USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 740 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 68 THR OG1 : rot 180:sc= -0.41 USER MOD Set 1.2: A 71 GLN : amide:sc= -0.948 K(o=-1.4,f=-1.9!) USER MOD Single : A 1 GLY N :NH3+ -98:sc= 0.0209 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0794 USER MOD Single : A 3 SER OG : rot 30:sc= 0.0659 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 9 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot 180:sc= 0.0293 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 177:sc= -1.71 (180deg=-1.77) USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 150:sc= 0 USER MOD Single : A 41 SER OG : rot 137:sc= -1.17 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0161 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -39:sc= -2.29 USER MOD Single : A 53 HIS : no HE2:sc= -1.12 K(o=-1.1,f=-2.4!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN :FLIP amide:sc= -0.457 F(o=-1.3,f=-0.46) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl 166:sc= -4.23! (180deg=-4.44!) USER MOD Single : A 75 ASN : amide:sc= -4.86! C(o=-4.9!,f=-6.3!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0396 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 154:sc= 0.00345 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -0.16 K(o=-0.16,f=-0.97) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -0.192 X(o=-0.19,f=-0.056) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 93 SER OG : rot -17:sc= 0.511 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.650 25.320 -3.427 1.00 0.00 N ATOM 2 CA GLY A 1 -12.946 23.864 -3.516 1.00 0.00 C ATOM 3 C GLY A 1 -14.092 23.450 -2.614 1.00 0.00 C ATOM 4 O GLY A 1 -14.324 24.062 -1.570 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.109 25.817 -4.217 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.012 25.693 -2.526 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.622 25.469 -3.475 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.188 23.608 -4.547 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.054 23.298 -3.248 1.00 0.00 H new ATOM 10 N SER A 2 -14.812 22.407 -3.015 1.00 0.00 N ATOM 11 CA SER A 2 -15.941 21.911 -2.236 1.00 0.00 C ATOM 12 C SER A 2 -15.463 21.253 -0.945 1.00 0.00 C ATOM 13 O SER A 2 -16.153 21.290 0.073 1.00 0.00 O ATOM 14 CB SER A 2 -16.756 20.913 -3.059 1.00 0.00 C ATOM 15 OG SER A 2 -15.943 20.253 -4.013 1.00 0.00 O ATOM 0 H SER A 2 -14.634 21.889 -3.875 1.00 0.00 H new ATOM 0 HA SER A 2 -16.574 22.760 -1.978 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.213 20.178 -2.396 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.568 21.433 -3.567 1.00 0.00 H new ATOM 0 HG SER A 2 -16.488 19.619 -4.525 1.00 0.00 H new ATOM 21 N SER A 3 -14.278 20.652 -0.996 1.00 0.00 N ATOM 22 CA SER A 3 -13.708 19.985 0.169 1.00 0.00 C ATOM 23 C SER A 3 -12.187 20.088 0.163 1.00 0.00 C ATOM 24 O SER A 3 -11.576 20.345 -0.875 1.00 0.00 O ATOM 25 CB SER A 3 -14.132 18.516 0.200 1.00 0.00 C ATOM 26 OG SER A 3 -15.362 18.353 0.886 1.00 0.00 O ATOM 0 H SER A 3 -13.694 20.613 -1.832 1.00 0.00 H new ATOM 0 HA SER A 3 -14.084 20.483 1.063 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.228 18.141 -0.819 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.359 17.922 0.687 1.00 0.00 H new ATOM 0 HG SER A 3 -15.902 19.165 0.787 1.00 0.00 H new ATOM 32 N GLY A 4 -11.580 19.884 1.327 1.00 0.00 N ATOM 33 CA GLY A 4 -10.135 19.957 1.434 1.00 0.00 C ATOM 34 C GLY A 4 -9.677 20.431 2.799 1.00 0.00 C ATOM 35 O GLY A 4 -9.773 21.618 3.115 1.00 0.00 O ATOM 0 H GLY A 4 -12.064 19.669 2.199 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.709 18.974 1.232 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.751 20.634 0.670 1.00 0.00 H new ATOM 39 N SER A 5 -9.177 19.503 3.609 1.00 0.00 N ATOM 40 CA SER A 5 -8.702 19.835 4.947 1.00 0.00 C ATOM 41 C SER A 5 -7.442 20.691 4.880 1.00 0.00 C ATOM 42 O SER A 5 -6.511 20.384 4.135 1.00 0.00 O ATOM 43 CB SER A 5 -8.423 18.557 5.742 1.00 0.00 C ATOM 44 OG SER A 5 -9.495 17.638 5.624 1.00 0.00 O ATOM 0 H SER A 5 -9.090 18.517 3.362 1.00 0.00 H new ATOM 0 HA SER A 5 -9.481 20.407 5.451 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.503 18.095 5.383 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.267 18.805 6.792 1.00 0.00 H new ATOM 0 HG SER A 5 -9.291 16.830 6.139 1.00 0.00 H new ATOM 50 N SER A 6 -7.419 21.765 5.661 1.00 0.00 N ATOM 51 CA SER A 6 -6.271 22.665 5.690 1.00 0.00 C ATOM 52 C SER A 6 -6.259 23.493 6.971 1.00 0.00 C ATOM 53 O SER A 6 -5.776 24.625 6.985 1.00 0.00 O ATOM 54 CB SER A 6 -6.293 23.590 4.471 1.00 0.00 C ATOM 55 OG SER A 6 -4.983 23.813 3.977 1.00 0.00 O ATOM 0 H SER A 6 -8.182 22.034 6.283 1.00 0.00 H new ATOM 0 HA SER A 6 -5.365 22.059 5.663 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.911 23.150 3.688 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.750 24.542 4.741 1.00 0.00 H new ATOM 0 HG SER A 6 -5.024 24.406 3.198 1.00 0.00 H new ATOM 61 N GLY A 7 -6.794 22.922 8.045 1.00 0.00 N ATOM 62 CA GLY A 7 -6.833 23.623 9.314 1.00 0.00 C ATOM 63 C GLY A 7 -6.524 22.716 10.489 1.00 0.00 C ATOM 64 O GLY A 7 -5.386 22.660 10.956 1.00 0.00 O ATOM 0 H GLY A 7 -7.201 21.987 8.059 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.116 24.443 9.294 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.820 24.066 9.451 1.00 0.00 H new ATOM 68 N LEU A 8 -7.539 22.004 10.968 1.00 0.00 N ATOM 69 CA LEU A 8 -7.372 21.096 12.097 1.00 0.00 C ATOM 70 C LEU A 8 -6.890 21.848 13.334 1.00 0.00 C ATOM 71 O LEU A 8 -6.575 23.036 13.266 1.00 0.00 O ATOM 72 CB LEU A 8 -6.381 19.985 11.744 1.00 0.00 C ATOM 73 CG LEU A 8 -6.627 19.300 10.397 1.00 0.00 C ATOM 74 CD1 LEU A 8 -5.626 19.782 9.359 1.00 0.00 C ATOM 75 CD2 LEU A 8 -6.554 17.787 10.545 1.00 0.00 C ATOM 0 H LEU A 8 -8.486 22.038 10.592 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.342 20.651 12.319 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.375 20.404 11.743 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.411 19.230 12.529 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.628 19.565 10.057 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.818 19.283 8.409 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.726 20.860 9.230 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.615 19.549 9.693 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.731 17.318 9.577 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.567 17.504 10.910 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.312 17.454 11.254 1.00 0.00 H new ATOM 87 N GLN A 9 -6.834 21.148 14.462 1.00 0.00 N ATOM 88 CA GLN A 9 -6.391 21.749 15.713 1.00 0.00 C ATOM 89 C GLN A 9 -5.598 20.746 16.547 1.00 0.00 C ATOM 90 O GLN A 9 -6.088 20.235 17.554 1.00 0.00 O ATOM 91 CB GLN A 9 -7.591 22.260 16.512 1.00 0.00 C ATOM 92 CG GLN A 9 -8.107 23.609 16.039 1.00 0.00 C ATOM 93 CD GLN A 9 -9.610 23.741 16.184 1.00 0.00 C ATOM 94 OE1 GLN A 9 -10.212 23.158 17.086 1.00 0.00 O ATOM 95 NE2 GLN A 9 -10.225 24.510 15.292 1.00 0.00 N ATOM 0 H GLN A 9 -7.090 20.163 14.535 1.00 0.00 H new ATOM 0 HA GLN A 9 -5.740 22.590 15.473 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -8.397 21.529 16.448 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -7.312 22.335 17.563 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -7.620 24.400 16.609 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -7.832 23.753 14.994 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -9.686 24.974 14.561 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -11.236 24.636 15.338 1.00 0.00 H new ATOM 104 N GLN A 10 -4.370 20.469 16.119 1.00 0.00 N ATOM 105 CA GLN A 10 -3.510 19.527 16.825 1.00 0.00 C ATOM 106 C GLN A 10 -2.109 19.511 16.221 1.00 0.00 C ATOM 107 O GLN A 10 -1.784 20.328 15.359 1.00 0.00 O ATOM 108 CB GLN A 10 -4.115 18.122 16.782 1.00 0.00 C ATOM 109 CG GLN A 10 -4.759 17.696 18.091 1.00 0.00 C ATOM 110 CD GLN A 10 -4.447 16.257 18.455 1.00 0.00 C ATOM 111 OE1 GLN A 10 -4.820 15.329 17.736 1.00 0.00 O ATOM 112 NE2 GLN A 10 -3.760 16.064 19.575 1.00 0.00 N ATOM 0 H GLN A 10 -3.949 20.883 15.287 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.433 19.850 17.863 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -4.862 18.081 15.989 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -3.334 17.407 16.521 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -4.415 18.352 18.891 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -5.839 17.822 18.018 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.471 16.862 20.140 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.521 15.117 19.870 1.00 0.00 H new ATOM 121 N GLN A 11 -1.283 18.576 16.680 1.00 0.00 N ATOM 122 CA GLN A 11 0.083 18.453 16.185 1.00 0.00 C ATOM 123 C GLN A 11 0.109 17.770 14.821 1.00 0.00 C ATOM 124 O GLN A 11 -0.935 17.411 14.276 1.00 0.00 O ATOM 125 CB GLN A 11 0.938 17.665 17.179 1.00 0.00 C ATOM 126 CG GLN A 11 1.141 18.376 18.506 1.00 0.00 C ATOM 127 CD GLN A 11 2.473 18.044 19.148 1.00 0.00 C ATOM 128 OE1 GLN A 11 2.531 17.341 20.157 1.00 0.00 O ATOM 129 NE2 GLN A 11 3.554 18.549 18.565 1.00 0.00 N ATOM 0 H GLN A 11 -1.536 17.893 17.394 1.00 0.00 H new ATOM 0 HA GLN A 11 0.495 19.456 16.076 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.469 16.699 17.363 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.911 17.466 16.730 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.075 19.453 18.351 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.335 18.102 19.187 1.00 0.00 H new ATOM 0 HE21 GLN A 11 3.460 19.127 17.730 1.00 0.00 H new ATOM 0 HE22 GLN A 11 4.478 18.359 18.952 1.00 0.00 H new ATOM 138 N GLU A 12 1.308 17.595 14.276 1.00 0.00 N ATOM 139 CA GLU A 12 1.470 16.956 12.975 1.00 0.00 C ATOM 140 C GLU A 12 2.234 15.641 13.107 1.00 0.00 C ATOM 141 O GLU A 12 3.312 15.595 13.699 1.00 0.00 O ATOM 142 CB GLU A 12 2.201 17.894 12.010 1.00 0.00 C ATOM 143 CG GLU A 12 1.416 18.195 10.744 1.00 0.00 C ATOM 144 CD GLU A 12 2.292 18.732 9.628 1.00 0.00 C ATOM 145 OE1 GLU A 12 3.462 18.306 9.537 1.00 0.00 O ATOM 146 OE2 GLU A 12 1.808 19.579 8.849 1.00 0.00 O ATOM 0 H GLU A 12 2.182 17.886 14.715 1.00 0.00 H new ATOM 0 HA GLU A 12 0.479 16.740 12.577 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.421 18.830 12.523 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.157 17.448 11.737 1.00 0.00 H new ATOM 0 HG2 GLU A 12 0.918 17.286 10.405 1.00 0.00 H new ATOM 0 HG3 GLU A 12 0.635 18.921 10.969 1.00 0.00 H new ATOM 153 N GLU A 13 1.667 14.575 12.553 1.00 0.00 N ATOM 154 CA GLU A 13 2.294 13.260 12.610 1.00 0.00 C ATOM 155 C GLU A 13 1.823 12.382 11.454 1.00 0.00 C ATOM 156 O GLU A 13 1.730 11.162 11.586 1.00 0.00 O ATOM 157 CB GLU A 13 1.982 12.580 13.943 1.00 0.00 C ATOM 158 CG GLU A 13 0.497 12.356 14.180 1.00 0.00 C ATOM 159 CD GLU A 13 0.223 11.172 15.086 1.00 0.00 C ATOM 160 OE1 GLU A 13 0.462 11.291 16.306 1.00 0.00 O ATOM 161 OE2 GLU A 13 -0.232 10.128 14.576 1.00 0.00 O ATOM 0 H GLU A 13 0.775 14.596 12.060 1.00 0.00 H new ATOM 0 HA GLU A 13 3.372 13.395 12.524 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.496 11.620 13.980 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.383 13.188 14.754 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.064 