USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 688 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 ASN :FLIP amide:sc=-0.00579 F(o=-0.64,f=-0.011) USER MOD Set 1.2: A 42 GLN :FLIP amide:sc=-0.00549 X(o=-0.47,f=-0.011) USER MOD Set 2.1: A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS :FLIP no HD1:sc= -3.39! C(o=-3.9!,f=-3.4!) USER MOD Single : A 22 GLN : amide:sc= -0.0891 K(o=-0.089,f=-1.9!) USER MOD Single : A 32 GLN : amide:sc= -0.114 K(o=-0.11,f=-1.7!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0.0378 USER MOD Single : A 47 ASN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0411 USER MOD Single : A 52 THR OG1 : rot -73:sc= 0.563 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= -0.174 USER MOD Single : A 66 SER OG : rot 140:sc= 0.978 USER MOD Single : A 69 TYR OH : rot -22:sc= 1.3 USER MOD Single : A 73 THR OG1 : rot 32:sc= 0.164 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 2:sc= 0.523 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.152 USER MOD Single : A 82 THR OG1 : rot 92:sc= 1.41 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc=-0.00963 X(o=-0.0096,f=-0.24) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 11:sc= 0.197 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.562 21.724 -7.764 1.00 0.00 N ATOM 2 CA GLY A 1 14.214 21.299 -8.094 1.00 0.00 C ATOM 3 C GLY A 1 14.194 20.062 -8.969 1.00 0.00 C ATOM 4 O GLY A 1 13.873 20.138 -10.155 1.00 0.00 O ATOM 0 H1 GLY A 1 15.521 22.573 -7.165 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.051 20.962 -7.252 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.081 21.942 -8.638 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.664 21.099 -7.174 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.695 22.110 -8.605 1.00 0.00 H new ATOM 8 N SER A 2 14.540 18.919 -8.385 1.00 0.00 N ATOM 9 CA SER A 2 14.565 17.661 -9.122 1.00 0.00 C ATOM 10 C SER A 2 15.550 17.733 -10.285 1.00 0.00 C ATOM 11 O SER A 2 15.225 17.357 -11.411 1.00 0.00 O ATOM 12 CB SER A 2 13.167 17.322 -9.642 1.00 0.00 C ATOM 13 OG SER A 2 12.994 15.920 -9.761 1.00 0.00 O ATOM 0 H SER A 2 14.807 18.838 -7.404 1.00 0.00 H new ATOM 0 HA SER A 2 14.891 16.875 -8.441 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.415 17.728 -8.965 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.012 17.795 -10.612 1.00 0.00 H new ATOM 0 HG SER A 2 12.092 15.729 -10.094 1.00 0.00 H new ATOM 19 N SER A 3 16.754 18.219 -10.004 1.00 0.00 N ATOM 20 CA SER A 3 17.786 18.344 -11.026 1.00 0.00 C ATOM 21 C SER A 3 18.815 17.225 -10.901 1.00 0.00 C ATOM 22 O SER A 3 19.255 16.656 -11.899 1.00 0.00 O ATOM 23 CB SER A 3 18.480 19.704 -10.917 1.00 0.00 C ATOM 24 OG SER A 3 17.533 20.757 -10.865 1.00 0.00 O ATOM 0 H SER A 3 17.039 18.533 -9.076 1.00 0.00 H new ATOM 0 HA SER A 3 17.306 18.265 -12.002 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.104 19.727 -10.023 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.142 19.848 -11.771 1.00 0.00 H new ATOM 0 HG SER A 3 18.001 21.615 -10.794 1.00 0.00 H new ATOM 30 N GLY A 4 19.194 16.913 -9.664 1.00 0.00 N ATOM 31 CA GLY A 4 20.167 15.863 -9.429 1.00 0.00 C ATOM 32 C GLY A 4 19.608 14.731 -8.591 1.00 0.00 C ATOM 33 O GLY A 4 18.488 14.817 -8.089 1.00 0.00 O ATOM 0 H GLY A 4 18.844 17.369 -8.822 1.00 0.00 H new ATOM 0 HA2 GLY A 4 20.509 15.468 -10.386 1.00 0.00 H new ATOM 0 HA3 GLY A 4 21.039 16.285 -8.929 1.00 0.00 H new ATOM 37 N SER A 5 20.389 13.666 -8.442 1.00 0.00 N ATOM 38 CA SER A 5 19.963 12.509 -7.664 1.00 0.00 C ATOM 39 C SER A 5 19.122 12.939 -6.466 1.00 0.00 C ATOM 40 O SER A 5 19.503 13.840 -5.718 1.00 0.00 O ATOM 41 CB SER A 5 21.179 11.712 -7.188 1.00 0.00 C ATOM 42 OG SER A 5 21.855 11.112 -8.279 1.00 0.00 O ATOM 0 H SER A 5 21.320 13.580 -8.850 1.00 0.00 H new ATOM 0 HA SER A 5 19.351 11.876 -8.307 1.00 0.00 H new ATOM 0 HB2 SER A 5 21.862 12.371 -6.651 1.00 0.00 H new ATOM 0 HB3 SER A 5 20.861 10.942 -6.486 1.00 0.00 H new ATOM 0 HG SER A 5 22.629 10.610 -7.948 1.00 0.00 H new ATOM 48 N SER A 6 17.976 12.289 -6.291 1.00 0.00 N ATOM 49 CA SER A 6 17.078 12.607 -5.186 1.00 0.00 C ATOM 50 C SER A 6 17.073 11.486 -4.151 1.00 0.00 C ATOM 51 O SER A 6 17.404 10.341 -4.457 1.00 0.00 O ATOM 52 CB SER A 6 15.659 12.842 -5.707 1.00 0.00 C ATOM 53 OG SER A 6 14.833 13.403 -4.700 1.00 0.00 O ATOM 0 H SER A 6 17.647 11.539 -6.900 1.00 0.00 H new ATOM 0 HA SER A 6 17.438 13.518 -4.708 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.690 13.508 -6.569 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.232 11.899 -6.048 1.00 0.00 H new ATOM 0 HG SER A 6 13.932 13.545 -5.058 1.00 0.00 H new ATOM 59 N GLY A 7 16.694 11.825 -2.923 1.00 0.00 N ATOM 60 CA GLY A 7 16.652 10.838 -1.860 1.00 0.00 C ATOM 61 C GLY A 7 15.236 10.491 -1.445 1.00 0.00 C ATOM 62 O GLY A 7 14.354 11.351 -1.442 1.00 0.00 O ATOM 0 H GLY A 7 16.415 12.766 -2.645 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.163 9.933 -2.189 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.198 11.216 -0.996 1.00 0.00 H new ATOM 66 N VAL A 8 15.015 9.228 -1.095 1.00 0.00 N ATOM 67 CA VAL A 8 13.696 8.770 -0.678 1.00 0.00 C ATOM 68 C VAL A 8 13.797 7.800 0.495 1.00 0.00 C ATOM 69 O VAL A 8 14.856 7.229 0.750 1.00 0.00 O ATOM 70 CB VAL A 8 12.948 8.082 -1.835 1.00 0.00 C ATOM 71 CG1 VAL A 8 12.728 9.057 -2.982 1.00 0.00 C ATOM 72 CG2 VAL A 8 13.712 6.854 -2.308 1.00 0.00 C ATOM 0 H VAL A 8 15.733 8.504 -1.092 1.00 0.00 H new ATOM 0 HA VAL A 8 13.137 9.654 -0.369 1.00 0.00 H new ATOM 0 HB VAL A 8 11.973 7.757 -1.472 1.00 0.00 H new ATOM 0 HG11 VAL A 8 12.198 8.554 -3.791 1.00 0.00 H new ATOM 0 HG12 VAL A 8 12.137 9.903 -2.632 1.00 0.00 H new ATOM 0 HG13 VAL A 8 13.691 9.414 -3.346 1.00 0.00 H new ATOM 0 HG21 VAL A 8 13.169 6.380 -3.126 1.00 0.00 H new ATOM 0 HG22 VAL A 8 14.702 7.152 -2.654 1.00 0.00 H new ATOM 0 HG23 VAL A 8 13.813 6.149 -1.483 1.00 0.00 H new ATOM 82 N GLU A 9 12.687 7.620 1.203 1.00 0.00 N ATOM 83 CA GLU A 9 12.651 6.719 2.349 1.00 0.00 C ATOM 84 C GLU A 9 11.717 5.540 2.086 1.00 0.00 C ATOM 85 O GLU A 9 10.515 5.718 1.894 1.00 0.00 O ATOM 86 CB GLU A 9 12.200 7.471 3.603 1.00 0.00 C ATOM 87 CG GLU A 9 10.834 8.123 3.464 1.00 0.00 C ATOM 88 CD GLU A 9 10.681 9.349 4.342 1.00 0.00 C ATOM 89 OE1 GLU A 9 10.336 9.187 5.532 1.00 0.00 O ATOM 90 OE2 GLU A 9 10.906 10.470 3.841 1.00 0.00 O ATOM 0 H GLU A 9 11.802 8.085 1.004 1.00 0.00 H new ATOM 0 HA GLU A 9 13.658 6.334 2.507 1.00 0.00 H new ATOM 0 HB2 GLU A 9 12.178 6.778 4.444 1.00 0.00 H new ATOM 0 HB3 GLU A 9 12.937 8.238 3.841 1.00 0.00 H new ATOM 0 HG2 GLU A 9 10.674 8.404 2.423 1.00 0.00 H new ATOM 0 HG3 GLU A 9 10.062 7.398 3.721 1.00 0.00 H new ATOM 97 N VAL A 10 12.281 4.337 2.079 1.00 0.00 N ATOM 98 CA VAL A 10 11.501 3.128 1.840 1.00 0.00 C ATOM 99 C VAL A 10 11.353 2.309 3.117 1.00 0.00 C ATOM 100 O VAL A 10 12.203 1.478 3.434 1.00 0.00 O ATOM 101 CB VAL A 10 12.145 2.250 0.751 1.00 0.00 C ATOM 102 CG1 VAL A 10 11.379 0.946 0.594 1.00 0.00 C ATOM 103 CG2 VAL A 10 12.210 3.002 -0.570 1.00 0.00 C ATOM 0 H VAL A 10 13.275 4.173 2.236 1.00 0.00 H new ATOM 0 HA VAL A 10 10.516 3.449 1.501 1.00 0.00 H new ATOM 0 HB VAL A 10 13.163 2.011 1.057 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.849 0.339 -0.180 1.00 0.00 H new ATOM 0 HG12 VAL A 10 11.390 0.402 1.538 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.349 1.161 0.311 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.668 2.367 -1.328 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.202 3.273 -0.884 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.807 3.906 -0.445 1.00 0.00 H new ATOM 113 N GLU A 11 10.267 2.549 3.845 1.00 0.00 N ATOM 114 CA GLU A 11 10.008 1.832 5.088 1.00 0.00 C ATOM 115 C GLU A 11 9.889 0.331 4.836 1.00 0.00 C ATOM 116 O GLU A 11 8.995 -0.120 4.120 1.00 0.00 O ATOM 117 CB GLU A 11 8.728 2.353 5.746 1.00 0.00 C ATOM 118 CG GLU A 11 8.714 2.198 7.257 1.00 0.00 C ATOM 119 CD GLU A 11 7.605 2.995 7.915 1.00 0.00 C ATOM 120 OE1 GLU A 11 6.566 3.220 7.260 1.00 0.00 O ATOM 121 OE2 GLU A 11 7.777 3.395 9.086 1.00 0.00 O ATOM 0 H GLU A 11 9.553 3.234 3.596 1.00 0.00 H new ATOM 0 HA GLU A 11 10.849 2.005 5.759 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.604 3.407 5.496 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.873 1.823 5.327 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.598 1.144 7.509 1.00 0.00 H new ATOM 0 HG3 GLU A 11 9.675 2.518 7.660 1.00 0.00 H new ATOM 128 N SER A 12 10.797 -0.436 5.431 1.00 0.00 N ATOM 129 CA SER A 12 10.798 -1.885 5.268 1.00 0.00 C ATOM 130 C SER A 12 9.853 -2.544 6.269 1.00 0.00 C ATOM 131 O SER A 12 9.688 -2.067 7.391 1.00 0.00 O ATOM 132 CB SER A 12 12.213 -2.439 5.444 1.00 0.00 C ATOM 133 OG SER A 12 12.183 -3.771 5.925 1.00 0.00 O ATOM 0 H SER A 12 11.541 -0.078 6.030 1.00 0.00 H new ATOM 0 HA SER A 12 10.450 -2.113 4.261 1.00 0.00 H new ATOM 0 HB2 SER A 12 12.741 -2.405 4.491 1.00 0.00 H new ATOM 0 HB3 SER A 12 12.769 -1.810 6.139 1.00 0.00 H new ATOM 0 HG SER A 12 13.100 -4.103 6.027 1.00 0.00 H new ATOM 139 N PHE A 13 9.236 -3.645 5.853 1.00 0.00 N ATOM 140 CA PHE A 13 8.307 -4.371 6.712 1.00 0.00 C ATOM 141 C PHE A 13 8.428 -5.877 6.494 1.00 0.00 C ATOM 142 O PHE A 13 8.881 -6.329 5.441 1.00 0.00 O ATOM 143 CB PHE A 13 6.870 -3.920 6.441 1.00 0.00 C ATOM 144 CG PHE A 13 6.506 -2.635 7.130 1.00 0.00 C ATOM 145 CD1 PHE A 13 6.787 -1.414 6.539 1.00 0.00 C ATOM 146 CD2 PHE A 13 5.882 -2.650 8.367 1.00 0.00 C ATOM 147 CE1 PHE A 13 6.454 -0.231 7.171 1.00 0.00 C ATOM 148 CE2 PHE A 13 5.546 -1.470 9.003 1.00 0.00 C ATOM 149 CZ PHE A 13 5.831 -0.258 8.404 1.00 0.00 C ATOM 0 H PHE A 13 9.362 -4.054 4.927 1.00 0.00 H new ATOM 0 HA PHE A 13 8.561 -4.150 7.749 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.732 -3.799 5.367 1.00 0.00 H new ATOM 0 HB3 PHE A 13 6.184 -4.703 6.764 1.00 0.00 H new ATOM 0 HD1 PHE A 13 7.271 -1.386 5.574 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.656 -3.594 8.839 1.00 0.00 H new ATOM 0 HE1 PHE A 13 6.681 0.715 6.701 1.00 0.00 H new ATOM 0 HE2 PHE A 13 5.061 -1.495 9.968 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.568 0.666 8.898 1.00 0.00 H new ATOM 159 N LEU A 14 8.022 -6.648 7.497 1.00 0.00 N ATOM 160 CA LEU A 14 8.086 -8.103 7.417 1.00 0.00 C ATOM 161 C LEU A 14 6.934 -8.741 8.187 1.00 0.00 C ATOM 162 O LEU A 14 6.707 -8.430 9.356 1.00 0.00 O ATOM 163 CB LEU A 14 9.422 -8.606 7.966 1.00 0.00 C ATOM 164 CG LEU A 14 9.780 -10.056 7.636 1.00 0.00 C ATOM 165 CD1 LEU A 14 8.684 -10.997 8.112 1.00 0.00 C ATOM 166 CD2 LEU A 