USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 795 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 17 LYS NZ :NH3+ -121:sc= -0.128 (180deg=0) USER MOD Set 1.2: A 103 SER OG : rot 180:sc= -0.109 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -60:sc= 0.0136 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= -0.963 USER MOD Single : A 23 LYS NZ :NH3+ -119:sc= -1.46 (180deg=-4.99!) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.144) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -2.36 K(o=-2.4,f=-0.46) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= -0.0559 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -65:sc= -0.231 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -5.29! C(o=-5.3!,f=-9.3!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 THR OG1 : rot -130:sc= -0.286 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 HIS : no HD1:sc= -4.83! C(o=-4.8!,f=-5.2!) USER MOD Single : A 102 CYS SG : rot 180:sc= -0.0217 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.049 -16.814 -13.113 1.00 0.00 N ATOM 2 CA GLY A 1 -22.984 -16.024 -12.523 1.00 0.00 C ATOM 3 C GLY A 1 -21.992 -16.871 -11.753 1.00 0.00 C ATOM 4 O GLY A 1 -21.341 -17.748 -12.321 1.00 0.00 O ATOM 0 H1 GLY A 1 -24.701 -16.188 -13.628 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.642 -17.508 -13.772 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.569 -17.312 -12.362 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.460 -15.481 -13.310 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.416 -15.279 -11.855 1.00 0.00 H new ATOM 8 N SER A 2 -21.874 -16.609 -10.455 1.00 0.00 N ATOM 9 CA SER A 2 -20.949 -17.351 -9.606 1.00 0.00 C ATOM 10 C SER A 2 -19.589 -17.496 -10.282 1.00 0.00 C ATOM 11 O SER A 2 -18.978 -18.564 -10.249 1.00 0.00 O ATOM 12 CB SER A 2 -21.519 -18.733 -9.280 1.00 0.00 C ATOM 13 OG SER A 2 -20.902 -19.280 -8.127 1.00 0.00 O ATOM 0 H SER A 2 -22.407 -15.888 -9.968 1.00 0.00 H new ATOM 0 HA SER A 2 -20.817 -16.792 -8.679 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.595 -18.658 -9.120 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.369 -19.401 -10.128 1.00 0.00 H new ATOM 0 HG SER A 2 -19.937 -19.361 -8.280 1.00 0.00 H new ATOM 19 N SER A 3 -19.120 -16.413 -10.894 1.00 0.00 N ATOM 20 CA SER A 3 -17.834 -16.419 -11.581 1.00 0.00 C ATOM 21 C SER A 3 -17.018 -15.183 -11.216 1.00 0.00 C ATOM 22 O SER A 3 -17.570 -14.138 -10.876 1.00 0.00 O ATOM 23 CB SER A 3 -18.042 -16.479 -13.096 1.00 0.00 C ATOM 24 OG SER A 3 -18.656 -15.294 -13.573 1.00 0.00 O ATOM 0 H SER A 3 -19.612 -15.520 -10.928 1.00 0.00 H new ATOM 0 HA SER A 3 -17.283 -17.304 -11.262 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.082 -16.621 -13.593 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.661 -17.340 -13.348 1.00 0.00 H new ATOM 0 HG SER A 3 -18.777 -15.356 -14.544 1.00 0.00 H new ATOM 30 N GLY A 4 -15.696 -15.312 -11.290 1.00 0.00 N ATOM 31 CA GLY A 4 -14.823 -14.199 -10.965 1.00 0.00 C ATOM 32 C GLY A 4 -13.556 -14.642 -10.262 1.00 0.00 C ATOM 33 O GLY A 4 -13.610 -15.374 -9.273 1.00 0.00 O ATOM 0 H GLY A 4 -15.215 -16.167 -11.569 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.560 -13.668 -11.880 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.359 -13.494 -10.330 1.00 0.00 H new ATOM 37 N SER A 5 -12.411 -14.200 -10.773 1.00 0.00 N ATOM 38 CA SER A 5 -11.124 -14.560 -10.191 1.00 0.00 C ATOM 39 C SER A 5 -10.647 -13.485 -9.219 1.00 0.00 C ATOM 40 O SER A 5 -10.166 -13.789 -8.127 1.00 0.00 O ATOM 41 CB SER A 5 -10.082 -14.767 -11.292 1.00 0.00 C ATOM 42 OG SER A 5 -9.955 -13.607 -12.097 1.00 0.00 O ATOM 0 H SER A 5 -12.349 -13.592 -11.589 1.00 0.00 H new ATOM 0 HA SER A 5 -11.250 -15.492 -9.641 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.118 -15.010 -10.844 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.368 -15.616 -11.913 1.00 0.00 H new ATOM 0 HG SER A 5 -9.282 -13.763 -12.792 1.00 0.00 H new ATOM 48 N SER A 6 -10.786 -12.227 -9.624 1.00 0.00 N ATOM 49 CA SER A 6 -10.366 -11.106 -8.791 1.00 0.00 C ATOM 50 C SER A 6 -11.042 -11.161 -7.424 1.00 0.00 C ATOM 51 O SER A 6 -12.230 -11.463 -7.318 1.00 0.00 O ATOM 52 CB SER A 6 -10.694 -9.780 -9.481 1.00 0.00 C ATOM 53 OG SER A 6 -12.079 -9.683 -9.768 1.00 0.00 O ATOM 0 H SER A 6 -11.186 -11.958 -10.523 1.00 0.00 H new ATOM 0 HA SER A 6 -9.288 -11.176 -8.647 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.393 -8.950 -8.842 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.121 -9.696 -10.405 1.00 0.00 H new ATOM 0 HG SER A 6 -12.263 -8.826 -10.207 1.00 0.00 H new ATOM 59 N GLY A 7 -10.274 -10.868 -6.379 1.00 0.00 N ATOM 60 CA GLY A 7 -10.814 -10.890 -5.032 1.00 0.00 C ATOM 61 C GLY A 7 -10.961 -9.501 -4.444 1.00 0.00 C ATOM 62 O GLY A 7 -10.030 -8.697 -4.495 1.00 0.00 O ATOM 0 H GLY A 7 -9.288 -10.616 -6.441 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.787 -11.382 -5.042 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.162 -11.485 -4.392 1.00 0.00 H new ATOM 66 N GLU A 8 -12.133 -9.217 -3.885 1.00 0.00 N ATOM 67 CA GLU A 8 -12.399 -7.914 -3.287 1.00 0.00 C ATOM 68 C GLU A 8 -11.552 -7.708 -2.034 1.00 0.00 C ATOM 69 O GLU A 8 -11.437 -8.603 -1.195 1.00 0.00 O ATOM 70 CB GLU A 8 -13.883 -7.780 -2.940 1.00 0.00 C ATOM 71 CG GLU A 8 -14.777 -7.598 -4.155 1.00 0.00 C ATOM 72 CD GLU A 8 -14.207 -6.614 -5.158 1.00 0.00 C ATOM 73 OE1 GLU A 8 -13.780 -5.519 -4.736 1.00 0.00 O ATOM 74 OE2 GLU A 8 -14.186 -6.939 -6.363 1.00 0.00 O ATOM 0 H GLU A 8 -12.913 -9.872 -3.834 1.00 0.00 H new ATOM 0 HA GLU A 8 -12.133 -7.148 -4.015 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -14.202 -8.668 -2.394 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -14.016 -6.930 -2.271 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -14.923 -8.563 -4.641 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -15.759 -7.252 -3.830 1.00 0.00 H new ATOM 81 N LEU A 9 -10.961 -6.524 -1.914 1.00 0.00 N ATOM 82 CA LEU A 9 -10.124 -6.200 -0.765 1.00 0.00 C ATOM 83 C LEU A 9 -10.743 -5.074 0.059 1.00 0.00 C ATOM 84 O LEU A 9 -11.193 -4.068 -0.487 1.00 0.00 O ATOM 85 CB LEU A 9 -8.722 -5.797 -1.227 1.00 0.00 C ATOM 86 CG LEU A 9 -7.565 -6.258 -0.339 1.00 0.00 C ATOM 87 CD1 LEU A 9 -6.246 -5.702 -0.852 1.00 0.00 C ATOM 88 CD2 LEU A 9 -7.800 -5.837 1.104 1.00 0.00 C ATOM 0 H LEU A 9 -11.046 -5.773 -2.599 1.00 0.00 H new ATOM 0 HA LEU A 9 -10.052 -7.088 -0.137 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.564 -6.193 -2.230 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.685 -4.710 -1.303 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.515 -7.346 -0.374 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.434 -6.040 -0.208 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.074 -6.054 -1.869 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.284 -4.613 -0.847 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.967 -6.173 1.721 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.877 -4.751 1.158 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.725 -6.285 1.468 1.00 0.00 H new ATOM 100 N ALA A 10 -10.760 -5.253 1.376 1.00 0.00 N ATOM 101 CA ALA A 10 -11.319 -4.251 2.275 1.00 0.00 C ATOM 102 C ALA A 10 -10.218 -3.407 2.910 1.00 0.00 C ATOM 103 O ALA A 10 -10.241 -2.178 2.831 1.00 0.00 O ATOM 104 CB ALA A 10 -12.162 -4.919 3.351 1.00 0.00 C ATOM 0 H ALA A 10 -10.393 -6.082 1.844 1.00 0.00 H new ATOM 0 HA ALA A 10 -11.956 -3.588 1.689 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -12.573 -4.159 4.015 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -12.977 -5.472 2.884 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -11.541 -5.606 3.926 1.00 0.00 H new ATOM 110 N LEU A 11 -9.257 -4.074 3.539 1.00 0.00 N ATOM 111 CA LEU A 11 -8.147 -3.386 4.189 1.00 0.00 C ATOM 112 C LEU A 11 -7.799 -2.097 3.450 1.00 0.00 C ATOM 113 O LEU A 11 -7.540 -1.066 4.070 1.00 0.00 O ATOM 114 CB LEU A 11 -6.922 -4.298 4.252 1.00 0.00 C ATOM 115 CG LEU A 11 -6.799 -5.171 5.501 1.00 0.00 C ATOM 116 CD1 LEU A 11 -7.490 -6.509 5.288 1.00 0.00 C ATOM 117 CD2 LEU A 11 -5.336 -5.377 5.866 1.00 0.00 C ATOM 0 H LEU A 11 -9.224 -5.091 3.613 1.00 0.00 H new ATOM 0 HA LEU A 11 -8.454 -3.131 5.203 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.933 -4.949 3.378 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.028 -3.678 4.177 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.291 -4.659 6.328 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -7.392 -7.117 6.188 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.546 -6.343 5.076 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.028 -7.027 4.448 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.268 -6.001 6.757 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.820 -5.867 5.040 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.871 -4.411 6.062 1.00 0.00 H new ATOM 129 N TRP A 12 -7.795 -2.165 2.124 1.00 0.00 N ATOM 130 CA TRP A 12 -7.480 -1.003 1.300 1.00 0.00 C ATOM 131 C TRP A 12 -8.546 -0.789 0.231 1.00 0.00 C ATOM 132 O TRP A 12 -9.545 -1.505 0.185 1.00 0.00 O ATOM 133 CB TRP A 12 -6.109 -1.174 0.644 1.00 0.00 C ATOM 134 CG TRP A 12 -5.020 -1.499 1.621 1.00 0.00 C ATOM 135 CD1 TRP A 12 -4.222 -0.611 2.285 1.00 0.00 C ATOM 136 CD2 TRP A 12 -4.607 -2.804 2.042 1.00 0.00 C ATOM 137 NE1 TRP A 12 -3.339 -1.285 3.093 1.00 0.00 N ATOM 138 CE2 TRP A 12 -3.555 -2.632 2.962 1.00 0.00 C ATOM 139 CE3 TRP A 12 -5.026 -4.101 1.732 1.00 0.00 C ATOM 140 CZ2 TRP A 12 -2.917 -3.708 3.573 1.00 0.00 C ATOM 141 CZ3 TRP A 12 -4.391 -5.168 2.339 1.00 0.00 C ATOM 142 CH2 TRP A 12 -3.347 -4.967 3.251 1.00 0.00 C ATOM 0 H TRP A 12 -8.006 -3.012 1.596 1.00 0.00 H new ATOM 0 HA TRP A 12 -7.459 -0.125 1.946 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -6.167 -1.967 -0.101 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -5.851 -0.257 0.114 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -4.277 0.463 2.189 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -2.636 -0.853 3.693 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -5.831 -4.266 1.031 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -2.112 -3.555 4.