13.254 14.621 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.000 12.199 13.223 1.00 0.00 H new ATOM 168 N GLU A 14 1.526 13.012 10.322 1.00 0.00 N ATOM 169 CA GLU A 14 1.064 12.288 9.144 1.00 0.00 C ATOM 170 C GLU A 14 1.014 13.206 7.926 1.00 0.00 C ATOM 171 O GLU A 14 -0.048 13.708 7.557 1.00 0.00 O ATOM 172 CB GLU A 14 -0.318 11.685 9.400 1.00 0.00 C ATOM 173 CG GLU A 14 -0.533 10.345 8.715 1.00 0.00 C ATOM 174 CD GLU A 14 -1.942 9.816 8.900 1.00 0.00 C ATOM 175 OE1 GLU A 14 -2.360 9.636 10.063 1.00 0.00 O ATOM 176 OE2 GLU A 14 -2.627 9.583 7.882 1.00 0.00 O ATOM 0 H GLU A 14 1.597 14.022 10.196 1.00 0.00 H new ATOM 0 HA GLU A 14 1.772 11.484 8.942 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.458 11.561 10.474 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -1.080 12.385 9.058 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.324 10.448 7.650 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.178 9.620 9.111 1.00 0.00 H new ATOM 183 N THR A 15 2.169 13.421 7.307 1.00 0.00 N ATOM 184 CA THR A 15 2.257 14.278 6.130 1.00 0.00 C ATOM 185 C THR A 15 3.025 13.586 5.008 1.00 0.00 C ATOM 186 O THR A 15 3.696 14.237 4.208 1.00 0.00 O ATOM 187 CB THR A 15 2.935 15.602 6.487 1.00 0.00 C ATOM 188 OG1 THR A 15 3.841 15.427 7.563 1.00 0.00 O ATOM 189 CG2 THR A 15 1.958 16.688 6.881 1.00 0.00 C ATOM 0 H THR A 15 3.057 13.014 7.600 1.00 0.00 H new ATOM 0 HA THR A 15 1.244 14.479 5.781 1.00 0.00 H new ATOM 0 HB THR A 15 3.454 15.915 5.581 1.00 0.00 H new ATOM 0 HG1 THR A 15 4.266 16.284 7.776 1.00 0.00 H new ATOM 0 HG21 THR A 15 2.505 17.600 7.122 1.00 0.00 H new ATOM 0 HG22 THR A 15 1.276 16.882 6.053 1.00 0.00 H new ATOM 0 HG23 THR A 15 1.388 16.366 7.753 1.00 0.00 H new ATOM 197 N TYR A 16 2.921 12.262 4.956 1.00 0.00 N ATOM 198 CA TYR A 16 3.605 11.482 3.932 1.00 0.00 C ATOM 199 C TYR A 16 3.113 11.859 2.538 1.00 0.00 C ATOM 200 O TYR A 16 2.157 11.274 2.028 1.00 0.00 O ATOM 201 CB TYR A 16 3.392 9.987 4.173 1.00 0.00 C ATOM 202 CG TYR A 16 3.781 9.534 5.561 1.00 0.00 C ATOM 203 CD1 TYR A 16 2.862 9.555 6.603 1.00 0.00 C ATOM 204 CD2 TYR A 16 5.068 9.086 5.832 1.00 0.00 C ATOM 205 CE1 TYR A 16 3.214 9.143 7.874 1.00 0.00 C ATOM 206 CE2 TYR A 16 5.427 8.672 7.100 1.00 0.00 C ATOM 207 CZ TYR A 16 4.497 8.702 8.117 1.00 0.00 C ATOM 208 OH TYR A 16 4.851 8.291 9.382 1.00 0.00 O ATOM 0 H TYR A 16 2.370 11.707 5.611 1.00 0.00 H new ATOM 0 HA TYR A 16 4.670 11.706 3.993 1.00 0.00 H new ATOM 0 HB2 TYR A 16 2.343 9.746 4.003 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.971 9.424 3.441 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.855 9.899 6.416 1.00 0.00 H new ATOM 0 HD2 TYR A 16 5.800 9.061 5.038 1.00 0.00 H new ATOM 0 HE1 TYR A 16 2.488 9.166 8.673 1.00 0.00 H new ATOM 0 HE2 TYR A 16 6.432 8.326 7.294 1.00 0.00 H new ATOM 0 HH TYR A 16 5.790 8.010 9.384 1.00 0.00 H new ATOM 218 N ALA A 17 3.771 12.838 1.929 1.00 0.00 N ATOM 219 CA ALA A 17 3.401 13.293 0.595 1.00 0.00 C ATOM 220 C ALA A 17 4.367 12.754 -0.454 1.00 0.00 C ATOM 221 O ALA A 17 3.959 12.373 -1.551 1.00 0.00 O ATOM 222 CB ALA A 17 3.361 14.813 0.548 1.00 0.00 C ATOM 0 H ALA A 17 4.564 13.332 2.338 1.00 0.00 H new ATOM 0 HA ALA A 17 2.407 12.908 0.368 1.00 0.00 H new ATOM 0 HB1 ALA A 17 3.083 15.139 -0.454 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.627 15.180 1.265 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.344 15.211 0.799 1.00 0.00 H new ATOM 228 N ASP A 18 5.650 12.725 -0.109 1.00 0.00 N ATOM 229 CA ASP A 18 6.676 12.232 -1.020 1.00 0.00 C ATOM 230 C ASP A 18 6.439 10.764 -1.365 1.00 0.00 C ATOM 231 O ASP A 18 6.838 10.296 -2.431 1.00 0.00 O ATOM 232 CB ASP A 18 8.064 12.409 -0.402 1.00 0.00 C ATOM 233 CG ASP A 18 9.053 13.028 -1.369 1.00 0.00 C ATOM 234 OD1 ASP A 18 8.995 12.695 -2.571 1.00 0.00 O ATOM 235 OD2 ASP A 18 9.886 13.846 -0.924 1.00 0.00 O ATOM 0 H ASP A 18 6.004 13.037 0.795 1.00 0.00 H new ATOM 0 HA ASP A 18 6.621 12.814 -1.940 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.986 13.037 0.485 1.00 0.00 H new ATOM 0 HB3 ASP A 18 8.439 11.439 -0.074 1.00 0.00 H new ATOM 240 N ALA A 19 5.792 10.042 -0.455 1.00 0.00 N ATOM 241 CA ALA A 19 5.504 8.627 -0.665 1.00 0.00 C ATOM 242 C ALA A 19 4.725 8.409 -1.958 1.00 0.00 C ATOM 243 O ALA A 19 3.859 9.208 -2.315 1.00 0.00 O ATOM 244 CB ALA A 19 4.732 8.065 0.519 1.00 0.00 C ATOM 0 H ALA A 19 5.457 10.413 0.434 1.00 0.00 H new ATOM 0 HA ALA A 19 6.453 8.098 -0.751 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.524 7.009 0.349 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.326 8.177 1.426 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.793 8.607 0.631 1.00 0.00 H new ATOM 250 N CYS A 20 5.038 7.322 -2.655 1.00 0.00 N ATOM 251 CA CYS A 20 4.368 7.000 -3.909 1.00 0.00 C ATOM 252 C CYS A 20 2.995 6.386 -3.652 1.00 0.00 C ATOM 253 O CYS A 20 2.533 6.330 -2.512 1.00 0.00 O ATOM 254 CB CYS A 20 5.223 6.038 -4.736 1.00 0.00 C ATOM 255 SG CYS A 20 5.254 6.413 -6.505 1.00 0.00 S ATOM 0 H CYS A 20 5.751 6.650 -2.373 1.00 0.00 H new ATOM 0 HA CYS A 20 4.232 7.926 -4.467 1.00 0.00 H new ATOM 0 HB2 CYS A 20 6.244 6.056 -4.354 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.848 5.024 -4.597 1.00 0.00 H new ATOM 0 HG CYS A 20 6.004 5.547 -7.119 1.00 0.00 H new ATOM 261 N ASP A 21 2.348 5.928 -4.718 1.00 0.00 N ATOM 262 CA ASP A 21 1.027 5.318 -4.609 1.00 0.00 C ATOM 263 C ASP A 21 1.130 3.873 -4.129 1.00 0.00 C ATOM 264 O ASP A 21 0.201 3.345 -3.517 1.00 0.00 O ATOM 265 CB ASP A 21 0.306 5.372 -5.958 1.00 0.00 C ATOM 266 CG ASP A 21 -0.827 6.381 -5.967 1.00 0.00 C ATOM 267 OD1 ASP A 21 -0.639 7.489 -5.420 1.00 0.00 O ATOM 268 OD2 ASP A 21 -1.900 6.064 -6.520 1.00 0.00 O ATOM 0 H ASP A 21 2.717 5.967 -5.668 1.00 0.00 H new ATOM 0 HA ASP A 21 0.453 5.883 -3.875 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.022 5.626 -6.740 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.089 4.384 -6.196 1.00 0.00 H new ATOM 273 N GLU A 22 2.263 3.236 -4.410 1.00 0.00 N ATOM 274 CA GLU A 22 2.483 1.851 -4.007 1.00 0.00 C ATOM 275 C GLU A 22 2.299 1.682 -2.502 1.00 0.00 C ATOM 276 O GLU A 22 1.895 0.619 -2.032 1.00 0.00 O ATOM 277 CB GLU A 22 3.887 1.397 -4.414 1.00 0.00 C ATOM 278 CG GLU A 22 3.976 -0.088 -4.728 1.00 0.00 C ATOM 279 CD GLU A 22 5.368 -0.509 -5.159 1.00 0.00 C ATOM 280 OE1 GLU A 22 6.011 0.249 -5.914 1.00 0.00 O ATOM 281 OE2 GLU A 22 5.815 -1.597 -4.739 1.00 0.00 O ATOM 0 H GLU A 22 3.043 3.657 -4.915 1.00 0.00 H new ATOM 0 HA GLU A 22 1.744 1.231 -4.515 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.205 1.965 -5.288 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.584 1.633 -3.610 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.683 -0.660 -3.848 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.265 -0.332 -5.518 1.00 0.00 H new ATOM 288 N PHE A 23 2.599 2.737 -1.752 1.00 0.00 N ATOM 289 CA PHE A 23 2.465 2.704 -0.300 1.00 0.00 C ATOM 290 C PHE A 23 1.144 3.329 0.138 1.00 0.00 C ATOM 291 O PHE A 23 0.564 2.934 1.148 1.00 0.00 O ATOM 292 CB PHE A 23 3.635 3.439 0.358 1.00 0.00 C ATOM 293 CG PHE A 23 4.979 2.867 0.007 1.00 0.00 C ATOM 294 CD1 PHE A 23 5.186 1.497 0.011 1.00 0.00 C ATOM 295 CD2 PHE A 23 6.034 3.701 -0.328 1.00 0.00 C ATOM 296 CE1 PHE A 23 6.422 0.969 -0.312 1.00 0.00 C ATOM 297 CE2 PHE A 23 7.272 3.179 -0.651 1.00 0.00 C ATOM 298 CZ PHE A 23 7.466 1.811 -0.644 1.00 0.00 C ATOM 0 H PHE A 23 2.936 3.625 -2.125 1.00 0.00 H new ATOM 0 HA PHE A 23 2.476 1.662 0.018 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.607 4.488 0.062 1.00 0.00 H new ATOM 0 HB3 PHE A 23 3.509 3.410 1.440 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.373 0.835 0.269 1.00 0.00 H new ATOM 0 HD2 PHE A 23 5.887 4.771 -0.337 1.00 0.00 H new ATOM 0 HE1 PHE A 23 6.571 -0.101 -0.305 1.00 0.00 H new ATOM 0 HE2 PHE A 23 8.087 3.839 -0.909 1.00 0.00 H new ATOM 0 HZ PHE A 23 8.432 1.400 -0.898 1.00 0.00 H new ATOM 308 N LEU A 24 0.677 4.309 -0.630 1.00 0.00 N ATOM 309 CA LEU A 24 -0.576 4.990 -0.321 1.00 0.00 C ATOM 310 C LEU A 24 -1.769 4.069 -0.552 1.00 0.00 C ATOM 311 O LEU A 24 -1.723 3.178 -1.400 1.00 0.00 O ATOM 312 CB LEU A 24 -0.718 6.251 -1.176 1.00 0.00 C ATOM 313 CG LEU A 24 0.309 7.348 -0.891 1.00 0.00 C ATOM 314 CD1 LEU A 24 0.481 8.247 -2.105 1.00 0.00 C ATOM 315 CD2 LEU A 24 -0.108 8.164 0.324 1.00 0.00 C ATOM 0 H LEU A 24 1.146 4.649 -1.469 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.557 5.272 0.732 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.643 5.969 -2.226 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.716 6.662 -1.026 1.00 0.00 H new ATOM 0 HG LEU A 24 1.268 6.876 -0.676 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.215 9.021 -1.883 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.824 7.653 -2.952 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.473 8.712 -2.351 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.634 8.940 0.513 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.077 8.626 0.137 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.179 7.511 1.194 1.00 0.00 H new ATOM 327 N ASP A 25 -2.837 4.290 0.207 1.00 0.00 N ATOM 328 CA ASP A 25 -4.044 3.482 0.086 1.00 0.00 C ATOM 329 C ASP A 25 -4.848 3.893 -1.146 1.00 0.00 C ATOM 330 O ASP A 25 -4.936 5.078 -1.470 1.00 0.00 O ATOM 331 CB ASP A 25 -4.905 3.625 1.344 1.00 0.00 C ATOM 332 CG ASP A 25 -5.546 2.314 1.757 1.00 0.00 C ATOM 333 OD1 ASP A 25 -4.820 1.429 2.258 1.00 0.00 O ATOM 334 OD2 ASP A 25 -6.776 2.174 1.582 1.00 0.00 O ATOM 0 H ASP A 25 -2.891 5.024 0.914 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.748 2.439 -0.026 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.289 3.999 2.162 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -5.683 4.367 1.166 1.00 0.00 H new ATOM 339 N PRO A 26 -5.448 2.920 -1.853 1.00 0.00 N ATOM 340 CA PRO A 26 -6.246 3.196 -3.053 1.00 0.00 C ATOM 341 C PRO A 26 -7.550 3.918 -2.731 1.00 0.00 C ATOM 342 O PRO A 26 -8.099 4.632 -3.570 1.00 0.00 O ATOM 343 CB PRO A 26 -6.533 1.804 -3.620 1.00 0.00 C ATOM 344 CG PRO A 26 -6.447 0.891 -2.447 1.00 0.00 C ATOM 345 CD PRO A 26 -5.399 1.478 -1.542 1.00 0.00 C ATOM 0 HA PRO A 26 -5.721 3.853 -3.746 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -7.519 1.761 -4.083 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -5.808 1.532 -4.387 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -7.408 0.819 -1.937 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -6.175 -0.118 -2.757 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.621 1.285 -0.492 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -4.414 1.057 -1.742 1.00 0.00 H new ATOM 353 N ILE A 27 -8.043 3.725 -1.511 1.00 0.00 N ATOM 354 CA ILE A 27 -9.283 4.358 -1.081 1.00 0.00 C ATOM 355 C ILE A 27 -9.012 5.491 -0.097 1.00 0.00 C ATOM 356 O ILE A 27 -9.478 6.615 -0.284 1.00 0.00 O ATOM 357 CB ILE A 27 -10.234 3.340 -0.422 1.00 0.00 C ATOM 358 CG1 ILE A 27 -10.365 2.091 -1.296 1.00 0.00 C ATOM 359 CG2 ILE A 27 -11.599 3.968 -0.179 1.00 0.00 C ATOM 360 CD1 ILE A 27 -10.976 0.909 -0.574 1.00 0.00 C ATOM 0 H ILE A 27 -7.602 3.136 -0.804 1.00 0.00 H new ATOM 0 HA ILE A 27 -9.756 4.763 -1.976 1.00 0.00 H new ATOM 0 HB ILE A 27 -9.815 3.045 0.540 