14 10.015 -10.220 6.142 1.00 0.00 C ATOM 0 H LEU A 14 7.645 -6.290 8.375 1.00 0.00 H new ATOM 0 HA LEU A 14 8.001 -8.389 6.369 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.214 -7.961 7.585 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.412 -8.493 9.050 1.00 0.00 H new ATOM 0 HG LEU A 14 10.702 -10.311 8.158 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.955 -12.024 7.869 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.564 -10.899 9.191 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.746 -10.743 7.618 1.00 0.00 H new ATOM 0 HD21 LEU A 14 10.269 -11.258 5.925 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.110 -9.947 5.599 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.835 -9.573 5.829 1.00 0.00 H new ATOM 178 N VAL A 15 6.210 -9.637 7.524 1.00 0.00 N ATOM 179 CA VAL A 15 5.083 -10.322 8.146 1.00 0.00 C ATOM 180 C VAL A 15 4.917 -11.729 7.584 1.00 0.00 C ATOM 181 O VAL A 15 5.732 -12.190 6.784 1.00 0.00 O ATOM 182 CB VAL A 15 3.771 -9.542 7.944 1.00 0.00 C ATOM 183 CG1 VAL A 15 3.845 -8.185 8.627 1.00 0.00 C ATOM 184 CG2 VAL A 15 3.467 -9.386 6.462 1.00 0.00 C ATOM 0 H VAL A 15 6.384 -9.906 6.556 1.00 0.00 H new ATOM 0 HA VAL A 15 5.300 -10.383 9.213 1.00 0.00 H new ATOM 0 HB VAL A 15 2.959 -10.108 8.401 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.909 -7.649 8.473 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.012 -8.324 9.695 1.00 0.00 H new ATOM 0 HG13 VAL A 15 4.667 -7.609 8.203 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.536 -8.832 6.338 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.279 -8.843 5.979 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.367 -10.371 6.005 1.00 0.00 H new ATOM 194 N HIS A 16 3.855 -12.408 8.008 1.00 0.00 N ATOM 195 CA HIS A 16 3.581 -13.764 7.546 1.00 0.00 C ATOM 196 C HIS A 16 2.134 -13.897 7.080 1.00 0.00 C ATOM 197 O HIS A 16 1.306 -13.010 7.287 1.00 0.00 O ATOM 198 CB HIS A 16 3.865 -14.773 8.660 1.00 0.00 C ATOM 199 CG HIS A 16 2.629 -15.401 9.227 1.00 0.00 C ATOM 200 ND1 HIS A 16 1.454 -14.852 9.615 1.00 0.00 N flip ATOM 201 CD2 HIS A 16 2.511 -16.756 9.456 1.00 0.00 C flip ATOM 202 CE1 HIS A 16 0.656 -15.874 10.064 1.00 0.00 C flip ATOM 203 NE2 HIS A 16 1.317 -17.013 9.958 1.00 0.00 N flip ATOM 0 H HIS A 16 3.171 -12.041 8.670 1.00 0.00 H new ATOM 0 HA HIS A 16 4.237 -13.973 6.701 1.00 0.00 H new ATOM 0 HB2 HIS A 16 4.516 -15.557 8.272 1.00 0.00 H new ATOM 0 HB3 HIS A 16 4.410 -14.274 9.461 1.00 0.00 H new ATOM 0 HD2 HIS A 16 3.276 -17.492 9.256 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -0.350 -15.765 10.443 1.00 0.00 H new ATOM 0 HE2 HIS A 16 0.965 -17.934 10.219 1.00 0.00 H new ATOM 212 N PRO A 17 1.821 -15.030 6.434 1.00 0.00 N ATOM 213 CA PRO A 17 0.474 -15.306 5.925 1.00 0.00 C ATOM 214 C PRO A 17 -0.530 -15.551 7.046 1.00 0.00 C ATOM 215 O PRO A 17 -0.703 -16.680 7.502 1.00 0.00 O ATOM 216 CB PRO A 17 0.663 -16.574 5.090 1.00 0.00 C ATOM 217 CG PRO A 17 1.860 -17.239 5.676 1.00 0.00 C ATOM 218 CD PRO A 17 2.758 -16.131 6.153 1.00 0.00 C ATOM 0 HA PRO A 17 0.071 -14.465 5.361 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -0.214 -17.218 5.145 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.818 -16.336 4.038 1.00 0.00 H new ATOM 0 HG2 PRO A 17 1.578 -17.895 6.500 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.365 -17.858 4.934 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.316 -16.421 7.043 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.490 -15.852 5.395 1.00 0.00 H new ATOM 226 N GLY A 18 -1.191 -14.484 7.487 1.00 0.00 N ATOM 227 CA GLY A 18 -2.170 -14.606 8.551 1.00 0.00 C ATOM 228 C GLY A 18 -2.098 -13.459 9.539 1.00 0.00 C ATOM 229 O GLY A 18 -2.994 -13.284 10.365 1.00 0.00 O ATOM 0 H GLY A 18 -1.066 -13.538 7.126 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.170 -14.646 8.118 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.013 -15.547 9.079 1.00 0.00 H new ATOM 233 N ASP A 19 -1.027 -12.676 9.457 1.00 0.00 N ATOM 234 CA ASP A 19 -0.840 -11.540 10.352 1.00 0.00 C ATOM 235 C ASP A 19 -1.609 -10.321 9.851 1.00 0.00 C ATOM 236 O ASP A 19 -2.331 -10.395 8.856 1.00 0.00 O ATOM 237 CB ASP A 19 0.646 -11.204 10.481 1.00 0.00 C ATOM 238 CG ASP A 19 1.332 -12.016 11.561 1.00 0.00 C ATOM 239 OD1 ASP A 19 0.663 -12.876 12.173 1.00 0.00 O ATOM 240 OD2 ASP A 19 2.538 -11.794 11.795 1.00 0.00 O ATOM 0 H ASP A 19 -0.276 -12.808 8.780 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.228 -11.814 11.333 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.140 -11.384 9.526 1.00 0.00 H new ATOM 0 HB3 ASP A 19 0.757 -10.143 10.703 1.00 0.00 H new ATOM 245 N LEU A 20 -1.449 -9.201 10.546 1.00 0.00 N ATOM 246 CA LEU A 20 -2.128 -7.965 10.173 1.00 0.00 C ATOM 247 C LEU A 20 -1.141 -6.951 9.603 1.00 0.00 C ATOM 248 O LEU A 20 -0.315 -6.397 10.330 1.00 0.00 O ATOM 249 CB LEU A 20 -2.847 -7.368 11.384 1.00 0.00 C ATOM 250 CG LEU A 20 -3.712 -6.137 11.112 1.00 0.00 C ATOM 251 CD1 LEU A 20 -4.868 -6.490 10.190 1.00 0.00 C ATOM 252 CD2 LEU A 20 -4.229 -5.550 12.417 1.00 0.00 C ATOM 0 H LEU A 20 -0.855 -9.123 11.371 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.862 -8.202 9.403 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.478 -8.140 11.824 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.099 -7.104 12.131 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.096 -5.386 10.617 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.473 -5.601 10.008 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.477 -6.864 9.243 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.484 -7.259 10.657 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.843 -4.675 12.204 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.829 -6.296 12.939 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.386 -5.259 13.044 1.00 0.00 H new ATOM 264 N LEU A 21 -1.232 -6.712 8.299 1.00 0.00 N ATOM 265 CA LEU A 21 -0.349 -5.763 7.632 1.00 0.00 C ATOM 266 C LEU A 21 -0.857 -4.335 7.800 1.00 0.00 C ATOM 267 O LEU A 21 -1.850 -3.944 7.187 1.00 0.00 O ATOM 268 CB LEU A 21 -0.232 -6.103 6.145 1.00 0.00 C ATOM 269 CG LEU A 21 0.693 -5.207 5.322 1.00 0.00 C ATOM 270 CD1 LEU A 21 2.112 -5.261 5.866 1.00 0.00 C ATOM 271 CD2 LEU A 21 0.666 -5.615 3.856 1.00 0.00 C ATOM 0 H LEU A 21 -1.909 -7.163 7.683 1.00 0.00 H new ATOM 0 HA LEU A 21 0.636 -5.835 8.094 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.117 -7.132 6.055 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.228 -6.064 5.705 1.00 0.00 H new ATOM 0 HG LEU A 21 0.335 -4.180 5.399 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.756 -4.617 5.267 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.118 -4.919 6.901 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.480 -6.286 5.820 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.330 -4.966 3.285 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.998 -6.649 3.760 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.350 -5.523 3.471 1.00 0.00 H new ATOM 283 N GLN A 22 -0.168 -3.561 8.632 1.00 0.00 N ATOM 284 CA GLN A 22 -0.549 -2.176 8.879 1.00 0.00 C ATOM 285 C GLN A 22 0.510 -1.216 8.345 1.00 0.00 C ATOM 286 O GLN A 22 1.708 -1.432 8.531 1.00 0.00 O ATOM 287 CB GLN A 22 -0.758 -1.941 10.376 1.00 0.00 C ATOM 288 CG GLN A 22 -2.180 -2.211 10.841 1.00 0.00 C ATOM 289 CD GLN A 22 -2.506 -1.525 12.153 1.00 0.00 C ATOM 290 OE1 GLN A 22 -1.730 -0.706 12.648 1.00 0.00 O ATOM 291 NE2 GLN A 22 -3.658 -1.855 12.724 1.00 0.00 N ATOM 0 H GLN A 22 0.657 -3.870 9.146 1.00 0.00 H new ATOM 0 HA GLN A 22 -1.485 -1.985 8.354 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.074 -2.580 10.935 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -0.496 -0.910 10.614 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -2.879 -1.873 10.076 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -2.324 -3.286 10.952 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -4.271 -2.538 12.279 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -3.931 -1.425 13.608 1.00 0.00 H new ATOM 300 N LEU A 23 0.060 -0.157 7.682 1.00 0.00 N ATOM 301 CA LEU A 23 0.969 0.836 7.120 1.00 0.00 C ATOM 302 C LEU A 23 0.533 2.248 7.497 1.00 0.00 C ATOM 303 O LEU A 23 -0.555 2.449 8.038 1.00 0.00 O ATOM 304 CB LEU A 23 1.029 0.699 5.598 1.00 0.00 C ATOM 305 CG LEU A 23 1.565 -0.630 5.064 1.00 0.00 C ATOM 306 CD1 LEU A 23 1.428 -0.693 3.551 1.00 0.00 C ATOM 307 CD2 LEU A 23 3.017 -0.824 5.479 1.00 0.00 C ATOM 0 H LEU A 23 -0.928 0.036 7.520 1.00 0.00 H new ATOM 0 HA LEU A 23 1.962 0.658 7.534 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.025 0.849 5.200 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.651 1.503 5.205 1.00 0.00 H new ATOM 0 HG LEU A 23 0.973 -1.438 5.495 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.815 -1.646 3.190 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.377 -0.601 3.277 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.994 0.122 3.100 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.383 -1.775 5.091 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.622 -0.011 5.077 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.087 -0.825 6.567 1.00 0.00 H new ATOM 319 N ARG A 24 1.388 3.223 7.208 1.00 0.00 N ATOM 320 CA ARG A 24 1.091 4.617 7.516 1.00 0.00 C ATOM 321 C ARG A 24 1.736 5.549 6.494 1.00 0.00 C ATOM 322 O ARG A 24 2.837 5.289 6.008 1.00 0.00 O ATOM 323 CB ARG A 24 1.582 4.967 8.922 1.00 0.00 C ATOM 324 CG ARG A 24 0.933 6.213 9.501 1.00 0.00 C ATOM 325 CD ARG A 24 1.759 6.793 10.639 1.00 0.00 C ATOM 326 NE ARG A 24 1.140 7.986 11.211 1.00 0.00 N ATOM 327 CZ ARG A 24 1.734 8.762 12.112 1.00 0.00 C ATOM 328 NH1 ARG A 24 2.954 8.471 12.540 1.00 0.00 N ATOM 329 NH2 ARG A 24 1.106 9.831 12.585 1.00 0.00 N ATOM 0 H ARG A 24 2.292 3.074 6.761 1.00 0.00 H new ATOM 0 HA ARG A 24 0.010 4.750 7.472 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.388 4.125 9.586 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.662 5.109 8.895 1.00 0.00 H new ATOM 0 HG2 ARG A 24 0.815 6.961 8.717 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.066 5.970 9.862 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.883 6.040 11.417 1.00 0.00 H new ATOM 0 HD3 ARG A 24 2.756 7.041 10.274 1.00 0.00 H new ATOM 0 HE ARG A 24 0.201 8.237 10.902 1.00 0.00 H new ATOM 0 HH11 ARG A 24 3.439 7.650 12.178 1.00 0.00 H new ATOM 0 HH12 ARG A 24 3.408 9.068 13.231 1.00 0.00 H new ATOM 0 HH21 ARG A 24 0.167 10.058 12.257 1.00 0.00 H new ATOM 0 HH22 ARG A 24 1.562 10.426 13.276 1.00 0.00 H new ATOM 343 N CYS