USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 799 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 35 HIS : no HD1:sc= -2.79! C(o=-2.8!,f=-3.2!) USER MOD Set 1.2: A 37 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 2 SER OG : rot 180:sc= -0.0946 USER MOD Set 2.2: A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=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 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 35:sc= 0.109 USER MOD Single : A 12 SER OG : rot 180:sc= -0.468 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.205 X(o=-0.2,f=0.27) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0.011) USER MOD Single : A 20 SER OG : rot -45:sc= 0.628 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 CYS SG : rot 150:sc= 0 USER MOD Single : A 28 SER OG : rot 90:sc= -0.76 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 HIS : no HE2:sc= -0.698 K(o=-0.7,f=-3.6!) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 41 ASN :FLIP amide:sc= -3.36! C(o=-6.5!,f=-3.4!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.015) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 50:sc= 0.345 USER MOD Single : A 55 CYS SG : rot 84:sc= 0.91 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS :FLIP no HD1:sc= -1.34 F(o=-1.9,f=-1.3) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot -78:sc= -0.738 USER MOD Single : A 73 HIS : no HD1:sc= -3.47! C(o=-3.5!,f=-4.6!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ -152:sc= -0.103 (180deg=-0.737) USER MOD Single : A 85 SER OG : rot 180:sc= -0.254 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -150:sc= -1.04 (180deg=-4.19!) USER MOD Single : A 91 HIS : no HD1:sc= 0.552 K(o=0.55,f=-2.7!) USER MOD Single : A 98 SER OG : rot 73:sc= 1.13 USER MOD Single : A 100 SER OG : rot -58:sc= -0.581! USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= -0.123 USER MOD Single : A 106 SER OG : rot 30:sc= 0.43 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.542 -20.304 11.634 1.00 0.00 N ATOM 2 CA GLY A 1 -6.735 -19.652 12.142 1.00 0.00 C ATOM 3 C GLY A 1 -7.738 -20.638 12.706 1.00 0.00 C ATOM 4 O GLY A 1 -8.227 -21.514 11.993 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.888 -19.588 11.260 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.078 -20.828 12.403 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.804 -20.964 10.874 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.454 -18.940 12.918 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.203 -19.081 11.340 1.00 0.00 H new ATOM 8 N SER A 2 -8.045 -20.498 13.992 1.00 0.00 N ATOM 9 CA SER A 2 -8.993 -21.387 14.653 1.00 0.00 C ATOM 10 C SER A 2 -10.116 -20.591 15.311 1.00 0.00 C ATOM 11 O SER A 2 -11.292 -20.932 15.180 1.00 0.00 O ATOM 12 CB SER A 2 -8.277 -22.242 15.701 1.00 0.00 C ATOM 13 OG SER A 2 -7.803 -21.445 16.772 1.00 0.00 O ATOM 0 H SER A 2 -7.651 -19.777 14.597 1.00 0.00 H new ATOM 0 HA SER A 2 -9.429 -22.040 13.897 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.959 -23.001 16.083 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.442 -22.768 15.237 1.00 0.00 H new ATOM 0 HG SER A 2 -7.351 -22.015 17.429 1.00 0.00 H new ATOM 19 N SER A 3 -9.745 -19.530 16.020 1.00 0.00 N ATOM 20 CA SER A 3 -10.719 -18.687 16.702 1.00 0.00 C ATOM 21 C SER A 3 -10.993 -17.416 15.903 1.00 0.00 C ATOM 22 O SER A 3 -10.389 -17.186 14.856 1.00 0.00 O ATOM 23 CB SER A 3 -10.221 -18.325 18.102 1.00 0.00 C ATOM 24 OG SER A 3 -10.061 -19.484 18.902 1.00 0.00 O ATOM 0 H SER A 3 -8.776 -19.234 16.137 1.00 0.00 H new ATOM 0 HA SER A 3 -11.649 -19.248 16.789 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.271 -17.796 18.028 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.928 -17.645 18.578 1.00 0.00 H new ATOM 0 HG SER A 3 -9.740 -19.226 19.791 1.00 0.00 H new ATOM 30 N GLY A 4 -11.908 -16.593 16.406 1.00 0.00 N ATOM 31 CA GLY A 4 -12.246 -15.356 15.728 1.00 0.00 C ATOM 32 C GLY A 4 -11.061 -14.420 15.604 1.00 0.00 C ATOM 33 O GLY A 4 -10.012 -14.800 15.084 1.00 0.00 O ATOM 0 H GLY A 4 -12.421 -16.761 17.271 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.631 -15.584 14.734 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.046 -14.854 16.272 1.00 0.00 H new ATOM 37 N SER A 5 -11.227 -13.191 16.082 1.00 0.00 N ATOM 38 CA SER A 5 -10.164 -12.195 16.018 1.00 0.00 C ATOM 39 C SER A 5 -10.324 -11.156 17.124 1.00 0.00 C ATOM 40 O SER A 5 -11.434 -10.893 17.587 1.00 0.00 O ATOM 41 CB SER A 5 -10.163 -11.506 14.652 1.00 0.00 C ATOM 42 OG SER A 5 -11.243 -10.596 14.539 1.00 0.00 O ATOM 0 H SER A 5 -12.088 -12.861 16.518 1.00 0.00 H new ATOM 0 HA SER A 5 -9.212 -12.707 16.160 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.221 -10.977 14.509 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.231 -12.255 13.863 1.00 0.00 H new ATOM 0 HG SER A 5 -11.219 -10.168 13.658 1.00 0.00 H new ATOM 48 N SER A 6 -9.208 -10.568 17.542 1.00 0.00 N ATOM 49 CA SER A 6 -9.223 -9.561 18.596 1.00 0.00 C ATOM 50 C SER A 6 -8.931 -8.175 18.027 1.00 0.00 C ATOM 51 O SER A 6 -9.715 -7.243 18.199 1.00 0.00 O ATOM 52 CB SER A 6 -8.197 -9.907 19.677 1.00 0.00 C ATOM 53 OG SER A 6 -8.686 -10.922 20.537 1.00 0.00 O ATOM 0 H SER A 6 -8.282 -10.772 17.167 1.00 0.00 H new ATOM 0 HA SER A 6 -10.218 -9.551 19.040 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.269 -10.237 19.210 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.962 -9.015 20.258 1.00 0.00 H new ATOM 0 HG SER A 6 -8.012 -11.127 21.218 1.00 0.00 H new ATOM 59 N GLY A 7 -7.794 -8.049 17.348 1.00 0.00 N ATOM 60 CA GLY A 7 -7.417 -6.775 16.764 1.00 0.00 C ATOM 61 C GLY A 7 -7.855 -6.647 15.319 1.00 0.00 C ATOM 62 O GLY A 7 -8.912 -6.084 15.029 1.00 0.00 O ATOM 0 H GLY A 7 -7.128 -8.806 17.192 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.858 -5.967 17.347 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.335 -6.657 16.824 1.00 0.00 H new ATOM 66 N LEU A 8 -7.041 -7.169 14.408 1.00 0.00 N ATOM 67 CA LEU A 8 -7.349 -7.110 12.983 1.00 0.00 C ATOM 68 C LEU A 8 -7.847 -5.723 12.591 1.00 0.00 C ATOM 69 O LEU A 8 -8.843 -5.589 11.880 1.00 0.00 O ATOM 70 CB LEU A 8 -8.400 -8.162 12.624 1.00 0.00 C ATOM 71 CG LEU A 8 -8.620 -8.409 11.131 1.00 0.00 C ATOM 72 CD1 LEU A 8 -7.605 -9.410 10.601 1.00 0.00 C ATOM 73 CD2 LEU A 8 -10.038 -8.899 10.875 1.00 0.00 C ATOM 0 H LEU A 8 -6.163 -7.638 14.630 1.00 0.00 H new ATOM 0 HA LEU A 8 -6.433 -7.317 12.430 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -8.115 -9.105 13.090 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -9.350 -7.863 13.066 1.00 0.00 H new ATOM 0 HG LEU A 8 -8.481 -7.466 10.602 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.777 -9.574 9.537 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.598 -9.021 10.750 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -7.712 -10.354 11.135 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -10.177 -9.070 9.807 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -10.204 -9.831 11.416 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -10.750 -8.148 11.218 1.00 0.00 H new ATOM 85 N GLU A 9 -7.147 -4.694 13.057 1.00 0.00 N ATOM 86 CA GLU A 9 -7.518 -3.317 12.754 1.00 0.00 C ATOM 87 C GLU A 9 -6.748 -2.801 11.541 1.00 0.00 C ATOM 88 O GLU A 9 -7.340 -2.438 10.524 1.00 0.00 O ATOM 89 CB GLU A 9 -7.252 -2.416 13.961 1.00 0.00 C ATOM 90 CG GLU A 9 -7.952 -1.069 13.881 1.00 0.00 C ATOM 91 CD GLU A 9 -7.801 -0.257 15.153 1.00 0.00 C ATOM 92 OE1 GLU A 9 -6.688 -0.241 15.719 1.00 0.00 O ATOM 93 OE2 GLU A 9 -8.796 0.364 15.581 1.00 0.00 O ATOM 0 H GLU A 9 -6.320 -4.788 13.646 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.583 -3.297 12.523 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -7.575 -2.931 14.866 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -6.178 -2.253 14.053 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -7.547 -0.502 13.042 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.011 -1.226 13.678 1.00 0.00 H new ATOM 100 N THR A 10 -5.424 -2.771 11.657 1.00 0.00 N ATOM 101 CA THR A 10 -4.573 -2.298 10.572 1.00 0.00 C ATOM 102 C THR A 10 -3.562 -3.363 10.163 1.00 0.00 C ATOM 103 O THR A 10 -2.415 -3.053 9.840 1.00 0.00 O ATOM 104 CB THR A 10 -3.818 -1.015 10.969 1.00 0.00 C ATOM 105 OG1 THR A 10 -2.992 -1.267 12.112 1.00 0.00 O ATOM 106 CG2 THR A 10 -4.791 0.112 11.279 1.00 0.00 C ATOM 0 H THR A 10 -4.918 -3.069 12.491 1.00 0.00 H new ATOM 0 HA THR A 10 -5.228 -2.079 9.729 1.00 0.00 H new ATOM 0 HB THR A 10 -3.193 -0.713 10.129 1.00 0.00 H new ATOM 0 HG1 THR A 10 -2.514 -0.447 12.357 1.00 0.00 H new ATOM 0 HG21 THR A 10 -4.234 1.007 11.557 1.00 0.00 H new ATOM 0 HG22 THR A 10 -5.398 0.321 10.398 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.439 -0.183 12.105 1.00 0.00 H new ATOM 114 N SER A 11 -3.995 -4.620 10.178 1.00 0.00 N ATOM 115 CA SER A 11 -3.125 -5.732 9.810 1.00 0.00 C ATOM 116 C SER A 11 -3.943 -6.986 9.515 1.00 0.00 C ATOM 117 O SER A 11 -4.716 -7.448 10.354 1.00 0.00 O ATOM 118 CB SER A 11 -2.123 -6.015 10.931 1.00 0.00 C ATOM 119 OG SER A 11 -2.779 -6.147 12.180 1.00 0.00 O ATOM 0 H SER A 11 -4.942 -4.894 10.441 1.00 0.00 H new ATOM 0 HA SER A 11 -2.581 -5.453 8.908 1.00 0.00 H new ATOM 0 HB2 SER A 11 -1.572 -6.928 10.708 1.00 0.00 H new ATOM 0 HB3 SER A 11 -1.393 -5.207 10.983 1.00 0.00 H new ATOM 0 HG SER A 11 -3.649 -6.579 12.049 1.00 0.00 H new ATOM 125 N SER A 12 -3.766 -7.531 8.316 1.00 0.00 N ATOM 126 CA SER A 12 -4.490 -8.729 7.907 1.00 0.00 C ATOM 127 C SER A 12 -3.830 -9.373 6.691 1.00 0.00 C ATOM 128 O SER A 12 -3.608 -8.720 5.672 1.00 0.00 O ATOM 129 CB SER A 12 -5.947 -8.387 7.589 1.00 0.00 C ATOM 130 OG SER A 12 -6.727 -9.562 7.447 1.00 0.00 O ATOM 0 H SER A 12 -3.128 -7.162 7.611 1.00 0.00 H new ATOM 0 HA SER A 12 -4.463 -9.440 8.733 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.360 -7.766 8.384 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.994 -7.802 6.671 1.00 0.00 H new ATOM 0 HG SER A 12 -7.654 -9.317 7.246 1.00 0.00 H new ATOM 136 N TYR A 13 -3.519 -10.660 6.807 1.00 0.00 N ATOM 137 CA TYR A 13 -2.883 -11.393 5.720 1.00 0.00 C ATOM 138 C TYR A 13 -3.521 -11.043 4.379 1.00 0.00 C ATOM 139 O TYR A 13 -4.610 -11.518 4.053 1.00 0.00 O ATOM 140 CB TYR A 13 -2.982 -12.900 5.966 1.00 0.00 C ATOM 141 CG TYR A 13 -2.632 -13.307 7.380 1.00 0.00 C ATOM 142 CD1 TYR A 13 -3.590 -13.296 8.385 1.00 0.00 C ATOM 143 CD2 TYR A 13 -1.341 -13.703 7.709 1.00 0.00 C ATOM 144 CE1 TYR A 13 -3.274 -13.666 9.678 1.00 0.00 C ATOM 145 CE2 TYR A 13 -1.016 -14.076 8.999 1.00 0.00 C ATOM 146 CZ TYR A 13 -1.986 -14.056 9.980 1.00 0.00 C ATOM 147 OH TYR A 13 -1.667 -14.427 11.266 1.00 0.00 O ATOM 0 H TYR A 13 -3.697 -11.216 7.643 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.832 -11.104 5.688 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.996 -13.230 5.742 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.318 -13.417 5.273 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -4.600 -12.993 8.152 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.579 -13.719 6.944 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -4.031 -13.650 10.448 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.008 -14.382 9.238 1.00 0.00 H new ATOM 0 HH TYR A 13 -0.720 -14.675 11.310 1.00 0.00 H new ATOM 157 N LEU A 14 -2.836 -10.208 3.606 1.00 0.00 N ATOM 158 CA LEU A 14 -3.333 -9.793 2.299 1.00 0.00 C ATOM 159 C LEU A 14 -2.511 -10.420 1.178 1.00 0.00 C ATOM 160 O LEU A 14 -1.381 -10.856 1.394 1.00 0.00 O ATOM 161 CB LEU A 14 -3.300 -8.268 2.180 1.00 0.00 C ATOM 162 CG LEU A 14 -4.462 -7.518 2.831 1.00 0.00 C ATOM 163 CD1 LEU A 14 -4.315 -6.019 2.619 1.00 0.00 C ATOM 164 CD2 LEU A 14 -5.791 -8.009 2.276 1.00 0.00 C ATOM 0 H LEU A 14 -1.935 -9.805 3.862 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.363 -10.137 2.204 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.370 -7.909 2.621 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.273 -8.007 1.122 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.443 -7.716 3.903 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.151 -5.501 3.089 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.380 -5.678 3.065 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.308 -5.802 1.551 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.607 -7.464 2.751 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.820 -7.841 1.199 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.899 -9.074 2.480 1.00 0.00 H new ATOM 176 N ASN A 15 -3.085 -10.461 -0.019 1.00 0.00 N ATOM 177 CA ASN A 15 -2.405 -11.033 -1.175 1.00 0.00 C ATOM 178 C ASN A 15 -1.844 -9.936 -2.075 1.00 0.00 C ATOM 179 O ASN A 15 -2.591 -9.240 -2.762 1.00 0.00 O ATOM 180 CB ASN A 15 -3.364 -11.920 -1.971 1.00 0.00 C ATOM 181 CG ASN A 15 -3.395 -13.346 -1.457 1.00 0.00 C ATOM 182 OD1 ASN A 15 -2.352 -13.948 -1.201 1.00 0.00 O ATOM 183 ND2 ASN A 15 -4.595 -13.894 -1.303 1.00 0.00 N ATOM 0 H ASN A 15 -4.021 -10.105 -0.214 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.576 -11.640 -0.812 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.368 -11.498 -1.924 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.067 -11.921 -3.020 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.678 -14.851 -0.960 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -5.433 -13.358 -1.528 1.00 0.00 H new ATOM 190 N VAL A 16 -0.523 -9.789 -2.066 1.00 0.00 N ATOM 191 CA VAL A 16 0.139 -8.778 -2.882 1.00 0.00 C ATOM 192 C VAL A 16 0.597 -9.361 -4.214 1.00 0.00 C ATOM 193 O VAL A 16 1.506 -10.190 -4.263 1.00 0.00 O ATOM 194 CB VAL A 16 1.356 -8.176 -2.153 1.00 0.00 C ATOM 195 CG1 VAL A 16 2.080 -7.185 -3.051 1.00 0.00 C ATOM 196 CG2 VAL A 16 0.924 -7.514 -0.853 1.00 0.00 C ATOM 0 H VAL A 16 0.110 -10.357 -1.503 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.592 -7.991 -3.065 1.00 0.00 H new ATOM 0 HB VAL A 16 2.048 -8.982 -1.911 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.936 -6.770 -2.519 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.424 -7.694 -3.952 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.399 -6.379 -3.327 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.796 -7.094 -0.351 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.212 -6.718 -1.069 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.455 -8.255 -0.206 1.00 0.00 H new ATOM 206 N LEU A 17 -0.039 -8.922 -5.295 1.00 0.00 N ATOM 207 CA LEU A 17 0.302 -9.399 -6.630 1.00 0.00 C ATOM 208 C LEU A 17 1.812 -9.544 -6.787 1.00 0.00 C ATOM 209 O LEU A 17 2.572 -8.632 -6.461 1.00 0.00 O ATOM 210 CB LEU A 17 -0.242 -8.440 -7.691 1.00 0.00 C ATOM 211 CG LEU A 17 -0.375 -9.008 -9.104 1.00 0.00 C ATOM 212 CD1 LEU A 17 -1.337 -10.185 -9.119 1.00 0.00 C ATOM 213 CD2 LEU A 17 -0.836 -7.928 -10.072 1.00 0.00 C ATOM 0 H LEU A 17 -0.794 -8.236 -5.273 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.155 -10.379 -6.766 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.223 -8.091 -7.368 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.410 -7.567 -7.732 1.00 0.00 H new ATOM 0 HG LEU A 17 0.604 -9.362 -9.425 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.418 -10.576 -10.133 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.965 -10.967 -8.458 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.319 -9.857 -8.777 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.925 -8.350 -11.073 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.805 -7.543 -9.753 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.109 -7.116 -10.084 1.00 0.00 H new ATOM 225 N VAL A 18 2.242 -10.697 -7.291 1.00 0.00 N ATOM 226 CA VAL A 18 3.661 -10.961 -7.495 1.00 0.00 C ATOM 227 C VAL A 18 3.894 -11.757 -8.774 1.00 0.00 C ATOM 228 O VAL A 18 3.440 -12.893 -8.901 1.00 0.00 O ATOM 229 CB VAL A 18 4.265 -11.732 -6.306 1.00 0.00 C ATOM 230 CG1 VAL A 18 5.606 -12.340 -6.690 1.00 0.00 C ATOM 231 CG2 VAL A 18 4.410 -10.819 -5.098 1.00 0.00 C ATOM 0 H VAL A 18 1.627 -11.463 -7.565 1.00 0.00 H new ATOM 0 HA VAL A 18 4.154 -9.993 -7.579 1.00 0.00 H new ATOM 0 HB VAL A 18 3.588 -12.544 -6.040 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.018 -12.881 -5.838 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.468 -13.028 -7.524 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.294 -11.547 -6.984 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.838 -11.380 -4.267 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.066 -9.985 -5.349 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.430 -10.437 -4.811 1.00 0.00 H new ATOM 241 N ASN A 19 4.606 -11.152 -9.720 1.00 0.00 N ATOM 242 CA ASN A 19 4.899 -11.805 -10.991 1.00 0.00 C ATOM 243 C ASN A 19 3.632 -12.387 -11.609 1.00 0.00 C ATOM 244 O ASN A 19 3.632 -13.512 -12.107 1.00 0.00 O ATOM 245 CB ASN A 19 5.937 -12.911 -10.792 1.00 0.00 C ATOM 246 CG ASN A 19 6.808 -13.114 -12.017 1.00 0.00 C ATOM 247 OD1 ASN A 19 6.310 -13.194 -13.139 1.00 0.00 O ATOM 248 ND2 ASN A 19 8.116 -13.199 -11.805 1.00 0.00 N ATOM 0 H ASN A 19 4.990 -10.211 -9.630 1.00 0.00 H new ATOM 0 HA ASN A 19 5.302 -11.055 -11.672 1.00 0.00 H new ATOM 0 HB2 ASN A 19 6.568 -12.664 -9.938 1.00 0.00 H new ATOM 0 HB3 ASN A 19 5.428 -13.845 -10.553 1.00 0.00 H new ATOM 0 HD21 ASN A 19 8.752 -13.336 -12.590 1.00 0.00 H new ATOM 0 HD22 ASN A 19 8.485 -13.127 -10.857 1.00 0.00 H new ATOM 255 N SER A 20 2.553 -11.611 -11.574 1.00 0.00 N ATOM 256 CA SER A 20 1.277 -12.050 -12.128 1.00 0.00 C ATOM 257 C SER A 20 0.691 -13.192 -11.303 1.00 0.00 C ATOM 258 O SER A 20 -0.090 -13.998 -11.807 1.00 0.00 O ATOM 259 CB SER A 20 1.455 -12.495 -13.581 1.00 0.00 C ATOM 260 OG SER A 20 0.201 -12.733 -14.198 1.00 0.00 O ATOM 0 H SER A 20 2.537 -10.675 -11.168 1.00 0.00 H new ATOM 0 HA SER A 20 0.585 -11.208 -12.095 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.997 -11.729 -14.136 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.059 -13.402 -13.616 1.00 0.00 H new ATOM 0 HG SER A 20 -0.370 -13.248 -13.591 1.00 0.00 H new ATOM 266 N GLN A 21 1.074 -13.252 -10.032 1.00 0.00 N ATOM 267 CA GLN A 21 0.588 -14.295 -9.137 1.00 0.00 C ATOM 268 C GLN A 21 0.404 -13.756 -7.722 1.00 0.00 C ATOM 269 O GLN A 21 1.326 -13.184 -7.140 1.00 0.00 O ATOM 270 CB GLN A 21 1.557 -15.478 -9.122 1.00 0.00 C ATOM 271 CG GLN A 21 1.275 -16.510 -10.202 1.00 0.00 C ATOM 272 CD GLN A 21 0.321 -17.593 -9.739 1.00 0.00 C ATOM 273 OE1 GLN A 21 0.716 -18.527 -9.041 1.00 0.00 O ATOM 274 NE2 GLN A 21 -0.943 -17.474 -10.127 1.00 0.00 N ATOM 0 H GLN A 21 1.719 -12.591 -9.599 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.380 -14.633 -9.507 1.00 0.00 H new ATOM 0 HB2 GLN A 21 2.574 -15.105 -9.244 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.510 -15.963 -8.147 1.00 0.00 H new ATOM 0 HG2 GLN A 21 0.856 -16.011 -11.076 1.00 0.00 H new ATOM 0 HG3 GLN A 21 2.213 -16.967 -10.516 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -1.227 -16.683 -10.705 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -1.631 -18.173 -9.847 1.00 0.00 H new ATOM 283 N TRP A 22 -0.792 -13.941 -7.175 1.00 0.00 N ATOM 284 CA TRP A 22 -1.097 -13.472 -5.828 1.00 0.00 C ATOM 285 C TRP A 22 -0.390 -14.326 -4.781 1.00 0.00 C ATOM 286 O TRP A 22 -0.647 -15.525 -4.666 1.00 0.00 O ATOM 287 CB TRP A 22 -2.607 -13.495 -5.587 1.00 0.00 C ATOM 288 CG TRP A 22 -3.375 -12.638 -6.547 1.00 0.00 C ATOM 289 CD1 TRP A 22 -3.914 -13.025 -7.741 1.00 0.00 C ATOM 290 CD2 TRP A 22 -3.687 -11.248 -6.396 1.00 0.00 C ATOM 291 NE1 TRP A 22 -4.542 -11.960 -8.340 1.00 0.00 N ATOM 292 CE2 TRP A 22 -4.418 -10.859 -7.535 1.00 0.00 C ATOM 293 CE3 TRP A 22 -3.421 -10.297 -5.407 1.00 0.00 C ATOM 294 CZ2 TRP A 22 -4.884 -9.559 -7.711 1.00 0.00 C ATOM 295 CZ3 TRP A 22 -3.884 -9.007 -5.584 1.00 0.00 C ATOM 296 CH2 TRP A 22 -4.609 -8.647 -6.728 1.00 0.00 C ATOM 0 H TRP A 22 -1.566 -14.412 -7.643 1.00 0.00 H new ATOM 0 HA TRP A 22 -0.737 -12.447 -5.737 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -2.964 -14.522 -5.662 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -2.810 -13.161 -4.570 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -3.855 -14.021 -8.153 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -5.023 -11.985 -9.239 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -2.864 -10.565 -4.521 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -5.443 -9.280 -8.592 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -3.684 -8.263 -4.827 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -4.957 -7.630 -6.836 1.00 0.00 H new ATOM 307 N LYS A 23 0.502 -13.703 -4.019 1.00 0.00 N ATOM 308 CA LYS A 23 1.246 -14.405 -2.980 1.00 0.00 C ATOM 309 C LYS A 23 0.800 -13.955 -1.593 1.00 0.00 C ATOM 310 O LYS A 23 0.100 -12.952 -1.450 1.00 0.00 O ATOM 311 CB LYS A 23 2.748 -14.164 -3.148 1.00 0.00 C ATOM 312 CG LYS A 23 3.258 -14.457 -4.548 1.00 0.00 C ATOM 313 CD LYS A 23 3.542 -15.937 -4.741 1.00 0.00 C ATOM 314 CE LYS A 23 2.341 -16.663 -5.328 1.00 0.00 C ATOM 315 NZ LYS A 23 2.447 -18.138 -5.158 1.00 0.00 N ATOM 0 H LYS A 23 0.728 -12.712 -4.102 1.00 0.00 H new ATOM 0 HA LYS A 23 1.042 -15.471 -3.080 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.971 -13.127 -2.899 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.289 -14.786 -2.436 1.00 0.00 H new ATOM 0 HG2 LYS A 23 2.521 -14.129 -5.281 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.167 -13.884 -4.732 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.401 -16.061 -5.400 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.807 -16.386 -3.784 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.430 -16.307 -4.847 1.00 0.00 H new ATOM 0 HE3 LYS A 23 2.255 -16.425 -6.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.610 -18.596 -5.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.302 -18.482 -5.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.503 -18.368 -4.145 1.00 0.00 H new ATOM 329 N SER A 24 1.211 -14.701 -0.573 1.00 0.00 N ATOM 330 CA SER A 24 0.852 -14.380 0.804 1.00 0.00 C ATOM 331 C SER A 24 1.867 -13.423 1.421 1.00 0.00 C ATOM 332 O SER A 24 2.965 -13.828 1.802 1.00 0.00 O ATOM 333 CB SER A 24 0.762 -15.657 1.641 1.00 0.00 C ATOM 334 OG SER A 24 -0.077 -16.615 1.022 1.00 0.00 O ATOM 0 H SER A 24 1.793 -15.532 -0.674 1.00 0.00 H new ATOM 0 HA SER A 24 -0.122 -13.891 0.795 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.759 -16.077 1.778 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.377 -15.419 2.633 1.00 0.00 H new ATOM 0 HG SER A 24 -0.116 -17.422 1.576 1.00 0.00 H new ATOM 340 N ARG A 25 1.492 -12.152 1.515 1.00 0.00 N ATOM 341 CA ARG A 25 2.369 -11.136 2.085 1.00 0.00 C ATOM 342 C ARG A 25 1.697 -10.435 3.262 1.00 0.00 C ATOM 343 O ARG A 25 0.478 -10.268 3.284 1.00 0.00 O ATOM 344 CB ARG A 25 2.755 -10.109 1.019 1.00 0.00 C ATOM 345 CG ARG A 25 3.389 -8.850 1.587 1.00 0.00 C ATOM 346 CD ARG A 25 4.847 -9.078 1.955 1.00 0.00 C ATOM 347 NE ARG A 25 5.696 -9.209 0.774 1.00 0.00 N ATOM 348 CZ ARG A 25 5.986 -10.373 0.203 1.00 0.00 C ATOM 349 NH1 ARG A 25 5.498 -11.500 0.702 1.00 0.00 N ATOM 350 NH2 ARG A 25 6.766 -10.411 -0.870 1.00 0.00 N ATOM 0 H ARG A 25 0.586 -11.801 1.204 1.00 0.00 H new ATOM 0 HA ARG A 25 3.270 -11.631 2.446 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.450 -10.570 0.317 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.865 -9.834 0.453 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.319 -8.044 0.856 1.00 0.00 H new ATOM 0 HG3 ARG A 25 2.836 -8.529 2.470 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.201 -8.247 2.565 1.00 0.00 H new ATOM 0 HD3 ARG A 25 4.931 -9.979 2.563 1.00 0.00 H new ATOM 0 HE ARG A 25 6.088 -8.361 0.365 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.898 -11.475 1.527 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.722 -12.392 0.261 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.143 -9.546 -1.257 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.988 -11.305 -1.308 1.00 0.00 H new ATOM 364 N TRP A 26 2.501 -10.029 4.238 1.00 0.00 N ATOM 365 CA TRP A 26 1.984 -9.347 5.419 1.00 0.00 C ATOM 366 C TRP A 26 1.995 -7.835 5.223 1.00 0.00 C ATOM 367 O TRP A 26 3.044 -7.196 5.314 1.00 0.00 O ATOM 368 CB TRP A 26 2.809 -9.720 6.651 1.00 0.00 C ATOM 369 CG TRP A 26 2.158 -9.329 7.943 1.00 0.00 C ATOM 370 CD1 TRP A 26 1.832 -8.066 8.348 1.00 0.00 C ATOM 371 CD2 TRP A 26 1.756 -10.208 9.000 1.00 0.00 C ATOM 372 NE1 TRP A 26 1.251 -8.107 9.593 1.00 0.00 N ATOM 373 CE2 TRP A 26 1.192 -9.409 10.014 1.00 0.00 C ATOM 374 CE3 TRP A 26 1.815 -11.591 9.187 1.00 0.00 C ATOM 375 CZ2 TRP A 26 0.693 -9.949 11.196 1.00 0.00 C ATOM 376 CZ3 TRP A 26 1.319 -12.126 10.362 1.00 0.00 C ATOM 377 CH2 TRP A 26 0.764 -11.307 11.353 1.00 0.00 C ATOM 0 H TRP A 26 3.513 -10.160 4.235 1.00 0.00 H new ATOM 0 HA TRP A 26 0.953 -9.667 