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -4.705 -6.175 2.106 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -2.872 -5.822 3.709 1.00 0.00 H new ATOM 153 N SER A 13 -8.326 0.202 -0.628 1.00 0.00 N ATOM 154 CA SER A 13 -9.270 0.512 -1.695 1.00 0.00 C ATOM 155 C SER A 13 -8.702 0.118 -3.055 1.00 0.00 C ATOM 156 O SER A 13 -7.504 0.238 -3.314 1.00 0.00 O ATOM 157 CB SER A 13 -9.610 2.004 -1.685 1.00 0.00 C ATOM 158 OG SER A 13 -10.924 2.230 -2.166 1.00 0.00 O ATOM 0 H SER A 13 -7.502 0.803 -0.605 1.00 0.00 H new ATOM 0 HA SER A 13 -10.180 -0.063 -1.520 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.518 2.395 -0.672 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.895 2.548 -2.302 1.00 0.00 H new ATOM 0 HG SER A 13 -11.118 3.190 -2.148 1.00 0.00 H new ATOM 164 N PRO A 14 -9.581 -0.366 -3.944 1.00 0.00 N ATOM 165 CA PRO A 14 -9.192 -0.788 -5.293 1.00 0.00 C ATOM 166 C PRO A 14 -8.795 0.389 -6.177 1.00 0.00 C ATOM 167 O PRO A 14 -8.472 0.213 -7.352 1.00 0.00 O ATOM 168 CB PRO A 14 -10.456 -1.461 -5.833 1.00 0.00 C ATOM 169 CG PRO A 14 -11.573 -0.836 -5.070 1.00 0.00 C ATOM 170 CD PRO A 14 -11.024 -0.537 -3.703 1.00 0.00 C ATOM 0 HA PRO A 14 -8.319 -1.440 -5.280 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -10.566 -1.294 -6.904 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -10.427 -2.540 -5.680 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -11.919 0.075 -5.560 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -12.428 -1.509 -5.008 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -11.470 0.363 -3.279 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -11.221 -1.350 -3.004 1.00 0.00 H new ATOM 178 N GLU A 15 -8.822 1.589 -5.605 1.00 0.00 N ATOM 179 CA GLU A 15 -8.465 2.795 -6.343 1.00 0.00 C ATOM 180 C GLU A 15 -7.127 3.350 -5.864 1.00 0.00 C ATOM 181 O GLU A 15 -7.049 3.999 -4.821 1.00 0.00 O ATOM 182 CB GLU A 15 -9.556 3.856 -6.187 1.00 0.00 C ATOM 183 CG GLU A 15 -9.718 4.358 -4.762 1.00 0.00 C ATOM 184 CD GLU A 15 -11.104 4.910 -4.491 1.00 0.00 C ATOM 185 OE1 GLU A 15 -12.064 4.112 -4.461 1.00 0.00 O ATOM 186 OE2 GLU A 15 -11.229 6.139 -4.311 1.00 0.00 O ATOM 0 H GLU A 15 -9.087 1.752 -4.634 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.372 2.532 -7.397 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.325 4.700 -6.837 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.505 3.442 -6.527 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.514 3.542 -4.068 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.978 5.134 -4.568 1.00 0.00 H new ATOM 193 N VAL A 16 -6.075 3.090 -6.633 1.00 0.00 N ATOM 194 CA VAL A 16 -4.740 3.563 -6.289 1.00 0.00 C ATOM 195 C VAL A 16 -4.548 5.017 -6.707 1.00 0.00 C ATOM 196 O VAL A 16 -5.093 5.462 -7.717 1.00 0.00 O ATOM 197 CB VAL A 16 -3.650 2.701 -6.953 1.00 0.00 C ATOM 198 CG1 VAL A 16 -3.823 2.693 -8.464 1.00 0.00 C ATOM 199 CG2 VAL A 16 -2.266 3.204 -6.569 1.00 0.00 C ATOM 0 H VAL A 16 -6.122 2.554 -7.499 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.645 3.483 -5.206 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.752 1.677 -6.594 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.044 2.079 -8.916 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -4.801 2.282 -8.716 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.748 3.712 -8.844 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.508 2.584 -7.047 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.150 4.237 -6.898 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.148 3.153 -5.487 1.00 0.00 H new ATOM 209 N LYS A 17 -3.767 5.753 -5.923 1.00 0.00 N ATOM 210 CA LYS A 17 -3.500 7.157 -6.211 1.00 0.00 C ATOM 211 C LYS A 17 -2.007 7.396 -6.417 1.00 0.00 C ATOM 212 O LYS A 17 -1.178 6.891 -5.659 1.00 0.00 O ATOM 213 CB LYS A 17 -4.016 8.040 -5.073 1.00 0.00 C ATOM 214 CG LYS A 17 -3.631 7.539 -3.692 1.00 0.00 C ATOM 215 CD LYS A 17 -3.670 8.655 -2.662 1.00 0.00 C ATOM 216 CE LYS A 17 -3.458 8.122 -1.253 1.00 0.00 C ATOM 217 NZ LYS A 17 -4.744 7.749 -0.602 1.00 0.00 N ATOM 0 H LYS A 17 -3.308 5.400 -5.083 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.023 7.419 -7.131 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.629 9.051 -5.205 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.102 8.103 -5.138 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.310 6.741 -3.391 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.630 7.109 -3.726 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.900 9.392 -2.893 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.630 9.169 -2.717 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.803 7.251 -1.289 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.952 8.877 -0.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.864 8.302 0.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.532 7.949 -1.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.735 6.735 -0.371 1.00 0.00 H new ATOM 231 N ILE A 18 -1.672 8.169 -7.445 1.00 0.00 N ATOM 232 CA ILE A 18 -0.280 8.475 -7.747 1.00 0.00 C ATOM 233 C ILE A 18 0.163 9.759 -7.053 1.00 0.00 C ATOM 234 O ILE A 18 -0.379 10.834 -7.308 1.00 0.00 O ATOM 235 CB ILE A 18 -0.052 8.620 -9.264 1.00 0.00 C ATOM 236 CG1 ILE A 18 -0.516 7.358 -9.994 1.00 0.00 C ATOM 237 CG2 ILE A 18 1.415 8.897 -9.554 1.00 0.00 C ATOM 238 CD1 ILE A 18 0.377 6.160 -9.758 1.00 0.00 C ATOM 0 H ILE A 18 -2.346 8.594 -8.082 1.00 0.00 H new ATOM 0 HA ILE A 18 0.315 7.640 -7.376 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.640 9.463 -9.627 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.529 7.115 -9.674 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.561 7.563 -11.064 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.561 8.997 -10.630 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.715 9.821 -9.060 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.022 8.072 -9.181 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -0.013 5.302 -10.306 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.386 6.384 -10.105 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.402 5.929 -8.693 1.00 0.00 H new ATOM 250 N VAL A 19 1.154 9.639 -6.176 1.00 0.00 N ATOM 251 CA VAL A 19 1.673 10.789 -5.446 1.00 0.00 C ATOM 252 C VAL A 19 3.025 11.227 -6.000 1.00 0.00 C ATOM 253 O VAL A 19 3.938 10.415 -6.146 1.00 0.00 O ATOM 254 CB VAL A 19 1.821 10.482 -3.944 1.00 0.00 C ATOM 255 CG1 VAL A 19 2.373 11.691 -3.203 1.00 0.00 C ATOM 256 CG2 VAL A 19 0.487 10.049 -3.356 1.00 0.00 C ATOM 0 H VAL A 19 1.614 8.756 -5.954 1.00 0.00 H new ATOM 0 HA VAL A 19 0.952 11.596 -5.574 1.00 0.00 H new ATOM 0 HB VAL A 19 2.528 9.661 -3.826 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.471 11.455 -2.143 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.351 11.951 -3.608 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.694 12.534 -3.326 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.609 9.836 -2.294 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.243 10.848 -3.484 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.138 9.152 -3.868 1.00 0.00 H new ATOM 266 N GLU A 20 3.144 12.515 -6.306 1.00 0.00 N ATOM 267 CA GLU A 20 4.385 13.060 -6.844 1.00 0.00 C ATOM 268 C GLU A 20 5.328 13.480 -5.719 1.00 0.00 C ATOM 269 O GLU A 20 5.113 14.499 -5.062 1.00 0.00 O ATOM 270 CB GLU A 20 4.092 14.256 -7.752 1.00 0.00 C ATOM 271 CG GLU A 20 3.707 13.864 -9.169 1.00 0.00 C ATOM 272 CD GLU A 20 2.216 13.641 -9.328 1.00 0.00 C ATOM 273 OE1 GLU A 20 1.455 14.057 -8.428 1.00 0.00 O ATOM 274 OE2 GLU A 20 1.809 13.051 -10.350 1.00 0.00 O ATOM 0 H GLU A 20 2.397 13.200 -6.191 1.00 0.00 H new ATOM 0 HA GLU A 20 4.871 12.279 -7.429 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.285 14.844 -7.315 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.972 14.898 -7.788 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.029 14.645 -9.858 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.238 12.954 -9.447 1.00 0.00 H new ATOM 281 N LEU A 21 6.371 12.687 -5.503 1.00 0.00 N ATOM 282 CA LEU A 21 7.348 12.975 -4.458 1.00 0.00 C ATOM 283 C LEU A 21 8.686 13.388 -5.062 1.00 0.00 C ATOM 284 O LEU A 21 9.240 12.687 -5.909 1.00 0.00 O ATOM 285 CB LEU A 21 7.536 11.753 -3.558 1.00 0.00 C ATOM 286 CG LEU A 21 6.466 11.536 -2.488 1.00 0.00 C ATOM 287 CD1 LEU A 21 6.971 10.584 -1.414 1.00 0.00 C ATOM 288 CD2 LEU A 21 6.049 12.864 -1.873 1.00 0.00 C ATOM 0 H LEU A 21 6.563 11.839 -6.037 1.00 0.00 H new ATOM 0 HA LEU A 21 6.970 13.804 -3.860 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.576 10.865 -4.189 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.504 11.836 -3.064 1.00 0.00 H new ATOM 0 HG LEU A 21 5.592 11.088 -2.961 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.196 10.441 -0.661 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.219 9.624 -1.866 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.860 11.004 -0.944 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.287 12.690 -1.114 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.915 13.341 -1.415 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.646 13.514 -2.650 1.00 0.00 H new ATOM 300 N VAL A 22 9.203 14.530 -4.618 1.00 0.00 N ATOM 301 CA VAL A 22 10.478 15.034 -5.112 1.00 0.00 C ATOM 302 C VAL A 22 11.639 14.505 -4.278 1.00 0.00 C ATOM 303 O VAL A 22 11.911 15.003 -3.185 1.00 0.00 O ATOM 304 CB VAL A 22 10.514 16.574 -5.103 1.00 0.00 C ATOM 305 CG1 VAL A 22 11.838 17.081 -5.653 1.00 0.00 C ATOM 306 CG2 VAL A 22 9.346 17.139 -5.898 1.00 0.00 C ATOM 0 H VAL A 22 8.758 15.123 -3.917 1.00 0.00 H new ATOM 0 HA VAL A 22 10.581 14.681 -6.138 1.00 0.00 H new ATOM 0 HB VAL A 22 10.422 16.916 -4.072 1.00 0.00 H new ATOM 0 HG11 VAL A 22 11.845 18.171 -5.639 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.655 16.705 -5.038 1.00 0.00 H new ATOM 0 HG13 VAL A 22 11.964 16.731 -6.677 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.387 18.228 -5.881 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.405 16.790 -6.929 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.408 16.804 -5.454 1.00 0.00 H new ATOM 316 N LYS A 23 12.322 13.492 -4.800 1.00 0.00 N ATOM 317 CA LYS A 23 13.456 12.894 -4.105 1.00 0.00 C ATOM 318 C LYS A 23 14.696 13.773 -4.232 1.00 0.00 C ATOM 319 O LYS A 23 14.806 14.578 -5.156 1.00 0.00 O ATOM 320 CB LYS A 23 13.746 11.500 -4.665 1.00 0.00 C ATOM 321 CG LYS A 23 15.035 10.890 -4.141 1.00 0.00 C ATOM 322 CD LYS A 23 15.352 9.575 -4.833 1.00 0.00 C ATOM 323 CE LYS A 23 16.851 9.331 -4.908 1.00 0.00 C ATOM 324 NZ LYS A 23 17.356 8.608 -3.708 1.00 0.00 N ATOM 0 H LYS A 23 12.110 13.068 -5.703 1.00 0.00 H new ATOM 0 HA LYS A 23 13.200 12.808 -3.049 1.00 0.00 H new ATOM 0 HB2 LYS A 23 12.915 10.839 -4.419 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.797 11.558 -5.752 1.00 0.00 H new ATOM 0 HG2 LYS A 23 15.857 11.589 -4.293 1.00 0.00 H new ATOM 0 HG3 LYS A 23 14.950 10.726 -3.067 1.00 0.00 H new ATOM 0 HD2 LYS A 23 14.876 8.756 -4.295 1.00 0.00 H new ATOM 0 HD3 LYS A 23 14.933 9.582 -5.839 1.00 0.00 H new ATOM 0 HE2 LYS A 23 17.081 8.753 -5.803 1.00 0.00 H new ATOM 0 HE3 LYS A 23 17.370 10.285 -5.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 18.055 9.199 -3.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 16.563 8.403 -3.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 17.803 7.716 -4.002 1.00 0.00 H new ATOM 338 N ASP A 24 15.627 13.612 -3.298 1.00 0.00 N ATOM 339 CA ASP A 24 16.861 14.389 -3.307 1.00 0.00 C ATOM 340 C ASP A 24 18.073 13.487 -3.095 1.00 0.00 C ATOM 341 O ASP A 24 17.936 12.273 -2.935 1.00 0.00 O ATOM 342 CB ASP A 24 16.817 15.468 -2.224 1.00 0.00 C ATOM 343 CG ASP A 24 15.672 16.442 -2.424 1.00 0.00 C ATOM 344 OD1 ASP A 24 15.710 17.208 -3.409 1.00 0.00 O ATOM 345 OD2 ASP A 24 14.739 16.438 -1.594 1.00 0.00 O ATOM 0 H ASP A 24 15.551 12.951 -2.525 1.00 0.00 H new ATOM 0 HA ASP A 24 16.953 14.867 -4.282 1.00 0.00 H new ATOM 0 HB2 ASP A 24 16.721 14.994 -1.247 1.00 0.00 H new ATOM 0 HB3 ASP A 24 17.760 16.015 -2.222 1.00 0.00 H new ATOM 350 N CYS A 25 19.258 14.087 -3.094 1.00 0.00 N ATOM 351 CA CYS A 25 20.495 13.338 -2.903 1.00 0.00 C ATOM 352 C CYS A 25 20.307 12.234 -1.867 1.00 0.00 C ATOM 353 O CYS A 25 20.503 11.054 -2.158 1.00 0.00 O ATOM 354 CB CYS A 25 21.622 14.275 -2.469 1.00 0.00 C ATOM 355 SG CYS A 25 22.402 15.173 -3.831 1.00 0.00 S ATOM 0 H CYS A 25 19.388 15.090 -3.223 1.00 0.00 H new ATOM 0 HA CYS A 25 20.762 12.878 -3.854 1.00 0.00 H new ATOM 0 HB2 CYS A 25 21.226 14.995 -1.753 1.00 0.00 H new ATOM 0 HB3 CYS A 25 22.383 13.694 -1.948 1.00 0.00 H new ATOM 0 HG CYS A 25 23.341 15.941 -3.363 1.00 0.00 H new ATOM 361 N LYS A 26 19.928 12.625 -0.656 1.00 0.00 N ATOM 362 CA LYS A 26 19.714 11.671 0.425 1.00 0.00 C ATOM 363 C LYS A 26 18.695 10.610 0.021 1.00 0.00 C ATOM 364 O LYS A 26 18.924 9.415 0.201 1.00 0.00 O ATOM 365 CB LYS A 26 19.238 12.395 1.687 1.00 0.00 C ATOM 366 CG LYS A 26 17.953 13.181 1.489 1.00 0.00 C ATOM 367 CD LYS A 26 17.531 13.890 2.764 1.00 0.00 C ATOM 368 CE LYS A 26 16.263 14.704 2.556 1.00 0.00 C ATOM 369 NZ LYS A 26 16.498 15.882 1.677 1.00 0.00 N ATOM 0 H LYS A 26 19.762 13.598 -0.398 1.00 0.00 H new ATOM 0 HA LYS A 26 20.664 11.178 0.633 1.00 0.00 H new ATOM 0 HB2 LYS A 26 19.088 11.663 2.481 1.00 0.00 H new ATOM 0 HB3 LYS A 26 20.021 13.074 2.024 1.00 0.00 H new ATOM 0 HG2 LYS A 26 18.092 13.913 0.694 1.00 0.00 H new ATOM 0 HG3 LYS A 26 17.159 12.507 1.167 1.00 0.00 H new ATOM 0 HD2 LYS A 26 17.368 13.156 3.553 1.00 0.00 H new ATOM 0 HD3 LYS A 26 18.334 14.546 3.100 1.00 0.00 H new ATOM 0 HE2 LYS A 26 15.493 14.070 2.116 1.00 0.00 H new ATOM 0 HE3 LYS A 26 15.885 15.041 3.