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -10.975 2.329 -2.167 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -9.378 1.811 -1.665 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -12.259 3.236 0.287 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -11.491 4.830 0.479 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -12.026 4.289 -1.129 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -11.038 0.060 -1.254 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -10.354 0.644 0.281 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -11.976 1.171 -0.229 1.00 0.00 H new ATOM 372 N MET A 28 -8.257 5.187 0.954 1.00 0.00 N ATOM 373 CA MET A 28 -7.924 6.179 1.970 1.00 0.00 C ATOM 374 C MET A 28 -6.972 7.237 1.416 1.00 0.00 C ATOM 375 O MET A 28 -6.960 8.376 1.882 1.00 0.00 O ATOM 376 CB MET A 28 -7.295 5.500 3.188 1.00 0.00 C ATOM 377 CG MET A 28 -8.129 4.357 3.744 1.00 0.00 C ATOM 378 SD MET A 28 -8.710 4.666 5.423 1.00 0.00 S ATOM 379 CE MET A 28 -9.953 5.921 5.125 1.00 0.00 C ATOM 0 H MET A 28 -7.864 4.261 1.124 1.00 0.00 H new ATOM 0 HA MET A 28 -8.848 6.673 2.271 1.00 0.00 H new ATOM 0 HB2 MET A 28 -6.310 5.121 2.914 1.00 0.00 H new ATOM 0 HB3 MET A 28 -7.144 6.243 3.971 1.00 0.00 H new ATOM 0 HG2 MET A 28 -8.987 4.189 3.093 1.00 0.00 H new ATOM 0 HG3 MET A 28 -7.537 3.442 3.732 1.00 0.00 H new ATOM 0 HE1 MET A 28 -10.406 6.217 6.071 1.00 0.00 H new ATOM 0 HE2 MET A 28 -9.489 6.789 4.658 1.00 0.00 H new ATOM 0 HE3 MET A 28 -10.722 5.521 4.464 1.00 0.00 H new ATOM 389 N SER A 29 -6.179 6.854 0.422 1.00 0.00 N ATOM 390 CA SER A 29 -5.225 7.772 -0.191 1.00 0.00 C ATOM 391 C SER A 29 -4.192 8.246 0.829 1.00 0.00 C ATOM 392 O SER A 29 -3.669 9.355 0.728 1.00 0.00 O ATOM 393 CB SER A 29 -5.958 8.974 -0.793 1.00 0.00 C ATOM 394 OG SER A 29 -5.999 8.890 -2.208 1.00 0.00 O ATOM 0 H SER A 29 -6.177 5.915 0.023 1.00 0.00 H new ATOM 0 HA SER A 29 -4.703 7.239 -0.986 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.973 9.020 -0.399 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.458 9.896 -0.495 1.00 0.00 H new ATOM 0 HG SER A 29 -6.474 9.668 -2.568 1.00 0.00 H new ATOM 400 N THR A 30 -3.902 7.395 1.809 1.00 0.00 N ATOM 401 CA THR A 30 -2.930 7.726 2.845 1.00 0.00 C ATOM 402 C THR A 30 -1.880 6.629 2.975 1.00 0.00 C ATOM 403 O THR A 30 -2.014 5.555 2.389 1.00 0.00 O ATOM 404 CB THR A 30 -3.635 7.933 4.187 1.00 0.00 C ATOM 405 OG1 THR A 30 -4.473 6.831 4.488 1.00 0.00 O ATOM 406 CG2 THR A 30 -4.484 9.183 4.232 1.00 0.00 C ATOM 0 H THR A 30 -4.326 6.472 1.907 1.00 0.00 H new ATOM 0 HA THR A 30 -2.430 8.651 2.557 1.00 0.00 H new ATOM 0 HB THR A 30 -2.835 8.033 4.921 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.914 6.981 5.350 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.955 9.268 5.211 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.856 10.056 4.054 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.254 9.128 3.463 1.00 0.00 H new ATOM 414 N LEU A 31 -0.832 6.907 3.745 1.00 0.00 N ATOM 415 CA LEU A 31 0.242 5.943 3.952 1.00 0.00 C ATOM 416 C LEU A 31 -0.295 4.647 4.552 1.00 0.00 C ATOM 417 O LEU A 31 -1.021 4.666 5.546 1.00 0.00 O ATOM 418 CB LEU A 31 1.316 6.536 4.867 1.00 0.00 C ATOM 419 CG LEU A 31 2.607 5.721 4.963 1.00 0.00 C ATOM 420 CD1 LEU A 31 3.570 6.112 3.853 1.00 0.00 C ATOM 421 CD2 LEU A 31 3.256 5.913 6.325 1.00 0.00 C ATOM 0 H LEU A 31 -0.704 7.792 4.236 1.00 0.00 H new ATOM 0 HA LEU A 31 0.684 5.715 2.982 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.562 7.537 4.512 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.899 6.646 5.868 1.00 0.00 H new ATOM 0 HG LEU A 31 2.358 4.666 4.845 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.482 5.522 3.938 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.105 5.924 2.885 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.814 7.171 3.939 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.173 5.326 6.377 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.491 6.967 6.471 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.570 5.583 7.105 1.00 0.00 H new ATOM 433 N MET A 32 0.066 3.523 3.941 1.00 0.00 N ATOM 434 CA MET A 32 -0.381 2.218 4.416 1.00 0.00 C ATOM 435 C MET A 32 0.662 1.587 5.332 1.00 0.00 C ATOM 436 O MET A 32 1.814 1.400 4.943 1.00 0.00 O ATOM 437 CB MET A 32 -0.662 1.290 3.232 1.00 0.00 C ATOM 438 CG MET A 32 -1.833 1.737 2.371 1.00 0.00 C ATOM 439 SD MET A 32 -2.286 0.514 1.126 1.00 0.00 S ATOM 440 CE MET A 32 -0.778 0.438 0.162 1.00 0.00 C ATOM 0 H MET A 32 0.666 3.489 3.117 1.00 0.00 H new ATOM 0 HA MET A 32 -1.300 2.361 4.984 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.231 1.227 2.611 1.00 0.00 H new ATOM 0 HB3 MET A 32 -0.861 0.286 3.607 1.00 0.00 H new ATOM 0 HG2 MET A 32 -2.694 1.936 3.010 1.00 0.00 H new ATOM 0 HG3 MET A 32 -1.579 2.675 1.878 1.00 0.00 H new ATOM 0 HE1 MET A 32 -0.882 -0.317 -0.617 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.590 1.409 -0.296 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.057 0.176 0.812 1.00 0.00 H new ATOM 450 N CYS A 33 0.249 1.259 6.552 1.00 0.00 N ATOM 451 CA CYS A 33 1.146 0.647 7.525 1.00 0.00 C ATOM 452 C CYS A 33 1.054 -0.875 7.464 1.00 0.00 C ATOM 453 O CYS A 33 2.064 -1.572 7.559 1.00 0.00 O ATOM 454 CB CYS A 33 0.815 1.137 8.935 1.00 0.00 C ATOM 455 SG CYS A 33 1.800 2.555 9.473 1.00 0.00 S ATOM 0 H CYS A 33 -0.702 1.407 6.890 1.00 0.00 H new ATOM 0 HA CYS A 33 2.166 0.941 7.279 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.241 1.405 8.977 1.00 0.00 H new ATOM 0 HB3 CYS A 33 0.964 0.317 9.638 1.00 0.00 H new ATOM 0 HG CYS A 33 1.446 2.898 10.676 1.00 0.00 H new ATOM 461 N ASP A 34 -0.164 -1.382 7.306 1.00 0.00 N ATOM 462 CA ASP A 34 -0.389 -2.821 7.233 1.00 0.00 C ATOM 463 C ASP A 34 -1.243 -3.176 6.018 1.00 0.00 C ATOM 464 O ASP A 34 -2.439 -3.439 6.143 1.00 0.00 O ATOM 465 CB ASP A 34 -1.067 -3.318 8.511 1.00 0.00 C ATOM 466 CG ASP A 34 -0.069 -3.679 9.593 1.00 0.00 C ATOM 467 OD1 ASP A 34 1.090 -3.994 9.250 1.00 0.00 O ATOM 468 OD2 ASP A 34 -0.444 -3.645 10.784 1.00 0.00 O ATOM 0 H ASP A 34 -1.010 -0.818 7.226 1.00 0.00 H new ATOM 0 HA ASP A 34 0.579 -3.311 7.130 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -1.741 -2.547 8.885 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.678 -4.190 8.279 1.00 0.00 H new ATOM 473 N PRO A 35 -0.635 -3.187 4.819 1.00 0.00 N ATOM 474 CA PRO A 35 -1.345 -3.512 3.576 1.00 0.00 C ATOM 475 C PRO A 35 -1.726 -4.987 3.494 1.00 0.00 C ATOM 476 O PRO A 35 -0.862 -5.864 3.516 1.00 0.00 O ATOM 477 CB PRO A 35 -0.332 -3.160 2.486 1.00 0.00 C ATOM 478 CG PRO A 35 0.997 -3.295 3.147 1.00 0.00 C ATOM 479 CD PRO A 35 0.789 -2.886 4.579 1.00 0.00 C ATOM 0 HA PRO A 35 -2.287 -2.970 3.492 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -0.420 -3.832 1.632 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.488 -2.148 2.113 1.00 0.00 H new ATOM 0 HG2 PRO A 35 1.363 -4.320 3.083 1.00 0.00 H new ATOM 0 HG3 PRO A 35 1.740 -2.660 2.664 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.437 -3.445 5.254 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.007 -1.829 4.730 1.00 0.00 H new ATOM 487 N VAL A 36 -3.024 -5.252 3.399 1.00 0.00 N ATOM 488 CA VAL A 36 -3.520 -6.621 3.313 1.00 0.00 C ATOM 489 C VAL A 36 -3.976 -6.950 1.896 1.00 0.00 C ATOM 490 O VAL A 36 -4.735 -6.197 1.285 1.00 0.00 O ATOM 491 CB VAL A 36 -4.690 -6.858 4.284 1.00 0.00 C ATOM 492 CG1 VAL A 36 -4.189 -6.927 5.718 1.00 0.00 C ATOM 493 CG2 VAL A 36 -5.742 -5.770 4.131 1.00 0.00 C ATOM 0 H VAL A 36 -3.752 -4.538 3.380 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.693 -7.275 3.588 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.152 -7.814 4.039 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -5.031 -7.095 6.390 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.477 -7.747 5.816 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -3.699 -5.989 5.978 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.561 -5.955 4.826 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.296 -4.799 4.347 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.124 -5.775 3.110 1.00 0.00 H new ATOM 503 N VAL A 37 -3.508 -8.080 1.376 1.00 0.00 N ATOM 504 CA VAL A 37 -3.867 -8.509 0.030 1.00 0.00 C ATOM 505 C VAL A 37 -5.228 -9.195 0.016 1.00 0.00 C ATOM 506 O VAL A 37 -5.473 -10.125 0.783 1.00 0.00 O ATOM 507 CB VAL A 37 -2.815 -9.473 -0.553 1.00 0.00 C ATOM 508 CG1 VAL A 37 -3.086 -9.732 -2.026 1.00 0.00 C ATOM 509 CG2 VAL A 37 -1.413 -8.920 -0.349 1.00 0.00 C ATOM 0 H VAL A 37 -2.879 -8.715 1.867 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.908 -7.611 -0.586 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.886 -10.423 -0.023 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.333 -10.415 -2.420 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.075 -10.176 -2.141 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.045 -8.791 -2.574 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.684 -9.614 -0.767 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.325 -7.956 -0.851 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.224 -8.793 0.717 1.00 0.00 H new ATOM 519 N LEU A 38 -6.110 -8.729 -0.862 1.00 0.00 N ATOM 520 CA LEU A 38 -7.447 -9.298 -0.978 1.00 0.00 C ATOM 521 C LEU A 38 -7.450 -10.480 -1.949 1.00 0.00 C ATOM 522 O LEU A 38 -7.059 -10.337 -3.107 1.00 0.00 O ATOM 523 CB LEU A 38 -8.438 -8.231 -1.449 1.00 0.00 C ATOM 524 CG LEU A 38 -8.338 -6.890 -0.722 1.00 0.00 C ATOM 525 CD1 LEU A 38 -8.826 -5.761 -1.615 1.00 0.00 C ATOM 526 CD2 LEU A 38 -9.133 -6.928 0.575 1.00 0.00 C ATOM 0 H LEU A 38 -5.923 -7.959 -1.504 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.752 -9.657 0.005 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.287 -8.061 -2.515 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.450 -8.618 -1.328 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.291 -6.706 -0.479 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.747 -4.814 -1.080 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.215 -5.720 -2.517 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.866 -5.938 -1.889 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.051 -5.966 1.080 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -10.180 -7.134 0.354 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.738 -7.712 1.221 1.00 0.00 H new ATOM 538 N PRO A 39 -7.889 -11.667 -1.492 1.00 0.00 N ATOM 539 CA PRO A 39 -7.933 -12.866 -2.334 1.00 0.00 C ATOM 540 C PRO A 39 -9.061 -12.828 -3.364 1.00 0.00 C ATOM 541 O PRO A 39 -9.170 -13.719 -4.207 1.00 0.00 O ATOM 542 CB PRO A 39 -8.171 -13.993 -1.328 1.00 0.00 C ATOM 543 CG PRO A 39 -8.901 -13.344 -0.205 1.00 0.00 C ATOM 544 CD PRO A 39 -8.374 -11.936 -0.123 1.00 0.00 C ATOM 0 HA PRO A 39 -7.022 -12.978 -2.922 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -8.757 -14.800 -1.768 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.231 -14.429 -0.991 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -9.976 -13.348 -0.385 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -8.732 -13.878 0.730 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -9.153 -11.233 0.172 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.572 -11.850 0.611 1.00 0.00 H new ATOM 552 