A 101 6.378 11.539 0.132 1.00 0.00 H new ATOM 0 HG22 ILE A 101 6.757 12.879 -0.977 1.00 0.00 H new ATOM 0 HG23 ILE A 101 5.214 12.006 -1.130 1.00 0.00 H new ATOM 0 HD11 ILE A 101 6.032 8.010 -0.181 1.00 0.00 H new ATOM 0 HD12 ILE A 101 7.533 8.948 0.008 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.968 9.675 0.444 1.00 0.00 H new ATOM 1421 N GLN A 102 6.845 9.524 -4.830 1.00 0.00 N ATOM 1422 CA GLN A 102 6.286 8.484 -5.683 1.00 0.00 C ATOM 1423 C GLN A 102 5.946 7.240 -4.870 1.00 0.00 C ATOM 1424 O GLN A 102 6.647 6.900 -3.917 1.00 0.00 O ATOM 1425 CB GLN A 102 7.270 8.126 -6.797 1.00 0.00 C ATOM 1426 CG GLN A 102 6.668 7.247 -7.882 1.00 0.00 C ATOM 1427 CD GLN A 102 7.692 6.330 -8.525 1.00 0.00 C ATOM 1428 OE1 GLN A 102 7.831 5.170 -8.141 1.00 0.00 O ATOM 1429 NE2 GLN A 102 8.416 6.851 -9.509 1.00 0.00 N ATOM 0 H GLN A 102 7.864 9.531 -4.786 1.00 0.00 H new ATOM 0 HA GLN A 102 5.368 8.868 -6.128 1.00 0.00 H new ATOM 0 HB2 GLN A 102 7.642 9.045 -7.250 1.00 0.00 H new ATOM 0 HB3 GLN A 102 8.128 7.615 -6.362 1.00 0.00 H new ATOM 0 HG2 GLN A 102 5.866 6.646 -7.454 1.00 0.00 H new ATOM 0 HG3 GLN A 102 6.219 7.879 -8.649 1.00 0.00 H new ATOM 0 HE21 GLN A 102 8.267 7.819 -9.795 1.00 0.00 H new ATOM 0 HE22 GLN A 102 9.121 6.283 -9.979 1.00 0.00 H new ATOM 1438 N LEU A 103 4.868 6.566 -5.252 1.00 0.00 N ATOM 1439 CA LEU A 103 4.439 5.363 -4.554 1.00 0.00 C ATOM 1440 C LEU A 103 3.830 4.353 -5.521 1.00 0.00 C ATOM 1441 O LEU A 103 2.756 4.581 -6.080 1.00 0.00 O ATOM 1442 CB LEU A 103 3.423 5.715 -3.465 1.00 0.00 C ATOM 1443 CG LEU A 103 4.028 6.218 -2.153 1.00 0.00 C ATOM 1444 CD1 LEU A 103 3.170 7.324 -1.559 1.00 0.00 C ATOM 1445 CD2 LEU A 103 4.180 5.071 -1.165 1.00 0.00 C ATOM 0 H LEU A 103 4.277 6.832 -6.040 1.00 0.00 H new ATOM 0 HA LEU A 103 5.318 4.912 -4.094 1.00 0.00 H new ATOM 0 HB2 LEU A 103 2.748 6.478 -3.852 1.00 0.00 H new ATOM 0 HB3 LEU A 103 2.819 4.833 -3.254 1.00 0.00 H new ATOM 0 HG LEU A 103 5.017 6.627 -2.363 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.616 7.669 -0.626 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.110 8.155 -2.262 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.168 6.942 -1.363 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.612 5.445 -0.237 1.00 0.00 H new ATOM 0 HD22 LEU A 103 3.202 4.635 -0.961 1.00 0.00 H new ATOM 0 HD23 LEU A 103 4.835 4.310 -1.589 1.00 0.00 H new ATOM 1457 N ILE A 104 4.520 3.233 -5.706 1.00 0.00 N ATOM 1458 CA ILE A 104 4.044 2.182 -6.594 1.00 0.00 C ATOM 1459 C ILE A 104 3.216 1.166 -5.822 1.00 0.00 C ATOM 1460 O ILE A 104 3.521 0.845 -4.673 1.00 0.00 O ATOM 1461 CB ILE A 104 5.205 1.458 -7.301 1.00 0.00 C ATOM 1462 CG1 ILE A 104 6.049 2.458 -8.089 1.00 0.00 C ATOM 1463 CG2 ILE A 104 4.676 0.367 -8.222 1.00 0.00 C ATOM 1464 CD1 ILE A 104 5.246 3.309 -9.048 1.00 0.00 C ATOM 0 H ILE A 104 5.411 3.031 -5.252 1.00 0.00 H new ATOM 0 HA ILE A 104 3.426 2.662 -7.353 1.00 0.00 H new ATOM 0 HB ILE A 104 5.834 0.990 -6.543 1.00 0.00 H new ATOM 0 HG12 ILE A 104 6.572 3.110 -7.389 1.00 0.00 H new ATOM 0 HG13 ILE A 104 6.811 1.915 -8.649 1.00 0.00 H new ATOM 0 HG21 ILE A 104 5.512 -0.132 -8.712 1.00 0.00 H new ATOM 0 HG22 ILE A 104 4.111 -0.360 -7.638 1.00 0.00 H new ATOM 0 HG23 ILE A 104 4.026 0.811 -8.976 1.00 