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 16.013 16.713 2.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 17.519 16.073 1.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 16.127 15.685 0.726 1.00 0.00 H new ATOM 383 N GLY A 27 17.569 11.056 -0.529 1.00 0.00 N ATOM 384 CA GLY A 27 16.533 10.132 -0.952 1.00 0.00 C ATOM 385 C GLY A 27 15.147 10.589 -0.544 1.00 0.00 C ATOM 386 O GLY A 27 14.813 11.768 -0.666 1.00 0.00 O ATOM 0 H GLY A 27 17.356 12.041 -0.689 1.00 0.00 H new ATOM 0 HA2 GLY A 27 16.571 10.020 -2.036 1.00 0.00 H new ATOM 0 HA3 GLY A 27 16.729 9.150 -0.523 1.00 0.00 H new ATOM 390 N LEU A 28 14.336 9.655 -0.060 1.00 0.00 N ATOM 391 CA LEU A 28 12.976 9.967 0.366 1.00 0.00 C ATOM 392 C LEU A 28 12.931 10.280 1.858 1.00 0.00 C ATOM 393 O LEU A 28 13.966 10.339 2.522 1.00 0.00 O ATOM 394 CB LEU A 28 12.040 8.799 0.049 1.00 0.00 C ATOM 395 CG LEU A 28 11.637 8.641 -1.417 1.00 0.00 C ATOM 396 CD1 LEU A 28 11.162 9.969 -1.986 1.00 0.00 C ATOM 397 CD2 LEU A 28 12.798 8.093 -2.234 1.00 0.00 C ATOM 0 H LEU A 28 14.597 8.675 0.047 1.00 0.00 H new ATOM 0 HA LEU A 28 12.644 10.849 -0.181 1.00 0.00 H new ATOM 0 HB2 LEU A 28 12.520 7.876 0.375 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.134 8.914 0.644 1.00 0.00 H new ATOM 0 HG LEU A 28 10.813 7.930 -1.472 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.879 9.837 -3.030 1.00 0.00 H new ATOM 0 HD12 LEU A 28 10.300 10.321 -1.419 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.965 10.702 -1.917 1.00 0.00 H new ATOM 0 HD21 LEU A 28 12.492 7.987 -3.275 1.00 0.00 H new ATOM 0 HD22 LEU A 28 13.643 8.779 -2.172 1.00 0.00 H new ATOM 0 HD23 LEU A 28 13.092 7.119 -1.841 1.00 0.00 H new ATOM 409 N GLY A 29 11.725 10.478 2.380 1.00 0.00 N ATOM 410 CA GLY A 29 11.567 10.780 3.791 1.00 0.00 C ATOM 411 C GLY A 29 10.534 9.897 4.461 1.00 0.00 C ATOM 412 O GLY A 29 9.859 10.320 5.399 1.00 0.00 O ATOM 0 H GLY A 29 10.854 10.435 1.851 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.526 10.659 4.295 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.277 11.824 3.905 1.00 0.00 H new ATOM 416 N PHE A 30 10.409 8.665 3.978 1.00 0.00 N ATOM 417 CA PHE A 30 9.448 7.720 4.535 1.00 0.00 C ATOM 418 C PHE A 30 10.045 6.317 4.609 1.00 0.00 C ATOM 419 O PHE A 30 11.057 6.027 3.971 1.00 0.00 O ATOM 420 CB PHE A 30 8.172 7.699 3.691 1.00 0.00 C ATOM 421 CG PHE A 30 8.420 7.417 2.237 1.00 0.00 C ATOM 422 CD1 PHE A 30 8.763 8.439 1.367 1.00 0.00 C ATOM 423 CD2 PHE A 30 8.311 6.128 1.739 1.00 0.00 C ATOM 424 CE1 PHE A 30 8.991 8.182 0.029 1.00 0.00 C ATOM 425 CE2 PHE A 30 8.539 5.865 0.401 1.00 0.00 C ATOM 426 CZ PHE A 30 8.880 6.893 -0.455 1.00 0.00 C ATOM 0 H PHE A 30 10.961 8.298 3.203 1.00 0.00 H new ATOM 0 HA PHE A 30 9.201 8.045 5.546 1.00 0.00 H new ATOM 0 HB2 PHE A 30 7.495 6.943 4.089 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.667 8.661 3.786 1.00 0.00 H new ATOM 0 HD1 PHE A 30 8.853 9.449 1.739 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.045 5.320 2.404 1.00 0.00 H new ATOM 0 HE1 PHE A 30 9.256 8.989 -0.638 1.00 0.00 H new ATOM 0 HE2 PHE A 30 8.450 4.856 0.026 1.00 0.00 H new ATOM 0 HZ PHE A 30 9.060 6.690 -1.500 1.00 0.00 H new ATOM 436 N SER A 31 9.411 5.451 5.393 1.00 0.00 N ATOM 437 CA SER A 31 9.882 4.080 5.555 1.00 0.00 C ATOM 438 C SER A 31 8.853 3.087 5.023 1.00 0.00 C ATOM 439 O SER A 31 7.737 3.465 4.665 1.00 0.00 O ATOM 440 CB SER A 31 10.174 3.790 7.028 1.00 0.00 C ATOM 441 OG SER A 31 11.508 4.132 7.361 1.00 0.00 O ATOM 0 H SER A 31 8.570 5.674 5.926 1.00 0.00 H new ATOM 0 HA SER A 31 10.802 3.967 4.981 1.00 0.00 H new ATOM 0 HB2 SER A 31 9.484 4.353 7.656 1.00 0.00 H new ATOM 0 HB3 SER A 31 10.004 2.733 7.234 1.00 0.00 H new ATOM 0 HG SER A 31 11.669 3.939 8.308 1.00 0.00 H new ATOM 447 N ILE A 32 9.238 1.816 4.974 1.00 0.00 N ATOM 448 CA ILE A 32 8.350 0.768 4.487 1.00 0.00 C ATOM 449 C ILE A 32 8.616 -0.553 5.200 1.00 0.00 C ATOM 450 O ILE A 32 9.728 -0.808 5.664 1.00 0.00 O ATOM 451 CB ILE A 32 8.504 0.560 2.969 1.00 0.00 C ATOM 452 CG1 ILE A 32 9.970 0.711 2.558 1.00 0.00 C ATOM 453 CG2 ILE A 32 7.630 1.546 2.208 1.00 0.00 C ATOM 454 CD1 ILE A 32 10.315 -0.011 1.274 1.00 0.00 C ATOM 0 H ILE A 32 10.159 1.487 5.266 1.00 0.00 H new ATOM 0 HA ILE A 32 7.332 1.094 4.699 1.00 0.00 H new ATOM 0 HB ILE A 32 8.179 -0.450 2.720 1.00 0.00 H new ATOM 0 HG12 ILE A 32 10.199 1.770 2.443 1.00 0.00 H new ATOM 0 HG13 ILE A 32 10.604 0.333 3.360 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.750 1.387 1.136 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.586 1.394 2.483 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.927 2.564 2.459 1.00 0.00 H new ATOM 0 HD11 ILE A 32 11.370 0.140 1.044 1.00 0.00 H new ATOM 0 HD12 ILE A 32 10.118 -1.077 1.391 1.00 0.00 H new ATOM 0 HD13 ILE A 32 9.706 0.383 0.460 1.00 0.00 H new ATOM 466 N LEU A 33 7.590 -1.393 5.281 1.00 0.00 N ATOM 467 CA LEU A 33 7.713 -2.691 5.936 1.00 0.00 C ATOM 468 C LEU A 33 6.986 -3.772 5.142 1.00 0.00 C ATOM 469 O LEU A 33 6.283 -3.479 4.175 1.00 0.00 O ATOM 470 CB LEU A 33 7.153 -2.622 7.357 1.00 0.00 C ATOM 471 CG LEU A 33 5.658 -2.906 7.504 1.00 0.00 C ATOM 472 CD1 LEU A 33 5.287 -3.067 8.970 1.00 0.00 C ATOM 473 CD2 LEU A 33 4.839 -1.795 6.864 1.00 0.00 C ATOM 0 H LEU A 33 6.663 -1.199 4.901 1.00 0.00 H new ATOM 0 HA LEU A 33 8.771 -2.949 5.982 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.700 -3.333 7.976 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.355 -1.629 7.758 1.00 0.00 H new ATOM 0 HG LEU A 33 5.433 -3.840 6.989 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.219 -3.269 9.055 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.848 -3.897 9.398 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.527 -2.151 9.509 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.777 -2.014 6.978 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.069 -0.847 7.351 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.084 -1.727 5.804 1.00 0.00 H new ATOM 485 N ASP A 34 7.159 -5.021 5.559 1.00 0.00 N ATOM 486 CA ASP A 34 6.517 -6.147 4.889 1.00 0.00 C ATOM 487 C ASP A 34 5.269 -6.590 5.647 1.00 0.00 C ATOM 488 O ASP A 34 5.316 -6.829 6.854 1.00 0.00 O ATOM 489 CB ASP A 34 7.494 -7.317 4.762 1.00 0.00 C ATOM 490 CG ASP A 34 7.984 -7.811 6.109 1.00 0.00 C ATOM 491 OD1 ASP A 34 8.133 -6.979 7.028 1.00 0.00 O ATOM 492 OD2 ASP A 34 8.219 -9.031 6.244 1.00 0.00 O ATOM 0 H ASP A 34 7.738 -5.280 6.358 1.00 0.00 H new ATOM 0 HA ASP A 34 6.219 -5.823 3.892 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.008 -8.137 4.233 1.00 0.00 H new ATOM 0 HB3 ASP A 34 8.348 -7.010 4.158 1.00 0.00 H new ATOM 497 N TYR A 35 4.156 -6.696 4.931 1.00 0.00 N ATOM 498 CA TYR A 35 2.894 -7.106 5.536 1.00 0.00 C ATOM 499 C TYR A 35 2.396 -8.412 4.924 1.00 0.00 C ATOM 500 O TYR A 35 2.689 -8.719 3.769 1.00 0.00 O ATOM 501 CB TYR A 35 1.840 -6.012 5.361 1.00 0.00 C ATOM 502 CG TYR A 35 0.808 -5.983 6.465 1.00 0.00 C ATOM 503 CD1 TYR A 35 -0.296 -6.827 6.434 1.00 0.00 C ATOM 504 CD2 TYR A 35 0.935 -5.111 7.540 1.00 0.00 C ATOM 505 CE1 TYR A 35 -1.242 -6.803 7.440 1.00 0.00 C ATOM 506 CE2 TYR A 35 -0.005 -5.082 8.551 1.00 0.00 C ATOM 507 CZ TYR A 35 -1.092 -5.930 8.497 1.00 0.00 C ATOM 508 OH TYR A 35 -2.031 -5.903 9.502 1.00 0.00 O ATOM 0 H TYR A 35 4.101 -6.504 3.931 1.00 0.00 H new ATOM 0 HA TYR A 35 3.066 -7.267 6.600 1.00 0.00 H new ATOM 0 HB2 TYR A 35 2.338 -5.043 5.315 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.334 -6.156 4.406 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.416 -7.513 5.609 1.00 0.00 H new ATOM 0 HD2 TYR A 35 1.784 -4.445 7.585 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.095 -7.464 7.399 1.00 0.00 H new ATOM 0 HE2 TYR A 35 0.110 -4.399 9.380 1.00 0.00 H new ATOM 0 HH TYR A 35 -1.776 -5.233 10.170 1.00 0.00 H new ATOM 518 N GLN A 36 1.639 -9.174 5.707 1.00 0.00 N ATOM 519 CA GLN A 36 1.099 -10.447 5.243 1.00 0.00 C ATOM 520 C GLN A 36 -0.419 -10.479 5.386 1.00 0.00 C ATOM 521 O GLN A 36 -0.956 -10.213 6.462 1.00 0.00 O ATOM 522 CB GLN A 36 1.722 -11.605 6.024 1.00 0.00 C ATOM 523 CG GLN A 36 2.974 -12.172 5.376 1.00 0.00 C ATOM 524 CD GLN A 36 3.332 -13.548 5.902 1.00 0.00 C ATOM 525 OE1 GLN A 36 4.419 -13.756 6.442 1.00 0.00 O ATOM 526 NE2 GLN A 36 2.416 -14.497 5.749 1.00 0.00 N ATOM 0 H GLN A 36 1.386 -8.932 6.665 1.00 0.00 H new ATOM 0 HA GLN A 36 1.348 -10.555 4.187 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.966 -11.264 7.030 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.984 -12.401 6.128 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.827 -12.227 4.297 1.00 0.00 H new ATOM 0 HG3 GLN A 36 3.808 -11.492 5.550 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.528 -14.281 5.296 1.00 0.00 H new ATOM 0 HE22 GLN A 36 2.600 -15.442 6.085 1.00 0.00 H new ATOM 535 N ASP A 37 -1.104 -10.804 4.296 1.00 0.00 N ATOM 536 CA ASP A 37 -2.561 -10.872 4.300 1.00 0.00 C ATOM 537 C ASP A 37 -3.057 -11.841 5.369 1.00 0.00 C ATOM 538 O ASP A 37 -2.510 -12.927 5.559 1.00 0.00 O ATOM 539 CB ASP A 37 -3.077 -11.301 2.926 1.00 0.00 C ATOM 540 CG ASP A 37 -4.552 -11.003 2.743 1.00 0.00 C ATOM 541 OD1 ASP A 37 -5.383 -11.815 3.201 1.00 0.00 O ATOM 542 OD2 ASP A 37 -4.876 -9.958 2.141 1.00 0.00 O ATOM 0 H ASP A 37 -0.674 -11.025 3.398 1.00 0.00 H new ATOM 0 HA ASP A 37 -2.946 -9.878 4.529 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.507 -10.789 2.151 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.906 -12.369 2.794 1.00 0.00 H new ATOM 547 N PRO A 38 -4.117 -11.439 6.086 1.00 0.00 N ATOM 548 CA PRO A 38 -4.709 -12.257 7.149 1.00 0.00 C ATOM 549 C PRO A 38 -5.422 -13.489 6.603 1.00 0.00 C ATOM 550 O PRO A 38 -5.678 -14.447 7.334 1.00 0.00 O ATOM 551 CB PRO A 38 -5.712 -11.308 7.809 1.00 0.00 C ATOM 552 CG PRO A 38 -6.061 -10.325 6.746 1.00 0.00 C ATOM 553 CD PRO A 38 -4.819 -10.156 5.915 1.00 0.00 C ATOM 0 HA PRO A 38 -3.954 -12.645 7.833 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.595 -11.845 8.157 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.277 -10.814 8.677 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -6.891 -10.685 6.138 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.373 -9.375 7.180 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.058 -9.965 4.869 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.215 -9.318 6.262 1.00 0.00 H new ATOM 561 N LEU A 39 -5.740 -13.460 5.313 1.00 0.00 N ATOM 562 CA LEU A 39 -6.423 -14.576 4.668 1.00 0.00 C ATOM 563 C LEU A 39 -5.469 -15.349 3.763 1.00 0.00 C ATOM 564 O LEU A 39 -5.681 -16.529 3.485 1.00 0.00 O ATOM 565 CB LEU A 39 -7.616 -14.068 3.856 1.00 0.00 C ATOM 566 CG LEU A 39 -8.426 -12.936 4.489 1.00 0.00 C ATOM 567 CD1 LEU A 39 -9.309 -12.266 3.448 1.00 0.00 C ATOM 568 CD2 LEU A 39 -9.265 -13.462 5.644 1.00 0.00 C ATOM 0 H LEU A 39 -5.536 -12.676 4.693 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.781 -15.250 5.446 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.252 -13.729 2.886 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.286 -14.907 3.669 