USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 786 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 100 MET CE :methyl -141:sc= -6.15! (180deg=-9.18!) USER MOD Set 1.2: A 105 ASN : amide:sc= -3.88! C(o=-14!,f=-25!) USER MOD Set 1.3: A 109 MET CE :methyl -109:sc= -4.21! (180deg=-6.69!) USER MOD Set 2.1: A 85 MET CE :methyl 177:sc= -0.614 (180deg=-0.661) USER MOD Set 2.2: A 97 ASN :FLIP amide:sc= -0.577 F(o=-4.9,f=-1.2) USER MOD Set 3.1: A 54 HIS : no HD1:sc= -1.39 K(o=-2.9,f=-3.4!) USER MOD Set 3.2: A 69 TYR OH : rot 60:sc= -1.5! USER MOD Set 4.1: A 32 THR OG1 : rot 180:sc= -0.184 USER MOD Set 4.2: A 33 SER OG : rot 180:sc= 0.0764 USER MOD Set 5.1: A 30 ASN :FLIP amide:sc= -4.3! X(o=-6.5,f=-6.3!) USER MOD Set 5.2: A 103 HIS :FLIP no HE2:sc= -1.99 F(o=-8!,f=-6.3) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -1.28 X(o=-1.3,f=-1) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS :FLIP no HE2:sc= 0.0865 F(o=-0.84,f=0.086) USER MOD Single : A 42 GLN : amide:sc= -0.434 K(o=-0.43,f=-2.1!) USER MOD Single : A 46 SER OG : rot 160:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -3.41 K(o=-3.4,f=-6.5!) USER MOD Single : A 58 SER OG : rot 178:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 1.14 K(o=1.1,f=0) USER MOD Single : A 63 GLN : amide:sc= -0.106 X(o=-0.11,f=-0.57) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN :FLIP amide:sc= -0.504 F(o=-1.5,f=-0.5) USER MOD Single : A 70 ASN : amide:sc= -0.0154 X(o=-0.015,f=0) USER MOD Single : A 71 ASN : amide:sc= -0.712 K(o=-0.71,f=-3.7!) USER MOD Single : A 73 TYR OH : rot 47:sc= 0.147 USER MOD Single : A 74 SER OG : rot 82:sc= 0.113 USER MOD Single : A 75 HIS :FLIP no HD1:sc= -0.137 F(o=-0.64,f=-0.14) USER MOD Single : A 76 THR OG1 : rot 77:sc= -1.62 USER MOD Single : A 77 GLN : amide:sc= -0.609 X(o=-0.61,f=-0.93) USER MOD Single : A 79 THR OG1 : rot -90:sc= -2.12 USER MOD Single : A 82 MET CE :methyl 156:sc= -0.844 (180deg=-2.29!) USER MOD Single : A 86 GLN : amide:sc= -1.01 K(o=-1,f=-2.1) USER MOD Single : A 87 HIS :FLIP no HE2:sc= -1.21 F(o=-2.8,f=-1.2) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl -174:sc= -0.623 (180deg=-0.833) USER MOD Single : A 91 THR OG1 : rot -125:sc= 0.0172 USER MOD Single : A 94 SER OG : rot -71:sc= 0.619 USER MOD Single : A 111 SER OG : rot 88:sc= 0.0936 USER MOD Single : A 114 THR OG1 : rot -101:sc= 0.482 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 MET CE :methyl 163:sc= -0.405 (180deg=-0.721) USER MOD Single : A 124 GLN : amide:sc= -0.31 K(o=-0.31,f=-2.8!) USER MOD Single : A 125 HIS : no HE2:sc= 0.504 K(o=0.5,f=-4!) USER MOD Single : A 127 MET CE :methyl -135:sc= -1.07 (180deg=-2.15!) USER MOD Single : A 130 HIS : no HD1:sc= -0.0117 X(o=-0.012,f=-0.007) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 29 -10.893 19.727 -9.905 1.00 0.00 N ATOM 2 CA ASP A 29 -11.800 18.571 -9.683 1.00 0.00 C ATOM 3 C ASP A 29 -11.017 17.327 -9.273 1.00 0.00 C ATOM 4 O ASP A 29 -9.821 17.217 -9.543 1.00 0.00 O ATOM 5 CB ASP A 29 -12.576 18.306 -10.974 1.00 0.00 C ATOM 6 CG ASP A 29 -13.342 19.525 -11.449 1.00 0.00 C ATOM 7 OD1 ASP A 29 -14.083 20.115 -10.635 1.00 0.00 O ATOM 8 OD2 ASP A 29 -13.202 19.890 -12.635 1.00 0.00 O ATOM 0 HA ASP A 29 -12.489 18.807 -8.872 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -11.882 17.990 -11.753 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -13.272 17.483 -10.814 1.00 0.00 H new ATOM 13 N ASN A 30 -11.701 16.391 -8.621 1.00 0.00 N ATOM 14 CA ASN A 30 -11.070 15.154 -8.175 1.00 0.00 C ATOM 15 C ASN A 30 -11.957 13.951 -8.478 1.00 0.00 C ATOM 16 O ASN A 30 -13.026 14.089 -9.073 1.00 0.00 O ATOM 17 CB ASN A 30 -10.780 15.217 -6.674 1.00 0.00 C ATOM 18 CG ASN A 30 -9.577 16.080 -6.349 1.00 0.00 C ATOM 19 OD1 ASN A 30 -8.630 15.516 -5.609 1.00 0.00 O flip ATOM 20 ND2 ASN A 30 -9.499 17.238 -6.759 1.00 0.00 N flip ATOM 0 H ASN A 30 -12.692 16.466 -8.390 1.00 0.00 H new ATOM 0 HA ASN A 30 -10.131 15.040 -8.717 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -11.655 15.609 -6.155 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -10.611 14.208 -6.298 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -10.251 17.630 -7.325 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -8.682 17.805 -6.533 1.00 0.00 H new ATOM 27 N VAL A 31 -11.506 12.772 -8.063 1.00 0.00 N ATOM 28 CA VAL A 31 -12.258 11.542 -8.286 1.00 0.00 C ATOM 29 C VAL A 31 -13.424 11.428 -7.308 1.00 0.00 C ATOM 30 O VAL A 31 -13.435 12.077 -6.262 1.00 0.00 O ATOM 31 CB VAL A 31 -11.360 10.297 -8.149 1.00 0.00 C ATOM 32 CG1 VAL A 31 -10.502 10.119 -9.393 1.00 0.00 C ATOM 33 CG2 VAL A 31 -10.491 10.393 -6.903 1.00 0.00 C ATOM 0 H VAL A 31 -10.623 12.642 -7.570 1.00 0.00 H new ATOM 0 HA VAL A 31 -12.644 11.587 -9.305 1.00 0.00 H new ATOM 0 HB VAL A 31 -12.001 9.421 -8.047 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -9.874 9.235 -9.279 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -11.145 9.997 -10.264 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -9.871 10.997 -9.528 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -9.865 9.504 -6.826 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -9.858 11.278 -6.968 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -11.127 10.466 -6.021 1.00 0.00 H new ATOM 43 N THR A 32 -14.405 10.602 -7.658 1.00 0.00 N ATOM 44 CA THR A 32 -15.579 10.406 -6.813 1.00 0.00 C ATOM 45 C THR A 32 -15.199 9.768 -5.481 1.00 0.00 C ATOM 46 O THR A 32 -14.083 9.276 -5.312 1.00 0.00 O ATOM 47 CB THR A 32 -16.609 9.531 -7.530 1.00 0.00 C ATOM 48 OG1 THR A 32 -17.805 9.444 -6.775 1.00 0.00 O ATOM 49 CG2 THR A 32 -16.124 8.120 -7.786 1.00 0.00 C ATOM 0 H THR A 32 -14.411 10.058 -8.521 1.00 0.00 H new ATOM 0 HA THR A 32 -16.014 11.385 -6.614 1.00 0.00 H new ATOM 0 HB THR A 32 -16.782 10.017 -8.490 1.00 0.00 H new ATOM 0 HG1 THR A 32 -18.452 8.882 -7.250 1.00 0.00 H new ATOM 0 HG21 THR A 32 -16.903 7.555 -8.297 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.230 8.150 -8.409 1.00 0.00 H new ATOM 0 HG23 THR A 32 -15.889 7.638 -6.837 1.00 0.00 H new ATOM 57 N SER A 33 -16.138 9.775 -4.540 1.00 0.00 N ATOM 58 CA SER A 33 -15.906 9.192 -3.224 1.00 0.00 C ATOM 59 C SER A 33 -15.703 7.685 -3.334 1.00 0.00 C ATOM 60 O SER A 33 -14.892 7.102 -2.615 1.00 0.00 O ATOM 61 CB SER A 33 -17.080 9.495 -2.292 1.00 0.00 C ATOM 62 OG SER A 33 -18.278 9.687 -3.026 1.00 0.00 O ATOM 0 H SER A 33 -17.067 10.178 -4.665 1.00 0.00 H new ATOM 0 HA SER A 33 -15.002 9.637 -2.808 1.00 0.00 H new ATOM 0 HB2 SER A 33 -17.210 8.674 -1.587 1.00 0.00 H new ATOM 0 HB3 SER A 33 -16.862 10.388 -1.706 1.00 0.00 H new ATOM 0 HG SER A 33 -19.014 9.878 -2.407 1.00 0.00 H new ATOM 68 N SER A 34 -16.443 7.060 -4.246 1.00 0.00 N ATOM 69 CA SER A 34 -16.340 5.621 -4.457 1.00 0.00 C ATOM 70 C SER A 34 -14.955 5.258 -4.979 1.00 0.00 C ATOM 71 O SER A 34 -14.436 4.179 -4.694 1.00 0.00 O ATOM 72 CB SER A 34 -17.410 5.150 -5.443 1.00 0.00 C ATOM 73 OG SER A 34 -18.711 5.351 -4.919 1.00 0.00 O ATOM 0 H SER A 34 -17.119 7.528 -4.849 1.00 0.00 H new ATOM 0 HA SER A 34 -16.497 5.121 -3.501 1.00 0.00 H new ATOM 0 HB2 SER A 34 -17.306 5.691 -6.383 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.264 4.093 -5.666 1.00 0.00 H new ATOM 0 HG SER A 34 -19.377 5.043 -5.569 1.00 0.00 H new ATOM 79 N GLN A 35 -14.359 6.171 -5.739 1.00 0.00 N ATOM 80 CA GLN A 35 -13.030 5.951 -6.294 1.00 0.00 C ATOM 81 C GLN A 35 -11.968 6.107 -5.214 1.00 0.00 C ATOM 82 O GLN A 35 -10.987 5.364 -5.182 1.00 0.00 O ATOM 83 CB GLN A 35 -12.765 6.925 -7.441 1.00 0.00 C ATOM 84 CG GLN A 35 -11.377 6.793 -8.047 1.00 0.00 C ATOM 85 CD GLN A 35 -11.063 5.374 -8.480 1.00 0.00 C ATOM 86 OE1 GLN A 35 -11.950 4.627 -8.892 1.00 0.00 O ATOM 87 NE2 GLN A 35 -9.794 4.995 -8.387 1.00 0.00 N ATOM 0 H GLN A 35 -14.776 7.069 -5.984 1.00 0.00 H new ATOM 0 HA GLN A 35 -12.983 4.933 -6.682 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.509 6.765 -8.221 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -12.898 7.944 -7.078 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -11.295 7.458 -8.907 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -10.634 7.120 -7.319 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -9.091 5.647 -8.040 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -9.522 4.051 -8.663 1.00 0.00 H new ATOM 96 N LEU A 36 -12.175 7.072 -4.321 1.00 0.00 N ATOM 97 CA LEU A 36 -11.239 7.314 -3.229 1.00 0.00 C ATOM 98 C LEU A 36 -10.985 6.021 -2.462 1.00 0.00 C ATOM 99 O LEU A 36 -9.839 5.652 -2.200 1.00 0.00 O ATOM 100 CB LEU A 36 -11.788 8.386 -2.283 1.00 0.00 C ATOM 101 CG LEU A 36 -11.311 9.811 -2.568 1.00 0.00 C ATOM 102 CD1 LEU A 36 -9.815 9.933 -2.326 1.00 0.00 C ATOM 103 CD2 LEU A 36 -11.657 10.215 -3.993 1.00 0.00 C ATOM 0 H LEU A 36 -12.981 7.697 -4.333 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.298 7.669 -3.649 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.877 8.368 -2.332 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -11.510 8.124 -1.262 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.825 10.488 -1.885 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.495 10.954 -2.534 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.593 9.688 -1.287 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -9.283 9.245 -2.983 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -11.310 11.232 -4.177 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -11.172 9.534 -4.692 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -12.737 10.170 -4.132 1.00 0.00 H new ATOM 115 N LEU A 37 -12.067 5.331 -2.118 1.00 0.00 N ATOM 116 CA LEU A 37 -11.971 4.071 -1.397 1.00 0.00 