A 25 1.042 6.636 6.173 1.00 0.00 N ATOM 344 CA CYS A 25 1.545 7.607 5.209 1.00 0.00 C ATOM 345 C CYS A 25 1.788 8.959 5.874 1.00 0.00 C ATOM 346 O CYS A 25 0.930 9.471 6.594 1.00 0.00 O ATOM 347 CB CYS A 25 0.558 7.766 4.051 1.00 0.00 C ATOM 348 SG CYS A 25 1.050 9.016 2.821 1.00 0.00 S ATOM 0 H CYS A 25 0.130 6.866 6.567 1.00 0.00 H new ATOM 0 HA CYS A 25 2.494 7.237 4.821 1.00 0.00 H new ATOM 0 HB2 CYS A 25 0.444 6.805 3.550 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.419 8.033 4.454 1.00 0.00 H new ATOM 353 N ARG A 26 2.961 9.532 5.628 1.00 0.00 N ATOM 354 CA ARG A 26 3.317 10.823 6.203 1.00 0.00 C ATOM 355 C ARG A 26 2.511 11.946 5.559 1.00 0.00 C ATOM 356 O ARG A 26 2.721 12.288 4.394 1.00 0.00 O ATOM 357 CB ARG A 26 4.814 11.089 6.026 1.00 0.00 C ATOM 358 CG ARG A 26 5.668 10.536 7.155 1.00 0.00 C ATOM 359 CD ARG A 26 7.151 10.687 6.856 1.00 0.00 C ATOM 360 NE ARG A 26 7.451 10.462 5.445 1.00 0.00 N ATOM 361 CZ ARG A 26 7.372 11.409 4.517 1.00 0.00 C ATOM 362 NH1 ARG A 26 7.004 12.639 4.849 1.00 0.00 N ATOM 363 NH2 ARG A 26 7.660 11.126 3.253 1.00 0.00 N ATOM 0 H ARG A 26 3.682 9.122 5.034 1.00 0.00 H new ATOM 0 HA ARG A 26 3.083 10.795 7.267 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.144 10.650 5.084 1.00 0.00 H new ATOM 0 HB3 ARG A 26 4.977 12.164 5.951 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.428 11.056 8.083 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.432 9.483 7.309 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.478 11.687 7.141 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.717 9.981 7.464 1.00 0.00 H new ATOM 0 HE ARG A 26 7.737 9.526 5.156 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.781 12.860 5.819 1.00 0.00 H new ATOM 0 HH12 ARG A 26 6.944 13.364 4.134 1.00 0.00 H new ATOM 0 HH21 ARG A 26 7.942 10.181 2.994 1.00 0.00 H new ATOM 0 HH22 ARG A 26 7.599 11.854 2.541 1.00 0.00 H new ATOM 377 N LEU A 27 1.586 12.517 6.323 1.00 0.00 N ATOM 378 CA LEU A 27 0.747 13.602 5.827 1.00 0.00 C ATOM 379 C LEU A 27 1.307 14.959 6.244 1.00 0.00 C ATOM 380 O LEU A 27 2.201 15.039 7.087 1.00 0.00 O ATOM 381 CB LEU A 27 -0.683 13.446 6.347 1.00 0.00 C ATOM 382 CG LEU A 27 -1.431 12.193 5.891 1.00 0.00 C ATOM 383 CD1 LEU A 27 -2.894 12.266 6.297 1.00 0.00 C ATOM 384 CD2 LEU A 27 -1.302 12.014 4.385 1.00 0.00 C ATOM 0 H LEU A 27 1.398 12.246 7.288 1.00 0.00 H new ATOM 0 HA LEU A 27 0.739 13.553 4.738 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.654 13.451 7.437 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.257 14.320 6.039 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.983 11.328 6.380 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.409 11.365 5.964 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.967 12.345 7.382 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.356 13.140 5.837 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.840 11.117 4.078 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.724 12.882 3.878 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.250 11.914 4.119 1.00 0.00 H new ATOM 396 N ARG A 28 0.773 16.021 5.650 1.00 0.00 N ATOM 397 CA ARG A 28 1.219 17.374 5.961 1.00 0.00 C ATOM 398 C ARG A 28 0.038 18.262 6.339 1.00 0.00 C ATOM 399 O ARG A 28 -1.119 17.898 6.127 1.00 0.00 O ATOM 400 CB ARG A 28 1.962 17.976 4.766 1.00 0.00 C ATOM 401 CG ARG A 28 2.779 16.962 3.983 1.00 0.00 C ATOM 402 CD ARG A 28 3.404 17.587 2.745 1.00 0.00 C ATOM 403 NE ARG A 28 4.348 18.648 3.086 1.00 0.00 N ATOM 404 CZ ARG A 28 5.557 18.422 3.588 1.00 0.00 C ATOM 405 NH1 ARG A 28 5.967 17.181 3.807 1.00 0.00 N ATOM 406 NH2 ARG A 28 6.359 19.441 3.872 1.00 0.00 N ATOM 0 H ARG A 28 0.032 15.971 4.951 1.00 0.00 H new ATOM 0 HA ARG A 28 1.898 17.320 6.812 1.00 0.00 H new ATOM 0 HB2 ARG A 28 1.239 18.442 4.097 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.623 18.766 5.121 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.563 16.554 4.621 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.141 16.128 3.689 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.917 16.817 2.169 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.618 17.992 2.107 1.00 0.00 H new ATOM 0 HE ARG A 28 4.064 19.615 2.930 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.354 16.395 3.590 1.00 0.00 H new ATOM 0 HH12 ARG A 28 6.896 17.011 4.193 1.00 0.00 H new ATOM 0 HH21 ARG A 28 6.047 20.398 3.705 1.00 0.00 H new ATOM 0 HH22 ARG A 28 7.287 19.267 4.257 1.00 0.00 H new ATOM 420 N ASP A 29 0.337 19.428 6.901 1.00 0.00 N ATOM 421 CA ASP A 29 -0.700 20.369 7.309 1.00 0.00 C ATOM 422 C ASP A 29 -1.389 20.979 6.092 1.00 0.00 C ATOM 423 O ASP A 29 -2.439 21.611 6.213 1.00 0.00 O ATOM 424 CB ASP A 29 -0.101 21.475 8.179 1.00 0.00 C ATOM 425 CG ASP A 29 0.225 22.725 7.384 1.00 0.00 C ATOM 426 OD1 ASP A 29 1.307 22.767 6.763 1.00 0.00 O ATOM 427 OD2 ASP A 29 -0.603 23.660 7.384 1.00 0.00 O ATOM 0 H ASP A 29 1.289 19.744 7.085 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.444 19.823 7.890 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -0.802 21.727 8.975 1.00 0.00 H new ATOM 0 HB3 ASP A 29 0.806 21.106 8.658 1.00 0.00 H new ATOM 432 N ASP A 30 -0.792 20.785 4.922 1.00 0.00 N ATOM 433 CA ASP A 30 -1.349 21.316 3.682 1.00 0.00 C ATOM 434 C ASP A 30 -2.017 20.211 2.870 1.00 0.00 C ATOM 435 O ASP A 30 -2.959 20.462 2.118 1.00 0.00 O ATOM 436 CB ASP A 30 -0.253 21.985 2.852 1.00 0.00 C ATOM 437 CG ASP A 30 0.458 23.088 3.612 1.00 0.00 C ATOM 438 OD1 ASP A 30 -0.153 23.655 4.542 1.00 0.00 O ATOM 439 OD2 ASP A 30 1.624 23.384 3.277 1.00 0.00 O ATOM 0 H ASP A 30 0.077 20.264 4.805 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.104 22.059 3.940 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.474 21.234 2.543 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.691 22.398 1.943 1.00 0.00 H new ATOM 444 N VAL A 31 -1.522 18.987 3.026 1.00 0.00 N ATOM 445 CA VAL A 31 -2.071 17.844 2.307 1.00 0.00 C ATOM 446 C VAL A 31 -3.578 17.984 2.119 1.00 0.00 C ATOM 447 O VAL A 31 -4.281 18.466 3.006 1.00 0.00 O ATOM 448 CB VAL A 31 -1.778 16.524 3.044 1.00 0.00 C ATOM 449 CG1 VAL A 31 -2.798 15.461 2.664 1.00 0.00 C ATOM 450 CG2 VAL A 31 -0.364 16.049 2.743 1.00 0.00 C ATOM 0 H VAL A 31 -0.742 18.762 3.644 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.586 17.822 1.331 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.857 16.702 4.116 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.574 14.536 3.195 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.797 15.802 2.935 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.754 15.282 1.590 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.174 15.115 3.272 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.255 15.888 1.671 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.351 16.804 3.071 1.00 0.00 H new ATOM 460 N GLN A 32 -4.066 17.559 0.958 1.00 0.00 N ATOM 461 CA GLN A 32 -5.490 17.637 0.654 1.00 0.00 C ATOM 462 C GLN A 32 -6.081 16.246 0.452 1.00 0.00 C ATOM 463 O GLN A 32 -7.230 15.991 0.814 1.00 0.00 O ATOM 464 CB GLN A 32 -5.720 18.488 -0.596 1.00 0.00 C ATOM 465 CG GLN A 32 -5.266 19.931 -0.442 1.00 0.00 C ATOM 466 CD GLN A 32 -6.064 20.889 -1.304 1.00 0.00 C ATOM 467 OE1 GLN A 32 -6.928 20.474 -2.077 1.00 0.00 O ATOM 468 NE2 GLN A 32 -5.779 22.180 -1.175 1.00 0.00 N ATOM 0 H GLN A 32 -3.497 17.157 0.213 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.991 18.105 1.501 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.190 18.037 -1.435 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.781 18.474 -0.844 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -5.357 20.227 0.603 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -4.211 20.006 -0.704 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -5.055 22.480 -0.522 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -6.284 22.872 -1.729 1.00 0.00 H new ATOM 477 N SER A 33 -5.289 15.350 -0.127 1.00 0.00 N ATOM 478 CA SER A 33 -5.735 13.985 -0.381 1.00 0.00 C ATOM 479 C SER A 33 -4.561 13.012 -0.334 1.00 0.00 C ATOM 480 O SER A 33 -3.415 13.415 -0.135 1.00 0.00 O ATOM 481 CB SER A 33 -6.431 13.898 -1.741 1.00 0.00 C ATOM 482 OG SER A 33 -7.423 12.886 -1.742 1.00 0.00 O ATOM 0 H SER A 33 -4.334 15.545 -0.429 1.00 0.00 H new ATOM 0 HA SER A 33 -6.444 13.709 0.400 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.887 14.858 -1.982 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.695 13.691 -2.517 1.00 0.00 H new ATOM 0 HG SER A 33 -7.854 12.852 -2.621 1.00 0.00 H new ATOM 488 N ILE A 34 -4.857 11.730 -0.519 1.00 0.00 N ATOM 489 CA ILE A 34 -3.826 10.699 -0.499 1.00 0.00 C ATOM 490 C ILE A 34 -4.067 9.660 -1.589 1.00 0.00 C ATOM 491 O ILE A 34 -5.208 9.297 -1.874 1.00 0.00 O ATOM 492 CB ILE A 34 -3.766 9.989 0.866 1.00 0.00 C ATOM 493 CG1 ILE A 34 -3.864 11.011 2.001 1.00 0.00 C ATOM 494 CG2 ILE A 34 -2.484 9.178 0.986 1.00 0.00 C ATOM 495 CD1 ILE A 34 -4.153 10.390 3.350 1.00 0.00 C ATOM 0 H ILE A 34 -5.801 11.380 -0.684 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.875 11.200 -0.681 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.613 9.307 0.942 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.929 11.568 2.059 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.649 11.730 1.765 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.457 8.682 1.956 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.452 8.429 0.195 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.624 9.841 0.893 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.209 11.173 4.106 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.103 9.857 3.309 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.356 9.693 3.608 1.00 0.00 H new ATOM 507 N ASN A 35 -2.984 9.184 -2.195 1.00 0.00 N ATOM 508 CA ASN A 35 -3.078 8.184 -3.254 1.00 0.00 C ATOM 509 C ASN A 35 -2.217 6.967 -2.930 1.00 0.00 C ATOM 510 O ASN A 35 -0.991 7.019 -3.023 1.00 0.00 O ATOM 511 CB ASN A 35 -2.645 8.787 -4.592 1.00 0.00 C ATOM 512 CG ASN A 35 -3.347 8.140 -5.771 1.00 0.00 C ATOM 513 OD1 ASN A 35 -2.757 7.073 -6.296 1.00 0.00 O flip ATOM 514 ND2 ASN A 35 -4.406 8.595 -6.203 1.00 0.00 N flip ATOM 0 H ASN A 35 -2.032 9.474 -1.972 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.117 7.863 -3.326 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.854 9.857 -4.590 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.567 8.673 -4.707 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.823 9.418 -5.767 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.867 8.149 -6.997 