5.571 1.00 0.00 H new ATOM 0 HB2 TRP A 26 2.982 -10.796 6.651 1.00 0.00 H new ATOM 0 HB3 TRP A 26 3.785 -9.240 6.585 1.00 0.00 H new ATOM 0 HD1 TRP A 26 2.005 -7.167 7.774 1.00 0.00 H new ATOM 0 HE1 TRP A 26 0.918 -7.299 10.118 1.00 0.00 H new ATOM 0 HE3 TRP A 26 2.240 -12.231 8.428 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 0.265 -9.319 11.962 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 1.360 -13.194 10.518 1.00 0.00 H new ATOM 0 HH2 TRP A 26 0.384 -11.756 12.259 1.00 0.00 H new ATOM 388 N CYS A 27 0.824 -7.268 4.955 1.00 0.00 N ATOM 389 CA CYS A 27 0.700 -5.830 4.745 1.00 0.00 C ATOM 390 C CYS A 27 0.440 -5.109 6.064 1.00 0.00 C ATOM 391 O CYS A 27 -0.414 -5.519 6.849 1.00 0.00 O ATOM 392 CB CYS A 27 -0.428 -5.533 3.756 1.00 0.00 C ATOM 393 SG CYS A 27 0.094 -5.517 2.025 1.00 0.00 S ATOM 0 H CYS A 27 -0.053 -7.782 4.878 1.00 0.00 H new ATOM 0 HA CYS A 27 1.640 -5.465 4.332 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.212 -6.279 3.881 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.867 -4.566 4.001 1.00 0.00 H new ATOM 0 HG CYS A 27 -0.895 -5.893 1.270 1.00 0.00 H new ATOM 399 N SER A 28 1.184 -4.033 6.301 1.00 0.00 N ATOM 400 CA SER A 28 1.038 -3.258 7.527 1.00 0.00 C ATOM 401 C SER A 28 1.080 -1.762 7.232 1.00 0.00 C ATOM 402 O SER A 28 2.061 -1.251 6.691 1.00 0.00 O ATOM 403 CB SER A 28 2.141 -3.624 8.522 1.00 0.00 C ATOM 404 OG SER A 28 1.696 -3.468 9.858 1.00 0.00 O ATOM 0 H SER A 28 1.894 -3.679 5.660 1.00 0.00 H new ATOM 0 HA SER A 28 0.069 -3.498 7.965 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.455 -4.655 8.358 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.014 -2.994 8.350 1.00 0.00 H new ATOM 0 HG SER A 28 1.297 -4.307 10.170 1.00 0.00 H new ATOM 410 N VAL A 29 0.007 -1.064 7.592 1.00 0.00 N ATOM 411 CA VAL A 29 -0.080 0.374 7.367 1.00 0.00 C ATOM 412 C VAL A 29 0.145 1.147 8.662 1.00 0.00 C ATOM 413 O VAL A 29 -0.531 0.911 9.663 1.00 0.00 O ATOM 414 CB VAL A 29 -1.448 0.768 6.778 1.00 0.00 C ATOM 415 CG1 VAL A 29 -1.566 2.281 6.668 1.00 0.00 C ATOM 416 CG2 VAL A 29 -1.653 0.109 5.423 1.00 0.00 C ATOM 0 H VAL A 29 -0.814 -1.471 8.040 1.00 0.00 H new ATOM 0 HA VAL A 29 0.702 0.631 6.653 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.230 0.415 7.450 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.539 2.541 6.250 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.466 2.727 7.658 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.778 2.661 6.017 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.624 0.398 5.021 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.867 0.430 4.739 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.615 -0.974 5.536 1.00 0.00 H new ATOM 426 N ARG A 30 1.099 2.072 8.634 1.00 0.00 N ATOM 427 CA ARG A 30 1.414 2.880 9.806 1.00 0.00 C ATOM 428 C ARG A 30 2.206 4.123 9.412 1.00 0.00 C ATOM 429 O ARG A 30 2.935 4.119 8.420 1.00 0.00 O ATOM 430 CB ARG A 30 2.210 2.056 10.821 1.00 0.00 C ATOM 431 CG ARG A 30 2.595 2.834 12.069 1.00 0.00 C ATOM 432 CD ARG A 30 3.666 2.109 12.868 1.00 0.00 C ATOM 433 NE ARG A 30 3.097 1.100 13.757 1.00 0.00 N ATOM 434 CZ ARG A 30 3.703 0.661 14.855 1.00 0.00 C ATOM 435 NH1 ARG A 30 4.890 1.143 15.198 1.00 0.00 N ATOM 436 NH2 ARG A 30 3.121 -0.259 15.613 1.00 0.00 N ATOM 0 H ARG A 30 1.667 2.280 7.813 1.00 0.00 H new ATOM 0 HA ARG A 30 0.475 3.197 10.261 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.621 1.187 11.112 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.115 1.682 10.343 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.957 3.822 11.786 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.713 2.984 12.692 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.369 1.634 12.184 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.232 2.832 13.456 1.00 0.00 H new ATOM 0 HE ARG A 30 2.184 0.711 13.522 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.339 1.852 14.619 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.354 0.805 16.041 1.00 0.00 H new ATOM 0 HH21 ARG A 30 2.207 -0.630 15.353 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.587 -0.595 16.456 1.00 0.00 H new ATOM 450 N ASP A 31 2.056 5.186 10.196 1.00 0.00 N ATOM 451 CA ASP A 31 2.757 6.436 9.929 1.00 0.00 C ATOM 452 C ASP A 31 2.509 6.904 8.499 1.00 0.00 C ATOM 453 O ASP A 31 3.413 7.412 7.836 1.00 0.00 O ATOM 454 CB ASP A 31 4.258 6.266 10.171 1.00 0.00 C ATOM 455 CG ASP A 31 4.962 7.590 10.396 1.00 0.00 C ATOM 456 OD1 ASP A 31 4.544 8.337 11.304 1.00 0.00 O ATOM 457 OD2 ASP A 31 5.931 7.879 9.663 1.00 0.00 O ATOM 0 H ASP A 31 1.456 5.206 11.020 1.00 0.00 H new ATOM 0 HA ASP A 31 2.371 7.193 10.611 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.413 5.624 11.038 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.706 5.760 9.316 1.00 0.00 H new ATOM 462 N ASN A 32 1.279 6.728 8.029 1.00 0.00 N ATOM 463 CA ASN A 32 0.912 7.131 6.676 1.00 0.00 C ATOM 464 C ASN A 32 1.822 6.469 5.646 1.00 0.00 C ATOM 465 O ASN A 32 2.244 7.100 4.676 1.00 0.00 O ATOM 466 CB ASN A 32 0.988 8.653 6.536 1.00 0.00 C ATOM 467 CG ASN A 32 -0.011 9.365 7.427 1.00 0.00 C ATOM 468 OD1 ASN A 32 0.368 10.097 8.342 1.00 0.00 O ATOM 469 ND2 ASN A 32 -1.295 9.154 7.164 1.00 0.00 N ATOM 0 H ASN A 32 0.519 6.309 8.565 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.112 6.807 6.492 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.995 8.988 6.783 1.00 0.00 H new ATOM 0 HB3 ASN A 32 0.806 8.929 5.497 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -2.013 9.607 7.730 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -1.564 8.539 6.396 1.00 0.00 H new ATOM 476 N HIS A 33 2.121 5.192 5.863 1.00 0.00 N ATOM 477 CA HIS A 33 2.980 4.442 4.952 1.00 0.00 C ATOM 478 C HIS A 33 2.634 2.957 4.977 1.00 0.00 C ATOM 479 O HIS A 33 2.406 2.379 6.041 1.00 0.00 O ATOM 480 CB HIS A 33 4.450 4.641 5.325 1.00 0.00 C ATOM 481 CG HIS A 33 5.060 5.869 4.721 1.00 0.00 C ATOM 482 ND1 HIS A 33 4.940 7.123 5.282 1.00 0.00 N ATOM 483 CD2 HIS A 33 5.801 6.029 3.600 1.00 0.00 C ATOM 484 CE1 HIS A 33 5.578 8.002 4.530 1.00 0.00 C ATOM 485 NE2 HIS A 33 6.110 7.364 3.503 1.00 0.00 N ATOM 0 H HIS A 33 1.782 4.655 6.661 1.00 0.00 H new ATOM 0 HA HIS A 33 2.814 4.818 3.943 1.00 0.00 H new ATOM 0 HB2 HIS A 33 4.537 4.698 6.410 1.00 0.00 H new ATOM 0 HB3 HIS A 33 5.019 3.768 5.006 1.00 0.00 H new ATOM 0 HD1 HIS A 33 4.437 7.338 6.143 1.00 0.00 H new ATOM 0 HD2 HIS A 33 6.095 5.252 2.910 1.00 0.00 H new ATOM 0 HE1 HIS A 33 5.652 9.062 4.722 1.00 0.00 H new ATOM 494 N LEU A 34 2.594 2.344 3.799 1.00 0.00 N ATOM 495 CA LEU A 34 2.274 0.925 3.685 1.00 0.00 C ATOM 496 C LEU A 34 3.545 0.084 3.615 1.00 0.00 C ATOM 497 O LEU A 34 4.250 0.089 2.606 1.00 0.00 O ATOM 498 CB LEU A 34 1.414 0.674 2.446 1.00 0.00 C ATOM 499 CG LEU A 34 1.365 -0.769 1.944 1.00 0.00 C ATOM 500 CD1 LEU A 34 1.023 -1.719 3.081 1.00 0.00 C ATOM 501 CD2 LEU A 34 0.358 -0.906 0.811 1.00 0.00 C ATOM 0 H LEU A 34 2.779 2.807 2.909 1.00 0.00 H new ATOM 0 HA LEU A 34 1.715 0.631 4.573 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.396 0.997 2.664 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.783 1.306 1.638 1.00 0.00 H new ATOM 0 HG LEU A 34 2.351 -1.033 1.561 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.993 -2.741 2.704 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.781 -1.642 3.860 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.050 -1.456 3.495 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.337 -1.940 0.466 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.632 -0.622 1.168 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.647 -0.254 -0.014 1.00 0.00 H new ATOM 513 N HIS A 35 3.831 -0.638 4.694 1.00 0.00 N ATOM 514 CA HIS A 35 5.015 -1.487 4.754 1.00 0.00 C ATOM 515 C HIS A 35 4.682 -2.916 4.336 1.00 0.00 C ATOM 516 O HIS A 35 3.514 -3.306 4.298 1.00 0.00 O ATOM 517 CB HIS A 35 5.603 -1.480 6.165 1.00 0.00 C ATOM 518 CG HIS A 35 6.196 -0.162 6.560 1.00 0.00 C ATOM 519 ND1 HIS A 35 7.554 0.045 6.685 1.00 0.00 N ATOM 520 CD2 HIS A 35 5.608 1.020 6.858 1.00 0.00 C ATOM 521 CE1 HIS A 35 7.774 1.297 7.043 1.00 0.00 C ATOM 522 NE2 HIS A 35 6.610 1.910 7.154 1.00 0.00 N ATOM 0 H HIS A 35 3.259 -0.652 5.538 1.00 0.00 H new ATOM 0 HA HIS A 35 5.753 -1.087 4.059 1.00 0.00 H new ATOM 0 HB2 HIS A 35 4.821 -1.745 6.877 1.00 0.00 H new ATOM 0 HB3 HIS A 35 6.371 -2.250 6.233 1.00 0.00 H new ATOM 0 HD2 HIS A 35 4.548 1.225 6.862 1.00 0.00 H new ATOM 0 HE1 HIS A 35 8.742 1.744 7.216 1.00 0.00 H new ATOM 0 HE2 HIS A 35 6.477 2.886 7.417 1.00 0.00 H new ATOM 531 N PHE A 36 5.714 -3.692 4.024 1.00 0.00 N ATOM 532 CA PHE A 36 5.530 -5.078 3.607 1.00 0.00 C ATOM 533 C PHE A 36 6.399 -6.016 4.440 1.00 0.00 C ATOM 534 O PHE A 36 7.594 -5.779 4.617 1.00 0.00 O ATOM 535 CB PHE A 36 5.866 -5.236 2.123 1.00 0.00 C ATOM 536 CG PHE A 36 4.916 -4.510 1.213 1.00 0.00 C ATOM 537 CD1 PHE A 36 4.865 -3.126 1.204 1.00 0.00 C ATOM 538 CD2 PHE A 36 4.075 -5.213 0.366 1.00 0.00 C ATOM 539 CE1 PHE A 36 3.993 -2.455 0.368 1.00 0.00 C ATOM 540 CE2 PHE A 36 3.201 -4.548 -0.473 1.00 0.00 C ATOM 541 CZ PHE A 36 3.159 -3.168 -0.471 1.00 0.00 C ATOM 0 H PHE A 36 6.686 -3.385 4.052 1.00 0.00 H new ATOM 0 HA PHE A 36 4.485 -5.343 3.765 1.00 0.00 H new ATOM 0 HB2 PHE A 36 6.877 -4.870 1.947 1.00 0.00 H new ATOM 0 HB3 PHE A 36 5.862 -6.296 1.869 1.00 0.00 H new ATOM 0 HD1 PHE A 36 5.515 -2.564 1.859 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.103 -6.293 0.361 1.00 0.00 H new ATOM 0 HE1 PHE A 36 3.964 -1.375 0.371 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.551 -5.107 -1.130 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.475 -2.647 -1.124 1.00 0.00 H new ATOM 551 N TYR A 37 5.790 -7.081 4.948 1.00 0.00 N ATOM 552 CA TYR A 37 6.506 -8.054 5.764 1.00 0.00 C ATOM 553 C TYR A 37 6.109 -9.479 5.389 1.00 0.00 C ATOM 554 O TYR A 37 5.102 -9.696 4.716 1.00 0.00 O ATOM 555 CB TYR A 37 6.227 -7.810 7.248 1.00 0.00 C ATOM 556 CG TYR A 37 6.488 -6.387 7.688 1.00 0.00 C ATOM 557 CD1 TYR A 37 5.485 -5.427 7.633 1.00 0.00 C ATOM 558 CD2 TYR A 37 7.738 -6.003 8.158 1.00 0.00 C ATOM 559 CE1 TYR A 37 5.720 -4.125 8.032 1.00 0.00 C ATOM 560 CE2 TYR A 37 7.981 -4.704 8.561 1.00 0.00 C ATOM 561 CZ TYR A 37 6.969 -3.769 8.496 1.00 0.00 C ATOM 562 OH TYR A 37 7.206 -2.474 8.896 1.00 0.00 O ATOM 0 H TYR A 37 4.802 -7.293 4.809 1.00 0.00 H new ATOM 0 HA TYR A 37 7.573 -7.932 5.576 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.188 -8.062 7.460 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.846 -8.484 7.841 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.505 -5.703 7.272 1.00 0.00 H new ATOM 0 HD2 TYR A 37 8.533 -6.732 8.209 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.930 -3.390 7.981 1.00 0.00 H new ATOM 0 HE2 TYR A 37 8.958 -4.422 8.925 1.00 0.00 H new ATOM 0 HH TYR A 37 8.135 -2.389 9.196 1.00 0.00 H new ATOM 572 N GLN A 38 6.909 -10.444 5.829 1.00 0.00 N ATOM 573 CA GLN A 38 6.642 -11.848 5.539 1.00 0.00 C ATOM 574 C GLN A 38 5.993 -12.537 6.735 1.00 0.00 C ATOM 575 O GLN A 38 4.909 -13.110 6.622 1.00 0.00 O ATOM 576 CB GLN A 38 7.938 -12.568 5.161 1.00 0.00 C ATOM 577 CG GLN A 38 8.600 -12.013 3.911 1.00 0.00 C ATOM 578 CD GLN A 38 9.406 -13.057 3.164 1.00 0.00 C ATOM 579 OE1 GLN A 38 8.876 -14.090 2.754 1.00 0.00 O ATOM 580 NE2 GLN A 38 10.695 -12.794 2.984 1.00 0.00 N ATOM 0 H GLN A 38 7.747 -10.280 6.387 1.00 0.00 H new ATOM 0 HA GLN A 38 5.951 -11.894 4.698 1.00 0.00 H new ATOM 0 HB2 GLN A 38 8.638 -12.499 5.994 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.725 -13.626 5.010 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.835 -11.608 3.249 1.00 0.00 H new ATOM 0 HG3 GLN A 38 9.253 -11.185 4.187 1.00 0.00 H new ATOM 0 HE21 GLN A 38 11.093 -11.925 3.341 1.00 0.00 H new ATOM 0 HE22 GLN A 38 11.287 -13.461 2.489 1.00 0.00 H new ATOM 589 N ASP A 39 6.664 -12.478 7.880 1.00 0.00 N ATOM 590 CA ASP A 39 6.152 -13.096 9.098 1.00 0.00 C ATOM 591 C ASP A 39 5.609 -12.040 10.056 1.00 0.00 C ATOM 592 O ASP A 39 5.602 -10.850 9.744 1.00 0.00 O ATOM 593 CB ASP A 39 7.252 -13.908 9.784 1.00 0.00 C ATOM 594 CG ASP A 39 8.149 -14.622 8.792 1.00 0.00 C ATOM 595 OD1 ASP A 39 8.951 -13.940 8.121 1.00 0.00 O ATOM 596 OD2 ASP A 39 8.048 -15.862 8.686 1.00 0.00 O ATOM 0 H ASP A 39 7.563 -12.009 7.990 1.00 0.00 H new ATOM 0 HA ASP A 39 5.336 -13.764 8.822 