N SER A 40 -9.898 -11.797 -3.294 1.00 0.00 N ATOM 553 CA SER A 40 -11.013 -11.658 -4.223 1.00 0.00 C ATOM 554 C SER A 40 -10.709 -10.615 -5.296 1.00 0.00 C ATOM 555 O SER A 40 -10.532 -10.949 -6.467 1.00 0.00 O ATOM 556 CB SER A 40 -12.287 -11.273 -3.468 1.00 0.00 C ATOM 557 OG SER A 40 -13.410 -11.979 -3.968 1.00 0.00 O ATOM 0 H SER A 40 -9.825 -11.048 -2.605 1.00 0.00 H new ATOM 0 HA SER A 40 -11.163 -12.620 -4.713 1.00 0.00 H new ATOM 0 HB2 SER A 40 -12.163 -11.486 -2.406 1.00 0.00 H new ATOM 0 HB3 SER A 40 -12.458 -10.200 -3.560 1.00 0.00 H new ATOM 0 HG SER A 40 -14.060 -12.113 -3.247 1.00 0.00 H new ATOM 563 N SER A 41 -10.657 -9.352 -4.888 1.00 0.00 N ATOM 564 CA SER A 41 -10.382 -8.258 -5.814 1.00 0.00 C ATOM 565 C SER A 41 -8.905 -8.211 -6.201 1.00 0.00 C ATOM 566 O SER A 41 -8.532 -7.544 -7.167 1.00 0.00 O ATOM 567 CB SER A 41 -10.798 -6.923 -5.193 1.00 0.00 C ATOM 568 OG SER A 41 -9.982 -6.601 -4.081 1.00 0.00 O ATOM 0 H SER A 41 -10.802 -9.060 -3.922 1.00 0.00 H new ATOM 0 HA SER A 41 -10.964 -8.435 -6.718 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.727 -6.133 -5.941 1.00 0.00 H new ATOM 0 HB3 SER A 41 -11.841 -6.973 -4.880 1.00 0.00 H new ATOM 0 HG SER A 41 -9.739 -5.652 -4.117 1.00 0.00 H new ATOM 574 N ARG A 42 -8.067 -8.917 -5.447 1.00 0.00 N ATOM 575 CA ARG A 42 -6.633 -8.944 -5.722 1.00 0.00 C ATOM 576 C ARG A 42 -6.035 -7.545 -5.616 1.00 0.00 C ATOM 577 O ARG A 42 -5.071 -7.217 -6.307 1.00 0.00 O ATOM 578 CB ARG A 42 -6.367 -9.522 -7.114 1.00 0.00 C ATOM 579 CG ARG A 42 -6.474 -11.037 -7.174 1.00 0.00 C ATOM 580 CD ARG A 42 -7.711 -11.482 -7.938 1.00 0.00 C ATOM 581 NE ARG A 42 -8.259 -12.730 -7.416 1.00 0.00 N ATOM 582 CZ ARG A 42 -7.651 -13.909 -7.521 1.00 0.00 C ATOM 583 NH1 ARG A 42 -6.474 -14.004 -8.127 1.00 0.00 N ATOM 584 NH2 ARG A 42 -8.219 -14.996 -7.019 1.00 0.00 N ATOM 0 H ARG A 42 -8.354 -9.476 -4.644 1.00 0.00 H new ATOM 0 HA ARG A 42 -6.157 -9.582 -4.977 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.075 -9.088 -7.820 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -5.370 -9.223 -7.438 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.584 -11.446 -7.652 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.506 -11.440 -6.162 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.471 -10.702 -7.883 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.460 -11.609 -8.991 1.00 0.00 H new ATOM 0 HE ARG A 42 -9.162 -12.696 -6.943 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -6.031 -13.171 -8.515 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -6.012 -14.910 -8.205 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.123 -14.929 -6.552 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.752 -15.899 -7.100 1.00 0.00 H new ATOM 598 N VAL A 43 -6.613 -6.725 -4.744 1.00 0.00 N ATOM 599 CA VAL A 43 -6.138 -5.361 -4.545 1.00 0.00 C ATOM 600 C VAL A 43 -5.549 -5.184 -3.149 1.00 0.00 C ATOM 601 O VAL A 43 -6.089 -5.697 -2.169 1.00 0.00 O ATOM 602 CB VAL A 43 -7.270 -4.335 -4.746 1.00 0.00 C ATOM 603 CG1 VAL A 43 -6.727 -2.916 -4.684 1.00 0.00 C ATOM 604 CG2 VAL A 43 -7.989 -4.582 -6.066 1.00 0.00 C ATOM 0 H VAL A 43 -7.412 -6.982 -4.164 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.363 -5.184 -5.290 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.991 -4.457 -3.937 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -7.543 -2.208 -4.828 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.266 -2.745 -3.711 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.983 -2.777 -5.468 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.785 -3.848 -6.190 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.280 -4.491 -6.889 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.417 -5.584 -6.065 1.00 0.00 H new ATOM 614 N THR A 44 -4.440 -4.458 -3.068 1.00 0.00 N ATOM 615 CA THR A 44 -3.778 -4.216 -1.791 1.00 0.00 C ATOM 616 C THR A 44 -4.413 -3.035 -1.064 1.00 0.00 C ATOM 617 O THR A 44 -4.371 -1.901 -1.545 1.00 0.00 O ATOM 618 CB THR A 44 -2.288 -3.953 -2.007 1.00 0.00 C ATOM 619 OG1 THR A 44 -1.850 -4.526 -3.227 1.00 0.00 O ATOM 620 CG2 THR A 44 -1.416 -4.506 -0.901 1.00 0.00 C ATOM 0 H THR A 44 -3.981 -4.027 -3.870 1.00 0.00 H new ATOM 0 HA THR A 44 -3.898 -5.107 -1.174 1.00 0.00 H new ATOM 0 HB THR A 44 -2.185 -2.868 -2.020 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.894 -4.346 -3.349 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.371 -4.285 -1.117 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.696 -4.047 0.047 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.552 -5.585 -0.836 1.00 0.00 H new ATOM 628 N VAL A 45 -5.001 -3.306 0.096 1.00 0.00 N ATOM 629 CA VAL A 45 -5.644 -2.267 0.890 1.00 0.00 C ATOM 630 C VAL A 45 -5.272 -2.394 2.364 1.00 0.00 C ATOM 631 O VAL A 45 -4.944 -3.481 2.839 1.00 0.00 O ATOM 632 CB VAL A 45 -7.178 -2.319 0.751 1.00 0.00 C ATOM 633 CG1 VAL A 45 -7.596 -2.006 -0.677 1.00 0.00 C ATOM 634 CG2 VAL A 45 -7.707 -3.678 1.184 1.00 0.00 C ATOM 0 H VAL A 45 -5.045 -4.238 0.507 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.287 -1.311 0.508 1.00 0.00 H new ATOM 0 HB VAL A 45 -7.610 -1.561 1.405 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -8.682 -2.048 -0.756 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.251 -1.008 -0.947 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.155 -2.738 -1.354 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.792 -3.696 1.079 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.269 -4.455 0.558 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.440 -3.857 2.225 1.00 0.00 H new ATOM 644 N ASP A 46 -5.326 -1.277 3.081 1.00 0.00 N ATOM 645 CA ASP A 46 -4.992 -1.263 4.501 1.00 0.00 C ATOM 646 C ASP A 46 -5.931 -2.171 5.289 1.00 0.00 C ATOM 647 O ASP A 46 -7.123 -2.257 4.992 1.00 0.00 O ATOM 648 CB ASP A 46 -5.060 0.166 5.047 1.00 0.00 C ATOM 649 CG ASP A 46 -3.687 0.731 5.355 1.00 0.00 C ATOM 650 OD1 ASP A 46 -2.776 -0.062 5.673 1.00 0.00 O ATOM 651 OD2 ASP A 46 -3.523 1.967 5.276 1.00 0.00 O ATOM 0 H ASP A 46 -5.598 -0.370 2.703 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.975 -1.639 4.616 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.559 0.807 4.320 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -5.667 0.178 5.952 1.00 0.00 H new ATOM 656 N ARG A 47 -5.386 -2.845 6.297 1.00 0.00 N ATOM 657 CA ARG A 47 -6.173 -3.746 7.131 1.00 0.00 C ATOM 658 C ARG A 47 -7.316 -2.999 7.809 1.00 0.00 C ATOM 659 O ARG A 47 -8.382 -3.565 8.052 1.00 0.00 O ATOM 660 CB ARG A 47 -5.283 -4.406 8.185 1.00 0.00 C ATOM 661 CG ARG A 47 -5.878 -5.675 8.778 1.00 0.00 C ATOM 662 CD ARG A 47 -6.180 -5.513 10.259 1.00 0.00 C ATOM 663 NE ARG A 47 -4.981 -5.659 11.083 1.00 0.00 N ATOM 664 CZ ARG A 47 -4.441 -6.832 11.403 1.00 0.00 C ATOM 665 NH1 ARG A 47 -4.986 -7.962 10.972 1.00 0.00 N ATOM 666 NH2 ARG A 47 -3.350 -6.875 12.156 1.00 0.00 N ATOM 0 H ARG A 47 -4.401 -2.784 6.556 1.00 0.00 H new ATOM 0 HA ARG A 47 -6.598 -4.518 6.489 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.318 -4.642 7.737 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.096 -3.693 8.988 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.794 -5.931 8.245 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.184 -6.504 8.636 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.622 -4.532 10.433 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.920 -6.254 10.561 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.533 -4.812 11.433 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -5.824 -7.935 10.391 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.567 -8.858 11.221 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -2.926 -6.009 12.489 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -2.935 -7.774 12.402 1.00 0.00 H new ATOM 680 N SER A 48 -7.087 -1.726 8.112 1.00 0.00 N ATOM 681 CA SER A 48 -8.097 -0.901 8.762 1.00 0.00 C ATOM 682 C SER A 48 -9.151 -0.440 7.760 1.00 0.00 C ATOM 683 O SER A 48 -10.330 -0.321 8.094 1.00 0.00 O ATOM 684 CB SER A 48 -7.442 0.311 9.430 1.00 0.00 C ATOM 685 OG SER A 48 -7.843 0.426 10.784 1.00 0.00 O ATOM 0 H SER A 48 -6.210 -1.243 7.917 1.00 0.00 H new ATOM 0 HA SER A 48 -8.589 -1.505 9.525 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.357 0.218 9.375 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.712 1.218 8.889 1.00 0.00 H new ATOM 0 HG SER A 48 -7.410 1.206 11.188 1.00 0.00 H new ATOM 691 N THR A 49 -8.718 -0.185 6.529 1.00 0.00 N ATOM 692 CA THR A 49 -9.624 0.262 5.477 1.00 0.00 C ATOM 693 C THR A 49 -10.625 -0.830 5.121 1.00 0.00 C ATOM 694 O THR A 49 -11.802 -0.556 4.887 1.00 0.00 O ATOM 695 CB THR A 49 -8.833 0.670 4.234 1.00 0.00 C ATOM 696 OG1 THR A 49 -7.675 1.402 4.594 1.00 0.00 O ATOM 697 CG2 THR A 49 -9.631 1.518 3.268 1.00 0.00 C ATOM 0 H THR A 49 -7.746 -0.280 6.236 1.00 0.00 H new ATOM 0 HA THR A 49 -10.174 1.126 5.849 1.00 0.00 H new ATOM 0 HB THR A 49 -8.571 -0.265 3.739 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.886 2.003 5.339 1.00 0.00 H new ATOM 0 HG21 THR A 49 -9.010 1.772 2.409 1.00 0.00 H new ATOM 0 HG22 THR A 49 -10.506 0.961 2.932 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.953 2.432 3.767 1.00 0.00 H new ATOM 705 N ILE A 50 -10.148 -2.068 5.083 1.00 0.00 N ATOM 706 CA ILE A 50 -10.998 -3.205 4.757 1.00 0.00 C ATOM 707 C ILE A 50 -11.929 -3.544 5.918 1.00 0.00 C ATOM 708 O ILE A 50 -13.090 -3.897 5.713 1.00 0.00 O ATOM 709 CB ILE A 50 -10.160 -4.449 4.397 1.00 0.00 C ATOM 710 CG1 ILE A 50 -11.070 -5.599 3.958 1.00 0.00 C ATOM 711 CG2 ILE A 50 -9.297 -4.870 5.576 1.00 0.00 C ATOM 712 CD1 ILE A 50 -11.801 -5.330 2.660 1.00 0.00 C ATOM 0 H ILE A 50 -9.176 -2.310 5.274 1.00 0.00 H new ATOM 0 HA ILE A 50 -11.594 -2.919 3.891 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.503 -4.194 3.565 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.472 -6.503 3.848 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.800 -5.794 4.743 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -8.713 -5.749 5.304 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.624 -4.055 5.843 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -9.935 -5.108 6.427 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -12.427 -6.187 2.410 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -12.426 -4.444 2.771 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -11.077 -5.165 1.862 1.00 0.00 H new ATOM 724 N ALA A 51 -11.409 -3.433 7.136 1.00 0.00 N ATOM 725 CA ALA A 51 -12.194 -3.727 8.331 1.00 0.00 C ATOM 726 C ALA A 51 -13.460 -2.880 8.379 1.00 0.00 C ATOM 727 O ALA A 51 -14.540 -3.377 8.703 1.00 0.00 O ATOM 728 CB ALA A 51 -11.355 -3.499 9.580 1.00 0.00 C ATOM 0 H ALA A 51 -10.449 -3.142 7.322 1.00 0.00 H new ATOM 0 HA ALA A 51 -12.492 -4.775 8.292 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -11.952 -3.722 10.465 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -10.483 -4.152 9.557 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -11.029 -2.460 9.614 1.00 0.00 H new ATOM 734 N ARG A 52 -13.323 -1.600 8.052 1.00 0.00 N ATOM 735 CA ARG A 52 -14.457 -0.684 8.055 1.00 0.00 C ATOM 736 C ARG A 52 -15.495 -1.107 7.020 1.00 0.00 C ATOM 737 O ARG A 52 -16.698 -1.015 7.259 1.00 0.00 O ATOM 738 CB ARG A 52 -13.989 