1.00 0.00 H new ATOM 521 N TRP A 36 -2.869 5.874 -2.551 1.00 0.00 N ATOM 522 CA TRP A 36 -2.163 4.642 -2.214 1.00 0.00 C ATOM 523 C TRP A 36 -1.793 3.865 -3.472 1.00 0.00 C ATOM 524 O TRP A 36 -2.628 3.658 -4.354 1.00 0.00 O ATOM 525 CB TRP A 36 -3.024 3.772 -1.296 1.00 0.00 C ATOM 526 CG TRP A 36 -2.925 4.154 0.150 1.00 0.00 C ATOM 527 CD1 TRP A 36 -3.867 4.809 0.891 1.00 0.00 C ATOM 528 CD2 TRP A 36 -1.821 3.907 1.028 1.00 0.00 C ATOM 529 NE1 TRP A 36 -3.416 4.983 2.177 1.00 0.00 N ATOM 530 CE2 TRP A 36 -2.164 4.438 2.287 1.00 0.00 C ATOM 531 CE3 TRP A 36 -0.579 3.286 0.874 1.00 0.00 C ATOM 532 CZ2 TRP A 36 -1.307 4.367 3.382 1.00 0.00 C ATOM 533 CZ3 TRP A 36 0.270 3.217 1.962 1.00 0.00 C ATOM 534 CH2 TRP A 36 -0.097 3.754 3.203 1.00 0.00 C ATOM 0 H TRP A 36 -3.884 5.815 -2.469 1.00 0.00 H new ATOM 0 HA TRP A 36 -1.244 4.910 -1.692 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -4.065 3.842 -1.612 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.726 2.730 -1.410 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -4.825 5.141 0.520 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -3.930 5.443 2.928 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.288 2.868 -0.078 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.588 4.781 4.339 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 1.233 2.741 1.854 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.589 3.683 4.034 1.00 0.00 H new ATOM 545 N LEU A 37 -0.538 3.436 -3.550 1.00 0.00 N ATOM 546 CA LEU A 37 -0.058 2.681 -4.702 1.00 0.00 C ATOM 547 C LEU A 37 0.653 1.406 -4.258 1.00 0.00 C ATOM 548 O LEU A 37 1.020 1.262 -3.092 1.00 0.00 O ATOM 549 CB LEU A 37 0.888 3.540 -5.542 1.00 0.00 C ATOM 550 CG LEU A 37 0.254 4.736 -6.254 1.00 0.00 C ATOM 551 CD1 LEU A 37 1.260 5.869 -6.392 1.00 0.00 C ATOM 552 CD2 LEU A 37 -0.279 4.323 -7.618 1.00 0.00 C ATOM 0 H LEU A 37 0.165 3.598 -2.829 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.920 2.403 -5.308 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.684 3.908 -4.895 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.356 2.902 -6.292 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.582 5.092 -5.653 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.792 6.711 -6.901 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.593 6.182 -5.403 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.117 5.526 -6.972 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.727 5.186 -8.110 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.540 3.941 -8.228 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.032 3.545 -7.494 1.00 0.00 H new ATOM 564 N ARG A 38 0.846 0.485 -5.197 1.00 0.00 N ATOM 565 CA ARG A 38 1.514 -0.777 -4.904 1.00 0.00 C ATOM 566 C ARG A 38 2.198 -1.333 -6.150 1.00 0.00 C ATOM 567 O ARG A 38 1.539 -1.665 -7.135 1.00 0.00 O ATOM 568 CB ARG A 38 0.510 -1.796 -4.362 1.00 0.00 C ATOM 569 CG ARG A 38 1.146 -3.107 -3.929 1.00 0.00 C ATOM 570 CD ARG A 38 0.177 -3.958 -3.124 1.00 0.00 C ATOM 571 NE ARG A 38 -0.697 -4.753 -3.983 1.00 0.00 N ATOM 572 CZ ARG A 38 -1.706 -5.486 -3.527 1.00 0.00 C ATOM 573 NH1 ARG A 38 -1.968 -5.525 -2.228 1.00 0.00 N ATOM 574 NH2 ARG A 38 -2.457 -6.182 -4.372 1.00 0.00 N ATOM 0 H ARG A 38 0.549 0.590 -6.167 1.00 0.00 H new ATOM 0 HA ARG A 38 2.275 -0.589 -4.147 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.016 -1.359 -3.513 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.237 -2.000 -5.129 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.474 -3.661 -4.808 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.034 -2.902 -3.332 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.738 -4.621 -2.465 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.429 -3.313 -2.487 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.523 -4.745 -4.988 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.394 -4.991 -1.576 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.744 -6.089 -1.881 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.259 -6.154 -5.372 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.232 -6.745 -4.021 1.00 0.00 H new ATOM 588 N ASP A 39 3.521 -1.430 -6.098 1.00 0.00 N ATOM 589 CA ASP A 39 4.295 -1.946 -7.222 1.00 0.00 C ATOM 590 C ASP A 39 4.094 -1.080 -8.462 1.00 0.00 C ATOM 591 O ASP A 39 4.242 -1.550 -9.589 1.00 0.00 O ATOM 592 CB ASP A 39 3.895 -3.391 -7.523 1.00 0.00 C ATOM 593 CG ASP A 39 4.685 -4.393 -6.704 1.00 0.00 C ATOM 594 OD1 ASP A 39 5.926 -4.419 -6.836 1.00 0.00 O ATOM 595 OD2 ASP A 39 4.062 -5.152 -5.932 1.00 0.00 O ATOM 0 H ASP A 39 4.081 -1.158 -5.290 1.00 0.00 H new ATOM 0 HA ASP A 39 5.350 -1.919 -6.949 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.831 -3.520 -7.322 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.046 -3.593 -8.583 1.00 0.00 H new ATOM 600 N GLY A 40 3.755 0.187 -8.245 1.00 0.00 N ATOM 601 CA GLY A 40 3.539 1.097 -9.354 1.00 0.00 C ATOM 602 C GLY A 40 2.134 1.004 -9.915 1.00 0.00 C ATOM 603 O GLY A 40 1.947 0.891 -11.126 1.00 0.00 O ATOM 0 H GLY A 40 3.626 0.599 -7.321 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.728 2.118 -9.024 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.258 0.879 -10.144 1.00 0.00 H new ATOM 607 N VAL A 41 1.142 1.051 -9.031 1.00 0.00 N ATOM 608 CA VAL A 41 -0.254 0.971 -9.444 1.00 0.00 C ATOM 609 C VAL A 41 -1.189 1.337 -8.296 1.00 0.00 C ATOM 610 O VAL A 41 -0.841 1.180 -7.126 1.00 0.00 O ATOM 611 CB VAL A 41 -0.610 -0.440 -9.950 1.00 0.00 C ATOM 612 CG1 VAL A 41 -0.784 -1.399 -8.782 1.00 0.00 C ATOM 613 CG2 VAL A 41 -1.866 -0.397 -10.808 1.00 0.00 C ATOM 0 H VAL A 41 1.279 1.144 -8.025 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.384 1.685 -10.257 1.00 0.00 H new ATOM 0 HB VAL A 41 0.212 -0.804 -10.567 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.035 -2.390 -9.159 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.144 -1.452 -8.213 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.586 -1.043 -8.135 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.103 -1.402 -11.157 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.697 -0.013 -10.217 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.699 0.255 -11.666 1.00 0.00 H new ATOM 623 N GLN A 42 -2.376 1.825 -8.640 1.00 0.00 N ATOM 624 CA GLN A 42 -3.361 2.214 -7.638 1.00 0.00 C ATOM 625 C GLN A 42 -3.721 1.033 -6.742 1.00 0.00 C ATOM 626 O GLN A 42 -4.059 -0.047 -7.227 1.00 0.00 O ATOM 627 CB GLN A 42 -4.621 2.758 -8.314 1.00 0.00 C ATOM 628 CG GLN A 42 -5.701 3.185 -7.334 1.00 0.00 C ATOM 629 CD GLN A 42 -5.582 4.641 -6.930 1.00 0.00 C ATOM 630 OE1 GLN A 42 -4.552 4.958 -6.153 1.00 0.00 O flip ATOM 631 NE2 GLN A 42 -6.405 5.473 -7.312 1.00 0.00 N flip ATOM 0 H GLN A 42 -2.679 1.960 -9.604 1.00 0.00 H new ATOM 0 HA GLN A 42 -2.922 2.997 -7.019 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -4.350 3.610 -8.937 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.026 1.994 -8.978 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.680 3.015 -7.782 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -5.645 2.559 -6.443 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.181 5.186 -7.908 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.311 6.449 -7.032 1.00 0.00 H new ATOM 640 N LEU A 43 -3.646 1.246 -5.433 1.00 0.00 N ATOM 641 CA LEU A 43 -3.964 0.199 -4.468 1.00 0.00 C ATOM 642 C LEU A 43 -5.473 0.064 -4.289 1.00 0.00 C ATOM 643 O LEU A 43 -6.221 1.018 -4.499 1.00 0.00 O ATOM 644 CB LEU A 43 -3.305 0.502 -3.121 1.00 0.00 C ATOM 645 CG LEU A 43 -3.414 -0.592 -2.059 1.00 0.00 C ATOM 646 CD1 LEU A 43 -2.866 -1.908 -2.590 1.00 0.00 C ATOM 647 CD2 LEU A 43 -2.680 -0.180 -0.791 1.00 0.00 C ATOM 0 H LEU A 43 -3.368 2.134 -5.015 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.576 -0.744 -4.852 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.249 0.708 -3.294 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.746 1.415 -2.720 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.467 -0.732 -1.816 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.952 -2.675 -1.820 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.435 -2.211 -3.469 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.818 -1.782 -2.862 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.768 -0.971 -0.046 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.627 -0.012 -1.018 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.118 0.738 -0.399 1.00 0.00 H new ATOM 659 N ALA A 44 -5.912 -1.128 -3.897 1.00 0.00 N ATOM 660 CA ALA A 44 -7.331 -1.387 -3.685 1.00 0.00 C ATOM 661 C ALA A 44 -7.569 -2.079 -2.347 1.00 0.00 C ATOM 662 O ALA A 44 -6.708 -2.806 -1.853 1.00 0.00 O ATOM 663 CB ALA A 44 -7.889 -2.229 -4.823 1.00 0.00 C ATOM 0 H ALA A 44 -5.306 -1.929 -3.720 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.851 -0.429 -3.667 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.949 -2.415 -4.652 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.761 -1.697 -5.766 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.357 -3.179 -4.868 1.00 0.00 H new ATOM 669 N GLU A 45 -8.742 -1.846 -1.766 1.00 0.00 N ATOM 670 CA GLU A 45 -9.091 -2.447 -0.484 1.00 0.00 C ATOM 671 C GLU A 45 -10.008 -3.650 -0.679 1.00 0.00 C ATOM 672 O GLU A 45 -10.658 -3.788 -1.715 1.00 0.00 O ATOM 673 CB GLU A 45 -9.769 -1.415 0.420 1.00 0.00 C ATOM 674 CG GLU A 45 -9.280 0.006 0.195 1.00 0.00 C ATOM 675 CD GLU A 45 -10.243 1.046 0.732 1.00 0.00 C ATOM 676 OE1 GLU A 45 -11.040 0.709 1.632 1.00 0.00 O ATOM 677 OE2 GLU A 45 -10.200 2.198 0.252 1.00 0.00 O ATOM 0 H GLU A 45 -9.466 -1.246 -2.162 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.171 -2.787 -0.008 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -10.846 -1.450 0.254 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.598 -1.688 1.461 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.310 0.133 0.675 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.132 0.170 -0.872 1.00 0.00 H new ATOM 684 N SER A 46 -10.056 -4.520 0.326 1.00 0.00 N ATOM 685 CA SER A 46 -10.890 -5.714 0.264 1.00 0.00 C ATOM 686 C SER A 46 -11.204 -6.230 1.665 1.00 0.00 C ATOM 687 O SER A 46 -10.754 -5.666 2.661 1.00 0.00 O ATOM 688 CB SER A 46 -10.195 -6.806 -0.550 1.00 0.00 C ATOM 689 OG SER A 46 -11.117 -7.800 -0.963 1.00 0.00 O ATOM 0 H SER A 46 -9.527 -4.420 1.192 1.00 0.00 H new ATOM 0 HA SER A 46 -11.827 -5.448 -0.225 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.717 -6.364 -1.424 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.406 -7.263 0.048 1.00 0.00 H new ATOM 0 HG