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.856 -13.245 10.404 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.797 -14.641 10.450 1.00 0.00 H new ATOM 601 N ARG A 40 5.154 -12.486 11.223 1.00 0.00 N ATOM 602 CA ARG A 40 4.607 -11.580 12.226 1.00 0.00 C ATOM 603 C ARG A 40 5.693 -11.119 13.193 1.00 0.00 C ATOM 604 O ARG A 40 5.404 -10.704 14.314 1.00 0.00 O ATOM 605 CB ARG A 40 3.477 -12.262 12.998 1.00 0.00 C ATOM 606 CG ARG A 40 3.963 -13.292 14.006 1.00 0.00 C ATOM 607 CD ARG A 40 4.175 -14.650 13.356 1.00 0.00 C ATOM 608 NE ARG A 40 3.949 -15.747 14.294 1.00 0.00 N ATOM 609 CZ ARG A 40 4.453 -16.965 14.134 1.00 0.00 C ATOM 610 NH1 ARG A 40 5.208 -17.242 13.080 1.00 0.00 N ATOM 611 NH2 ARG A 40 4.202 -17.911 15.031 1.00 0.00 N ATOM 0 H ARG A 40 5.153 -13.469 11.497 1.00 0.00 H new ATOM 0 HA ARG A 40 4.209 -10.706 11.711 1.00 0.00 H new ATOM 0 HB2 ARG A 40 2.895 -11.502 13.519 1.00 0.00 H new ATOM 0 HB3 ARG A 40 2.806 -12.748 12.290 1.00 0.00 H new ATOM 0 HG2 ARG A 40 4.897 -12.952 14.454 1.00 0.00 H new ATOM 0 HG3 ARG A 40 3.237 -13.383 14.814 1.00 0.00 H new ATOM 0 HD2 ARG A 40 3.500 -14.755 12.506 1.00 0.00 H new ATOM 0 HD3 ARG A 40 5.191 -14.710 12.965 1.00 0.00 H new ATOM 0 HE ARG A 40 3.373 -15.568 15.116 1.00 0.00 H new ATOM 0 HH11 ARG A 40 5.404 -16.518 12.388 1.00 0.00 H new ATOM 0 HH12 ARG A 40 5.593 -18.179 12.961 1.00 0.00 H new ATOM 0 HH21 ARG A 40 3.622 -17.702 15.844 1.00 0.00 H new ATOM 0 HH22 ARG A 40 4.589 -18.846 14.908 1.00 0.00 H new ATOM 625 N ASN A 41 6.944 -11.198 12.751 1.00 0.00 N ATOM 626 CA ASN A 41 8.074 -10.791 13.578 1.00 0.00 C ATOM 627 C ASN A 41 8.645 -9.459 13.101 1.00 0.00 C ATOM 628 O ASN A 41 9.388 -8.795 13.825 1.00 0.00 O ATOM 629 CB ASN A 41 9.164 -11.864 13.553 1.00 0.00 C ATOM 630 CG ASN A 41 9.329 -12.489 12.182 1.00 0.00 C ATOM 631 OD1 ASN A 41 9.451 -11.650 11.160 1.00 0.00 O flip ATOM 632 ND2 ASN A 41 9.346 -13.712 12.043 1.00 0.00 N flip ATOM 0 H ASN A 41 7.201 -11.540 11.825 1.00 0.00 H new ATOM 0 HA ASN A 41 7.718 -10.668 14.601 1.00 0.00 H new ATOM 0 HB2 ASN A 41 10.111 -11.423 13.865 1.00 0.00 H new ATOM 0 HB3 ASN A 41 8.921 -12.642 14.277 1.00 0.00 H new ATOM 0 HD21 ASN A 41 9.249 -14.319 12.857 1.00 0.00 H new ATOM 0 HD22 ASN A 41 9.457 -14.118 11.114 1.00 0.00 H new ATOM 639 N ARG A 42 8.292 -9.073 11.879 1.00 0.00 N ATOM 640 CA ARG A 42 8.770 -7.821 11.305 1.00 0.00 C ATOM 641 C ARG A 42 10.286 -7.706 11.437 1.00 0.00 C ATOM 642 O ARG A 42 10.800 -6.714 11.953 1.00 0.00 O ATOM 643 CB ARG A 42 8.096 -6.631 11.991 1.00 0.00 C ATOM 644 CG ARG A 42 6.591 -6.581 11.783 1.00 0.00 C ATOM 645 CD ARG A 42 6.071 -5.152 11.822 1.00 0.00 C ATOM 646 NE ARG A 42 4.661 -5.093 12.196 1.00 0.00 N ATOM 647 CZ ARG A 42 3.870 -4.062 11.922 1.00 0.00 C ATOM 648 NH1 ARG A 42 4.349 -3.009 11.273 1.00 0.00 N ATOM 649 NH2 ARG A 42 2.597 -4.082 12.296 1.00 0.00 N ATOM 0 H ARG A 42 7.677 -9.609 11.268 1.00 0.00 H new ATOM 0 HA ARG A 42 8.513 -7.815 10.246 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.305 -6.672 13.060 1.00 0.00 H new ATOM 0 HB3 ARG A 42 8.537 -5.708 11.615 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.340 -7.035 10.824 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.096 -7.171 12.555 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.659 -4.571 12.533 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.206 -4.690 10.844 1.00 0.00 H new ATOM 0 HE ARG A 42 4.261 -5.888 12.695 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.327 -2.990 10.983 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.740 -2.218 11.064 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.225 -4.890 12.795 1.00 0.00 H new ATOM 0 HH22 ARG A 42 1.991 -3.289 12.085 1.00 0.00 H new ATOM 663 N SER A 43 10.995 -8.727 10.967 1.00 0.00 N ATOM 664 CA SER A 43 12.451 -8.743 11.036 1.00 0.00 C ATOM 665 C SER A 43 13.060 -8.804 9.639 1.00 0.00 C ATOM 666 O SER A 43 14.049 -8.129 9.349 1.00 0.00 O ATOM 667 CB SER A 43 12.931 -9.935 11.866 1.00 0.00 C ATOM 668 OG SER A 43 14.313 -10.174 11.664 1.00 0.00 O ATOM 0 H SER A 43 10.584 -9.554 10.534 1.00 0.00 H new ATOM 0 HA SER A 43 12.777 -7.820 11.516 1.00 0.00 H new ATOM 0 HB2 SER A 43 12.742 -9.746 12.923 1.00 0.00 H new ATOM 0 HB3 SER A 43 12.362 -10.824 11.595 1.00 0.00 H new ATOM 0 HG SER A 43 14.595 -10.940 12.207 1.00 0.00 H new ATOM 674 N LYS A 44 12.463 -9.618 8.775 1.00 0.00 N ATOM 675 CA LYS A 44 12.944 -9.768 7.406 1.00 0.00 C ATOM 676 C LYS A 44 11.967 -9.144 6.415 1.00 0.00 C ATOM 677 O LYS A 44 11.271 -9.851 5.686 1.00 0.00 O ATOM 678 CB LYS A 44 13.148 -11.248 7.075 1.00 0.00 C ATOM 679 CG LYS A 44 14.010 -11.484 5.847 1.00 0.00 C ATOM 680 CD LYS A 44 14.325 -12.959 5.661 1.00 0.00 C ATOM 681 CE LYS A 44 14.995 -13.221 4.321 1.00 0.00 C ATOM 682 NZ LYS A 44 16.331 -12.569 4.233 1.00 0.00 N ATOM 0 H LYS A 44 11.645 -10.184 8.998 1.00 0.00 H new ATOM 0 HA LYS A 44 13.899 -9.249 7.323 1.00 0.00 H new ATOM 0 HB2 LYS A 44 13.607 -11.743 7.931 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.175 -11.714 6.921 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.496 -11.107 4.963 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.939 -10.922 5.940 1.00 0.00 H new ATOM 0 HD2 LYS A 44 14.976 -13.298 6.467 1.00 0.00 H new ATOM 0 HD3 LYS A 44 13.405 -13.540 5.729 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.105 -14.295 4.174 1.00 0.00 H new ATOM 0 HE3 LYS A 44 14.357 -12.852 3.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 16.777 -12.813 3.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 16.219 -11.537 4.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 16.932 -12.901 5.014 1.00 0.00 H new ATOM 696 N VAL A 45 11.922 -7.816 6.391 1.00 0.00 N ATOM 697 CA VAL A 45 11.033 -7.097 5.487 1.00 0.00 C ATOM 698 C VAL A 45 11.122 -7.653 4.071 1.00 0.00 C ATOM 699 O VAL A 45 12.213 -7.905 3.559 1.00 0.00 O ATOM 700 CB VAL A 45 11.360 -5.592 5.457 1.00 0.00 C ATOM 701 CG1 VAL A 45 10.444 -4.865 4.484 1.00 0.00 C ATOM 702 CG2 VAL A 45 11.250 -4.995 6.852 1.00 0.00 C ATOM 0 H VAL A 45 12.491 -7.216 6.988 1.00 0.00 H new ATOM 0 HA VAL A 45 10.020 -7.234 5.865 1.00 0.00 H new ATOM 0 HB VAL A 45 12.387 -5.468 5.113 1.00 0.00 H new ATOM 0 HG11 VAL A 45 10.690 -3.803 4.477 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.577 -5.275 3.483 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.407 -4.995 4.794 1.00 0.00 H new ATOM 0 HG21 VAL A 45 11.484 -3.931 6.812 1.00 0.00 H new ATOM 0 HG22 VAL A 45 10.235 -5.129 7.226 1.00 0.00 H new ATOM 0 HG23 VAL A 45 11.952 -5.496 7.519 1.00 0.00 H new ATOM 712 N ALA A 46 9.967 -7.843 3.442 1.00 0.00 N ATOM 713 CA ALA A 46 9.914 -8.367 2.083 1.00 0.00 C ATOM 714 C ALA A 46 10.324 -7.305 1.068 1.00 0.00 C ATOM 715 O ALA A 46 11.038 -7.594 0.108 1.00 0.00 O ATOM 716 CB ALA A 46 8.519 -8.887 1.771 1.00 0.00 C ATOM 0 H ALA A 46 9.055 -7.642 3.852 1.00 0.00 H new ATOM 0 HA ALA A 46 10.622 -9.193 2.011 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.495 -9.275 0.753 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.263 -9.684 2.469 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.798 -8.075 1.867 1.00 0.00 H new ATOM 722 N GLN A 47 9.866 -6.077 1.287 1.00 0.00 N ATOM 723 CA GLN A 47 10.185 -4.972 0.389 1.00 0.00 C ATOM 724 C GLN A 47 10.028 -3.632 1.100 1.00 0.00 C ATOM 725 O GLN A 47 9.292 -3.521 2.080 1.00 0.00 O ATOM 726 CB GLN A 47 9.285 -5.016 -0.847 1.00 0.00 C ATOM 727 CG GLN A 47 7.812 -4.805 -0.535 1.00 0.00 C ATOM 728 CD GLN A 47 6.963 -4.682 -1.785 1.00 0.00 C ATOM 729 OE1 GLN A 47 6.609 -3.579 -2.203 1.00 0.00 O ATOM 730 NE2 GLN A 47 6.631 -5.817 -2.390 1.00 0.00 N ATOM 0 H GLN A 47 9.274 -5.822 2.077 1.00 0.00 H new ATOM 0 HA GLN A 47 11.224 -5.078 0.077 1.00 0.00 H new ATOM 0 HB2 GLN A 47 9.612 -4.251 -1.552 1.00 0.00 H new ATOM 0 HB3 GLN A 47 9.409 -5.979 -1.342 1.00 0.00 H new ATOM 0 HG2 GLN A 47 7.449 -5.639 0.066 1.00 0.00 H new ATOM 0 HG3 GLN A 47 7.697 -3.904 0.068 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.946 -6.709 -2.009 1.00 0.00 H new ATOM 0 HE22 GLN A 47 6.061 -5.796 -3.236 1.00 0.00 H new ATOM 739 N GLN A 48 10.725 -2.617 0.598 1.00 0.00 N ATOM 740 CA GLN A 48 10.664 -1.284 1.186 1.00 0.00 C ATOM 741 C GLN A 48 9.217 -0.840 1.378 1.00 0.00 C ATOM 742 O GLN A 48 8.292 -1.377 0.769 1.00 0.00 O ATOM 743 CB GLN A 48 11.405 -0.280 0.302 1.00 0.00 C ATOM 744 CG GLN A 48 12.881 -0.144 0.642 1.00 0.00 C ATOM 745 CD GLN A 48 13.745 -1.144 -0.101 1.00 0.00 C ATOM 746 OE1 GLN A 48 13.934 -2.274 0.350 1.00 0.00 O ATOM 747 NE2 GLN A 48 14.274 -0.733 -1.247 1.00 0.00 N ATOM 0 H GLN A 48 11.338 -2.693 -0.214 1.00 0.00 H new ATOM 0 HA GLN A 48 11.146 -1.322 2.163 1.00 0.00 H new ATOM 0 HB2 GLN A 48 11.307 -0.584 -0.740 1.00 0.00 H new ATOM 0 HB3 GLN A 48 10.928 0.695 0.395 1.00 0.00 H new ATOM 0 HG2 GLN A 48 13.214 0.866 0.403 1.00 0.00 H new ATOM 0 HG3 GLN A 48 13.017 -0.279 1.715 1.00 0.00 H new ATOM 0 HE21 GLN A 48 14.091 0.212 -1.583 1.00 0.00 H new ATOM 0 HE22 GLN A 48 14.864 -1.363 -1.791 1.00 0.00 H new ATOM 756 N PRO A 49 9.016 0.164 2.245 1.00 0.00 N ATOM 757 CA PRO A 49 7.684 0.702 2.537 1.00 0.00 C ATOM 758 C PRO A 49 7.099 1.472 1.358 1.00 0.00 C ATOM 759 O PRO A 49 7.797 1.765 0.386 1.00 0.00 O ATOM 760 CB PRO A 49 7.933 1.642 3.719 1.00 0.00 C ATOM 761 CG PRO A 49 9.364 2.039 3.592 1.00 0.00 C ATOM 762 CD PRO A 49 10.073 0.850 3.006 1.00 0.00 C ATOM 0 HA PRO A 49 6.962 -0.087 2.747 1.00 0.00 H new ATOM 0 HB2 PRO A 49 7.276 2.511 3.679 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.743 1.142 4.669 1.00 0.00 H new ATOM 0 HG2 PRO A 49 9.471 2.913 2.949 1.00 0.00 H new ATOM 0 HG3 PRO A 49 9.783 2.304 4.563 1.00 0.00 H new ATOM 0 HD2 PRO A 49 10.900 1.152 2.363 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.490 0.208 3.782 1.00 0.00 H new ATOM 770 N LEU A 50 5.815 1.798 1.449 1.00 0.00 N ATOM 771 CA LEU A 50 5.135 2.535 0.390 1.00 0.00 C ATOM 772 C LEU A 50 4.552 3.841 0.922 1.00 0.00 C ATOM 773 O LEU A 50 4.002 3.883 2.023 1.00 0.00 O ATOM 774 CB LEU A 50 4.024 1.680 -0.223 1.00 0.00 C ATOM 775 CG LEU A 50 4.432 0.793 -1.400 1.00 0.00 C ATOM 776 CD1 LEU A 50 3.271 -0.090 -1.830 1.00 0.00 C ATOM 777 CD2 LEU A 50 4.918 1.644 -2.565 1.00 0.00 C ATOM 0 H LEU A 50 5.223 1.563 2.246 1.00 0.00 H new ATOM 0 HA LEU A 50 5.869 2.773 -0.380 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.609 1.044 0.559 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.224 2.342 -0.553 1.00 0.00 H new ATOM 0 HG LEU A 50 5.251 0.150 -1.079 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.580 -0.714 -2.669 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.969 -0.725 -0.997 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.431 0.535 -2.133 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.204 0.997 -3.394 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.119 2.312 -2.886 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.779 2.233 -2.251 1.00 0.00 H new ATOM 789 N SER A 51 4.675 4.903 0.133 1.00 0.00 N ATOM 790 CA SER A 51 4.162 6.210 0.525 1.00 0.00 C ATOM 791 C SER A 51 2.711 6.379 0.085 1.00 0.00 C ATOM 792 O SER A 51 2.434 6.904 -0.995 1.00 0.00 O ATOM 793 CB SER A 51 5.022 7.322 -0.078 1.00 0.00 C ATOM 794 OG SER A 51 5.186 7.139 -1.474 1.00 0.00 O ATOM 0 H SER A 51 5.126 4.884 -0.782 1.00 0.00 H new ATOM 0 HA SER A 51 4.204 6.277 1.612 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.558 8.289 0.113 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.998 7.335 0.407 1.00 0.00 H new ATOM 0 HG SER A 51 4.312 6.981 -1.888 1.00 0.00 H new ATOM 800 N LEU A 52 1.787 5.931 0.927 1.00 0.00 N ATOM 801 CA LEU A 52 0.363 6.031 0.627 1.00 0.00 C ATOM 802 C LEU A 52 -0.035 7.478 0.352 1.00 0.00 C ATOM 803 O LEU A 52 -0.742 7.766 -0.613 1.00 0.00 O ATOM 804 CB LEU A 52 -0.464 5.474 1.787 1.00 0.00 C ATOM 805 CG LEU A 52 -0.241 3.999 2.123 1.00 0.00 C ATOM 806 CD1 LEU A 52 -1.066 3.597 3.335 1.00 0.00 C ATOM 807 CD2 LEU A 52 -0.583 3.122 0.927 1.00 0.00 C ATOM 0 H LEU A 52 1.999 5.494 1.824 1.00 0.00 H new ATOM 0 HA LEU A 52 0.163 5.442 -0.268 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.249 6.065 2.677 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.520 5.618 1.556 1.00 0.00 H new ATOM 0 HG LEU A 52 0.813 3.856 2.363 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.894 2.544 3.559 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.772 