USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 759 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: C 23 ASN :FLIP amide:sc= -0.577 F(o=-7.9!,f=-3) USER MOD Set 1.2: C 26 GLN : amide:sc= -2.43! C(o=-3!,f=-11!) USER MOD Set 2.1: B 23 ASN : amide:sc=-0.00704 K(o=-0.04,f=-1.5) USER MOD Set 2.2: B 55 GLN :FLIP amide:sc= -0.0332 F(o=-1.6!,f=-0.04) USER MOD Set 3.1: A 14 ASN : amide:sc= -2.33! C(o=-1.3!,f=-5.2!) USER MOD Set 3.2: A 28 SER OG : rot -147:sc= 0.987 USER MOD Set 4.1: A 21 ASN : amide:sc= 1.2 K(o=2.2,f=-0.043) USER MOD Set 4.2: A 22 ASN : amide:sc= 0.96 K(o=2.2,f=-3!) USER MOD Single : A 18 HIS :FLIP no HD1:sc=-0.00959 F(o=-0.63,f=-0.0096) USER MOD Single : A 19 SER OG : rot -120:sc= 0.102 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 21 ASN : amide:sc= 0.593 K(o=0.59,f=-1.6!) USER MOD Single : B 26 GLN : amide:sc= -0.756 K(o=-0.76,f=-4.7!) USER MOD Single : B 32 HIS : no HD1:sc= -0.0398 X(o=-0.04,f=-0.01) USER MOD Single : B 33 SER OG : rot 61:sc= 1.22 USER MOD Single : B 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN : amide:sc= -0.154 K(o=-0.15,f=-1.5!) USER MOD Single : B 41 SER OG : rot -99:sc= 1.25 USER MOD Single : B 43 ASN :FLIP amide:sc= 0 F(o=-0.75,f=0) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 LYS NZ :NH3+ -166:sc= -0.0175 (180deg=-0.225) USER MOD Single : B 52 ASN : amide:sc= -1.9 K(o=-1.9,f=-7!) USER MOD Single : C 18 TYR OH : rot 0:sc=-0.00116 USER MOD Single : C 21 ASN : amide:sc= -0.565 K(o=-0.56,f=-5.9!) USER MOD Single : C 32 HIS : no HD1:sc= 0.303 K(o=0.3,f=-4.4!) USER MOD Single : C 33 SER OG : rot 70:sc= 1.25 USER MOD Single : C 35 HIS : no HD1:sc= 0 X(o=0,f=-0.0015) USER MOD Single : C 39 SER OG : rot 180:sc= 0 USER MOD Single : C 40 GLN : amide:sc= -0.342 K(o=-0.34,f=-4.2!) USER MOD Single : C 41 SER OG : rot 180:sc= 0 USER MOD Single : C 43 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : C 49 LYS NZ :NH3+ 176:sc= -0.303 (180deg=-0.354) USER MOD Single : C 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 52 ASN : amide:sc= -1.88 K(o=-1.9,f=-7.7!) USER MOD Single : C 55 GLN : amide:sc= -0.147 X(o=-0.15,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 42 N LEU A 12 -11.023 6.583 5.942 1.00 0.00 N ATOM 43 CA LEU A 12 -9.863 6.532 5.082 1.00 0.00 C ATOM 44 C LEU A 12 -8.925 5.478 5.617 1.00 0.00 C ATOM 45 O LEU A 12 -8.972 5.145 6.801 1.00 0.00 O ATOM 46 CB LEU A 12 -9.120 7.879 5.004 1.00 0.00 C ATOM 47 CG LEU A 12 -9.776 8.972 4.155 1.00 0.00 C ATOM 48 CD1 LEU A 12 -10.365 8.377 2.892 1.00 0.00 C ATOM 49 CD2 LEU A 12 -10.834 9.717 4.945 1.00 0.00 C ATOM 0 HA LEU A 12 -10.201 6.295 4.073 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.998 8.261 6.018 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.120 7.695 4.611 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.007 9.691 3.872 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.828 9.166 2.299 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.575 7.902 2.310 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.117 7.634 3.156 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.282 10.487 4.317 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.605 9.018 5.269 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.376 10.182 5.818 1.00 0.00 H new ATOM 61 N ALA A 13 -8.088 4.943 4.755 1.00 0.00 N ATOM 62 CA ALA A 13 -7.146 3.937 5.177 1.00 0.00 C ATOM 63 C ALA A 13 -5.728 4.455 5.103 1.00 0.00 C ATOM 64 O ALA A 13 -5.301 5.014 4.092 1.00 0.00 O ATOM 65 CB ALA A 13 -7.286 2.678 4.351 1.00 0.00 C ATOM 0 H ALA A 13 -8.042 5.187 3.766 1.00 0.00 H new ATOM 0 HA ALA A 13 -7.371 3.694 6.215 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.563 1.937 4.692 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -8.294 2.279 4.463 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -7.102 2.909 3.302 1.00 0.00 H new ATOM 71 N ASN A 14 -5.020 4.277 6.193 1.00 0.00 N ATOM 72 CA ASN A 14 -3.609 4.574 6.247 1.00 0.00 C ATOM 73 C ASN A 14 -2.867 3.335 5.793 1.00 0.00 C ATOM 74 O ASN A 14 -3.339 2.219 6.010 1.00 0.00 O ATOM 75 CB ASN A 14 -3.190 4.934 7.674 1.00 0.00 C ATOM 76 CG ASN A 14 -4.176 5.857 8.368 1.00 0.00 C ATOM 77 OD1 ASN A 14 -4.088 7.080 8.266 1.00 0.00 O ATOM 78 ND2 ASN A 14 -5.117 5.273 9.091 1.00 0.00 N ATOM 0 H ASN A 14 -5.406 3.922 7.068 1.00 0.00 H new ATOM 0 HA ASN A 14 -3.378 5.424 5.605 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -3.085 4.019 8.257 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.210 5.411 7.650 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.803 5.840 9.589 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.157 4.256 9.151 1.00 0.00 H new ATOM 85 N PHE A 15 -1.728 3.506 5.161 1.00 0.00 N ATOM 86 CA PHE A 15 -0.986 2.360 4.687 1.00 0.00 C ATOM 87 C PHE A 15 0.248 2.159 5.541 1.00 0.00 C ATOM 88 O PHE A 15 1.256 2.839 5.368 1.00 0.00 O ATOM 89 CB PHE A 15 -0.600 2.543 3.222 1.00 0.00 C ATOM 90 CG PHE A 15 -0.322 1.249 2.516 1.00 0.00 C ATOM 91 CD1 PHE A 15 -1.365 0.494 1.999 1.00 0.00 C ATOM 92 CD2 PHE A 15 0.975 0.784 2.368 1.00 0.00 C ATOM 93 CE1 PHE A 15 -1.119 -0.698 1.348 1.00 0.00 C ATOM 94 CE2 PHE A 15 1.225 -0.407 1.719 1.00 0.00 C ATOM 95 CZ PHE A 15 0.178 -1.149 1.209 1.00 0.00 C ATOM 0 H PHE A 15 -1.301 4.411 4.966 1.00 0.00 H new ATOM 0 HA PHE A 15 -1.616 1.474 4.764 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.404 3.066 2.704 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.284 3.178 3.163 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -2.381 0.843 2.107 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.798 1.360 2.765 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -1.939 -1.276 0.949 1.00 0.00 H new ATOM 0 HE2 PHE A 15 2.240 -0.759 1.610 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.374 -2.082 0.702 1.00 0.00 H new ATOM 105 N LEU A 16 0.158 1.237 6.481 1.00 0.00 N ATOM 106 CA LEU A 16 1.272 0.954 7.359 1.00 0.00 C ATOM 107 C LEU A 16 1.996 -0.273 6.858 1.00 0.00 C ATOM 108 O LEU A 16 1.455 -1.041 6.068 1.00 0.00 O ATOM 109 CB LEU A 16 0.821 0.764 8.820 1.00 0.00 C ATOM 110 CG LEU A 16 0.235 -0.606 9.191 1.00 0.00 C ATOM 111 CD1 LEU A 16 -0.285 -0.585 10.618 1.00 0.00 C ATOM 112 CD2 LEU A 16 -0.867 -1.013 8.243 1.00 0.00 C ATOM 0 H LEU A 16 -0.674 0.673 6.654 1.00 0.00 H new ATOM 0 HA LEU A 16 1.947 1.810 7.348 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.677 0.954 9.467 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.075 1.525 9.047 1.00 0.00 H new ATOM 0 HG LEU A 16 1.034 -1.343 9.110 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.698 -1.562 10.869 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.533 -0.350 11.300 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.063 0.173 10.711 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.258 -1.987 8.536 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.668 -0.275 8.278 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.472 -1.071 7.229 1.00 0.00 H new ATOM 124 N VAL A 17 3.212 -0.451 7.295 1.00 0.00 N ATOM 125 CA VAL A 17 4.006 -1.553 6.832 1.00 0.00 C ATOM 126 C VAL A 17 5.001 -2.006 7.886 1.00 0.00 C ATOM 127 O VAL A 17 5.676 -1.191 8.520 1.00 0.00 O ATOM 128 CB VAL A 17 4.731 -1.183 5.519 1.00 0.00 C ATOM 129 CG1 VAL A 17 5.373 0.181 5.600 1.00 0.00 C ATOM 130 CG2 VAL A 17 5.767 -2.222 5.174 1.00 0.00 C ATOM 0 H VAL A 17 3.675 0.155 7.973 1.00 0.00 H new ATOM 0 HA VAL A 17 3.333 -2.388 6.636 1.00 0.00 H new ATOM 0 HB VAL A 17 3.979 -1.153 4.730 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.873 0.405 4.657 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.607 0.933 5.792 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.103 0.192 6.409 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.267 -1.944 4.246 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.501 -2.284 5.977 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.283 -3.191 5.049 1.00 0.00 H new ATOM 140 N HIS A 18 5.059 -3.313 8.087 1.00 0.00 N ATOM 141 CA HIS A 18 6.081 -3.908 8.917 1.00 0.00 C ATOM 142 C HIS A 18 7.390 -3.834 8.137 1.00 0.00 C ATOM 143 O HIS A 18 7.510 -4.438 7.073 1.00 0.00 O ATOM 144 CB HIS A 18 5.722 -5.356 9.266 1.00 0.00 C ATOM 145 CG HIS A 18 6.449 -5.887 10.467 1.00 0.00 C ATOM 146 ND1 HIS A 18 6.718 -5.315 11.667 1.00 0.00 N flip ATOM 147 CD2 HIS A 18 6.975 -7.156 10.529 1.00 0.00 C flip ATOM 148 CE1 HIS A 18 7.391 -6.242 12.421 1.00 0.00 C flip ATOM 149 NE2 HIS A 18 7.532 -7.344 11.712 1.00 0.00 N flip ATOM 0 H HIS A 18 4.404 -3.981 7.682 1.00 0.00 H new ATOM 0 HA HIS A 18 6.173 -3.374 9.863 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.649 -5.422 9.444 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.942 -5.992 8.409 1.00 0.00 H new ATOM 0 HD2 HIS A 18 6.938 -7.886 9.734 1.00 0.00 H new ATOM 0 HE1 HIS A 18 7.747 -6.093 13.430 1.00 0.00 H new ATOM 0 HE2 HIS A 18 7.994 -8.198 12.024 1.00 0.00 H new ATOM 158 N SER A 19 8.337 -3.095 8.694 1.00 0.00 N ATOM 159 CA SER A 19 9.531 -2.586 8.001 1.00 0.00 C ATOM 160 C SER A 19 10.102 -3.463 6.872 1.00 0.00 C ATOM 161 O SER A 19 10.482 -2.938 5.826 1.00 0.00 O ATOM 162 CB SER A 19 10.624 -2.331 9.034 1.00 0.00 C ATOM 163 OG SER A 19 10.919 -3.512 9.765 1.00 0.00 O ATOM 0 H SER A 19 8.303 -2.818 9.675 1.00 0.00 H new ATOM 0 HA SER A 19 9.196 -1.679 7.498 1.00 0.00 H new ATOM 0 HB2 SER A 19 11.525 -1.973 8.535 1.00 0.00 H new ATOM 0 HB3 SER A 19 10.306 -1.545 9.719 1.00 0.00 H new ATOM 0 HG SER A 19 10.754 -3.356 10.718 1.00 0.00 H new ATOM 169 N SER A 20 10.181 -4.771 7.066 1.00 0.00 N ATOM 170 CA SER A 20 10.987 -5.590 6.174 1.00 0.00 C ATOM 171 C SER A 20 10.221 -6.068 4.933 1.00 0.00 C ATOM 172 O SER A 20 10.680 -5.858 3.809 1.00 0.00 O ATOM 173 CB SER A 20 11.546 -6.789 6.945 1.00 0.00 C ATOM 174 OG SER A 20 12.560 -7.454 6.212 1.00 0.00 O ATOM 0 H SER A 20 9.709 -5.278 7.814 1.00 0.00 H new ATOM 0 HA SER A 20 11.800 -4.962 5.810 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.948 -6.452 7.900 1.00 0.00 H new ATOM 0 HB3 SER A 20 10.739 -7.488 7.167 1.00 0.00 H new ATOM 0 HG SER A 20 12.896 -8.213 6.733 1.00 0.00 H new ATOM 180 N ASN A 21 9.068 -6.706 5.113 1.00 0.00 N ATOM 181 CA ASN A 21 8.407 -7.349 3.976 1.00 0.00 C ATOM 182 C ASN A 21 6.901 -7.078 3.897 1.00 0.00 C ATOM 183 O ASN A 21 6.337 -7.008 2.802 1.00 0.00 O ATOM 184 CB ASN A 21 8.665 -8.861 4.025 1.00 0.00 C ATOM 185 CG ASN A 21 8.051 -9.613 2.856 1.00 0.00 C ATOM 186 OD1 ASN A 21 8.658 -9.734 1.790 1.00 0.00 O ATOM 187 ND2 ASN A 21 6.855 -10.146 3.053 1.00 0.00 N ATOM 0 H ASN A 21 8.582 -6.792 6.006 1.00 0.00 H new ATOM 0 HA ASN A 21 8.839 -6.910 3.076 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.740 -9.039 4.038 1.00 0.00 H new ATOM 0 HB3 ASN A 21 8.264 -9.261 4.956 1.00 0.00 H new ATOM 0 HD21 ASN A 21 6.405 -10.678 2.308 1.00 0.00 H new ATOM 0 HD22 ASN A 21 6.384 -10.024 3.949 1.00 0.00 H new ATOM 194 N ASN A 22 6.253 -6.910 5.039 1.00 0.00 N ATOM 195 CA ASN A 22 4.791 -6.970 5.088 