SER A 46 -10.648 -8.486 -1.483 1.00 0.00 H new ATOM 695 N ASN A 47 -11.980 -7.308 1.732 1.00 0.00 N ATOM 696 CA ASN A 47 -12.355 -7.901 3.010 1.00 0.00 C ATOM 697 C ASN A 47 -11.194 -7.843 3.999 1.00 0.00 C ATOM 698 O ASN A 47 -11.396 -7.655 5.199 1.00 0.00 O ATOM 699 CB ASN A 47 -12.798 -9.352 2.812 1.00 0.00 C ATOM 700 CG ASN A 47 -14.221 -9.457 2.298 1.00 0.00 C ATOM 701 OD1 ASN A 47 -14.758 -8.507 1.727 1.00 0.00 O ATOM 702 ND2 ASN A 47 -14.839 -10.615 2.498 1.00 0.00 N ATOM 0 H ASN A 47 -12.361 -7.788 0.916 1.00 0.00 H new ATOM 0 HA ASN A 47 -13.186 -7.326 3.419 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -12.124 -9.842 2.110 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -12.716 -9.886 3.758 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -15.797 -10.744 2.174 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -14.355 -11.375 2.976 1.00 0.00 H new ATOM 709 N ARG A 48 -9.979 -8.004 3.486 1.00 0.00 N ATOM 710 CA ARG A 48 -8.786 -7.971 4.323 1.00 0.00 C ATOM 711 C ARG A 48 -8.144 -6.587 4.300 1.00 0.00 C ATOM 712 O ARG A 48 -8.005 -5.936 5.336 1.00 0.00 O ATOM 713 CB ARG A 48 -7.777 -9.021 3.854 1.00 0.00 C ATOM 714 CG ARG A 48 -8.237 -10.452 4.080 1.00 0.00 C ATOM 715 CD ARG A 48 -7.278 -11.451 3.453 1.00 0.00 C ATOM 716 NE ARG A 48 -7.174 -11.276 2.007 1.00 0.00 N ATOM 717 CZ ARG A 48 -6.549 -12.132 1.206 1.00 0.00 C ATOM 718 NH1 ARG A 48 -5.977 -13.218 1.708 1.00 0.00 N ATOM 719 NH2 ARG A 48 -6.497 -11.903 -0.100 1.00 0.00 N ATOM 0 H ARG A 48 -9.795 -8.159 2.495 1.00 0.00 H new ATOM 0 HA ARG A 48 -9.085 -8.197 5.346 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -7.581 -8.875 2.792 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -6.833 -8.865 4.377 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -8.317 -10.645 5.150 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -9.232 -10.587 3.657 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -6.292 -11.339 3.904 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -7.615 -12.464 3.672 1.00 0.00 H new ATOM 0 HE ARG A 48 -7.605 -10.451 1.589 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -6.016 -13.398 2.711 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -5.498 -13.874 1.091 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -6.937 -11.069 -0.490 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -6.017 -12.561 -0.714 1.00 0.00 H new ATOM 733 N THR A 49 -7.753 -6.142 3.109 1.00 0.00 N ATOM 734 CA THR A 49 -7.125 -4.836 2.950 1.00 0.00 C ATOM 735 C THR A 49 -8.082 -3.714 3.334 1.00 0.00 C ATOM 736 O THR A 49 -9.275 -3.774 3.036 1.00 0.00 O ATOM 737 CB THR A 49 -6.647 -4.616 1.502 1.00 0.00 C ATOM 738 OG1 THR A 49 -5.928 -5.765 1.043 1.00 0.00 O ATOM 739 CG2 THR A 49 -5.759 -3.384 1.407 1.00 0.00 C ATOM 0 H THR A 49 -7.860 -6.667 2.241 1.00 0.00 H new ATOM 0 HA THR A 49 -6.263 -4.817 3.617 1.00 0.00 H new ATOM 0 HB THR A 49 -7.524 -4.462 0.873 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.629 -5.617 0.121 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.434 -3.249 0.376 1.00 0.00 H new ATOM 0 HG22 THR A 49 -6.319 -2.506 1.729 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.887 -3.513 2.048 1.00 0.00 H new ATOM 747 N ARG A 50 -7.552 -2.691 3.997 1.00 0.00 N ATOM 748 CA ARG A 50 -8.361 -1.555 4.422 1.00 0.00 C ATOM 749 C ARG A 50 -7.566 -0.256 4.327 1.00 0.00 C ATOM 750 O ARG A 50 -6.630 -0.032 5.094 1.00 0.00 O ATOM 751 CB ARG A 50 -8.854 -1.761 5.856 1.00 0.00 C ATOM 752 CG ARG A 50 -9.561 -0.547 6.436 1.00 0.00 C ATOM 753 CD ARG A 50 -11.049 -0.568 6.124 1.00 0.00 C ATOM 754 NE ARG A 50 -11.805 0.323 7.001 1.00 0.00 N ATOM 755 CZ ARG A 50 -13.060 0.690 6.770 1.00 0.00 C ATOM 756 NH1 ARG A 50 -13.698 0.245 5.697 1.00 0.00 N ATOM 757 NH2 ARG A 50 -13.681 1.504 7.615 1.00 0.00 N ATOM 0 H ARG A 50 -6.566 -2.626 4.251 1.00 0.00 H new ATOM 0 HA ARG A 50 -9.221 -1.484 3.756 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -9.534 -2.613 5.879 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -8.005 -2.014 6.491 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -9.415 -0.521 7.516 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -9.116 0.362 6.032 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -11.206 -0.274 5.086 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -11.427 -1.585 6.228 1.00 0.00 H new ATOM 0 HE ARG A 50 -11.343 0.683 7.836 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -13.225 -0.381 5.046 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -14.662 0.529 5.523 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -13.194 1.848 8.443 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -14.645 1.785 7.437 1.00 0.00 H new ATOM 771 N ILE A 51 -7.946 0.596 3.380 1.00 0.00 N ATOM 772 CA ILE A 51 -7.269 1.872 3.185 1.00 0.00 C ATOM 773 C ILE A 51 -8.074 3.018 3.788 1.00 0.00 C ATOM 774 O ILE A 51 -9.071 3.461 3.216 1.00 0.00 O ATOM 775 CB ILE A 51 -7.028 2.159 1.692 1.00 0.00 C ATOM 776 CG1 ILE A 51 -6.108 1.095 1.088 1.00 0.00 C ATOM 777 CG2 ILE A 51 -6.432 3.547 1.509 1.00 0.00 C ATOM 778 CD1 ILE A 51 -6.196 1.005 -0.420 1.00 0.00 C ATOM 0 H ILE A 51 -8.719 0.425 2.736 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.307 1.800 3.692 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.985 2.124 1.171 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.078 1.313 1.371 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.358 0.125 1.517 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.267 3.735 0.448 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.119 4.293 1.908 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.482 3.608 2.040 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.517 0.231 -0.779 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -7.217 0.756 -0.711 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.917 1.963 -0.859 1.00 0.00 H new ATOM 790 N THR A 52 -7.634 3.498 4.947 1.00 0.00 N ATOM 791 CA THR A 52 -8.312 4.594 5.628 1.00 0.00 C ATOM 792 C THR A 52 -7.798 5.945 5.142 1.00 0.00 C ATOM 793 O THR A 52 -8.047 6.975 5.766 1.00 0.00 O ATOM 794 CB THR A 52 -8.128 4.506 7.155 1.00 0.00 C ATOM 795 OG1 THR A 52 -6.763 4.209 7.468 1.00 0.00 O ATOM 796 CG2 THR A 52 -9.034 3.438 7.748 1.00 0.00 C ATOM 0 H THR A 52 -6.810 3.145 5.434 1.00 0.00 H new ATOM 0 HA THR A 52 -9.372 4.506 5.392 1.00 0.00 H new ATOM 0 HB THR A 52 -8.397 5.470 7.587 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.572 3.274 7.245 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.887 3.394 8.827 1.00 0.00 H new ATOM 0 HG22 THR A 52 -10.074 3.683 7.533 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.791 2.470 7.309 1.00 0.00 H new ATOM 804 N GLY A 53 -7.079 5.932 4.024 1.00 0.00 N ATOM 805 CA GLY A 53 -6.542 7.163 3.474 1.00 0.00 C ATOM 806 C GLY A 53 -5.037 7.258 3.626 1.00 0.00 C ATOM 807 O GLY A 53 -4.310 7.330 2.636 1.00 0.00 O ATOM 0 H GLY A 53 -6.859 5.092 3.490 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.802 7.229 2.418 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.009 8.013 3.971 1.00 0.00 H new ATOM 811 N GLU A 54 -4.568 7.260 4.870 1.00 0.00 N ATOM 812 CA GLU A 54 -3.140 7.350 5.148 1.00 0.00 C ATOM 813 C GLU A 54 -2.660 6.130 5.929 1.00 0.00 C ATOM 814 O GLU A 54 -1.467 5.980 6.193 1.00 0.00 O ATOM 815 CB GLU A 54 -2.829 8.626 5.932 1.00 0.00 C ATOM 816 CG GLU A 54 -2.956 8.462 7.437 1.00 0.00 C ATOM 817 CD GLU A 54 -3.043 9.790 8.164 1.00 0.00 C ATOM 818 OE1 GLU A 54 -1.993 10.445 8.329 1.00 0.00 O ATOM 819 OE2 GLU A 54 -4.161 10.174 8.567 1.00 0.00 O ATOM 0 H GLU A 54 -5.157 7.200 5.701 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.612 7.381 4.195 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.816 8.950 5.695 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.502 9.418 5.603 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.844 7.871 7.660 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.099 7.903 7.811 1.00 0.00 H new ATOM 826 N GLU A 55 -3.598 5.263 6.296 1.00 0.00 N ATOM 827 CA GLU A 55 -3.270 4.057 7.048 1.00 0.00 C ATOM 828 C GLU A 55 -3.926 2.830 6.422 1.00 0.00 C ATOM 829 O GLU A 55 -5.152 2.740 6.340 1.00 0.00 O ATOM 830 CB GLU A 55 -3.718 4.201 8.504 1.00 0.00 C ATOM 831 CG GLU A 55 -2.689 4.878 9.393 1.00 0.00 C ATOM 832 CD GLU A 55 -3.152 5.002 10.832 1.00 0.00 C ATOM 833 OE1 GLU A 55 -3.978 5.895 11.114 1.00 0.00 O ATOM 834 OE2 GLU A 55 -2.688 4.207 11.676 1.00 0.00 O ATOM 0 H GLU A 55 -4.590 5.373 6.085 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.189 3.924 7.019 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.645 4.773 8.535 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.940 3.213 8.907 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.759 4.311 9.362 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.471 5.870 8.999 1.00 0.00 H new ATOM 841 N VAL A 56 -3.101 1.886 5.980 1.00 0.00 N ATOM 842 CA VAL A 56 -3.600 0.663 5.361 1.00 0.00 C ATOM 843 C VAL A 56 -3.600 -0.494 6.353 1.00 0.00 C ATOM 844 O VAL A 56 -2.712 -0.600 7.198 1.00 0.00 O ATOM 845 CB VAL A 56 -2.757 0.272 4.132 1.00 0.00 C ATOM 846 CG1 VAL A 56 -3.219 -1.064 3.572 1.00 0.00 C ATOM 847 CG2 VAL A 56 -2.828 1.359 3.070 1.00 0.00 C ATOM 0 H VAL A 56 -2.084 1.944 6.039 1.00 0.00 H new ATOM 0 HA VAL A 56 -4.623 0.864 5.042 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.718 0.168 4.443 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.612 -1.324 2.705 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.111 -1.835 4.335 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -4.265 -0.992 3.275 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.227 1.066 2.209 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.864 1.497 2.759 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.444 2.293 3.480 1.00 0.00 H new ATOM 857 N GLU A 57 -4.602 -1.361 6.243 1.00 0.00 N ATOM 858 CA GLU A 57 -4.717 -2.511 7.132 1.00 0.00 C ATOM 859 C GLU A 57 -5.238 -3.731 6.377 1.00 0.00 C ATOM 860 O GLU A 57 -6.357 -3.726 5.863 1.00 0.00 O ATOM 861 CB GLU A 57 -5.647 -2.187 8.303 1.00 0.00 C ATOM 862 CG GLU A 57 -5.866 -3.357 9.248 1.00 0.00 C ATOM 863 CD GLU A 57 -6.864 -3.043 10.345 1.00 0.00 C ATOM 864 OE1 GLU A 57 -6.917 -1.874 10.782 1.00 0.00 O ATOM 865 OE2 GLU A 57 -7.592 -3.966 10.767 1.00 0.00 O ATOM 0 H GLU A 57 -5.345 -1.289 5.548 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.724 -2.741 7.519 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.232 -1.350 8.865 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.611 -1.862 7.911 