4.203 4.192 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.124 3.755 3.124 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.418 2.076 1.184 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.628 3.269 0.655 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.052 3.393 0.084 1.00 0.00 H new ATOM 819 N VAL A 53 0.427 8.385 1.206 1.00 0.00 N ATOM 820 CA VAL A 53 0.123 9.803 1.054 1.00 0.00 C ATOM 821 C VAL A 53 0.400 10.275 -0.369 1.00 0.00 C ATOM 822 O VAL A 53 1.550 10.478 -0.753 1.00 0.00 O ATOM 823 CB VAL A 53 0.941 10.662 2.037 1.00 0.00 C ATOM 824 CG1 VAL A 53 0.607 12.136 1.865 1.00 0.00 C ATOM 825 CG2 VAL A 53 0.693 10.214 3.469 1.00 0.00 C ATOM 0 H VAL A 53 1.013 8.163 2.011 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.938 9.924 1.274 1.00 0.00 H new ATOM 0 HB VAL A 53 2.000 10.527 1.816 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.195 12.727 2.568 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.841 12.446 0.846 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.454 12.293 2.057 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.279 10.831 4.150 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.366 10.318 3.705 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.988 9.171 3.580 1.00 0.00 H new ATOM 835 N GLY A 54 -0.665 10.448 -1.147 1.00 0.00 N ATOM 836 CA GLY A 54 -0.515 10.896 -2.519 1.00 0.00 C ATOM 837 C GLY A 54 -1.094 9.911 -3.516 1.00 0.00 C ATOM 838 O GLY A 54 -1.600 10.307 -4.567 1.00 0.00 O ATOM 0 H GLY A 54 -1.628 10.286 -0.852 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.007 11.861 -2.639 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.543 11.048 -2.735 1.00 0.00 H new ATOM 842 N CYS A 55 -1.020 8.627 -3.188 1.00 0.00 N ATOM 843 CA CYS A 55 -1.539 7.582 -4.064 1.00 0.00 C ATOM 844 C CYS A 55 -3.063 7.557 -4.036 1.00 0.00 C ATOM 845 O CYS A 55 -3.696 8.409 -3.413 1.00 0.00 O ATOM 846 CB CYS A 55 -0.986 6.218 -3.649 1.00 0.00 C ATOM 847 SG CYS A 55 0.794 6.207 -3.332 1.00 0.00 S ATOM 0 H CYS A 55 -0.606 8.283 -2.322 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.216 7.802 -5.082 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -1.506 5.885 -2.751 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -1.209 5.494 -4.433 1.00 0.00 H new ATOM 0 HG CYS A 55 1.020 6.593 -2.111 1.00 0.00 H new ATOM 853 N GLU A 56 -3.646 6.575 -4.716 1.00 0.00 N ATOM 854 CA GLU A 56 -5.097 6.441 -4.771 1.00 0.00 C ATOM 855 C GLU A 56 -5.505 4.975 -4.883 1.00 0.00 C ATOM 856 O GLU A 56 -5.138 4.288 -5.837 1.00 0.00 O ATOM 857 CB GLU A 56 -5.660 7.230 -5.955 1.00 0.00 C ATOM 858 CG GLU A 56 -7.103 6.885 -6.286 1.00 0.00 C ATOM 859 CD GLU A 56 -8.081 7.424 -5.260 1.00 0.00 C ATOM 860 OE1 GLU A 56 -7.839 8.530 -4.732 1.00 0.00 O ATOM 861 OE2 GLU A 56 -9.089 6.740 -4.986 1.00 0.00 O ATOM 0 H GLU A 56 -3.136 5.861 -5.236 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.508 6.845 -3.846 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.591 8.296 -5.736 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.040 7.044 -6.832 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.353 7.288 -7.268 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.209 5.802 -6.349 1.00 0.00 H new ATOM 868 N VAL A 57 -6.266 4.501 -3.901 1.00 0.00 N ATOM 869 CA VAL A 57 -6.724 3.117 -3.888 1.00 0.00 C ATOM 870 C VAL A 57 -8.038 2.967 -4.646 1.00 0.00 C ATOM 871 O VAL A 57 -9.024 3.637 -4.340 1.00 0.00 O ATOM 872 CB VAL A 57 -6.912 2.602 -2.449 1.00 0.00 C ATOM 873 CG1 VAL A 57 -7.196 1.107 -2.450 1.00 0.00 C ATOM 874 CG2 VAL A 57 -5.686 2.919 -1.606 1.00 0.00 C ATOM 0 H VAL A 57 -6.578 5.056 -3.104 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.954 2.523 -4.380 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.770 3.110 -2.008 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.326 0.761 -1.425 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.105 0.910 -3.018 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.360 0.578 -2.908 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.836 2.548 -0.592 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.810 2.439 -2.042 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.532 3.998 -1.579 1.00 0.00 H new ATOM 884 N VAL A 58 -8.045 2.081 -5.638 1.00 0.00 N ATOM 885 CA VAL A 58 -9.239 1.840 -6.439 1.00 0.00 C ATOM 886 C VAL A 58 -9.594 0.358 -6.464 1.00 0.00 C ATOM 887 O VAL A 58 -8.732 -0.511 -6.599 1.00 0.00 O ATOM 888 CB VAL A 58 -9.053 2.337 -7.886 1.00 0.00 C ATOM 889 CG1 VAL A 58 -9.385 3.818 -7.989 1.00 0.00 C ATOM 890 CG2 VAL A 58 -7.635 2.065 -8.364 1.00 0.00 C ATOM 0 H VAL A 58 -7.237 1.519 -5.906 1.00 0.00 H new ATOM 0 HA VAL A 58 -10.051 2.397 -5.972 1.00 0.00 H new ATOM 0 HB VAL A 58 -9.740 1.790 -8.531 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -9.248 4.151 -9.018 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -10.421 3.980 -7.690 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -8.725 4.385 -7.333 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.521 2.422 -9.387 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.927 2.584 -7.718 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.439 0.993 -8.330 1.00 0.00 H new ATOM 900 N PRO A 59 -10.895 0.059 -6.332 1.00 0.00 N ATOM 901 CA PRO A 59 -11.395 -1.319 -6.337 1.00 0.00 C ATOM 902 C PRO A 59 -11.285 -1.970 -7.711 1.00 0.00 C ATOM 903 O PRO A 59 -12.197 -1.869 -8.532 1.00 0.00 O ATOM 904 CB PRO A 59 -12.864 -1.164 -5.935 1.00 0.00 C ATOM 905 CG PRO A 59 -13.225 0.222 -6.343 1.00 0.00 C ATOM 906 CD PRO A 59 -11.978 1.044 -6.167 1.00 0.00 C ATOM 0 HA PRO A 59 -10.822 -1.963 -5.670 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -13.491 -1.900 -6.437 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -12.998 -1.309 -4.863 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -13.566 0.248 -7.378 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -14.038 0.610 -5.729 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.913 1.840 -6.908 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -11.944 1.518 -5.186 1.00 0.00 H new ATOM 914 N ASP A 60 -10.164 -2.639 -7.956 1.00 0.00 N ATOM 915 CA ASP A 60 -9.935 -3.309 -9.231 1.00 0.00 C ATOM 916 C ASP A 60 -10.050 -4.822 -9.078 1.00 0.00 C ATOM 917 O ASP A 60 -9.054 -5.545 -9.047 1.00 0.00 O ATOM 918 CB ASP A 60 -8.557 -2.943 -9.784 1.00 0.00 C ATOM 919 CG ASP A 60 -8.455 -3.167 -11.279 1.00 0.00 C ATOM 920 OD1 ASP A 60 -9.197 -4.024 -11.802 1.00 0.00 O ATOM 921 OD2 ASP A 60 -7.632 -2.486 -11.927 1.00 0.00 O ATOM 0 H ASP A 60 -9.399 -2.732 -7.288 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.700 -2.974 -9.932 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.345 -1.897 -9.561 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -7.796 -3.537 -9.278 1.00 0.00 H new ATOM 926 N PRO A 61 -11.294 -5.314 -8.978 1.00 0.00 N ATOM 927 CA PRO A 61 -11.569 -6.746 -8.826 1.00 0.00 C ATOM 928 C PRO A 61 -11.253 -7.535 -10.092 1.00 0.00 C ATOM 929 O PRO A 61 -10.978 -6.956 -11.143 1.00 0.00 O ATOM 930 CB PRO A 61 -13.070 -6.790 -8.530 1.00 0.00 C ATOM 931 CG PRO A 61 -13.613 -5.544 -9.140 1.00 0.00 C ATOM 932 CD PRO A 61 -12.528 -4.511 -9.007 1.00 0.00 C ATOM 0 HA PRO A 61 -10.954 -7.198 -8.048 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.533 -7.677 -8.963 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -13.261 -6.822 -7.457 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -13.874 -5.703 -10.186 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -14.522 -5.224 -8.630 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.533 -3.813 -9.844 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.645 -3.920 -8.098 1.00 0.00 H new ATOM 940 N SER A 62 -11.294 -8.859 -9.985 1.00 0.00 N ATOM 941 CA SER A 62 -11.008 -9.727 -11.122 1.00 0.00 C ATOM 942 C SER A 62 -12.113 -10.763 -11.305 1.00 0.00 C ATOM 943 O SER A 62 -12.950 -10.977 -10.428 1.00 0.00 O ATOM 944 CB SER A 62 -9.663 -10.429 -10.929 1.00 0.00 C ATOM 945 OG SER A 62 -8.627 -9.743 -11.611 1.00 0.00 O ATOM 0 H SER A 62 -11.522 -9.354 -9.123 1.00 0.00 H new ATOM 0 HA SER A 62 -10.961 -9.108 -12.018 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.428 -10.485 -9.866 1.00 0.00 H new ATOM 0 HB3 SER A 62 -9.728 -11.453 -11.296 1.00 0.00 H new ATOM 0 HG SER A 62 -7.777 -10.211 -11.471 1.00 0.00 H new ATOM 951 N PRO A 63 -12.118 -11.422 -12.473 1.00 0.00 N ATOM 952 CA PRO A 63 -13.113 -12.447 -12.800 1.00 0.00 C ATOM 953 C PRO A 63 -12.933 -13.715 -11.973 1.00 0.00 C ATOM 954 O PRO A 63 -13.635 -14.706 -12.177 1.00 0.00 O ATOM 955 CB PRO A 63 -12.854 -12.733 -14.281 1.00 0.00 C ATOM 956 CG PRO A 63 -11.426 -12.368 -14.494 1.00 0.00 C ATOM 957 CD PRO A 63 -11.150 -11.218 -13.564 1.00 0.00 C ATOM 0 HA PRO A 63 -14.128 -12.112 -12.588 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -13.034 -13.781 -14.519 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -13.513 -12.144 -14.919 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -10.771 -13.212 -14.277 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -11.246 -12.083 -15.531 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -10.123 -11.234 -13.199 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -11.297 -10.258 -14.058 1.00 0.00 H new ATOM 965 N ASP A 64 -11.989 -13.678 -11.039 1.00 0.00 N ATOM 966 CA ASP A 64 -11.717 -14.824 -10.180 1.00 0.00 C ATOM 967 C ASP A 64 -11.774 -14.426 -8.709 1.00 0.00 C ATOM 968 O ASP A 64 -11.757 -15.281 -7.822 1.00 0.00 O ATOM 969 CB ASP A 64 -10.347 -15.421 -10.507 1.00 0.00 C ATOM 970 CG ASP A 64 -10.290 -16.007 -11.905 1.00 0.00 C ATOM 971 OD1 ASP A 64 -10.998 -17.004 -12.159 1.00 0.00 O ATOM 972 OD2 ASP A 64 -9.537 -15.469 -12.743 1.00 0.00 O ATOM 0 H ASP A 64 -11.399 -12.866 -10.858 1.00 0.00 H new ATOM 0 HA ASP A 64 -12.485 -15.575 -10.365 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -9.584 -14.649 -10.408 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -10.110 -16.198 -9.780 1.00 0.00 H new ATOM 977 N HIS A 65 -11.839 -13.123 -8.456 1.00 0.00 N ATOM 978 CA HIS A 65 -11.897 -12.610 -7.091 1.00 0.00 C ATOM 979 C HIS A 65 -12.303 -11.140 -7.080 1.00 0.00 C ATOM 980 O HIS A 65 -11.506 -10.262 -7.415 1.00 0.00 O ATOM 981 CB HIS A 65 -10.544 -12.783 -6.401 1.00 0.00 C ATOM 982 CG HIS A 65 -10.386 -14.106 -5.715 1.00 0.00 C ATOM 983 ND1 HIS A 65 -9.634 -15.185 -6.035 1.00 0.00 N flip ATOM 984 CD2 HIS A 65 -11.052 -14.435 -4.553 1.00 0.00 C flip ATOM 985 CE1 HIS A 65 -9.855 -16.136 -5.070 1.00 0.00 C flip ATOM 986 NE2 HIS A 65 -10.715 -15.659 -4.187 1.00 0.00 N flip ATOM 0 H HIS A 65 -11.853 -12.403 -9.178 1.00 0.00 H new ATOM 0 HA HIS A 65 -12.649 -13.180 -6.546 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -9.751 -12.669 -7.140 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -10.414 -11.986 -5.669 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -11.741 -13.793 -4.025 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -9.400 -17.115 -5.038 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -11.060 -16.152 -3.363 1.00 0.00 H new ATOM 995 N LEU A 66 -13.546 -10.877 -6.692 1.00 0.00 N ATOM 996 CA LEU A 66 -14.058 -9.512 -6.638 1.00 0.00 C ATOM 997 C LEU A 66 -13.658 -8.832 -5.332 1.00 0.00 C ATOM 998 O LEU A 66 -14.325 -7.904 -4.874 1.00 0.00 O ATOM 999 CB LEU A 66 -15.582 -9.513 -6.780 1.00 0.00 C ATOM 1000 CG LEU A 66 -16.159 -10.481 -7.813 1.00 0.00 C ATOM 1001 CD1 LEU A 66 -17.614 -10.792 -7.498 1.00 0.00 C ATOM 1002 CD2 LEU A 66 -16.027 -9.905 -9.216 1.00 0.00 C ATOM 0 H LEU A 66 -14.218 -11.591 -6.410 1.00 0.00 H new ATOM 0 HA LEU A 66 -13.622 -8.953 -7.466 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -16.017 -9.748 -5.809 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -15.904 -8.504 -7.038 1.00 0.00 H new ATOM 0 HG LEU A 66 -15.592 -11.411 -7.768 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -18.008 -11.482 -8.244 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -17.683 -11.247 -6.510 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -18.195 -9.870 -7.514 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -16.443 -10.607 -9.938 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -16.569 -8.961 -9.274 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -14.974 -9.733 -9.441 1.00 0.00 H new ATOM 1014 N TYR A 67 -12.565 -9.299 -4.740 1.00 0.00 N ATOM 1015 CA