0.00 H new ATOM 0 HD11 ILE A 104 5.912 3.995 -9.572 1.00 0.00 H new ATOM 0 HD12 ILE A 104 4.744 2.667 -9.772 1.00 0.00 H new ATOM 0 HD13 ILE A 104 4.502 3.880 -8.492 1.00 0.00 H new ATOM 1476 N VAL A 105 2.165 0.670 -6.459 1.00 0.00 N ATOM 1477 CA VAL A 105 1.286 -0.306 -5.826 1.00 0.00 C ATOM 1478 C VAL A 105 0.842 -1.385 -6.806 1.00 0.00 C ATOM 1479 O VAL A 105 1.190 -1.351 -7.987 1.00 0.00 O ATOM 1480 CB VAL A 105 0.035 0.371 -5.233 1.00 0.00 C ATOM 1481 CG1 VAL A 105 0.424 1.337 -4.123 1.00 0.00 C ATOM 1482 CG2 VAL A 105 -0.755 1.085 -6.320 1.00 0.00 C ATOM 0 H VAL A 105 1.900 0.925 -7.410 1.00 0.00 H new ATOM 0 HA VAL A 105 1.864 -0.769 -5.026 1.00 0.00 H new ATOM 0 HB VAL A 105 -0.602 -0.402 -4.803 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.473 1.805 -3.717 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.940 0.793 -3.331 1.00 0.00 H new ATOM 0 HG13 VAL A 105 1.084 2.106 -4.524 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.634 1.556 -5.881 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.129 1.847 -6.784 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -1.069 0.364 -7.075 1.00 0.00 H new ATOM 1492 N ALA A 106 0.068 -2.341 -6.304 1.00 0.00 N ATOM 1493 CA ALA A 106 -0.433 -3.435 -7.123 1.00 0.00 C ATOM 1494 C ALA A 106 -1.889 -3.743 -6.783 1.00 0.00 C ATOM 1495 O ALA A 106 -2.323 -3.562 -5.644 1.00 0.00 O ATOM 1496 CB ALA A 106 0.429 -4.675 -6.939 1.00 0.00 C ATOM 0 H ALA A 106 -0.227 -2.379 -5.328 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.383 -3.129 -8.168 1.00 0.00 H new ATOM 0 HB1 ALA A 106 0.040 -5.483 -7.558 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.454 -4.452 -7.234 1.00 0.00 H new ATOM 0 HB3 ALA A 106 0.411 -4.979 -5.892 1.00 0.00 H new ATOM 1502 N ARG A 107 -2.638 -4.206 -7.779 1.00 0.00 N ATOM 1503 CA ARG A 107 -4.045 -4.537 -7.588 1.00 0.00 C ATOM 1504 C ARG A 107 -4.400 -5.836 -8.304 1.00 0.00 C ATOM 1505 O ARG A 107 -3.997 -6.058 -9.445 1.00 0.00 O ATOM 1506 CB ARG A 107 -4.930 -3.399 -8.102 1.00 0.00 C ATOM 1507 CG ARG A 107 -6.224 -3.235 -7.321 1.00 0.00 C ATOM 1508 CD ARG A 107 -7.244 -2.415 -8.097 1.00 0.00 C ATOM 1509 NE ARG A 107 -7.617 -1.194 -7.386 1.00 0.00 N ATOM 1510 CZ ARG A 107 -8.293 -0.191 -7.943 1.00 0.00 C ATOM 1511 NH1 ARG A 107 -8.668 -0.259 -9.215 1.00 0.00 N ATOM 1512 NH2 ARG A 107 -8.593 0.884 -7.227 1.00 0.00 N ATOM 0 H ARG A 107 -2.294 -4.360 -8.727 1.00 0.00 H new ATOM 0 HA ARG A 107 -4.221 -4.672 -6.521 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -4.369 -2.466 -8.059 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.168 -3.580 -9.150 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -6.641 -4.217 -7.095 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -6.016 -2.750 -6.367 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -6.834 -2.156 -9.073 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -8.135 -3.018 -8.275 1.00 0.00 H new ATOM 0 HE ARG A 107 -7.344 -1.105 -6.407 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -8.438 -1.083 -9.771 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -9.186 0.512 -9.636 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -8.306 0.942 -6.250 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -9.111 1.653 -7.653 1.00 0.00 H new