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.217 -4.218 8.679 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.914 -3.639 9.698 1.00 0.00 H new ATOM 872 N VAL A 58 -4.418 -4.775 6.315 1.00 0.00 N ATOM 873 CA VAL A 58 -4.794 -6.003 5.624 1.00 0.00 C ATOM 874 C VAL A 58 -4.800 -7.191 6.580 1.00 0.00 C ATOM 875 O VAL A 58 -3.747 -7.638 7.035 1.00 0.00 O ATOM 876 CB VAL A 58 -3.840 -6.304 4.454 1.00 0.00 C ATOM 877 CG1 VAL A 58 -4.432 -7.367 3.541 1.00 0.00 C ATOM 878 CG2 VAL A 58 -3.534 -5.032 3.676 1.00 0.00 C ATOM 0 H VAL A 58 -3.489 -4.795 6.735 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.800 -5.850 5.232 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.905 -6.689 4.861 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.743 -7.566 2.720 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.596 -8.283 4.108 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.382 -7.014 3.140 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.858 -5.263 2.852 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.460 -4.616 3.280 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.064 -4.305 4.338 1.00 0.00 H new ATOM 888 N GLN A 59 -5.992 -7.698 6.878 1.00 0.00 N ATOM 889 CA GLN A 59 -6.134 -8.835 7.780 1.00 0.00 C ATOM 890 C GLN A 59 -5.739 -10.134 7.085 1.00 0.00 C ATOM 891 O GLN A 59 -6.054 -10.343 5.913 1.00 0.00 O ATOM 892 CB GLN A 59 -7.573 -8.933 8.289 1.00 0.00 C ATOM 893 CG GLN A 59 -8.003 -7.741 9.130 1.00 0.00 C ATOM 894 CD GLN A 59 -9.343 -7.956 9.804 1.00 0.00 C ATOM 895 OE1 GLN A 59 -9.471 -8.783 10.708 1.00 0.00 O ATOM 896 NE2 GLN A 59 -10.352 -7.212 9.367 1.00 0.00 N ATOM 0 H GLN A 59 -6.873 -7.340 6.508 1.00 0.00 H new ATOM 0 HA GLN A 59 -5.466 -8.680 8.627 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -8.246 -9.027 7.436 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -7.679 -9.842 8.881 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -7.246 -7.545 9.889 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -8.057 -6.855 8.497 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -10.201 -6.539 8.616 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.278 -7.314 9.783 1.00 0.00 H new ATOM 905 N ASP A 60 -5.046 -11.002 7.813 1.00 0.00 N ATOM 906 CA ASP A 60 -4.608 -12.281 7.267 1.00 0.00 C ATOM 907 C ASP A 60 -3.734 -12.075 6.034 1.00 0.00 C ATOM 908 O ASP A 60 -3.889 -12.767 5.028 1.00 0.00 O ATOM 909 CB ASP A 60 -5.817 -13.149 6.911 1.00 0.00 C ATOM 910 CG ASP A 60 -5.518 -14.631 7.021 1.00 0.00 C ATOM 911 OD1 ASP A 60 -4.827 -15.164 6.128 1.00 0.00 O ATOM 912 OD2 ASP A 60 -5.975 -15.258 8.000 1.00 0.00 O ATOM 0 H ASP A 60 -4.775 -10.843 8.783 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.017 -12.790 8.029 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -6.647 -12.899 7.571 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -6.138 -12.921 5.895 1.00 0.00 H new ATOM 917 N SER A 61 -2.816 -11.117 6.119 1.00 0.00 N ATOM 918 CA SER A 61 -1.920 -10.816 5.009 1.00 0.00 C ATOM 919 C SER A 61 -1.448 -12.097 4.328 1.00 0.00 C ATOM 920 O SER A 61 -1.551 -13.187 4.892 1.00 0.00 O ATOM 921 CB SER A 61 -0.715 -10.013 5.501 1.00 0.00 C ATOM 922 OG SER A 61 0.165 -10.826 6.258 1.00 0.00 O ATOM 0 H SER A 61 -2.674 -10.536 6.945 1.00 0.00 H new ATOM 0 HA SER A 61 -2.472 -10.221 4.281 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.183 -9.591 4.649 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.056 -9.176 6.110 1.00 0.00 H new ATOM 0 HG SER A 61 0.928 -10.290 6.560 1.00 0.00 H new ATOM 928 N VAL A 62 -0.931 -11.958 3.112 1.00 0.00 N ATOM 929 CA VAL A 62 -0.441 -13.103 2.354 1.00 0.00 C ATOM 930 C VAL A 62 0.782 -12.731 1.524 1.00 0.00 C ATOM 931 O VAL A 62 1.047 -11.559 1.254 1.00 0.00 O ATOM 932 CB VAL A 62 -1.530 -13.664 1.419 1.00 0.00 C ATOM 933 CG1 VAL A 62 -2.348 -14.730 2.132 1.00 0.00 C ATOM 934 CG2 VAL A 62 -2.425 -12.544 0.912 1.00 0.00 C ATOM 0 H VAL A 62 -0.840 -11.063 2.630 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.165 -13.868 3.080 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.044 -14.127 0.560 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.112 -15.115 1.456 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.693 -15.545 2.441 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.826 -14.295 3.010 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.188 -12.958 0.253 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.904 -12.050 1.757 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.825 -11.820 0.361 1.00 0.00 H new ATOM 944 N PRO A 63 1.548 -13.750 1.108 1.00 0.00 N ATOM 945 CA PRO A 63 2.757 -13.555 0.302 1.00 0.00 C ATOM 946 C PRO A 63 2.439 -13.088 -1.114 1.00 0.00 C ATOM 947 O PRO A 63 3.337 -12.923 -1.939 1.00 0.00 O ATOM 948 CB PRO A 63 3.394 -14.947 0.276 1.00 0.00 C ATOM 949 CG PRO A 63 2.258 -15.888 0.489 1.00 0.00 C ATOM 950 CD PRO A 63 1.292 -15.172 1.393 1.00 0.00 C ATOM 0 HA PRO A 63 3.405 -12.783 0.717 1.00 0.00 H new ATOM 0 HB2 PRO A 63 3.892 -15.137 -0.675 1.00 0.00 H new ATOM 0 HB3 PRO A 63 4.147 -15.052 1.057 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.786 -16.150 -0.458 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.601 -16.818 0.942 1.00 0.00 H new ATOM 0 HD2 PRO A 63 0.260 -15.446 1.175 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.471 -15.410 2.442 1.00 0.00 H new ATOM 958 N ALA A 64 1.156 -12.876 -1.389 1.00 0.00 N ATOM 959 CA ALA A 64 0.722 -12.425 -2.705 1.00 0.00 C ATOM 960 C ALA A 64 0.372 -10.940 -2.689 1.00 0.00 C ATOM 961 O ALA A 64 0.312 -10.296 -3.736 1.00 0.00 O ATOM 962 CB ALA A 64 -0.471 -13.244 -3.177 1.00 0.00 C ATOM 0 H ALA A 64 0.400 -13.009 -0.718 1.00 0.00 H new ATOM 0 HA ALA A 64 1.548 -12.570 -3.402 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.785 -12.896 -4.161 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.190 -14.295 -3.236 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.294 -13.128 -2.472 1.00 0.00 H new ATOM 968 N ASP A 65 0.144 -10.404 -1.495 1.00 0.00 N ATOM 969 CA ASP A 65 -0.199 -8.995 -1.343 1.00 0.00 C ATOM 970 C ASP A 65 1.056 -8.146 -1.166 1.00 0.00 C ATOM 971 O ASP A 65 1.013 -6.923 -1.295 1.00 0.00 O ATOM 972 CB ASP A 65 -1.133 -8.802 -0.147 1.00 0.00 C ATOM 973 CG ASP A 65 -2.473 -9.485 -0.342 1.00 0.00 C ATOM 974 OD1 ASP A 65 -2.572 -10.349 -1.238 1.00 0.00 O ATOM 975 OD2 ASP A 65 -3.421 -9.154 0.400 1.00 0.00 O ATOM 0 H ASP A 65 0.191 -10.924 -0.619 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.710 -8.671 -2.250 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.655 -9.195 0.750 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.292 -7.736 0.018 1.00 0.00 H new ATOM 980 N SER A 66 2.172 -8.804 -0.870 1.00 0.00 N ATOM 981 CA SER A 66 3.439 -8.110 -0.670 1.00 0.00 C ATOM 982 C SER A 66 3.744 -7.188 -1.847 1.00 0.00 C ATOM 983 O SER A 66 3.034 -7.190 -2.852 1.00 0.00 O ATOM 984 CB SER A 66 4.575 -9.119 -0.490 1.00 0.00 C ATOM 985 OG SER A 66 4.274 -10.048 0.536 1.00 0.00 O ATOM 0 H SER A 66 2.225 -9.817 -0.763 1.00 0.00 H new ATOM 0 HA SER A 66 3.355 -7.504 0.232 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.746 -9.650 -1.427 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.498 -8.592 -0.249 1.00 0.00 H new ATOM 0 HG SER A 66 4.569 -10.942 0.265 1.00 0.00 H new ATOM 991 N GLY A 67 4.806 -6.400 -1.713 1.00 0.00 N ATOM 992 CA GLY A 67 5.188 -5.483 -2.771 1.00 0.00 C ATOM 993 C GLY A 67 5.708 -4.164 -2.236 1.00 0.00 C ATOM 994 O GLY A 67 5.987 -4.036 -1.043 1.00 0.00 O ATOM 0 H GLY A 67 5.409 -6.380 -0.890 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.955 -5.948 -3.391 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.328 -5.297 -3.414 1.00 0.00 H new ATOM 998 N LEU A 68 5.840 -3.180 -3.119 1.00 0.00 N ATOM 999 CA LEU A 68 6.331 -1.863 -2.729 1.00 0.00 C ATOM 1000 C LEU A 68 5.204 -0.836 -2.739 1.00 0.00 C ATOM 1001 O LEU A 68 4.851 -0.295 -3.788 1.00 0.00 O ATOM 1002 CB LEU A 68 7.452 -1.416 -3.669 1.00 0.00 C ATOM 1003 CG LEU A 68 8.067 -0.047 -3.378 1.00 0.00 C ATOM 1004 CD1 LEU A 68 8.792 -0.061 -2.041 1.00 0.00 C ATOM 1005 CD2 LEU A 68 9.014 0.362 -4.497 1.00 0.00 C ATOM 0 H LEU A 68 5.614 -3.269 -4.110 1.00 0.00 H new ATOM 0 HA LEU A 68 6.723 -1.935 -1.714 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.245 -2.163 -3.636 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.063 -1.408 -4.687 1.00 0.00 H new ATOM 0 HG LEU A 68 7.263 0.687 -3.324 1.00 0.00 H new ATOM 0 HD11 LEU A 68 9.223 0.922 -1.851 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.087 -0.308 -1.247 1.00 0.00 H new ATOM 0 HD13 LEU A 68 9.586 -0.807 -2.066 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.442 1.339 -4.272 1.00 0.00 H new ATOM 0 HD22 LEU A 68 9.814 -0.373 -4.584 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.465 0.414 -5.437 1.00 0.00 H new ATOM 1017 N TYR A 69 4.643 -0.569 -1.564 1.00 0.00 N ATOM 1018 CA TYR A 69 3.555 0.393 -1.438 1.00 0.00 C ATOM 1019 C TYR A 69 4.087 1.823 -1.455 1.00 0.00 C ATOM 1020 O TYR A 69 5.133 2.115 -0.876 1.00 0.00 O ATOM 1021 CB TYR A 69 2.773 0.144 -0.147 1.00 0.00 C ATOM 1022 CG TYR A 69 2.086 -1.202 -0.105 1.00 0.00 C ATOM 1023 CD1 TYR A 69 2.816 -2.373 0.048 1.00 0.00 C ATOM 1024 CD2 TYR A 69 0.704 -1.301 -0.218 1.00 0.00 C ATOM 1025 CE1 TYR A 69 2.192 -3.605 0.086 1.00 0.00 C ATOM 1026 CE2 TYR A 69 0.071 -2.529 -0.180 1.00 0.00 C ATOM 1027 CZ TYR A 69 0.819 -3.677 -0.029 1.00 0.00 C ATOM 1028 OH TYR A 69 0.193 -4.902 0.010 1.00 0.00 O ATOM 0 H TYR A 69 4.924 -1.005 -0.686 1.00 0.00 H new ATOM 0 HA TYR A 69 2.888 0.262 -2.290 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.454 0.222 0.701 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.025 0.928 -0.028 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.891 -2.320 0.139 1.00 0.00 H new ATOM 0 HD2 TYR A 69 0.115 -0.403 -0.337 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.775 -4.506 0.205 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -1.004 -2.589 -0.268 1.00 0.00 H new ATOM 0 HH TYR A 69 0.833 -5.604 -0.229 1.00 0.00 H new ATOM 1038 N ALA A 70 3.359 2.710 -2.124 1.00 0.00 N ATOM 1039 CA ALA A 70 3.755 4.110 -2.216 1.00 0.00 C ATOM 1040 C ALA A 70 2.550 5.033 -2.066 1.00 0.00 C ATOM 1041 O ALA A 70 1.604 4.968 -2.852 1.00 0.00 O ATOM 1042 CB ALA A 70 4.462 4.373 -3.537 1.00 0.00 C ATOM 0 H ALA A 70 2.491 2.484 -2.611 1.00 0.00 H new ATOM 0 HA ALA A 70 4.445 4.321 -1.399 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.752 5.422 -3.592 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.352 3.747 -3.605 