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.732 -12.192 4.880 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.878 -11.463 3.916 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.687 -11.854 2.654 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.996 -13.000 3.027 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.835 -12.643 6.083 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.951 -14.226 5.277 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.611 -13.895 6.401 1.00 0.00 H new ATOM 580 N ASP A 40 -4.418 -14.676 3.309 1.00 0.00 N ATOM 581 CA ASP A 40 -3.429 -15.301 2.438 1.00 0.00 C ATOM 582 C ASP A 40 -2.021 -15.116 2.994 1.00 0.00 C ATOM 583 O ASP A 40 -1.366 -14.098 2.768 1.00 0.00 O ATOM 584 CB ASP A 40 -3.515 -14.712 1.028 1.00 0.00 C ATOM 585 CG ASP A 40 -3.079 -15.697 -0.038 1.00 0.00 C ATOM 586 OD1 ASP A 40 -3.443 -16.887 0.069 1.00 0.00 O ATOM 587 OD2 ASP A 40 -2.375 -15.278 -0.980 1.00 0.00 O ATOM 0 H ASP A 40 -4.229 -13.698 3.529 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.645 -16.368 2.392 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.540 -14.397 0.831 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -2.891 -13.820 0.971 1.00 0.00 H new ATOM 592 N PRO A 41 -1.543 -16.122 3.741 1.00 0.00 N ATOM 593 CA PRO A 41 -0.208 -16.094 4.347 1.00 0.00 C ATOM 594 C PRO A 41 0.902 -16.208 3.307 1.00 0.00 C ATOM 595 O PRO A 41 2.039 -15.801 3.550 1.00 0.00 O ATOM 596 CB PRO A 41 -0.209 -17.319 5.265 1.00 0.00 C ATOM 597 CG PRO A 41 -1.211 -18.242 4.663 1.00 0.00 C ATOM 598 CD PRO A 41 -2.268 -17.365 4.052 1.00 0.00 C ATOM 0 HA PRO A 41 -0.016 -15.156 4.867 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.777 -17.781 5.310 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.482 -17.049 6.285 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.750 -18.880 3.909 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.639 -18.900 5.419 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -2.695 -17.816 3.156 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.092 -17.187 4.743 1.00 0.00 H new ATOM 606 N THR A 42 0.566 -16.763 2.147 1.00 0.00 N ATOM 607 CA THR A 42 1.535 -16.931 1.071 1.00 0.00 C ATOM 608 C THR A 42 1.684 -15.649 0.261 1.00 0.00 C ATOM 609 O THR A 42 2.411 -15.612 -0.732 1.00 0.00 O ATOM 610 CB THR A 42 1.130 -18.078 0.125 1.00 0.00 C ATOM 611 OG1 THR A 42 -0.141 -17.796 -0.470 1.00 0.00 O ATOM 612 CG2 THR A 42 1.063 -19.400 0.875 1.00 0.00 C ATOM 0 H THR A 42 -0.370 -17.104 1.928 1.00 0.00 H new ATOM 0 HA THR A 42 2.489 -17.175 1.539 1.00 0.00 H new ATOM 0 HB THR A 42 1.886 -18.160 -0.656 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.391 -18.529 -1.071 1.00 0.00 H new ATOM 0 HG21 THR A 42 0.775 -20.195 0.187 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.040 -19.626 1.302 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.326 -19.328 1.674 1.00 0.00 H new ATOM 620 N ARG A 43 0.993 -14.598 0.692 1.00 0.00 N ATOM 621 CA ARG A 43 1.050 -13.313 0.006 1.00 0.00 C ATOM 622 C ARG A 43 1.434 -12.197 0.972 1.00 0.00 C ATOM 623 O ARG A 43 1.011 -12.190 2.128 1.00 0.00 O ATOM 624 CB ARG A 43 -0.299 -12.998 -0.644 1.00 0.00 C ATOM 625 CG ARG A 43 -0.430 -13.527 -2.063 1.00 0.00 C ATOM 626 CD ARG A 43 -1.618 -12.906 -2.781 1.00 0.00 C ATOM 627 NE ARG A 43 -2.012 -13.678 -3.956 1.00 0.00 N ATOM 628 CZ ARG A 43 -3.132 -13.463 -4.636 1.00 0.00 C ATOM 629 NH1 ARG A 43 -3.966 -12.503 -4.259 1.00 0.00 N ATOM 630 NH2 ARG A 43 -3.421 -14.208 -5.695 1.00 0.00 N ATOM 0 H ARG A 43 0.388 -14.612 1.513 1.00 0.00 H new ATOM 0 HA ARG A 43 1.814 -13.377 -0.769 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.095 -13.422 -0.032 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -0.445 -11.918 -0.653 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.484 -13.314 -2.618 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.543 -14.611 -2.040 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.461 -12.836 -2.094 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.368 -11.889 -3.083 1.00 0.00 H new ATOM 0 HE ARG A 43 -1.392 -14.424 -4.272 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.748 -11.928 -3.445 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -4.826 -12.340 -4.783 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -2.782 -14.947 -5.988 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -4.282 -14.041 -6.216 1.00 0.00 H new ATOM 644 N SER A 44 2.240 -11.256 0.491 1.00 0.00 N ATOM 645 CA SER A 44 2.685 -10.137 1.314 1.00 0.00 C ATOM 646 C SER A 44 2.603 -8.826 0.538 1.00 0.00 C ATOM 647 O SER A 44 2.647 -8.815 -0.692 1.00 0.00 O ATOM 648 CB SER A 44 4.119 -10.369 1.794 1.00 0.00 C ATOM 649 OG SER A 44 4.270 -11.667 2.343 1.00 0.00 O ATOM 0 H SER A 44 2.598 -11.246 -0.464 1.00 0.00 H new ATOM 0 HA SER A 44 2.026 -10.069 2.179 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.810 -10.241 0.961 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.380 -9.621 2.543 1.00 0.00 H new ATOM 0 HG SER A 44 5.195 -11.791 2.641 1.00 0.00 H new ATOM 655 N VAL A 45 2.482 -7.721 1.268 1.00 0.00 N ATOM 656 CA VAL A 45 2.394 -6.403 0.650 1.00 0.00 C ATOM 657 C VAL A 45 3.164 -5.365 1.458 1.00 0.00 C ATOM 658 O VAL A 45 3.232 -5.445 2.685 1.00 0.00 O ATOM 659 CB VAL A 45 0.930 -5.946 0.509 1.00 0.00 C ATOM 660 CG1 VAL A 45 0.133 -6.950 -0.310 1.00 0.00 C ATOM 661 CG2 VAL A 45 0.301 -5.745 1.880 1.00 0.00 C ATOM 0 H VAL A 45 2.443 -7.713 2.287 1.00 0.00 H new ATOM 0 HA VAL A 45 2.837 -6.488 -0.342 1.00 0.00 H new ATOM 0 HB VAL A 45 0.915 -4.991 -0.017 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.899 -6.610 -0.399 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.572 -7.039 -1.304 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.154 -7.921 0.185 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.733 -5.422 1.762 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.327 -6.684 2.434 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.858 -4.985 2.428 1.00 0.00 H new ATOM 671 N ILE A 46 3.741 -4.391 0.763 1.00 0.00 N ATOM 672 CA ILE A 46 4.505 -3.336 1.416 1.00 0.00 C ATOM 673 C ILE A 46 3.594 -2.203 1.878 1.00 0.00 C ATOM 674 O ILE A 46 2.767 -1.706 1.113 1.00 0.00 O ATOM 675 CB ILE A 46 5.586 -2.761 0.481 1.00 0.00 C ATOM 676 CG1 ILE A 46 6.675 -3.805 0.224 1.00 0.00 C ATOM 677 CG2 ILE A 46 6.186 -1.498 1.079 1.00 0.00 C ATOM 678 CD1 ILE A 46 7.413 -4.229 1.474 1.00 0.00 C ATOM 0 H ILE A 46 3.694 -4.311 -0.253 1.00 0.00 H new ATOM 0 HA ILE A 46 4.989 -3.787 2.282 1.00 0.00 H new ATOM 0 HB ILE A 46 5.123 -2.504 -0.472 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.223 -4.683 -0.237 1.00 0.00 H new ATOM 0 HG13 ILE A 46 7.391 -3.402 -0.492 1.00 0.00 H new ATOM 0 HG21 ILE A 46 6.948 -1.104 0.407 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.403 -0.753 1.216 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.638 -1.731 2.043 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.170 -4.970 1.216 1.00 0.00 H new ATOM 0 HD12 ILE A 46 7.894 -3.361 1.925 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.708 -4.662 2.184 1.00 0.00 H new ATOM 690 N VAL A 47 3.752 -1.798 3.134 1.00 0.00 N ATOM 691 CA VAL A 47 2.946 -0.722 3.698 1.00 0.00 C ATOM 692 C VAL A 47 3.818 0.459 4.110 1.00 0.00 C ATOM 693 O VAL A 47 5.022 0.311 4.320 1.00 0.00 O ATOM 694 CB VAL A 47 2.142 -1.204 4.920 1.00 0.00 C ATOM 695 CG1 VAL A 47 0.803 -0.485 4.995 1.00 0.00 C ATOM 696 CG2 VAL A 47 1.944 -2.711 4.867 1.00 0.00 C ATOM 0 H VAL A 47 4.431 -2.199 3.781 1.00 0.00 H new ATOM 0 HA VAL A 47 2.253 -0.404 2.919 1.00 0.00 H new ATOM 0 HB VAL A 47 2.707 -0.966 5.821 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.249 -0.838 5.864 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.971 0.588 5.083 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.229 -0.689 4.091 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.374 -3.034 5.738 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.401 -2.975 3.960 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.915 -3.206 4.865 1.00 0.00 H new ATOM 706 N ILE A 48 3.201 1.631 4.224 1.00 0.00 N ATOM 707 CA ILE A 48 3.921 2.837 4.613 1.00 0.00 C ATOM 708 C ILE A 48 4.270 2.814 6.098 1.00 0.00 C ATOM 709 O ILE A 48 3.460 3.197 6.942 1.00 0.00 O ATOM 710 CB ILE A 48 3.100 4.104 4.310 1.00 0.00 C ATOM 711 CG1 ILE A 48 2.780 4.185 2.816 1.00 0.00 C ATOM 712 CG2 ILE A 48 3.855 5.345 4.763 1.00 0.00 C ATOM 713 CD1 ILE A 48 3.986 4.483 1.954 1.00 0.00 C ATOM 0 H ILE A 48 2.205 1.770 4.053 1.00 0.00 H new ATOM 0 HA ILE A 48 4.840 2.860 4.027 1.00 0.00 H new ATOM 0 HB ILE A 48 2.161 4.052 4.862 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.339 3.241 2.496 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.029 4.958 2.655 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.262 6.233 4.542 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.038 5.288 5.836 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.807 5.404 4.236 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.684 4.526 0.908 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.415 5.441 2.247 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.730 3.697 2.085 1.00 0.00 H new ATOM 725 N ARG A 49 5.482 2.365 6.408 1.00 0.00 N ATOM 726 CA ARG A 49 5.939 2.293 7.790 1.00 0.00 C ATOM 727 C ARG A 49 5.646 3.596 8.528 1.00 0.00 C ATOM 728 O ARG A 49 4.854 3.623 9.471 1.00 0.00 O ATOM 729 CB ARG A 49 7.438 1.992 7.839 1.00 0.00 C ATOM 730 CG ARG A 49 7.985 1.850 9.250 1.00 0.00 C ATOM 731 CD ARG A 49 7.749 0.452 9.801 1.00 0.00 C ATOM 732 NE ARG A 49 8.846 -0.456 9.476 1.00 0.00 N ATOM 733 CZ ARG A 49 9.095 -1.576 10.146 1.00 0.00 C ATOM 734 NH1 ARG A 49 8.330 -1.923 11.171 1.00 0.00 N ATOM 735 NH2 ARG A 49 10.112 -2.351 9.789 1.00 0.00 N ATOM 0 H ARG A 49 6.165 2.046 5.721 1.00 0.00 H new ATOM 0 HA ARG A 49 5.397 1.486 8.284 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.633 1.072 7.288 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.977 2.790 7.328 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.053 2.067 9.251 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.510 2.584 9.901 1.00 0.00 H new ATOM 0 HD2 ARG A 49 7.630 0.504 10.883 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.818 0.055 9.397 1.00 0.00 H new ATOM 0 HE ARG A 49 9.454 -0.217 8.692 1.00 0.00 H new ATOM 0 HH11 ARG A 49 7.548 -1.330 11.447 1.00 0.00 H new ATOM 0 HH12 ARG A 49 8.523 -2.783 11.684 1.00 0.00 H new ATOM 0 HH21 ARG A 49 10.702 -2.087 9.000 1.00 0.00 H new ATOM 0 HH22 ARG A 49 10.303 -3.211 10.303 1.00 0.00 H new ATOM 749 N SER A 50 6.290 4.674 8.094 1.00 0.00 N ATOM 750 CA SER A 50 6.103 5.979 8.715 1.00 0.00 C ATOM 751 C SER A 50 6.703 7.084 7.851 1.00 0.00 C ATOM 752 O SER A 50 7.598 6.838 7.042 1.00 0.00 O ATOM 753 CB SER A 50 6.739 6.001 10.107 1.00 0.00 C ATOM 754 OG SER A 50 8.100 6.392 10.039 1.00 0.00 O ATOM 0 H SER A 50 6.947 4.669 7.314 1.00 0.00 H new ATOM 0 HA SER A 50 5.032 6.158 8.810 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.191 6.690 10.750 1.00 0.00 H new ATOM 0 HB3 SER A 50 6.663 5.013 10.561 1.00 0.00 H new ATOM 0 HG SER A 50 8.484 6.400 10.941 1.00 0.00 H new ATOM 760 N LEU A 51 6.205 8.302 8.030 1.00 0.00 N ATOM 761 CA LEU A 51 6.691 9.447 7.267 1.00 0.00 C ATOM 762 C LEU A 51 7.630 10.304 8.110 1.00 0.00 C ATOM 763 O LEU A 51 7.205 10.952 9.067 1.00 0.00 O ATOM 764 CB LEU A 51 5.516 10.292 6.773 1.00 0.00 C ATOM 765 CG LEU A 51 4.243 9.526 6.411 1.00 0.00 C ATOM 766 CD1 LEU A 51 3.114 10.491 6.085 1.00 0.00 C ATOM 767 CD2 LEU A 51 4.501 8.588 5.240 1.00 0.00 C ATOM 0 H LEU A 51 5.465 8.523 8.696 