0.744 7.771 1.00 0.00 C ATOM 739 CG ARG A 52 -14.914 1.812 8.331 1.00 0.00 C ATOM 740 CD ARG A 52 -14.410 3.208 8.011 1.00 0.00 C ATOM 741 NE ARG A 52 -15.076 4.229 8.817 1.00 0.00 N ATOM 742 CZ ARG A 52 -14.602 5.462 8.991 1.00 0.00 C ATOM 743 NH1 ARG A 52 -13.462 5.829 8.418 1.00 0.00 N ATOM 744 NH2 ARG A 52 -15.270 6.329 9.739 1.00 0.00 N ATOM 0 H ARG A 52 -12.437 -1.173 7.781 1.00 0.00 H new ATOM 0 HA ARG A 52 -14.917 -0.716 9.043 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -12.993 0.881 8.192 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -13.901 0.881 6.693 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -15.914 1.682 7.918 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -14.997 1.693 9.411 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -13.335 3.254 8.184 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -14.572 3.418 6.954 1.00 0.00 H new ATOM 0 HE ARG A 52 -15.955 3.983 9.273 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -12.944 5.166 7.841 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -13.104 6.774 8.555 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -16.147 6.052 10.181 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -14.907 7.273 9.872 1.00 0.00 H new ATOM 758 N HIS A 53 -15.018 -1.572 5.870 1.00 0.00 N ATOM 759 CA HIS A 53 -15.901 -2.011 4.796 1.00 0.00 C ATOM 760 C HIS A 53 -16.551 -3.351 5.135 1.00 0.00 C ATOM 761 O HIS A 53 -17.603 -3.695 4.596 1.00 0.00 O ATOM 762 CB HIS A 53 -15.124 -2.129 3.484 1.00 0.00 C ATOM 763 CG HIS A 53 -16.002 -2.212 2.275 1.00 0.00 C ATOM 764 ND1 HIS A 53 -16.913 -1.243 1.919 1.00 0.00 N ATOM 765 CD2 HIS A 53 -16.096 -3.180 1.327 1.00 0.00 C ATOM 766 CE1 HIS A 53 -17.520 -1.643 0.792 1.00 0.00 C ATOM 767 NE2 HIS A 53 -17.058 -2.811 0.391 1.00 0.00 N ATOM 0 H HIS A 53 -14.024 -1.655 5.658 1.00 0.00 H new ATOM 0 HA HIS A 53 -16.687 -1.265 4.681 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -14.462 -1.269 3.384 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -14.491 -3.015 3.525 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -17.094 -0.375 2.423 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -15.517 -4.091 1.303 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -18.287 -1.082 0.280 1.00 0.00 H new ATOM 775 N LEU A 54 -15.919 -4.104 6.032 1.00 0.00 N ATOM 776 CA LEU A 54 -16.438 -5.404 6.440 1.00 0.00 C ATOM 777 C LEU A 54 -17.261 -5.289 7.720 1.00 0.00 C ATOM 778 O LEU A 54 -17.252 -6.190 8.558 1.00 0.00 O ATOM 779 CB LEU A 54 -15.288 -6.392 6.649 1.00 0.00 C ATOM 780 CG LEU A 54 -14.472 -6.712 5.395 1.00 0.00 C ATOM 781 CD1 LEU A 54 -13.364 -7.702 5.717 1.00 0.00 C ATOM 782 CD2 LEU A 54 -15.374 -7.255 4.297 1.00 0.00 C ATOM 0 H LEU A 54 -15.048 -3.835 6.489 1.00 0.00 H new ATOM 0 HA LEU A 54 -17.087 -5.771 5.645 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -14.617 -5.989 7.408 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -15.696 -7.322 7.045 1.00 0.00 H new ATOM 0 HG LEU A 54 -14.013 -5.790 5.038 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -12.795 -7.917 4.813 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -12.702 -7.275 6.470 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -13.800 -8.625 6.099 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -14.777 -7.477 3.412 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -15.862 -8.166 4.644 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -16.131 -6.511 4.047 1.00 0.00 H new ATOM 794 N LEU A 55 -17.973 -4.175 7.864 1.00 0.00 N ATOM 795 CA LEU A 55 -18.800 -3.945 9.042 1.00 0.00 C ATOM 796 C LEU A 55 -20.271 -4.210 8.733 1.00 0.00 C ATOM 797 O LEU A 55 -20.932 -4.984 9.425 1.00 0.00 O ATOM 798 CB LEU A 55 -18.624 -2.511 9.544 1.00 0.00 C ATOM 799 CG LEU A 55 -17.219 -2.167 10.041 1.00 0.00 C ATOM 800 CD1 LEU A 55 -17.084 -0.669 10.266 1.00 0.00 C ATOM 801 CD2 LEU A 55 -16.907 -2.929 11.320 1.00 0.00 C ATOM 0 H LEU A 55 -17.993 -3.419 7.180 1.00 0.00 H new ATOM 0 HA LEU A 55 -18.479 -4.637 9.821 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -18.886 -1.825 8.738 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -19.332 -2.336 10.354 1.00 0.00 H new ATOM 0 HG LEU A 55 -16.500 -2.465 9.277 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -16.078 -0.443 10.619 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -17.266 -0.142 9.329 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -17.811 -0.346 11.011 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -15.904 -2.673 11.660 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -17.631 -2.660 12.089 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -16.963 -4.000 11.128 1.00 0.00 H new ATOM 813 N SER A 56 -20.775 -3.563 7.688 1.00 0.00 N ATOM 814 CA SER A 56 -22.167 -3.729 7.284 1.00 0.00 C ATOM 815 C SER A 56 -22.288 -4.756 6.164 1.00 0.00 C ATOM 816 O SER A 56 -23.286 -5.471 6.067 1.00 0.00 O ATOM 817 CB SER A 56 -22.752 -2.391 6.830 1.00 0.00 C ATOM 818 OG SER A 56 -22.707 -1.433 7.874 1.00 0.00 O ATOM 0 H SER A 56 -20.241 -2.919 7.105 1.00 0.00 H new ATOM 0 HA SER A 56 -22.729 -4.089 8.146 1.00 0.00 H new ATOM 0 HB2 SER A 56 -22.196 -2.021 5.969 1.00 0.00 H new ATOM 0 HB3 SER A 56 -23.783 -2.533 6.507 1.00 0.00 H new ATOM 0 HG SER A 56 -23.085 -0.586 7.557 1.00 0.00 H new ATOM 824 N ASP A 57 -21.264 -4.823 5.318 1.00 0.00 N ATOM 825 CA ASP A 57 -21.254 -5.763 4.203 1.00 0.00 C ATOM 826 C ASP A 57 -19.908 -6.473 4.106 1.00 0.00 C ATOM 827 O ASP A 57 -18.943 -5.928 3.571 1.00 0.00 O ATOM 828 CB ASP A 57 -21.555 -5.034 2.892 1.00 0.00 C ATOM 829 CG ASP A 57 -23.017 -4.651 2.766 1.00 0.00 C ATOM 830 OD1 ASP A 57 -23.681 -4.491 3.813 1.00 0.00 O ATOM 831 OD2 ASP A 57 -23.497 -4.511 1.622 1.00 0.00 O ATOM 0 H ASP A 57 -20.431 -4.238 5.384 1.00 0.00 H new ATOM 0 HA ASP A 57 -22.028 -6.510 4.381 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -20.940 -4.136 2.829 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -21.275 -5.671 2.053 1.00 0.00 H new ATOM 836 N GLN A 58 -19.850 -7.695 4.628 1.00 0.00 N ATOM 837 CA GLN A 58 -18.623 -8.481 4.601 1.00 0.00 C ATOM 838 C GLN A 58 -18.254 -8.868 3.172 1.00 0.00 C ATOM 839 O GLN A 58 -18.444 -10.011 2.759 1.00 0.00 O ATOM 840 CB GLN A 58 -18.778 -9.738 5.460 1.00 0.00 C ATOM 841 CG GLN A 58 -18.342 -9.546 6.903 1.00 0.00 C ATOM 842 CD GLN A 58 -19.336 -10.116 7.896 1.00 0.00 C ATOM 843 OE1 GLN A 58 -19.645 -11.308 7.868 1.00 0.00 O ATOM 844 NE2 GLN A 58 -19.845 -9.265 8.779 1.00 0.00 N ATOM 0 H GLN A 58 -20.639 -8.161 5.075 1.00 0.00 H new ATOM 0 HA GLN A 58 -17.820 -7.868 5.009 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -19.821 -10.053 5.443 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -18.194 -10.545 5.017 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -17.373 -10.022 7.052 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -18.208 -8.482 7.099 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -19.561 -8.286 8.766 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -20.520 -9.591 9.470 1.00 0.00 H new ATOM 853 N THR A 59 -17.726 -7.906 2.423 1.00 0.00 N ATOM 854 CA THR A 59 -17.329 -8.144 1.039 1.00 0.00 C ATOM 855 C THR A 59 -16.245 -7.162 0.608 1.00 0.00 C ATOM 856 O THR A 59 -15.815 -6.314 1.390 1.00 0.00 O ATOM 857 CB THR A 59 -18.540 -8.023 0.111 1.00 0.00 C ATOM 858 OG1 THR A 59 -19.268 -6.840 0.388 1.00 0.00 O ATOM 859 CG2 THR A 59 -19.498 -9.189 0.223 1.00 0.00 C ATOM 0 H THR A 59 -17.563 -6.954 2.751 1.00 0.00 H new ATOM 0 HA THR A 59 -16.927 -9.155 0.971 1.00 0.00 H new ATOM 0 HB THR A 59 -18.130 -8.006 -0.899 1.00 0.00 H new ATOM 0 HG1 THR A 59 -20.037 -6.780 -0.216 1.00 0.00 H new ATOM 0 HG21 THR A 59 -20.334 -9.040 -0.461 1.00 0.00 H new ATOM 0 HG22 THR A 59 -18.979 -10.112 -0.034 1.00 0.00 H new ATOM 0 HG23 THR A 59 -19.873 -9.255 1.244 1.00 0.00 H new ATOM 867 N ASP A 60 -15.807 -7.282 -0.640 1.00 0.00 N ATOM 868 CA ASP A 60 -14.772 -6.404 -1.174 1.00 0.00 C ATOM 869 C ASP A 60 -15.388 -5.131 -1.754 1.00 0.00 C ATOM 870 O ASP A 60 -16.461 -5.170 -2.356 1.00 0.00 O ATOM 871 CB ASP A 60 -13.962 -7.132 -2.251 1.00 0.00 C ATOM 872 CG ASP A 60 -12.550 -7.446 -1.797 1.00 0.00 C ATOM 873 OD1 ASP A 60 -12.016 -6.697 -0.953 1.00 0.00 O ATOM 874 OD2 ASP A 60 -11.977 -8.442 -2.287 1.00 0.00 O ATOM 0 H ASP A 60 -16.152 -7.978 -1.301 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.106 -6.125 -0.357 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -14.469 -8.059 -2.519 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.924 -6.518 -3.151 1.00 0.00 H new ATOM 879 N PRO A 61 -14.715 -3.980 -1.578 1.00 0.00 N ATOM 880 CA PRO A 61 -15.206 -2.696 -2.088 1.00 0.00 C ATOM 881 C PRO A 61 -15.067 -2.574 -3.603 1.00 0.00 C ATOM 882 O PRO A 61 -15.583 -1.632 -4.206 1.00 0.00 O ATOM 883 CB PRO A 61 -14.309 -1.676 -1.386 1.00 0.00 C ATOM 884 CG PRO A 61 -13.039 -2.408 -1.125 1.00 0.00 C ATOM 885 CD PRO A 61 -13.427 -3.840 -0.871 1.00 0.00 C ATOM 0 HA PRO A 61 -16.270 -2.561 -1.893 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -14.140 -0.800 -2.012 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -14.761 -1.323 -0.459 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -12.364 -2.333 -1.977 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -12.516 -1.988 -0.266 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.680 -4.533 -1.258 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -13.530 -4.045 0.195 1.00 0.00 H new ATOM 893 N PHE A 62 -14.368 -3.526 -4.216 1.00 0.00 N ATOM 894 CA PHE A 62 -14.166 -3.513 -5.661 1.00 0.00 C ATOM 895 C PHE A 62 -14.868 -4.693 -6.327 1.00 0.00 C ATOM 896 O PHE A 62 -15.653 -4.515 -7.259 1.00 0.00 O ATOM 897 CB PHE A 62 -12.671 -3.548 -5.989 1.00 0.00 C ATOM 898 CG PHE A 62 -11.845 -2.627 -5.137 1.00 0.00 C ATOM 899 CD1 PHE A 62 -11.859 -1.260 -5.357 1.00 0.00 C ATOM 900 CD2 PHE A 62 -11.054 -3.131 -4.117 1.00 0.00 C ATOM 901 CE1 PHE A 62 -11.098 -0.411 -4.574 1.00 0.00 C ATOM 902 CE2 PHE A 62 -10.292 -2.288 -3.331 1.00 0.00 C ATOM 903 CZ PHE A 62 -10.315 -0.926 -3.560 1.00 0.00 C ATOM 0 H PHE A 62 -13.933 -4.314 -3.736 1.00 0.00 H new ATOM 0 HA PHE A 62 -14.599 -2.591 -6.050 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -12.305 -4.567 -5.867 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -12.531 -3.282 -7.037 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -12.471 -0.852 -6.148 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -11.033 -4.195 -3.934 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -11.116 0.653 -4.756 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -9.680 -2.693 -2.539 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.721 -0.265 -2.947 1.00 0.00 H new ATOM 913 N ASN A 63 -14.577 -5.897 -5.847 1.00 0.00 N ATOM 914 CA ASN A 63 -15.177 -7.108 -6.399 1.00 0.00 C ATOM 915 C ASN A 63 -16.590 -7.318 -5.860 1.00 0.00 C ATOM 916 O ASN A 63 -17.437 -7.910 -6.529 1.00 0.00 O ATOM 917 CB ASN A 63 -14.305 -8.324 -6.077 1.00 0.00 C ATOM 918 CG ASN A 63 -13.790 -9.013 -7.325 1.00 0.00 C ATOM 919 OD1 ASN A 63 -12.895 -8.344 -8.043 1.00 0.00 O flip ATOM 920 ND2 ASN A 63 -14.191 -10.133 -7.641 1.00 0.00 N flip ATOM 0 H ASN A 63 -13.929 -6.061 -5.077 1.00 0.00 H new ATOM 0 HA ASN A 63 -15.240 -6.990 -7.481 