TYR A 67 -12.075 -8.736 -3.487 1.00 0.00 C ATOM 1016 C TYR A 67 -10.616 -8.311 -3.614 1.00 0.00 C ATOM 1017 O TYR A 67 -9.818 -8.510 -2.698 1.00 0.00 O ATOM 1018 CB TYR A 67 -12.226 -9.752 -2.354 1.00 0.00 C ATOM 1019 CG TYR A 67 -13.495 -10.569 -2.438 1.00 0.00 C ATOM 1020 CD1 TYR A 67 -14.706 -9.976 -2.771 1.00 0.00 C ATOM 1021 CD2 TYR A 67 -13.483 -11.935 -2.185 1.00 0.00 C ATOM 1022 CE1 TYR A 67 -15.869 -10.718 -2.848 1.00 0.00 C ATOM 1023 CE2 TYR A 67 -14.640 -12.686 -2.261 1.00 0.00 C ATOM 1024 CZ TYR A 67 -15.830 -12.073 -2.593 1.00 0.00 C ATOM 1025 OH TYR A 67 -16.986 -12.817 -2.670 1.00 0.00 O ATOM 0 H TYR A 67 -12.001 -10.066 -5.107 1.00 0.00 H new ATOM 0 HA TYR A 67 -12.672 -7.854 -3.257 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -11.369 -10.425 -2.365 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -12.206 -9.225 -1.400 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -14.739 -8.916 -2.973 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -12.553 -12.418 -1.924 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -16.803 -10.240 -3.106 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -14.613 -13.747 -2.062 1.00 0.00 H new ATOM 0 HH TYR A 67 -16.786 -13.754 -2.463 1.00 0.00 H new ATOM 1035 N SER A 68 -10.274 -7.724 -4.757 1.00 0.00 N ATOM 1036 CA SER A 68 -8.910 -7.274 -5.007 1.00 0.00 C ATOM 1037 C SER A 68 -8.884 -5.789 -5.355 1.00 0.00 C ATOM 1038 O SER A 68 -9.665 -5.320 -6.183 1.00 0.00 O ATOM 1039 CB SER A 68 -8.281 -8.087 -6.140 1.00 0.00 C ATOM 1040 OG SER A 68 -9.211 -8.306 -7.186 1.00 0.00 O ATOM 0 H SER A 68 -10.923 -7.549 -5.524 1.00 0.00 H new ATOM 0 HA SER A 68 -8.331 -7.426 -4.096 1.00 0.00 H new ATOM 0 HB2 SER A 68 -7.409 -7.561 -6.529 1.00 0.00 H new ATOM 0 HB3 SER A 68 -7.931 -9.044 -5.754 1.00 0.00 H new ATOM 0 HG SER A 68 -9.827 -9.024 -6.931 1.00 0.00 H new ATOM 1046 N PHE A 69 -7.979 -5.053 -4.717 1.00 0.00 N ATOM 1047 CA PHE A 69 -7.850 -3.621 -4.958 1.00 0.00 C ATOM 1048 C PHE A 69 -6.406 -3.252 -5.284 1.00 0.00 C ATOM 1049 O PHE A 69 -5.472 -3.957 -4.901 1.00 0.00 O ATOM 1050 CB PHE A 69 -8.327 -2.832 -3.737 1.00 0.00 C ATOM 1051 CG PHE A 69 -7.804 -3.370 -2.435 1.00 0.00 C ATOM 1052 CD1 PHE A 69 -8.443 -4.422 -1.799 1.00 0.00 C ATOM 1053 CD2 PHE A 69 -6.675 -2.823 -1.847 1.00 0.00 C ATOM 1054 CE1 PHE A 69 -7.965 -4.918 -0.601 1.00 0.00 C ATOM 1055 CE2 PHE A 69 -6.192 -3.314 -0.649 1.00 0.00 C ATOM 1056 CZ PHE A 69 -6.837 -4.365 -0.026 1.00 0.00 C ATOM 0 H PHE A 69 -7.324 -5.425 -4.029 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.474 -3.364 -5.814 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.017 -1.792 -3.842 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -9.417 -2.839 -3.713 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -9.324 -4.859 -2.244 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -6.166 -2.003 -2.331 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -8.473 -5.738 -0.114 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -5.312 -2.877 -0.201 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.460 -4.754 0.909 1.00 0.00 H new ATOM 1066 N ARG A 70 -6.231 -2.143 -5.995 1.00 0.00 N ATOM 1067 CA ARG A 70 -4.902 -1.680 -6.375 1.00 0.00 C ATOM 1068 C ARG A 70 -4.748 -0.187 -6.105 1.00 0.00 C ATOM 1069 O ARG A 70 -5.734 0.548 -6.043 1.00 0.00 O ATOM 1070 CB ARG A 70 -4.641 -1.972 -7.854 1.00 0.00 C ATOM 1071 CG ARG A 70 -5.690 -1.386 -8.785 1.00 0.00 C ATOM 1072 CD ARG A 70 -5.115 -1.098 -10.162 1.00 0.00 C ATOM 1073 NE ARG A 70 -5.807 0.004 -10.825 1.00 0.00 N ATOM 1074 CZ ARG A 70 -5.843 0.162 -12.143 1.00 0.00 C ATOM 1075 NH1 ARG A 70 -5.230 -0.706 -12.936 1.00 0.00 N ATOM 1076 NH2 ARG A 70 -6.494 1.191 -12.672 1.00 0.00 N ATOM 0 H ARG A 70 -6.993 -1.548 -6.320 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.171 -2.217 -5.771 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.663 -1.575 -8.127 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.599 -3.051 -8.001 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.525 -2.080 -8.876 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.086 -0.466 -8.355 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.056 -0.858 -10.069 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.186 -1.994 -10.779 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.289 0.690 -10.244 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -4.729 -1.498 -12.534 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -5.260 -0.582 -13.948 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -6.967 1.861 -12.066 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.521 1.311 -13.685 1.00 0.00 H new ATOM 1090 N ILE A 71 -3.505 0.255 -5.944 1.00 0.00 N ATOM 1091 CA ILE A 71 -3.223 1.661 -5.681 1.00 0.00 C ATOM 1092 C ILE A 71 -2.553 2.321 -6.882 1.00 0.00 C ATOM 1093 O ILE A 71 -1.766 1.693 -7.591 1.00 0.00 O ATOM 1094 CB ILE A 71 -2.320 1.832 -4.446 1.00 0.00 C ATOM 1095 CG1 ILE A 71 -2.741 0.861 -3.341 1.00 0.00 C ATOM 1096 CG2 ILE A 71 -2.373 3.268 -3.945 1.00 0.00 C ATOM 1097 CD1 ILE A 71 -1.770 0.807 -2.182 1.00 0.00 C ATOM 0 H ILE A 71 -2.678 -0.340 -5.991 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.181 2.145 -5.491 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.293 1.605 -4.731 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.723 1.151 -2.968 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.843 -0.138 -3.766 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.729 3.373 -3.072 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -2.030 3.941 -4.731 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.398 3.521 -3.673 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.132 0.099 -1.437 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.792 0.487 -2.541 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.686 1.796 -1.732 1.00 0.00 H new ATOM 1109 N LEU A 72 -2.870 3.592 -7.104 1.00 0.00 N ATOM 1110 CA LEU A 72 -2.298 4.340 -8.218 1.00 0.00 C ATOM 1111 C LEU A 72 -1.922 5.754 -7.789 1.00 0.00 C ATOM 1112 O LEU A 72 -2.639 6.391 -7.016 1.00 0.00 O ATOM 1113 CB LEU A 72 -3.287 4.394 -9.383 1.00 0.00 C ATOM 1114 CG LEU A 72 -4.074 3.112 -9.657 1.00 0.00 C ATOM 1115 CD1 LEU A 72 -5.475 3.439 -10.149 1.00 0.00 C ATOM 1116 CD2 LEU A 72 -3.341 2.242 -10.668 1.00 0.00 C ATOM 0 H LEU A 72 -3.520 4.126 -6.527 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.393 3.826 -8.542 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -3.997 5.199 -9.193 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.739 4.660 -10.287 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.160 2.556 -8.724 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.019 2.514 -10.338 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.000 4.020 -9.391 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.411 4.018 -11.071 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.916 1.334 -10.851 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.223 2.791 -11.602 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -2.359 1.977 -10.276 1.00 0.00 H new ATOM 1128 N HIS A 73 -0.794 6.241 -8.296 1.00 0.00 N ATOM 1129 CA HIS A 73 -0.324 7.582 -7.968 1.00 0.00 C ATOM 1130 C HIS A 73 -0.670 8.567 -9.080 1.00 0.00 C ATOM 1131 O HIS A 73 -1.541 9.423 -8.917 1.00 0.00 O ATOM 1132 CB HIS A 73 1.187 7.573 -7.731 1.00 0.00 C ATOM 1133 CG HIS A 73 1.717 8.864 -7.189 1.00 0.00 C ATOM 1134 ND1 HIS A 73 2.831 9.495 -7.701 1.00 0.00 N ATOM 1135 CD2 HIS A 73 1.277 9.645 -6.175 1.00 0.00 C ATOM 1136 CE1 HIS A 73 3.055 10.606 -7.023 1.00 0.00 C ATOM 1137 NE2 HIS A 73 2.126 10.721 -6.092 1.00 0.00 N ATOM 0 H HIS A 73 -0.188 5.727 -8.936 1.00 0.00 H new ATOM 0 HA HIS A 73 -0.826 7.902 -7.055 1.00 0.00 H new ATOM 0 HB2 HIS A 73 1.433 6.769 -7.037 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.692 7.348 -8.670 1.00 0.00 H new ATOM 0 HD2 HIS A 73 0.418 9.457 -5.548 1.00 0.00 H new ATOM 0 HE1 HIS A 73 3.861 11.302 -7.200 1.00 0.00 H new ATOM 0 HE2 HIS A 73 2.051 11.485 -5.420 1.00 0.00 H new ATOM 1146 N LYS A 74 0.017 8.442 -10.210 1.00 0.00 N ATOM 1147 CA LYS A 74 -0.217 9.320 -11.350 1.00 0.00 C ATOM 1148 C LYS A 74 -0.668 8.521 -12.569 1.00 0.00 C ATOM 1149 O LYS A 74 -0.235 8.784 -13.690 1.00 0.00 O ATOM 1150 CB LYS A 74 1.052 10.107 -11.684 1.00 0.00 C ATOM 1151 CG LYS A 74 1.897 10.442 -10.467 1.00 0.00 C ATOM 1152 CD LYS A 74 1.538 11.804 -9.896 1.00 0.00 C ATOM 1153 CE LYS A 74 0.317 11.725 -8.992 1.00 0.00 C ATOM 1154 NZ LYS A 74 -0.125 13.072 -8.539 1.00 0.00 N ATOM 0 H LYS A 74 0.741 7.740 -10.361 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.010 10.018 -11.081 1.00 0.00 H new ATOM 0 HB2 LYS A 74 1.654 9.530 -12.386 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.774 11.032 -12.189 1.00 0.00 H new ATOM 0 HG2 LYS A 74 1.755 9.677 -9.703 1.00 0.00 H new ATOM 0 HG3 LYS A 74 2.952 10.428 -10.740 1.00 0.00 H new ATOM 0 HD2 LYS A 74 2.384 12.198 -9.333 1.00 0.00 H new ATOM 0 HD3 LYS A 74 1.344 12.502 -10.711 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -0.498 11.235 -9.525 1.00 0.00 H new ATOM 0 HE3 LYS A 74 0.547 11.107 -8.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -0.959 12.975 -7.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 0.644 13.530 -8.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.369 13.654 -9.366 1.00 0.00 H new ATOM 1168 N GLY A 75 -1.541 7.544 -12.341 1.00 0.00 N ATOM 1169 CA GLY A 75 -2.036 6.723 -13.430 1.00 0.00 C ATOM 1170 C GLY A 75 -1.345 5.376 -13.502 1.00 0.00 C ATOM 1171 O GLY A 75 -1.733 4.513 -14.288 1.00 0.00 O ATOM 0 H GLY A 75 -1.914 7.307 -11.422 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.108 6.571 -13.308 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.894 7.251 -14.373 1.00 0.00 H new ATOM 1175 N GLU A 76 -0.316 5.196 -12.679 1.00 0.00 N ATOM 1176 CA GLU A 76 0.433 3.945 -12.655 1.00 0.00 C ATOM 1177 C GLU A 76 -0.020 3.063 -11.495 1.00 0.00 C ATOM 1178 O GLU A 76 -0.975 3.389 -10.791 1.00 0.00 O ATOM 1179 CB GLU A 76 1.933 4.224 -12.543 1.00 0.00 C ATOM 1180 CG GLU A 76 2.654 4.223 -13.880 1.00 0.00 C ATOM 1181 CD GLU A 76 3.974 4.967 -13.832 1.00 0.00 C ATOM 1182 OE1 GLU A 76 4.832 4.600 -13.002 1.00 0.00 O ATOM 1183 OE2 GLU A 76 4.149 5.917 -14.623 1.00 0.00 O ATOM 0 H GLU A 76 0.017 5.900 -12.021 1.00 0.00 H new ATOM 0 HA GLU A 76 0.239 3.417 -13.588 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.079 5.191 -12.062 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.386 3.474 -11.895 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.833 3.194 -14.191 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.012 4.678 -14.635 1.00 0.00 H new ATOM 1190 N GLU A 77 0.673 1.945 -11.304 1.00 0.00 N ATOM 1191 CA GLU A 77 0.342 1.015 -10.231 1.00 0.00 C ATOM 1192 C GLU A 77 1.411 1.037 -9.142 1.00 0.00 C ATOM 1193 O GLU A 77 2.580 0.748 -9.399 1.00 0.00 O ATOM 1194 CB GLU A 77 0.190 -0.404 -10.783 1.00 0.00 C ATOM 1195 CG GLU A 77 -0.197 -1.429 -9.731 1.00 0.00 C ATOM 1196 CD GLU A 77 -0.212 -2.845 -10.273 1.00 0.00 C ATOM 1197 OE1 GLU A 77 0.825 -3.286 -10.811 1.00 0.00 O ATOM 1198 OE2 GLU A 77 -1.261 -3.512 -10.159 1.00 0.00 O ATOM 0 H GLU A 77 1.467 1.661 -11.878 1.00 0.00 H new ATOM 0 HA GLU A 77 -0.605 1.330 -9.793 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -0.565 -0.400 -11.569 1.00 0.00 H new ATOM 0 HB3 GLU A 77 1.129 -0.707 -11.245 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.503 -1.371 -8.898 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.183 -1.185 -9.337 1.00 0.00 H new ATOM 1205 N LEU A 78 1.002 1.383 -7.926 1.00 0.00 N ATOM 1206 CA LEU A 78 1.924 1.444 -6.797 1.00 0.00 C ATOM 1207 C LEU A 78 1.966 0.111 -6.056 1.00 0.00 C ATOM 1208 O LEU A 78 3.039 -0.411 -5.758 1.00 0.00 O ATOM 1209 CB LEU A 78 1.513 2.562 -5.838 1.00 0.00 C ATOM 1210 CG LEU A 78 1.745 3.990 -6.332 1.00 0.00 C ATOM 1211 CD1 LEU A 78 3.159 4.445 -6.007 1.00 0.00 C ATOM 1212 CD2 LEU A 78 1.482 4.085 -7.828 1.00 0.00 C ATOM 0 H LEU A 78 0.038 1.626 -7.697 1.00 0.00 H new ATOM 0 HA LEU A 78 2.921 1.655 -7.184 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.454 2.446 -5.609 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.057 2.430 -4.903 1.00 0.00 H new ATOM 0 HG LEU A 78 1.047 4.650 -5.817 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.305 5.464 -6.366 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.312 