1.00 0.00 H new ATOM 0 HA LEU A 51 7.246 9.070 6.408 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.270 11.022 7.544 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.841 10.852 5.896 1.00 0.00 H new ATOM 0 HG LEU A 51 3.944 8.928 7.272 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.216 9.928 5.830 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.913 11.122 6.951 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.402 11.116 5.240 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.585 8.051 4.995 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.824 9.167 4.375 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.279 7.874 5.510 1.00 0.00 H new ATOM 779 N VAL A 52 8.909 10.304 7.747 1.00 0.00 N ATOM 780 CA VAL A 52 9.908 11.084 8.468 1.00 0.00 C ATOM 781 C VAL A 52 9.433 12.515 8.689 1.00 0.00 C ATOM 782 O VAL A 52 8.682 13.062 7.882 1.00 0.00 O ATOM 783 CB VAL A 52 11.251 11.110 7.714 1.00 0.00 C ATOM 784 CG1 VAL A 52 12.266 11.961 8.461 1.00 0.00 C ATOM 785 CG2 VAL A 52 11.775 9.697 7.509 1.00 0.00 C ATOM 0 H VAL A 52 9.278 9.773 6.958 1.00 0.00 H new ATOM 0 HA VAL A 52 10.052 10.599 9.434 1.00 0.00 H new ATOM 0 HB VAL A 52 11.089 11.558 6.734 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.208 11.968 7.913 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.891 12.981 8.550 1.00 0.00 H new ATOM 0 HG13 VAL A 52 12.427 11.546 9.456 1.00 0.00 H new ATOM 0 HG21 VAL A 52 12.724 9.735 6.975 1.00 0.00 H new ATOM 0 HG22 VAL A 52 11.923 9.220 8.478 1.00 0.00 H new ATOM 0 HG23 VAL A 52 11.054 9.122 6.927 1.00 0.00 H new ATOM 795 N ALA A 53 9.877 13.117 9.788 1.00 0.00 N ATOM 796 CA ALA A 53 9.499 14.487 10.114 1.00 0.00 C ATOM 797 C ALA A 53 9.726 15.416 8.926 1.00 0.00 C ATOM 798 O ALA A 53 10.850 15.564 8.447 1.00 0.00 O ATOM 799 CB ALA A 53 10.280 14.975 11.325 1.00 0.00 C ATOM 0 H ALA A 53 10.498 12.678 10.467 1.00 0.00 H new ATOM 0 HA ALA A 53 8.435 14.498 10.352 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.988 15.999 11.558 1.00 0.00 H new ATOM 0 HB2 ALA A 53 10.065 14.333 12.179 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.347 14.943 11.107 1.00 0.00 H new ATOM 805 N ASP A 54 8.652 16.040 8.456 1.00 0.00 N ATOM 806 CA ASP A 54 8.733 16.956 7.324 1.00 0.00 C ATOM 807 C ASP A 54 9.458 16.306 6.150 1.00 0.00 C ATOM 808 O ASP A 54 10.039 16.991 5.310 1.00 0.00 O ATOM 809 CB ASP A 54 9.452 18.243 7.733 1.00 0.00 C ATOM 810 CG ASP A 54 10.948 18.048 7.886 1.00 0.00 C ATOM 811 OD1 ASP A 54 11.660 18.095 6.861 1.00 0.00 O ATOM 812 OD2 ASP A 54 11.406 17.849 9.030 1.00 0.00 O ATOM 0 H ASP A 54 7.714 15.928 8.841 1.00 0.00 H new ATOM 0 HA ASP A 54 7.717 17.199 7.011 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.264 19.014 6.986 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.038 18.604 8.674 1.00 0.00 H new ATOM 817 N GLY A 55 9.420 14.977 6.100 1.00 0.00 N ATOM 818 CA GLY A 55 10.078 14.256 5.026 1.00 0.00 C ATOM 819 C GLY A 55 9.342 14.384 3.707 1.00 0.00 C ATOM 820 O GLY A 55 8.136 14.629 3.681 1.00 0.00 O ATOM 0 H GLY A 55 8.945 14.388 6.784 1.00 0.00 H new ATOM 0 HA2 GLY A 55 11.095 14.632 4.909 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.156 13.202 5.294 1.00 0.00 H new ATOM 824 N VAL A 56 10.070 14.219 2.607 1.00 0.00 N ATOM 825 CA VAL A 56 9.479 14.317 1.277 1.00 0.00 C ATOM 826 C VAL A 56 8.057 13.770 1.266 1.00 0.00 C ATOM 827 O VAL A 56 7.166 14.341 0.638 1.00 0.00 O ATOM 828 CB VAL A 56 10.319 13.558 0.233 1.00 0.00 C ATOM 829 CG1 VAL A 56 9.623 13.567 -1.120 1.00 0.00 C ATOM 830 CG2 VAL A 56 11.712 14.160 0.129 1.00 0.00 C ATOM 0 H VAL A 56 11.070 14.017 2.610 1.00 0.00 H new ATOM 0 HA VAL A 56 9.459 15.375 1.016 1.00 0.00 H new ATOM 0 HB VAL A 56 10.420 12.522 0.557 1.00 0.00 H new ATOM 0 HG11 VAL A 56 10.231 13.026 -1.845 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.649 13.085 -1.031 1.00 0.00 H new ATOM 0 HG13 VAL A 56 9.490 14.596 -1.454 1.00 0.00 H new ATOM 0 HG21 VAL A 56 12.291 13.611 -0.613 1.00 0.00 H new ATOM 0 HG22 VAL A 56 11.635 15.205 -0.171 1.00 0.00 H new ATOM 0 HG23 VAL A 56 12.209 14.096 1.097 1.00 0.00 H new ATOM 840 N ALA A 57 7.851 12.658 1.965 1.00 0.00 N ATOM 841 CA ALA A 57 6.536 12.034 2.038 1.00 0.00 C ATOM 842 C ALA A 57 5.495 13.008 2.580 1.00 0.00 C ATOM 843 O ALA A 57 4.556 13.381 1.878 1.00 0.00 O ATOM 844 CB ALA A 57 6.592 10.783 2.902 1.00 0.00 C ATOM 0 H ALA A 57 8.578 12.171 2.489 1.00 0.00 H new ATOM 0 HA ALA A 57 6.239 11.751 1.028 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.603 10.328 2.947 1.00 0.00 H new ATOM 0 HB2 ALA A 57 7.298 10.074 2.470 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.915 11.050 3.908 1.00 0.00 H new ATOM 850 N GLU A 58 5.669 13.415 3.834 1.00 0.00 N ATOM 851 CA GLU A 58 4.743 14.344 4.470 1.00 0.00 C ATOM 852 C GLU A 58 4.698 15.670 3.715 1.00 0.00 C ATOM 853 O GLU A 58 3.624 16.217 3.465 1.00 0.00 O ATOM 854 CB GLU A 58 5.149 14.588 5.925 1.00 0.00 C ATOM 855 CG GLU A 58 4.092 15.315 6.738 1.00 0.00 C ATOM 856 CD GLU A 58 4.250 16.822 6.686 1.00 0.00 C ATOM 857 OE1 GLU A 58 4.766 17.330 5.669 1.00 0.00 O ATOM 858 OE2 GLU A 58 3.857 17.494 7.663 1.00 0.00 O ATOM 0 H GLU A 58 6.442 13.116 4.429 1.00 0.00 H new ATOM 0 HA GLU A 58 3.749 13.898 4.447 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.365 13.630 6.399 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.072 15.168 5.944 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.104 15.044 6.367 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.145 14.983 7.775 1.00 0.00 H new ATOM 865 N ARG A 59 5.871 16.179 3.355 1.00 0.00 N ATOM 866 CA ARG A 59 5.966 17.440 2.630 1.00 0.00 C ATOM 867 C ARG A 59 4.899 17.524 1.542 1.00 0.00 C ATOM 868 O ARG A 59 4.077 18.440 1.533 1.00 0.00 O ATOM 869 CB ARG A 59 7.356 17.593 2.009 1.00 0.00 C ATOM 870 CG ARG A 59 8.461 17.798 3.032 1.00 0.00 C ATOM 871 CD ARG A 59 9.832 17.823 2.374 1.00 0.00 C ATOM 872 NE ARG A 59 10.787 18.627 3.131 1.00 0.00 N ATOM 873 CZ ARG A 59 12.103 18.457 3.069 1.00 0.00 C ATOM 874 NH1 ARG A 59 12.617 17.517 2.287 1.00 0.00 N ATOM 875 NH2 ARG A 59 12.908 19.229 3.788 1.00 0.00 N ATOM 0 H ARG A 59 6.769 15.738 3.553 1.00 0.00 H new ATOM 0 HA ARG A 59 5.801 18.251 3.340 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.580 16.705 1.418 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.347 18.439 1.322 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.295 18.734 3.566 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.426 16.999 3.772 1.00 0.00 H new ATOM 0 HD2 ARG A 59 10.209 16.804 2.282 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.742 18.222 1.364 1.00 0.00 H new ATOM 0 HE ARG A 59 10.424 19.359 3.741 1.00 0.00 H new ATOM 0 HH11 ARG A 59 12.001 16.923 1.732 1.00 0.00 H new ATOM 0 HH12 ARG A 59 13.628 17.388 2.241 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.516 19.954 4.389 1.00 0.00 H new ATOM 0 HH22 ARG A 59 13.918 19.097 3.739 1.00 0.00 H new ATOM 889 N SER A 60 4.920 16.562 0.625 1.00 0.00 N ATOM 890 CA SER A 60 3.957 16.529 -0.470 1.00 0.00 C ATOM 891 C SER A 60 2.528 16.544 0.063 1.00 0.00 C ATOM 892 O SER A 60 1.686 17.307 -0.410 1.00 0.00 O ATOM 893 CB SER A 60 4.178 15.286 -1.334 1.00 0.00 C ATOM 894 OG SER A 60 3.501 14.163 -0.796 1.00 0.00 O ATOM 0 H SER A 60 5.593 15.795 0.618 1.00 0.00 H new ATOM 0 HA SER A 60 4.108 17.419 -1.081 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.825 15.476 -2.347 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.245 15.073 -1.403 1.00 0.00 H new ATOM 0 HG SER A 60 3.891 13.931 0.073 1.00 0.00 H new ATOM 900 N GLY A 61 2.261 15.695 1.050 1.00 0.00 N ATOM 901 CA GLY A 61 0.933 15.626 1.632 1.00 0.00 C ATOM 902 C GLY A 61 0.038 14.634 0.916 1.00 0.00 C ATOM 903 O GLY A 61 -1.151 14.884 0.727 1.00 0.00 O ATOM 0 H GLY A 61 2.941 15.053 1.458 1.00 0.00 H new ATOM 0 HA2 GLY A 61 1.014 15.346 2.682 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.474 16.614 1.600 1.00 0.00 H new ATOM 907 N GLY A 62 0.612 13.503 0.514 1.00 0.00 N ATOM 908 CA GLY A 62 -0.157 12.488 -0.182 1.00 0.00 C ATOM 909 C GLY A 62 0.021 11.110 0.424 1.00 0.00 C ATOM 910 O GLY A 62 -0.881 10.273 0.355 1.00 0.00 O ATOM 0 H GLY A 62 1.595 13.272 0.658 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.213 12.758 -0.160 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.144 12.463 -1.229 1.00 0.00 H new ATOM 914 N LEU A 63 1.185 10.871 1.017 1.00 0.00 N ATOM 915 CA LEU A 63 1.479 9.583 1.636 1.00 0.00 C ATOM 916 C LEU A 63 1.071 9.580 3.106 1.00 0.00 C ATOM 917 O LEU A 63 0.960 10.635 3.733 1.00 0.00 O ATOM 918 CB LEU A 63 2.969 9.261 1.507 1.00 0.00 C ATOM 919 CG LEU A 63 3.415 8.673 0.168 1.00 0.00 C ATOM 920 CD1 LEU A 63 3.315 9.718 -0.933 1.00 0.00 C ATOM 921 CD2 LEU A 63 4.835 8.135 0.269 1.00 0.00 C ATOM 0 H LEU A 63 1.941 11.552 1.082 1.00 0.00 H new ATOM 0 HA LEU A 63 0.902 8.818 1.117 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.535 10.175 1.686 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.238 8.560 2.297 1.00 0.00 H new ATOM 0 HG LEU A 63 2.752 7.846 -0.084 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.636 9.282 -1.879 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.282 10.056 -1.021 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.954 10.566 -0.689 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.136 7.720 -0.693 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.512 8.944 0.543 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.875 7.355 1.029 1.00 0.00 H new ATOM 933 N LEU A 64 0.852 8.389 3.651 1.00 0.00 N ATOM 934 CA LEU A 64 0.459 8.248 5.049 1.00 0.00 C ATOM 935 C LEU A 64 0.838 6.871 5.585 1.00 0.00 C ATOM 936 O LEU A 64 0.878 5.882 4.853 1.00 0.00 O ATOM 937 CB LEU A 64 -1.047 8.470 5.201 1.00 0.00 C ATOM 938 CG LEU A 64 -1.536 9.906 5.010 1.00 0.00 C ATOM 939 CD1 LEU A 64 -3.047 9.980 5.169 1.00 0.00 C ATOM 940 CD2 LEU A 64 -0.847 10.839 5.994 1.00 0.00 C ATOM 0 H LEU A 64 0.940 7.507 3.147 1.00 0.00 H new ATOM 0 HA LEU A 64 0.992 9.002 5.628 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.562 7.833 4.482 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.345 8.135 6.194 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.282 10.226 3.999 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.378 11.009 5.030 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.523 9.342 4.424 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.325 9.642 6.167 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.207 11.857 5.844 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.070 10.522 7.013 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.230 10.808 5.832 1.00 0.00 H new ATOM 952 N PRO A 65 1.122 6.803 6.894 1.00 0.00 N ATOM 953 CA PRO A 65 1.500 5.552 7.558 1.00 0.00 C ATOM 954 C PRO A 65 0.335 4.574 7.660 1.00 0.00 C ATOM 955 O PRO A 65 -0.655 4.842 8.339 1.00 0.00 O ATOM 956 CB PRO A 65 1.938 6.008 8.952 1.00 0.00 C ATOM 957 CG PRO A 65 1.211 7.289 9.177 1.00 0.00 C ATOM 958 CD PRO A 65 1.095 7.942 7.827 1.00 0.00 C ATOM 0 HA PRO A 65 2.273 5.016 7.007 1.00 0.00 H new ATOM 0 HB2 PRO A 65 1.680 5.268 9.710 1.00 0.00 H new ATOM 0 HB3 PRO A 65 3.017 6.151 9.001 1.00 0.00 H new ATOM 0 HG2 PRO A 65 0.227 7.108 9.609 1.00 0.00 H new ATOM 0 HG3 PRO A 65 1.753 7.928 9.874 1.00 0.00 H new ATOM 0 HD2 PRO A 65 0.172 8.515 7.736 1.00 0.00 H new ATOM 0 HD3 PRO A 65 1.918 8.632 7.642 1.00 0.00 H new ATOM 966 N GLY A 66 0.459 3.439 6.979 1.00 0.00 N ATOM 967 CA GLY A 66 -0.591 2.438 7.007 1.00 0.00 C ATOM 968 C GLY A 66 -1.102 2.095 5.621 1.00 0.00 C ATOM 969 O GLY A 66 -1.643 1.011 5.402 1.00 0.00 O ATOM 0 H GLY A 