C ATOM 117 C LEU A 37 -11.658 2.923 -2.355 1.00 0.00 C ATOM 118 O LEU A 37 -11.196 1.861 -1.937 1.00 0.00 O ATOM 119 CB LEU A 37 -13.270 3.788 -0.637 1.00 0.00 C ATOM 120 CG LEU A 37 -14.469 3.420 -1.513 1.00 0.00 C ATOM 121 CD1 LEU A 37 -14.628 1.910 -1.592 1.00 0.00 C ATOM 122 CD2 LEU A 37 -15.739 4.065 -0.980 1.00 0.00 C ATOM 0 H LEU A 37 -13.021 5.625 -2.328 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.156 4.152 -0.677 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -13.091 2.975 0.067 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.527 4.668 -0.048 1.00 0.00 H new ATOM 0 HG LEU A 37 -14.289 3.799 -2.519 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -15.486 1.667 -2.219 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -13.728 1.471 -2.022 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -14.785 1.508 -0.591 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -16.581 3.792 -1.616 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -15.925 3.718 0.036 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.623 5.149 -0.977 1.00 0.00 H new ATOM 134 N SER A 38 -11.905 3.140 -3.645 1.00 0.00 N ATOM 135 CA SER A 38 -11.636 2.119 -4.649 1.00 0.00 C ATOM 136 C SER A 38 -10.136 1.868 -4.770 1.00 0.00 C ATOM 137 O SER A 38 -9.706 0.774 -5.137 1.00 0.00 O ATOM 138 CB SER A 38 -12.207 2.540 -6.004 1.00 0.00 C ATOM 139 OG SER A 38 -11.997 1.535 -6.981 1.00 0.00 O ATOM 0 H SER A 38 -12.289 4.009 -4.016 1.00 0.00 H new ATOM 0 HA SER A 38 -12.120 1.195 -4.334 1.00 0.00 H new ATOM 0 HB2 SER A 38 -13.274 2.739 -5.906 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.738 3.469 -6.327 1.00 0.00 H new ATOM 0 HG SER A 38 -12.372 1.828 -7.838 1.00 0.00 H new ATOM 145 N VAL A 39 -9.343 2.888 -4.452 1.00 0.00 N ATOM 146 CA VAL A 39 -7.893 2.774 -4.523 1.00 0.00 C ATOM 147 C VAL A 39 -7.323 2.257 -3.210 1.00 0.00 C ATOM 148 O VAL A 39 -6.410 1.433 -3.202 1.00 0.00 O ATOM 149 CB VAL A 39 -7.236 4.124 -4.861 1.00 0.00 C ATOM 150 CG1 VAL A 39 -5.751 3.938 -5.131 1.00 0.00 C ATOM 151 CG2 VAL A 39 -7.926 4.770 -6.052 1.00 0.00 C ATOM 0 H VAL A 39 -9.681 3.800 -4.144 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.669 2.065 -5.320 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.347 4.788 -4.004 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.301 4.902 -5.369 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.270 3.521 -4.246 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.617 3.258 -5.972 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.448 5.724 -6.276 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.848 4.113 -6.918 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.977 4.938 -5.817 1.00 0.00 H new ATOM 161 N ARG A 40 -7.869 2.739 -2.098 1.00 0.00 N ATOM 162 CA ARG A 40 -7.405 2.306 -0.787 1.00 0.00 C ATOM 163 C ARG A 40 -7.708 0.826 -0.579 1.00 0.00 C ATOM 164 O ARG A 40 -7.005 0.134 0.158 1.00 0.00 O ATOM 165 CB ARG A 40 -8.045 3.151 0.321 1.00 0.00 C ATOM 166 CG ARG A 40 -9.514 2.837 0.578 1.00 0.00 C ATOM 167 CD ARG A 40 -9.700 1.622 1.481 1.00 0.00 C ATOM 168 NE ARG A 40 -8.662 1.522 2.506 1.00 0.00 N ATOM 169 CZ ARG A 40 -8.723 2.130 3.689 1.00 0.00 C ATOM 170 NH1 ARG A 40 -9.764 2.892 4.001 1.00 0.00 N ATOM 171 NH2 ARG A 40 -7.737 1.978 4.562 1.00 0.00 N ATOM 0 H ARG A 40 -8.626 3.423 -2.079 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.325 2.447 -0.740 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.486 3.001 1.245 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -7.951 4.205 0.059 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.993 3.703 1.035 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.017 2.660 -0.373 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.677 1.677 1.962 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.694 0.717 0.873 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.841 0.952 2.302 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.525 3.015 3.333 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.803 3.354 4.909 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -6.933 1.396 4.327 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.782 2.443 5.469 1.00 0.00 H new ATOM 185 N HIS A 41 -8.757 0.346 -1.242 1.00 0.00 N ATOM 186 CA HIS A 41 -9.151 -1.053 -1.141 1.00 0.00 C ATOM 187 C HIS A 41 -8.221 -1.929 -1.974 1.00 0.00 C ATOM 188 O HIS A 41 -7.825 -3.014 -1.547 1.00 0.00 O ATOM 189 CB HIS A 41 -10.597 -1.233 -1.608 1.00 0.00 C ATOM 190 CG HIS A 41 -11.602 -1.152 -0.500 1.00 0.00 C ATOM 191 ND1 HIS A 41 -12.153 -0.082 0.123 1.00 0.00 N flip ATOM 192 CD2 HIS A 41 -12.162 -2.265 0.091 1.00 0.00 C flip ATOM 193 CE1 HIS A 41 -13.024 -0.565 1.067 1.00 0.00 C flip ATOM 194 NE2 HIS A 41 -13.013 -1.884 1.027 1.00 0.00 N flip ATOM 0 H HIS A 41 -9.349 0.907 -1.855 1.00 0.00 H new ATOM 0 HA HIS A 41 -9.078 -1.357 -0.097 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -10.827 -0.470 -2.352 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -10.692 -2.199 -2.103 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -11.957 0.900 -0.073 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -11.940 -3.289 -0.171 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -13.622 0.037 1.735 1.00 0.00 H new ATOM 203 N GLN A 42 -7.874 -1.448 -3.165 1.00 0.00 N ATOM 204 CA GLN A 42 -6.988 -2.186 -4.058 1.00 0.00 C ATOM 205 C GLN A 42 -5.533 -2.063 -3.607 1.00 0.00 C ATOM 206 O GLN A 42 -4.725 -2.965 -3.828 1.00 0.00 O ATOM 207 CB GLN A 42 -7.144 -1.682 -5.500 1.00 0.00 C ATOM 208 CG GLN A 42 -6.321 -0.442 -5.820 1.00 0.00 C ATOM 209 CD GLN A 42 -5.022 -0.773 -6.529 1.00 0.00 C ATOM 210 OE1 GLN A 42 -4.908 -1.804 -7.192 1.00 0.00 O ATOM 211 NE2 GLN A 42 -4.034 0.104 -6.393 1.00 0.00 N ATOM 0 H GLN A 42 -8.193 -0.552 -3.533 1.00 0.00 H new ATOM 0 HA GLN A 42 -7.268 -3.239 -4.021 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.859 -2.480 -6.185 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -8.196 -1.464 -5.685 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.910 0.230 -6.444 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.101 0.092 -4.896 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -4.173 0.946 -5.834 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -3.137 -0.064 -6.848 1.00 0.00 H new ATOM 220 N LEU A 43 -5.208 -0.938 -2.977 1.00 0.00 N ATOM 221 CA LEU A 43 -3.852 -0.693 -2.498 1.00 0.00 C ATOM 222 C LEU A 43 -3.604 -1.401 -1.169 1.00 0.00 C ATOM 223 O LEU A 43 -2.685 -2.211 -1.048 1.00 0.00 O ATOM 224 CB LEU A 43 -3.611 0.815 -2.343 1.00 0.00 C ATOM 225 CG LEU A 43 -2.144 1.262 -2.360 1.00 0.00 C ATOM 226 CD1 LEU A 43 -1.528 1.116 -0.980 1.00 0.00 C ATOM 227 CD2 LEU A 43 -1.342 0.476 -3.388 1.00 0.00 C ATOM 0 H LEU A 43 -5.865 -0.182 -2.786 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.155 -1.094 -3.234 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.138 1.332 -3.145 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.060 1.141 -1.405 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.116 2.314 -2.645 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.487 1.438 -1.010 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.078 1.733 -0.269 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.576 0.073 -0.668 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.306 0.815 -3.377 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.379 -0.586 -3.144 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.766 0.636 -4.379 1.00 0.00 H new ATOM 239 N ALA A 44 -4.429 -1.089 -0.174 1.00 0.00 N ATOM 240 CA ALA A 44 -4.301 -1.692 1.150 1.00 0.00 C ATOM 241 C ALA A 44 -4.231 -3.214 1.066 1.00 0.00 C ATOM 242 O ALA A 44 -3.341 -3.836 1.645 1.00 0.00 O ATOM 243 CB ALA A 44 -5.463 -1.265 2.034 1.00 0.00 C ATOM 0 H ALA A 44 -5.195 -0.421 -0.259 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.368 -1.340 1.591 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.358 -1.720 3.019 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.464 -0.180 2.134 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.401 -1.589 1.583 1.00 0.00 H new ATOM 249 N GLU A 45 -5.176 -3.808 0.344 1.00 0.00 N ATOM 250 CA GLU A 45 -5.220 -5.258 0.187 1.00 0.00 C ATOM 251 C GLU A 45 -3.909 -5.786 -0.387 1.00 0.00 C ATOM 252 O GLU A 45 -3.341 -6.752 0.123 1.00 0.00 O ATOM 253 CB GLU A 45 -6.386 -5.658 -0.718 1.00 0.00 C ATOM 254 CG GLU A 45 -7.742 -5.572 -0.035 1.00 0.00 C ATOM 255 CD GLU A 45 -8.840 -6.251 -0.830 1.00 0.00 C ATOM 256 OE1 GLU A 45 -9.220 -5.718 -1.893 1.00 0.00 O ATOM 257 OE2 GLU A 45 -9.319 -7.317 -0.388 1.00 0.00 O ATOM 0 H GLU A 45 -5.921 -3.308 -0.141 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.366 -5.700 1.173 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.390 -5.015 -1.598 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.229 -6.678 -1.070 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.677 -6.030 0.952 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.003 -4.524 0.116 1.00 0.00 H new ATOM 264 N SER A 46 -3.433 -5.146 -1.450 1.00 0.00 N ATOM 265 CA SER A 46 -2.188 -5.551 -2.091 1.00 0.00 C ATOM 266 C SER A 46 -0.994 -5.288 -1.177 1.00 0.00 C ATOM 267 O SER A 46 0.035 -5.957 -1.277 1.00 0.00 O ATOM 268 CB SER A 46 -2.005 -4.806 -3.415 1.00 0.00 C ATOM 269 OG SER A 46 -1.044 -5.449 -4.234 1.00 0.00 O ATOM 0 H SER A 46 -3.891 -4.345 -1.885 1.00 0.00 H new ATOM 0 HA SER A 46 -2.242 -6.621 -2.289 1.00 0.00 H new ATOM 0 HB2 SER A 46 -2.958 -4.753 -3.941 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.692 -3.781 -3.219 1.00 0.00 H new ATOM 0 HG SER A 46 -1.168 -5.169 -5.165 1.00 0.00 H new ATOM 275 N ALA A 