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -13.460 -8.010 -5.464 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -14.882 -9.035 -5.485 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -14.880 -10.611 -7.060 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -13.835 -10.583 -8.484 1.00 0.00 H new ATOM 927 N ARG A 64 -16.837 -6.834 -4.647 1.00 0.00 N ATOM 928 CA ARG A 64 -18.148 -6.975 -4.022 1.00 0.00 C ATOM 929 C ARG A 64 -18.476 -8.445 -3.776 1.00 0.00 C ATOM 930 O ARG A 64 -19.639 -8.845 -3.806 1.00 0.00 O ATOM 931 CB ARG A 64 -19.229 -6.338 -4.898 1.00 0.00 C ATOM 932 CG ARG A 64 -20.311 -5.622 -4.104 1.00 0.00 C ATOM 933 CD ARG A 64 -20.235 -4.115 -4.286 1.00 0.00 C ATOM 934 NE ARG A 64 -21.146 -3.408 -3.389 1.00 0.00 N ATOM 935 CZ ARG A 64 -22.462 -3.335 -3.575 1.00 0.00 C ATOM 936 NH1 ARG A 64 -23.025 -3.924 -4.622 1.00 0.00 N ATOM 937 NH2 ARG A 64 -23.218 -2.672 -2.710 1.00 0.00 N ATOM 0 H ARG A 64 -16.148 -6.342 -4.078 1.00 0.00 H new ATOM 0 HA ARG A 64 -18.122 -6.460 -3.062 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -18.761 -5.629 -5.580 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -19.691 -7.112 -5.511 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -21.291 -5.978 -4.421 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -20.209 -5.867 -3.047 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -19.214 -3.779 -4.104 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -20.475 -3.862 -5.319 1.00 0.00 H new ATOM 0 HE ARG A 64 -20.750 -2.943 -2.572 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -22.449 -4.436 -5.290 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -24.034 -3.865 -4.759 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -22.791 -2.218 -1.903 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -24.226 -2.616 -2.852 1.00 0.00 H new ATOM 951 N SER A 65 -17.441 -9.244 -3.536 1.00 0.00 N ATOM 952 CA SER A 65 -17.616 -10.669 -3.285 1.00 0.00 C ATOM 953 C SER A 65 -17.473 -10.980 -1.796 1.00 0.00 C ATOM 954 O SER A 65 -16.992 -10.150 -1.026 1.00 0.00 O ATOM 955 CB SER A 65 -16.594 -11.476 -4.088 1.00 0.00 C ATOM 956 OG SER A 65 -17.163 -11.966 -5.290 1.00 0.00 O ATOM 0 H SER A 65 -16.472 -8.928 -3.510 1.00 0.00 H new ATOM 0 HA SER A 65 -18.621 -10.950 -3.601 1.00 0.00 H new ATOM 0 HB2 SER A 65 -15.732 -10.850 -4.319 1.00 0.00 H new ATOM 0 HB3 SER A 65 -16.231 -12.310 -3.487 1.00 0.00 H new ATOM 0 HG SER A 65 -16.490 -12.477 -5.786 1.00 0.00 H new ATOM 962 N PRO A 66 -17.890 -12.185 -1.370 1.00 0.00 N ATOM 963 CA PRO A 66 -17.804 -12.599 0.034 1.00 0.00 C ATOM 964 C PRO A 66 -16.367 -12.602 0.546 1.00 0.00 C ATOM 965 O PRO A 66 -15.561 -13.449 0.160 1.00 0.00 O ATOM 966 CB PRO A 66 -18.376 -14.023 0.035 1.00 0.00 C ATOM 967 CG PRO A 66 -18.303 -14.474 -1.385 1.00 0.00 C ATOM 968 CD PRO A 66 -18.474 -13.238 -2.219 1.00 0.00 C ATOM 0 HA PRO A 66 -18.343 -11.915 0.690 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -17.799 -14.679 0.687 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -19.403 -14.035 0.400 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -17.348 -14.956 -1.593 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -19.083 -15.204 -1.604 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -17.956 -13.320 -3.174 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -19.523 -13.042 -2.441 1.00 0.00 H new ATOM 976 N LEU A 67 -16.054 -11.649 1.417 1.00 0.00 N ATOM 977 CA LEU A 67 -14.715 -11.540 1.983 1.00 0.00 C ATOM 978 C LEU A 67 -14.779 -11.246 3.479 1.00 0.00 C ATOM 979 O LEU A 67 -15.742 -10.653 3.965 1.00 0.00 O ATOM 980 CB LEU A 67 -13.926 -10.441 1.268 1.00 0.00 C ATOM 981 CG LEU A 67 -12.502 -10.224 1.782 1.00 0.00 C ATOM 982 CD1 LEU A 67 -11.601 -11.374 1.357 1.00 0.00 C ATOM 983 CD2 LEU A 67 -11.951 -8.898 1.278 1.00 0.00 C ATOM 0 H LEU A 67 -16.710 -10.941 1.746 1.00 0.00 H new ATOM 0 HA LEU A 67 -14.207 -12.494 1.841 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -13.879 -10.681 0.206 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -14.475 -9.504 1.359 1.00 0.00 H new ATOM 0 HG LEU A 67 -12.529 -10.194 2.871 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.592 -11.203 1.731 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -11.986 -12.308 1.766 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -11.579 -11.436 0.269 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -10.937 -8.759 1.653 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -11.938 -8.900 0.188 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -12.583 -8.083 1.631 1.00 0.00 H new ATOM 995 N THR A 68 -13.747 -11.666 4.204 1.00 0.00 N ATOM 996 CA THR A 68 -13.686 -11.448 5.645 1.00 0.00 C ATOM 997 C THR A 68 -12.263 -11.121 6.087 1.00 0.00 C ATOM 998 O THR A 68 -11.347 -11.053 5.266 1.00 0.00 O ATOM 999 CB THR A 68 -14.193 -12.684 6.390 1.00 0.00 C ATOM 1000 OG1 THR A 68 -13.747 -13.870 5.756 1.00 0.00 O ATOM 1001 CG2 THR A 68 -15.702 -12.752 6.480 1.00 0.00 C ATOM 0 H THR A 68 -12.942 -12.159 3.817 1.00 0.00 H new ATOM 0 HA THR A 68 -14.325 -10.599 5.886 1.00 0.00 H new ATOM 0 HB THR A 68 -13.788 -12.599 7.399 1.00 0.00 H new ATOM 0 HG1 THR A 68 -14.080 -14.649 6.248 1.00 0.00 H new ATOM 0 HG21 THR A 68 -15.994 -13.653 7.020 1.00 0.00 H new ATOM 0 HG22 THR A 68 -16.075 -11.875 7.009 1.00 0.00 H new ATOM 0 HG23 THR A 68 -16.126 -12.778 5.476 1.00 0.00 H new ATOM 1009 N MET A 69 -12.085 -10.919 7.388 1.00 0.00 N ATOM 1010 CA MET A 69 -10.773 -10.600 7.939 1.00 0.00 C ATOM 1011 C MET A 69 -9.856 -11.819 7.904 1.00 0.00 C ATOM 1012 O MET A 69 -8.639 -11.689 7.776 1.00 0.00 O ATOM 1013 CB MET A 69 -10.911 -10.090 9.376 1.00 0.00 C ATOM 1014 CG MET A 69 -9.998 -8.919 9.696 1.00 0.00 C ATOM 1015 SD MET A 69 -10.774 -7.324 9.375 1.00 0.00 S ATOM 1016 CE MET A 69 -9.443 -6.459 8.546 1.00 0.00 C ATOM 0 H MET A 69 -12.832 -10.970 8.080 1.00 0.00 H new ATOM 0 HA MET A 69 -10.329 -9.817 7.324 1.00 0.00 H new ATOM 0 HB2 MET A 69 -11.945 -9.792 9.549 1.00 0.00 H new ATOM 0 HB3 MET A 69 -10.695 -10.907 10.065 1.00 0.00 H new ATOM 0 HG2 MET A 69 -9.702 -8.970 10.744 1.00 0.00 H new ATOM 0 HG3 MET A 69 -9.087 -9.001 9.103 1.00 0.00 H new ATOM 0 HE1 MET A 69 -9.835 -5.562 8.067 1.00 0.00 H new ATOM 0 HE2 MET A 69 -8.682 -6.178 9.274 1.00 0.00 H new ATOM 0 HE3 MET A 69 -9.001 -7.109 7.791 1.00 0.00 H new ATOM 1026 N ASP A 70 -10.449 -13.003 8.019 1.00 0.00 N ATOM 1027 CA ASP A 70 -9.686 -14.246 8.001 1.00 0.00 C ATOM 1028 C ASP A 70 -9.216 -14.575 6.588 1.00 0.00 C ATOM 1029 O ASP A 70 -8.162 -15.183 6.399 1.00 0.00 O ATOM 1030 CB ASP A 70 -10.532 -15.396 8.550 1.00 0.00 C ATOM 1031 CG ASP A 70 -10.424 -15.526 10.056 1.00 0.00 C ATOM 1032 OD1 ASP A 70 -11.210 -14.863 10.767 1.00 0.00 O ATOM 1033 OD2 ASP A 70 -9.555 -16.290 10.526 1.00 0.00 O ATOM 0 H ASP A 70 -11.456 -13.128 8.126 1.00 0.00 H new ATOM 0 HA ASP A 70 -8.809 -14.114 8.635 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.575 -15.239 8.276 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -10.217 -16.330 8.084 1.00 0.00 H new ATOM 1038 N GLN A 71 -10.005 -14.170 5.598 1.00 0.00 N ATOM 1039 CA GLN A 71 -9.670 -14.424 4.201 1.00 0.00 C ATOM 1040 C GLN A 71 -8.458 -13.602 3.773 1.00 0.00 C ATOM 1041 O GLN A 71 -7.467 -14.146 3.286 1.00 0.00 O ATOM 1042 CB GLN A 71 -10.864 -14.098 3.302 1.00 0.00 C ATOM 1043 CG GLN A 71 -11.961 -15.150 3.343 1.00 0.00 C ATOM 1044 CD GLN A 71 -13.062 -14.885 2.335 1.00 0.00 C ATOM 1045 OE1 GLN A 71 -14.201 -14.597 2.704 1.00 0.00 O ATOM 1046 NE2 GLN A 71 -12.727 -14.979 1.054 1.00 0.00 N ATOM 0 H GLN A 71 -10.880 -13.665 5.737 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.424 -15.481 4.099 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -11.282 -13.137 3.602 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.516 -13.988 2.275 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -11.526 -16.131 3.151 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -12.391 -15.183 4.344 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -11.771 -15.220 0.793 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -13.426 -14.810 0.330 1.00 0.00 H new ATOM 1055 N ILE A 72 -8.543 -12.289 3.958 1.00 0.00 N ATOM 1056 CA ILE A 72 -7.453 -11.393 3.591 1.00 0.00 C ATOM 1057 C ILE A 72 -6.176 -11.743 4.345 1.00 0.00 C ATOM 1058 O ILE A 72 -6.223 -12.243 5.470 1.00 0.00 O ATOM 1059 CB ILE A 72 -7.815 -9.923 3.874 1.00 0.00 C ATOM 1060 CG1 ILE A 72 -8.162 -9.734 5.352 1.00 0.00 C ATOM 1061 CG2 ILE A 72 -8.973 -9.483 2.990 1.00 0.00 C ATOM 1062 CD1 ILE A 72 -7.031 -9.150 6.169 1.00 0.00 C ATOM 0 H ILE A 72 -9.356 -11.822 4.360 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.287 -11.520 2.521 1.00 0.00 H new ATOM 0 HB ILE A 72 -6.951 -9.301 3.643 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.032 -9.082 5.432 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.446 -10.697 5.776 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.217 -8.442 3.202 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -8.690 -9.583 1.942 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -9.843 -10.108 3.192 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.348 -9.044 7.206 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.167 -9.812 6.120 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -6.762 -8.172 5.770 1.00 0.00 H new ATOM 1074 N ARG A 73 -5.033 -11.478 3.719 1.00 0.00 N ATOM 1075 CA ARG A 73 -3.741 -11.766 4.332 1.00 0.00 C ATOM 1076 C ARG A 73 -2.821 -10.549 4.258 1.00 0.00 C ATOM 1077 O ARG A 73 -2.931 -9.732 3.344 1.00 0.00 O ATOM 1078 CB ARG A 73 -3.082 -12.962 3.643 1.00 0.00 C ATOM 1079 CG ARG A 73 -3.977 -14.188 3.566 1.00 0.00 C ATOM 1080 CD ARG A 73 -3.531 -15.270 4.537 1.00 0.00 C ATOM 1081 NE ARG A 73 -3.396 -14.761 5.900 1.00 0.00 N ATOM 1082 CZ ARG A 73 -2.701 -15.375 6.854 1.00 0.00 C ATOM 1083 NH1 ARG A 73 -2.077 -16.518 6.600 1.00 0.00 N ATOM 1084 NH2 ARG A 73 -2.629 -14.843 8.067 1.00 0.00 N ATOM 0 H ARG A 73 -4.976 -11.065 2.788 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.909 -12.008 5.381 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.788 -12.673 2.634 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.169 -13.222 4.179 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.006 -13.902 3.786 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.967 -14.583 2.550 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -4.252 -16.087 4.525 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.577 -15.682 4.208 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.862 -13.884 6.134 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -2.128 -16.931 5.669 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -1.546 -16.984 7.336 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -3.106 -13.964 8.268 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -2.096 -15.313 8.799 1.00 0.00 H new ATOM 1098 N PRO A 74 -1.898 -10.412 5.226 1.00 0.00 N ATOM 1099 CA PRO A 74 -0.958 -9.288 5.266 1.00 0.00 C ATOM 1100 C PRO A 74 0.093 -9.370 4.165 1.00 0.00 C ATOM 1101 O PRO A 74 0.751 -10.396 3.996 1.00 0.00 O ATOM 1102 CB PRO A 74 -0.302 -9.424 6.642 1.00 0.00 C ATOM 1103 CG PRO A 74 -0.412 -10.872 6.972 1.00 0.00 C ATOM 1104 CD PRO A 74 -1.700 -11.342 6.354 1.00 0.00 C ATOM 0 HA PRO A 