1.00 0.00 C ATOM 196 C ASN A 22 4.143 -5.594 5.150 1.00 0.00 C ATOM 197 O ASN A 22 4.137 -4.951 6.194 1.00 0.00 O ATOM 198 CB ASN A 22 4.332 -7.800 6.293 1.00 0.00 C ATOM 199 CG ASN A 22 4.626 -9.284 6.145 1.00 0.00 C ATOM 200 OD1 ASN A 22 5.585 -9.684 5.485 1.00 0.00 O ATOM 201 ND2 ASN A 22 3.800 -10.111 6.764 1.00 0.00 N ATOM 0 H ASN A 22 6.704 -6.733 5.936 1.00 0.00 H new ATOM 0 HA ASN A 22 4.471 -7.443 4.159 1.00 0.00 H new ATOM 0 HB2 ASN A 22 4.823 -7.427 7.191 1.00 0.00 H new ATOM 0 HB3 ASN A 22 3.260 -7.661 6.435 1.00 0.00 H new ATOM 0 HD21 ASN A 22 3.947 -11.119 6.704 1.00 0.00 H new ATOM 0 HD22 ASN A 22 3.016 -9.741 7.302 1.00 0.00 H new ATOM 208 N PHE A 23 3.582 -5.152 4.031 1.00 0.00 N ATOM 209 CA PHE A 23 2.804 -3.931 3.992 1.00 0.00 C ATOM 210 C PHE A 23 1.334 -4.231 4.281 1.00 0.00 C ATOM 211 O PHE A 23 0.818 -5.275 3.877 1.00 0.00 O ATOM 212 CB PHE A 23 2.963 -3.240 2.632 1.00 0.00 C ATOM 213 CG PHE A 23 3.033 -4.172 1.444 1.00 0.00 C ATOM 214 CD1 PHE A 23 1.895 -4.490 0.705 1.00 0.00 C ATOM 215 CD2 PHE A 23 4.246 -4.724 1.057 1.00 0.00 C ATOM 216 CE1 PHE A 23 1.974 -5.338 -0.383 1.00 0.00 C ATOM 217 CE2 PHE A 23 4.325 -5.572 -0.031 1.00 0.00 C ATOM 218 CZ PHE A 23 3.189 -5.879 -0.751 1.00 0.00 C ATOM 0 H PHE A 23 3.656 -5.630 3.133 1.00 0.00 H new ATOM 0 HA PHE A 23 3.173 -3.254 4.763 1.00 0.00 H new ATOM 0 HB2 PHE A 23 2.126 -2.556 2.489 1.00 0.00 H new ATOM 0 HB3 PHE A 23 3.869 -2.635 2.653 1.00 0.00 H new ATOM 0 HD1 PHE A 23 0.941 -4.069 0.986 1.00 0.00 H new ATOM 0 HD2 PHE A 23 5.141 -4.487 1.614 1.00 0.00 H new ATOM 0 HE1 PHE A 23 1.084 -5.578 -0.946 1.00 0.00 H new ATOM 0 HE2 PHE A 23 5.277 -5.995 -0.318 1.00 0.00 H new ATOM 0 HZ PHE A 23 3.250 -6.542 -1.601 1.00 0.00 H new ATOM 228 N GLY A 24 0.666 -3.335 4.996 1.00 0.00 N ATOM 229 CA GLY A 24 -0.715 -3.569 5.348 1.00 0.00 C ATOM 230 C GLY A 24 -1.578 -2.334 5.221 1.00 0.00 C ATOM 231 O GLY A 24 -1.189 -1.353 4.590 1.00 0.00 O ATOM 0 H GLY A 24 1.056 -2.456 5.336 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.119 -4.354 4.708 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.765 -3.936 6.373 1.00 0.00 H new ATOM 235 N ALA A 25 -2.744 -2.376 5.846 1.00 0.00 N ATOM 236 CA ALA A 25 -3.702 -1.295 5.771 1.00 0.00 C ATOM 237 C ALA A 25 -4.324 -1.067 7.128 1.00 0.00 C ATOM 238 O ALA A 25 -4.199 -1.899 8.020 1.00 0.00 O ATOM 239 CB ALA A 25 -4.768 -1.592 4.723 1.00 0.00 C ATOM 0 H ALA A 25 -3.049 -3.163 6.419 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.185 -0.384 5.468 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.479 -0.766 4.683 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.296 -1.712 3.748 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.293 -2.510 4.988 1.00 0.00 H new ATOM 245 N ILE A 26 -4.946 0.079 7.299 1.00 0.00 N ATOM 246 CA ILE A 26 -5.612 0.398 8.543 1.00 0.00 C ATOM 247 C ILE A 26 -6.612 1.527 8.349 1.00 0.00 C ATOM 248 O ILE A 26 -6.297 2.562 7.771 1.00 0.00 O ATOM 249 CB ILE A 26 -4.605 0.761 9.640 1.00 0.00 C ATOM 250 CG1 ILE A 26 -5.342 1.212 10.894 1.00 0.00 C ATOM 251 CG2 ILE A 26 -3.643 1.837 9.169 1.00 0.00 C ATOM 252 CD1 ILE A 26 -4.435 1.346 12.072 1.00 0.00 C ATOM 0 H ILE A 26 -5.005 0.809 6.589 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.152 -0.493 8.862 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.018 -0.127 9.874 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -5.827 2.169 10.702 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -6.130 0.496 11.126 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.941 2.073 9.969 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.094 1.478 8.298 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.202 2.733 8.901 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -5.010 1.670 12.939 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.970 0.383 12.284 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.662 2.083 11.854 1.00 0.00 H new ATOM 264 N LEU A 27 -7.815 1.319 8.839 1.00 0.00 N ATOM 265 CA LEU A 27 -8.884 2.282 8.679 1.00 0.00 C ATOM 266 C LEU A 27 -8.900 3.302 9.790 1.00 0.00 C ATOM 267 O LEU A 27 -8.362 3.090 10.873 1.00 0.00 O ATOM 268 CB LEU A 27 -10.238 1.600 8.600 1.00 0.00 C ATOM 269 CG LEU A 27 -10.569 0.995 7.246 1.00 0.00 C ATOM 270 CD1 LEU A 27 -11.933 0.368 7.283 1.00 0.00 C ATOM 271 CD2 LEU A 27 -10.550 2.048 6.160 1.00 0.00 C ATOM 0 H LEU A 27 -8.079 0.481 9.357 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.690 2.800 7.740 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -10.277 0.813 9.353 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.010 2.325 8.857 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.813 0.241 7.026 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.162 -0.063 6.308 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.953 -0.416 8.040 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.676 1.127 7.527 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -10.790 1.587 5.202 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -11.287 2.818 6.387 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.559 2.499 6.107 1.00 0.00 H new ATOM 283 N SER A 28 -9.476 4.435 9.474 1.00 0.00 N ATOM 284 CA SER A 28 -9.622 5.524 10.414 1.00 0.00 C ATOM 285 C SER A 28 -10.960 6.203 10.188 1.00 0.00 C ATOM 286 O SER A 28 -11.483 6.192 9.074 1.00 0.00 O ATOM 287 CB SER A 28 -8.472 6.516 10.267 1.00 0.00 C ATOM 288 OG SER A 28 -7.248 5.919 10.662 1.00 0.00 O ATOM 0 H SER A 28 -9.861 4.631 8.550 1.00 0.00 H new ATOM 0 HA SER A 28 -9.591 5.133 11.431 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.403 6.851 9.232 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.666 7.399 10.876 1.00 0.00 H new ATOM 0 HG SER A 28 -6.667 6.599 11.063 1.00 0.00 H new ATOM 334 N GLU B 15 10.128 -2.175 12.687 1.00 0.00 N ATOM 335 CA GLU B 15 9.148 -1.182 13.092 1.00 0.00 C ATOM 336 C GLU B 15 8.001 -1.151 12.089 1.00 0.00 C ATOM 337 O GLU B 15 8.187 -1.465 10.914 1.00 0.00 O ATOM 338 CB GLU B 15 9.794 0.205 13.204 1.00 0.00 C ATOM 339 CG GLU B 15 10.252 0.787 11.876 1.00 0.00 C ATOM 340 CD GLU B 15 10.880 2.157 12.030 1.00 0.00 C ATOM 341 OE1 GLU B 15 10.159 3.115 12.385 1.00 0.00 O ATOM 342 OE2 GLU B 15 12.102 2.286 11.803 1.00 0.00 O ATOM 0 HA GLU B 15 8.759 -1.455 14.073 1.00 0.00 H new ATOM 0 HB2 GLU B 15 9.080 0.890 13.662 1.00 0.00 H new ATOM 0 HB3 GLU B 15 10.651 0.142 13.875 1.00 0.00 H new ATOM 0 HG2 GLU B 15 10.972 0.110 11.415 1.00 0.00 H new ATOM 0 HG3 GLU B 15 9.400 0.855 11.199 1.00 0.00 H new ATOM 349 N ILE B 16 6.814 -0.817 12.559 1.00 0.00 N ATOM 350 CA ILE B 16 5.674 -0.655 11.679 1.00 0.00 C ATOM 351 C ILE B 16 5.460 0.813 11.368 1.00 0.00 C ATOM 352 O ILE B 16 5.077 1.595 12.238 1.00 0.00 O ATOM 353 CB ILE B 16 4.400 -1.245 12.297 1.00 0.00 C ATOM 354 CG1 ILE B 16 4.607 -2.735 12.548 1.00 0.00 C ATOM 355 CG2 ILE B 16 3.199 -1.006 11.388 1.00 0.00 C ATOM 356 CD1 ILE B 16 3.474 -3.389 13.290 1.00 0.00 C ATOM 0 H ILE B 16 6.615 -0.653 13.546 1.00 0.00 H new ATOM 0 HA ILE B 16 5.886 -1.196 10.757 1.00 0.00 H new ATOM 0 HB ILE B 16 4.197 -0.749 13.246 1.00 0.00 H new ATOM 0 HG12 ILE B 16 4.742 -3.240 11.591 1.00 0.00 H new ATOM 0 HG13 ILE B 16 5.528 -2.874 13.114 1.00 0.00 H new ATOM 0 HG21 ILE B 16 2.306 -1.432 11.845 1.00 0.00 H new ATOM 0 HG22 ILE B 16 3.058 0.065 11.246 1.00 0.00 H new ATOM 0 HG23 ILE B 16 3.374 -1.480 10.422 1.00 0.00 H new ATOM 0 HD11 ILE B 16 3.694 -4.447 13.431 1.00 0.00 H new ATOM 0 HD12 ILE B 16 3.352 -2.911 14.262 1.00 0.00 H new ATOM 0 HD13 ILE B 16 2.554 -3.283 12.716 1.00 0.00 H new ATOM 368 N VAL B 17 5.719 1.183 10.128 1.00 0.00 N ATOM 369 CA VAL B 17 5.583 2.564 9.718 1.00 0.00 C ATOM 370 C VAL B 17 4.266 2.812 9.014 1.00 0.00 C ATOM 371 O VAL B 17 3.914 2.133 8.057 1.00 0.00 O ATOM 372 CB VAL B 17 6.740 3.036 8.822 1.00 0.00 C ATOM 373 CG1 VAL B 17 7.941 3.406 9.675 1.00 0.00 C ATOM 374 CG2 VAL B 17 7.124 1.988 7.800 1.00 0.00 C ATOM 0 H VAL B 17 6.024 0.547 9.391 1.00 0.00 H new ATOM 0 HA VAL B 17 5.611 3.147 10.639 1.00 0.00 H new ATOM 0 HB VAL B 17 6.400 3.916 8.276 1.00 0.00 H new ATOM 0 HG11 VAL B 17 8.755 3.739 9.032 1.00 0.00 H new ATOM 0 HG12 VAL B 17 7.668 4.209 10.359 1.00 0.00 H new ATOM 0 HG13 VAL B 17 8.263 2.536 10.247 1.00 0.00 H new ATOM 0 HG21 VAL B 17 7.945 2.361 7.187 1.00 0.00 H new ATOM 0 HG22 VAL B 17 7.438 1.078 8.312 1.00 0.00 H new ATOM 0 HG23 VAL B 17 6.267 1.769 7.164 1.00 0.00 H new ATOM 384 N TYR B 18 3.541 3.780 9.527 1.00 0.00 N ATOM 385 CA TYR B 18 2.289 4.216 8.939 1.00 0.00 C ATOM 386 C TYR B 18 2.554 5.294 7.904 1.00 0.00 C ATOM 387 O TYR B 18 3.079 6.355 8.236 1.00 0.00 O ATOM 388 CB TYR B 18 1.353 4.788 10.010 1.00 0.00 C ATOM 389 CG TYR B 18 0.903 3.800 11.064 1.00 0.00 C ATOM 390 CD1 TYR B 18 1.735 3.451 12.119 1.00 0.00 C ATOM 391 CD2 TYR B 18 -0.364 3.237 11.015 1.00 0.00 C ATOM 392 CE1 TYR B 18 1.318 2.565 13.092 1.00 0.00 C ATOM 393 CE2 TYR B 18 -0.789 2.353 11.980 1.00 0.00 C ATOM 394 CZ TYR B 18 0.055 2.018 13.020 1.00 0.00 C ATOM 395 OH TYR B 18 -0.361 1.133 13.988 1.00 0.00 O ATOM 0 H TYR B 18 3.803 4.292 10.369 1.00 0.00 H new ATOM 0 HA TYR B 18 1.817 3.351 8.473 1.00 0.00 H new ATOM 0 HB2 TYR B 18 1.857 5.619 10.504 1.00 0.00 H new ATOM 0 HB3 TYR B 18 0.471 5.198 9.518 1.00 0.00 H new ATOM 0 HD1 TYR B 18 2.724 3.880 12.180 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -1.029 3.497 10.205 1.00 0.00 H new ATOM 0 HE1 TYR B 18 1.978 2.302 13.905 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -1.778 1.923 11.924 1.00 0.00 H new ATOM 0 HH TYR B 18 -1.276 0.840 13.792 1.00 0.00 H new ATOM 405 N LEU B 19 2.236 5.015 6.649 1.00 0.00 N ATOM 406 CA LEU B 19 2.273 6.034 5.620 1.00 0.00 C ATOM 407 C LEU B 19 0.848 6.442 5.251 1.00 0.00 C ATOM 408 O LEU B 19 0.247 5.881 4.334 1.00 0.00 O ATOM 409 CB LEU B 19 3.011 5.519 4.378 1.00 0.00 C ATOM 410 CG LEU B 19 4.446 5.087 4.573 1.00 0.00 C ATOM 411 CD1 LEU B 19 5.149 6.112 5.396 1.00 0.00 C ATOM 412 CD2 LEU B 19 4.543 3.701 5.197 1.00 0.00 C ATOM 0 H LEU B 19 1.950 4.092 6.322 1.00 0.00 H new ATOM 0 HA LEU B 19 2.810 6.902 6.003 1.00 0.00 H new ATOM 0 HB2 LEU B 19 2.453 4.674 3.976 1.00 0.00 H new ATOM 0 HB3 LEU B 19 2.991 6.303 3.621 1.00 0.00 H new ATOM 0 HG LEU B 19 4.930 5.013 3.599 1.00 0.00 H new ATOM 0 HD11 LEU B 19 6.186 5.811 5.544 1.00 0.00 H new ATOM 0 HD12 LEU B 19 5.119 7.073 4.883 1.00 0.00 H new ATOM 0 HD13 LEU B 19 4.656 6.202 6.364 1.00 0.00 H new ATOM 0 HD21 LEU B 19 5.592 3.430 5.319 1.00 0.00 H new ATOM 0 HD22 LEU B 19 4.053 3.705 6.171 1.00 0.00 H new ATOM 0 HD23 LEU B 19 4.054 2.975 4.548 1.00 0.00 H new ATOM 424 N PRO B 20 0.278 7.418 5.975 1.00 0.00 N ATOM 425 CA PRO B 20 -1.088 7.883 5.759 1.00 0.00 C ATOM 426 C PRO B 20 -1.187 9.020 4.746 1.00 0.00 C ATOM 427 O PRO B 20 -2.193 9.161 4.057 1.00 0.00 O ATOM 428 CB PRO B 20 -1.512 8.389 7.148 1.00 0.00 C ATOM 429 CG PRO B 20 -0.299 8.282 8.026 1.00 0.00 C ATOM 430 CD PRO B 20 0.881 8.109 7.114 1.00 0.00 C ATOM 0 