47 -1.138 -4.312 -0.286 1.00 0.00 N ATOM 276 CA ALA A 47 -0.072 -3.963 0.645 1.00 0.00 C ATOM 277 C ALA A 47 -0.118 -4.844 1.890 1.00 0.00 C ATOM 278 O ALA A 47 -0.615 -4.429 2.937 1.00 0.00 O ATOM 279 CB ALA A 47 -0.168 -2.495 1.031 1.00 0.00 C ATOM 0 H ALA A 47 -1.983 -3.749 -0.190 1.00 0.00 H new ATOM 0 HA ALA A 47 0.882 -4.135 0.146 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.634 -2.248 1.727 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.076 -1.877 0.138 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.131 -2.306 1.506 1.00 0.00 H new ATOM 285 N GLY A 48 0.402 -6.061 1.769 1.00 0.00 N ATOM 286 CA GLY A 48 0.409 -6.979 2.893 1.00 0.00 C ATOM 287 C GLY A 48 0.838 -8.379 2.499 1.00 0.00 C ATOM 288 O GLY A 48 0.363 -8.924 1.503 1.00 0.00 O ATOM 0 H GLY A 48 0.818 -6.428 0.913 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.081 -6.600 3.663 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.588 -7.018 3.332 1.00 0.00 H new ATOM 292 N LEU A 49 1.739 -8.962 3.285 1.00 0.00 N ATOM 293 CA LEU A 49 2.232 -10.309 3.015 1.00 0.00 C ATOM 294 C LEU A 49 1.303 -11.357 3.628 1.00 0.00 C ATOM 295 O LEU A 49 0.953 -11.269 4.805 1.00 0.00 O ATOM 296 CB LEU A 49 3.646 -10.477 3.575 1.00 0.00 C ATOM 297 CG LEU A 49 4.740 -9.722 2.816 1.00 0.00 C ATOM 298 CD1 LEU A 49 4.904 -10.285 1.411 1.00 0.00 C ATOM 299 CD2 LEU A 49 4.422 -8.235 2.764 1.00 0.00 C ATOM 0 H LEU A 49 2.142 -8.523 4.113 1.00 0.00 H new ATOM 0 HA LEU A 49 2.256 -10.454 1.935 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.651 -10.145 4.613 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.895 -11.538 3.579 1.00 0.00 H new ATOM 0 HG LEU A 49 5.682 -9.854 3.348 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.686 -9.735 0.888 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.179 -11.338 1.471 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.965 -10.185 0.867 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.210 -7.713 2.221 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.470 -8.084 2.256 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.358 -7.841 3.778 1.00 0.00 H new ATOM 311 N PRO A 50 0.883 -12.364 2.840 1.00 0.00 N ATOM 312 CA PRO A 50 -0.013 -13.418 3.326 1.00 0.00 C ATOM 313 C PRO A 50 0.552 -14.150 4.543 1.00 0.00 C ATOM 314 O PRO A 50 0.104 -13.930 5.668 1.00 0.00 O ATOM 315 CB PRO A 50 -0.152 -14.366 2.128 1.00 0.00 C ATOM 316 CG PRO A 50 0.214 -13.543 0.941 1.00 0.00 C ATOM 317 CD PRO A 50 1.238 -12.554 1.422 1.00 0.00 C ATOM 0 HA PRO A 50 -0.967 -13.013 3.665 1.00 0.00 H new ATOM 0 HB2 PRO A 50 0.507 -15.229 2.229 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -1.169 -14.750 2.044 1.00 0.00 H new ATOM 0 HG2 PRO A 50 0.618 -14.167 0.144 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -0.660 -13.033 0.535 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.252 -12.937 1.309 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.187 -11.618 0.865 1.00 0.00 H new ATOM 325 N ARG A 51 1.533 -15.023 4.320 1.00 0.00 N ATOM 326 CA ARG A 51 2.140 -15.776 5.412 1.00 0.00 C ATOM 327 C ARG A 51 3.613 -16.076 5.134 1.00 0.00 C ATOM 328 O ARG A 51 4.502 -15.394 5.643 1.00 0.00 O ATOM 329 CB ARG A 51 1.370 -17.079 5.647 1.00 0.00 C ATOM 330 CG ARG A 51 0.582 -17.093 6.946 1.00 0.00 C ATOM 331 CD ARG A 51 1.388 -17.707 8.079 1.00 0.00 C ATOM 332 NE ARG A 51 0.533 -18.364 9.065 1.00 0.00 N ATOM 333 CZ ARG A 51 0.995 -19.080 10.087 1.00 0.00 C ATOM 334 NH1 ARG A 51 2.302 -19.236 10.261 1.00 0.00 N ATOM 335 NH2 ARG A 51 0.148 -19.643 10.938 1.00 0.00 N ATOM 0 H ARG A 51 1.921 -15.224 3.399 1.00 0.00 H new ATOM 0 HA ARG A 51 2.088 -15.162 6.311 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.685 -17.242 4.815 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.073 -17.912 5.649 1.00 0.00 H new ATOM 0 HG2 ARG A 51 0.297 -16.075 7.211 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.341 -17.657 6.807 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.094 -18.431 7.671 1.00 0.00 H new ATOM 0 HD3 ARG A 51 1.975 -16.930 8.569 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.477 -18.268 8.964 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.958 -18.806 9.609 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.650 -19.786 11.046 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.857 -19.527 10.809 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.502 -20.192 11.722 1.00 0.00 H new ATOM 349 N ASP A 52 3.860 -17.109 4.332 1.00 0.00 N ATOM 350 CA ASP A 52 5.220 -17.514 3.992 1.00 0.00 C ATOM 351 C ASP A 52 6.018 -16.355 3.402 1.00 0.00 C ATOM 352 O ASP A 52 7.195 -16.179 3.714 1.00 0.00 O ATOM 353 CB ASP A 52 5.192 -18.681 3.003 1.00 0.00 C ATOM 354 CG ASP A 52 4.552 -19.923 3.592 1.00 0.00 C ATOM 355 OD1 ASP A 52 5.000 -20.367 4.670 1.00 0.00 O ATOM 356 OD2 ASP A 52 3.603 -20.451 2.975 1.00 0.00 O ATOM 0 H ASP A 52 3.133 -17.682 3.905 1.00 0.00 H new ATOM 0 HA ASP A 52 5.712 -17.830 4.912 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.645 -18.383 2.109 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.210 -18.914 2.691 1.00 0.00 H new ATOM 361 N GLN A 53 5.372 -15.570 2.546 1.00 0.00 N ATOM 362 CA GLN A 53 6.027 -14.431 1.911 1.00 0.00 C ATOM 363 C GLN A 53 6.675 -13.519 2.950 1.00 0.00 C ATOM 364 O GLN A 53 7.686 -12.871 2.677 1.00 0.00 O ATOM 365 CB GLN A 53 5.021 -13.639 1.075 1.00 0.00 C ATOM 366 CG GLN A 53 4.679 -14.301 -0.251 1.00 0.00 C ATOM 367 CD GLN A 53 3.187 -14.492 -0.441 1.00 0.00 C ATOM 368 OE1 GLN A 53 2.494 -13.604 -0.936 1.00 0.00 O ATOM 369 NE2 GLN A 53 2.685 -15.657 -0.048 1.00 0.00 N ATOM 0 H GLN A 53 4.397 -15.701 2.276 1.00 0.00 H new ATOM 0 HA GLN A 53 6.810 -14.815 1.258 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.106 -13.506 1.652 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.424 -12.645 0.882 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.070 -13.694 -1.067 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.175 -15.270 -0.308 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.297 -16.365 0.358 1.00 0.00 H new ATOM 0 HE22 GLN A 53 1.688 -15.844 -0.152 1.00 0.00 H new ATOM 378 N HIS A 54 6.088 -13.476 4.141 1.00 0.00 N ATOM 379 CA HIS A 54 6.611 -12.645 5.219 1.00 0.00 C ATOM 380 C HIS A 54 7.620 -13.416 6.063 1.00 0.00 C ATOM 381 O HIS A 54 8.589 -12.847 6.565 1.00 0.00 O ATOM 382 CB HIS A 54 5.470 -12.140 6.105 1.00 0.00 C ATOM 383 CG HIS A 54 5.927 -11.226 7.200 1.00 0.00 C ATOM 384 ND1 HIS A 54 6.772 -11.628 8.213 1.00 0.00 N ATOM 385 CD2 HIS A 54 5.656 -9.920 7.435 1.00 0.00 C ATOM 386 CE1 HIS A 54 7.001 -10.611 9.023 1.00 0.00 C ATOM 387 NE2 HIS A 54 6.337 -9.562 8.573 1.00 0.00 N ATOM 0 H HIS A 54 5.251 -14.006 4.384 1.00 0.00 H new ATOM 0 HA HIS A 54 7.118 -11.791 4.769 1.00 0.00 H new ATOM 0 HB2 HIS A 54 4.743 -11.616 5.485 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.957 -12.995 6.546 1.00 0.00 H new ATOM 0 HD2 HIS A 54 5.023 -9.280 6.839 1.00 0.00 H new ATOM 0 HE1 HIS A 54 7.625 -10.633 9.904 1.00 0.00 H new ATOM 0 HE2 HIS A 54 6.331 -8.636 9.001 1.00 0.00 H new ATOM 396 N GLU A 55 7.381 -14.713 6.221 1.00 0.00 N ATOM 397 CA GLU A 55 8.265 -15.565 7.010 1.00 0.00 C ATOM 398 C GLU A 55 9.672 -15.614 6.416 1.00 0.00 C ATOM 399 O GLU A 55 10.624 -15.999 7.094 1.00 0.00 O ATOM 400 CB GLU A 55 7.692 -16.980 7.103 1.00 0.00 C ATOM 401 CG GLU A 55 8.031 -17.689 8.404 1.00 0.00 C ATOM 402 CD GLU A 55 8.437 -19.135 8.191 1.00 0.00 C ATOM 403 OE1 GLU A 55 7.981 -19.739 7.198 1.00 0.00 O ATOM 404 OE2 GLU A 55 9.210 -19.662 9.018 1.00 0.00 O ATOM 0 H GLU A 55 6.582 -15.198 5.813 1.00 0.00 H new ATOM 0 HA GLU A 55 8.334 -15.135 8.009 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.608 -16.932 6.997 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.068 -17.571 6.268 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.841 -17.158 8.903 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.168 -17.652 9.069 1.00 0.00 H new ATOM 411 N PHE A 56 9.800 -15.229 5.150 1.00 0.00 N ATOM 412 CA PHE A 56 11.096 -15.241 4.481 1.00 0.00 C ATOM 413 C PHE A 56 11.710 -13.841 4.445 1.00 0.00 C ATOM 414 O PHE A 56 12.886 -13.662 4.755 1.00 0.00 O ATOM 415 CB PHE A 56 10.951 -15.810 3.059 1.00 0.00 C ATOM 416 CG PHE A 56 11.623 -14.993 1.987 1.00 0.00 C ATOM 417 CD1 PHE A 56 13.002 -14.858 1.962 1.00 0.00 C ATOM 418 CD2 PHE A 56 10.874 -14.356 1.011 1.00 0.00 C ATOM 419 CE1 PHE A 56 13.621 -14.104 0.983 1.00 0.00 C ATOM 420 CE2 PHE A 56 11.487 -13.602 0.029 1.00 0.00 C ATOM 421 CZ PHE A 56 12.862 -13.476 0.015 1.00 0.00 C ATOM 0 H PHE A 56 9.026 -14.906 4.569 1.00 0.00 H new ATOM 0 HA PHE A 56 11.770 -15.883 5.048 1.00 0.00 H new ATOM 0 HB2 PHE A 56 11.364 -16.819 3.041 1.00 0.00 H new ATOM 0 HB3 PHE A 56 9.891 -15.895 2.822 1.00 0.00 H new ATOM 0 HD1 PHE A 56 13.600 -15.348 2.716 1.00 0.00 H new ATOM 0 HD2 PHE A 56 9.798 -14.450 1.018 1.00 0.00 H new ATOM 0 HE1 PHE A 56 14.697 -14.006 0.975 1.00 0.00 H new ATOM 0 HE2 PHE A 56 10.891 -13.112 -0.727 1.00 0.00 H new ATOM 0 HZ PHE A 56 13.343 -12.887 -0.752 1.00 0.00 H new ATOM 431 N VAL A 57 10.911 -12.856 4.052 1.00 0.00 N ATOM 432 CA VAL A 57 11.383 -11.478 3.960 1.00 0.00 C ATOM 433 C VAL A 57 11.726 -10.889 5.330 1.00 0.00 C ATOM 434 O VAL A 57 12.303 -9.805 5.414 1.00 0.00 O ATOM 435 CB VAL A 57 10.339 -10.575 3.271 1.00 0.00 C ATOM 436 CG1 VAL A 57 9.068 -10.490 4.102 1.00 0.00 C ATOM 437 CG2 VAL A 57 10.913 -9.187 3.016 1.00 0.00 C ATOM 0 H VAL A 57 9.933 -12.985 3.792 1.00 0.00 H new ATOM 0 HA VAL A 57 12.293 -11.509 3.360 1.00 0.00 H new ATOM 0 HB VAL A 57 10.085 -11.020 2.309 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.346 -9.848 3.597 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.645 -11.487 4.223 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.301 -10.073 5.082 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.161 -8.566 2.530 1.00 0.00 H new ATOM 0 HG22 VAL A 57 11.201 -8.733 3.964 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.789 -9.268 2.372 1.00 0.00 H new ATOM 447 N SER A 58 11.366 -11.593 6.401 1.00 0.00 N ATOM 448 CA SER A 58 11.642 -11.108 7.750 1.00 0.00 C ATOM 449 C SER A 58 12.473 -12.108 8.552 1.00 0.00 C ATOM 450 O SER A 58 13.401 -11.725 9.264 1.00 0.00 O ATOM 451 CB SER A 58 10.332 -10.819 8.484 1.00 0.00 C ATOM 452 OG SER A 58 10.571 -10.164 9.717 1.00 0.00 O ATOM 0 H SER A 58 10.887 -12.493 6.362 1.00 0.00 H new ATOM 0 HA SER A 58 12.220 -10.189 7.657 1.00 0.00 H new ATOM 0 HB2 SER A 58 9.690 -10.199 7.858 1.00 0.00 H new ATOM 0 HB3 SER A 58 9.798 -11.752 8.662 1.00 0.00 H new ATOM 0 HG SER A 58 9.716 -9.955 10.147 1.00 0.00 H new ATOM 458 N SER A 59 12.127 -13.387 8.448 1.00 0.00 N ATOM 459 CA SER A 59 12.836 -14.431 9.182 1.00 0.00 C ATOM 460 C SER A 59 14.072 -14.926 8.429 1.00 0.00 C ATOM 461 O SER A 59 14.879 -15.674 8.983 1.00 0.00 O ATOM 462 CB SER A 59 11.899 -15.606 9.466 1.00 0.00 C ATOM 463 OG SER A 59 12.108 -16.121 10.770 1.00 0.00 O ATOM 0 H SER A 59 11.362 -13.726 7.864 1.00 0.00 H new ATOM 0 HA SER A 59 13.173 -13.994 10.122 1.00 0.00 H new ATOM 0 HB2 SER A 59 10.863 -15.283 9.361 1.00 0.00 H new ATOM 0 HB3 SER A 59 12.064 -16.393 8.730 1.00 0.00 H new ATOM 0 HG SER A 59 11.496 -16.870 10.928 1.00 0.00 H new ATOM 469 N GLN A 60 14.221 -14.520 7.171 1.00 0.00 N ATOM 470 CA GLN A 60 15.367 -14.946 6.372 1.00 0.00 C ATOM 471 C GLN A 60 16.087 -13.754 5.748 1.00 0.00 C ATOM 472 O GLN A 60 17.278 -13.546 5.979 1.00 0.00 O ATOM 473 CB GLN A 60 14.918 -15.913 5.275 1.00 0.00 C ATOM 474 CG GLN A 60 14.146 -17.113 5.800 1.00 0.00 C ATOM 475 CD GLN A 60 15.054 -18.196 6.348 1.00 0.00 C ATOM 476 OE1 GLN A 60 15.411 -19.139 5.642 1.00 0.00 O ATOM 477 NE2 GLN A 60 15.434 -18.065 7.614 1.00 0.00 N ATOM 0 H GLN A 60 13.570 -13.903 6.686 1.00 0.00 H new ATOM 0 HA GLN A 60 16.065 -15.453 7.038 1.00 0.00 H new ATOM 0 HB2 GLN A 60 14.295 -15.375 4.561 1.00 0.00 H new ATOM 0 HB3 GLN A 60 15.795 -16.265 4.731 1.00 0.00 H new ATOM 0 HG2 GLN A 60 13.463 -16.786 6.584 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.536 -17.527 4.997 1.00 0.00 H new ATOM 0 HE21 GLN A 60 15.114 -17.267 8.163 1.00 0.00 H new ATOM 0 HE22 GLN A 60 16.046 -18.762 8.038 1.00 0.00 H new ATOM 486 N ALA A 61 15.360 -12.978 4.949 1.00 0.00 N ATOM 487 CA ALA A 61 15.928 -11.811 4.282 1.00 0.00 C ATOM 488 C ALA A 61 16.755 -10.958 5.243 1.00 0.00 C ATOM 489 O ALA A 61 16.478 -10.911 6.442 1.00 0.00 O ATOM 490 CB ALA A 61 14.823 -10.976 3.653 1.00 0.00 C ATOM 0 H ALA A 61 14.373 -13.137 4.747 1.00 0.00 H new ATOM 0 HA ALA A 61 16.597 -12.169 3.499 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.259 -10.108 3.158 1.00 0.00 H new ATOM 0 HB2 ALA A 61 14.284 -11.578 2.921 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.133 -10.643 4.428 1.00 0.00 H new ATOM 496 N PRO A 62 17.788 -10.272 4.724 1.00 0.00 N ATOM 497 CA PRO A 62 18.660 -9.418 5.535 1.00 0.00 C ATOM 498 C PRO A 62 17.981 -8.114 5.940 1.00 0.00 C ATOM 499 O PRO A 62 17.001 -7.696 5.323 1.00 0.00 O ATOM 500 CB PRO A 62 19.840 -9.138 4.604 1.00 0.00 C ATOM 501 CG PRO A 62 19.265 -9.227 3.234 1.00 0.00 C ATOM 502 CD PRO A 62 18.186 -10.275 3.302 1.00 0.00 C ATOM 0 HA PRO A 62 18.941 -9.895 6.474 1.00 0.00 H new ATOM 0 HB2 PRO A 62 20.268 -8.153 4.791 1.00 0.00 H new ATOM 0 HB3 PRO A 62 20.639 -9.865 4.747 1.00 0.00 H new ATOM 0 HG2 PRO A 62 18.856 -8.267 2.920 1.00 0.00 H new ATOM 0 HG3 PRO A 62 20.030 -9.501 2.507 1.00 0.00 H new ATOM 0 HD2 PRO A 62 17.347 -10.030 2.650 1.00 0.00 H new ATOM 0 HD3 PRO A 62 18.556 -11.252 2.991 1.00 0.00 H new ATOM 510 N GLN A 63 18.508 -7.474 6.981 1.00 0.00 N ATOM 511 CA GLN A 63 17.954 -6.215 7.471 1.00 0.00 C ATOM 512 C GLN A 63 17.701 -5.239 6.324 1.00 0.00 C ATOM 513 O GLN A 63 16.798 -4.406 6.393 1.00 0.00 O ATOM 514 CB GLN A 63 18.899 -5.583 8.496 1.00 0.00 C ATOM 515 CG GLN A 63 20.237 -5.157 7.913 1.00 0.00 C ATOM 516 CD GLN A 63 21.391 -6.001 8.418 1.00 0.00 C ATOM 517 OE1 GLN A 63 21.439 -6.368 9.592 1.00 0.00 O ATOM 518 NE2 GLN A 63 22.329 -6.313 7.531 1.00 0.00 N ATOM 0 H GLN A 63 19.319 -7.807 7.502 1.00 0.00 H new ATOM 0 HA GLN A 63 16.999 -6.433 7.950 1.00 0.00 H new ATOM 0 HB2 GLN A 63 18.412 -4.714 8.938 1.00 0.00 H new ATOM 0 HB3 GLN A 63 19.074 -6.295 9.303 1.00 0.00 H new ATOM 0 HG2 GLN A 63 20.192 -5.223 6.826 1.00 0.00 H new ATOM 0 HG3 GLN A 63 20.421 -4.112 8.162 1.00 0.00 H new ATOM 0 HE21 GLN A 63 22.249 -5.987 6.568 1.00 0.00 H new ATOM 0 HE22 GLN A 63 23.130 -6.878 7.813 1.00 0.00 H new ATOM 527 N SER A 64 18.501 -5.352 5.269 1.00 0.00 N ATOM 528 CA SER A 64 18.360 -4.483 4.107 1.00 0.00 C ATOM 529 C SER A 64 17.002 -4.686 3.444 1.00 0.00 C ATOM 530 O SER A 64 16.338 -3.725 3.057 1.00 0.00 O ATOM 531 CB SER A 64 19.480 -4.756 3.101 1.00 0.00 C ATOM 532 OG SER A 64 20.754 -4.639 3.710 1.00 0.00 O ATOM 0 H SER A 64 19.253 -6.037 5.195 1.00 0.00 H new ATOM 0 HA SER A 64 18.431 -3.449 4.443 1.00 0.00 H new ATOM 0 HB2 SER A 64 19.363 -5.757 2.685 1.00 0.00 H new ATOM 0 HB3 SER A 64 19.405 -4.055 2.270 1.00 0.00 H new ATOM 0 HG SER A 64 21.452 -4.820 3.046 1.00 0.00 H new ATOM 538 N LEU A 65 16.595 -5.945 3.322 1.00 0.00 N ATOM 539 CA LEU A 65 15.314 -6.279 2.711 1.00 0.00 C ATOM 540 C LEU A 65 14.161 -5.880 3.626 1.00 0.00 C ATOM 541 O LEU A 65 13.083 -5.511 3.159 1.00 0.00 O ATOM 542 CB LEU A 65 15.247 -7.778 2.410 1.00 0.00 C ATOM 543 CG LEU A 65 14.543 -8.148 1.103 1.00 0.00 C ATOM 544 CD1 LEU A 65 13.056 -7.836 1.189 1.00 0.00 C ATOM 545 CD2 LEU A 65 15.178 -7.417 -0.070 1.00 0.00 C ATOM 0 H LEU A 65 17.134 -6.751 3.638 1.00 0.00 H new ATOM 0 HA LEU A 65 15.225 -5.724 1.777 1.00 0.00 H new ATOM 0 HB2 LEU A 65 16.263 -8.173 2.382 1.00 0.00 H new ATOM 0 HB3 LEU A 65 14.735 -8.275 3.234 1.00 0.00 H new ATOM 0 HG LEU A 65 14.658 -9.220 0.942 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.573 -8.106 0.250 1.00 0.00 H new ATOM 0 HD12 LEU A 65 12.611 -8.407 2.004 1.00 0.00 H new ATOM 0 HD13 LEU A 65 12.918 -6.771 1.375 1.00 0.00 H new ATOM 0 HD21 LEU A 65 14.665 -7.692 -0.991 1.00 0.00 H new ATOM 0 HD22 LEU A 65 15.095 -6.341 0.084 1.00 0.00 H new ATOM 0 HD23 LEU A 65 16.230 -7.693 -0.144 1.00 0.00 H new ATOM 557 N ARG A 66 14.398 -5.954 4.932 1.00 0.00 N ATOM 558 CA ARG A 66 13.382 -5.599 5.915 1.00 0.00 C ATOM 559 C ARG A 66 13.234 -4.084 6.019 1.00 0.00 C ATOM 560 O ARG A 66 12.143 -3.572 6.266 1.00 0.00 O ATOM 561 CB ARG A 66 13.741 -6.183 7.283 1.00 0.00 C ATOM 562 CG ARG A 66 14.023 -7.676 7.250 1.00 0.00 C ATOM 563 CD ARG A 66 14.702 -8.144 8.527 1.00 0.00 C ATOM 564 NE ARG A 66 15.240 -9.496 8.398 1.00 0.00 N ATOM 565 CZ ARG A 66 16.170 -10.005 9.202 1.00 0.00 C ATOM 566 NH1 ARG A 66 16.669 -9.278 10.194 1.00 0.00 N ATOM 567 NH2 ARG A 66 16.602 -11.245 9.015 1.00 0.00 N ATOM 0 H ARG A 66 15.285 -6.257 5.334 1.00 0.00 H new ATOM 0 HA ARG A 66 12.431 -6.018 5.587 1.00 0.00 H new ATOM 0 HB2 ARG A 66 14.617 -5.664 7.672 1.00 0.00 H new ATOM 0 HB3 ARG A 66 12.923 -5.991 7.977 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.089 -8.221 7.113 1.00 0.00 H new ATOM 0 HG3 ARG A 66 14.656 -7.909 6.394 1.00 0.00 H new ATOM 0 HD2 ARG A 66 15.508 -7.456 8.782 1.00 0.00 H new ATOM 0 HD3 ARG A 66 13.987 -8.116 9.349 1.00 0.00 H new ATOM 0 HE ARG A 66 14.881 -10.085 7.647 1.00 0.00 H new ATOM 0 HH11 ARG A 66 16.340 -8.324 10.343 1.00 0.00 H new ATOM 0 HH12 ARG A 66 17.382 -9.673 10.807 1.00 0.00 H new ATOM 0 HH21 ARG A 66 16.221 -11.808 8.255 1.00 0.00 H new ATOM 0 HH22 ARG A 66 17.315 -11.635 9.631 1.00 0.00 H new ATOM 581 N ASN A 67 14.340 -3.372 5.826 1.00 0.00 N ATOM 582 CA ASN A 67 14.333 -1.916 5.895 1.00 0.00 C ATOM 583 C ASN A 67 13.369 -1.331 4.869 1.00 0.00 C ATOM 584 O ASN A 67 12.566 -0.453 5.185 1.00 0.00 O ATOM 585 CB ASN A 67 15.742 -1.366 5.662 1.00 0.00 C ATOM 586 CG ASN A 67 16.565 -1.326 6.935 1.00 0.00 C ATOM 587 OD1 ASN A 67 17.686 -2.037 6.938 1.00 0.00 O flip ATOM 588 ND2 ASN A 67 16.197 -0.663 7.905 1.00 0.00 N flip ATOM 0 H ASN A 67 15.252 -3.780 5.621 1.00 0.00 H new ATOM 0 HA ASN A 67 13.999 -1.624 6.891 1.00 0.00 H new ATOM 0 HB2 ASN A 67 16.252 -1.983 4.922 1.00 0.00 H new ATOM 0 HB3 ASN A 67 15.673 -0.361 5.246 1.00 0.00 H new ATOM 0 HD21 ASN A 67 15.328 -0.131 7.859 1.00 0.00 H new ATOM 0 HD22 ASN A 67 16.761 -0.646 8.755 1.00 0.00 H new ATOM 595 N ARG A 68 13.453 -1.826 3.638 1.00 0.00 N ATOM 596 CA ARG A 68 12.586 -1.357 2.563 1.00 0.00 C ATOM 597 C ARG A 68 11.152 -1.833 2.775 1.00 0.00 C ATOM 598 O ARG A 68 10.201 -1.188 2.332 1.00 0.00 O ATOM 599 CB ARG A 68 13.106 -1.850 1.211 1.00 0.00 C ATOM 600 CG ARG A 68 13.073 -3.354 1.056 1.00 0.00 C ATOM 601 CD ARG A 68 13.584 -3.764 -0.310 1.00 0.00 C ATOM 602 NE ARG A 68 12.740 -3.254 -1.389 1.00 0.00 N ATOM 603 CZ ARG A 68 12.810 -3.679 -2.648 1.00 0.00 C ATOM 604 NH1 ARG A 68 13.681 -4.621 -2.991 1.00 0.00 N ATOM 605 NH2 ARG A 68 12.007 -3.161 -3.568 1.00 0.00 N ATOM 0 H ARG A 68 14.113 -2.552 3.360 1.00 0.00 H new ATOM 0 HA ARG A 68 12.592 -0.267 2.572 1.00 0.00 H new ATOM 0 HB2 ARG A 68 12.511 -1.399 0.417 1.00 0.00 H new ATOM 0 HB3 ARG A 68 14.131 -1.503 1.078 1.00 0.00 H new ATOM 0 HG2 ARG A 68 13.682 -3.818 1.832 1.00 0.00 H new ATOM 0 HG3 ARG A 68 12.054 -3.716 1.192 1.00 0.00 H new ATOM 0 HD2 ARG A 68 14.601 -3.396 -0.441 1.00 0.00 H new ATOM 0 HD3 ARG A 68 13.629 -4.852 -0.368 