66 1.268 3.195 6.408 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.215 1.534 7.486 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.419 2.801 7.617 1.00 0.00 H new ATOM 973 N ASP A 67 -0.933 3.022 4.685 1.00 0.00 N ATOM 974 CA ASP A 67 -1.382 2.813 3.313 1.00 0.00 C ATOM 975 C ASP A 67 -0.493 1.800 2.598 1.00 0.00 C ATOM 976 O ASP A 67 0.726 1.798 2.771 1.00 0.00 O ATOM 977 CB ASP A 67 -1.384 4.137 2.547 1.00 0.00 C ATOM 978 CG ASP A 67 -2.413 5.114 3.083 1.00 0.00 C ATOM 979 OD1 ASP A 67 -3.283 4.686 3.870 1.00 0.00 O ATOM 980 OD2 ASP A 67 -2.346 6.305 2.716 1.00 0.00 O ATOM 0 H ASP A 67 -0.489 3.925 4.851 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.398 2.419 3.346 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.394 4.589 2.605 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.585 3.944 1.493 1.00 0.00 H new ATOM 985 N ARG A 68 -1.111 0.939 1.796 1.00 0.00 N ATOM 986 CA ARG A 68 -0.376 -0.080 1.058 1.00 0.00 C ATOM 987 C ARG A 68 0.253 0.508 -0.202 1.00 0.00 C ATOM 988 O ARG A 68 -0.440 1.076 -1.047 1.00 0.00 O ATOM 989 CB ARG A 68 -1.304 -1.238 0.684 1.00 0.00 C ATOM 990 CG ARG A 68 -0.634 -2.306 -0.165 1.00 0.00 C ATOM 991 CD ARG A 68 -0.776 -2.008 -1.649 1.00 0.00 C ATOM 992 NE ARG A 68 -0.298 -3.112 -2.477 1.00 0.00 N ATOM 993 CZ ARG A 68 -1.000 -4.216 -2.707 1.00 0.00 C ATOM 994 NH1 ARG A 68 -2.205 -4.362 -2.175 1.00 0.00 N ATOM 995 NH2 ARG A 68 -0.496 -5.177 -3.472 1.00 0.00 N ATOM 0 H ARG A 68 -2.119 0.927 1.641 1.00 0.00 H new ATOM 0 HA ARG A 68 0.421 -0.454 1.701 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.684 -1.697 1.597 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.164 -0.843 0.144 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.423 -2.369 0.095 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.075 -3.278 0.056 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -1.822 -1.808 -1.880 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.218 -1.104 -1.892 1.00 0.00 H new ATOM 0 HE ARG A 68 0.626 -3.031 -2.902 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.596 -3.626 -1.587 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.742 -5.211 -2.353 1.00 0.00 H new ATOM 0 HH21 ARG A 68 0.431 -5.068 -3.884 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -1.036 -6.024 -3.648 1.00 0.00 H new ATOM 1009 N LEU A 69 1.569 0.369 -0.320 1.00 0.00 N ATOM 1010 CA LEU A 69 2.292 0.887 -1.476 1.00 0.00 C ATOM 1011 C LEU A 69 2.167 -0.059 -2.665 1.00 0.00 C ATOM 1012 O LEU A 69 2.470 -1.248 -2.561 1.00 0.00 O ATOM 1013 CB LEU A 69 3.767 1.095 -1.128 1.00 0.00 C ATOM 1014 CG LEU A 69 4.688 1.450 -2.296 1.00 0.00 C ATOM 1015 CD1 LEU A 69 4.140 2.641 -3.066 1.00 0.00 C ATOM 1016 CD2 LEU A 69 6.096 1.740 -1.795 1.00 0.00 C ATOM 0 H LEU A 69 2.157 -0.098 0.371 1.00 0.00 H new ATOM 0 HA LEU A 69 1.851 1.845 -1.750 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.836 1.888 -0.383 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.141 0.185 -0.660 1.00 0.00 H new ATOM 0 HG LEU A 69 4.732 0.596 -2.972 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.809 2.879 -3.893 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.152 2.398 -3.457 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.066 3.501 -2.401 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.738 1.991 -2.639 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.069 2.578 -1.098 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.490 0.859 -1.288 1.00 0.00 H new ATOM 1028 N VAL A 70 1.721 0.477 -3.797 1.00 0.00 N ATOM 1029 CA VAL A 70 1.559 -0.319 -5.008 1.00 0.00 C ATOM 1030 C VAL A 70 2.877 -0.446 -5.762 1.00 0.00 C ATOM 1031 O VAL A 70 3.341 -1.552 -6.040 1.00 0.00 O ATOM 1032 CB VAL A 70 0.501 0.294 -5.945 1.00 0.00 C ATOM 1033 CG1 VAL A 70 0.393 -0.514 -7.230 1.00 0.00 C ATOM 1034 CG2 VAL A 70 -0.847 0.378 -5.244 1.00 0.00 C ATOM 0 H VAL A 70 1.466 1.459 -3.901 1.00 0.00 H new ATOM 0 HA VAL A 70 1.226 -1.309 -4.694 1.00 0.00 H new ATOM 0 HB VAL A 70 0.814 1.305 -6.205 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.359 -0.066 -7.879 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.357 -0.518 -7.740 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.104 -1.538 -6.993 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.582 0.813 -5.921 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.169 -0.622 -4.953 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.757 1.003 -4.355 1.00 0.00 H new ATOM 1044 N SER A 71 3.477 0.694 -6.091 1.00 0.00 N ATOM 1045 CA SER A 71 4.742 0.710 -6.817 1.00 0.00 C ATOM 1046 C SER A 71 5.495 2.013 -6.566 1.00 0.00 C ATOM 1047 O SER A 71 4.973 2.934 -5.938 1.00 0.00 O ATOM 1048 CB SER A 71 4.496 0.531 -8.316 1.00 0.00 C ATOM 1049 OG SER A 71 3.299 1.175 -8.718 1.00 0.00 O ATOM 0 H SER A 71 3.108 1.618 -5.866 1.00 0.00 H new ATOM 0 HA SER A 71 5.352 -0.118 -6.455 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.337 0.938 -8.877 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.438 -0.531 -8.554 1.00 0.00 H new ATOM 0 HG SER A 71 3.166 1.047 -9.680 1.00 0.00 H new ATOM 1055 N VAL A 72 6.726 2.083 -7.062 1.00 0.00 N ATOM 1056 CA VAL A 72 7.552 3.272 -6.894 1.00 0.00 C ATOM 1057 C VAL A 72 8.403 3.530 -8.132 1.00 0.00 C ATOM 1058 O VAL A 72 9.361 2.807 -8.401 1.00 0.00 O ATOM 1059 CB VAL A 72 8.475 3.145 -5.668 1.00 0.00 C ATOM 1060 CG1 VAL A 72 9.375 4.366 -5.547 1.00 0.00 C ATOM 1061 CG2 VAL A 72 7.655 2.950 -4.401 1.00 0.00 C ATOM 0 H VAL A 72 7.173 1.329 -7.584 1.00 0.00 H new ATOM 0 HA VAL A 72 6.872 4.111 -6.743 1.00 0.00 H new ATOM 0 HB VAL A 72 9.109 2.268 -5.802 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.020 4.258 -4.675 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.989 4.456 -6.443 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.762 5.260 -5.436 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.324 2.862 -3.545 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.995 3.806 -4.260 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.058 2.042 -4.490 1.00 0.00 H new ATOM 1071 N ASN A 73 8.045 4.567 -8.884 1.00 0.00 N ATOM 1072 CA ASN A 73 8.776 4.921 -10.095 1.00 0.00 C ATOM 1073 C ASN A 73 8.682 3.807 -11.133 1.00 0.00 C ATOM 1074 O ASN A 73 9.693 3.373 -11.685 1.00 0.00 O ATOM 1075 CB ASN A 73 10.243 5.204 -9.766 1.00 0.00 C ATOM 1076 CG ASN A 73 10.489 6.662 -9.430 1.00 0.00 C ATOM 1077 OD1 ASN A 73 9.602 7.354 -8.931 1.00 0.00 O ATOM 1078 ND2 ASN A 73 11.699 7.136 -9.703 1.00 0.00 N ATOM 0 H ASN A 73 7.254 5.176 -8.676 1.00 0.00 H new ATOM 0 HA ASN A 73 8.324 5.821 -10.512 1.00 0.00 H new ATOM 0 HB2 ASN A 73 10.550 4.583 -8.924 1.00 0.00 H new ATOM 0 HB3 ASN A 73 10.864 4.920 -10.615 1.00 0.00 H new ATOM 0 HD21 ASN A 73 11.923 8.110 -9.499 1.00 0.00 H new ATOM 0 HD22 ASN A 73 12.404 6.526 -10.117 1.00 0.00 H new ATOM 1085 N GLU A 74 7.461 3.349 -11.392 1.00 0.00 N ATOM 1086 CA GLU A 74 7.236 2.285 -12.364 1.00 0.00 C ATOM 1087 C GLU A 74 7.932 0.997 -11.931 1.00 0.00 C ATOM 1088 O GLU A 74 8.673 0.389 -12.704 1.00 0.00 O ATOM 1089 CB GLU A 74 7.738 2.710 -13.745 1.00 0.00 C ATOM 1090 CG GLU A 74 6.784 3.634 -14.482 1.00 0.00 C ATOM 1091 CD GLU A 74 7.384 4.198 -15.755 1.00 0.00 C ATOM 1092 OE1 GLU A 74 7.771 3.400 -16.634 1.00 0.00 O ATOM 1093 OE2 GLU A 74 7.467 5.439 -15.872 1.00 0.00 O ATOM 0 H GLU A 74 6.614 3.697 -10.943 1.00 0.00 H new ATOM 0 HA GLU A 74 6.164 2.098 -12.418 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.701 3.209 -13.634 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.908 1.820 -14.350 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.872 3.089 -14.725 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.499 4.455 -13.824 1.00 0.00 H new ATOM 1100 N TYR A 75 7.688 0.588 -10.691 1.00 0.00 N ATOM 1101 CA TYR A 75 8.292 -0.626 -10.154 1.00 0.00 C ATOM 1102 C TYR A 75 7.253 -1.481 -9.437 1.00 0.00 C ATOM 1103 O TYR A 75 6.740 -1.101 -8.384 1.00 0.00 O ATOM 1104 CB TYR A 75 9.429 -0.272 -9.194 1.00 0.00 C ATOM 1105 CG TYR A 75 10.763 -0.077 -9.879 1.00 0.00 C ATOM 1106 CD1 TYR A 75 11.604 -1.155 -10.124 1.00 0.00 C ATOM 1107 CD2 TYR A 75 11.182 1.185 -10.281 1.00 0.00 C ATOM 1108 CE1 TYR A 75 12.824 -0.982 -10.749 1.00 0.00 C ATOM 1109 CE2 TYR A 75 12.399 1.367 -10.908 1.00 0.00 C ATOM 1110 CZ TYR A 75 13.217 0.281 -11.140 1.00 0.00 C ATOM 1111 OH TYR A 75 14.430 0.458 -11.763 1.00 0.00 O ATOM 0 H TYR A 75 7.076 1.079 -10.039 1.00 0.00 H new ATOM 0 HA TYR A 75 8.695 -1.201 -10.988 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.169 0.640 -8.657 1.00 0.00 H new ATOM 0 HB3 TYR A 75 9.524 -1.063 -8.450 1.00 0.00 H new ATOM 0 HD1 TYR A 75 11.299 -2.146 -9.821 1.00 0.00 H new ATOM 0 HD2 TYR A 75 10.545 2.038 -10.100 1.00 0.00 H new ATOM 0 HE1 TYR A 75 13.466 -1.831 -10.930 1.00 0.00 H new ATOM 0 HE2 TYR A 75 12.709 2.355 -11.215 1.00 0.00 H new ATOM 0 HH TYR A 75 14.554 1.407 -11.974 1.00 0.00 H new ATOM 1121 N CYS A 76 6.948 -2.638 -10.014 1.00 0.00 N ATOM 1122 CA CYS A 76 5.969 -3.549 -9.431 1.00 0.00 C ATOM 1123 C CYS A 76 6.436 -4.049 -8.068 1.00 0.00 C ATOM 1124 O CYS A 76 7.282 -4.939 -7.978 1.00 0.00 O ATOM 1125 CB CYS A 76 5.724 -4.734 -10.367 1.00 0.00 C ATOM 1126 SG CYS A 76 5.015 -4.278 -11.966 1.00 0.00 S ATOM 0 H CYS A 76 7.364 -2.968 -10.885 1.00 0.00 H new ATOM 0 HA CYS A 76 5.035 -3.003 -9.296 1.00 0.00 H new ATOM 0 HB2 CYS A 76 6.668 -5.252 -10.535 1.00 0.00 H new ATOM 0 HB3 CYS A 76 5.056 -5.441 -9.874 1.00 0.00 H new ATOM 0 HG CYS A 76 4.847 -5.347 -12.687 1.00 0.00 H new ATOM 1132 N LEU A 77 5.881 -3.469 -7.010 1.00 0.00 N ATOM 1133 CA LEU A 77 6.241 -3.855 -5.650 1.00 0.00 C ATOM 1134 C LEU A 77 5.209 -4.812 -5.063 1.00 0.00 C ATOM 1135 O LEU A 77 5.093 -4.946 -3.845 1.00 0.00 O ATOM 1136 CB LEU A 77 6.365 -2.614 -4.763 1.00 0.00 C ATOM 1137 CG LEU A 77 7.363 -1.553 -5.228 1.00 0.00 C ATOM 1138 CD1 LEU A 77 7.437 -0.413 -4.225 1.00 0.00 C ATOM 1139 CD2 LEU A 77 8.738 -2.170 -5.440 1.00 0.00 C ATOM 0 H LEU A 77 5.180 -2.730 -7.067 1.00 0.00 H new ATOM 0 HA LEU A 77 7.203 -4.366 -5.687 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.382 -2.149 -4.683 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.648 -2.935 -3.761 1.00 0.00 H new ATOM 0 HG LEU A 77 7.017 -1.150 -6.180 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.152 0.332 -4.573 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.454 0.047 -4.124 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.758 -0.800 -3.258 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.435 -1.400 -5.771 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.091 -2.602 -4.504 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.673 -2.951 -6.198 1.00 0.00 H new ATOM 1151 N ASP A 78 4.462 -5.477 -5.938 1.00 0.00 N ATOM 1152 CA ASP A 78 3.441 -6.425 -5.507 1.00 0.00 C ATOM 1153 C ASP A 78 4.073 -7.746 -5.078 1.00 0.00 C ATOM 1154 O ASP A 78 4.792 -8.380 -5.848 1.00 0.00 O ATOM 1155 CB ASP A 78 2.434 -6.669 -6.632 1.00 0.00 C ATOM 1156 CG ASP A 78 3.098 -6.772 -7.991 1.00 0.00 C ATOM 1157 OD1 ASP A 78 4.218 -7.318 -8.064 1.00 0.00 O ATOM 1158 OD2 ASP A 78 2.497 -6.305 -8.982 1.00 0.00 O ATOM 0 H ASP A 78 4.544 -5.377 -6.950 1.00 0.00 H new ATOM 0 HA ASP A 78 2.920 -5.997 -4.651 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.883 -7.587 -6.430 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.706 -5.857 -6.647 1.00 0.00 H new ATOM 1163 N ASN A 79 3.799 -8.152 -3.842 1.00 0.00 N ATOM 1164 CA ASN A 79 4.342 -9.397 -3.310 1.00 0.00 C ATOM 1165 C ASN A 79 5.867 -9.373 -3.318 1.00 0.00 C ATOM 1166 O ASN A 79 6.514 -10.361 -3.668 1.00 0.00 O ATOM 1167 CB ASN A 79 3.835 -10.589 -4.125 1.00 