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.790 4.139 -4.362 1.00 0.00 H new ATOM 1048 N CYS A 71 2.589 5.890 -1.052 1.00 0.00 N ATOM 1049 CA CYS A 71 1.501 6.826 -0.797 1.00 0.00 C ATOM 1050 C CYS A 71 1.842 8.215 -1.328 1.00 0.00 C ATOM 1051 O CYS A 71 2.875 8.787 -0.982 1.00 0.00 O ATOM 1052 CB CYS A 71 1.203 6.899 0.702 1.00 0.00 C ATOM 1053 SG CYS A 71 2.336 7.980 1.632 1.00 0.00 S ATOM 0 H CYS A 71 3.364 5.956 -0.392 1.00 0.00 H new ATOM 0 HA CYS A 71 0.615 6.465 -1.319 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.182 7.254 0.842 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.251 5.894 1.121 1.00 0.00 H new ATOM 1058 N VAL A 72 0.965 8.752 -2.171 1.00 0.00 N ATOM 1059 CA VAL A 72 1.172 10.075 -2.749 1.00 0.00 C ATOM 1060 C VAL A 72 0.101 11.053 -2.280 1.00 0.00 C ATOM 1061 O VAL A 72 -1.088 10.859 -2.536 1.00 0.00 O ATOM 1062 CB VAL A 72 1.165 10.022 -4.288 1.00 0.00 C ATOM 1063 CG1 VAL A 72 1.689 11.326 -4.870 1.00 0.00 C ATOM 1064 CG2 VAL A 72 1.985 8.840 -4.784 1.00 0.00 C ATOM 0 H VAL A 72 0.105 8.291 -2.469 1.00 0.00 H new ATOM 0 HA VAL A 72 2.149 10.420 -2.409 1.00 0.00 H new ATOM 0 HB VAL A 72 0.137 9.889 -4.625 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.677 11.270 -5.958 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.056 12.151 -4.542 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.710 11.493 -4.527 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.969 8.818 -5.874 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.014 8.940 -4.438 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.560 7.914 -4.396 1.00 0.00 H new ATOM 1074 N THR A 73 0.530 12.107 -1.592 1.00 0.00 N ATOM 1075 CA THR A 73 -0.392 13.116 -1.086 1.00 0.00 C ATOM 1076 C THR A 73 -0.365 14.369 -1.954 1.00 0.00 C ATOM 1077 O THR A 73 0.703 14.903 -2.257 1.00 0.00 O ATOM 1078 CB THR A 73 -0.059 13.503 0.367 1.00 0.00 C ATOM 1079 OG1 THR A 73 1.207 14.171 0.418 1.00 0.00 O ATOM 1080 CG2 THR A 73 -0.025 12.273 1.261 1.00 0.00 C ATOM 0 H THR A 73 1.510 12.284 -1.373 1.00 0.00 H new ATOM 0 HA THR A 73 -1.389 12.678 -1.117 1.00 0.00 H new ATOM 0 HB THR A 73 -0.839 14.174 0.729 1.00 0.00 H new ATOM 0 HG1 THR A 73 1.346 14.672 -0.413 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.212 12.572 2.282 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.999 11.783 1.243 1.00 0.00 H new ATOM 0 HG23 THR A 73 0.736 11.581 0.899 1.00 0.00 H new ATOM 1088 N SER A 74 -1.545 14.835 -2.350 1.00 0.00 N ATOM 1089 CA SER A 74 -1.655 16.025 -3.185 1.00 0.00 C ATOM 1090 C SER A 74 -1.820 17.277 -2.329 1.00 0.00 C ATOM 1091 O SER A 74 -2.837 17.454 -1.658 1.00 0.00 O ATOM 1092 CB SER A 74 -2.839 15.891 -4.146 1.00 0.00 C ATOM 1093 OG SER A 74 -2.587 14.903 -5.130 1.00 0.00 O ATOM 0 H SER A 74 -2.438 14.407 -2.106 1.00 0.00 H new ATOM 0 HA SER A 74 -0.735 16.120 -3.762 1.00 0.00 H new ATOM 0 HB2 SER A 74 -3.738 15.631 -3.587 1.00 0.00 H new ATOM 0 HB3 SER A 74 -3.030 16.849 -4.629 1.00 0.00 H new ATOM 0 HG SER A 74 -3.358 14.835 -5.731 1.00 0.00 H new ATOM 1099 N SER A 75 -0.812 18.143 -2.357 1.00 0.00 N ATOM 1100 CA SER A 75 -0.842 19.377 -1.581 1.00 0.00 C ATOM 1101 C SER A 75 -0.667 20.592 -2.486 1.00 0.00 C ATOM 1102 O SER A 75 -0.089 20.513 -3.570 1.00 0.00 O ATOM 1103 CB SER A 75 0.254 19.360 -0.514 1.00 0.00 C ATOM 1104 OG SER A 75 1.531 19.166 -1.097 1.00 0.00 O ATOM 0 H SER A 75 0.036 18.013 -2.909 1.00 0.00 H new ATOM 0 HA SER A 75 -1.814 19.446 -1.093 1.00 0.00 H new ATOM 0 HB2 SER A 75 0.242 20.299 0.039 1.00 0.00 H new ATOM 0 HB3 SER A 75 0.054 18.565 0.204 1.00 0.00 H new ATOM 0 HG SER A 75 1.442 19.119 -2.072 1.00 0.00 H new ATOM 1110 N PRO A 76 -1.179 21.746 -2.032 1.00 0.00 N ATOM 1111 CA PRO A 76 -1.092 23.001 -2.784 1.00 0.00 C ATOM 1112 C PRO A 76 0.332 23.543 -2.845 1.00 0.00 C ATOM 1113 O PRO A 76 0.574 24.618 -3.394 1.00 0.00 O ATOM 1114 CB PRO A 76 -1.993 23.952 -1.992 1.00 0.00 C ATOM 1115 CG PRO A 76 -1.995 23.406 -0.606 1.00 0.00 C ATOM 1116 CD PRO A 76 -1.881 21.914 -0.749 1.00 0.00 C ATOM 0 HA PRO A 76 -1.392 22.875 -3.824 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -1.609 24.972 -2.015 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -3.000 23.981 -2.408 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -1.163 23.807 -0.027 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -2.910 23.679 -0.080 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -1.321 21.473 0.076 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -2.860 21.436 -0.761 1.00 0.00 H new ATOM 1124 N SER A 77 1.271 22.793 -2.277 1.00 0.00 N ATOM 1125 CA SER A 77 2.671 23.200 -2.264 1.00 0.00 C ATOM 1126 C SER A 77 3.540 22.183 -2.998 1.00 0.00 C ATOM 1127 O SER A 77 4.727 22.412 -3.223 1.00 0.00 O ATOM 1128 CB SER A 77 3.163 23.364 -0.825 1.00 0.00 C ATOM 1129 OG SER A 77 2.736 24.600 -0.277 1.00 0.00 O ATOM 0 H SER A 77 1.087 21.900 -1.820 1.00 0.00 H new ATOM 0 HA SER A 77 2.750 24.158 -2.779 1.00 0.00 H new ATOM 0 HB2 SER A 77 2.789 22.543 -0.214 1.00 0.00 H new ATOM 0 HB3 SER A 77 4.251 23.309 -0.801 1.00 0.00 H new ATOM 0 HG SER A 77 3.062 24.680 0.644 1.00 0.00 H new ATOM 1135 N GLY A 78 2.937 21.057 -3.368 1.00 0.00 N ATOM 1136 CA GLY A 78 3.669 20.021 -4.072 1.00 0.00 C ATOM 1137 C GLY A 78 3.026 18.656 -3.927 1.00 0.00 C ATOM 1138 O GLY A 78 1.802 18.542 -3.866 1.00 0.00 O ATOM 0 H GLY A 78 1.955 20.844 -3.193 1.00 0.00 H new ATOM 0 HA2 GLY A 78 3.732 20.279 -5.129 1.00 0.00 H new ATOM 0 HA3 GLY A 78 4.690 19.980 -3.693 1.00 0.00 H new ATOM 1142 N SER A 79 3.853 17.617 -3.873 1.00 0.00 N ATOM 1143 CA SER A 79 3.358 16.252 -3.739 1.00 0.00 C ATOM 1144 C SER A 79 4.430 15.339 -3.152 1.00 0.00 C ATOM 1145 O SER A 79 5.484 15.133 -3.754 1.00 0.00 O ATOM 1146 CB SER A 79 2.906 15.716 -5.099 1.00 0.00 C ATOM 1147 OG SER A 79 3.737 16.199 -6.140 1.00 0.00 O ATOM 0 H SER A 79 4.869 17.694 -3.920 1.00 0.00 H new ATOM 0 HA SER A 79 2.506 16.266 -3.059 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.927 14.626 -5.089 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.874 16.013 -5.286 1.00 0.00 H new ATOM 0 HG SER A 79 3.428 15.841 -6.998 1.00 0.00 H new ATOM 1153 N ASP A 80 4.154 14.796 -1.971 1.00 0.00 N ATOM 1154 CA ASP A 80 5.093 13.905 -1.301 1.00 0.00 C ATOM 1155 C ASP A 80 4.843 12.453 -1.698 1.00 0.00 C ATOM 1156 O ASP A 80 3.824 12.132 -2.310 1.00 0.00 O ATOM 1157 CB ASP A 80 4.980 14.058 0.217 1.00 0.00 C ATOM 1158 CG ASP A 80 6.299 13.812 0.923 1.00 0.00 C ATOM 1159 OD1 ASP A 80 7.357 14.003 0.287 1.00 0.00 O ATOM 1160 OD2 ASP A 80 6.273 13.428 2.111 1.00 0.00 O ATOM 0 H ASP A 80 3.287 14.958 -1.458 1.00 0.00 H new ATOM 0 HA ASP A 80 6.101 14.180 -1.612 1.00 0.00 H new ATOM 0 HB2 ASP A 80 4.627 15.062 0.453 1.00 0.00 H new ATOM 0 HB3 ASP A 80 4.233 13.360 0.595 1.00 0.00 H new ATOM 1165 N THR A 81 5.780 11.578 -1.345 1.00 0.00 N ATOM 1166 CA THR A 81 5.662 10.162 -1.666 1.00 0.00 C ATOM 1167 C THR A 81 6.381 9.302 -0.633 1.00 0.00 C ATOM 1168 O THR A 81 7.581 9.459 -0.406 1.00 0.00 O ATOM 1169 CB THR A 81 6.235 9.852 -3.062 1.00 0.00 C ATOM 1170 OG1 THR A 81 5.808 10.848 -3.999 1.00 0.00 O ATOM 1171 CG2 THR A 81 5.791 8.477 -3.537 1.00 0.00 C ATOM 0 H THR A 81 6.629 11.826 -0.837 1.00 0.00 H new ATOM 0 HA THR A 81 4.598 9.924 -1.657 1.00 0.00 H new ATOM 0 HB THR A 81 7.323 9.861 -2.994 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.178 10.645 -4.884 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.208 8.281 -4.525 1.00 0.00 H new ATOM 0 HG22 THR A 81 6.143 7.719 -2.837 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.703 8.444 -3.590 1.00 0.00 H new ATOM 1179 N THR A 82 5.640 8.393 -0.007 1.00 0.00 N ATOM 1180 CA THR A 82 6.207 7.508 1.003 1.00 0.00 C ATOM 1181 C THR A 82 6.135 6.051 0.561 1.00 0.00 C ATOM 1182 O THR A 82 5.052 5.518 0.318 1.00 0.00 O ATOM 1183 CB THR A 82 5.481 7.659 2.353 1.00 0.00 C ATOM 1184 OG1 THR A 82 5.002 9.001 2.505 1.00 0.00 O ATOM 1185 CG2 THR A 82 6.408 7.312 3.508 1.00 0.00 C ATOM 0 H THR A 82 4.645 8.250 -0.182 1.00 0.00 H new ATOM 0 HA THR A 82 7.251 7.796 1.125 1.00 0.00 H new ATOM 0 HB THR A 82 4.637 6.969 2.366 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.084 9.061 2.168 1.00 0.00 H new ATOM 0 HG21 THR A 82 5.873 7.426 4.451 1.00 0.00 H new ATOM 0 HG22 THR A 82 6.747 6.281 3.405 1.00 0.00 H new ATOM 0 HG23 THR A 82 7.269 7.980 3.497 1.00 0.00 H new ATOM 1193 N TYR A 83 7.295 5.412 0.458 1.00 0.00 N ATOM 1194 CA TYR A 83 7.364 4.015 0.043 1.00 0.00 C ATOM 1195 C TYR A 83 7.336 3.086 1.252 1.00 0.00 C ATOM 1196 O TYR A 83 7.640 3.496 2.373 1.00 0.00 O ATOM 1197 CB TYR A 83 8.631 3.767 -0.777 1.00 0.00 C ATOM 1198 CG TYR A 83 8.682 4.554 -2.067 1.00 0.00 C ATOM 1199 CD1 TYR A 83 9.128 5.870 -2.084 1.00 0.00 C ATOM 1200 CD2 TYR A 83 8.284 3.982 -3.269 1.00 0.00 C ATOM 1201 CE1 TYR A 83 9.175 6.593 -3.260 1.00 0.00 C ATOM 1202 CE2 TYR A 83 8.330 4.697 -4.450 1.00 0.00 C ATOM 1203 CZ TYR A 83 8.775 6.002 -4.440 1.00 0.00 C ATOM 1204 OH TYR A 83 8.822 6.718 -5.614 1.00 0.00 O ATOM 0 H TYR A 83 8.200 5.838 0.656 1.00 0.00 H new ATOM 0 HA TYR A 83 6.492 3.802 -0.576 1.00 0.00 H new ATOM 0 HB2 TYR A 83 9.501 4.021 -0.172 1.00 0.00 H new ATOM 0 HB3 TYR A 83 8.702 2.704 -1.007 1.00 0.00 H new ATOM 0 HD1 TYR A 83 9.443 6.335 -1.162 1.00 0.00 H new ATOM 0 HD2 TYR A 83 7.933 2.961 -3.280 1.00 0.00 H new ATOM 0 HE1 TYR A 83 9.523 7.615 -3.255 1.00 0.00 H new ATOM 0 HE2 TYR A 83 8.019 4.236 -5.376 1.00 0.00 H new ATOM 0 HH TYR A 83 8.507 6.156 -6.353 1.00 0.00 H new ATOM 1214 N PHE A 84 6.971 1.830 1.016 1.00 0.00 N ATOM 1215 CA PHE A 84 6.903 0.840 2.085 1.00 0.00 C ATOM 1216 C PHE A 84 7.133 -0.566 1.540 1.00 0.00 C ATOM 1217 O PHE A 84 6.272 -1.131 0.865 1.00 0.00 O ATOM 1218 CB PHE A 84 5.546 0.910 2.789 1.00 0.00 C ATOM 1219 CG PHE A 84 5.108 2.311 3.109 1.00 0.00 C ATOM 1220 CD1 PHE A 84 4.392 3.055 2.185 1.00 0.00 C ATOM 1221 CD2 PHE A 84 5.412 2.883 4.333 1.00 0.00 C ATOM 1222 CE1 PHE A 84 3.989 4.345 2.477 1.00 0.00 C ATOM 1223 CE2 PHE A 84 5.011 4.172 4.631 1.00 0.00 C ATOM 1224 CZ PHE A 84 4.298 4.903 3.702 1.00 0.00 C ATOM 0 H PHE A 84 6.718 1.474 0.094 1.00 0.00 H new ATOM 0 HA PHE A 84 7.690 1.065 2.805 1.00 0.00 H new ATOM 0 HB2 PHE A 84 4.793 0.438 2.158 1.00 0.00 H new ATOM 0 HB3 PHE A 84 5.595 0.333 3.713 1.00 0.00 H new ATOM 0 HD1 PHE A 84 4.146 2.623 1.226 1.00 0.00 H new ATOM 0 HD2 PHE A 84 5.969 2.315 5.064 1.00 0.00 H new ATOM 0 HE1 PHE A 84 3.433 4.916 1.748 1.00 0.00 H new ATOM 0 HE2 PHE A 84 5.255 4.606 5.589 1.00 0.00 H new ATOM 0 HZ PHE A 84 3.982 5.910 3.933 