1.00 0.00 H new ATOM 0 HE ARG A 68 12.058 -2.530 -1.164 1.00 0.00 H new ATOM 0 HH11 ARG A 68 14.301 -5.023 -2.288 1.00 0.00 H new ATOM 0 HH12 ARG A 68 13.730 -4.943 -3.958 1.00 0.00 H new ATOM 0 HH21 ARG A 68 11.336 -2.437 -3.310 1.00 0.00 H new ATOM 0 HH22 ARG A 68 12.060 -3.487 -4.533 1.00 0.00 H new ATOM 619 N TYR A 69 11.004 -2.967 3.454 1.00 0.00 N ATOM 620 CA TYR A 69 9.687 -3.533 3.726 1.00 0.00 C ATOM 621 C TYR A 69 8.811 -2.542 4.487 1.00 0.00 C ATOM 622 O TYR A 69 7.774 -2.104 3.989 1.00 0.00 O ATOM 623 CB TYR A 69 9.828 -4.830 4.527 1.00 0.00 C ATOM 624 CG TYR A 69 8.508 -5.486 4.864 1.00 0.00 C ATOM 625 CD1 TYR A 69 7.676 -4.955 5.842 1.00 0.00 C ATOM 626 CD2 TYR A 69 8.097 -6.639 4.207 1.00 0.00 C ATOM 627 CE1 TYR A 69 6.470 -5.554 6.154 1.00 0.00 C ATOM 628 CE2 TYR A 69 6.892 -7.243 4.513 1.00 0.00 C ATOM 629 CZ TYR A 69 6.083 -6.697 5.487 1.00 0.00 C ATOM 630 OH TYR A 69 4.883 -7.296 5.796 1.00 0.00 O ATOM 0 H TYR A 69 11.781 -3.513 3.826 1.00 0.00 H new ATOM 0 HA TYR A 69 9.207 -3.750 2.772 1.00 0.00 H new ATOM 0 HB2 TYR A 69 10.438 -5.533 3.959 1.00 0.00 H new ATOM 0 HB3 TYR A 69 10.364 -4.618 5.452 1.00 0.00 H new ATOM 0 HD1 TYR A 69 7.976 -4.060 6.367 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.729 -7.070 3.445 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.834 -5.129 6.916 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.586 -8.138 3.992 1.00 0.00 H new ATOM 0 HH TYR A 69 4.151 -6.665 5.633 1.00 0.00 H new ATOM 640 N ASN A 70 9.233 -2.197 5.699 1.00 0.00 N ATOM 641 CA ASN A 70 8.485 -1.261 6.532 1.00 0.00 C ATOM 642 C ASN A 70 8.510 0.144 5.938 1.00 0.00 C ATOM 643 O ASN A 70 7.578 0.925 6.129 1.00 0.00 O ATOM 644 CB ASN A 70 9.060 -1.237 7.949 1.00 0.00 C ATOM 645 CG ASN A 70 8.682 -2.469 8.747 1.00 0.00 C ATOM 646 OD1 ASN A 70 7.777 -2.430 9.581 1.00 0.00 O ATOM 647 ND2 ASN A 70 9.376 -3.573 8.495 1.00 0.00 N ATOM 0 H ASN A 70 10.089 -2.551 6.127 1.00 0.00 H new ATOM 0 HA ASN A 70 7.449 -1.599 6.571 1.00 0.00 H new ATOM 0 HB2 ASN A 70 10.146 -1.161 7.896 1.00 0.00 H new ATOM 0 HB3 ASN A 70 8.703 -0.348 8.468 1.00 0.00 H new ATOM 0 HD21 ASN A 70 9.167 -4.433 9.001 1.00 0.00 H new ATOM 0 HD22 ASN A 70 10.118 -3.560 7.795 1.00 0.00 H new ATOM 654 N ASN A 71 9.583 0.461 5.220 1.00 0.00 N ATOM 655 CA ASN A 71 9.727 1.774 4.602 1.00 0.00 C ATOM 656 C ASN A 71 8.621 2.024 3.581 1.00 0.00 C ATOM 657 O ASN A 71 7.811 2.938 3.739 1.00 0.00 O ATOM 658 CB ASN A 71 11.095 1.897 3.929 1.00 0.00 C ATOM 659 CG ASN A 71 11.391 3.313 3.475 1.00 0.00 C ATOM 660 OD1 ASN A 71 10.486 4.058 3.098 1.00 0.00 O ATOM 661 ND2 ASN A 71 12.663 3.691 3.507 1.00 0.00 N ATOM 0 H ASN A 71 10.364 -0.173 5.052 1.00 0.00 H new ATOM 0 HA ASN A 71 9.646 2.526 5.387 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.869 1.572 4.624 1.00 0.00 H new ATOM 0 HB3 ASN A 71 11.136 1.227 3.070 1.00 0.00 H new ATOM 0 HD21 ASN A 71 12.923 4.632 3.212 1.00 0.00 H new ATOM 0 HD22 ASN A 71 13.380 3.040 3.827 1.00 0.00 H new ATOM 668 N LEU A 72 8.593 1.208 2.533 1.00 0.00 N ATOM 669 CA LEU A 72 7.587 1.344 1.486 1.00 0.00 C ATOM 670 C LEU A 72 6.179 1.210 2.058 1.00 0.00 C ATOM 671 O LEU A 72 5.269 1.941 1.667 1.00 0.00 O ATOM 672 CB LEU A 72 7.808 0.296 0.393 1.00 0.00 C ATOM 673 CG LEU A 72 7.576 -1.153 0.825 1.00 0.00 C ATOM 674 CD1 LEU A 72 6.095 -1.501 0.760 1.00 0.00 C ATOM 675 CD2 LEU A 72 8.388 -2.103 -0.044 1.00 0.00 C ATOM 0 H LEU A 72 9.255 0.446 2.386 1.00 0.00 H new ATOM 0 HA LEU A 72 7.689 2.338 1.051 1.00 0.00 H new ATOM 0 HB2 LEU A 72 7.145 0.520 -0.443 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.829 0.389 0.023 1.00 0.00 H new ATOM 0 HG LEU A 72 7.907 -1.262 1.858 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.950 -2.536 1.071 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.537 -0.841 1.424 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.736 -1.376 -0.262 1.00 0.00 H new ATOM 0 HD21 LEU A 72 8.212 -3.130 0.276 1.00 0.00 H new ATOM 0 HD22 LEU A 72 8.087 -1.991 -1.085 1.00 0.00 H new ATOM 0 HD23 LEU A 72 9.448 -1.869 0.054 1.00 0.00 H new ATOM 687 N TYR A 73 6.005 0.272 2.983 1.00 0.00 N ATOM 688 CA TYR A 73 4.704 0.048 3.601 1.00 0.00 C ATOM 689 C TYR A 73 4.340 1.191 4.542 1.00 0.00 C ATOM 690 O TYR A 73 3.165 1.508 4.722 1.00 0.00 O ATOM 691 CB TYR A 73 4.691 -1.279 4.362 1.00 0.00 C ATOM 692 CG TYR A 73 3.300 -1.759 4.716 1.00 0.00 C ATOM 693 CD1 TYR A 73 2.247 -1.622 3.819 1.00 0.00 C ATOM 694 CD2 TYR A 73 3.040 -2.347 5.947 1.00 0.00 C ATOM 695 CE1 TYR A 73 0.976 -2.057 4.139 1.00 0.00 C ATOM 696 CE2 TYR A 73 1.770 -2.785 6.274 1.00 0.00 C ATOM 697 CZ TYR A 73 0.742 -2.637 5.367 1.00 0.00 C ATOM 698 OH TYR A 73 -0.523 -3.071 5.690 1.00 0.00 O ATOM 0 H TYR A 73 6.746 -0.343 3.320 1.00 0.00 H new ATOM 0 HA TYR A 73 3.960 0.007 2.805 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.186 -2.040 3.759 1.00 0.00 H new ATOM 0 HB3 TYR A 73 5.273 -1.169 5.277 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.426 -1.168 2.856 1.00 0.00 H new ATOM 0 HD2 TYR A 73 3.843 -2.464 6.660 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.169 -1.943 3.430 1.00 0.00 H new ATOM 0 HE2 TYR A 73 1.584 -3.241 7.235 1.00 0.00 H new ATOM 0 HH TYR A 73 -0.889 -3.595 4.947 1.00 0.00 H new ATOM 708 N SER A 74 5.355 1.811 5.139 1.00 0.00 N ATOM 709 CA SER A 74 5.133 2.923 6.058 1.00 0.00 C ATOM 710 C SER A 74 4.301 4.013 5.391 1.00 0.00 C ATOM 711 O SER A 74 3.386 4.571 5.997 1.00 0.00 O ATOM 712 CB SER A 74 6.471 3.498 6.531 1.00 0.00 C ATOM 713 OG SER A 74 6.747 3.114 7.867 1.00 0.00 O ATOM 0 H SER A 74 6.335 1.563 5.003 1.00 0.00 H new ATOM 0 HA SER A 74 4.585 2.548 6.923 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.271 3.151 5.877 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.449 4.585 6.459 1.00 0.00 H new ATOM 0 HG SER A 74 7.128 2.211 7.876 1.00 0.00 H new ATOM 719 N HIS A 75 4.621 4.303 4.134 1.00 0.00 N ATOM 720 CA HIS A 75 3.900 5.319 3.377 1.00 0.00 C ATOM 721 C HIS A 75 2.563 4.777 2.878 1.00 0.00 C ATOM 722 O HIS A 75 1.636 5.540 2.604 1.00 0.00 O ATOM 723 CB HIS A 75 4.745 5.796 2.194 1.00 0.00 C ATOM 724 CG HIS A 75 6.026 6.455 2.602 1.00 0.00 C ATOM 725 ND1 HIS A 75 6.818 6.260 3.684 1.00 0.00 N flip ATOM 726 CD2 HIS A 75 6.632 7.449 1.861 1.00 0.00 C flip ATOM 727 CE1 HIS A 75 7.875 7.129 3.576 1.00 0.00 C flip ATOM 728 NE2 HIS A 75 7.740 7.835 2.468 1.00 0.00 N flip ATOM 0 H HIS A 75 5.375 3.849 3.619 1.00 0.00 H new ATOM 0 HA HIS A 75 3.705 6.163 4.039 1.00 0.00 H new ATOM 0 HB2 HIS A 75 4.972 4.944 1.553 1.00 0.00 H new ATOM 0 HB3 HIS A 75 4.159 6.496 1.598 1.00 0.00 H new ATOM 0 HD2 HIS A 75 6.259 7.849 0.930 1.00 0.00 H new ATOM 0 HE1 HIS A 75 8.686 7.221 4.283 1.00 0.00 H new ATOM 0 HE2 HIS A 75 8.382 8.555 2.137 1.00 0.00 H new ATOM 737 N THR A 76 2.469 3.455 2.763 1.00 0.00 N ATOM 738 CA THR A 76 1.245 2.812 2.298 1.00 0.00 C ATOM 739 C THR A 76 0.205 2.749 3.414 1.00 0.00 C ATOM 740 O THR A 76 -0.999 2.802 3.159 1.00 0.00 O ATOM 741 CB THR A 76 1.547 1.403 1.790 1.00 0.00 C ATOM 742 OG1 THR A 76 2.482 1.443 0.726 1.00 0.00 O ATOM 743 CG2 THR A 76 0.320 0.669 1.296 1.00 0.00 C ATOM 0 H THR A 76 3.226 2.809 2.986 1.00 0.00 H new ATOM 0 HA THR A 76 0.840 3.408 1.480 1.00 0.00 H new ATOM 0 HB THR A 76 1.949 0.866 2.649 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.381 1.594 1.086 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.605 -0.324 0.950 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.401 0.577 2.109 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.130 1.225 0.473 1.00 0.00 H new ATOM 751 N GLN A 77 0.677 2.629 4.649 1.00 0.00 N ATOM 752 CA GLN A 77 -0.212 2.552 5.803 1.00 0.00 C ATOM 753 C GLN A 77 -0.764 3.928 6.167 1.00 0.00 C ATOM 754 O GLN A 77 -1.855 4.041 6.725 1.00 0.00 O ATOM 755 CB GLN A 77 0.526 1.955 7.002 1.00 0.00 C ATOM 756 CG GLN A 77 0.906 0.495 6.817 1.00 0.00 C ATOM 757 CD GLN A 77 1.361 -0.157 8.109 1.00 0.00 C ATOM 758 OE1 GLN A 77 0.699 -1.053 8.631 1.00 0.00 O ATOM 759 NE2 GLN A 77 2.496 0.292 8.630 1.00 0.00 N ATOM 0 H GLN A 77 1.670 2.583 4.878 1.00 0.00 H new ATOM 0 HA GLN A 77 -1.049 1.906 5.538 1.00 0.00 H new ATOM 0 HB2 GLN A 77 1.429 2.536 7.188 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -0.102 2.049 7.888 1.00 0.00 H new ATOM 0 HG2 GLN A 77 0.051 -0.052 6.420 1.00 0.00 H new ATOM 0 HG3 GLN A 77 1.703 0.422 6.077 1.00 0.00 H new ATOM 0 HE21 GLN A 77 3.012 1.037 8.162 1.00 0.00 H new ATOM 0 HE22 GLN A 77 2.852 -0.108 9.498 1.00 0.00 H new ATOM 768 N ARG A 78 -0.003 4.973 5.853 1.00 0.00 N ATOM 769 CA ARG A 78 -0.421 6.338 6.156 1.00 0.00 C ATOM 770 C ARG A 78 -1.232 6.937 5.009 1.00 0.00 C ATOM 771 O ARG A 78 -2.140 7.737 5.232 1.00 0.00 O ATOM 772 CB ARG A 78 0.800 7.214 6.449 1.00 0.00 C ATOM 773 CG ARG A 78 1.673 7.476 5.232 1.00 0.00 C ATOM 774 CD ARG A 78 1.414 8.854 4.645 1.00 0.00 C ATOM 775 NE ARG A 78 2.646 9.500 4.197 1.00 0.00 N ATOM 776 CZ ARG A 78 3.232 9.251 3.028 1.00 0.00 C ATOM 777 NH1 ARG A 78 2.705 8.370 2.187 1.00 0.00 N ATOM 778 NH2 ARG A 78 4.350 9.884 2.700 1.00 0.00 N ATOM 0 H ARG A 78 0.903 4.901 5.390 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.058 6.305 7.040 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.462 8.168 6.855 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.403 6.735 7.221 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.723 7.390 5.511 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.481 6.715 4.475 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.725 8.766 3.805 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.927 9.481 5.392 1.00 0.00 H new ATOM 0 HE ARG A 78 3.083 10.182 