0.00 C ATOM 1168 CG ASN A 79 2.322 -10.622 -4.221 1.00 0.00 C ATOM 1169 OD1 ASN A 79 1.623 -10.572 -3.209 1.00 0.00 O ATOM 1170 ND2 ASN A 79 1.809 -10.707 -5.443 1.00 0.00 N ATOM 0 H ASN A 79 3.205 -7.638 -3.191 1.00 0.00 H new ATOM 0 HA ASN A 79 4.003 -9.500 -2.279 1.00 0.00 H new ATOM 0 HB2 ASN A 79 4.259 -10.546 -5.128 1.00 0.00 H new ATOM 0 HB3 ASN A 79 4.188 -11.514 -3.669 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.797 -10.733 -5.571 1.00 0.00 H new ATOM 0 HD22 ASN A 79 2.427 -10.746 -6.254 1.00 0.00 H new ATOM 1177 N THR A 80 6.438 -8.236 -2.929 1.00 0.00 N ATOM 1178 CA THR A 80 7.886 -8.082 -2.892 1.00 0.00 C ATOM 1179 C THR A 80 8.419 -8.233 -1.472 1.00 0.00 C ATOM 1180 O THR A 80 7.693 -8.020 -0.500 1.00 0.00 O ATOM 1181 CB THR A 80 8.320 -6.713 -3.449 1.00 0.00 C ATOM 1182 OG1 THR A 80 7.739 -6.503 -4.740 1.00 0.00 O ATOM 1183 CG2 THR A 80 9.836 -6.625 -3.548 1.00 0.00 C ATOM 0 H THR A 80 5.918 -7.409 -2.635 1.00 0.00 H new ATOM 0 HA THR A 80 8.304 -8.870 -3.519 1.00 0.00 H new ATOM 0 HB THR A 80 7.971 -5.940 -2.765 1.00 0.00 H new ATOM 0 HG1 THR A 80 8.436 -6.225 -5.371 1.00 0.00 H new ATOM 0 HG21 THR A 80 10.119 -5.650 -3.944 1.00 0.00 H new ATOM 0 HG22 THR A 80 10.273 -6.756 -2.558 1.00 0.00 H new ATOM 0 HG23 THR A 80 10.203 -7.407 -4.213 1.00 0.00 H new ATOM 1191 N SER A 81 9.691 -8.599 -1.357 1.00 0.00 N ATOM 1192 CA SER A 81 10.321 -8.781 -0.055 1.00 0.00 C ATOM 1193 C SER A 81 10.896 -7.465 0.459 1.00 0.00 C ATOM 1194 O SER A 81 11.520 -6.712 -0.290 1.00 0.00 O ATOM 1195 CB SER A 81 11.426 -9.835 -0.141 1.00 0.00 C ATOM 1196 OG SER A 81 10.882 -11.131 -0.319 1.00 0.00 O ATOM 0 H SER A 81 10.306 -8.776 -2.151 1.00 0.00 H new ATOM 0 HA SER A 81 9.558 -9.122 0.645 1.00 0.00 H new ATOM 0 HB2 SER A 81 12.093 -9.600 -0.970 1.00 0.00 H new ATOM 0 HB3 SER A 81 12.027 -9.811 0.768 1.00 0.00 H new ATOM 0 HG SER A 81 11.609 -11.786 -0.373 1.00 0.00 H new ATOM 1202 N LEU A 82 10.682 -7.193 1.742 1.00 0.00 N ATOM 1203 CA LEU A 82 11.179 -5.968 2.358 1.00 0.00 C ATOM 1204 C LEU A 82 12.523 -5.564 1.760 1.00 0.00 C ATOM 1205 O LEU A 82 12.672 -4.463 1.231 1.00 0.00 O ATOM 1206 CB LEU A 82 11.316 -6.153 3.870 1.00 0.00 C ATOM 1207 CG LEU A 82 12.007 -5.018 4.626 1.00 0.00 C ATOM 1208 CD1 LEU A 82 11.215 -3.726 4.489 1.00 0.00 C ATOM 1209 CD2 LEU A 82 12.186 -5.384 6.092 1.00 0.00 C ATOM 0 H LEU A 82 10.167 -7.805 2.376 1.00 0.00 H new ATOM 0 HA LEU A 82 10.460 -5.173 2.159 1.00 0.00 H new ATOM 0 HB2 LEU A 82 10.320 -6.289 4.291 1.00 0.00 H new ATOM 0 HB3 LEU A 82 11.868 -7.074 4.054 1.00 0.00 H new ATOM 0 HG LEU A 82 12.993 -4.864 4.189 1.00 0.00 H new ATOM 0 HD11 LEU A 82 11.722 -2.929 5.033 1.00 0.00 H new ATOM 0 HD12 LEU A 82 11.140 -3.455 3.436 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.215 -3.867 4.899 1.00 0.00 H new ATOM 0 HD21 LEU A 82 12.679 -4.564 6.614 1.00 0.00 H new ATOM 0 HD22 LEU A 82 11.211 -5.567 6.543 1.00 0.00 H new ATOM 0 HD23 LEU A 82 12.796 -6.284 6.170 1.00 0.00 H new ATOM 1221 N ALA A 83 13.498 -6.464 1.846 1.00 0.00 N ATOM 1222 CA ALA A 83 14.828 -6.203 1.310 1.00 0.00 C ATOM 1223 C ALA A 83 14.749 -5.667 -0.116 1.00 0.00 C ATOM 1224 O ALA A 83 15.377 -4.661 -0.445 1.00 0.00 O ATOM 1225 CB ALA A 83 15.672 -7.467 1.355 1.00 0.00 C ATOM 0 H ALA A 83 13.391 -7.380 2.282 1.00 0.00 H new ATOM 0 HA ALA A 83 15.301 -5.442 1.931 1.00 0.00 H new ATOM 0 HB1 ALA A 83 16.663 -7.258 0.952 1.00 0.00 H new ATOM 0 HB2 ALA A 83 15.765 -7.806 2.387 1.00 0.00 H new ATOM 0 HB3 ALA A 83 15.195 -8.245 0.759 1.00 0.00 H new ATOM 1231 N GLU A 84 13.976 -6.346 -0.957 1.00 0.00 N ATOM 1232 CA GLU A 84 13.818 -5.938 -2.348 1.00 0.00 C ATOM 1233 C GLU A 84 13.157 -4.566 -2.441 1.00 0.00 C ATOM 1234 O GLU A 84 13.621 -3.690 -3.170 1.00 0.00 O ATOM 1235 CB GLU A 84 12.987 -6.969 -3.114 1.00 0.00 C ATOM 1236 CG GLU A 84 13.817 -8.082 -3.733 1.00 0.00 C ATOM 1237 CD GLU A 84 13.132 -8.728 -4.922 1.00 0.00 C ATOM 1238 OE1 GLU A 84 13.171 -8.137 -6.021 1.00 0.00 O ATOM 1239 OE2 GLU A 84 12.558 -9.824 -4.753 1.00 0.00 O ATOM 0 H GLU A 84 13.449 -7.181 -0.700 1.00 0.00 H new ATOM 0 HA GLU A 84 14.810 -5.876 -2.796 1.00 0.00 H new ATOM 0 HB2 GLU A 84 12.254 -7.408 -2.437 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.430 -6.462 -3.902 1.00 0.00 H new ATOM 0 HG2 GLU A 84 14.780 -7.680 -4.047 1.00 0.00 H new ATOM 0 HG3 GLU A 84 14.020 -8.842 -2.978 1.00 0.00 H new ATOM 1246 N ALA A 85 12.071 -4.387 -1.696 1.00 0.00 N ATOM 1247 CA ALA A 85 11.347 -3.122 -1.692 1.00 0.00 C ATOM 1248 C ALA A 85 12.271 -1.962 -1.340 1.00 0.00 C ATOM 1249 O ALA A 85 12.371 -0.986 -2.085 1.00 0.00 O ATOM 1250 CB ALA A 85 10.180 -3.185 -0.717 1.00 0.00 C ATOM 0 H ALA A 85 11.673 -5.102 -1.087 1.00 0.00 H new ATOM 0 HA ALA A 85 10.959 -2.951 -2.696 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.648 -2.234 -0.724 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.500 -3.983 -1.015 1.00 0.00 H new ATOM 0 HB3 ALA A 85 10.555 -3.383 0.287 1.00 0.00 H new ATOM 1256 N VAL A 86 12.945 -2.073 -0.200 1.00 0.00 N ATOM 1257 CA VAL A 86 13.862 -1.032 0.251 1.00 0.00 C ATOM 1258 C VAL A 86 14.928 -0.746 -0.801 1.00 0.00 C ATOM 1259 O VAL A 86 15.204 0.410 -1.120 1.00 0.00 O ATOM 1260 CB VAL A 86 14.552 -1.425 1.571 1.00 0.00 C ATOM 1261 CG1 VAL A 86 15.506 -0.330 2.021 1.00 0.00 C ATOM 1262 CG2 VAL A 86 13.516 -1.716 2.646 1.00 0.00 C ATOM 0 H VAL A 86 12.874 -2.873 0.428 1.00 0.00 H new ATOM 0 HA VAL A 86 13.266 -0.134 0.414 1.00 0.00 H new ATOM 0 HB VAL A 86 15.132 -2.332 1.402 1.00 0.00 H new ATOM 0 HG11 VAL A 86 15.984 -0.625 2.955 1.00 0.00 H new ATOM 0 HG12 VAL A 86 16.268 -0.174 1.257 1.00 0.00 H new ATOM 0 HG13 VAL A 86 14.951 0.596 2.174 1.00 0.00 H new ATOM 0 HG21 VAL A 86 14.020 -1.992 3.572 1.00 0.00 H new ATOM 0 HG22 VAL A 86 12.908 -0.827 2.815 1.00 0.00 H new ATOM 0 HG23 VAL A 86 12.877 -2.537 2.322 1.00 0.00 H new ATOM 1272 N GLU A 87 15.524 -1.807 -1.336 1.00 0.00 N ATOM 1273 CA GLU A 87 16.560 -1.669 -2.353 1.00 0.00 C ATOM 1274 C GLU A 87 16.037 -0.901 -3.563 1.00 0.00 C ATOM 1275 O GLU A 87 16.772 -0.142 -4.195 1.00 0.00 O ATOM 1276 CB GLU A 87 17.065 -3.046 -2.788 1.00 0.00 C ATOM 1277 CG GLU A 87 18.157 -3.606 -1.892 1.00 0.00 C ATOM 1278 CD GLU A 87 19.412 -2.754 -1.901 1.00 0.00 C ATOM 1279 OE1 GLU A 87 20.102 -2.725 -2.941 1.00 0.00 O ATOM 1280 OE2 GLU A 87 19.704 -2.117 -0.867 1.00 0.00 O ATOM 0 H GLU A 87 15.307 -2.771 -1.082 1.00 0.00 H new ATOM 0 HA GLU A 87 17.387 -1.107 -1.918 1.00 0.00 H new ATOM 0 HB2 GLU A 87 16.227 -3.743 -2.803 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.443 -2.979 -3.808 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.781 -3.682 -0.872 1.00 0.00 H new ATOM 0 HG3 GLU A 87 18.406 -4.616 -2.216 1.00 0.00 H new ATOM 1287 N ILE A 88 14.762 -1.104 -3.879 1.00 0.00 N ATOM 1288 CA ILE A 88 14.140 -0.431 -5.012 1.00 0.00 C ATOM 1289 C ILE A 88 14.008 1.067 -4.757 1.00 0.00 C ATOM 1290 O ILE A 88 14.280 1.885 -5.637 1.00 0.00 O ATOM 1291 CB ILE A 88 12.748 -1.013 -5.318 1.00 0.00 C ATOM 1292 CG1 ILE A 88 12.880 -2.387 -5.980 1.00 0.00 C ATOM 1293 CG2 ILE A 88 11.960 -0.064 -6.209 1.00 0.00 C ATOM 1294 CD1 ILE A 88 11.720 -3.313 -5.686 1.00 0.00 C ATOM 0 H ILE A 88 14.140 -1.729 -3.366 1.00 0.00 H new ATOM 0 HA ILE A 88 14.790 -0.595 -5.872 1.00 0.00 H new ATOM 0 HB ILE A 88 12.207 -1.132 -4.380 1.00 0.00 H new ATOM 0 HG12 ILE A 88 12.965 -2.255 -7.059 1.00 0.00 H new ATOM 0 HG13 ILE A 88 13.804 -2.857 -5.643 1.00 0.00 H new ATOM 0 HG21 ILE A 88 10.978 -0.490 -6.416 1.00 0.00 H new ATOM 0 HG22 ILE A 88 11.840 0.894 -5.704 1.00 0.00 H new ATOM 0 HG23 ILE A 88 12.496 0.084 -7.146 1.00 0.00 H new ATOM 0 HD11 ILE A 88 11.881 -4.268 -6.187 1.00 0.00 H new ATOM 0 HD12 ILE A 88 11.647 -3.475 -4.611 1.00 0.00 H new ATOM 0 HD13 ILE A 88 10.795 -2.864 -6.049 1.00 0.00 H new ATOM 1306 N LEU A 89 13.588 1.420 -3.547 1.00 0.00 N ATOM 1307 CA LEU A 89 13.421 2.820 -3.173 1.00 0.00 C ATOM 1308 C LEU A 89 14.774 3.505 -3.008 1.00 0.00 C ATOM 1309 O LEU A 89 14.888 4.722 -3.158 1.00 0.00 O ATOM 1310 CB LEU A 89 12.619 2.930 -1.875 1.00 0.00 C ATOM 1311 CG LEU A 89 11.102 3.038 -2.031 1.00 0.00 C ATOM 1312 CD1 LEU A 89 10.408 2.753 -0.708 1.00 0.00 C ATOM 1313 CD2 LEU A 89 10.716 4.414 -2.552 1.00 0.00 C ATOM 0 H LEU A 89 13.357 0.756 -2.808 1.00 0.00 H new ATOM 0 HA LEU A 89 12.876 3.321 -3.973 1.00 0.00 H new ATOM 0 HB2 LEU A 89 12.840 2.058 -1.260 1.00 0.00 H new ATOM 0 HB3 LEU A 89 12.971 3.804 -1.327 1.00 0.00 H new ATOM 0 HG LEU A 89 10.777 2.293 -2.757 1.00 0.00 H new ATOM 0 HD11 LEU A 89 9.329 2.834 -0.838 1.00 0.00 H new ATOM 0 HD12 LEU A 89 10.658 1.746 -0.375 1.00 0.00 H new ATOM 0 HD13 LEU A 89 10.739 3.474 0.039 1.00 0.00 H new ATOM 0 HD21 LEU A 89 9.633 4.473 -2.657 1.00 0.00 H new ATOM 0 HD22 LEU A 89 11.055 5.177 -1.851 1.00 0.00 H new ATOM 0 HD23 LEU A 89 11.184 4.580 -3.522 1.00 0.00 H new ATOM 1325 N LYS A 90 15.798 2.715 -2.701 1.00 0.00 N ATOM 1326 CA LYS A 90 17.144 3.244 -2.519 1.00 0.00 C ATOM 1327 C LYS A 90 17.853 3.400 -3.861 1.00 0.00 C ATOM 1328 O LYS A 90 18.635 4.330 -4.055 1.00 0.00 O ATOM 1329 CB LYS A 90 17.956 2.323 -1.606 1.00 0.00 C ATOM 1330 CG LYS A 90 17.506 2.354 -0.156 1.00 0.00 C ATOM 1331 CD LYS A 90 18.205 1.286 0.668 1.00 0.00 C ATOM 1332 CE LYS A 90 18.106 1.577 2.158 1.00 0.00 C ATOM 1333 NZ LYS A 90 19.162 2.525 2.609 1.00 0.00 N ATOM 0 H LYS A 90 15.721 1.706 -2.573 1.00 0.00 H new ATOM 0 HA LYS A 90 17.062 4.227 -2.055 1.00 0.00 H new ATOM 0 HB2 LYS A 90 17.884 1.301 -1.978 1.00 0.00 H new ATOM 0 HB3 LYS A 90 19.007 2.608 -1.658 1.00 0.00 H new ATOM 0 HG2 LYS A 90 17.713 3.336 0.269 1.00 0.00 H new ATOM 0 HG3 LYS A 90 16.427 2.206 -0.106 1.00 0.00 H new ATOM 0 HD2 LYS A 90 17.761 0.313 0.456 1.00 0.00 H new ATOM 0 HD3 LYS A 90 19.254 1.228 0.376 1.00 0.00 H new ATOM 0 HE2 LYS A 90 17.124 1.994 2.382 1.00 0.00 H new ATOM 0 HE3 LYS A 90 18.192 0.645 2.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 19.061 2.698 3.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 20.099 2.117 2.