HA PRO B 20 -1.714 7.089 5.352 1.00 0.00 H new ATOM 0 HB2 PRO B 20 -1.864 9.419 7.095 1.00 0.00 H new ATOM 0 HB3 PRO B 20 -2.333 7.792 7.545 1.00 0.00 H new ATOM 0 HG2 PRO B 20 -0.186 9.176 8.640 1.00 0.00 H new ATOM 0 HG3 PRO B 20 -0.388 7.436 8.708 1.00 0.00 H new ATOM 0 HD2 PRO B 20 1.320 9.065 6.827 1.00 0.00 H new ATOM 0 HD3 PRO B 20 1.673 7.521 7.577 1.00 0.00 H new ATOM 438 N ASN B 21 -0.136 9.822 4.649 1.00 0.00 N ATOM 439 CA ASN B 21 -0.186 11.040 3.845 1.00 0.00 C ATOM 440 C ASN B 21 0.289 10.782 2.420 1.00 0.00 C ATOM 441 O ASN B 21 0.460 11.714 1.634 1.00 0.00 O ATOM 442 CB ASN B 21 0.666 12.141 4.480 1.00 0.00 C ATOM 443 CG ASN B 21 0.189 13.532 4.105 1.00 0.00 C ATOM 444 OD1 ASN B 21 -0.997 13.749 3.856 1.00 0.00 O ATOM 445 ND2 ASN B 21 1.108 14.483 4.073 1.00 0.00 N ATOM 0 H ASN B 21 0.757 9.655 5.113 1.00 0.00 H new ATOM 0 HA ASN B 21 -1.225 11.367 3.810 1.00 0.00 H new ATOM 0 HB2 ASN B 21 0.645 12.033 5.564 1.00 0.00 H new ATOM 0 HB3 ASN B 21 1.703 12.019 4.168 1.00 0.00 H new ATOM 0 HD21 ASN B 21 0.844 15.439 3.835 1.00 0.00 H new ATOM 0 HD22 ASN B 21 2.080 14.260 4.286 1.00 0.00 H new ATOM 452 N LEU B 22 0.499 9.518 2.089 1.00 0.00 N ATOM 453 CA LEU B 22 0.934 9.155 0.751 1.00 0.00 C ATOM 454 C LEU B 22 -0.198 9.327 -0.240 1.00 0.00 C ATOM 455 O LEU B 22 -1.374 9.269 0.120 1.00 0.00 O ATOM 456 CB LEU B 22 1.421 7.709 0.697 1.00 0.00 C ATOM 457 CG LEU B 22 2.713 7.417 1.452 1.00 0.00 C ATOM 458 CD1 LEU B 22 3.152 5.986 1.208 1.00 0.00 C ATOM 459 CD2 LEU B 22 3.811 8.364 1.038 1.00 0.00 C ATOM 0 H LEU B 22 0.376 8.730 2.725 1.00 0.00 H new ATOM 0 HA LEU B 22 1.759 9.817 0.489 1.00 0.00 H new ATOM 0 HB2 LEU B 22 0.636 7.066 1.095 1.00 0.00 H new ATOM 0 HB3 LEU B 22 1.562 7.431 -0.348 1.00 0.00 H new ATOM 0 HG LEU B 22 2.519 7.559 2.515 1.00 0.00 H new ATOM 0 HD11 LEU B 22 4.076 5.791 1.753 1.00 0.00 H new ATOM 0 HD12 LEU B 22 2.376 5.303 1.554 1.00 0.00 H new ATOM 0 HD13 LEU B 22 3.321 5.834 0.142 1.00 0.00 H new ATOM 0 HD21 LEU B 22 4.720 8.132 1.593 1.00 0.00 H new ATOM 0 HD22 LEU B 22 4.000 8.257 -0.030 1.00 0.00 H new ATOM 0 HD23 LEU B 22 3.507 9.389 1.252 1.00 0.00 H new ATOM 471 N ASN B 23 0.165 9.541 -1.486 1.00 0.00 N ATOM 472 CA ASN B 23 -0.821 9.649 -2.548 1.00 0.00 C ATOM 473 C ASN B 23 -1.111 8.271 -3.112 1.00 0.00 C ATOM 474 O ASN B 23 -0.249 7.395 -3.045 1.00 0.00 O ATOM 475 CB ASN B 23 -0.335 10.585 -3.659 1.00 0.00 C ATOM 476 CG ASN B 23 -0.151 12.004 -3.170 1.00 0.00 C ATOM 477 OD1 ASN B 23 -0.822 12.443 -2.239 1.00 0.00 O ATOM 478 ND2 ASN B 23 0.758 12.732 -3.792 1.00 0.00 N ATOM 0 H ASN B 23 1.133 9.644 -1.792 1.00 0.00 H new ATOM 0 HA ASN B 23 -1.736 10.071 -2.132 1.00 0.00 H new ATOM 0 HB2 ASN B 23 0.610 10.214 -4.057 1.00 0.00 H new ATOM 0 HB3 ASN B 23 -1.052 10.575 -4.480 1.00 0.00 H new ATOM 0 HD21 ASN B 23 0.924 13.696 -3.504 1.00 0.00 H new ATOM 0 HD22 ASN B 23 1.294 12.330 -4.561 1.00 0.00 H new ATOM 485 N PRO B 24 -2.322 8.048 -3.650 1.00 0.00 N ATOM 486 CA PRO B 24 -2.719 6.747 -4.199 1.00 0.00 C ATOM 487 C PRO B 24 -1.645 6.133 -5.094 1.00 0.00 C ATOM 488 O PRO B 24 -1.222 4.993 -4.885 1.00 0.00 O ATOM 489 CB PRO B 24 -3.969 7.078 -5.011 1.00 0.00 C ATOM 490 CG PRO B 24 -4.562 8.255 -4.318 1.00 0.00 C ATOM 491 CD PRO B 24 -3.406 9.045 -3.761 1.00 0.00 C ATOM 0 HA PRO B 24 -2.883 6.007 -3.415 1.00 0.00 H new ATOM 0 HB2 PRO B 24 -3.720 7.311 -6.046 1.00 0.00 H new ATOM 0 HB3 PRO B 24 -4.663 6.238 -5.031 1.00 0.00 H new ATOM 0 HG2 PRO B 24 -5.148 8.859 -5.010 1.00 0.00 H new ATOM 0 HG3 PRO B 24 -5.236 7.939 -3.522 1.00 0.00 H new ATOM 0 HD2 PRO B 24 -3.128 9.867 -4.421 1.00 0.00 H new ATOM 0 HD3 PRO B 24 -3.649 9.482 -2.792 1.00 0.00 H new ATOM 499 N ASP B 25 -1.174 6.912 -6.060 1.00 0.00 N ATOM 500 CA ASP B 25 -0.184 6.431 -7.020 1.00 0.00 C ATOM 501 C ASP B 25 1.185 6.268 -6.371 1.00 0.00 C ATOM 502 O ASP B 25 2.016 5.501 -6.854 1.00 0.00 O ATOM 503 CB ASP B 25 -0.081 7.373 -8.220 1.00 0.00 C ATOM 504 CG ASP B 25 -1.345 7.391 -9.052 1.00 0.00 C ATOM 505 OD1 ASP B 25 -1.653 6.367 -9.697 1.00 0.00 O ATOM 506 OD2 ASP B 25 -2.034 8.432 -9.072 1.00 0.00 O ATOM 0 H ASP B 25 -1.461 7.881 -6.201 1.00 0.00 H new ATOM 0 HA ASP B 25 -0.520 5.454 -7.368 1.00 0.00 H new ATOM 0 HB2 ASP B 25 0.133 8.382 -7.868 1.00 0.00 H new ATOM 0 HB3 ASP B 25 0.758 7.069 -8.846 1.00 0.00 H new ATOM 511 N GLN B 26 1.421 6.985 -5.281 1.00 0.00 N ATOM 512 CA GLN B 26 2.676 6.868 -4.555 1.00 0.00 C ATOM 513 C GLN B 26 2.731 5.566 -3.774 1.00 0.00 C ATOM 514 O GLN B 26 3.803 5.002 -3.581 1.00 0.00 O ATOM 515 CB GLN B 26 2.875 8.062 -3.631 1.00 0.00 C ATOM 516 CG GLN B 26 3.142 9.348 -4.388 1.00 0.00 C ATOM 517 CD GLN B 26 4.548 9.429 -4.950 1.00 0.00 C ATOM 518 OE1 GLN B 26 5.147 8.417 -5.314 1.00 0.00 O ATOM 519 NE2 GLN B 26 5.088 10.635 -5.018 1.00 0.00 N ATOM 0 H GLN B 26 0.761 7.652 -4.881 1.00 0.00 H new ATOM 0 HA GLN B 26 3.489 6.859 -5.281 1.00 0.00 H new ATOM 0 HB2 GLN B 26 1.988 8.188 -3.010 1.00 0.00 H new ATOM 0 HB3 GLN B 26 3.709 7.861 -2.958 1.00 0.00 H new ATOM 0 HG2 GLN B 26 2.426 9.437 -5.205 1.00 0.00 H new ATOM 0 HG3 GLN B 26 2.974 10.195 -3.723 1.00 0.00 H new ATOM 0 HE21 GLN B 26 4.559 11.449 -4.706 1.00 0.00 H new ATOM 0 HE22 GLN B 26 6.034 10.751 -5.382 1.00 0.00 H new ATOM 528 N LEU B 27 1.577 5.086 -3.322 1.00 0.00 N ATOM 529 CA LEU B 27 1.500 3.753 -2.747 1.00 0.00 C ATOM 530 C LEU B 27 1.864 2.734 -3.810 1.00 0.00 C ATOM 531 O LEU B 27 2.660 1.831 -3.570 1.00 0.00 O ATOM 532 CB LEU B 27 0.103 3.460 -2.195 1.00 0.00 C ATOM 533 CG LEU B 27 -0.302 4.291 -0.986 1.00 0.00 C ATOM 534 CD1 LEU B 27 -1.753 4.037 -0.636 1.00 0.00 C ATOM 535 CD2 LEU B 27 0.588 3.953 0.188 1.00 0.00 C ATOM 0 H LEU B 27 0.693 5.595 -3.343 1.00 0.00 H new ATOM 0 HA LEU B 27 2.201 3.692 -1.915 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -0.626 3.623 -2.989 1.00 0.00 H new ATOM 0 HB3 LEU B 27 0.050 2.405 -1.925 1.00 0.00 H new ATOM 0 HG LEU B 27 -0.185 5.348 -1.227 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -2.029 4.638 0.231 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -2.384 4.309 -1.482 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -1.892 2.981 -0.404 1.00 0.00 H new ATOM 0 HD21 LEU B 27 0.294 4.550 1.051 1.00 0.00 H new ATOM 0 HD22 LEU B 27 0.487 2.895 0.428 1.00 0.00 H new ATOM 0 HD23 LEU B 27 1.625 4.170 -0.067 1.00 0.00 H new ATOM 547 N CYS B 28 1.289 2.909 -4.993 1.00 0.00 N ATOM 548 CA CYS B 28 1.630 2.082 -6.142 1.00 0.00 C ATOM 549 C CYS B 28 3.132 2.146 -6.403 1.00 0.00 C ATOM 550 O CYS B 28 3.787 1.122 -6.567 1.00 0.00 O ATOM 551 CB CYS B 28 0.868 2.564 -7.376 1.00 0.00 C ATOM 552 SG CYS B 28 -0.924 2.760 -7.113 1.00 0.00 S ATOM 0 H CYS B 28 0.582 3.619 -5.182 1.00 0.00 H new ATOM 0 HA CYS B 28 1.349 1.050 -5.931 1.00 0.00 H new ATOM 0 HB2 CYS B 28 1.284 3.519 -7.697 1.00 0.00 H new ATOM 0 HB3 CYS B 28 1.030 1.857 -8.189 1.00 0.00 H new ATOM 557 N ALA B 29 3.667 3.364 -6.401 1.00 0.00 N ATOM 558 CA ALA B 29 5.086 3.599 -6.638 1.00 0.00 C ATOM 559 C ALA B 29 5.949 2.894 -5.594 1.00 0.00 C ATOM 560 O ALA B 29 6.923 2.218 -5.930 1.00 0.00 O ATOM 561 CB ALA B 29 5.368 5.098 -6.636 1.00 0.00 C ATOM 0 H ALA B 29 3.129 4.214 -6.235 1.00 0.00 H new ATOM 0 HA ALA B 29 5.343 3.185 -7.613 1.00 0.00 H new ATOM 0 HB1 ALA B 29 6.430 5.269 -6.813 1.00 0.00 H new ATOM 0 HB2 ALA B 29 4.787 5.579 -7.423 1.00 0.00 H new ATOM 0 HB3 ALA B 29 5.089 5.519 -5.670 1.00 0.00 H new ATOM 567 N PHE B 30 5.576 3.045 -4.331 1.00 0.00 N ATOM 568 CA PHE B 30 6.318 2.461 -3.225 1.00 0.00 C ATOM 569 C PHE B 30 6.245 0.934 -3.255 1.00 0.00 C ATOM 570 O PHE B 30 7.269 0.255 -3.164 1.00 0.00 O ATOM 571 CB PHE B 30 5.772 3.029 -1.906 1.00 0.00 C ATOM 572 CG PHE B 30 5.905 2.122 -0.720 1.00 0.00 C ATOM 573 CD1 PHE B 30 7.140 1.860 -0.153 1.00 0.00 C ATOM 574 CD2 PHE B 30 4.779 1.536 -0.169 1.00 0.00 C ATOM 575 CE1 PHE B 30 7.247 1.027 0.944 1.00 0.00 C ATOM 576 CE2 PHE B 30 4.880 0.702 0.926 1.00 0.00 C ATOM 577 CZ PHE B 30 6.118 0.447 1.483 1.00 0.00 C ATOM 0 H PHE B 30 4.752 3.575 -4.046 1.00 0.00 H new ATOM 0 HA PHE B 30 7.372 2.723 -3.315 1.00 0.00 H new ATOM 0 HB2 PHE B 30 6.289 3.964 -1.689 1.00 0.00 H new ATOM 0 HB3 PHE B 30 4.718 3.272 -2.042 1.00 0.00 H new ATOM 0 HD1 PHE B 30 8.028 2.311 -0.572 1.00 0.00 H new ATOM 0 HD2 PHE B 30 3.809 1.734 -0.601 1.00 0.00 H new ATOM 0 HE1 PHE B 30 8.215 0.830 1.380 1.00 0.00 H new ATOM 0 HE2 PHE B 30 3.994 0.250 1.346 1.00 0.00 H new ATOM 0 HZ PHE B 30 6.202 -0.206 2.339 1.00 0.00 H new ATOM 587 N ILE B 31 5.043 0.402 -3.412 1.00 0.00 N ATOM 588 CA ILE B 31 4.836 -1.041 -3.414 1.00 0.00 C ATOM 589 C ILE B 31 5.479 -1.684 -4.637 1.00 0.00 C ATOM 590 O ILE B 31 6.048 -2.776 -4.558 1.00 0.00 O ATOM 591 CB ILE B 31 3.332 -1.375 -3.347 1.00 0.00 C ATOM 592 CG1 ILE B 31 2.758 -0.847 -2.030 1.00 0.00 C ATOM 593 CG2 ILE B 31 3.100 -2.877 -3.474 1.00 0.00 C ATOM 594 CD1 ILE B 31 1.253 -0.724 -2.021 1.00 0.00 C ATOM 0 H ILE B 31 4.192 0.949 -3.540 1.00 0.00 H new ATOM 0 HA ILE B 31 5.318 -1.452 -2.527 1.00 0.00 H new ATOM 0 HB ILE B 31 2.822 -0.894 -4.182 1.00 0.00 H new ATOM 0 HG12 ILE B 31 3.063 -1.511 -1.221 1.00 0.00 H new ATOM 0 HG13 ILE B 31 3.193 0.130 -1.822 1.00 0.00 H new ATOM 0 HG21 ILE B 31 2.031 -3.086 -3.424 1.00 0.00 H new ATOM 0 HG22 ILE B 31 3.493 -3.226 -4.429 1.00 0.00 H new ATOM 0 HG23 ILE B 31 3.609 -3.394 -2.661 1.00 0.00 H new ATOM 0 HD11 ILE B 31 0.925 -0.344 -1.054 1.00 0.00 H new ATOM 0 HD12 ILE B 31 0.939 -0.037 -2.807 1.00 0.00 H new ATOM 0 HD13 ILE B 31 0.807 -1.703 -2.196 1.00 0.00 H new ATOM 606 N HIS B 32 5.411 -0.982 -5.753 1.00 0.00 N ATOM 607 CA HIS B 32 6.049 -1.430 -6.986 1.00 0.00 C ATOM 608 C HIS B 32 7.551 -1.551 -6.765 1.00 0.00 C ATOM 609 O HIS B 32 8.177 -2.501 -7.219 1.00 0.00 O ATOM 610 CB HIS B 32 5.760 -0.445 -8.130 1.00 0.00 C ATOM 611 CG HIS B 32 6.202 -0.913 -9.487 1.00 0.00 C ATOM 612 ND1 HIS B 32 5.320 -1.344 -10.454 1.00 0.00 N ATOM 613 CD2 HIS B 32 7.434 -0.998 -10.045 1.00 0.00 C ATOM 614 CE1 HIS B 32 5.987 -1.675 -11.543 1.00 0.00 C ATOM 615 NE2 HIS B 32 7.273 -1.474 -11.323 1.00 0.00 N ATOM 0 H HIS B 32 4.918 -0.093 -5.835 1.00 0.00 H new ATOM 0 HA HIS B 32 5.644 -2.404 -7.262 1.00 0.00 H new ATOM 0 HB2 HIS B 32 4.688 -0.248 -8.160 1.00 0.00 H new ATOM 0 HB3 HIS B 32 6.252 0.502 -7.909 1.00 0.00 H new ATOM 0 HD2 HIS B 32 8.370 -0.739 -9.572 1.00 0.00 H new ATOM 0 HE1 HIS B 32 5.554 -2.047 -12.460 1.00 0.00 H new ATOM 0 HE2 HIS B 32 8.024 -1.644 -11.992 1.00 0.00 H new ATOM 624 N SER B 33 8.109 -0.593 -6.039 1.00 0.00 N ATOM 625 CA SER B 33 9.537 -0.565 -5.775 1.00 0.00 C ATOM 626 C SER B 33 9.951 -1.690 -4.825 1.00 0.00 C ATOM 627 O SER B 33 11.036 -2.245 -4.958 1.00 0.00 O ATOM 628 CB SER B 33 9.933 0.795 -5.205 1.00 0.00 C ATOM 629 OG SER B 33 9.580 1.837 -6.100 1.00 0.00 O ATOM 0 H SER B 33 7.589 0.179 -5.621 1.00 0.00 H new ATOM 0 HA SER B 33 10.062 -0.723 -6.717 1.00 0.00 H new ATOM 0 HB2 SER B 33 9.439 0.950 -4.246 1.00 0.00 H new ATOM 0 HB3 SER B 33 11.007 0.818 -5.018 1.00 0.00 H new ATOM 0 HG SER B 33 8.610 1.835 -6.238 1.00 0.00 H new ATOM 635 N ILE B 34 9.084 -2.028 -3.876 1.00 0.00 N ATOM 636 CA ILE B 34 9.356 -3.129 -2.952 1.00 0.00 C ATOM 637 C ILE B 34 9.357 -4.459 -3.693 1.00 0.00 C ATOM 638 O ILE B 34 10.180 -5.338 -3.430 1.00 0.00 O ATOM 639 CB ILE B 34 8.309 -3.200 -1.818 1.00 0.00 C ATOM 640 CG1 ILE B 34 8.293 -1.894 -1.018 1.00 0.00 C ATOM 641 CG2 ILE B 34 8.592 -4.385 -0.899 1.00 0.00 C ATOM 642 CD1 ILE B 34 9.607 -1.579 -0.332 1.00 0.00 C ATOM 0 H ILE B 34 8.191 -1.559 -3.725 1.00 0.00 H new ATOM 0 HA ILE B 34 10.337 -2.939 -2.515 1.00 0.00 H new ATOM 0 HB ILE B 34 7.326 -3.341 -2.268 1.00 0.00 H new ATOM 0 HG12 ILE B 34 8.037 -1.072 -1.687 1.00 0.00 H new ATOM 0 HG13 ILE B 34 7.506 -1.949 -0.266 1.00 0.00 H new ATOM 0 HG21 ILE B 34 7.844 -4.418 -0.107 1.00 0.00 H new ATOM 0 HG22 ILE B 34 8.552 -5.310 -1.475 1.00 0.00 H new ATOM 0 HG23 ILE B 34 9.583 -4.275 -0.458 1.00 0.00 H new ATOM 0 HD11 ILE B 34 9.517 -0.640 0.214 1.00 0.00 H new ATOM 0 HD12 ILE B 34 9.856 -2.380 0.364 1.00 0.00 H new ATOM 0 HD13 ILE B 34 10.395 -1.490 -1.079 1.00 0.00 H new ATOM 654 N HIS B 35 8.425 -4.599 -4.618 1.00 0.00 N ATOM 655 CA HIS B 35 8.280 -5.831 -5.375 1.00 0.00 C ATOM 656 C HIS B 35 9.347 -5.913 -6.463 1.00 0.00 C ATOM 657 O HIS B 35 9.784 -7.002 -6.844 1.00 0.00 O ATOM 658 CB HIS B 35 6.879 -5.894 -5.980 1.00 0.00 C ATOM 659 CG HIS B 35 6.444 -7.278 -6.360 1.00 0.00 C ATOM 660 ND1 HIS B 35 5.736 -8.101 -5.511 1.00 0.00 N ATOM 661 CD2 HIS B 35 6.605 -7.976 -7.508 1.00 0.00 C ATOM 662 CE1 HIS B 35 5.483 -9.244 -6.119 1.00 0.00 C ATOM 663 NE2 HIS B 35 5.999 -9.195 -7.333 1.00 0.00 N ATOM 0 H HIS B 35 7.754 -3.872 -4.865 1.00 0.00 H new ATOM 0 HA HIS B 35 8.414 -6.683 -4.709 1.00 0.00 H new ATOM 0 HB2 HIS B 35 6.166 -5.483 -5.265 1.00 0.00 H new ATOM 0 HB3 HIS B 35 6.847 -5.258 -6.864 1.00 0.00 H new ATOM 0 HD2 HIS B 35 7.116 -7.637 -8.397 1.00 0.00 H new ATOM 0 HE1 HIS B 35 4.945 -10.079 -5.695 1.00 0.00 H new ATOM 0 HE2 HIS B 35 5.955 -9.941 -8.027 1.00 0.00 H new ATOM 672 N ASP B 36 9.760 -4.753 -6.951 1.00 0.00 N ATOM 673 CA ASP B 36 10.807 -4.666 -7.962 1.00 0.00 C ATOM 674 C ASP B 36 12.176 -4.870 -7.329 1.00 0.00 C ATOM 675 O ASP B 36 13.002 -5.628 -7.841 1.00 0.00 O ATOM 676 CB ASP B 36 10.755 -3.306 -8.664 1.00 0.00 C ATOM 677 CG ASP B 36 11.814 -3.159 -9.739 1.00 0.00 C ATOM 678 OD1 ASP B 36 12.872 -2.553 -9.467 1.00 0.00 O ATOM 679 OD2 ASP B 36 11.588 -3.639 -10.868 1.00 0.00 O ATOM 0 H ASP B 36 9.383 -3.851 -6.661 1.00 0.00 H new ATOM 0 HA ASP B 36 10.640 -5.452 -8.699 1.00 0.00 H new ATOM 0 HB2 ASP B 36 9.770 -3.170 -9.110 1.00 0.00 H new ATOM 0 HB3 ASP B 36 10.882 -2.515 -7.925 1.00 0.00 H new ATOM 684 N ASP B 37 12.409 -4.201 -6.211 1.00 0.00 N ATOM 685 CA ASP B 37 13.672 -4.313 -5.508 1.00 0.00 C ATOM 686 C ASP B 37 13.431 -4.623 -4.032 1.00 0.00 C ATOM 687 O ASP B 37 13.308 -3.719 -3.204 1.00 0.00 O ATOM 688 CB ASP B 37 14.477 -3.020 -5.644 1.00 0.00 C ATOM 689 CG ASP B 37 15.940 -3.219 -5.312 1.00 0.00 C ATOM 690 OD1 ASP B 37 16.793 -2.651 -6.027 1.00 0.00 O ATOM 691 OD2 ASP B 37 16.251 -3.965 -4.356 1.00 0.00 O ATOM 0 H ASP B 37 11.736 -3.573 -5.772 1.00 0.00 H new ATOM 0 HA ASP B 37 14.242 -5.129 -5.953 1.00 0.00 H new ATOM 0 HB2 ASP B 37 14.386 -2.643 -6.663 1.00 0.00 H new ATOM 0 HB3 ASP B 37 14.056 -2.261 -4.984 1.00 0.00 H new ATOM 696 N PRO B 38 13.365 -5.914 -3.682 1.00 0.00 N ATOM 697 CA PRO B 38 13.112 -6.346 -2.306 1.00 0.00 C ATOM 698 C PRO B 38 14.364 -6.266 -1.445 1.00 0.00 C ATOM 699 O PRO B 38 14.308 -6.396 -0.222 1.00 0.00 O ATOM 700 CB PRO B 38 12.682 -7.792 -2.489 1.00 0.00 C ATOM 701 CG PRO B 38 13.449 -8.252 -3.678 1.00 0.00 C ATOM 702 CD PRO B 38 13.531 -7.062 -4.596 1.00 0.00 C ATOM 0 HA PRO B 38 12.377 -5.723 -1.796 1.00 0.00 H new ATOM 0 HB2 PRO B 38 12.914 -8.391 -1.609 1.00 0.00 H new ATOM 0 HB3 PRO B 38 11.607 -7.870 -2.653 1.00 0.00 H new ATOM 0 HG2 PRO B 38 14.443 -8.596 -3.393 1.00 0.00 H new ATOM 0 HG3 PRO B 38 12.950 -9.089 -4.166 1.00 0.00 H new ATOM 0 HD2 PRO B 38 14.486 -7.024 -5.120 1.00 0.00 H new ATOM 0 HD3 PRO B 38 12.751 -7.086 -5.357 1.00 0.00 H new ATOM 710 N SER B 39 15.487 -6.059 -2.101 1.00 0.00 N ATOM 711 CA SER B 39 16.768 -5.954 -1.421 1.00 0.00 C ATOM 712 C SER B 39 16.961 -4.551 -0.856 1.00 0.00 C ATOM 713 O SER B 39 17.457 -4.382 0.253 1.00 0.00 O ATOM 714 CB SER B 39 17.897 -6.290 -2.394 1.00 0.00 C ATOM 715 OG SER B 39 17.606 -7.477 -3.114 1.00 0.00 O ATOM 0 H SER B 39 15.541 -5.959 -3.115 1.00 0.00 H new ATOM 0 HA SER B 39 16.785 -6.663 -0.593 1.00 0.00 H new ATOM 0 HB2 SER B 39 18.041 -5.464 -3.090 1.00 0.00 H new ATOM 0 HB3 SER B 39 18.831 -6.412 -1.846 1.00 0.00 H new ATOM 0 HG SER B 39 18.341 -7.673 -3.732 1.00 0.00 H new ATOM 721 N GLN B 40 16.561 -3.548 -1.627 1.00 0.00 N ATOM 722 CA GLN B 40 16.652 -2.164 -1.201 1.00 0.00 C ATOM 723 C GLN B 40 15.437 -1.733 -0.394 1.00 0.00 C ATOM 724 O GLN B 40 15.378 -0.590 0.040 1.00 0.00 O ATOM 725 CB GLN B 40 16.811 -1.235 -2.397 1.00 0.00 C ATOM 726 CG GLN B 40 18.034 -1.528 -3.228 1.00 0.00 C ATOM 727 CD GLN B 40 18.491 -0.328 -4.030 1.00 0.00 C ATOM 728 OE1 GLN B 40 18.307 0.816 -3.612 1.00 0.00 O ATOM 729 NE2 GLN B 40 19.092 -0.577 -5.182 1.00 0.00 N ATOM 0 H GLN B 40 16.167 -3.673 -2.559 1.00 0.00 H new ATOM 0 HA GLN B 40 17.533 -2.094 -0.563 1.00 0.00 H new ATOM 0 HB2 GLN B 40 15.926 -1.313 -3.028 1.00 0.00 H new ATOM 0 HB3 GLN B 40 16.860 -0.205 -2.043 1.00 0.00 H new ATOM 0 HG2 GLN B 40 18.843 -1.854 -2.575 1.00 0.00 H new ATOM 0 HG3 GLN B 40 17.819 -2.354 -3.906 1.00 0.00 H new ATOM 0 HE21 GLN B 40 19.224 -1.540 -5.491 1.00 0.00 H new ATOM 0 HE22 GLN B 40 19.423 0.194 -5.762 1.00 0.00 H new ATOM 738 N SER B 41 14.453 -2.624 -0.257 1.00 0.00 N ATOM 739 CA SER B 41 13.170 -2.313 0.390 1.00 0.00 C ATOM 740 C SER B 41 13.307 -1.404 1.623 1.00 0.00 C ATOM 741 O SER B 41 12.475 -0.520 1.824 1.00 0.00 O ATOM 742 CB SER B 41 12.458 -3.613 0.764 1.00 0.00 C ATOM 743 OG SER B 41 13.342 -4.506 1.416 1.00 0.00 O ATOM 0 H SER B 41 14.520 -3.585 -0.592 1.00 0.00 H new ATOM 0 HA SER B 41 12.578 -1.751 -0.333 1.00 0.00 H new ATOM 0 HB2 SER B 41 11.611 -3.394 1.415 1.00 0.00 H new ATOM 0 HB3 SER B 41 12.057 -4.083 -0.134 1.00 0.00 H new ATOM 0 HG SER B 41 13.676 -5.165 0.772 1.00 0.00 H new ATOM 749 N ALA B 42 14.354 -1.607 2.424 1.00 0.00 N ATOM 750 CA ALA B 42 14.626 -0.756 3.589 1.00 0.00 C ATOM 751 C ALA B 42 14.699 0.721 3.200 1.00 0.00 C ATOM 752 O ALA B 42 14.172 1.593 3.890 1.00 0.00 O ATOM 753 CB ALA B 42 15.929 -1.170 4.244 1.00 0.00 C ATOM 0 H ALA B 42 15.032 -2.357 2.288 1.00 0.00 H new ATOM 0 HA ALA B 42 13.803 -0.885 4.291 1.00 0.00 H new ATOM 0 HB1 ALA B 42 16.121 -0.532 5.107 1.00 0.00 H new ATOM 0 HB2 ALA B 42 15.859 -2.208 4.568 1.00 0.00 H new ATOM 0 HB3 ALA B 42 16.745 -1.067 3.528 1.00 0.00 H new ATOM 759 N ASN B 43 15.352 0.988 2.089 1.00 0.00 N ATOM 760 CA ASN B 43 15.493 2.343 1.582 1.00 0.00 C ATOM 761 C ASN B 43 14.213 2.776 0.875 1.00 0.00 C ATOM 762 O ASN B 43 13.815 3.934 0.953 1.00 0.00 O ATOM 763 CB ASN B 43 16.687 2.432 0.625 1.00 0.00 C ATOM 764 CG ASN B 43 16.930 3.838 0.098 1.00 0.00 C ATOM 765 OD1 ASN B 43 16.686 4.846 0.923 1.00 0.00 O flip ATOM 766 ND2 ASN B 43 17.368 4.014 -1.040 1.00 0.00 N flip ATOM 0 H ASN B 43 15.800 0.277 1.511 1.00 0.00 H new ATOM 0 HA ASN B 43 15.672 3.014 2.422 1.00 0.00 H new ATOM 0 HB2 ASN B 43 17.583 2.084 1.139 1.00 0.00 H new ATOM 0 HB3 ASN B 43 16.521 1.759 -0.216 1.00 0.00 H new ATOM 0 HD21 ASN B 43 17.544 3.214 -1.648 1.00 0.00 H new ATOM 0 HD22 ASN B 43 17.554 4.960 -1.374 1.00 0.00 H new ATOM 773 N LEU B 44 13.558 1.837 0.202 1.00 0.00 N ATOM 774 CA LEU B 44 12.324 2.143 -0.512 1.00 0.00 C ATOM 775 C LEU B 44 11.201 2.556 0.438 1.00 0.00 C ATOM 776 O LEU B 44 10.436 3.469 0.129 1.00 0.00 O ATOM 777 CB LEU B 44 11.866 0.968 -1.385 1.00 0.00 C ATOM 778 CG LEU B 44 12.567 0.822 -2.745 1.00 0.00 C ATOM 779 CD1 LEU B 44 12.882 2.183 -3.341 1.00 0.00 C ATOM 780 CD2 LEU B 44 13.828 -0.015 -2.641 1.00 0.00 C ATOM 0 H LEU B 44 13.858 0.864 0.136 1.00 0.00 H new ATOM 0 HA LEU B 44 12.549 2.989 -1.162 1.00 0.00 H new ATOM 0 HB2 LEU B 44 12.012 0.046 -0.823 1.00 0.00 H new ATOM 0 HB3 LEU B 44 10.795 1.068 -1.560 1.00 0.00 H new ATOM 0 HG LEU B 44 11.877 0.302 -3.409 1.00 0.00 H new ATOM 0 HD11 LEU B 44 13.378 2.053 -4.303 1.00 0.00 H new ATOM 0 HD12 LEU B 44 11.957 2.741 -3.482 1.00 0.00 H new ATOM 0 HD13 LEU B 44 13.538 2.733 -2.666 1.00 0.00 H new ATOM 0 HD21 LEU B 44 14.294 -0.094 -3.623 1.00 0.00 H new ATOM 0 HD22 LEU B 44 14.523 0.458 -1.947 1.00 0.00 H new ATOM 0 HD23 LEU B 44 13.575 -1.011 -2.278 1.00 0.00 H new ATOM 792 N LEU B 45 11.094 1.909 1.598 1.00 0.00 N ATOM 793 CA LEU B 45 10.042 2.285 2.539 1.00 0.00 C ATOM 794 C LEU B 45 10.497 3.477 3.372 1.00 0.00 C ATOM 795 O LEU B 45 9.684 4.172 3.984 1.00 0.00 O ATOM 796 CB LEU B 45 9.607 1.112 3.435 1.00 0.00 C ATOM 797 CG LEU B 45 10.313 0.984 4.786 1.00 0.00 C ATOM 798 CD1 LEU B 45 9.397 0.309 5.792 1.00 0.00 C ATOM 799 CD2 LEU B 45 11.591 0.186 4.655 1.00 0.00 C ATOM 0 H LEU B 45 11.701 1.147 1.902 1.00 0.00 H new ATOM 0 HA LEU B 45 9.163 2.568 1.960 1.00 0.00 H new ATOM 0 HB2 LEU B 45 8.536 1.201 3.617 1.00 0.00 H new ATOM 0 HB3 LEU B 45 9.760 0.186 2.882 1.00 0.00 H new ATOM 0 HG LEU B 45 10.561 1.987 5.133 1.00 0.00 H new ATOM 0 HD11 LEU B 45 9.909 0.223 6.750 1.00 0.00 H new ATOM 0 HD12 LEU B 45 8.492 0.904 5.917 1.00 0.00 H new ATOM 0 HD13 LEU B 45 9.131 -0.685 5.432 1.00 0.00 H new ATOM 0 HD21 LEU B 45 12.074 0.110 5.629 1.00 0.00 H new ATOM 0 HD22 LEU B 45 11.360 -0.813 4.285 1.00 0.00 H new ATOM 0 HD23 LEU B 45 12.262 0.685 3.956 1.00 0.00 H new ATOM 811 N ALA B 46 11.807 3.710 3.377 1.00 0.00 N ATOM 812 CA ALA B 46 12.374 4.913 3.968 1.00 0.00 C ATOM 813 C ALA B 46 11.832 6.132 3.247 1.00 0.00 C ATOM 814 O ALA B 46 11.453 7.130 3.862 1.00 0.00 O ATOM 815 CB ALA B 46 13.889 4.892 3.866 1.00 0.00 C ATOM 0 H ALA B 46 12.497 3.076 2.975 1.00 0.00 H new ATOM 0 HA ALA B 46 12.096 4.954 5.021 1.00 0.00 H new ATOM 0 HB1 ALA B 46 14.296 5.799 4.313 1.00 0.00 H new ATOM 0 HB2 ALA B 46 14.277 4.021 4.394 1.00 0.00 H new ATOM 0 HB3 ALA B 46 14.182 4.841 2.817 1.00 0.00 H new ATOM 821 N GLU B 47 11.801 6.021 1.926 1.00 0.00 N ATOM 822 CA GLU B 47 11.267 7.061 1.065 1.00 0.00 C ATOM 823 C GLU B 47 9.826 7.345 1.414 1.00 0.00 C ATOM 824 O GLU B 47 9.445 8.490 1.579 1.00 0.00 O ATOM 825 CB GLU B 47 11.351 6.625 -0.389 1.00 0.00 C ATOM 826 CG GLU B 47 12.753 6.265 -0.810 1.00 0.00 C ATOM 827 CD GLU B 47 13.681 7.461 -0.860 1.00 0.00 C ATOM 828 OE1 GLU B 47 14.261 7.824 0.186 1.00 0.00 O ATOM 829 OE2 GLU B 47 13.853 8.035 -1.954 1.00 0.00 O ATOM 0 H GLU B 47 12.147 5.204 1.422 1.00 0.00 H new ATOM 0 HA GLU B 47 11.857 7.966 1.212 1.00 0.00 H new ATOM 0 HB2 GLU B 47 10.698 5.766 -0.545 1.00 0.00 H new ATOM 0 HB3 GLU B 47 10.980 7.427 -1.026 1.00 0.00 H new ATOM 0 HG2 GLU B 47 13.157 5.527 -0.116 1.00 0.00 H