4.817 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.846 7.879 2.435 1.00 0.00 H new ATOM 0 HH12 ARG A 78 3.159 8.184 1.293 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.760 10.561 3.343 1.00 0.00 H new ATOM 0 HH22 ARG A 78 4.800 9.694 1.804 1.00 0.00 H new ATOM 792 N THR A 79 -0.897 6.549 3.782 1.00 0.00 N ATOM 793 CA THR A 79 -1.595 7.056 2.605 1.00 0.00 C ATOM 794 C THR A 79 -3.038 6.563 2.568 1.00 0.00 C ATOM 795 O THR A 79 -3.961 7.333 2.300 1.00 0.00 O ATOM 796 CB THR A 79 -0.866 6.630 1.328 1.00 0.00 C ATOM 797 OG1 THR A 79 -1.430 7.264 0.194 1.00 0.00 O ATOM 798 CG2 THR A 79 -0.902 5.138 1.084 1.00 0.00 C ATOM 0 H THR A 79 -0.149 5.887 3.577 1.00 0.00 H new ATOM 0 HA THR A 79 -1.605 8.144 2.664 1.00 0.00 H new ATOM 0 HB THR A 79 0.171 6.931 1.476 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.153 6.709 -0.166 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.367 4.907 0.163 1.00 0.00 H new ATOM 0 HG22 THR A 79 -0.428 4.621 1.919 1.00 0.00 H new ATOM 0 HG23 THR A 79 -1.937 4.809 0.994 1.00 0.00 H new ATOM 806 N LEU A 80 -3.226 5.274 2.835 1.00 0.00 N ATOM 807 CA LEU A 80 -4.557 4.678 2.829 1.00 0.00 C ATOM 808 C LEU A 80 -5.489 5.400 3.799 1.00 0.00 C ATOM 809 O LEU A 80 -6.673 5.584 3.516 1.00 0.00 O ATOM 810 CB LEU A 80 -4.476 3.195 3.195 1.00 0.00 C ATOM 811 CG LEU A 80 -3.790 2.304 2.157 1.00 0.00 C ATOM 812 CD1 LEU A 80 -3.251 1.041 2.810 1.00 0.00 C ATOM 813 CD2 LEU A 80 -4.756 1.958 1.040 1.00 0.00 C ATOM 0 H LEU A 80 -2.473 4.623 3.058 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.964 4.779 1.823 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.943 3.099 4.141 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.487 2.822 3.359 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.950 2.852 1.730 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.767 0.420 2.056 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.527 1.310 3.579 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.073 0.487 3.263 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.255 1.324 0.309 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.614 1.428 1.452 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.094 2.874 0.555 1.00 0.00 H new ATOM 825 N ASP A 81 -4.947 5.805 4.943 1.00 0.00 N ATOM 826 CA ASP A 81 -5.732 6.505 5.956 1.00 0.00 C ATOM 827 C ASP A 81 -6.353 7.777 5.386 1.00 0.00 C ATOM 828 O ASP A 81 -7.508 8.095 5.669 1.00 0.00 O ATOM 829 CB ASP A 81 -4.856 6.848 7.162 1.00 0.00 C ATOM 830 CG ASP A 81 -5.641 6.870 8.459 1.00 0.00 C ATOM 831 OD1 ASP A 81 -6.541 7.726 8.593 1.00 0.00 O ATOM 832 OD2 ASP A 81 -5.356 6.032 9.339 1.00 0.00 O ATOM 0 H ASP A 81 -3.969 5.661 5.193 1.00 0.00 H new ATOM 0 HA ASP A 81 -6.537 5.843 6.275 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.050 6.119 7.241 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -4.391 7.821 7.005 1.00 0.00 H new ATOM 837 N MET A 82 -5.579 8.500 4.584 1.00 0.00 N ATOM 838 CA MET A 82 -6.054 9.737 3.975 1.00 0.00 C ATOM 839 C MET A 82 -7.259 9.477 3.075 1.00 0.00 C ATOM 840 O MET A 82 -8.087 10.362 2.859 1.00 0.00 O ATOM 841 CB MET A 82 -4.933 10.396 3.169 1.00 0.00 C ATOM 842 CG MET A 82 -3.802 10.935 4.029 1.00 0.00 C ATOM 843 SD MET A 82 -2.664 11.983 3.103 1.00 0.00 S ATOM 844 CE MET A 82 -1.851 10.768 2.069 1.00 0.00 C ATOM 0 H MET A 82 -4.620 8.251 4.341 1.00 0.00 H new ATOM 0 HA MET A 82 -6.362 10.410 4.775 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.528 9.670 2.464 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.352 11.212 2.580 1.00 0.00 H new ATOM 0 HG2 MET A 82 -4.221 11.505 4.858 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.251 10.100 4.462 1.00 0.00 H new ATOM 0 HE1 MET A 82 -1.456 11.255 1.178 1.00 0.00 H new ATOM 0 HE2 MET A 82 -1.034 10.307 2.623 1.00 0.00 H new ATOM 0 HE3 MET A 82 -2.568 10.001 1.776 1.00 0.00 H new ATOM 854 N ALA A 83 -7.349 8.260 2.548 1.00 0.00 N ATOM 855 CA ALA A 83 -8.450 7.887 1.669 1.00 0.00 C ATOM 856 C ALA A 83 -9.745 7.687 2.452 1.00 0.00 C ATOM 857 O ALA A 83 -10.836 7.841 1.906 1.00 0.00 O ATOM 858 CB ALA A 83 -8.101 6.626 0.894 1.00 0.00 C ATOM 0 H ALA A 83 -6.672 7.516 2.715 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.608 8.704 0.965 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -8.932 6.358 0.241 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.210 6.804 0.292 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.911 5.811 1.592 1.00 0.00 H new ATOM 864 N ASP A 84 -9.618 7.341 3.730 1.00 0.00 N ATOM 865 CA ASP A 84 -10.784 7.118 4.581 1.00 0.00 C ATOM 866 C ASP A 84 -11.124 8.369 5.386 1.00 0.00 C ATOM 867 O ASP A 84 -11.494 8.283 6.557 1.00 0.00 O ATOM 868 CB ASP A 84 -10.530 5.942 5.527 1.00 0.00 C ATOM 869 CG ASP A 84 -11.763 5.083 5.725 1.00 0.00 C ATOM 870 OD1 ASP A 84 -12.138 4.357 4.781 1.00 0.00 O ATOM 871 OD2 ASP A 84 -12.353 5.137 6.824 1.00 0.00 O ATOM 0 H ASP A 84 -8.722 7.209 4.199 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.632 6.885 3.937 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -9.722 5.327 5.129 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -10.196 6.322 6.493 1.00 0.00 H new ATOM 876 N MET A 85 -10.995 9.530 4.752 1.00 0.00 N ATOM 877 CA MET A 85 -11.287 10.797 5.415 1.00 0.00 C ATOM 878 C MET A 85 -12.206 11.671 4.567 1.00 0.00 C ATOM 879 O MET A 85 -13.182 12.230 5.066 1.00 0.00 O ATOM 880 CB MET A 85 -9.988 11.549 5.712 1.00 0.00 C ATOM 881 CG MET A 85 -8.978 10.732 6.501 1.00 0.00 C ATOM 882 SD MET A 85 -8.109 11.710 7.741 1.00 0.00 S ATOM 883 CE MET A 85 -6.479 11.817 7.007 1.00 0.00 C ATOM 0 H MET A 85 -10.691 9.620 3.783 1.00 0.00 H new ATOM 0 HA MET A 85 -11.799 10.572 6.351 1.00 0.00 H new ATOM 0 HB2 MET A 85 -9.535 11.860 4.771 1.00 0.00 H new ATOM 0 HB3 MET A 85 -10.223 12.457 6.268 1.00 0.00 H new ATOM 0 HG2 MET A 85 -9.490 9.904 6.991 1.00 0.00 H new ATOM 0 HG3 MET A 85 -8.253 10.297 5.814 1.00 0.00 H new ATOM 0 HE1 MET A 85 -5.839 12.439 7.632 1.00 0.00 H new ATOM 0 HE2 MET A 85 -6.049 10.818 6.928 1.00 0.00 H new ATOM 0 HE3 MET A 85 -6.556 12.259 6.014 1.00 0.00 H new ATOM 893 N GLN A 86 -11.874 11.796 3.284 1.00 0.00 N ATOM 894 CA GLN A 86 -12.651 12.614 2.353 1.00 0.00 C ATOM 895 C GLN A 86 -14.156 12.417 2.532 1.00 0.00 C ATOM 896 O GLN A 86 -14.860 13.325 2.973 1.00 0.00 O ATOM 897 CB GLN A 86 -12.253 12.289 0.912 1.00 0.00 C ATOM 898 CG GLN A 86 -12.120 13.516 0.026 1.00 0.00 C ATOM 899 CD GLN A 86 -13.256 13.641 -0.971 1.00 0.00 C ATOM 900 OE1 GLN A 86 -13.239 13.015 -2.031 1.00 0.00 O ATOM 901 NE2 GLN A 86 -14.251 14.454 -0.635 1.00 0.00 N ATOM 0 H GLN A 86 -11.066 11.338 2.862 1.00 0.00 H new ATOM 0 HA GLN A 86 -12.427 13.658 2.571 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -11.305 11.751 0.918 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -12.997 11.619 0.481 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -12.090 14.409 0.650 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -11.173 13.471 -0.512 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -14.224 14.953 0.254 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -15.043 14.579 -1.266 1.00 0.00 H new ATOM 910 N HIS A 87 -14.642 11.232 2.178 1.00 0.00 N ATOM 911 CA HIS A 87 -16.070 10.923 2.291 1.00 0.00 C ATOM 912 C HIS A 87 -16.517 10.894 3.751 1.00 0.00 C ATOM 913 O HIS A 87 -16.806 9.830 4.301 1.00 0.00 O ATOM 914 CB HIS A 87 -16.412 9.585 1.615 1.00 0.00 C ATOM 915 CG HIS A 87 -15.237 8.689 1.382 1.00 0.00 C ATOM 916 ND1 HIS A 87 -14.686 8.238 0.233 1.00 0.00 N flip ATOM 917 CD2 HIS A 87 -14.479 8.157 2.404 1.00 0.00 C flip ATOM 918 CE1 HIS A 87 -13.617 7.450 0.576 1.00 0.00 C flip ATOM 919 NE2 HIS A 87 -13.512 7.418 1.891 1.00 0.00 N flip ATOM 0 H HIS A 87 -14.073 10.469 1.811 1.00 0.00 H new ATOM 0 HA HIS A 87 -16.609 11.718 1.776 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -17.139 9.056 2.231 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -16.893 9.788 0.658 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -15.006 8.445 -0.713 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -14.649 8.319 3.458 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -12.966 6.938 -0.118 1.00 0.00 H new ATOM 928 N ARG A 88 -16.578 12.067 4.373 1.00 0.00 N ATOM 929 CA ARG A 88 -16.996 12.171 5.765 1.00 0.00 C ATOM 930 C ARG A 88 -18.433 11.689 5.932 1.00 0.00 C ATOM 931 O ARG A 88 -18.794 11.125 6.965 1.00 0.00 O ATOM 932 CB ARG A 88 -16.873 13.617 6.252 1.00 0.00 C ATOM 933 CG ARG A 88 -15.605 14.313 5.783 1.00 0.00 C ATOM 934 CD ARG A 88 -14.972 15.134 6.895 1.00 0.00 C ATOM 935 NE ARG A 88 -14.527 16.443 6.422 1.00 0.00 N ATOM 936 CZ ARG A 88 -15.338 17.483 6.248 1.00 0.00 C ATOM 937 NH1 ARG A 88 -16.635 17.374 6.505 1.00 0.00 N ATOM 938 NH2 ARG A 88 -14.850 18.638 5.814 1.00 0.00 N ATOM 0 H ARG A 88 -16.343 12.958 3.935 1.00 0.00 H new ATOM 0 HA ARG A 88 -16.342 11.538 6.365 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -17.737 14.183 5.905 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -16.901 13.628 7.342 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -14.891 13.569 5.428 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -15.837 14.962 4.938 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -15.691 15.266 7.703 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -14.123 14.590 7.309 1.00 0.00 H new ATOM 0 HE ARG A 88 -13.536 16.567 6.213 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -17.016 16.489 6.838 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -17.251 18.176 6.369 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -13.854 18.728 5.614 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -15.471 