74 -1.459 -8.333 5.109 1.00 0.00 H new ATOM 0 HB2 PRO A 74 0.739 -9.101 6.618 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -0.809 -8.809 7.385 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.437 -11.428 6.575 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -0.418 -11.027 8.051 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -1.629 -12.375 6.015 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -2.526 -11.295 7.063 1.00 0.00 H new ATOM 1112 N ASN A 75 0.245 -8.282 3.416 1.00 0.00 N ATOM 1113 CA ASN A 75 1.219 -8.231 2.331 1.00 0.00 C ATOM 1114 C ASN A 75 2.629 -8.029 2.875 1.00 0.00 C ATOM 1115 O ASN A 75 3.058 -6.900 3.114 1.00 0.00 O ATOM 1116 CB ASN A 75 0.868 -7.105 1.356 1.00 0.00 C ATOM 1117 CG ASN A 75 1.193 -7.463 -0.080 1.00 0.00 C ATOM 1118 OD1 ASN A 75 1.478 -8.618 -0.396 1.00 0.00 O ATOM 1119 ND2 ASN A 75 1.153 -6.470 -0.962 1.00 0.00 N ATOM 0 H ASN A 75 -0.293 -7.425 3.540 1.00 0.00 H new ATOM 0 HA ASN A 75 1.187 -9.183 1.802 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -0.194 -6.874 1.439 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.413 -6.203 1.635 1.00 0.00 H new ATOM 0 HD21 ASN A 75 1.363 -6.651 -1.944 1.00 0.00 H new ATOM 0 HD22 ASN A 75 0.912 -5.527 -0.658 1.00 0.00 H new ATOM 1126 N THR A 76 3.346 -9.132 3.068 1.00 0.00 N ATOM 1127 CA THR A 76 4.709 -9.076 3.584 1.00 0.00 C ATOM 1128 C THR A 76 5.664 -8.514 2.537 1.00 0.00 C ATOM 1129 O THR A 76 6.570 -7.744 2.858 1.00 0.00 O ATOM 1130 CB THR A 76 5.170 -10.468 4.017 1.00 0.00 C ATOM 1131 OG1 THR A 76 4.058 -11.291 4.326 1.00 0.00 O ATOM 1132 CG2 THR A 76 6.076 -10.448 5.229 1.00 0.00 C ATOM 0 H THR A 76 3.006 -10.074 2.875 1.00 0.00 H new ATOM 0 HA THR A 76 4.717 -8.413 4.449 1.00 0.00 H new ATOM 0 HB THR A 76 5.731 -10.863 3.170 1.00 0.00 H new ATOM 0 HG1 THR A 76 4.373 -12.178 4.599 1.00 0.00 H new ATOM 0 HG21 THR A 76 6.366 -11.467 5.483 1.00 0.00 H new ATOM 0 HG22 THR A 76 6.967 -9.861 5.007 1.00 0.00 H new ATOM 0 HG23 THR A 76 5.548 -10.001 6.071 1.00 0.00 H new ATOM 1140 N GLU A 77 5.457 -8.904 1.283 1.00 0.00 N ATOM 1141 CA GLU A 77 6.300 -8.439 0.188 1.00 0.00 C ATOM 1142 C GLU A 77 6.251 -6.919 0.073 1.00 0.00 C ATOM 1143 O GLU A 77 7.237 -6.281 -0.294 1.00 0.00 O ATOM 1144 CB GLU A 77 5.859 -9.080 -1.130 1.00 0.00 C ATOM 1145 CG GLU A 77 6.727 -10.252 -1.557 1.00 0.00 C ATOM 1146 CD GLU A 77 6.169 -10.983 -2.762 1.00 0.00 C ATOM 1147 OE1 GLU A 77 5.989 -10.340 -3.817 1.00 0.00 O ATOM 1148 OE2 GLU A 77 5.910 -12.201 -2.651 1.00 0.00 O ATOM 0 H GLU A 77 4.712 -9.541 1.000 1.00 0.00 H new ATOM 0 HA GLU A 77 7.327 -8.735 0.400 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.828 -9.419 -1.032 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.873 -8.324 -1.915 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.730 -9.892 -1.788 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.823 -10.950 -0.725 1.00 0.00 H new ATOM 1155 N LEU A 78 5.095 -6.344 0.390 1.00 0.00 N ATOM 1156 CA LEU A 78 4.916 -4.899 0.322 1.00 0.00 C ATOM 1157 C LEU A 78 5.391 -4.231 1.609 1.00 0.00 C ATOM 1158 O LEU A 78 6.013 -3.169 1.576 1.00 0.00 O ATOM 1159 CB LEU A 78 3.447 -4.557 0.068 1.00 0.00 C ATOM 1160 CG LEU A 78 3.173 -3.093 -0.279 1.00 0.00 C ATOM 1161 CD1 LEU A 78 3.957 -2.682 -1.516 1.00 0.00 C ATOM 1162 CD2 LEU A 78 1.684 -2.866 -0.489 1.00 0.00 C ATOM 0 H LEU A 78 4.269 -6.857 0.696 1.00 0.00 H new ATOM 0 HA LEU A 78 5.517 -4.522 -0.505 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.080 -5.182 -0.746 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.870 -4.818 0.955 1.00 0.00 H new ATOM 0 HG LEU A 78 3.501 -2.473 0.556 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.750 -1.637 -1.748 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.024 -2.807 -1.329 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.661 -3.306 -2.359 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.507 -1.819 -0.735 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.332 -3.496 -1.306 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.145 -3.120 0.424 1.00 0.00 H new ATOM 1174 N LYS A 79 5.090 -4.860 2.741 1.00 0.00 N ATOM 1175 CA LYS A 79 5.485 -4.326 4.040 1.00 0.00 C ATOM 1176 C LYS A 79 7.000 -4.154 4.122 1.00 0.00 C ATOM 1177 O LYS A 79 7.494 -3.216 4.747 1.00 0.00 O ATOM 1178 CB LYS A 79 5.004 -5.248 5.161 1.00 0.00 C ATOM 1179 CG LYS A 79 4.826 -4.540 6.496 1.00 0.00 C ATOM 1180 CD LYS A 79 4.952 -5.508 7.661 1.00 0.00 C ATOM 1181 CE LYS A 79 5.585 -4.841 8.873 1.00 0.00 C ATOM 1182 NZ LYS A 79 4.568 -4.457 9.891 1.00 0.00 N ATOM 0 H LYS A 79 4.574 -5.739 2.785 1.00 0.00 H new ATOM 0 HA LYS A 79 5.020 -3.347 4.158 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.055 -5.698 4.868 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.719 -6.062 5.283 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.573 -3.752 6.594 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.849 -4.058 6.526 1.00 0.00 H new ATOM 0 HD2 LYS A 79 3.966 -5.889 7.927 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.554 -6.365 7.360 1.00 0.00 H new ATOM 0 HE2 LYS A 79 6.310 -5.519 9.323 1.00 0.00 H new ATOM 0 HE3 LYS A 79 6.132 -3.954 8.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.040 -4.006 10.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.890 -3.790 9.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.063 -5.306 10.214 1.00 0.00 H new ATOM 1196 N GLU A 80 7.729 -5.065 3.486 1.00 0.00 N ATOM 1197 CA GLU A 80 9.187 -5.013 3.489 1.00 0.00 C ATOM 1198 C GLU A 80 9.690 -3.798 2.717 1.00 0.00 C ATOM 1199 O GLU A 80 10.741 -3.240 3.033 1.00 0.00 O ATOM 1200 CB GLU A 80 9.764 -6.293 2.882 1.00 0.00 C ATOM 1201 CG GLU A 80 9.647 -7.505 3.792 1.00 0.00 C ATOM 1202 CD GLU A 80 10.645 -8.593 3.446 1.00 0.00 C ATOM 1203 OE1 GLU A 80 10.922 -8.783 2.243 1.00 0.00 O ATOM 1204 OE2 GLU A 80 11.148 -9.255 4.378 1.00 0.00 O ATOM 0 H GLU A 80 7.335 -5.847 2.963 1.00 0.00 H new ATOM 0 HA GLU A 80 9.521 -4.927 4.523 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.251 -6.503 1.943 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.815 -6.130 2.642 1.00 0.00 H new ATOM 0 HG2 GLU A 80 9.798 -7.194 4.826 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.637 -7.909 3.725 1.00 0.00 H new ATOM 1211 N LYS A 81 8.933 -3.393 1.703 1.00 0.00 N ATOM 1212 CA LYS A 81 9.301 -2.243 0.885 1.00 0.00 C ATOM 1213 C LYS A 81 9.075 -0.940 1.645 1.00 0.00 C ATOM 1214 O LYS A 81 9.782 0.045 1.431 1.00 0.00 O ATOM 1215 CB LYS A 81 8.494 -2.236 -0.414 1.00 0.00 C ATOM 1216 CG LYS A 81 9.056 -3.155 -1.486 1.00 0.00 C ATOM 1217 CD LYS A 81 8.099 -3.297 -2.658 1.00 0.00 C ATOM 1218 CE LYS A 81 8.732 -4.065 -3.807 1.00 0.00 C ATOM 1219 NZ LYS A 81 7.745 -4.380 -4.876 1.00 0.00 N ATOM 0 H LYS A 81 8.061 -3.844 1.428 1.00 0.00 H new ATOM 0 HA LYS A 81 10.361 -2.323 0.645 1.00 0.00 H new ATOM 0 HB2 LYS A 81 7.468 -2.532 -0.196 1.00 0.00 H new ATOM 0 HB3 LYS A 81 8.457 -1.218 -0.803 1.00 0.00 H new ATOM 0 HG2 LYS A 81 10.009 -2.762 -1.839 1.00 0.00 H new ATOM 0 HG3 LYS A 81 9.255 -4.137 -1.057 1.00 0.00 H new ATOM 0 HD2 LYS A 81 7.195 -3.811 -2.330 1.00 0.00 H new ATOM 0 HD3 LYS A 81 7.796 -2.308 -3.003 1.00 0.00 H new ATOM 0 HE2 LYS A 81 9.549 -3.479 -4.229 1.00 0.00 H new ATOM 0 HE3 LYS A 81 9.166 -4.991 -3.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 8.240 -4.488 -5.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 7.252 -5.266 -4.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 7.053 -3.607 -4.948 1.00 0.00 H new ATOM 1233 N ILE A 82 8.086 -0.942 2.533 1.00 0.00 N ATOM 1234 CA ILE A 82 7.768 0.239 3.324 1.00 0.00 C ATOM 1235 C ILE A 82 8.818 0.476 4.406 1.00 0.00 C ATOM 1236 O ILE A 82 9.087 1.614 4.785 1.00 0.00 O ATOM 1237 CB ILE A 82 6.382 0.117 3.986 1.00 0.00 C ATOM 1238 CG1 ILE A 82 5.329 -0.278 2.948 1.00 0.00 C ATOM 1239 CG2 ILE A 82 5.999 1.426 4.663 1.00 0.00 C ATOM 1240 CD1 ILE A 82 4.028 -0.753 3.558 1.00 0.00 C ATOM 0 H ILE A 82 7.492 -1.749 2.722 1.00 0.00 H new ATOM 0 HA ILE A 82 7.760 1.086 2.638 1.00 0.00 H new ATOM 0 HB ILE A 82 6.428 -0.663 4.746 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.128 0.577 2.303 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.733 -1.067 2.314 1.00 0.00 H new ATOM 0 HG21 ILE A 82 5.017 1.323 5.126 1.00 0.00 H new ATOM 0 HG22 ILE A 82 6.737 1.670 5.428 1.00 0.00 H new ATOM 0 HG23 ILE A 82 5.968 2.224 3.921 1.00 0.00 H new ATOM 0 HD11 ILE A 82 3.329 -1.016 2.764 1.00 0.00 H new ATOM 0 HD12 ILE A 82 4.216 -1.628 4.181 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.601 0.042 4.169 1.00 0.00 H new ATOM 1252 N GLN A 83 9.408 -0.609 4.897 1.00 0.00 N ATOM 1253 CA GLN A 83 10.430 -0.520 5.934 1.00 0.00 C ATOM 1254 C GLN A 83 11.720 0.070 5.374 1.00 0.00 C ATOM 1255 O GLN A 83 12.381 0.876 6.028 1.00 0.00 O ATOM 1256 CB GLN A 83 10.703 -1.901 6.531 1.00 0.00 C ATOM 1257 CG GLN A 83 9.469 -2.566 7.117 1.00 0.00 C ATOM 1258 CD GLN A 83 9.156 -2.083 8.519 1.00 0.00 C ATOM 1259 OE1 GLN A 83 10.059 -1.821 9.314 1.00 0.00 O ATOM 1260 NE2 GLN A 83 7.870 -1.963 8.831 1.00 0.00 N ATOM 0 H GLN A 83 9.196 -1.560 4.594 1.00 0.00 H new ATOM 0 HA GLN A 83 10.060 0.139 6.719 1.00 0.00 H new ATOM 0 HB2 GLN A 83 11.120 -2.546 5.757 1.00 0.00 H new ATOM 0 HB3 GLN A 83 11.460 -1.808 7.310 1.00 0.00 H new ATOM 0 HG2 GLN A 83 8.614 -2.370 6.470 1.00 0.00 H new ATOM 0 HG3 GLN A 83 9.616 -3.646 7.133 1.00 0.00 H new ATOM 0 HE21 GLN A 83 7.154 -2.191 8.141 1.00 0.00 H new ATOM 0 HE22 GLN A 83 7.598 -1.643 9.761 1.00 0.00 H new ATOM 1269 N ARG A 84 12.072 -0.339 4.159 1.00 0.00 N ATOM 1270 CA ARG A 84 13.283 0.148 3.511 1.00 0.00 C ATOM 1271 C ARG A 84 13.193 1.648 3.248 1.00 0.00 C ATOM 1272 O ARG A 84 14.141 2.392 3.503 1.00 0.00 O ATOM 1273 CB ARG A 84 13.519 -0.603 2.197 1.00 0.00 C ATOM 1274 CG ARG A 84 14.842 -1.350 2.152 1.00 0.00 C ATOM 1275 CD ARG A 84 14.740 -2.701 2.843 1.00 0.00 C ATOM 1276 NE ARG A 84 14.156 -3.719 1.973 1.00 0.00 N ATOM 1277 CZ ARG A 84 13.634 -4.861 2.415 1.00 0.00 C ATOM 1278 NH1 ARG A 84 13.622 -5.135 3.714 1.00 0.00 N ATOM 1279 NH2 ARG A 84 13.123 -5.734 1.556 1.00 0.00 N ATOM 0 H ARG A 84 11.536 -1.006 3.604 1.00 0.00 H new ATOM 0 HA ARG A 84 14.124 -0.033 4.180 1.00 0.00 H new ATOM 0 HB2 ARG A 84 12.706 -1.312 2.042 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.484 0.107 1.371 1.00 0.00 H new ATOM 0 HG2 ARG A 84 15.146 -1.492 1.115 1.00 0.00 H new ATOM 0 HG3 ARG A 84 15.616 -0.751 2.632 1.00 0.00 H new ATOM 0 HD2 ARG A 84 15.732 -3.021 3.160 1.00 0.00 H new ATOM 0 HD3 ARG A 84 14.134 -2.603 3.743 1.00 0.00 H new ATOM 0 HE ARG A 84 14.148 -3.544 0.968 1.00 0.00 H new ATOM 0 HH11 ARG A 84 14.014 -4.469 4.379 1.00 0.00 H new ATOM 0 HH12 ARG A 84 13.221 -6.012 4.047 1.00 0.00 H new ATOM 0 HH21 ARG A 84 13.130 -5.530 0.557 1.00 0.00 H new ATOM 0 HH22 ARG A 84 12.723 -6.609 1.895 1.00 0.00 H new ATOM 1293 N TRP A 85 12.048 2.086 2.736 1.00 0.00 N ATOM 1294 CA TRP A 85 11.832 3.497 2.438 1.00 0.00 C ATOM 1295 C TRP A 85 11.736 4.317 3.721 1.00 0.00 C ATOM 1296 O TRP A 85 12.359 5.372 3.843 1.00 0.00 O ATOM 1297 CB TRP A 85 10.560 3.675 1.608 1.00 0.00 C ATOM 1298 CG TRP A 85 10.295 5.099 1.225 1.00 0.00 C ATOM 1299 CD1 TRP A 85 11.027 5.866 0.364 1.00 0.00 C ATOM 1300 CD2 TRP A 85 9.225 