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 19.065 3.424 2.094 1.00 0.00 H new ATOM 1347 N ALA A 91 17.573 2.486 -4.783 1.00 0.00 N ATOM 1348 CA ALA A 91 18.181 2.525 -6.108 1.00 0.00 C ATOM 1349 C ALA A 91 17.504 3.566 -6.992 1.00 0.00 C ATOM 1350 O ALA A 91 18.138 4.161 -7.864 1.00 0.00 O ATOM 1351 CB ALA A 91 18.114 1.152 -6.760 1.00 0.00 C ATOM 0 H ALA A 91 16.929 1.709 -4.637 1.00 0.00 H new ATOM 0 HA ALA A 91 19.227 2.810 -5.993 1.00 0.00 H new ATOM 0 HB1 ALA A 91 18.571 1.196 -7.748 1.00 0.00 H new ATOM 0 HB2 ALA A 91 18.650 0.430 -6.144 1.00 0.00 H new ATOM 0 HB3 ALA A 91 17.072 0.845 -6.856 1.00 0.00 H new ATOM 1357 N VAL A 92 16.212 3.781 -6.763 1.00 0.00 N ATOM 1358 CA VAL A 92 15.449 4.751 -7.539 1.00 0.00 C ATOM 1359 C VAL A 92 16.182 6.086 -7.624 1.00 0.00 C ATOM 1360 O VAL A 92 16.695 6.605 -6.632 1.00 0.00 O ATOM 1361 CB VAL A 92 14.053 4.982 -6.931 1.00 0.00 C ATOM 1362 CG1 VAL A 92 14.158 5.772 -5.636 1.00 0.00 C ATOM 1363 CG2 VAL A 92 13.150 5.694 -7.928 1.00 0.00 C ATOM 0 H VAL A 92 15.672 3.296 -6.046 1.00 0.00 H new ATOM 0 HA VAL A 92 15.337 4.337 -8.541 1.00 0.00 H new ATOM 0 HB VAL A 92 13.611 4.013 -6.702 1.00 0.00 H new ATOM 0 HG11 VAL A 92 13.162 5.925 -5.221 1.00 0.00 H new ATOM 0 HG12 VAL A 92 14.767 5.219 -4.921 1.00 0.00 H new ATOM 0 HG13 VAL A 92 14.620 6.739 -5.836 1.00 0.00 H new ATOM 0 HG21 VAL A 92 12.167 5.849 -7.482 1.00 0.00 H new ATOM 0 HG22 VAL A 92 13.586 6.658 -8.190 1.00 0.00 H new ATOM 0 HG23 VAL A 92 13.049 5.085 -8.826 1.00 0.00 H new ATOM 1373 N PRO A 93 16.233 6.657 -8.836 1.00 0.00 N ATOM 1374 CA PRO A 93 16.899 7.939 -9.080 1.00 0.00 C ATOM 1375 C PRO A 93 16.151 9.110 -8.452 1.00 0.00 C ATOM 1376 O PRO A 93 14.953 9.036 -8.175 1.00 0.00 O ATOM 1377 CB PRO A 93 16.894 8.058 -10.606 1.00 0.00 C ATOM 1378 CG PRO A 93 15.737 7.228 -11.046 1.00 0.00 C ATOM 1379 CD PRO A 93 15.643 6.094 -10.063 1.00 0.00 C ATOM 0 HA PRO A 93 17.896 7.970 -8.640 1.00 0.00 H new ATOM 0 HB2 PRO A 93 16.780 9.095 -10.922 1.00 0.00 H new ATOM 0 HB3 PRO A 93 17.828 7.695 -11.035 1.00 0.00 H new ATOM 0 HG2 PRO A 93 14.818 7.814 -11.055 1.00 0.00 H new ATOM 0 HG3 PRO A 93 15.887 6.855 -12.059 1.00 0.00 H new ATOM 0 HD2 PRO A 93 14.610 5.783 -9.906 1.00 0.00 H new ATOM 0 HD3 PRO A 93 16.192 5.217 -10.407 1.00 0.00 H new ATOM 1387 N PRO A 94 16.870 10.218 -8.222 1.00 0.00 N ATOM 1388 CA PRO A 94 16.293 11.427 -7.625 1.00 0.00 C ATOM 1389 C PRO A 94 15.324 12.133 -8.567 1.00 0.00 C ATOM 1390 O PRO A 94 15.184 11.753 -9.729 1.00 0.00 O ATOM 1391 CB PRO A 94 17.516 12.308 -7.357 1.00 0.00 C ATOM 1392 CG PRO A 94 18.536 11.851 -8.342 1.00 0.00 C ATOM 1393 CD PRO A 94 18.302 10.378 -8.528 1.00 0.00 C ATOM 0 HA PRO A 94 15.709 11.202 -6.733 1.00 0.00 H new ATOM 0 HB2 PRO A 94 17.281 13.364 -7.492 1.00 0.00 H new ATOM 0 HB3 PRO A 94 17.873 12.189 -6.334 1.00 0.00 H new ATOM 0 HG2 PRO A 94 18.433 12.385 -9.287 1.00 0.00 H new ATOM 0 HG3 PRO A 94 19.545 12.043 -7.976 1.00 0.00 H new ATOM 0 HD2 PRO A 94 18.534 10.060 -9.544 1.00 0.00 H new ATOM 0 HD3 PRO A 94 18.925 9.785 -7.858 1.00 0.00 H new ATOM 1401 N GLY A 95 14.657 13.164 -8.059 1.00 0.00 N ATOM 1402 CA GLY A 95 13.710 13.907 -8.869 1.00 0.00 C ATOM 1403 C GLY A 95 12.281 13.448 -8.658 1.00 0.00 C ATOM 1404 O GLY A 95 11.986 12.733 -7.699 1.00 0.00 O ATOM 0 H GLY A 95 14.756 13.498 -7.100 1.00 0.00 H new ATOM 0 HA2 GLY A 95 13.787 14.968 -8.631 1.00 0.00 H new ATOM 0 HA3 GLY A 95 13.972 13.797 -9.921 1.00 0.00 H new ATOM 1408 N LEU A 96 11.391 13.859 -9.554 1.00 0.00 N ATOM 1409 CA LEU A 96 9.983 13.486 -9.462 1.00 0.00 C ATOM 1410 C LEU A 96 9.832 11.987 -9.225 1.00 0.00 C ATOM 1411 O LEU A 96 10.350 11.172 -9.988 1.00 0.00 O ATOM 1412 CB LEU A 96 9.243 13.890 -10.738 1.00 0.00 C ATOM 1413 CG LEU A 96 7.729 14.062 -10.610 1.00 0.00 C ATOM 1414 CD1 LEU A 96 7.064 12.727 -10.313 1.00 0.00 C ATOM 1415 CD2 LEU A 96 7.397 15.078 -9.527 1.00 0.00 C ATOM 0 H LEU A 96 11.619 14.451 -10.353 1.00 0.00 H new ATOM 0 HA LEU A 96 9.547 14.015 -8.615 1.00 0.00 H new ATOM 0 HB2 LEU A 96 9.666 14.828 -11.098 1.00 0.00 H new ATOM 0 HB3 LEU A 96 9.440 13.138 -11.502 1.00 0.00 H new ATOM 0 HG LEU A 96 7.343 14.434 -11.559 1.00 0.00 H new ATOM 0 HD11 LEU A 96 5.987 12.869 -10.225 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.273 12.028 -11.123 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.455 12.326 -9.378 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.315 15.187 -9.450 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.796 14.735 -8.572 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.842 16.040 -9.782 1.00 0.00 H new ATOM 1427 N VAL A 97 9.115 11.630 -8.163 1.00 0.00 N ATOM 1428 CA VAL A 97 8.892 10.229 -7.828 1.00 0.00 C ATOM 1429 C VAL A 97 7.420 9.857 -7.973 1.00 0.00 C ATOM 1430 O VAL A 97 6.582 10.271 -7.172 1.00 0.00 O ATOM 1431 CB VAL A 97 9.350 9.916 -6.391 1.00 0.00 C ATOM 1432 CG1 VAL A 97 9.050 8.468 -6.038 1.00 0.00 C ATOM 1433 CG2 VAL A 97 10.832 10.218 -6.227 1.00 0.00 C ATOM 0 H VAL A 97 8.679 12.292 -7.521 1.00 0.00 H new ATOM 0 HA VAL A 97 9.484 9.638 -8.527 1.00 0.00 H new ATOM 0 HB VAL A 97 8.794 10.554 -5.704 1.00 0.00 H new ATOM 0 HG11 VAL A 97 9.381 8.266 -5.019 1.00 0.00 H new ATOM 0 HG12 VAL A 97 7.977 8.290 -6.113 1.00 0.00 H new ATOM 0 HG13 VAL A 97 9.577 7.809 -6.728 1.00 0.00 H new ATOM 0 HG21 VAL A 97 11.139 9.991 -5.206 1.00 0.00 H new ATOM 0 HG22 VAL A 97 11.407 9.607 -6.923 1.00 0.00 H new ATOM 0 HG23 VAL A 97 11.014 11.273 -6.435 1.00 0.00 H new ATOM 1443 N HIS A 98 7.113 9.073 -9.001 1.00 0.00 N ATOM 1444 CA HIS A 98 5.741 8.643 -9.252 1.00 0.00 C ATOM 1445 C HIS A 98 5.473 7.284 -8.613 1.00 0.00 C ATOM 1446 O HIS A 98 5.844 6.245 -9.161 1.00 0.00 O ATOM 1447 CB HIS A 98 5.472 8.576 -10.755 1.00 0.00 C ATOM 1448 CG HIS A 98 5.290 9.919 -11.392 1.00 0.00 C ATOM 1449 ND1 HIS A 98 6.059 10.362 -12.447 1.00 0.00 N ATOM 1450 CD2 HIS A 98 4.419 10.918 -11.118 1.00 0.00 C ATOM 1451 CE1 HIS A 98 5.669 11.576 -12.794 1.00 0.00 C ATOM 1452 NE2 HIS A 98 4.675 11.936 -12.002 1.00 0.00 N ATOM 0 H HIS A 98 7.795 8.722 -9.674 1.00 0.00 H new ATOM 0 HA HIS A 98 5.069 9.374 -8.803 1.00 0.00 H new ATOM 0 HB2 HIS A 98 6.301 8.062 -11.241 1.00 0.00 H new ATOM 0 HB3 HIS A 98 4.579 7.976 -10.929 1.00 0.00 H new ATOM 0 HD2 HIS A 98 3.663 10.915 -10.347 1.00 0.00 H new ATOM 0 HE1 HIS A 98 6.091 12.172 -13.590 1.00 0.00 H new ATOM 0 HE2 HIS A 98 4.178 12.826 -12.041 1.00 0.00 H new ATOM 1461 N LEU A 99 4.828 7.298 -7.452 1.00 0.00 N ATOM 1462 CA LEU A 99 4.510 6.066 -6.738 1.00 0.00 C ATOM 1463 C LEU A 99 3.031 6.018 -6.366 1.00 0.00 C ATOM 1464 O LEU A 99 2.450 7.024 -5.960 1.00 0.00 O ATOM 1465 CB LEU A 99 5.369 5.948 -5.478 1.00 0.00 C ATOM 1466 CG LEU A 99 5.233 7.084 -4.464 1.00 0.00 C ATOM 1467 CD1 LEU A 99 4.134 6.774 -3.459 1.00 0.00 C ATOM 1468 CD2 LEU A 99 6.556 7.325 -3.752 1.00 0.00 C ATOM 0 H LEU A 99 4.515 8.149 -6.985 1.00 0.00 H new ATOM 0 HA LEU A 99 4.727 5.226 -7.398 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.120 5.011 -4.979 1.00 0.00 H new ATOM 0 HB3 LEU A 99 6.414 5.881 -5.780 1.00 0.00 H new ATOM 0 HG LEU A 99 4.961 7.993 -5.000 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.052 7.594 -2.745 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.186 6.652 -3.983 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.376 5.853 -2.928 1.00 0.00 H new ATOM 0 HD21 LEU A 99 6.440 8.137 -3.034 1.00 0.00 H new ATOM 0 HD22 LEU A 99 6.858 6.418 -3.228 1.00 0.00 H new ATOM 0 HD23 LEU A 99 7.319 7.593 -4.483 1.00 0.00 H new ATOM 1480 N GLY A 100 2.429 4.841 -6.505 1.00 0.00 N ATOM 1481 CA GLY A 100 1.024 4.683 -6.177 1.00 0.00 C ATOM 1482 C GLY A 100 0.807 4.295 -4.728 1.00 0.00 C ATOM 1483 O GLY A 100 1.645 3.623 -4.126 1.00 0.00 O ATOM 0 H GLY A 100 2.889 3.994 -6.839 1.00 0.00 H new ATOM 0 HA2 GLY A 100 0.499 5.616 -6.383 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.587 3.922 -6.823 1.00 0.00 H new ATOM 1487 N ILE A 101 -0.320 4.721 -4.166 1.00 0.00 N ATOM 1488 CA ILE A 101 -0.643 4.414 -2.779 1.00 0.00 C ATOM 1489 C ILE A 101 -2.067 3.883 -2.651 1.00 0.00 C ATOM 1490 O ILE A 101 -2.967 4.311 -3.374 1.00 0.00 O ATOM 1491 CB ILE A 101 -0.487 5.652 -1.877 1.00 0.00 C ATOM 1492 CG1 ILE A 101 0.904 6.267 -2.054 1.00 0.00 C ATOM 1493 CG2 ILE A 101 -0.726 5.281 -0.421 1.00 0.00 C ATOM 1494 CD1 ILE A 101 2.026 5.368 -1.584 1.00 0.00 C ATOM 0 H ILE A 101 -1.023 5.279 -4.650 1.00 0.00 H new ATOM 0 HA ILE A 101 0.060 3.647 -2.454 1.00 0.00 H new ATOM 0 HB ILE A 101 -1.232 6.392 -2.170 1.00 0.00 H new ATOM 0 HG12 ILE A 101 1.056 6.504 -3.107 1.00 0.00 H new ATOM 0 HG13 ILE A 101 0.949 7.208 -1.505 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -0.612 6.167 0.204 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -1.735 4.884 -0.307 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -0.003 4.526 -0.115 1.00 0.00 H new ATOM 0 HD11 ILE A 101 2.982 5.868 -1.740 1.00 0.00 H new ATOM 0 HD12 ILE A 101 1.898 5.151 -0.524 1.00 0.00 H new ATOM 0 HD13 ILE A 101 2.007 4.437 -2.150 1.00 0.00 H new ATOM 1506 N CYS A 102 -2.264 2.951 -1.725 1.00 0.00 N ATOM 1507 CA CYS A 102 -3.579 2.361 -1.501 1.00 0.00 C ATOM 1508 C CYS A 102 -4.112 2.729 -0.120 1.00 0.00 C ATOM 1509 O CYS A 102 -3.648 2.207 0.894 1.00 0.00 O ATOM 1510 CB CYS A 102 -3.511 0.841 -1.647 1.00 0.00 C ATOM 1511 SG CYS A 102 -3.730 0.251 -3.343 1.00 0.00 S ATOM 0 H CYS A 102 -1.530 2.588 -1.117 1.00 0.00 H new ATOM 0 HA CYS A 102 -4.261 2.760 -2.252 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -2.547 0.494 -1.275 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -4.277 0.391 -1.016 1.00 0.00 H new ATOM 0 HG CYS A 102 -3.654 -1.047 -3.364 1.00 0.00 H new ATOM 1517 N SER A 103 -5.087 3.631 -0.088 1.00 0.00 N ATOM 1518 CA SER A 103 -5.679 4.073 1.169 1.00 0.00 C ATOM 1519 C SER A 103 -5.906 2.891 2.107 1.00 0.00 C ATOM 1520 O SER A 103 -6.591 1.930 1.759 1.00 0.00 O ATOM 1521 CB SER A 103 -7.003 4.794 0.909 1.00 0.00 C ATOM 1522 OG SER A 103 -6.784 6.141 0.527 1.00 0.00 O ATOM 0 H SER A 103 -5.484 4.070 -0.918 1.00 0.00 H new ATOM 0 HA SER A 103 -4.985 4.765 1.645 1.00 0.00 H new ATOM 0 HB2 SER A 103 -7.555 4.276 0.125 1.00 0.00 H new ATOM 0 HB3 SER A 103 -7.620 4.763 1.807 1.00 0.00 H new ATOM 0 HG SER A 103 -7.645 6.579 0.365 1.00 0.00 H new ATOM 1528 N GLY A 104 -5.325 2.971 3.301 1.00 0.00 N ATOM 1529 CA GLY A 104 -5.475 1.903 4.272 1.00 0.00 C ATOM 1530 C GLY A 104 -5.895 2.413 5.636 1.00 0.00 C ATOM 1531 O GLY A 104 -6.470 3.494 5.768 1.00 0.00 O ATOM 0 H GLY A 104 -4.753 3.756 3.613 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -6.216 1.189 3.911 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -4.532 1.365 4.364 1.00 0.00 H new ATOM 1535 N PRO A 105 -5.607 1.625 6.682 1.00 0.00 N ATOM 1536 CA PRO A 105 -5.950 1.982 8.061 1.00 0.00 C ATOM 1537 C PRO A 105 -5.115 3.146 8.583 1.00 0.00 C ATOM 1538 O PRO A 105 -3.998 2.954 9.064 1.00 0.00 O ATOM 1539 CB PRO A 105 -5.639 0.706 8.846 1.00 0.00 C ATOM 1540 CG PRO A 105 -4.608 0.003 8.033 1.00 0.00 C ATOM 1541 CD PRO A 105 -4.923 0.323 6.598 1.00 0.00 C ATOM 0 HA PRO A 105 -6.985 2.312 8.151 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -5.267 0.936 9.844 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -6.530 0.092 8.972 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -3.606 0.341 8.297 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -4.639 -1.072 8.209 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -4.019 0.382 5.992 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -5.560 -0.438 6.147 1.00 0.00 H new ATOM 1549 N SER A 106 -5.664 4.353 8.486 1.00 0.00 N ATOM 1550 CA SER A 106 -4.967 5.549 8.946 1.00 0.00 C ATOM 1551 C SER A 106 -5.806 6.305 9.972 1.00 0.00 C ATOM 1552 O SER A 106 -6.983 6.005 10.170 1.00 0.00 O ATOM 1553 CB SER A 106 -4.642 6.462 7.763 1.00 0.00 C ATOM 1554 OG SER A 106 -3.381 6.141 7.202 1.00 0.00 O ATOM 0 H SER A 106 -6.589 4.529 8.093 1.00 0.00 H new ATOM 0 HA SER A 106 -4.037 5.238 9.421 1.00 0.00 H new ATOM 0 HB2 SER A 106 -5.417 6.366 7.002 1.00 0.00 H new ATOM 0 HB3 SER A 106 -4.644 7.502 8.091 1.00 0.00 H new ATOM 0 HG SER A 106 -3.197 6.738 6.447 1.00 0.00 H new ATOM 1560 N SER A 107 -5.190 7.288 10.621 1.00 0.00 N ATOM 1561 CA SER A 107 -5.878 8.087 11.629 1.00 0.00 C ATOM 1562 C SER A 107 -6.763 9.143 10.975 1.00 0.00 C ATOM 1563 O SER A 107 -6.608 9.454 9.795 1.00 0.00 O ATOM 1564 CB SER A 107 -4.864 8.758 12.557 1.00 0.00 C ATOM 1565 OG SER A 107 -4.014 9.633 11.836 1.00 0.00 O ATOM 0 H SER A 107 -4.216 7.550 10.467 1.00 0.00 H new ATOM 0 HA SER A 107 -6.511 7.421 12.215 1.00 0.00 H new ATOM 0 HB2 SER A 107 -5.389 9.314 13.333 1.00 0.00 H new ATOM 0 HB3 SER A 107 -4.266 7.997 13.059 1.00 0.00 H new ATOM 0 HG SER A 107 -3.376 10.051 12.452 1.00 0.00 H new ATOM 1571 N GLY A 108 -7.692 9.692 11.752 1.00 0.00 N ATOM 1572 CA GLY A 108 -8.589 10.707 11.232 1.00 0.00 C ATOM 1573 C GLY A 108 -8.395 12.051 11.906 1.00 0.00 C ATOM 1574 O GLY A 108 -9.297 12.552 12.577 1.00 0.00 O ATOM 0 H GLY A 108 -7.839 9.452 12.732 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -8.428 10.815 10.159 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -9.620 10.381 11.368 1.00 0.00 H new TER 1578 GLY A 108