new ATOM 0 HG3 GLU B 47 12.722 5.795 -1.793 1.00 0.00 H new ATOM 836 N ALA B 48 9.036 6.287 1.529 1.00 0.00 N ATOM 837 CA ALA B 48 7.622 6.412 1.866 1.00 0.00 C ATOM 838 C ALA B 48 7.423 7.273 3.115 1.00 0.00 C ATOM 839 O ALA B 48 6.523 8.112 3.163 1.00 0.00 O ATOM 840 CB ALA B 48 7.001 5.036 2.052 1.00 0.00 C ATOM 0 H ALA B 48 9.351 5.326 1.393 1.00 0.00 H new ATOM 0 HA ALA B 48 7.118 6.912 1.039 1.00 0.00 H new ATOM 0 HB1 ALA B 48 5.946 5.144 2.303 1.00 0.00 H new ATOM 0 HB2 ALA B 48 7.098 4.465 1.128 1.00 0.00 H new ATOM 0 HB3 ALA B 48 7.514 4.511 2.858 1.00 0.00 H new ATOM 846 N LYS B 49 8.293 7.077 4.107 1.00 0.00 N ATOM 847 CA LYS B 49 8.253 7.857 5.345 1.00 0.00 C ATOM 848 C LYS B 49 8.594 9.326 5.098 1.00 0.00 C ATOM 849 O LYS B 49 8.145 10.213 5.822 1.00 0.00 O ATOM 850 CB LYS B 49 9.230 7.276 6.370 1.00 0.00 C ATOM 851 CG LYS B 49 8.665 6.147 7.222 1.00 0.00 C ATOM 852 CD LYS B 49 8.015 6.671 8.503 1.00 0.00 C ATOM 853 CE LYS B 49 6.629 7.248 8.261 1.00 0.00 C ATOM 854 NZ LYS B 49 6.017 7.774 9.511 1.00 0.00 N ATOM 0 H LYS B 49 9.038 6.381 4.076 1.00 0.00 H new ATOM 0 HA LYS B 49 7.235 7.801 5.732 1.00 0.00 H new ATOM 0 HB2 LYS B 49 10.111 6.909 5.844 1.00 0.00 H new ATOM 0 HB3 LYS B 49 9.563 8.078 7.029 1.00 0.00 H new ATOM 0 HG2 LYS B 49 7.929 5.589 6.643 1.00 0.00 H new ATOM 0 HG3 LYS B 49 9.464 5.451 7.478 1.00 0.00 H new ATOM 0 HD2 LYS B 49 7.946 5.861 9.229 1.00 0.00 H new ATOM 0 HD3 LYS B 49 8.653 7.438 8.942 1.00 0.00 H new ATOM 0 HE2 LYS B 49 6.693 8.049 7.524 1.00 0.00 H new ATOM 0 HE3 LYS B 49 5.984 6.477 7.838 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 5.073 8.158 9.301 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 5.931 7.005 10.206 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 6.618 8.528 9.901 1.00 0.00 H new ATOM 868 N LYS B 50 9.403 9.578 4.085 1.00 0.00 N ATOM 869 CA LYS B 50 9.794 10.930 3.746 1.00 0.00 C ATOM 870 C LYS B 50 8.795 11.538 2.771 1.00 0.00 C ATOM 871 O LYS B 50 8.665 12.756 2.670 1.00 0.00 O ATOM 872 CB LYS B 50 11.185 10.909 3.131 1.00 0.00 C ATOM 873 CG LYS B 50 12.262 10.363 4.062 1.00 0.00 C ATOM 874 CD LYS B 50 12.336 11.133 5.375 1.00 0.00 C ATOM 875 CE LYS B 50 12.788 12.570 5.171 1.00 0.00 C ATOM 876 NZ LYS B 50 14.162 12.646 4.603 1.00 0.00 N ATOM 0 H LYS B 50 9.802 8.859 3.482 1.00 0.00 H new ATOM 0 HA LYS B 50 9.807 11.541 4.649 1.00 0.00 H new ATOM 0 HB2 LYS B 50 11.162 10.305 2.224 1.00 0.00 H new ATOM 0 HB3 LYS B 50 11.455 11.922 2.833 1.00 0.00 H new ATOM 0 HG2 LYS B 50 12.060 9.312 4.270 1.00 0.00 H new ATOM 0 HG3 LYS B 50 13.229 10.409 3.561 1.00 0.00 H new ATOM 0 HD2 LYS B 50 11.357 11.126 5.854 1.00 0.00 H new ATOM 0 HD3 LYS B 50 13.026 10.629 6.052 1.00 0.00 H new ATOM 0 HE2 LYS B 50 12.091 13.078 4.504 1.00 0.00 H new ATOM 0 HE3 LYS B 50 12.760 13.098 6.124 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 14.524 13.616 4.699 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 14.786 11.991 5.116 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 14.137 12.383 3.597 1.00 0.00 H new ATOM 890 N LEU B 51 8.102 10.671 2.051 1.00 0.00 N ATOM 891 CA LEU B 51 7.065 11.074 1.126 1.00 0.00 C ATOM 892 C LEU B 51 5.884 11.689 1.878 1.00 0.00 C ATOM 893 O LEU B 51 5.500 12.828 1.612 1.00 0.00 O ATOM 894 CB LEU B 51 6.610 9.862 0.311 1.00 0.00 C ATOM 895 CG LEU B 51 7.136 9.767 -1.126 1.00 0.00 C ATOM 896 CD1 LEU B 51 8.643 9.518 -1.164 1.00 0.00 C ATOM 897 CD2 LEU B 51 6.396 8.673 -1.883 1.00 0.00 C ATOM 0 H LEU B 51 8.247 9.662 2.095 1.00 0.00 H new ATOM 0 HA LEU B 51 7.464 11.830 0.450 1.00 0.00 H new ATOM 0 HB2 LEU B 51 6.910 8.960 0.844 1.00 0.00 H new ATOM 0 HB3 LEU B 51 5.521 9.864 0.276 1.00 0.00 H new ATOM 0 HG LEU B 51 6.952 10.725 -1.611 1.00 0.00 H new ATOM 0 HD11 LEU B 51 8.976 9.457 -2.200 1.00 0.00 H new ATOM 0 HD12 LEU B 51 9.160 10.337 -0.664 1.00 0.00 H new ATOM 0 HD13 LEU B 51 8.870 8.582 -0.654 1.00 0.00 H new ATOM 0 HD21 LEU B 51 6.777 8.614 -2.902 1.00 0.00 H new ATOM 0 HD22 LEU B 51 6.549 7.717 -1.383 1.00 0.00 H new ATOM 0 HD23 LEU B 51 5.331 8.904 -1.907 1.00 0.00 H new ATOM 909 N ASN B 52 5.324 10.945 2.837 1.00 0.00 N ATOM 910 CA ASN B 52 4.215 11.451 3.655 1.00 0.00 C ATOM 911 C ASN B 52 4.648 12.692 4.437 1.00 0.00 C ATOM 912 O ASN B 52 3.827 13.552 4.761 1.00 0.00 O ATOM 913 CB ASN B 52 3.696 10.370 4.621 1.00 0.00 C ATOM 914 CG ASN B 52 4.653 10.063 5.760 1.00 0.00 C ATOM 915 OD1 ASN B 52 5.510 9.199 5.642 1.00 0.00 O ATOM 916 ND2 ASN B 52 4.496 10.756 6.878 1.00 0.00 N ATOM 0 H ASN B 52 5.618 9.995 3.066 1.00 0.00 H new ATOM 0 HA ASN B 52 3.402 11.724 2.982 1.00 0.00 H new ATOM 0 HB2 ASN B 52 2.742 10.694 5.036 1.00 0.00 H new ATOM 0 HB3 ASN B 52 3.506 9.455 4.061 1.00 0.00 H new ATOM 0 HD21 ASN B 52 5.102 10.576 7.679 1.00 0.00 H new ATOM 0 HD22 ASN B 52 3.769 11.469 6.938 1.00 0.00 H new ATOM 923 N ASP B 53 5.942 12.780 4.718 1.00 0.00 N ATOM 924 CA ASP B 53 6.505 13.902 5.461 1.00 0.00 C ATOM 925 C ASP B 53 6.604 15.147 4.586 1.00 0.00 C ATOM 926 O ASP B 53 6.244 16.246 5.009 1.00 0.00 O ATOM 927 CB ASP B 53 7.890 13.533 5.994 1.00 0.00 C ATOM 928 CG ASP B 53 8.585 14.692 6.678 1.00 0.00 C ATOM 929 OD1 ASP B 53 8.269 14.971 7.852 1.00 0.00 O ATOM 930 OD2 ASP B 53 9.465 15.319 6.050 1.00 0.00 O ATOM 0 H ASP B 53 6.629 12.079 4.439 1.00 0.00 H new ATOM 0 HA ASP B 53 5.840 14.123 6.296 1.00 0.00 H new ATOM 0 HB2 ASP B 53 7.795 12.706 6.698 1.00 0.00 H new ATOM 0 HB3 ASP B 53 8.509 13.180 5.169 1.00 0.00 H new ATOM 935 N ALA B 54 7.083 14.969 3.363 1.00 0.00 N ATOM 936 CA ALA B 54 7.278 16.085 2.445 1.00 0.00 C ATOM 937 C ALA B 54 5.948 16.641 1.953 1.00 0.00 C ATOM 938 O ALA B 54 5.853 17.810 1.586 1.00 0.00 O ATOM 939 CB ALA B 54 8.139 15.661 1.267 1.00 0.00 C ATOM 0 H ALA B 54 7.345 14.060 2.982 1.00 0.00 H new ATOM 0 HA ALA B 54 7.791 16.877 2.991 1.00 0.00 H new ATOM 0 HB1 ALA B 54 8.274 16.506 0.592 1.00 0.00 H new ATOM 0 HB2 ALA B 54 9.111 15.326 1.629 1.00 0.00 H new ATOM 0 HB3 ALA B 54 7.650 14.846 0.734 1.00 0.00 H new ATOM 945 N GLN B 55 4.919 15.803 1.948 1.00 0.00 N ATOM 946 CA GLN B 55 3.599 16.237 1.508 1.00 0.00 C ATOM 947 C GLN B 55 2.830 16.874 2.650 1.00 0.00 C ATOM 948 O GLN B 55 1.667 17.250 2.506 1.00 0.00 O ATOM 949 CB GLN B 55 2.798 15.070 0.941 1.00 0.00 C ATOM 950 CG GLN B 55 3.478 14.353 -0.210 1.00 0.00 C ATOM 951 CD GLN B 55 2.607 13.263 -0.795 1.00 0.00 C ATOM 952 OE1 GLN B 55 1.303 13.485 -0.779 1.00 0.00 O flip ATOM 953 NE2 GLN B 55 3.100 12.239 -1.270 1.00 0.00 N flip ATOM 0 H GLN B 55 4.971 14.827 2.241 1.00 0.00 H new ATOM 0 HA GLN B 55 3.745 16.978 0.722 1.00 0.00 H new ATOM 0 HB2 GLN B 55 2.606 14.353 1.739 1.00 0.00 H new ATOM 0 HB3 GLN B 55 1.829 15.438 0.604 1.00 0.00 H new ATOM 0 HG2 GLN B 55 3.728 15.074 -0.989 1.00 0.00 H new ATOM 0 HG3 GLN B 55 4.416 13.920 0.137 1.00 0.00 H new ATOM 0 HE21 GLN B 55 4.112 12.109 -1.262 1.00 0.00 H new ATOM 0 HE22 GLN B 55 2.497 11.521 -1.672 1.00 0.00 H new ATOM 962 N ALA B 56 3.483 16.970 3.786 1.00 0.00 N ATOM 963 CA ALA B 56 2.901 17.580 4.956 1.00 0.00 C ATOM 964 C ALA B 56 3.376 19.020 5.074 1.00 0.00 C ATOM 965 O ALA B 56 4.384 19.260 5.768 1.00 0.00 O ATOM 966 CB ALA B 56 3.297 16.776 6.173 1.00 0.00 C ATOM 0 H ALA B 56 4.434 16.626 3.923 1.00 0.00 H new ATOM 0 HA ALA B 56 1.814 17.589 4.877 1.00 0.00 H new ATOM 0 HB1 ALA B 56 2.863 17.228 7.065 1.00 0.00 H new ATOM 0 HB2 ALA B 56 2.931 15.754 6.069 1.00 0.00 H new ATOM 0 HB3 ALA B 56 4.383 16.765 6.264 1.00 0.00 H new ATOM 973 N GLY C 13 -13.827 0.894 11.533 1.00 0.00 N ATOM 974 CA GLY C 13 -13.237 2.249 11.448 1.00 0.00 C ATOM 975 C GLY C 13 -12.105 2.439 12.432 1.00 0.00 C ATOM 976 O GLY C 13 -12.236 3.183 13.403 1.00 0.00 O ATOM 0 HA2 GLY C 13 -12.870 2.421 10.436 1.00 0.00 H new ATOM 0 HA3 GLY C 13 -14.010 2.993 11.638 1.00 0.00 H new ATOM 980 N GLY C 14 -10.997 1.760 12.185 1.00 0.00 N ATOM 981 CA GLY C 14 -9.842 1.873 13.058 1.00 0.00 C ATOM 982 C GLY C 14 -9.167 0.542 13.288 1.00 0.00 C ATOM 983 O GLY C 14 -8.367 0.395 14.210 1.00 0.00 O ATOM 0 H GLY C 14 -10.874 1.129 11.393 1.00 0.00 H new ATOM 0 HA2 GLY C 14 -9.127 2.571 12.622 1.00 0.00 H new ATOM 0 HA3 GLY C 14 -10.152 2.291 14.016 1.00 0.00 H new ATOM 987 N GLU C 15 -9.505 -0.432 12.462 1.00 0.00 N ATOM 988 CA GLU C 15 -8.880 -1.734 12.513 1.00 0.00 C ATOM 989 C GLU C 15 -7.667 -1.792 11.604 1.00 0.00 C ATOM 990 O GLU C 15 -7.570 -1.056 10.619 1.00 0.00 O ATOM 991 CB GLU C 15 -9.869 -2.830 12.116 1.00 0.00 C ATOM 992 CG GLU C 15 -10.572 -2.615 10.786 1.00 0.00 C ATOM 993 CD GLU C 15 -11.708 -1.607 10.855 1.00 0.00 C ATOM 994 OE1 GLU C 15 -12.862 -2.019 11.081 1.00 0.00 O ATOM 995 OE2 GLU C 15 -11.458 -0.396 10.695 1.00 0.00 O ATOM 0 H GLU C 15 -10.219 -0.339 11.740 1.00 0.00 H new ATOM 0 HA GLU C 15 -8.558 -1.902 13.541 1.00 0.00 H new ATOM 0 HB2 GLU C 15 -9.337 -3.781 12.078 1.00 0.00 H new ATOM 0 HB3 GLU C 15 -10.623 -2.917 12.898 1.00 0.00 H new ATOM 0 HG2 GLU C 15 -9.843 -2.278 10.049 1.00 0.00 H new ATOM 0 HG3 GLU C 15 -10.964 -3.569 10.433 1.00 0.00 H new ATOM 1002 N ILE C 16 -6.758 -2.683 11.942 1.00 0.00 N ATOM 1003 CA ILE C 16 -5.540 -2.872 11.169 1.00 0.00 C ATOM 1004 C ILE C 16 -5.696 -4.086 10.275 1.00 0.00 C ATOM 1005 O ILE C 16 -6.000 -5.180 10.754 1.00 0.00 O ATOM 1006 CB ILE C 16 -4.305 -3.055 12.071 1.00 0.00 C ATOM 1007 CG1 ILE C 16 -4.245 -1.926 13.101 1.00 0.00 C ATOM 1008 CG2 ILE C 16 -3.037 -3.092 11.227 1.00 0.00 C ATOM 1009 CD1 ILE C 16 -2.927 -1.829 13.833 1.00 0.00 C ATOM 0 H ILE C 16 -6.838 -3.295 12.754 1.00 0.00 H new ATOM 0 HA ILE C 16 -5.383 -1.975 10.570 1.00 0.00 H new ATOM 0 HB ILE C 16 -4.384 -4.004 12.602 1.00 0.00 H new ATOM 0 HG12 ILE C 16 -4.440 -0.979 12.598 1.00 0.00 H new ATOM 0 HG13 ILE C 16 -5.043 -2.070 13.829 1.00 0.00 H new ATOM 0 HG21 ILE C 16 -2.171 -3.222 11.876 1.00 0.00 H new ATOM 0 HG22 ILE C 16 -3.092 -3.924 10.525 1.00 0.00 H new ATOM 0 HG23 ILE C 16 -2.940 -2.157 10.675 1.00 0.00 H new ATOM 0 HD11 ILE C 16 -2.966 -1.004 14.545 1.00 0.00 H new ATOM 0 HD12 ILE C 16 -2.738 -2.760 14.367 1.00 0.00 H new ATOM 0 HD13 ILE C 16 -2.125 -1.652 13.116 1.00 0.00 H new ATOM 1021 N VAL C 17 -5.492 -3.903 8.982 1.00 0.00 N ATOM 1022 CA VAL C 17 -5.801 -4.937 8.019 1.00 0.00 C ATOM 1023 C VAL C 17 -4.636 -5.141 7.049 1.00 0.00 C ATOM 1024 O VAL C 17 -4.499 -4.418 6.072 1.00 0.00 O ATOM 1025 CB VAL C 17 -7.085 -4.566 7.243 1.00 0.00 C ATOM 1026 CG1 VAL C 17 -7.427 -5.616 6.218 1.00 0.00 C ATOM 1027 CG2 VAL C 17 -8.254 -4.359 8.181 1.00 0.00 C ATOM 0 H VAL C 17 -5.113 -3.046 8.578 1.00 0.00 H new ATOM 0 HA VAL C 17 -5.965 -5.872 8.554 1.00 0.00 H new ATOM 0 HB VAL C 17 -6.887 -3.628 6.725 1.00 0.00 H new ATOM 0 HG11 VAL C 17 -8.335 -5.326 5.689 1.00 0.00 H new ATOM 0 HG12 VAL C 17 -6.607 -5.710 5.506 1.00 0.00 H new ATOM 0 HG13 VAL C 17 -7.587 -6.572 6.716 1.00 0.00 H new ATOM 0 HG21 VAL C 17 -9.142 -4.099 7.604 1.00 0.00 H new ATOM 0 HG22 VAL C 17 -8.440 -5.277 8.739 1.00 0.00 H new ATOM 0 HG23 VAL C 17 -8.024 -3.552 