4.415 -4.928 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.875 3.783 -6.493 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.652 5.108 -8.163 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.156 3.413 -8.359 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.450 3.802 -8.035 1.00 0.00 H new ATOM 1224 N ALA A 79 0.790 -0.435 -5.764 1.00 0.00 N ATOM 1225 CA ALA A 79 0.692 -1.708 -5.062 1.00 0.00 C ATOM 1226 C ALA A 79 -0.655 -2.375 -5.320 1.00 0.00 C ATOM 1227 O ALA A 79 -1.681 -1.704 -5.431 1.00 0.00 O ATOM 1228 CB ALA A 79 0.906 -1.506 -3.569 1.00 0.00 C ATOM 0 H ALA A 79 -0.108 -0.015 -6.003 1.00 0.00 H new ATOM 0 HA ALA A 79 1.473 -2.366 -5.444 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.830 -2.465 -3.057 1.00 0.00 H new ATOM 0 HB2 ALA A 79 1.895 -1.081 -3.397 1.00 0.00 H new ATOM 0 HB3 ALA A 79 0.147 -0.827 -3.181 1.00 0.00 H new ATOM 1234 N LYS A 80 -0.644 -3.701 -5.415 1.00 0.00 N ATOM 1235 CA LYS A 80 -1.865 -4.460 -5.659 1.00 0.00 C ATOM 1236 C LYS A 80 -2.067 -5.526 -4.586 1.00 0.00 C ATOM 1237 O LYS A 80 -1.313 -6.496 -4.512 1.00 0.00 O ATOM 1238 CB LYS A 80 -1.814 -5.116 -7.041 1.00 0.00 C ATOM 1239 CG LYS A 80 -3.127 -5.754 -7.460 1.00 0.00 C ATOM 1240 CD LYS A 80 -3.302 -5.731 -8.969 1.00 0.00 C ATOM 1241 CE LYS A 80 -4.625 -6.354 -9.387 1.00 0.00 C ATOM 1242 NZ LYS A 80 -4.737 -6.477 -10.867 1.00 0.00 N ATOM 0 H LYS A 80 0.197 -4.272 -5.327 1.00 0.00 H new ATOM 0 HA LYS A 80 -2.707 -3.768 -5.622 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.532 -4.366 -7.780 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.033 -5.876 -7.045 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.162 -6.784 -7.105 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -3.956 -5.226 -6.989 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.254 -4.702 -9.326 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.480 -6.270 -9.440 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.722 -7.340 -8.932 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.448 -5.747 -9.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -5.652 -6.906 -11.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -4.670 -5.534 -11.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -3.967 -7.077 -11.225 1.00 0.00 H new ATOM 1256 N LEU A 81 -3.089 -5.339 -3.759 1.00 0.00 N ATOM 1257 CA LEU A 81 -3.392 -6.285 -2.691 1.00 0.00 C ATOM 1258 C LEU A 81 -4.740 -6.958 -2.925 1.00 0.00 C ATOM 1259 O LEU A 81 -5.584 -6.440 -3.656 1.00 0.00 O ATOM 1260 CB LEU A 81 -3.392 -5.574 -1.337 1.00 0.00 C ATOM 1261 CG LEU A 81 -2.237 -4.603 -1.089 1.00 0.00 C ATOM 1262 CD1 LEU A 81 -0.959 -5.118 -1.733 1.00 0.00 C ATOM 1263 CD2 LEU A 81 -2.582 -3.218 -1.616 1.00 0.00 C ATOM 0 H LEU A 81 -3.722 -4.541 -3.807 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.619 -7.053 -2.691 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.329 -5.026 -1.237 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.380 -6.330 -0.552 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.073 -4.530 -0.014 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.148 -4.414 -1.546 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.703 -6.088 -1.308 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.109 -5.221 -2.808 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.749 -2.540 -1.431 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.773 -3.274 -2.688 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.472 -2.846 -1.108 1.00 0.00 H new ATOM 1275 N GLU A 82 -4.937 -8.113 -2.297 1.00 0.00 N ATOM 1276 CA GLU A 82 -6.184 -8.855 -2.437 1.00 0.00 C ATOM 1277 C GLU A 82 -6.653 -9.390 -1.086 1.00 0.00 C ATOM 1278 O GLU A 82 -5.852 -9.867 -0.284 1.00 0.00 O ATOM 1279 CB GLU A 82 -6.008 -10.012 -3.422 1.00 0.00 C ATOM 1280 CG GLU A 82 -6.892 -11.210 -3.120 1.00 0.00 C ATOM 1281 CD GLU A 82 -6.648 -12.370 -4.065 1.00 0.00 C ATOM 1282 OE1 GLU A 82 -6.842 -12.190 -5.286 1.00 0.00 O ATOM 1283 OE2 GLU A 82 -6.262 -13.456 -3.585 1.00 0.00 O ATOM 0 H GLU A 82 -4.249 -8.555 -1.687 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.942 -8.172 -2.822 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.225 -9.656 -4.429 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.965 -10.330 -3.414 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.715 -11.538 -2.096 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -7.938 -10.910 -3.182 1.00 0.00 H new ATOM 1290 N ALA A 83 -7.957 -9.306 -0.844 1.00 0.00 N ATOM 1291 CA ALA A 83 -8.534 -9.782 0.407 1.00 0.00 C ATOM 1292 C ALA A 83 -9.078 -11.198 0.257 1.00 0.00 C ATOM 1293 O ALA A 83 -8.906 -11.834 -0.784 1.00 0.00 O ATOM 1294 CB ALA A 83 -9.632 -8.839 0.875 1.00 0.00 C ATOM 0 H ALA A 83 -8.634 -8.913 -1.498 1.00 0.00 H new ATOM 0 HA ALA A 83 -7.744 -9.802 1.158 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -10.054 -9.207 1.810 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -9.215 -7.844 1.032 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -10.415 -8.789 0.119 1.00 0.00 H new ATOM 1300 N LYS A 84 -9.735 -11.689 1.303 1.00 0.00 N ATOM 1301 CA LYS A 84 -10.306 -13.030 1.287 1.00 0.00 C ATOM 1302 C LYS A 84 -11.808 -12.979 1.027 1.00 0.00 C ATOM 1303 O LYS A 84 -12.391 -13.934 0.513 1.00 0.00 O ATOM 1304 CB LYS A 84 -10.032 -13.738 2.616 1.00 0.00 C ATOM 1305 CG LYS A 84 -10.879 -13.222 3.767 1.00 0.00 C ATOM 1306 CD LYS A 84 -11.150 -14.310 4.792 1.00 0.00 C ATOM 1307 CE LYS A 84 -9.908 -14.627 5.611 1.00 0.00 C ATOM 1308 NZ LYS A 84 -9.038 -15.628 4.934 1.00 0.00 N ATOM 0 H LYS A 84 -9.885 -11.177 2.173 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.834 -13.589 0.479 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -10.213 -14.806 2.493 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -8.979 -13.620 2.870 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -10.370 -12.386 4.248 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -11.824 -12.840 3.382 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -11.954 -13.993 5.456 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -11.492 -15.212 4.285 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -9.342 -13.711 5.782 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -10.205 -15.006 6.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -8.503 -16.162 5.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -9.627 -16.283 4.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -8.375 -15.139 4.299 1.00 0.00 H new ATOM 1322 N SER A 85 -12.429 -11.859 1.383 1.00 0.00 N ATOM 1323 CA SER A 85 -13.864 -11.685 1.189 1.00 0.00 C ATOM 1324 C SER A 85 -14.189 -10.245 0.803 1.00 0.00 C ATOM 1325 O SER A 85 -13.322 -9.371 0.835 1.00 0.00 O ATOM 1326 CB SER A 85 -14.621 -12.067 2.462 1.00 0.00 C ATOM 1327 OG SER A 85 -16.021 -11.937 2.281 1.00 0.00 O ATOM 0 H SER A 85 -11.961 -11.058 1.807 1.00 0.00 H new ATOM 0 HA SER A 85 -14.179 -12.340 0.377 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.381 -13.094 2.738 1.00 0.00 H new ATOM 0 HB3 SER A 85 -14.297 -11.431 3.286 1.00 0.00 H new ATOM 0 HG SER A 85 -16.483 -12.189 3.108 1.00 0.00 H new ATOM 1333 N SER A 86 -15.445 -10.006 0.439 1.00 0.00 N ATOM 1334 CA SER A 86 -15.885 -8.674 0.042 1.00 0.00 C ATOM 1335 C SER A 86 -15.818 -7.707 1.221 1.00 0.00 C ATOM 1336 O SER A 86 -15.334 -6.583 1.088 1.00 0.00 O ATOM 1337 CB SER A 86 -17.312 -8.728 -0.507 1.00 0.00 C ATOM 1338 OG SER A 86 -17.854 -7.426 -0.648 1.00 0.00 O ATOM 0 H SER A 86 -16.175 -10.717 0.411 1.00 0.00 H new ATOM 0 HA SER A 86 -15.216 -8.315 -0.740 1.00 0.00 H new ATOM 0 HB2 SER A 86 -17.314 -9.233 -1.473 1.00 0.00 H new ATOM 0 HB3 SER A 86 -17.940 -9.316 0.162 1.00 0.00 H new ATOM 0 HG SER A 86 -18.766 -7.488 -1.002 1.00 0.00 H new ATOM 1344 N GLU A 87 -16.308 -8.153 2.373 1.00 0.00 N ATOM 1345 CA GLU A 87 -16.305 -7.327 3.575 1.00 0.00 C ATOM 1346 C GLU A 87 -14.883 -6.930 3.958 1.00 0.00 C ATOM 1347 O GLU A 87 -14.645 -5.822 4.439 1.00 0.00 O ATOM 1348 CB GLU A 87 -16.969 -8.072 4.734 1.00 0.00 C ATOM 1349 CG GLU A 87 -18.484 -8.128 4.635 1.00 0.00 C ATOM 1350 CD GLU A 87 -18.961 -8.712 3.320 1.00 0.00 C ATOM 1351 OE1 GLU A 87 -19.052 -7.954 2.332 1.00 0.00 O ATOM 1352 OE2 GLU A 87 -19.244 -9.928 3.280 1.00 0.00 O ATOM 0 H GLU A 87 -16.712 -9.081 2.500 1.00 0.00 H new ATOM 0 HA GLU A 87 -16.872 -6.420 3.364 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -16.578 -9.089 4.772 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -16.692 -7.589 5.671 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -18.876 -8.726 5.457 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -18.889 -7.123 4.750 1.00 0.00 H new ATOM 1359 N GLU A 88 -13.941 -7.843 3.742 1.00 0.00 N ATOM 1360 CA GLU A 88 -12.542 -7.588 4.066 1.00 0.00 C ATOM 1361 C GLU A 88 -11.978 -6.466 3.200 1.00 0.00 C ATOM 1362 O GLU A 88 -11.411 -5.500 3.708 1.00 0.00 O ATOM 1363 CB GLU A 88 -11.712 -8.860 3.878 1.00 0.00 C ATOM 1364 CG GLU A 88 -10.286 -8.737 4.385 1.00 0.00 C ATOM 1365 CD GLU A 88 -9.633 -10.084 4.626 1.00 0.00 C ATOM 1366 OE1 GLU A 88 -9.865 -10.673 5.702 1.00 0.00 O ATOM 1367 OE2 GLU A 88 -8.891 -10.550 3.736 1.00 0.00 O ATOM 0 H GLU A 88 -14.121 -8.765 3.344 1.00 0.00 H new ATOM 0 HA GLU A 88 -12.488 -7.279 5.110 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -12.203 -9.684 4.396 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.691 -9.117 2.819 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.695 -8.175 3.662 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -10.283 -8.165 5.313 1.00 0.00 H new ATOM 1374 N MET A 89 -12.138 -6.603 1.887 1.00 0.00 N ATOM 1375 CA MET A 89 -11.645 -5.601 0.949 1.00 0.00 C ATOM 1376 C MET A 89 -12.257 -4.235 1.242 1.00 0.00 C ATOM 1377 O MET A 89 -11.635 -3.201 1.001 1.00 0.00 O ATOM 1378 CB MET A 89 -11.963 -6.017 -0.488 1.00 0.00 C ATOM 1379 CG MET A 89 -13.435 -5.888 -0.847 1.00 0.00 C ATOM 1380 SD MET A 89 -13.696 -5.581 -2.605 1.00 0.00 S ATOM 1381 CE MET A 89 -12.547 -4.237 -2.889 1.00 0.00 C ATOM 0 H MET A 89 -12.605 -7.397 1.449 1.00 0.00 H new ATOM 0 HA MET A 89 -10.564 -5.529 1.068 1.00 0.00 H new ATOM 0 HB2 MET A 89 -11.376 -5.406 -1.173 1.00 0.00 H new ATOM 0 HB3 MET A 89 -11.651 -7.051 -0.636 1.00 0.00 H new ATOM 0 HG2 MET A 89 -13.956 -6.801 -0.560 1.00 0.00 H new ATOM 0 HG3 MET A 89 -13.876 -5.075 -0.271 1.00 0.00 H new ATOM 0 HE1 MET A 89 -12.924 -3.599 -3.689 1.00 0.00 H new ATOM 0 HE2 MET A 89 -12.441 -3.650 -1.977 1.00 0.00 H new ATOM 0 HE3 MET A 89 -11.576 -4.642 -3.175 1.00 0.00 H new ATOM 1391 N GLY A 90 -13.480 -4.238 1.764 1.00 0.00 N ATOM 1392 CA GLY A 90 -14.155 -2.993 2.081 1.00 0.00 C ATOM 1393 C GLY A 90 -13.529 -2.279 3.263 1.00 0.00 C ATOM 1394 O GLY A 90 -13.651 -1.061 3.397 1.00 0.00 O ATOM 0 H GLY A 90 -14.015 -5.081 1.973 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -14.130 -2.338 1.210 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -15.204 -3.197 2.297 1.00 0.00 H new ATOM 1398 N HIS A 91 -12.858 -3.038 4.124 1.00 0.00 N ATOM 1399 CA HIS A 91 -12.212 -2.470 5.301 1.00 0.00 C ATOM 1400 C HIS A 91 -10.860 -1.863 4.939 1.00 0.00 C ATOM 1401 O HIS A 91 -10.398 -0.923 5.586 1.00 0.00 O ATOM 1402 CB HIS A 91 -12.031 -3.541 6.377 1.00 0.00 C ATOM 1403 CG HIS A 91 -10.991 -3.196 7.398 1.00 0.00 C ATOM 1404 ND1 HIS A 91 -11.255 -2.424 8.509 1.00 0.00 N ATOM 1405 CD2 HIS A 91 -9.680 -3.523 7.471 1.00 0.00 C ATOM 1406 CE1 HIS A 91 -10.151 -2.290 9.222 1.00 0.00 C ATOM 1407 NE2 HIS A 91 -9.180 -2.948 8.614 1.00 0.00 N ATOM 0 H HIS A 91 -12.748 -4.047 4.028 1.00 0.00 H new ATOM 0 HA HIS A 91 -12.853 -1.679 5.690 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -12.984 -3.702 6.881 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -11.760 -4.482 5.899 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -9.129 -4.124 6.763 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -10.058 -1.737 10.145 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -8.216 -3.018 8.940 1.00 0.00 H new ATOM 1416 N TRP A 92 -10.232 -2.406 3.903 1.00 0.00 N ATOM 1417 CA TRP A 92 -8.932 -1.918 3.456 1.00 0.00 C ATOM 1418 C TRP A 92 -9.088 -0.685 2.573 1.00 0.00 C ATOM 1419 O TRP A 92 -8.389 0.313 2.754 1.00 0.00 O ATOM 1420 CB TRP A 92 -8.187 -3.015 2.694 1.00 0.00 C ATOM 1421 CG TRP A 92 -7.531 -4.021 3.590 1.00 0.00 C ATOM 1422 CD1 TRP A 92 -8.078 -5.183 4.056 1.00 0.00 C ATOM 1423 