19.436 5.680 1.00 0.00 H new ATOM 952 N TYR A 89 -19.248 11.916 4.907 1.00 0.00 N ATOM 953 CA TYR A 89 -20.647 11.506 4.936 1.00 0.00 C ATOM 954 C TYR A 89 -20.766 9.998 5.132 1.00 0.00 C ATOM 955 O TYR A 89 -21.637 9.523 5.861 1.00 0.00 O ATOM 956 CB TYR A 89 -21.345 11.920 3.639 1.00 0.00 C ATOM 957 CG TYR A 89 -22.769 12.388 3.840 1.00 0.00 C ATOM 958 CD1 TYR A 89 -23.040 13.609 4.445 1.00 0.00 C ATOM 959 CD2 TYR A 89 -23.841 11.610 3.424 1.00 0.00 C ATOM 960 CE1 TYR A 89 -24.339 14.041 4.630 1.00 0.00 C ATOM 961 CE2 TYR A 89 -25.144 12.035 3.604 1.00 0.00 C ATOM 962 CZ TYR A 89 -25.387 13.250 4.208 1.00 0.00 C ATOM 963 OH TYR A 89 -26.683 13.677 4.389 1.00 0.00 O ATOM 0 H TYR A 89 -18.963 12.382 4.045 1.00 0.00 H new ATOM 0 HA TYR A 89 -21.131 12.003 5.777 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -20.772 12.718 3.167 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -21.343 11.076 2.950 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -22.221 14.231 4.776 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -23.654 10.657 2.952 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -24.533 14.993 5.102 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -25.967 11.419 3.273 1.00 0.00 H new ATOM 0 HH TYR A 89 -27.302 13.004 4.036 1.00 0.00 H new ATOM 973 N MET A 90 -19.885 9.251 4.475 1.00 0.00 N ATOM 974 CA MET A 90 -19.891 7.797 4.575 1.00 0.00 C ATOM 975 C MET A 90 -19.027 7.325 5.741 1.00 0.00 C ATOM 976 O MET A 90 -19.405 6.412 6.475 1.00 0.00 O ATOM 977 CB MET A 90 -19.390 7.173 3.271 1.00 0.00 C ATOM 978 CG MET A 90 -20.307 7.425 2.085 1.00 0.00 C ATOM 979 SD MET A 90 -19.896 6.399 0.661 1.00 0.00 S ATOM 980 CE MET A 90 -18.151 6.758 0.476 1.00 0.00 C ATOM 0 H MET A 90 -19.158 9.629 3.868 1.00 0.00 H new ATOM 0 HA MET A 90 -20.917 7.476 4.754 1.00 0.00 H new ATOM 0 HB2 MET A 90 -18.400 7.569 3.045 1.00 0.00 H new ATOM 0 HB3 MET A 90 -19.278 6.098 3.412 1.00 0.00 H new ATOM 0 HG2 MET A 90 -21.338 7.233 2.381 1.00 0.00 H new ATOM 0 HG3 MET A 90 -20.247 8.476 1.801 1.00 0.00 H new ATOM 0 HE1 MET A 90 -17.775 6.281 -0.429 1.00 0.00 H new ATOM 0 HE2 MET A 90 -18.007 7.836 0.404 1.00 0.00 H new ATOM 0 HE3 MET A 90 -17.607 6.376 1.340 1.00 0.00 H new ATOM 990 N THR A 91 -17.864 7.949 5.904 1.00 0.00 N ATOM 991 CA THR A 91 -16.949 7.585 6.981 1.00 0.00 C ATOM 992 C THR A 91 -15.859 8.638 7.158 1.00 0.00 C ATOM 993 O THR A 91 -15.228 9.062 6.189 1.00 0.00 O ATOM 994 CB THR A 91 -16.314 6.224 6.694 1.00 0.00 C ATOM 995 OG1 THR A 91 -15.440 5.848 7.744 1.00 0.00 O ATOM 996 CG2 THR A 91 -15.522 6.194 5.405 1.00 0.00 C ATOM 0 H THR A 91 -17.534 8.707 5.306 1.00 0.00 H new ATOM 0 HA THR A 91 -17.523 7.529 7.906 1.00 0.00 H new ATOM 0 HB THR A 91 -17.148 5.528 6.606 1.00 0.00 H new ATOM 0 HG1 THR A 91 -14.552 5.656 7.377 1.00 0.00 H new ATOM 0 HG21 THR A 91 -15.098 5.200 5.261 1.00 0.00 H new ATOM 0 HG22 THR A 91 -16.179 6.433 4.569 1.00 0.00 H new ATOM 0 HG23 THR A 91 -14.717 6.928 5.455 1.00 0.00 H new ATOM 1004 N GLY A 92 -15.641 9.052 8.402 1.00 0.00 N ATOM 1005 CA GLY A 92 -14.623 10.048 8.688 1.00 0.00 C ATOM 1006 C GLY A 92 -15.106 11.117 9.636 1.00 0.00 C ATOM 1007 O GLY A 92 -14.903 11.015 10.845 1.00 0.00 O ATOM 0 H GLY A 92 -16.151 8.715 9.218 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -13.749 9.556 9.116 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -14.303 10.513 7.755 1.00 0.00 H new ATOM 1011 N ALA A 93 -15.765 12.129 9.076 1.00 0.00 N ATOM 1012 CA ALA A 93 -16.319 13.253 9.837 1.00 0.00 C ATOM 1013 C ALA A 93 -15.654 13.472 11.204 1.00 0.00 C ATOM 1014 O ALA A 93 -16.319 13.847 12.169 1.00 0.00 O ATOM 1015 CB ALA A 93 -17.801 13.010 10.020 1.00 0.00 C ATOM 0 H ALA A 93 -15.932 12.195 8.072 1.00 0.00 H new ATOM 0 HA ALA A 93 -16.124 14.162 9.267 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -18.238 13.834 10.584 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -18.282 12.943 9.044 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -17.952 12.077 10.563 1.00 0.00 H new ATOM 1021 N SER A 94 -14.346 13.237 11.281 1.00 0.00 N ATOM 1022 CA SER A 94 -13.612 13.414 12.529 1.00 0.00 C ATOM 1023 C SER A 94 -12.486 14.429 12.359 1.00 0.00 C ATOM 1024 O SER A 94 -12.247 14.926 11.259 1.00 0.00 O ATOM 1025 CB SER A 94 -13.039 12.076 13.001 1.00 0.00 C ATOM 1026 OG SER A 94 -12.345 11.420 11.954 1.00 0.00 O ATOM 0 H SER A 94 -13.775 12.924 10.496 1.00 0.00 H new ATOM 0 HA SER A 94 -14.307 13.791 13.280 1.00 0.00 H new ATOM 0 HB2 SER A 94 -12.364 12.242 13.841 1.00 0.00 H new ATOM 0 HB3 SER A 94 -13.846 11.438 13.362 1.00 0.00 H new ATOM 0 HG SER A 94 -12.987 11.097 11.288 1.00 0.00 H new ATOM 1032 N GLY A 95 -11.798 14.732 13.455 1.00 0.00 N ATOM 1033 CA GLY A 95 -10.706 15.686 13.404 1.00 0.00 C ATOM 1034 C GLY A 95 -9.604 15.252 12.457 1.00 0.00 C ATOM 1035 O GLY A 95 -8.654 14.582 12.864 1.00 0.00 O ATOM 0 H GLY A 95 -11.977 14.334 14.377 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -11.090 16.657 13.090 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -10.292 15.815 14.404 1.00 0.00 H new ATOM 1039 N ILE A 96 -9.733 15.630 11.189 1.00 0.00 N ATOM 1040 CA ILE A 96 -8.743 15.273 10.180 1.00 0.00 C ATOM 1041 C ILE A 96 -7.748 16.407 9.956 1.00 0.00 C ATOM 1042 O ILE A 96 -7.814 17.445 10.613 1.00 0.00 O ATOM 1043 CB ILE A 96 -9.414 14.921 8.838 1.00 0.00 C ATOM 1044 CG1 ILE A 96 -10.218 16.114 8.316 1.00 0.00 C ATOM 1045 CG2 ILE A 96 -10.309 13.701 8.997 1.00 0.00 C ATOM 1046 CD1 ILE A 96 -10.765 15.909 6.920 1.00 0.00 C ATOM 0 H ILE A 96 -10.514 16.184 10.836 1.00 0.00 H new ATOM 0 HA ILE A 96 -8.211 14.398 10.555 1.00 0.00 H new ATOM 0 HB ILE A 96 -8.637 14.685 8.111 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -11.046 16.310 8.997 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -9.584 17.000 8.323 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -10.776 13.465 8.041 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -9.711 12.852 9.328 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -11.082 13.911 9.736 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -11.324 16.794 6.615 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -9.940 15.743 6.227 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -11.426 15.042 6.912 1.00 0.00 H new ATOM 1058 N ASN A 97 -6.828 16.198 9.019 1.00 0.00 N ATOM 1059 CA ASN A 97 -5.816 17.198 8.697 1.00 0.00 C ATOM 1060 C ASN A 97 -6.465 18.528 8.318 1.00 0.00 C ATOM 1061 O ASN A 97 -7.670 18.592 8.074 1.00 0.00 O ATOM 1062 CB ASN A 97 -4.938 16.704 7.547 1.00 0.00 C ATOM 1063 CG ASN A 97 -5.758 16.278 6.345 1.00 0.00 C ATOM 1064 OD1 ASN A 97 -6.303 17.253 5.626 1.00 0.00 O flip ATOM 1065 ND2 ASN A 97 -5.900 15.088 6.065 1.00 0.00 N flip ATOM 0 H ASN A 97 -6.763 15.342 8.468 1.00 0.00 H new ATOM 0 HA ASN A 97 -5.198 17.355 9.581 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -4.248 17.495 7.253 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -4.333 15.864 7.888 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -5.463 14.372 6.645 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -6.454 14.818 5.253 1.00 0.00 H new ATOM 1072 N PRO A 98 -5.671 19.610 8.262 1.00 0.00 N ATOM 1073 CA PRO A 98 -6.165 20.944 7.912 1.00 0.00 C ATOM 1074 C PRO A 98 -6.441 21.087 6.415 1.00 0.00 C ATOM 1075 O PRO A 98 -5.907 21.981 5.759 1.00 0.00 O ATOM 1076 CB PRO A 98 -5.022 21.885 8.340 1.00 0.00 C ATOM 1077 CG PRO A 98 -4.024 21.025 9.050 1.00 0.00 C ATOM 1078 CD PRO A 98 -4.232 19.630 8.540 1.00 0.00 C ATOM 0 HA PRO A 98 -7.114 21.162 8.401 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -4.572 22.371 7.474 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -5.391 22.675 8.994 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -3.007 21.364 8.851 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -4.170 21.070 10.129 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -3.642 19.432 7.645 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -3.950 18.880 9.280 1.00 0.00 H new ATOM 1086 N GLY A 99 -7.282 20.206 5.880 1.00 0.00 N ATOM 1087 CA GLY A 99 -7.611 20.262 4.467 1.00 0.00 C ATOM 1088 C GLY A 99 -6.651 19.461 3.608 1.00 0.00 C ATOM 1089 O GLY A 99 -5.439 19.669 3.659 1.00 0.00 O ATOM 0 H GLY A 99 -7.740 19.456 6.398 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -8.624 19.887 4.319 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.605 21.301 4.138 1.00 0.00 H new ATOM 1093 N MET A 100 -7.197 18.544 2.815 1.00 0.00 N ATOM 1094 CA MET A 100 -6.387 17.707 1.936 1.00 0.00 C ATOM 1095 C MET A 100 -7.153 17.366 0.662 1.00 0.00 C ATOM 1096 O MET A 100 -8.359 17.120 0.700 1.00 0.00 O ATOM 1097 CB MET A 100 -5.975 16.420 2.658 1.00 0.00 C ATOM 1098 CG MET A 100 -5.211 15.436 1.783 1.00 0.00 C ATOM 1099 SD MET A 100 -5.870 13.759 1.879 1.00 0.00 S ATOM 1100 CE MET A 100 -7.313 13.896 0.826 1.00 0.00 C ATOM 0 H MET A 100 -8.199 18.361 2.763 1.00 0.00 H new ATOM 0 HA MET A 100 -5.490 18.264 1.665 1.00 0.00 H new ATOM 0 HB2 MET A 100 -5.358 16.680 3.518 1.00 0.00 H new ATOM 0 HB3 MET A 100 -6.869 15.930 3.043 1.00 0.00 H new ATOM 0 HG2 MET A 100 -5.244 15.776 0.748 1.00 0.00 H new ATOM 0 HG3 MET A 100 -4.163 15.428 2.083 1.00 0.00 H new ATOM 0 HE1 MET A 100 -8.135 13.325 1.259 1.00 0.00 H new ATOM 0 HE2 MET A 100 -7.603 14.943 0.741 1.00 0.00 H new ATOM 0 HE3 MET A 100 -7.080 13.503 -0.164 1.00 0.00 H new ATOM 1110 N LEU A 101 -6.448 17.345 -0.463 1.00 0.00 N ATOM 1111 CA LEU A 101 -7.068 17.025 -1.742 1.00 0.00 C ATOM 1112 C LEU A 101 -7.279 15.517 -1.871 1.00 0.00 C ATOM 1113 O LEU A 101 -6.380 14.731 -1.571 1.00 0.00 O ATOM 1114 CB LEU A 