8.876 1.00 0.00 H new ATOM 1037 N TYR C 18 -3.791 -6.124 7.333 1.00 0.00 N ATOM 1038 CA TYR C 18 -2.606 -6.385 6.514 1.00 0.00 C ATOM 1039 C TYR C 18 -2.940 -7.206 5.272 1.00 0.00 C ATOM 1040 O TYR C 18 -3.647 -8.211 5.354 1.00 0.00 O ATOM 1041 CB TYR C 18 -1.538 -7.112 7.334 1.00 0.00 C ATOM 1042 CG TYR C 18 -0.548 -6.188 8.003 1.00 0.00 C ATOM 1043 CD1 TYR C 18 -0.897 -5.447 9.124 1.00 0.00 C ATOM 1044 CD2 TYR C 18 0.743 -6.063 7.509 1.00 0.00 C ATOM 1045 CE1 TYR C 18 0.014 -4.606 9.732 1.00 0.00 C ATOM 1046 CE2 TYR C 18 1.659 -5.224 8.111 1.00 0.00 C ATOM 1047 CZ TYR C 18 1.290 -4.500 9.221 1.00 0.00 C ATOM 1048 OH TYR C 18 2.203 -3.667 9.824 1.00 0.00 O ATOM 0 H TYR C 18 -3.902 -6.757 8.125 1.00 0.00 H new ATOM 0 HA TYR C 18 -2.223 -5.418 6.188 1.00 0.00 H new ATOM 0 HB2 TYR C 18 -2.028 -7.717 8.097 1.00 0.00 H new ATOM 0 HB3 TYR C 18 -0.997 -7.798 6.682 1.00 0.00 H new ATOM 0 HD1 TYR C 18 -1.896 -5.530 9.526 1.00 0.00 H new ATOM 0 HD2 TYR C 18 1.036 -6.632 6.639 1.00 0.00 H new ATOM 0 HE1 TYR C 18 -0.271 -4.035 10.603 1.00 0.00 H new ATOM 0 HE2 TYR C 18 2.659 -5.136 7.713 1.00 0.00 H new ATOM 0 HH TYR C 18 1.787 -3.230 10.596 1.00 0.00 H new ATOM 1058 N LEU C 19 -2.432 -6.765 4.122 1.00 0.00 N ATOM 1059 CA LEU C 19 -2.611 -7.486 2.865 1.00 0.00 C ATOM 1060 C LEU C 19 -1.301 -7.560 2.080 1.00 0.00 C ATOM 1061 O LEU C 19 -1.155 -6.913 1.044 1.00 0.00 O ATOM 1062 CB LEU C 19 -3.691 -6.831 1.993 1.00 0.00 C ATOM 1063 CG LEU C 19 -5.129 -7.048 2.445 1.00 0.00 C ATOM 1064 CD1 LEU C 19 -5.489 -6.147 3.594 1.00 0.00 C ATOM 1065 CD2 LEU C 19 -6.068 -6.802 1.303 1.00 0.00 C ATOM 0 H LEU C 19 -1.890 -5.905 4.036 1.00 0.00 H new ATOM 0 HA LEU C 19 -2.930 -8.496 3.121 1.00 0.00 H new ATOM 0 HB2 LEU C 19 -3.500 -5.759 1.955 1.00 0.00 H new ATOM 0 HB3 LEU C 19 -3.589 -7.209 0.976 1.00 0.00 H new ATOM 0 HG LEU C 19 -5.218 -8.081 2.781 1.00 0.00 H new ATOM 0 HD11 LEU C 19 -6.522 -6.330 3.890 1.00 0.00 H new ATOM 0 HD12 LEU C 19 -4.829 -6.351 4.437 1.00 0.00 H new ATOM 0 HD13 LEU C 19 -5.377 -5.106 3.289 1.00 0.00 H new ATOM 0 HD21 LEU C 19 -7.094 -6.959 1.635 1.00 0.00 H new ATOM 0 HD22 LEU C 19 -5.954 -5.776 0.952 1.00 0.00 H new ATOM 0 HD23 LEU C 19 -5.840 -7.491 0.490 1.00 0.00 H new ATOM 1077 N PRO C 20 -0.332 -8.362 2.550 1.00 0.00 N ATOM 1078 CA PRO C 20 0.953 -8.519 1.879 1.00 0.00 C ATOM 1079 C PRO C 20 0.919 -9.609 0.810 1.00 0.00 C ATOM 1080 O PRO C 20 1.956 -9.997 0.263 1.00 0.00 O ATOM 1081 CB PRO C 20 1.877 -8.914 3.027 1.00 0.00 C ATOM 1082 CG PRO C 20 1.008 -9.677 3.974 1.00 0.00 C ATOM 1083 CD PRO C 20 -0.407 -9.182 3.776 1.00 0.00 C ATOM 0 HA PRO C 20 1.263 -7.620 1.346 1.00 0.00 H new ATOM 0 HB2 PRO C 20 2.708 -9.525 2.673 1.00 0.00 H new ATOM 0 HB3 PRO C 20 2.309 -8.036 3.507 1.00 0.00 H new ATOM 0 HG2 PRO C 20 1.072 -10.747 3.779 1.00 0.00 H new ATOM 0 HG3 PRO C 20 1.330 -9.521 5.004 1.00 0.00 H new ATOM 0 HD2 PRO C 20 -1.107 -10.010 3.660 1.00 0.00 H new ATOM 0 HD3 PRO C 20 -0.747 -8.594 4.629 1.00 0.00 H new ATOM 1091 N ASN C 21 -0.278 -10.109 0.527 1.00 0.00 N ATOM 1092 CA ASN C 21 -0.462 -11.157 -0.471 1.00 0.00 C ATOM 1093 C ASN C 21 -0.863 -10.551 -1.814 1.00 0.00 C ATOM 1094 O ASN C 21 -0.691 -11.167 -2.866 1.00 0.00 O ATOM 1095 CB ASN C 21 -1.534 -12.144 0.004 1.00 0.00 C ATOM 1096 CG ASN C 21 -1.676 -13.351 -0.898 1.00 0.00 C ATOM 1097 OD1 ASN C 21 -2.446 -13.341 -1.860 1.00 0.00 O ATOM 1098 ND2 ASN C 21 -0.943 -14.407 -0.585 1.00 0.00 N ATOM 0 H ASN C 21 -1.141 -9.804 0.977 1.00 0.00 H new ATOM 0 HA ASN C 21 0.481 -11.689 -0.600 1.00 0.00 H new ATOM 0 HB2 ASN C 21 -1.289 -12.479 1.012 1.00 0.00 H new ATOM 0 HB3 ASN C 21 -2.492 -11.628 0.063 1.00 0.00 H new ATOM 0 HD21 ASN C 21 -1.003 -15.255 -1.149 1.00 0.00 H new ATOM 0 HD22 ASN C 21 -0.318 -14.373 0.220 1.00 0.00 H new ATOM 1105 N LEU C 22 -1.392 -9.335 -1.763 1.00 0.00 N ATOM 1106 CA LEU C 22 -1.845 -8.634 -2.959 1.00 0.00 C ATOM 1107 C LEU C 22 -0.694 -8.306 -3.899 1.00 0.00 C ATOM 1108 O LEU C 22 0.438 -8.081 -3.470 1.00 0.00 O ATOM 1109 CB LEU C 22 -2.559 -7.344 -2.578 1.00 0.00 C ATOM 1110 CG LEU C 22 -3.919 -7.499 -1.904 1.00 0.00 C ATOM 1111 CD1 LEU C 22 -4.453 -6.137 -1.519 1.00 0.00 C ATOM 1112 CD2 LEU C 22 -4.903 -8.204 -2.820 1.00 0.00 C ATOM 0 H LEU C 22 -1.519 -8.809 -0.898 1.00 0.00 H new ATOM 0 HA LEU C 22 -2.532 -9.302 -3.479 1.00 0.00 H new ATOM 0 HB2 LEU C 22 -1.909 -6.777 -1.911 1.00 0.00 H new ATOM 0 HB3 LEU C 22 -2.690 -6.746 -3.480 1.00 0.00 H new ATOM 0 HG LEU C 22 -3.795 -8.108 -1.008 1.00 0.00 H new ATOM 0 HD11 LEU C 22 -5.424 -6.250 -1.038 1.00 0.00 H new ATOM 0 HD12 LEU C 22 -3.760 -5.656 -0.829 1.00 0.00 H new ATOM 0 HD13 LEU C 22 -4.560 -5.522 -2.413 1.00 0.00 H new ATOM 0 HD21 LEU C 22 -5.864 -8.302 -2.315 1.00 0.00 H new ATOM 0 HD22 LEU C 22 -5.030 -7.623 -3.733 1.00 0.00 H new ATOM 0 HD23 LEU C 22 -4.522 -9.194 -3.070 1.00 0.00 H new ATOM 1124 N ASN C 23 -1.002 -8.284 -5.188 1.00 0.00 N ATOM 1125 CA ASN C 23 -0.041 -7.876 -6.200 1.00 0.00 C ATOM 1126 C ASN C 23 -0.091 -6.361 -6.332 1.00 0.00 C ATOM 1127 O ASN C 23 -1.155 -5.773 -6.128 1.00 0.00 O ATOM 1128 CB ASN C 23 -0.366 -8.498 -7.565 1.00 0.00 C ATOM 1129 CG ASN C 23 -0.929 -9.903 -7.484 1.00 0.00 C ATOM 1130 OD1 ASN C 23 -1.857 -10.205 -8.380 1.00 0.00 O flip ATOM 1131 ND2 ASN C 23 -0.545 -10.701 -6.631 1.00 0.00 N flip ATOM 0 H ASN C 23 -1.916 -8.546 -5.558 1.00 0.00 H new ATOM 0 HA ASN C 23 0.949 -8.215 -5.894 1.00 0.00 H new ATOM 0 HB2 ASN C 23 -1.082 -7.860 -8.082 1.00 0.00 H new ATOM 0 HB3 ASN C 23 0.540 -8.515 -8.170 1.00 0.00 H new ATOM 0 HD21 ASN C 23 0.172 -10.425 -5.961 1.00 0.00 H new ATOM 0 HD22 ASN C 23 -0.944 -11.639 -6.594 1.00 0.00 H new ATOM 1138 N PRO C 24 1.034 -5.711 -6.662 1.00 0.00 N ATOM 1139 CA PRO C 24 1.109 -4.246 -6.775 1.00 0.00 C ATOM 1140 C PRO C 24 -0.068 -3.629 -7.537 1.00 0.00 C ATOM 1141 O PRO C 24 -0.753 -2.751 -7.015 1.00 0.00 O ATOM 1142 CB PRO C 24 2.419 -4.032 -7.527 1.00 0.00 C ATOM 1143 CG PRO C 24 3.271 -5.174 -7.098 1.00 0.00 C ATOM 1144 CD PRO C 24 2.339 -6.346 -6.938 1.00 0.00 C ATOM 0 HA PRO C 24 1.067 -3.762 -5.799 1.00 0.00 H new ATOM 0 HB2 PRO C 24 2.265 -4.033 -8.606 1.00 0.00 H new ATOM 0 HB3 PRO C 24 2.875 -3.076 -7.271 1.00 0.00 H new ATOM 0 HG2 PRO C 24 4.042 -5.386 -7.839 1.00 0.00 H new ATOM 0 HG3 PRO C 24 3.782 -4.950 -6.161 1.00 0.00 H new ATOM 0 HD2 PRO C 24 2.305 -6.958 -7.839 1.00 0.00 H new ATOM 0 HD3 PRO C 24 2.649 -6.998 -6.121 1.00 0.00 H new ATOM 1152 N ASP C 25 -0.318 -4.100 -8.756 1.00 0.00 N ATOM 1153 CA ASP C 25 -1.400 -3.547 -9.577 1.00 0.00 C ATOM 1154 C ASP C 25 -2.761 -3.847 -8.955 1.00 0.00 C ATOM 1155 O ASP C 25 -3.623 -2.971 -8.862 1.00 0.00 O ATOM 1156 CB ASP C 25 -1.345 -4.110 -10.999 1.00 0.00 C ATOM 1157 CG ASP C 25 -2.354 -3.447 -11.920 1.00 0.00 C ATOM 1158 OD1 ASP C 25 -3.492 -3.955 -12.039 1.00 0.00 O ATOM 1159 OD2 ASP C 25 -2.013 -2.409 -12.528 1.00 0.00 O ATOM 0 H ASP C 25 0.206 -4.856 -9.197 1.00 0.00 H new ATOM 0 HA ASP C 25 -1.265 -2.466 -9.621 1.00 0.00 H new ATOM 0 HB2 ASP C 25 -0.342 -3.973 -11.403 1.00 0.00 H new ATOM 0 HB3 ASP C 25 -1.533 -5.183 -10.970 1.00 0.00 H new ATOM 1164 N GLN C 26 -2.933 -5.093 -8.531 1.00 0.00 N ATOM 1165 CA GLN C 26 -4.158 -5.556 -7.893 1.00 0.00 C ATOM 1166 C GLN C 26 -4.554 -4.666 -6.716 1.00 0.00 C ATOM 1167 O GLN C 26 -5.689 -4.198 -6.642 1.00 0.00 O ATOM 1168 CB GLN C 26 -3.981 -7.007 -7.426 1.00 0.00 C ATOM 1169 CG GLN C 26 -4.179 -8.051 -8.526 1.00 0.00 C ATOM 1170 CD GLN C 26 -3.327 -7.823 -9.762 1.00 0.00 C ATOM 1171 OE1 GLN C 26 -2.194 -7.349 -9.683 1.00 0.00 O ATOM 1172 NE2 GLN C 26 -3.874 -8.148 -10.918 1.00 0.00 N ATOM 0 H GLN C 26 -2.220 -5.816 -8.621 1.00 0.00 H new ATOM 0 HA GLN C 26 -4.962 -5.504 -8.627 1.00 0.00 H new ATOM 0 HB2 GLN C 26 -2.981 -7.122 -7.008 1.00 0.00 H new ATOM 0 HB3 GLN C 26 -4.688 -7.206 -6.621 1.00 0.00 H new ATOM 0 HG2 GLN C 26 -3.954 -9.037 -8.120 1.00 0.00 H new ATOM 0 HG3 GLN C 26 -5.229 -8.059 -8.819 1.00 0.00 H new ATOM 0 HE21 GLN C 26 -4.816 -8.539 -10.945 1.00 0.00 H new ATOM 0 HE22 GLN C 26 -3.355 -8.009 -11.785 1.00 0.00 H new ATOM 1181 N LEU C 27 -3.619 -4.415 -5.805 1.00 0.00 N ATOM 1182 CA LEU C 27 -3.915 -3.586 -4.642 1.00 0.00 C ATOM 1183 C LEU C 27 -3.987 -2.109 -5.022 1.00 0.00 C ATOM 1184 O LEU C 27 -4.685 -1.327 -4.377 1.00 0.00 O ATOM 1185 CB LEU C 27 -2.902 -3.830 -3.506 1.00 0.00 C ATOM 1186 CG LEU C 27 -1.415 -3.716 -3.864 1.00 0.00 C ATOM 1187 CD1 LEU C 27 -0.974 -2.265 -3.910 1.00 0.00 C ATOM 1188 CD2 LEU C 27 -0.567 -4.510 -2.874 1.00 0.00 C ATOM 0 H LEU C 27 -2.663 -4.768 -5.848 1.00 0.00 H new ATOM 0 HA LEU C 27 -4.897 -3.877 -4.268 1.00 0.00 H new ATOM 0 HB2 LEU C 27 -3.113 -3.121 -2.705 1.00 0.00 H new ATOM 0 HB3 LEU C 27 -3.078 -4.827 -3.103 1.00 0.00 H new ATOM 0 HG LEU C 27 -1.271 -4.138 -4.858 1.00 0.00 H new ATOM 0 HD11 LEU C 27 0.084 -2.214 -4.166 1.00 0.00 H new ATOM 0 HD12 LEU C 27 -1.555 -1.732 -4.662 1.00 0.00 H new ATOM 0 HD13 LEU C 27 -1.134 -1.805 -2.935 1.00 0.00 H new ATOM 0 HD21 LEU C 27 0.486 -4.419 -3.142 1.00 0.00 H new ATOM 0 HD22 LEU C 27 -0.721 -4.119 -1.868 1.00 0.00 H new ATOM 0 HD23 LEU C 27 -0.860 -5.560 -2.904 1.00 0.00 H new ATOM 1200 N CYS C 28 -3.286 -1.742 -6.088 1.00 0.00 N ATOM 1201 CA CYS C 28 -3.274 -0.366 -6.569 1.00 0.00 C ATOM 1202 C CYS C 28 -4.671 0.061 -6.999 1.00 0.00 C ATOM 1203 O CYS C 28 -5.082 1.204 -6.774 1.00 0.00 O ATOM 1204 CB CYS C 28 -2.299 -0.223 -7.738 1.00 0.00 C ATOM 1205 SG CYS C 28 -2.135 1.478 -8.367 1.00 0.00 S ATOM 0 H CYS C 28 -2.715 -2.383 -6.639 1.00 0.00 H new ATOM 0 HA CYS C 28 -2.947 0.281 -5.755 1.00 0.00 H new ATOM 0 HB2 CYS C 28 -1.318 -0.579 -7.424 1.00 0.00 H new ATOM 0 HB3 CYS C 28 -2.627 -0.870 -8.552 1.00 0.00 H new ATOM 1210 N ALA C 29 -5.402 -0.871 -7.605 1.00 0.00 N ATOM 1211 CA ALA C 29 -6.768 -0.619 -8.039 1.00 0.00 C ATOM 1212 C ALA C 29 -7.631 -0.175 -6.868 1.00 0.00 C ATOM 1213 O ALA C 29 -8.326 0.838 -6.943 1.00 0.00 O ATOM 1214 CB ALA C 29 -7.353 -1.866 -8.684 1.00 0.00 C ATOM 0 H ALA C 29 -5.066 -1.813 -7.806 1.00 0.00 H new ATOM 0 HA ALA C 29 -6.753 0.184 -8.776 1.00 0.00 H new ATOM 0 HB1 ALA C 29 -8.375 -1.665 -9.004 1.00 0.00 H new ATOM 0 HB2 ALA C 29 -6.750 -2.146 -9.548 1.00 0.00 H new ATOM 0 HB3 ALA C 29 -7.353 -2.683 -7.962 1.00 0.00 H new ATOM 1220 N PHE C 30 -7.552 -0.921 -5.774 1.00 0.00 N ATOM 1221 CA PHE C 30 -8.354 -0.632 -4.593 1.00 0.00 C ATOM 1222 C PHE C 30 -7.902 0.666 -3.944 1.00 0.00 C ATOM 1223 O PHE C 30 -8.721 1.436 -3.451 1.00 0.00 O ATOM 1224 CB PHE C 30 -8.270 -1.788 -3.598 1.00 0.00 C ATOM 1225 CG PHE C 30 -8.654 -3.106 -4.202 1.00 0.00 C ATOM 1226 CD1 PHE C 30 -9.885 -3.266 -4.817 1.00 0.00 C ATOM 1227 CD2 PHE C 30 -7.781 -4.179 -4.167 1.00 0.00 C ATOM 1228 CE1 PHE C 30 -10.238 -4.472 -5.385 1.00 0.00 C ATOM 1229 CE2 PHE C 30 -8.131 -5.390 -4.731 1.00 0.00 C ATOM 1230 CZ PHE C 30 -9.360 -5.536 -5.342 1.00 0.00 C ATOM 0 H PHE C 30 -6.940 -1.732 -5.680 1.00 0.00 H new ATOM 0 HA PHE C 30 -9.393 -0.516 -4.901 1.00 0.00 