CD2 TRP A 92 -6.208 -3.953 4.131 1.00 0.00 C ATOM 1424 NE1 TRP A 92 -7.173 -5.842 4.853 1.00 0.00 N ATOM 1425 CE2 TRP A 92 -6.018 -5.108 4.915 1.00 0.00 C ATOM 1426 CE3 TRP A 92 -5.163 -3.031 4.028 1.00 0.00 C ATOM 1427 CZ2 TRP A 92 -4.827 -5.362 5.591 1.00 0.00 C ATOM 1428 CZ3 TRP A 92 -3.982 -3.283 4.700 1.00 0.00 C ATOM 1429 CH2 TRP A 92 -3.822 -4.441 5.472 1.00 0.00 C ATOM 0 H TRP A 92 -10.601 -3.184 3.357 1.00 0.00 H new ATOM 0 HA TRP A 92 -8.353 -1.640 4.337 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -8.887 -3.528 2.034 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -7.429 -2.556 2.059 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -9.075 -5.532 3.831 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -7.335 -6.733 5.322 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -5.276 -2.137 3.433 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -4.701 -6.254 6.187 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -3.169 -2.576 4.629 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -2.886 -4.610 5.984 1.00 0.00 H new ATOM 1440 N LEU A 93 -10.008 -0.759 1.618 1.00 0.00 N ATOM 1441 CA LEU A 93 -10.257 0.353 0.707 1.00 0.00 C ATOM 1442 C LEU A 93 -10.305 1.677 1.463 1.00 0.00 C ATOM 1443 O LEU A 93 -9.548 2.601 1.167 1.00 0.00 O ATOM 1444 CB LEU A 93 -11.569 0.136 -0.049 1.00 0.00 C ATOM 1445 CG LEU A 93 -11.491 -0.759 -1.286 1.00 0.00 C ATOM 1446 CD1 LEU A 93 -12.854 -0.869 -1.952 1.00 0.00 C ATOM 1447 CD2 LEU A 93 -10.457 -0.225 -2.267 1.00 0.00 C ATOM 0 H LEU A 93 -10.594 -1.577 1.454 1.00 0.00 H new ATOM 0 HA LEU A 93 -9.436 0.394 -0.008 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -12.295 -0.294 0.641 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -11.955 1.109 -0.353 1.00 0.00 H new ATOM 0 HG LEU A 93 -11.182 -1.756 -0.971 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -12.779 -1.510 -2.831 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -13.569 -1.298 -1.250 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -13.193 0.122 -2.254 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -10.415 -0.875 -3.141 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -10.735 0.782 -2.577 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -9.479 -0.200 -1.787 1.00 0.00 H new ATOM 1459 N GLY A 94 -11.199 1.760 2.443 1.00 0.00 N ATOM 1460 CA GLY A 94 -11.328 2.974 3.228 1.00 0.00 C ATOM 1461 C GLY A 94 -10.121 3.225 4.111 1.00 0.00 C ATOM 1462 O GLY A 94 -9.743 4.373 4.346 1.00 0.00 O ATOM 0 H GLY A 94 -11.836 1.009 2.708 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -11.467 3.823 2.558 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -12.221 2.908 3.849 1.00 0.00 H new ATOM 1466 N LEU A 95 -9.516 2.149 4.602 1.00 0.00 N ATOM 1467 CA LEU A 95 -8.345 2.257 5.466 1.00 0.00 C ATOM 1468 C LEU A 95 -7.202 2.966 4.747 1.00 0.00 C ATOM 1469 O LEU A 95 -6.669 3.962 5.237 1.00 0.00 O ATOM 1470 CB LEU A 95 -7.893 0.869 5.922 1.00 0.00 C ATOM 1471 CG LEU A 95 -6.493 0.785 6.529 1.00 0.00 C ATOM 1472 CD1 LEU A 95 -6.551 0.988 8.035 1.00 0.00 C ATOM 1473 CD2 LEU A 95 -5.845 -0.551 6.195 1.00 0.00 C ATOM 0 H LEU A 95 -9.817 1.192 4.417 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.622 2.847 6.340 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -8.608 0.499 6.656 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -7.937 0.195 5.066 1.00 0.00 H new ATOM 0 HG LEU A 95 -5.884 1.580 6.098 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.545 0.925 8.450 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -6.973 1.969 8.254 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.177 0.216 8.482 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -4.849 -0.592 6.636 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -6.454 -1.361 6.597 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -5.768 -0.658 5.113 1.00 0.00 H new ATOM 1485 N LEU A 96 -6.832 2.448 3.581 1.00 0.00 N ATOM 1486 CA LEU A 96 -5.753 3.032 2.792 1.00 0.00 C ATOM 1487 C LEU A 96 -6.097 4.457 2.370 1.00 0.00 C ATOM 1488 O LEU A 96 -5.299 5.379 2.549 1.00 0.00 O ATOM 1489 CB LEU A 96 -5.476 2.175 1.556 1.00 0.00 C ATOM 1490 CG LEU A 96 -4.946 0.765 1.822 1.00 0.00 C ATOM 1491 CD1 LEU A 96 -5.257 -0.152 0.650 1.00 0.00 C ATOM 1492 CD2 LEU A 96 -3.448 0.801 2.091 1.00 0.00 C ATOM 0 H LEU A 96 -7.263 1.625 3.161 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.858 3.062 3.413 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -6.399 2.092 0.982 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.756 2.700 0.928 1.00 0.00 H new ATOM 0 HG LEU A 96 -5.445 0.371 2.707 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.872 -1.151 0.857 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.336 -0.202 0.503 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -4.786 0.238 -0.252 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.088 -0.210 2.278 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.933 1.215 1.225 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.250 1.424 2.963 1.00 0.00 H new ATOM 1504 N LEU A 97 -7.290 4.631 1.812 1.00 0.00 N ATOM 1505 CA LEU A 97 -7.741 5.945 1.366 1.00 0.00 C ATOM 1506 C LEU A 97 -7.511 6.996 2.447 1.00 0.00 C ATOM 1507 O LEU A 97 -6.952 8.060 2.184 1.00 0.00 O ATOM 1508 CB LEU A 97 -9.224 5.896 0.993 1.00 0.00 C ATOM 1509 CG LEU A 97 -9.542 5.470 -0.440 1.00 0.00 C ATOM 1510 CD1 LEU A 97 -10.959 4.925 -0.533 1.00 0.00 C ATOM 1511 CD2 LEU A 97 -9.354 6.637 -1.398 1.00 0.00 C ATOM 0 H LEU A 97 -7.962 3.879 1.658 1.00 0.00 H new ATOM 0 HA LEU A 97 -7.160 6.223 0.487 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -9.727 5.210 1.675 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.653 6.884 1.161 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.850 4.677 -0.725 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -11.167 4.627 -1.560 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -11.060 4.061 0.123 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -11.666 5.696 -0.229 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -9.585 6.315 -2.413 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -10.021 7.451 -1.115 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -8.321 6.982 -1.353 1.00 0.00 H new ATOM 1523 N SER A 98 -7.944 6.688 3.666 1.00 0.00 N ATOM 1524 CA SER A 98 -7.787 7.607 4.787 1.00 0.00 C ATOM 1525 C SER A 98 -6.350 8.110 4.880 1.00 0.00 C ATOM 1526 O SER A 98 -6.107 9.313 4.963 1.00 0.00 O ATOM 1527 CB SER A 98 -8.184 6.920 6.096 1.00 0.00 C ATOM 1528 OG SER A 98 -9.551 6.544 6.080 1.00 0.00 O ATOM 0 H SER A 98 -8.406 5.810 3.902 1.00 0.00 H new ATOM 0 HA SER A 98 -8.443 8.461 4.619 1.00 0.00 H new ATOM 0 HB2 SER A 98 -7.563 6.038 6.251 1.00 0.00 H new ATOM 0 HB3 SER A 98 -7.998 7.592 6.934 1.00 0.00 H new ATOM 0 HG SER A 98 -9.673 5.780 5.479 1.00 0.00 H new ATOM 1534 N GLU A 99 -5.401 7.178 4.864 1.00 0.00 N ATOM 1535 CA GLU A 99 -3.988 7.527 4.948 1.00 0.00 C ATOM 1536 C GLU A 99 -3.526 8.234 3.677 1.00 0.00 C ATOM 1537 O GLU A 99 -3.070 9.377 3.720 1.00 0.00 O ATOM 1538 CB GLU A 99 -3.143 6.273 5.182 1.00 0.00 C ATOM 1539 CG GLU A 99 -3.530 5.503 6.434 1.00 0.00 C ATOM 1540 CD GLU A 99 -3.061 6.183 7.705 1.00 0.00 C ATOM 1541 OE1 GLU A 99 -1.860 6.069 8.029 1.00 0.00 O ATOM 1542 OE2 GLU A 99 -3.893 6.827 8.376 1.00 0.00 O ATOM 0 H GLU A 99 -5.585 6.177 4.794 1.00 0.00 H new ATOM 0 HA GLU A 99 -3.858 8.207 5.790 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -3.237 5.615 4.318 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -2.094 6.560 5.252 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -4.614 5.389 6.466 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -3.106 4.500 6.385 1.00 0.00 H new ATOM 1549 N SER A 100 -3.648 7.546 2.546 1.00 0.00 N ATOM 1550 CA SER A 100 -3.239 8.105 1.263 1.00 0.00 C ATOM 1551 C SER A 100 -4.058 9.347 0.926 1.00 0.00 C ATOM 1552 O SER A 100 -5.139 9.254 0.345 1.00 0.00 O ATOM 1553 CB SER A 100 -3.395 7.062 0.155 1.00 0.00 C ATOM 1554 OG SER A 100 -3.714 7.675 -1.082 1.00 0.00 O ATOM 0 H SER A 100 -4.027 6.600 2.492 1.00 0.00 H new ATOM 0 HA SER A 100 -2.190 8.391 1.338 1.00 0.00 H new ATOM 0 HB2 SER A 100 -2.471 6.493 0.055 1.00 0.00 H new ATOM 0 HB3 SER A 100 -4.178 6.354 0.426 1.00 0.00 H new ATOM 0 HG SER A 100 -4.539 8.195 -0.986 1.00 0.00 H new ATOM 1560 N GLY A 101 -3.535 10.512 1.297 1.00 0.00 N ATOM 1561 CA GLY A 101 -4.229 11.757 1.026 1.00 0.00 C ATOM 1562 C GLY A 101 -3.362 12.973 1.284 1.00 0.00 C ATOM 1563 O GLY A 101 -3.234 13.423 2.422 1.00 0.00 O ATOM 0 H GLY A 101 -2.643 10.615 1.780 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -4.561 11.765 -0.012 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.123 11.814 1.647 1.00 0.00 H new ATOM 1567 N SER A 102 -2.762 13.506 0.223 1.00 0.00 N ATOM 1568 CA SER A 102 -1.897 14.674 0.341 1.00 0.00 C ATOM 1569 C SER A 102 -2.625 15.821 1.035 1.00 0.00 C ATOM 1570 O SER A 102 -2.184 16.313 2.073 1.00 0.00 O ATOM 1571 CB SER A 102 -1.418 15.121 -1.042 1.00 0.00 C ATOM 1572 OG SER A 102 -0.632 16.296 -0.953 1.00 0.00 O ATOM 0 H SER A 102 -2.859 13.147 -0.727 1.00 0.00 H new ATOM 0 HA SER A 102 -1.033 14.397 0.945 1.00 0.00 H new ATOM 0 HB2 SER A 102 -0.835 14.324 -1.504 1.00 0.00 H new ATOM 0 HB3 SER A 102 -2.278 15.302 -1.687 1.00 0.00 H new ATOM 0 HG SER A 102 -0.337 16.561 -1.849 1.00 0.00 H new ATOM 1578 N GLY A 103 -3.743 16.243 0.453 1.00 0.00 N ATOM 1579 CA GLY A 103 -4.515 17.329 1.028 1.00 0.00 C ATOM 1580 C GLY A 103 -5.875 17.483 0.377 1.00 0.00 C ATOM 1581 O GLY A 103 -6.293 16.660 -0.438 1.00 0.00 O ATOM 0 H GLY A 103 -4.128 15.852 -0.407 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -4.645 17.152 2.096 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -3.959 18.261 0.924 1.00 0.00 H new ATOM 1585 N PRO A 104 -6.590 18.558 0.738 1.00 0.00 N ATOM 1586 CA PRO A 104 -7.923 18.841 0.196 1.00 0.00 C ATOM 1587 C PRO A 104 -7.876 19.245 -1.274 1.00 0.00 C ATOM 1588 O PRO A 104 -6.804 19.317 -1.874 1.00 0.00 O ATOM 1589 CB PRO A 104 -8.415 20.009 1.055 1.00 0.00 C ATOM 1590 CG PRO A 104 -7.172 20.675 1.537 1.00 0.00 C ATOM 1591 CD PRO A 104 -6.154 19.581 1.704 1.00 0.00 C ATOM 0 HA PRO A 104 -8.572 17.966 0.231 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -9.032 20.695 0.475 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -9.025 19.659 1.888 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -6.828 21.423 0.822 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -7.347 21.192 2.480 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -5.146 19.934 1.488 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -6.144 19.193 2.723 1.00 0.00 H new ATOM 1599 N SER A 105 -9.046 19.507 -1.848 1.00 0.00 N ATOM 1600 CA SER A 105 -9.139 19.899 -3.250 1.00 0.00 C ATOM 1601 C SER A 105 -8.823 21.382 -3.420 1.00 0.00 C ATOM 1602 O SER A 105 -8.030 21.764 -4.280 1.00 0.00 O ATOM 1603 CB SER A 105 -10.536 19.598 -3.794 1.00 0.00 C ATOM 1604 OG SER A 105 -11.522 20.362 -3.121 1.00 0.00 O ATOM 0 H SER A 105 -9.942 19.455 -1.364 1.00 0.00 H new ATOM 0 HA SER A 105 -8.406 19.322 -3.813 1.00 0.00 H new ATOM 0 HB2 SER A 105 -10.569 19.816 -4.861 1.00 0.00 H new ATOM 0 HB3 SER A 105 -10.753 18.536 -3.679 1.00 0.00 H new ATOM 0 HG SER A 105 -12.406 20.152 -3.489 1.00 0.00 H new ATOM 1610 N SER A 106 -9.450 22.213 -2.594 1.00 0.00 N ATOM 1611 CA SER A 106 -9.240 23.655 -2.654 1.00 0.00 C ATOM 1612 C SER A 106 -7.751 23.988 -2.639 1.00 0.00 C ATOM 1613 O SER A 106 -7.030 23.615 -1.715 1.00 0.00 O ATOM 1614 CB SER A 106 -9.940 24.343 -1.481 1.00 0.00 C ATOM 1615 OG SER A 106 -9.390 23.927 -0.243 1.00 0.00 O ATOM 0 H SER A 106 -10.108 21.912 -1.875 1.00 0.00 H new ATOM 0 HA SER A 106 -9.667 24.021 -3.588 1.00 0.00 H new ATOM 0 HB2 SER A 106 -9.844 25.424 -1.580 1.00 0.00 H new ATOM 0 HB3 SER A 106 -11.005 24.114 -1.504 1.00 0.00 H new ATOM 0 HG SER A 106 -8.445 23.699 -0.365 1.00 0.00 H new ATOM 1621 N GLY A 107 -7.299 24.694 -3.671 1.00 0.00 N ATOM 1622 CA GLY A 107 -5.899 25.066 -3.758 1.00 0.00 C ATOM 1623 C GLY A 107 -5.495 26.061 -2.688 1.00 0.00 C ATOM 1624 O GLY A 107 -4.567 26.845 -2.879 1.00 0.00 O ATOM 0 H GLY A 107 -7.877 25.015 -4.448 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -5.283 24.171 -3.669 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -5.700 25.494 -4.741 1.00 0.00 H new TER 1628 GLY A 107