5.929 1.692 1.00 0.00 C ATOM 1301 NE1 TRP A 85 10.477 7.121 0.266 1.00 0.00 N ATOM 1302 CE2 TRP A 85 9.370 7.184 1.072 1.00 0.00 C ATOM 1303 CE3 TRP A 85 8.158 5.732 2.572 1.00 0.00 C ATOM 1304 CZ2 TRP A 85 8.487 8.236 1.305 1.00 0.00 C ATOM 1305 CZ3 TRP A 85 7.282 6.777 2.803 1.00 0.00 C ATOM 1306 CH2 TRP A 85 7.452 8.015 2.171 1.00 0.00 C ATOM 0 H TRP A 85 11.254 1.483 2.518 1.00 0.00 H new ATOM 0 HA TRP A 85 12.686 3.856 1.863 1.00 0.00 H new ATOM 0 HB2 TRP A 85 10.638 3.072 0.704 1.00 0.00 H new ATOM 0 HB3 TRP A 85 9.710 3.294 2.173 1.00 0.00 H new ATOM 0 HD1 TRP A 85 11.909 5.534 -0.163 1.00 0.00 H new ATOM 0 HE1 TRP A 85 10.834 7.882 -0.312 1.00 0.00 H new ATOM 0 HE3 TRP A 85 8.020 4.780 3.063 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 8.615 9.192 0.819 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 6.454 6.636 3.482 1.00 0.00 H new ATOM 0 HH2 TRP A 85 6.751 8.812 2.372 1.00 0.00 H new ATOM 1317 N LEU A 86 10.952 3.825 4.674 1.00 0.00 N ATOM 1318 CA LEU A 86 10.774 4.514 5.947 1.00 0.00 C ATOM 1319 C LEU A 86 12.111 4.706 6.655 1.00 0.00 C ATOM 1320 O LEU A 86 12.361 5.750 7.257 1.00 0.00 O ATOM 1321 CB LEU A 86 9.816 3.728 6.846 1.00 0.00 C ATOM 1322 CG LEU A 86 8.333 4.055 6.653 1.00 0.00 C ATOM 1323 CD1 LEU A 86 7.463 3.023 7.352 1.00 0.00 C ATOM 1324 CD2 LEU A 86 8.025 5.453 7.170 1.00 0.00 C ATOM 0 H LEU A 86 10.430 2.953 4.589 1.00 0.00 H new ATOM 0 HA LEU A 86 10.348 5.496 5.743 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.964 2.663 6.666 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.082 3.916 7.886 1.00 0.00 H new ATOM 0 HG LEU A 86 8.109 4.025 5.587 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.412 3.272 7.204 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.664 2.036 6.936 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.688 3.020 8.419 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.967 5.670 7.025 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.265 5.509 8.232 1.00 0.00 H new ATOM 0 HD23 LEU A 86 8.623 6.183 6.624 1.00 0.00 H new ATOM 1336 N ALA A 87 12.966 3.691 6.580 1.00 0.00 N ATOM 1337 CA ALA A 87 14.278 3.750 7.213 1.00 0.00 C ATOM 1338 C ALA A 87 15.264 4.542 6.361 1.00 0.00 C ATOM 1339 O ALA A 87 16.187 5.168 6.884 1.00 0.00 O ATOM 1340 CB ALA A 87 14.805 2.344 7.464 1.00 0.00 C ATOM 0 H ALA A 87 12.774 2.819 6.088 1.00 0.00 H new ATOM 0 HA ALA A 87 14.171 4.263 8.169 1.00 0.00 H new ATOM 0 HB1 ALA A 87 15.785 2.402 7.937 1.00 0.00 H new ATOM 0 HB2 ALA A 87 14.117 1.809 8.119 1.00 0.00 H new ATOM 0 HB3 ALA A 87 14.890 1.813 6.516 1.00 0.00 H new ATOM 1346 N GLU A 88 15.064 4.510 5.048 1.00 0.00 N ATOM 1347 CA GLU A 88 15.936 5.226 4.125 1.00 0.00 C ATOM 1348 C GLU A 88 15.663 6.726 4.168 1.00 0.00 C ATOM 1349 O GLU A 88 16.589 7.536 4.152 1.00 0.00 O ATOM 1350 CB GLU A 88 15.745 4.702 2.700 1.00 0.00 C ATOM 1351 CG GLU A 88 16.668 3.547 2.346 1.00 0.00 C ATOM 1352 CD GLU A 88 16.907 3.428 0.854 1.00 0.00 C ATOM 1353 OE1 GLU A 88 17.455 4.381 0.262 1.00 0.00 O ATOM 1354 OE2 GLU A 88 16.543 2.382 0.276 1.00 0.00 O ATOM 0 H GLU A 88 14.306 3.996 4.599 1.00 0.00 H new ATOM 0 HA GLU A 88 16.967 5.055 4.434 1.00 0.00 H new ATOM 0 HB2 GLU A 88 14.711 4.381 2.576 1.00 0.00 H new ATOM 0 HB3 GLU A 88 15.912 5.518 1.997 1.00 0.00 H new ATOM 0 HG2 GLU A 88 17.623 3.681 2.854 1.00 0.00 H new ATOM 0 HG3 GLU A 88 16.238 2.616 2.717 1.00 0.00 H new ATOM 1361 N ARG A 89 14.385 7.089 4.221 1.00 0.00 N ATOM 1362 CA ARG A 89 13.992 8.492 4.266 1.00 0.00 C ATOM 1363 C ARG A 89 14.464 9.154 5.558 1.00 0.00 C ATOM 1364 O ARG A 89 14.699 10.362 5.597 1.00 0.00 O ATOM 1365 CB ARG A 89 12.472 8.624 4.136 1.00 0.00 C ATOM 1366 CG ARG A 89 11.705 8.011 5.296 1.00 0.00 C ATOM 1367 CD ARG A 89 10.464 8.822 5.637 1.00 0.00 C ATOM 1368 NE ARG A 89 10.478 9.290 7.021 1.00 0.00 N ATOM 1369 CZ ARG A 89 9.431 9.845 7.626 1.00 0.00 C ATOM 1370 NH1 ARG A 89 8.286 10.003 6.975 1.00 0.00 N ATOM 1371 NH2 ARG A 89 9.529 10.243 8.886 1.00 0.00 N ATOM 0 H ARG A 89 13.605 6.431 4.234 1.00 0.00 H new ATOM 0 HA ARG A 89 14.467 9.000 3.427 1.00 0.00 H new ATOM 0 HB2 ARG A 89 12.213 9.680 4.058 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.153 8.148 3.209 1.00 0.00 H new ATOM 0 HG2 ARG A 89 11.416 6.991 5.043 1.00 0.00 H new ATOM 0 HG3 ARG A 89 12.353 7.951 6.170 1.00 0.00 H new ATOM 0 HD2 ARG A 89 10.395 9.678 4.966 1.00 0.00 H new ATOM 0 HD3 ARG A 89 9.576 8.213 5.469 1.00 0.00 H new ATOM 0 HE ARG A 89 11.341 9.185 7.555 1.00 0.00 H new ATOM 0 HH11 ARG A 89 8.205 9.698 6.005 1.00 0.00 H new ATOM 0 HH12 ARG A 89 7.487 10.429 7.444 1.00 0.00 H new ATOM 0 HH21 ARG A 89 10.407 10.124 9.392 1.00 0.00 H new ATOM 0 HH22 ARG A 89 8.727 10.669 9.350 1.00 0.00 H new ATOM 1385 N LYS A 90 14.601 8.355 6.612 1.00 0.00 N ATOM 1386 CA LYS A 90 15.046 8.867 7.903 1.00 0.00 C ATOM 1387 C LYS A 90 16.555 9.092 7.908 1.00 0.00 C ATOM 1388 O LYS A 90 17.295 8.404 8.611 1.00 0.00 O ATOM 1389 CB LYS A 90 14.658 7.896 9.020 1.00 0.00 C ATOM 1390 CG LYS A 90 13.198 7.999 9.435 1.00 0.00 C ATOM 1391 CD LYS A 90 13.054 8.194 10.937 1.00 0.00 C ATOM 1392 CE LYS A 90 12.732 6.885 11.639 1.00 0.00 C ATOM 1393 NZ LYS A 90 13.917 5.985 11.711 1.00 0.00 N ATOM 0 H LYS A 90 14.411 7.353 6.597 1.00 0.00 H new ATOM 0 HA LYS A 90 14.555 9.824 8.077 1.00 0.00 H new ATOM 0 HB2 LYS A 90 14.863 6.877 8.692 1.00 0.00 H new ATOM 0 HB3 LYS A 90 15.288 8.084 9.889 1.00 0.00 H new ATOM 0 HG2 LYS A 90 12.729 8.833 8.913 1.00 0.00 H new ATOM 0 HG3 LYS A 90 12.669 7.095 9.133 1.00 0.00 H new ATOM 0 HD2 LYS A 90 13.978 8.608 11.342 1.00 0.00 H new ATOM 0 HD3 LYS A 90 12.265 8.919 11.137 1.00 0.00 H new ATOM 0 HE2 LYS A 90 12.373 7.093 12.647 1.00 0.00 H new ATOM 0 HE3 LYS A 90 11.924 6.379 11.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 13.655 5.104 12.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 14.245 5.765 10.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 14.680 6.457 12.238 1.00 0.00 H new ATOM 1407 N GLN A 91 17.005 10.062 7.117 1.00 0.00 N ATOM 1408 CA GLN A 91 18.425 10.378 7.029 1.00 0.00 C ATOM 1409 C GLN A 91 18.826 11.381 8.105 1.00 0.00 C ATOM 1410 O GLN A 91 18.587 12.582 7.971 1.00 0.00 O ATOM 1411 CB GLN A 91 18.759 10.938 5.645 1.00 0.00 C ATOM 1412 CG GLN A 91 19.018 9.864 4.600 1.00 0.00 C ATOM 1413 CD GLN A 91 18.488 10.242 3.232 1.00 0.00 C ATOM 1414 OE1 GLN A 91 19.226 10.240 2.246 1.00 0.00 O ATOM 1415 NE2 GLN A 91 17.203 10.571 3.164 1.00 0.00 N ATOM 0 H GLN A 91 16.406 10.642 6.529 1.00 0.00 H new ATOM 0 HA GLN A 91 18.987 9.458 7.187 1.00 0.00 H new ATOM 0 HB2 GLN A 91 17.936 11.569 5.309 1.00 0.00 H new ATOM 0 HB3 GLN A 91 19.639 11.577 5.723 1.00 0.00 H new ATOM 0 HG2 GLN A 91 20.090 9.680 4.532 1.00 0.00 H new ATOM 0 HG3 GLN A 91 18.554 8.931 4.920 1.00 0.00 H new ATOM 0 HE21 GLN A 91 16.628 10.559 4.007 1.00 0.00 H new ATOM 0 HE22 GLN A 91 16.791 10.836 2.269 1.00 0.00 H new ATOM 1424 N GLN A 92 19.440 10.882 9.173 1.00 0.00 N ATOM 1425 CA GLN A 92 19.874 11.734 10.273 1.00 0.00 C ATOM 1426 C GLN A 92 21.098 12.553 9.875 1.00 0.00 C ATOM 1427 O GLN A 92 21.075 13.783 9.915 1.00 0.00 O ATOM 1428 CB GLN A 92 20.193 10.888 11.507 1.00 0.00 C ATOM 1429 CG GLN A 92 18.963 10.499 12.312 1.00 0.00 C ATOM 1430 CD GLN A 92 19.298 10.105 13.737 1.00 0.00 C ATOM 1431 OE1 GLN A 92 20.355 9.532 14.002 1.00 0.00 O ATOM 1432 NE2 GLN A 92 18.397 10.408 14.664 1.00 0.00 N ATOM 0 H GLN A 92 19.648 9.891 9.300 1.00 0.00 H new ATOM 0 HA GLN A 92 19.061 12.419 10.511 1.00 0.00 H new ATOM 0 HB2 GLN A 92 20.712 9.983 11.192 1.00 0.00 H new ATOM 0 HB3 GLN A 92 20.878 11.441 12.150 1.00 0.00 H new ATOM 0 HG2 GLN A 92 18.263 11.335 12.325 1.00 0.00 H new ATOM 0 HG3 GLN A 92 18.458 9.668 11.819 1.00 0.00 H new ATOM 0 HE21 GLN A 92 17.534 10.883 14.400 1.00 0.00 H new ATOM 0 HE22 GLN A 92 18.568 10.165 15.640 1.00 0.00 H new ATOM 1441 N SER A 93 22.166 11.862 9.491 1.00 0.00 N ATOM 1442 CA SER A 93 23.400 12.524 9.084 1.00 0.00 C ATOM 1443 C SER A 93 24.291 11.574 8.291 1.00 0.00 C ATOM 1444 O SER A 93 24.789 11.923 7.220 1.00 0.00 O ATOM 1445 CB SER A 93 24.153 13.043 10.310 1.00 0.00 C ATOM 1446 OG SER A 93 23.349 13.933 11.064 1.00 0.00 O ATOM 0 H SER A 93 22.202 10.843 9.453 1.00 0.00 H new ATOM 0 HA SER A 93 23.137 13.366 8.444 1.00 0.00 H new ATOM 0 HB2 SER A 93 24.457 12.204 10.936 1.00 0.00 H new ATOM 0 HB3 SER A 93 25.064 13.551 9.993 1.00 0.00 H new ATOM 0 HG SER A 93 22.602 14.246 10.513 1.00 0.00 H new ATOM 1452 N GLY A 94 24.484 10.371 8.821 1.00 0.00 N ATOM 1453 CA GLY A 94 25.314 9.388 8.149 1.00 0.00 C ATOM 1454 C GLY A 94 26.207 8.625 9.114 1.00 0.00 C ATOM 1455 O GLY A 94 26.811 9.225 10.003 1.00 0.00 O ATOM 0 H GLY A 94 24.080 10.059 9.704 1.00 0.00 H new ATOM 0 HA2 GLY A 94 24.677 8.684 7.614 1.00 0.00 H new ATOM 0 HA3 GLY A 94 25.933 9.888 7.404 1.00 0.00 H new ATOM 1459 N PRO A 95 26.314 7.292 8.963 1.00 0.00 N ATOM 1460 CA PRO A 95 27.149 6.465 9.842 1.00 0.00 C ATOM 1461 C PRO A 95 28.596 6.945 9.886 1.00 0.00 C ATOM 1462 O PRO A 95 29.439 6.475 9.120 1.00 0.00 O ATOM 1463 CB PRO A 95 27.068 5.071 9.212 1.00 0.00 C ATOM 1464 CG PRO A 95 25.803 5.079 8.427 1.00 0.00 C ATOM 1465 CD PRO A 95 25.632 6.488 7.933 1.00 0.00 C ATOM 0 HA PRO A 95 26.805 6.498 10.876 1.00 0.00 H new ATOM 0 HB2 PRO A 95 27.929 4.876 8.572 1.00 0.00 H new ATOM 0 HB3 PRO A 95 27.055 4.293 9.975 1.00 0.00 H new ATOM 0 HG2 PRO A 95 25.856 4.377 7.595 1.00 0.00 H new ATOM 0 HG3 PRO A 95 24.958 4.777 9.046 1.00 0.00 H new ATOM 0 HD2 PRO A 95 26.082 6.627 6.950 1.00 0.00 H new ATOM 0 HD3 PRO A 95 24.580 6.758 7.843 1.00 0.00 H new ATOM 1473 N SER A 96 28.878 7.881 10.786 1.00 0.00 N ATOM 1474 CA SER A 96 30.225 8.424 10.928 1.00 0.00 C ATOM 1475 C SER A 96 30.717 9.020 9.613 1.00 0.00 C ATOM 1476 O SER A 96 31.310 8.324 8.788 1.00 0.00 O ATOM 1477 CB SER A 96 31.189 7.333 11.400 1.00 0.00 C ATOM 1478 OG SER A 96 32.139 7.853 12.314 1.00 0.00 O ATOM 0 H SER A 96 28.193 8.279 11.428 1.00 0.00 H new ATOM 0 HA SER A 96 30.191 9.219 11.673 1.00 0.00 H new ATOM 0 HB2 SER A 96 30.628 6.527 11.873 1.00 0.00 H new ATOM 0 HB3 SER A 96 31.704 6.902 10.541 1.00 0.00 H new ATOM 0 HG SER A 96 32.742 7.136 12.602 1.00 0.00 H new ATOM 1484 N SER A 97 30.466 10.311 9.423 1.00 0.00 N ATOM 1485 CA SER A 97 30.884 11.000 8.207 1.00 0.00 C ATOM 1486 C SER A 97 32.205 11.730 8.422 1.00 0.00 C ATOM 1487 O SER A 97 32.784 11.680 9.507 1.00 0.00 O ATOM 1488 CB SER A 97 29.807 11.990 7.762 1.00 0.00 C ATOM 1489 OG SER A 97 29.635 13.022 8.718 1.00 0.00 O ATOM 0 H SER A 97 29.975 10.901 10.095 1.00 0.00 H new ATOM 0 HA SER A 97 31.026 10.253 7.426 1.00 0.00 H new ATOM 0 HB2 SER A 97 30.082 12.423 6.800 1.00 0.00 H new ATOM 0 HB3 SER A 97 28.863 11.464 7.616 1.00 0.00 H new ATOM 0 HG SER A 97 28.942 13.642 8.409 1.00 0.00 H new ATOM 1495 N GLY A 98 32.678 12.408 7.381 1.00 0.00 N ATOM 1496 CA GLY A 98 33.927 13.139 7.477 1.00 0.00 C ATOM 1497 C GLY A 98 35.136 12.224 7.482 1.00 0.00 C ATOM 1498 O GLY A 98 35.719 12.016 8.568 1.00 0.00 O ATOM 1499 OXT GLY A 98 35.500 11.714 6.401 1.00 0.00 O ATOM 0 H GLY A 98 32.218 12.464 6.472 1.00 0.00 H new ATOM 0 HA2 GLY A 98 34.004 13.833 6.640 1.00 0.00 H new ATOM 0 HA3 GLY A 98 33.925 13.738 8.388 1.00 0.00 H new TER 1503 GLY A 98