H new ATOM 0 HB2 PHE C 30 -7.253 -1.854 -3.210 1.00 0.00 H new ATOM 0 HB3 PHE C 30 -8.922 -1.579 -2.750 1.00 0.00 H new ATOM 0 HD1 PHE C 30 -10.576 -2.437 -4.852 1.00 0.00 H new ATOM 0 HD2 PHE C 30 -6.816 -4.068 -3.694 1.00 0.00 H new ATOM 0 HE1 PHE C 30 -11.200 -4.584 -5.863 1.00 0.00 H new ATOM 0 HE2 PHE C 30 -7.444 -6.222 -4.694 1.00 0.00 H new ATOM 0 HZ PHE C 30 -9.634 -6.482 -5.786 1.00 0.00 H new ATOM 1240 N ILE C 31 -6.597 0.910 -3.960 1.00 0.00 N ATOM 1241 CA ILE C 31 -6.048 2.159 -3.448 1.00 0.00 C ATOM 1242 C ILE C 31 -6.644 3.349 -4.197 1.00 0.00 C ATOM 1243 O ILE C 31 -7.080 4.329 -3.589 1.00 0.00 O ATOM 1244 CB ILE C 31 -4.510 2.195 -3.566 1.00 0.00 C ATOM 1245 CG1 ILE C 31 -3.884 1.161 -2.624 1.00 0.00 C ATOM 1246 CG2 ILE C 31 -3.981 3.588 -3.267 1.00 0.00 C ATOM 1247 CD1 ILE C 31 -2.372 1.128 -2.678 1.00 0.00 C ATOM 0 H ILE C 31 -5.900 0.259 -4.322 1.00 0.00 H new ATOM 0 HA ILE C 31 -6.312 2.222 -2.392 1.00 0.00 H new ATOM 0 HB ILE C 31 -4.233 1.943 -4.590 1.00 0.00 H new ATOM 0 HG12 ILE C 31 -4.198 1.376 -1.603 1.00 0.00 H new ATOM 0 HG13 ILE C 31 -4.270 0.173 -2.875 1.00 0.00 H new ATOM 0 HG21 ILE C 31 -2.895 3.591 -3.356 1.00 0.00 H new ATOM 0 HG22 ILE C 31 -4.405 4.298 -3.977 1.00 0.00 H new ATOM 0 HG23 ILE C 31 -4.263 3.875 -2.254 1.00 0.00 H new ATOM 0 HD11 ILE C 31 -2.000 0.373 -1.985 1.00 0.00 H new ATOM 0 HD12 ILE C 31 -2.049 0.883 -3.690 1.00 0.00 H new ATOM 0 HD13 ILE C 31 -1.977 2.104 -2.398 1.00 0.00 H new ATOM 1259 N HIS C 32 -6.670 3.248 -5.522 1.00 0.00 N ATOM 1260 CA HIS C 32 -7.301 4.268 -6.351 1.00 0.00 C ATOM 1261 C HIS C 32 -8.782 4.387 -6.010 1.00 0.00 C ATOM 1262 O HIS C 32 -9.317 5.487 -5.907 1.00 0.00 O ATOM 1263 CB HIS C 32 -7.141 3.952 -7.842 1.00 0.00 C ATOM 1264 CG HIS C 32 -5.759 4.174 -8.375 1.00 0.00 C ATOM 1265 ND1 HIS C 32 -5.183 3.366 -9.330 1.00 0.00 N ATOM 1266 CD2 HIS C 32 -4.852 5.142 -8.112 1.00 0.00 C ATOM 1267 CE1 HIS C 32 -3.985 3.827 -9.630 1.00 0.00 C ATOM 1268 NE2 HIS C 32 -3.757 4.905 -8.906 1.00 0.00 N ATOM 0 H HIS C 32 -6.262 2.472 -6.043 1.00 0.00 H new ATOM 0 HA HIS C 32 -6.804 5.216 -6.144 1.00 0.00 H new ATOM 0 HB2 HIS C 32 -7.421 2.913 -8.013 1.00 0.00 H new ATOM 0 HB3 HIS C 32 -7.839 4.568 -8.409 1.00 0.00 H new ATOM 0 HD2 HIS C 32 -4.968 5.952 -7.407 1.00 0.00 H new ATOM 0 HE1 HIS C 32 -3.304 3.394 -10.348 1.00 0.00 H new ATOM 0 HE2 HIS C 32 -2.908 5.469 -8.931 1.00 0.00 H new ATOM 1277 N SER C 33 -9.426 3.242 -5.811 1.00 0.00 N ATOM 1278 CA SER C 33 -10.847 3.199 -5.493 1.00 0.00 C ATOM 1279 C SER C 33 -11.151 3.910 -4.172 1.00 0.00 C ATOM 1280 O SER C 33 -12.225 4.482 -4.009 1.00 0.00 O ATOM 1281 CB SER C 33 -11.325 1.750 -5.430 1.00 0.00 C ATOM 1282 OG SER C 33 -11.059 1.074 -6.647 1.00 0.00 O ATOM 0 H SER C 33 -8.982 2.325 -5.865 1.00 0.00 H new ATOM 0 HA SER C 33 -11.382 3.724 -6.284 1.00 0.00 H new ATOM 0 HB2 SER C 33 -10.828 1.235 -4.608 1.00 0.00 H new ATOM 0 HB3 SER C 33 -12.395 1.725 -5.222 1.00 0.00 H new ATOM 0 HG SER C 33 -10.093 0.942 -6.743 1.00 0.00 H new ATOM 1288 N ILE C 34 -10.207 3.873 -3.235 1.00 0.00 N ATOM 1289 CA ILE C 34 -10.376 4.560 -1.956 1.00 0.00 C ATOM 1290 C ILE C 34 -10.429 6.067 -2.165 1.00 0.00 C ATOM 1291 O ILE C 34 -11.161 6.778 -1.487 1.00 0.00 O ATOM 1292 CB ILE C 34 -9.234 4.236 -0.962 1.00 0.00 C ATOM 1293 CG1 ILE C 34 -9.137 2.726 -0.719 1.00 0.00 C ATOM 1294 CG2 ILE C 34 -9.447 4.978 0.354 1.00 0.00 C ATOM 1295 CD1 ILE C 34 -10.397 2.114 -0.148 1.00 0.00 C ATOM 0 H ILE C 34 -9.321 3.377 -3.336 1.00 0.00 H new ATOM 0 HA ILE C 34 -11.315 4.204 -1.531 1.00 0.00 H new ATOM 0 HB ILE C 34 -8.294 4.571 -1.400 1.00 0.00 H new ATOM 0 HG12 ILE C 34 -8.899 2.231 -1.661 1.00 0.00 H new ATOM 0 HG13 ILE C 34 -8.309 2.530 -0.038 1.00 0.00 H new ATOM 0 HG21 ILE C 34 -8.636 4.739 1.042 1.00 0.00 H new ATOM 0 HG22 ILE C 34 -9.461 6.052 0.168 1.00 0.00 H new ATOM 0 HG23 ILE C 34 -10.397 4.674 0.794 1.00 0.00 H new ATOM 0 HD11 ILE C 34 -10.249 1.044 -0.005 1.00 0.00 H new ATOM 0 HD12 ILE C 34 -10.626 2.580 0.810 1.00 0.00 H new ATOM 0 HD13 ILE C 34 -11.225 2.277 -0.838 1.00 0.00 H new ATOM 1307 N HIS C 35 -9.648 6.549 -3.113 1.00 0.00 N ATOM 1308 CA HIS C 35 -9.617 7.973 -3.419 1.00 0.00 C ATOM 1309 C HIS C 35 -10.807 8.354 -4.293 1.00 0.00 C ATOM 1310 O HIS C 35 -11.355 9.448 -4.172 1.00 0.00 O ATOM 1311 CB HIS C 35 -8.305 8.344 -4.114 1.00 0.00 C ATOM 1312 CG HIS C 35 -8.150 9.813 -4.374 1.00 0.00 C ATOM 1313 ND1 HIS C 35 -8.068 10.352 -5.640 1.00 0.00 N ATOM 1314 CD2 HIS C 35 -8.054 10.859 -3.518 1.00 0.00 C ATOM 1315 CE1 HIS C 35 -7.930 11.662 -5.552 1.00 0.00 C ATOM 1316 NE2 HIS C 35 -7.920 11.994 -4.276 1.00 0.00 N ATOM 0 H HIS C 35 -9.026 5.979 -3.686 1.00 0.00 H new ATOM 0 HA HIS C 35 -9.681 8.528 -2.483 1.00 0.00 H new ATOM 0 HB2 HIS C 35 -7.471 8.004 -3.500 1.00 0.00 H new ATOM 0 HB3 HIS C 35 -8.243 7.809 -5.061 1.00 0.00 H new ATOM 0 HD2 HIS C 35 -8.078 10.808 -2.439 1.00 0.00 H new ATOM 0 HE1 HIS C 35 -7.841 12.345 -6.384 1.00 0.00 H new ATOM 0 HE2 HIS C 35 -7.828 12.942 -3.911 1.00 0.00 H new ATOM 1325 N ASP C 36 -11.194 7.440 -5.174 1.00 0.00 N ATOM 1326 CA ASP C 36 -12.337 7.656 -6.057 1.00 0.00 C ATOM 1327 C ASP C 36 -13.655 7.594 -5.294 1.00 0.00 C ATOM 1328 O ASP C 36 -14.612 8.293 -5.628 1.00 0.00 O ATOM 1329 CB ASP C 36 -12.345 6.630 -7.195 1.00 0.00 C ATOM 1330 CG ASP C 36 -11.593 7.099 -8.428 1.00 0.00 C ATOM 1331 OD1 ASP C 36 -10.354 6.931 -8.487 1.00 0.00 O ATOM 1332 OD2 ASP C 36 -12.246 7.619 -9.360 1.00 0.00 O ATOM 0 H ASP C 36 -10.732 6.539 -5.297 1.00 0.00 H new ATOM 0 HA ASP C 36 -12.235 8.656 -6.479 1.00 0.00 H new ATOM 0 HB2 ASP C 36 -11.903 5.699 -6.840 1.00 0.00 H new ATOM 0 HB3 ASP C 36 -13.377 6.409 -7.469 1.00 0.00 H new ATOM 1337 N ASP C 37 -13.693 6.770 -4.262 1.00 0.00 N ATOM 1338 CA ASP C 37 -14.899 6.585 -3.459 1.00 0.00 C ATOM 1339 C ASP C 37 -14.523 6.178 -2.036 1.00 0.00 C ATOM 1340 O ASP C 37 -14.607 5.004 -1.670 1.00 0.00 O ATOM 1341 CB ASP C 37 -15.808 5.515 -4.075 1.00 0.00 C ATOM 1342 CG ASP C 37 -17.246 5.635 -3.603 1.00 0.00 C ATOM 1343 OD1 ASP C 37 -18.155 5.661 -4.465 1.00 0.00 O ATOM 1344 OD2 ASP C 37 -17.482 5.720 -2.380 1.00 0.00 O ATOM 0 H ASP C 37 -12.897 6.211 -3.955 1.00 0.00 H new ATOM 0 HA ASP C 37 -15.440 7.531 -3.437 1.00 0.00 H new ATOM 0 HB2 ASP C 37 -15.777 5.598 -5.161 1.00 0.00 H new ATOM 0 HB3 ASP C 37 -15.426 4.527 -3.819 1.00 0.00 H new ATOM 1349 N PRO C 38 -14.085 7.148 -1.217 1.00 0.00 N ATOM 1350 CA PRO C 38 -13.674 6.899 0.173 1.00 0.00 C ATOM 1351 C PRO C 38 -14.823 6.419 1.055 1.00 0.00 C ATOM 1352 O PRO C 38 -14.600 5.879 2.138 1.00 0.00 O ATOM 1353 CB PRO C 38 -13.167 8.265 0.649 1.00 0.00 C ATOM 1354 CG PRO C 38 -13.833 9.247 -0.252 1.00 0.00 C ATOM 1355 CD PRO C 38 -13.926 8.564 -1.585 1.00 0.00 C ATOM 0 HA PRO C 38 -12.928 6.106 0.233 1.00 0.00 H new ATOM 0 HB2 PRO C 38 -13.428 8.443 1.692 1.00 0.00 H new ATOM 0 HB3 PRO C 38 -12.082 8.333 0.576 1.00 0.00 H new ATOM 0 HG2 PRO C 38 -14.821 9.516 0.122 1.00 0.00 H new ATOM 0 HG3 PRO C 38 -13.257 10.170 -0.322 1.00 0.00 H new ATOM 0 HD2 PRO C 38 -14.772 8.928 -2.167 1.00 0.00 H new ATOM 0 HD3 PRO C 38 -13.032 8.727 -2.186 1.00 0.00 H new ATOM 1363 N SER C 39 -16.050 6.609 0.592 1.00 0.00 N ATOM 1364 CA SER C 39 -17.217 6.157 1.332 1.00 0.00 C ATOM 1365 C SER C 39 -17.221 4.632 1.423 1.00 0.00 C ATOM 1366 O SER C 39 -17.619 4.054 2.437 1.00 0.00 O ATOM 1367 CB SER C 39 -18.492 6.650 0.648 1.00 0.00 C ATOM 1368 OG SER C 39 -18.451 8.054 0.447 1.00 0.00 O ATOM 0 H SER C 39 -16.262 7.073 -0.291 1.00 0.00 H new ATOM 0 HA SER C 39 -17.179 6.567 2.341 1.00 0.00 H new ATOM 0 HB2 SER C 39 -18.613 6.145 -0.310 1.00 0.00 H new ATOM 0 HB3 SER C 39 -19.359 6.391 1.256 1.00 0.00 H new ATOM 0 HG SER C 39 -19.276 8.346 0.007 1.00 0.00 H new ATOM 1374 N GLN C 40 -16.753 3.993 0.358 1.00 0.00 N ATOM 1375 CA GLN C 40 -16.676 2.545 0.283 1.00 0.00 C ATOM 1376 C GLN C 40 -15.362 2.018 0.850 1.00 0.00 C ATOM 1377 O GLN C 40 -15.111 0.821 0.781 1.00 0.00 O ATOM 1378 CB GLN C 40 -16.808 2.115 -1.168 1.00 0.00 C ATOM 1379 CG GLN C 40 -18.033 2.684 -1.843 1.00 0.00 C ATOM 1380 CD GLN C 40 -19.312 1.980 -1.434 1.00 0.00 C ATOM 1381 OE1 GLN C 40 -19.432 1.473 -0.318 1.00 0.00 O ATOM 1382 NE2 GLN C 40 -20.273 1.935 -2.340 1.00 0.00 N ATOM 0 H GLN C 40 -16.416 4.469 -0.479 1.00 0.00 H new ATOM 0 HA GLN C 40 -17.488 2.130 0.881 1.00 0.00 H new ATOM 0 HB2 GLN C 40 -15.919 2.428 -1.716 1.00 0.00 H new ATOM 0 HB3 GLN C 40 -16.846 1.027 -1.217 1.00 0.00 H new ATOM 0 HG2 GLN C 40 -18.115 3.744 -1.603 1.00 0.00 H new ATOM 0 HG3 GLN C 40 -17.913 2.610 -2.924 1.00 0.00 H new ATOM 0 HE21 GLN C 40 -20.134 2.368 -3.253 1.00 0.00 H new ATOM 0 HE22 GLN C 40 -21.154 1.468 -2.126 1.00 0.00 H new ATOM 1391 N SER C 41 -14.530 2.920 1.375 1.00 0.00 N ATOM 1392 CA SER C 41 -13.177 2.591 1.850 1.00 0.00 C ATOM 1393 C SER C 41 -13.089 1.212 2.521 1.00 0.00 C ATOM 1394 O SER C 41 -12.367 0.339 2.044 1.00 0.00 O ATOM 1395 CB SER C 41 -12.682 3.671 2.818 1.00 0.00 C ATOM 1396 OG SER C 41 -11.339 3.437 3.213 1.00 0.00 O ATOM 0 H SER C 41 -14.773 3.904 1.485 1.00 0.00 H new ATOM 0 HA SER C 41 -12.539 2.555 0.967 1.00 0.00 H new ATOM 0 HB2 SER C 41 -12.758 4.649 2.343 1.00 0.00 H new ATOM 0 HB3 SER C 41 -13.323 3.693 3.699 1.00 0.00 H new ATOM 0 HG SER C 41 -11.051 4.143 3.829 1.00 0.00 H new ATOM 1402 N ALA C 42 -13.812 1.023 3.622 1.00 0.00 N ATOM 1403 CA ALA C 42 -13.817 -0.246 4.340 1.00 0.00 C ATOM 1404 C ALA C 42 -14.215 -1.425 3.453 1.00 0.00 C ATOM 1405 O ALA C 42 -13.615 -2.493 3.522 1.00 0.00 O ATOM 1406 CB ALA C 42 -14.757 -0.160 5.524 1.00 0.00 C ATOM 0 H ALA C 42 -14.406 1.740 4.038 1.00 0.00 H new ATOM 0 HA ALA C 42 -12.797 -0.427 4.678 1.00 0.00 H new ATOM 0 HB1 ALA C 42 -14.758 -1.110 6.058 1.00 0.00 H new ATOM 0 HB2 ALA C 42 -14.426 0.633 6.195 1.00 0.00 H new ATOM 0 HB3 ALA C 42 -15.765 0.060 5.173 1.00 0.00 H new ATOM 1412 N ASN C 43 -15.231 -1.234 2.633 1.00 0.00 N ATOM 1413 CA ASN C 43 -15.704 -2.296 1.748 1.00 0.00 C ATOM 1414 C ASN C 43 -14.696 -2.566 0.631 1.00 0.00 C ATOM 1415 O ASN C 43 -14.561 -3.693 0.161 1.00 0.00 O ATOM 1416 CB ASN C 43 -17.061 -1.927 1.161 1.00 0.00 C ATOM 1417 CG ASN C 43 -17.671 -3.049 0.342 1.00 0.00 C ATOM 1418 OD1 ASN C 43 -17.483 -4.227 0.643 1.00 0.00 O ATOM 1419 ND2 ASN C 43 -18.399 -2.690 -0.704 1.00 0.00 N ATOM 0 H ASN C 43 -15.747 -0.358 2.557 1.00 0.00 H new ATOM 0 HA ASN C 43 -15.811 -3.208 2.335 1.00 0.00 H new ATOM 0 HB2 ASN C 43 -17.742 -1.662 1.970 1.00 0.00 H new ATOM 0 HB3 ASN C 43 -16.952 -1.043 0.533 1.00 0.00 H new ATOM 0 HD21 ASN C 43 -18.829 -3.402 -1.295 1.00 0.00 H new ATOM 0 HD22 ASN C 43 -18.530 -1.702 -0.919 1.00 0.00 H new ATOM 1426 N LEU C 44 -13.977 -1.527 0.219 1.00 0.00 N ATOM 1427 CA LEU C 44 -12.917 -1.673 -0.769 1.00 0.00 C ATOM 1428 C LEU C 44 -11.703 -2.323 -0.116 1.00 0.00 C ATOM 1429 O LEU C 44 -10.847 -2.898 -0.787 1.00 0.00 O ATOM 1430 CB LEU C 44 -12.547 -0.305 -1.359 1.00 0.00 C ATOM 1431 CG LEU C 44 -13.379 0.171 -2.566 1.00 0.00 C ATOM 1432 CD1 LEU C 44 -14.788 -0.403 -2.554 1.00 0.00 C ATOM 1433 CD2 LEU C 44 -13.446 1.690 -2.584 1.00 0.00 C ATOM 0 H LEU C 44 -14.110 -0.573 0.555 1.00 0.00 H new ATOM 0 HA LEU C 44 -13.266 -2.309 -1.583 1.00 0.00 H new ATOM 0 HB2 LEU C 44 -12.633 0.442 -0.570 1.00 0.00 H new ATOM 0 HB3 LEU C 44 -11.499 -0.334 -1.657 1.00 0.00 H new ATOM 0 HG LEU C 44 -12.882 -0.190 -3.466 1.00 0.00 H new ATOM 0 HD11 LEU C 44 -15.336 -0.040 -3.423 1.00 0.00 H new ATOM 0 HD12 LEU C 44 -14.738 -1.491 -2.585 1.00 0.00 H new ATOM 0 HD13 LEU C 44 -15.301 -0.090 -1.645 1.00 0.00 H new ATOM 0 HD21 LEU C 44 -14.036 2.018 -3.440 1.00 0.00 H new ATOM 0 HD22 LEU C 44 -13.912 2.045 -1.665 1.00 0.00 H new ATOM 0 HD23 LEU C 44 -12.438 2.098 -2.660 1.00 0.00 H new ATOM 1445 N LEU C 45 -11.662 -2.246 1.208 1.00 0.00 N ATOM 1446 CA LEU C 45 -10.643 -2.883 1.990 1.00 0.00 C ATOM 1447 C LEU C 45 -11.010 -4.365 2.099 1.00 0.00 C ATOM 1448 O LEU C 45 -10.168 -5.250 1.941 1.00 0.00 O ATOM 1449 CB LEU C 45 -10.590 -2.163 3.359 1.00 0.00 C ATOM 1450 CG LEU C 45 -9.783 -2.813 4.460 1.00 0.00 C ATOM 1451 CD1 LEU C 45 -10.618 -3.909 5.082 1.00 0.00 C ATOM 1452 CD2 LEU C 45 -8.483 -3.337 3.904 1.00 0.00 C ATOM 0 H LEU C 45 -12.347 -1.732 1.762 1.00 0.00 H new ATOM 0 HA LEU C 45 -9.650 -2.819 1.545 1.00 0.00 H new ATOM 0 HB2 LEU C 45 -10.192 -1.161 3.197 1.00 0.00 H new ATOM 0 HB3 LEU C 45 -11.613 -2.045 3.717 1.00 0.00 H new ATOM 0 HG LEU C 45 -9.530 -2.088 5.234 1.00 0.00 H new ATOM 0 HD11 LEU C 45 -10.051 -4.390 5.879 1.00 0.00 H new ATOM 0 HD12 LEU C 45 -11.532 -3.481 5.494 1.00 0.00 H new ATOM 0 HD13 LEU C 45 -10.873 -4.648 4.322 1.00 0.00 H new ATOM 0 HD21 LEU C 45 -7.907 -3.804 4.703 1.00 0.00 H new ATOM 0 HD22 LEU C 45 -8.690 -4.074 3.128 1.00 0.00 H new ATOM 0 HD23 LEU C 45 -7.911 -2.513 3.478 1.00 0.00 H new ATOM 1464 N ALA C 46 -12.294 -4.607 2.348 1.00 0.00 N ATOM 1465 CA ALA C 46 -12.851 -5.954 2.387 1.00 0.00 C ATOM 1466 C ALA C 46 -12.669 -6.649 1.042 1.00 0.00 C ATOM 1467 O ALA C 46 -12.334 -7.832 0.979 1.00 0.00 O ATOM 1468 CB ALA C 46 -14.329 -5.892 2.753 1.00 0.00 C ATOM 0 H ALA C 46 -12.978 -3.872 2.529 1.00 0.00 H new ATOM 0 HA ALA C 46 -12.320 -6.530 3.145 1.00 0.00 H new ATOM 0 HB1 ALA C 46 -14.740 -6.901 2.781 1.00 0.00 H new ATOM 0 HB2 ALA C 46 -14.442 -5.427 3.732 1.00 0.00 H new ATOM 0 HB3 ALA C 46 -14.864 -5.303 2.008 1.00 0.00 H new ATOM 1474 N GLU C 47 -12.893 -5.893 -0.026 1.00 0.00 N ATOM 1475 CA GLU C 47 -12.703 -6.379 -1.386 1.00 0.00 C ATOM 1476 C GLU C 47 -11.277 -6.889 -1.576 1.00 0.00 C ATOM 1477 O GLU C 47 -11.057 -8.001 -2.058 1.00 0.00 O ATOM 1478 CB GLU C 47 -12.993 -5.247 -2.372 1.00 0.00 C ATOM 1479 CG GLU C 47 -12.895 -5.656 -3.828 1.00 0.00 C ATOM 1480 CD GLU C 47 -13.940 -6.678 -4.223 1.00 0.00 C ATOM 1481 OE1 GLU C 47 -15.144 -6.356 -4.152 1.00 0.00 O ATOM 1482 OE2 GLU C 47 -13.563 -7.797 -4.629 1.00 0.00 O ATOM 0 H GLU C 47 -13.212 -4.925 0.027 1.00 0.00 H new ATOM 0 HA GLU C 47 -13.389 -7.206 -1.570 1.00 0.00 H new ATOM 0 HB2 GLU C 47 -13.994 -4.860 -2.181 1.00 0.00 H new ATOM 0 HB3 GLU C 47 -12.295 -4.430 -2.187 1.00 0.00 H new ATOM 0 HG2 GLU C 47 -13.002 -4.772 -4.457 1.00 0.00 H new ATOM 0 HG3 GLU C 47 -11.903 -6.065 -4.020 1.00 0.00 H new ATOM 1489 N ALA C 48 -10.313 -6.064 -1.192 1.00 0.00 N ATOM 1490 CA ALA C 48 -8.911 -6.442 -1.265 1.00 0.00 C ATOM 1491 C ALA C 48 -8.618 -7.644 -0.373 1.00 0.00 C ATOM 1492 O ALA C 48 -7.892 -8.555 -0.770 1.00 0.00 O ATOM 1493 CB ALA C 48 -8.019 -5.273 -0.876 1.00 0.00 C ATOM 0 H ALA C 48 -10.478 -5.126 -0.826 1.00 0.00 H new ATOM 0 HA ALA C 48 -8.696 -6.720 -2.297 1.00 0.00 H new ATOM 0 HB1 ALA C 48 -6.974 -5.577 -0.937 1.00 0.00 H new ATOM 0 HB2 ALA C 48 -8.195 -4.439 -1.556 1.00 0.00 H new ATOM 0 HB3 ALA C 48 -8.248 -4.964 0.144 1.00 0.00 H new ATOM 1499 N LYS C 49 -9.172 -7.637 0.840 1.00 0.00 N ATOM 1500 CA LYS C 49 -8.965 -8.727 1.788 1.00 0.00 C ATOM 1501 C LYS C 49 -9.421 -10.060 1.209 1.00 0.00 C ATOM 1502 O LYS C 49 -8.839 -11.105 1.498 1.00 0.00 O ATOM 1503 CB LYS C 49 -9.697 -8.446 3.102 1.00 0.00 C ATOM 1504 CG LYS C 49 -8.770 -8.207 4.277 1.00 0.00 C ATOM 1505 CD LYS C 49 -7.851 -9.396 4.524 1.00 0.00 C ATOM 1506 CE LYS C 49 -7.050 -9.229 5.804 1.00 0.00 C ATOM 1507 NZ LYS C 49 -7.925 -9.219 7.006 1.00 0.00 N ATOM 0 H LYS C 49 -9.768 -6.886 1.188 1.00 0.00 H new ATOM 0 HA LYS C 49 -7.895 -8.791 1.987 1.00 0.00 H new ATOM 0 HB2 LYS C 49 -10.337 -7.573 2.972 1.00 0.00 H new ATOM 0 HB3 LYS C 49 -10.350 -9.288 3.331 1.00 0.00 H new ATOM 0 HG2 LYS C 49 -8.170 -7.316 4.091 1.00 0.00 H new ATOM 0 HG3 LYS C 49 -9.361 -8.012 5.172 1.00 0.00 H new ATOM 0 HD2 LYS C 49 -8.444 -10.309 4.582 1.00 0.00 H new ATOM 0 HD3 LYS C 49 -7.170 -9.511 3.681 1.00 0.00 H new ATOM 0 HE2 LYS C 49 -6.326 -10.040 5.888 1.00 0.00 H new ATOM 0 HE3 LYS C 49 -6.483 -8.299 5.759 1.00 0.00 H new ATOM 0 HZ1 LYS C 49 -7.337 -9.171 7.863 1.00 0.00 H new ATOM 0 HZ2 LYS C 49 -8.554 -8.391 6.971 1.00 0.00 H new ATOM 0 HZ3 LYS C 49 -8.497 -10.087 7.026 1.00 0.00 H new ATOM 1521 N LYS C 50 -10.460 -10.013 0.390 1.00 0.00 N ATOM 1522 CA LYS C 50 -10.943 -11.194 -0.308 1.00 0.00 C ATOM 1523 C LYS C 50 -9.849 -11.753 -1.219 1.00 0.00 C ATOM 1524 O LYS C 50 -9.631 -12.963 -1.283 1.00 0.00 O ATOM 1525 CB LYS C 50 -12.187 -10.839 -1.122 1.00 0.00 C ATOM 1526 CG LYS C 50 -12.809 -12.015 -1.850 1.00 0.00 C ATOM 1527 CD LYS C 50 -14.054 -11.595 -2.606 1.00 0.00 C ATOM 1528 CE LYS C 50 -14.743 -12.786 -3.242 1.00 0.00 C ATOM 1529 NZ LYS C 50 -15.934 -12.380 -4.030 1.00 0.00 N ATOM 0 H LYS C 50 -10.988 -9.163 0.192 1.00 0.00 H new ATOM 0 HA LYS C 50 -11.206 -11.959 0.423 1.00 0.00 H new ATOM 0 HB2 LYS C 50 -12.932 -10.403 -0.456 1.00 0.00 H new ATOM 0 HB3 LYS C 50 -11.924 -10.072 -1.851 1.00 0.00 H new ATOM 0 HG2 LYS C 50 -12.085 -12.440 -2.545 1.00 0.00 H new ATOM 0 HG3 LYS C 50 -13.062 -12.797 -1.134 1.00 0.00 H new ATOM 0 HD2 LYS C 50 -14.743 -11.095 -1.926 1.00 0.00 H new ATOM 0 HD3 LYS C 50 -13.787 -10.873 -3.377 1.00 0.00 H new ATOM 0 HE2 LYS C 50 -14.040 -13.309 -3.890 1.00 0.00 H new ATOM 0 HE3 LYS C 50 -15.044 -13.489 -2.465 1.00 0.00 H new ATOM 0 HZ1 LYS C 50 -16.377 -13.223 -4.449 1.00 0.00 H new ATOM 0 HZ2 LYS C 50 -16.617 -11.903 -3.407 1.00 0.00 H new ATOM 0 HZ3 LYS C 50 -15.644 -11.729 -4.787 1.00 0.00 H new ATOM 1543 N LEU C 51 -9.154 -10.853 -1.907 1.00 0.00 N ATOM 1544 CA LEU C 51 -8.045 -11.223 -2.777 1.00 0.00 C ATOM 1545 C LEU C 51 -6.852 -11.728 -1.969 1.00 0.00 C ATOM 1546 O LEU C 51 -6.243 -12.742 -2.310 1.00 0.00 O ATOM 1547 CB LEU C 51 -7.623 -10.015 -3.606 1.00 0.00 C ATOM 1548 CG LEU C 51 -7.935 -10.085 -5.093 1.00 0.00 C ATOM 1549 CD1 LEU C 51 -7.694 -8.726 -5.719 1.00 0.00 C ATOM 1550 CD2 LEU C 51 -7.080 -11.147 -5.769 1.00 0.00 C ATOM 0 H LEU C 51 -9.343 -9.851 -1.877 1.00 0.00 H new ATOM 0 HA LEU C 51 -8.379 -12.028 -3.432 1.00 0.00 H new ATOM 0 HB2 LEU C 51 -8.108 -9.130 -3.195 1.00 0.00 H new ATOM 0 HB3 LEU C 51 -6.549 -9.875 -3.487 1.00 0.00 H new ATOM 0 HG LEU C 51 -8.981 -10.361 -5.229 1.00 0.00 H new ATOM 0 HD11 LEU C 51 -7.916 -8.772 -6.785 1.00 0.00 H new ATOM 0 HD12 LEU C 51 -8.340 -7.987 -5.245 1.00 0.00 H new ATOM 0 HD13 LEU C 51 -6.652 -8.440 -5.578 1.00 0.00 H new ATOM 0 HD21 LEU C 51 -7.317 -11.183 -6.832 1.00 0.00 H new ATOM 0 HD22 LEU C 51 -6.026 -10.902 -5.640 1.00 0.00 H new ATOM 0 HD23 LEU C 51 -7.284 -12.119 -5.319 1.00 0.00 H new ATOM 1562 N ASN C 52 -6.511 -10.998 -0.913 1.00 0.00 N ATOM 1563 CA ASN C 52 -5.423 -11.385 -0.019 1.00 0.00 C ATOM 1564 C ASN C 52 -5.654 -12.781 0.558 1.00 0.00 C ATOM 1565 O ASN C 52 -4.716 -13.556 0.719 1.00 0.00 O ATOM 1566 CB ASN C 52 -5.282 -10.358 1.113 1.00 0.00 C ATOM 1567 CG ASN C 52 -4.146 -10.673 2.069 1.00 0.00 C ATOM 1568 OD1 ASN C 52 -3.007 -10.267 1.847 1.00 0.00 O ATOM 1569 ND2 ASN C 52 -4.445 -11.380 3.148 1.00 0.00 N ATOM 0 H ASN C 52 -6.976 -10.128 -0.653 1.00 0.00 H new ATOM 0 HA ASN C 52 -4.499 -11.409 -0.597 1.00 0.00 H new ATOM 0 HB2 ASN C 52 -5.121 -9.370 0.681 1.00 0.00 H new ATOM 0 HB3 ASN C 52 -6.217 -10.313 1.672 1.00 0.00 H new ATOM 0 HD21 ASN C 52 -3.719 -11.604 3.828 1.00 0.00 H new ATOM 0 HD22 ASN C 52 -5.402 -11.700 3.299 1.00 0.00 H new ATOM 1576 N ASP C 53 -6.912 -13.099 0.844 1.00 0.00 N ATOM 1577 CA ASP C 53 -7.264 -14.390 1.430 1.00 0.00 C ATOM 1578 C ASP C 53 -7.291 -15.491 0.373 1.00 0.00 C ATOM 1579 O ASP C 53 -7.126 -16.670 0.688 1.00 0.00 O ATOM 1580 CB ASP C 53 -8.623 -14.301 2.130 1.00 0.00 C ATOM 1581 CG ASP C 53 -9.045 -15.615 2.757 1.00 0.00 C ATOM 1582 OD1 ASP C 53 -8.449 -16.008 3.783 1.00 0.00 O ATOM 1583 OD2 ASP C 53 -9.987 -16.253 2.239 1.00 0.00 O ATOM 0 H ASP C 53 -7.706 -12.481 0.680 1.00 0.00 H new ATOM 0 HA ASP C 53 -6.499 -14.644 2.163 1.00 0.00 H new ATOM 0 HB2 ASP C 53 -8.580 -13.532 2.901 1.00 0.00 H new ATOM 0 HB3 ASP C 53 -9.378 -13.988 1.409 1.00 0.00 H new ATOM 1588 N ALA C 54 -7.482 -15.099 -0.879 1.00 0.00 N ATOM 1589 CA ALA C 54 -7.564 -16.045 -1.982 1.00 0.00 C ATOM 1590 C ALA C 54 -6.278 -16.847 -2.133 1.00 0.00 C ATOM 1591 O ALA C 54 -6.284 -18.077 -2.041 1.00 0.00 O ATOM 1592 CB ALA C 54 -7.865 -15.300 -3.267 1.00 0.00 C ATOM 0 H ALA C 54 -7.584 -14.123 -1.157 1.00 0.00 H new ATOM 0 HA ALA C 54 -8.368 -16.749 -1.765 1.00 0.00 H new ATOM 0 HB1 ALA C 54 -7.926 -16.009 -4.093 1.00 0.00 H new ATOM 0 HB2 ALA C 54 -8.815 -14.774 -3.169 1.00 0.00 H new ATOM 0 HB3 ALA C 54 -7.071 -14.580 -3.465 1.00 0.00 H new ATOM 1598 N GLN C 55 -5.174 -16.145 -2.344 1.00 0.00 N ATOM 1599 CA GLN C 55 -3.888 -16.793 -2.566 1.00 0.00 C ATOM 1600 C GLN C 55 -3.109 -16.899 -1.263 1.00 0.00 C ATOM 1601 O GLN C 55 -1.885 -17.031 -1.262 1.00 0.00 O ATOM 1602 CB GLN C 55 -3.071 -16.019 -3.604 1.00 0.00 C ATOM 1603 CG GLN C 55 -3.730 -15.955 -4.972 1.00 0.00 C ATOM 1604 CD GLN C 55 -3.974 -17.328 -5.565 1.00 0.00 C ATOM 1605 OE1 GLN C 55 -5.026 -17.930 -5.360 1.00 0.00 O ATOM 1606 NE2 GLN C 55 -3.001 -17.833 -6.301 1.00 0.00 N ATOM 0 H GLN C 55 -5.142 -15.126 -2.366 1.00 0.00 H new ATOM 0 HA GLN C 55 -4.074 -17.798 -2.943 1.00 0.00 H new ATOM 0 HB2 GLN C 55 -2.906 -15.004 -3.241 1.00 0.00 H new ATOM 0 HB3 GLN C 55 -2.091 -16.485 -3.704 1.00 0.00 H new ATOM 0 HG2 GLN C 55 -4.679 -15.425 -4.890 1.00 0.00 H new ATOM 0 HG3 GLN C 55 -3.100 -15.378 -5.648 1.00 0.00 H new ATOM 0 HE21 GLN C 55 -2.143 -17.301 -6.447 1.00 0.00 H new ATOM 0 HE22 GLN C 55 -3.107 -18.755 -6.724 1.00 0.00 H new ATOM 1615 N ALA C 56 -3.832 -16.824 -0.156 1.00 0.00 N ATOM 1616 CA ALA C 56 -3.241 -16.941 1.162 1.00 0.00 C ATOM 1617 C ALA C 56 -3.016 -18.403 1.522 1.00 0.00 C ATOM 1618 O ALA C 56 -1.846 -18.838 1.556 1.00 0.00 O ATOM 1619 CB ALA C 56 -4.141 -16.274 2.183 1.00 0.00 C ATOM 0 H ALA C 56 -4.842 -16.681 -0.149 1.00 0.00 H new ATOM 0 HA ALA C 56 -2.272 -16.442 1.161 1.00 0.00 H new ATOM 0 HB1 ALA C 56 -3.695 -16.363 3.174 1.00 0.00 H new ATOM 0 HB2 ALA C 56 -4.259 -15.220 1.931 1.00 0.00 H new ATOM 0 HB3 ALA C 56 -5.117 -16.759 2.179 1.00 0.00 H new