1.00 0.00 H new ATOM 1234 N SER A 85 8.302 -1.125 1.836 1.00 0.00 N ATOM 1235 CA SER A 85 8.649 -2.463 1.373 1.00 0.00 C ATOM 1236 C SER A 85 8.048 -3.528 2.286 1.00 0.00 C ATOM 1237 O SER A 85 8.539 -3.763 3.391 1.00 0.00 O ATOM 1238 CB SER A 85 10.169 -2.627 1.311 1.00 0.00 C ATOM 1239 OG SER A 85 10.545 -3.980 1.500 1.00 0.00 O ATOM 0 H SER A 85 9.025 -0.672 2.395 1.00 0.00 H new ATOM 0 HA SER A 85 8.236 -2.592 0.373 1.00 0.00 H new ATOM 0 HB2 SER A 85 10.537 -2.276 0.347 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.636 -2.006 2.076 1.00 0.00 H new ATOM 0 HG SER A 85 11.521 -4.058 1.454 1.00 0.00 H new ATOM 1245 N VAL A 86 6.983 -4.169 1.816 1.00 0.00 N ATOM 1246 CA VAL A 86 6.315 -5.209 2.589 1.00 0.00 C ATOM 1247 C VAL A 86 6.738 -6.598 2.123 1.00 0.00 C ATOM 1248 O VAL A 86 7.054 -6.800 0.951 1.00 0.00 O ATOM 1249 CB VAL A 86 4.783 -5.090 2.484 1.00 0.00 C ATOM 1250 CG1 VAL A 86 4.109 -6.316 3.080 1.00 0.00 C ATOM 1251 CG2 VAL A 86 4.299 -3.820 3.168 1.00 0.00 C ATOM 0 H VAL A 86 6.564 -3.986 0.904 1.00 0.00 H new ATOM 0 HA VAL A 86 6.613 -5.071 3.628 1.00 0.00 H new ATOM 0 HB VAL A 86 4.513 -5.033 1.430 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.027 -6.213 2.996 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.432 -7.207 2.541 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.385 -6.408 4.131 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.214 -3.752 3.084 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.581 -3.844 4.221 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.755 -2.953 2.690 1.00 0.00 H new ATOM 1261 N ASN A 87 6.742 -7.551 3.049 1.00 0.00 N ATOM 1262 CA ASN A 87 7.127 -8.922 2.733 1.00 0.00 C ATOM 1263 C ASN A 87 6.381 -9.914 3.620 1.00 0.00 C ATOM 1264 O ASN A 87 6.694 -10.065 4.801 1.00 0.00 O ATOM 1265 CB ASN A 87 8.637 -9.102 2.905 1.00 0.00 C ATOM 1266 CG ASN A 87 9.206 -10.143 1.961 1.00 0.00 C ATOM 1267 OD1 ASN A 87 8.996 -10.080 0.750 1.00 0.00 O ATOM 1268 ND2 ASN A 87 9.931 -11.109 2.514 1.00 0.00 N ATOM 0 H ASN A 87 6.483 -7.400 4.024 1.00 0.00 H new ATOM 0 HA ASN A 87 6.860 -9.118 1.694 1.00 0.00 H new ATOM 0 HB2 ASN A 87 9.136 -8.148 2.733 1.00 0.00 H new ATOM 0 HB3 ASN A 87 8.851 -9.393 3.934 1.00 0.00 H new ATOM 0 HD21 ASN A 87 10.340 -11.838 1.930 1.00 0.00 H new ATOM 0 HD22 ASN A 87 10.079 -11.121 3.523 1.00 0.00 H new ATOM 1275 N VAL A 88 5.393 -10.590 3.041 1.00 0.00 N ATOM 1276 CA VAL A 88 4.604 -11.570 3.777 1.00 0.00 C ATOM 1277 C VAL A 88 5.084 -12.988 3.493 1.00 0.00 C ATOM 1278 O VAL A 88 5.072 -13.441 2.348 1.00 0.00 O ATOM 1279 CB VAL A 88 3.108 -11.465 3.423 1.00 0.00 C ATOM 1280 CG1 VAL A 88 2.280 -12.362 4.331 1.00 0.00 C ATOM 1281 CG2 VAL A 88 2.639 -10.021 3.515 1.00 0.00 C ATOM 0 H VAL A 88 5.120 -10.477 2.065 1.00 0.00 H new ATOM 0 HA VAL A 88 4.736 -11.351 4.837 1.00 0.00 H new ATOM 0 HB VAL A 88 2.971 -11.803 2.396 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.226 -12.275 4.066 1.00 0.00 H new ATOM 0 HG12 VAL A 88 2.600 -13.397 4.210 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.420 -12.058 5.368 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.580 -9.965 3.262 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.789 -9.654 4.530 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.211 -9.408 2.819 1.00 0.00 H new ATOM 1291 N SER A 89 5.506 -13.686 4.542 1.00 0.00 N ATOM 1292 CA SER A 89 5.994 -15.053 4.405 1.00 0.00 C ATOM 1293 C SER A 89 5.988 -15.770 5.752 1.00 0.00 C ATOM 1294 O SER A 89 6.305 -15.178 6.784 1.00 0.00 O ATOM 1295 CB SER A 89 7.407 -15.057 3.819 1.00 0.00 C ATOM 1296 OG SER A 89 7.760 -16.345 3.347 1.00 0.00 O ATOM 0 H SER A 89 5.520 -13.327 5.497 1.00 0.00 H new ATOM 0 HA SER A 89 5.326 -15.584 3.727 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.467 -14.338 3.002 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.120 -14.737 4.579 1.00 0.00 H new ATOM 0 HG SER A 89 8.667 -16.320 2.976 1.00 0.00 H new ATOM 1302 N ASP A 90 5.625 -17.047 5.734 1.00 0.00 N ATOM 1303 CA ASP A 90 5.578 -17.846 6.953 1.00 0.00 C ATOM 1304 C ASP A 90 6.956 -17.928 7.603 1.00 0.00 C ATOM 1305 O ASP A 90 7.085 -18.333 8.757 1.00 0.00 O ATOM 1306 CB ASP A 90 5.061 -19.253 6.646 1.00 0.00 C ATOM 1307 CG ASP A 90 5.532 -20.277 7.660 1.00 0.00 C ATOM 1308 OD1 ASP A 90 5.015 -20.268 8.797 1.00 0.00 O ATOM 1309 OD2 ASP A 90 6.419 -21.087 7.318 1.00 0.00 O ATOM 0 H ASP A 90 5.359 -17.552 4.889 1.00 0.00 H new ATOM 0 HA ASP A 90 4.896 -17.360 7.650 1.00 0.00 H new ATOM 0 HB2 ASP A 90 3.971 -19.240 6.626 1.00 0.00 H new ATOM 0 HB3 ASP A 90 5.394 -19.551 5.652 1.00 0.00 H new ATOM 1314 N ALA A 91 7.982 -17.542 6.852 1.00 0.00 N ATOM 1315 CA ALA A 91 9.350 -17.570 7.355 1.00 0.00 C ATOM 1316 C ALA A 91 9.637 -16.358 8.235 1.00 0.00 C ATOM 1317 O ALA A 91 9.630 -15.220 7.763 1.00 0.00 O ATOM 1318 CB ALA A 91 10.337 -17.631 6.198 1.00 0.00 C ATOM 0 H ALA A 91 7.892 -17.206 5.893 1.00 0.00 H new ATOM 0 HA ALA A 91 9.468 -18.465 7.966 1.00 0.00 H new ATOM 0 HB1 ALA A 91 11.354 -17.651 6.588 1.00 0.00 H new ATOM 0 HB2 ALA A 91 10.155 -18.532 5.612 1.00 0.00 H new ATOM 0 HB3 ALA A 91 10.209 -16.754 5.564 1.00 0.00 H new ATOM 1324 N LEU A 92 9.888 -16.609 9.515 1.00 0.00 N ATOM 1325 CA LEU A 92 10.177 -15.537 10.462 1.00 0.00 C ATOM 1326 C LEU A 92 11.331 -15.920 11.383 1.00 0.00 C ATOM 1327 O LEU A 92 11.549 -17.093 11.690 1.00 0.00 O ATOM 1328 CB LEU A 92 8.933 -15.214 11.291 1.00 0.00 C ATOM 1329 CG LEU A 92 7.663 -14.899 10.501 1.00 0.00 C ATOM 1330 CD1 LEU A 92 6.430 -15.113 11.365 1.00 0.00 C ATOM 1331 CD2 LEU A 92 7.704 -13.472 9.972 1.00 0.00 C ATOM 0 H LEU A 92 9.897 -17.545 9.921 1.00 0.00 H new ATOM 0 HA LEU A 92 10.468 -14.653 9.895 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.728 -16.060 11.947 1.00 0.00 H new ATOM 0 HB3 LEU A 92 9.159 -14.362 11.932 1.00 0.00 H new ATOM 0 HG LEU A 92 7.609 -15.579 9.651 1.00 0.00 H new ATOM 0 HD11 LEU A 92 5.536 -14.884 10.786 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.393 -16.151 11.695 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.477 -14.458 12.235 1.00 0.00 H new ATOM 0 HD21 LEU A 92 6.792 -13.265 9.412 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.783 -12.776 10.807 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.567 -13.351 9.317 1.00 0.00 H new ATOM 1343 N PRO A 93 12.088 -14.910 11.836 1.00 0.00 N ATOM 1344 CA PRO A 93 13.230 -15.116 12.730 1.00 0.00 C ATOM 1345 C PRO A 93 12.802 -15.551 14.128 1.00 0.00 C ATOM 1346 O PRO A 93 13.639 -15.844 14.981 1.00 0.00 O ATOM 1347 CB PRO A 93 13.895 -13.738 12.780 1.00 0.00 C ATOM 1348 CG PRO A 93 12.800 -12.778 12.469 1.00 0.00 C ATOM 1349 CD PRO A 93 11.886 -13.488 11.510 1.00 0.00 C ATOM 0 HA PRO A 93 13.887 -15.909 12.374 1.00 0.00 H new ATOM 0 HB2 PRO A 93 14.326 -13.542 13.762 1.00 0.00 H new ATOM 0 HB3 PRO A 93 14.705 -13.663 12.055 1.00 0.00 H new ATOM 0 HG2 PRO A 93 12.267 -12.488 13.374 1.00 0.00 H new ATOM 0 HG3 PRO A 93 13.196 -11.864 12.026 1.00 0.00 H new ATOM 0 HD2 PRO A 93 10.847 -13.188 11.648 1.00 0.00 H new ATOM 0 HD3 PRO A 93 12.145 -13.273 10.473 1.00 0.00 H new ATOM 1357 N SER A 94 11.492 -15.591 14.354 1.00 0.00 N ATOM 1358 CA SER A 94 10.953 -15.987 15.650 1.00 0.00 C ATOM 1359 C SER A 94 11.760 -17.136 16.246 1.00 0.00 C ATOM 1360 O SER A 94 12.232 -17.056 17.379 1.00 0.00 O ATOM 1361 CB SER A 94 9.485 -16.397 15.511 1.00 0.00 C ATOM 1362 OG SER A 94 8.718 -15.358 14.928 1.00 0.00 O ATOM 0 H SER A 94 10.786 -15.354 13.657 1.00 0.00 H new ATOM 0 HA SER A 94 11.022 -15.131 16.322 1.00 0.00 H new ATOM 0 HB2 SER A 94 9.412 -17.295 14.898 1.00 0.00 H new ATOM 0 HB3 SER A 94 9.079 -16.646 16.492 1.00 0.00 H new ATOM 0 HG SER A 94 7.785 -15.646 14.849 1.00 0.00 H new ATOM 1368 N GLY A 95 11.913 -18.207 15.473 1.00 0.00 N ATOM 1369 CA GLY A 95 12.663 -19.358 15.940 1.00 0.00 C ATOM 1370 C GLY A 95 11.780 -20.567 16.179 1.00 0.00 C ATOM 1371 O GLY A 95 10.586 -20.560 15.877 1.00 0.00 O ATOM 0 H GLY A 95 11.531 -18.298 14.532 1.00 0.00 H new ATOM 0 HA2 GLY A 95 13.429 -19.611 15.207 1.00 0.00 H new ATOM 0 HA3 GLY A 95 13.179 -19.101 16.865 1.00 0.00 H new ATOM 1375 N PRO A 96 12.371 -21.637 16.732 1.00 0.00 N ATOM 1376 CA PRO A 96 11.648 -22.879 17.022 1.00 0.00 C ATOM 1377 C PRO A 96 10.652 -22.716 18.165 1.00 0.00 C ATOM 1378 O PRO A 96 10.697 -21.734 18.906 1.00 0.00 O ATOM 1379 CB PRO A 96 12.761 -23.852 17.418 1.00 0.00 C ATOM 1380 CG PRO A 96 13.863 -22.984 17.921 1.00 0.00 C ATOM 1381 CD PRO A 96 13.790 -21.715 17.117 1.00 0.00 C ATOM 0 HA PRO A 96 11.053 -23.213 16.172 1.00 0.00 H new ATOM 0 HB2 PRO A 96 12.423 -24.548 18.186 1.00 0.00 H new ATOM 0 HB3 PRO A 96 13.085 -24.450 16.566 1.00 0.00 H new ATOM 0 HG2 PRO A 96 13.744 -22.779 18.985 1.00 0.00 H new ATOM 0 HG3 PRO A 96 14.831 -23.470 17.796 1.00 0.00 H new ATOM 0 HD2 PRO A 96 14.095 -20.849 17.704 1.00 0.00 H new ATOM 0 HD3 PRO A 96 14.442 -21.754 16.244 1.00 0.00 H new ATOM 1389 N SER A 97 9.753 -23.685 18.302 1.00 0.00 N ATOM 1390 CA SER A 97 8.742 -23.648 19.353 1.00 0.00 C ATOM 1391 C SER A 97 8.397 -25.057 19.826 1.00 0.00 C ATOM 1392 O SER A 97 8.078 -25.932 19.022 1.00 0.00 O ATOM 1393 CB SER A 97 7.481 -22.942 18.852 1.00 0.00 C ATOM 1394 OG SER A 97 7.656 -21.536 18.833 1.00 0.00 O ATOM 0 H SER A 97 9.704 -24.506 17.698 1.00 0.00 H new ATOM 0 HA SER A 97 9.151 -23.091 20.196 1.00 0.00 H new ATOM 0 HB2 SER A 97 7.237 -23.295 17.850 1.00 0.00 H new ATOM 0 HB3 SER A 97 6.638 -23.198 19.494 1.00 0.00 H new ATOM 0 HG SER A 97 8.601 -21.322 18.981 1.00 0.00 H new ATOM 1400 N SER A 98 8.465 -25.267 21.136 1.00 0.00 N ATOM 1401 CA SER A 98 8.163 -26.570 21.717 1.00 0.00 C ATOM 1402 C SER A 98 7.061 -26.456 22.766 1.00 0.00 C ATOM 1403 O SER A 98 7.266 -25.890 23.839 1.00 0.00 O ATOM 1404 CB SER A 98 9.420 -27.175 22.346 1.00 0.00 C ATOM 1405 OG SER A 98 10.475 -27.254 21.403 1.00 0.00 O ATOM 0 H SER A 98 8.726 -24.552 21.815 1.00 0.00 H new ATOM 0 HA SER A 98 7.814 -27.224 20.918 1.00 0.00 H new ATOM 0 HB2 SER A 98 9.733 -26.569 23.196 1.00 0.00 H new ATOM 0 HB3 SER A 98 9.196 -28.170 22.729 1.00 0.00 H new ATOM 0 HG SER A 98 11.267 -27.642 21.830 1.00 0.00 H new ATOM 1411 N GLY A 99 5.890 -26.998 22.446 1.00 0.00 N ATOM 1412 CA GLY A 99 4.772 -26.947 23.370 1.00 0.00 C ATOM 1413 C GLY A 99 5.151 -27.399 24.766 1.00 0.00 C ATOM 1414 O GLY A 99 5.701 -28.485 24.946 1.00 0.00 O ATOM 0 H GLY A 99 5.696 -27.471 21.564 1.00 0.00 H new ATOM 0 HA2 GLY A 99 4.387 -25.928 23.414 1.00 0.00 H new ATOM 0 HA3 GLY A 99 3.965 -27.577 22.994 1.00 0.00 H new TER 1418 GLY A 99