101 -6.210 17.537 -2.897 1.00 0.00 C ATOM 1115 CG LEU A 101 -5.695 18.970 -2.732 1.00 0.00 C ATOM 1116 CD1 LEU A 101 -4.231 19.067 -3.135 1.00 0.00 C ATOM 1117 CD2 LEU A 101 -6.539 19.937 -3.550 1.00 0.00 C ATOM 0 H LEU A 101 -5.449 17.545 -0.515 1.00 0.00 H new ATOM 0 HA LEU A 101 -8.039 17.519 -1.784 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -5.356 16.871 -3.019 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.793 17.479 -3.816 1.00 0.00 H new ATOM 0 HG LEU A 101 -5.778 19.243 -1.680 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.886 20.093 -3.010 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -3.636 18.405 -2.506 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -4.121 18.772 -4.178 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -6.159 20.950 -3.421 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -6.489 19.662 -4.604 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -7.574 19.892 -3.212 1.00 0.00 H new ATOM 1129 N PRO A 102 -8.475 15.090 -2.315 1.00 0.00 N ATOM 1130 CA PRO A 102 -8.800 13.666 -2.470 1.00 0.00 C ATOM 1131 C PRO A 102 -7.787 12.911 -3.328 1.00 0.00 C ATOM 1132 O PRO A 102 -7.715 11.683 -3.277 1.00 0.00 O ATOM 1133 CB PRO A 102 -10.170 13.683 -3.154 1.00 0.00 C ATOM 1134 CG PRO A 102 -10.761 15.001 -2.794 1.00 0.00 C ATOM 1135 CD PRO A 102 -9.606 15.958 -2.691 1.00 0.00 C ATOM 0 HA PRO A 102 -8.789 13.149 -1.510 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -10.074 13.575 -4.234 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -10.796 12.861 -2.806 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -11.473 15.329 -3.551 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -11.303 14.941 -1.850 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -9.423 16.470 -3.636 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -9.788 16.728 -1.941 1.00 0.00 H new ATOM 1143 N HIS A 103 -7.009 13.642 -4.120 1.00 0.00 N ATOM 1144 CA HIS A 103 -6.012 13.022 -4.985 1.00 0.00 C ATOM 1145 C HIS A 103 -4.678 12.832 -4.258 1.00 0.00 C ATOM 1146 O HIS A 103 -3.769 12.182 -4.775 1.00 0.00 O ATOM 1147 CB HIS A 103 -5.822 13.854 -6.260 1.00 0.00 C ATOM 1148 CG HIS A 103 -4.779 14.926 -6.149 1.00 0.00 C ATOM 1149 ND1 HIS A 103 -3.473 14.933 -6.508 1.00 0.00 N flip ATOM 1150 CD2 HIS A 103 -5.033 16.172 -5.615 1.00 0.00 C flip ATOM 1151 CE1 HIS A 103 -2.968 16.169 -6.188 1.00 0.00 C flip ATOM 1152 NE2 HIS A 103 -3.929 16.898 -5.651 1.00 0.00 N flip ATOM 0 H HIS A 103 -7.049 14.659 -4.181 1.00 0.00 H new ATOM 0 HA HIS A 103 -6.377 12.033 -5.263 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -5.554 13.186 -7.079 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -6.774 14.315 -6.524 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -2.960 14.163 -6.937 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -5.985 16.503 -5.228 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -1.950 16.492 -6.349 1.00 0.00 H new ATOM 1161 N GLU A 104 -4.563 13.399 -3.060 1.00 0.00 N ATOM 1162 CA GLU A 104 -3.337 13.282 -2.278 1.00 0.00 C ATOM 1163 C GLU A 104 -3.123 11.843 -1.818 1.00 0.00 C ATOM 1164 O GLU A 104 -1.991 11.365 -1.747 1.00 0.00 O ATOM 1165 CB GLU A 104 -3.390 14.212 -1.065 1.00 0.00 C ATOM 1166 CG GLU A 104 -3.199 15.678 -1.415 1.00 0.00 C ATOM 1167 CD GLU A 104 -1.814 16.186 -1.064 1.00 0.00 C ATOM 1168 OE1 GLU A 104 -0.862 15.378 -1.087 1.00 0.00 O ATOM 1169 OE2 GLU A 104 -1.681 17.392 -0.768 1.00 0.00 O ATOM 0 H GLU A 104 -5.301 13.942 -2.612 1.00 0.00 H new ATOM 0 HA GLU A 104 -2.501 13.572 -2.914 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -4.350 14.089 -0.564 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -2.619 13.913 -0.354 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -3.374 15.819 -2.482 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -3.945 16.274 -0.888 1.00 0.00 H new ATOM 1176 N ASN A 105 -4.218 11.160 -1.505 1.00 0.00 N ATOM 1177 CA ASN A 105 -4.152 9.774 -1.049 1.00 0.00 C ATOM 1178 C ASN A 105 -3.947 8.819 -2.221 1.00 0.00 C ATOM 1179 O ASN A 105 -3.071 7.955 -2.181 1.00 0.00 O ATOM 1180 CB ASN A 105 -5.425 9.399 -0.286 1.00 0.00 C ATOM 1181 CG ASN A 105 -6.687 9.862 -0.988 1.00 0.00 C ATOM 1182 OD1 ASN A 105 -7.116 9.267 -1.977 1.00 0.00 O ATOM 1183 ND2 ASN A 105 -7.288 10.931 -0.478 1.00 0.00 N ATOM 0 H ASN A 105 -5.162 11.542 -1.558 1.00 0.00 H new ATOM 0 HA ASN A 105 -3.297 9.684 -0.379 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -5.462 8.317 -0.158 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -5.388 9.837 0.712 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -8.141 11.290 -0.907 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -6.897 11.393 0.343 1.00 0.00 H new ATOM 1190 N VAL A 106 -4.759 8.976 -3.263 1.00 0.00 N ATOM 1191 CA VAL A 106 -4.661 8.123 -4.443 1.00 0.00 C ATOM 1192 C VAL A 106 -3.255 8.164 -5.036 1.00 0.00 C ATOM 1193 O VAL A 106 -2.710 7.138 -5.442 1.00 0.00 O ATOM 1194 CB VAL A 106 -5.681 8.535 -5.525 1.00 0.00 C ATOM 1195 CG1 VAL A 106 -7.095 8.518 -4.964 1.00 0.00 C ATOM 1196 CG2 VAL A 106 -5.344 9.908 -6.087 1.00 0.00 C ATOM 0 H VAL A 106 -5.491 9.685 -3.314 1.00 0.00 H new ATOM 0 HA VAL A 106 -4.884 7.107 -4.118 1.00 0.00 H new ATOM 0 HB VAL A 106 -5.627 7.811 -6.338 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -7.799 8.811 -5.743 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -7.336 7.514 -4.616 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -7.164 9.217 -4.130 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -6.076 10.179 -6.848 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -5.365 10.645 -5.284 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -4.349 9.885 -6.532 1.00 0.00 H new ATOM 1206 N ASP A 107 -2.674 9.359 -5.082 1.00 0.00 N ATOM 1207 CA ASP A 107 -1.332 9.539 -5.624 1.00 0.00 C ATOM 1208 C ASP A 107 -0.310 8.741 -4.821 1.00 0.00 C ATOM 1209 O ASP A 107 0.534 8.046 -5.387 1.00 0.00 O ATOM 1210 CB ASP A 107 -0.953 11.021 -5.624 1.00 0.00 C ATOM 1211 CG ASP A 107 0.232 11.315 -6.522 1.00 0.00 C ATOM 1212 OD1 ASP A 107 1.050 10.397 -6.745 1.00 0.00 O ATOM 1213 OD2 ASP A 107 0.343 12.463 -7.002 1.00 0.00 O ATOM 0 H ASP A 107 -3.112 10.218 -4.750 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.329 9.171 -6.650 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -1.809 11.612 -5.951 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.720 11.334 -4.606 1.00 0.00 H new ATOM 1218 N ASP A 108 -0.393 8.843 -3.499 1.00 0.00 N ATOM 1219 CA ASP A 108 0.524 8.129 -2.620 1.00 0.00 C ATOM 1220 C ASP A 108 0.214 6.635 -2.612 1.00 0.00 C ATOM 1221 O ASP A 108 1.101 5.808 -2.400 1.00 0.00 O ATOM 1222 CB ASP A 108 0.443 8.689 -1.199 1.00 0.00 C ATOM 1223 CG ASP A 108 1.468 9.777 -0.948 1.00 0.00 C ATOM 1224 OD1 ASP A 108 2.642 9.587 -1.329 1.00 0.00 O ATOM 1225 OD2 ASP A 108 1.097 10.820 -0.369 1.00 0.00 O ATOM 0 H ASP A 108 -1.086 9.413 -3.013 1.00 0.00 H new ATOM 0 HA ASP A 108 1.536 8.270 -2.999 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -0.556 9.088 -1.025 1.00 0.00 H new ATOM 0 HB3 ASP A 108 0.593 7.880 -0.484 1.00 0.00 H new ATOM 1230 N MET A 109 -1.051 6.296 -2.846 1.00 0.00 N ATOM 1231 CA MET A 109 -1.475 4.901 -2.868 1.00 0.00 C ATOM 1232 C MET A 109 -0.825 4.158 -4.030 1.00 0.00 C ATOM 1233 O MET A 109 -0.021 3.248 -3.827 1.00 0.00 O ATOM 1234 CB MET A 109 -3.000 4.812 -2.975 1.00 0.00 C ATOM 1235 CG MET A 109 -3.655 4.150 -1.773 1.00 0.00 C ATOM 1236 SD MET A 109 -4.606 5.309 -0.770 1.00 0.00 S ATOM 1237 CE MET A 109 -6.086 5.479 -1.764 1.00 0.00 C ATOM 0 H MET A 109 -1.798 6.967 -3.023 1.00 0.00 H new ATOM 0 HA MET A 109 -1.157 4.432 -1.937 1.00 0.00 H new ATOM 0 HB2 MET A 109 -3.407 5.816 -3.093 1.00 0.00 H new ATOM 0 HB3 MET A 109 -3.261 4.254 -3.874 1.00 0.00 H new ATOM 0 HG2 MET A 109 -4.311 3.350 -2.117 1.00 0.00 H new ATOM 0 HG3 MET A 109 -2.886 3.687 -1.155 1.00 0.00 H new ATOM 0 HE1 MET A 109 -6.108 6.470 -2.217 1.00 0.00 H new ATOM 0 HE2 MET A 109 -6.087 4.722 -2.548 1.00 0.00 H new ATOM 0 HE3 MET A 109 -6.965 5.349 -1.133 1.00 0.00 H new ATOM 1247 N ARG A 110 -1.177 4.553 -5.252 1.00 0.00 N ATOM 1248 CA ARG A 110 -0.626 3.927 -6.449 1.00 0.00 C ATOM 1249 C ARG A 110 0.892 3.810 -6.350 1.00 0.00 C ATOM 1250 O ARG A 110 1.489 2.872 -6.879 1.00 0.00 O ATOM 1251 CB ARG A 110 -1.010 4.728 -7.696 1.00 0.00 C ATOM 1252 CG ARG A 110 -0.478 6.151 -7.693 1.00 0.00 C ATOM 1253 CD ARG A 110 0.841 6.256 -8.441 1.00 0.00 C ATOM 1254 NE ARG A 110 0.662 6.771 -9.797 1.00 0.00 N ATOM 1255 CZ ARG A 110 1.624 6.785 -10.717 1.00 0.00 C ATOM 1256 NH1 ARG A 110 2.832 6.314 -10.432 1.00 0.00 N ATOM 1257 NH2 ARG A 110 1.377 7.271 -11.926 1.00 0.00 N ATOM 0 H ARG A 110 -1.842 5.304 -5.438 1.00 0.00 H new ATOM 0 HA ARG A 110 -1.046 2.924 -6.530 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -0.635 4.211 -8.579 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -2.096 4.755 -7.780 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -1.211 6.815 -8.151 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -0.342 6.487 -6.665 1.00 0.00 H new ATOM 0 HD2 ARG A 110 1.518 6.910 -7.891 1.00 0.00 H new ATOM 0 HD3 ARG A 110 1.312 5.274 -8.485 1.00 0.00 H new ATOM 0 HE ARG A 110 -0.253 7.141 -10.053 1.00 0.00 H new ATOM 0 HH11 ARG A 110 3.027 5.939 -9.504 1.00 0.00 H new ATOM 0 HH12 ARG A 110 3.565 6.327 -11.141 1.00 0.00 H new ATOM 0 HH21 ARG A 110 0.450 7.634 -12.150 1.00 0.00 H new ATOM 0 HH22 ARG A 110 2.114 7.282 -12.631 1.00 0.00 H new ATOM 1271 N SER A 111 1.509 4.764 -5.660 1.00 0.00 N ATOM 1272 CA SER A 111 2.956 4.762 -5.481 1.00 0.00 C ATOM 1273 C SER A 111 3.399 3.499 -4.750 1.00 0.00 C ATOM 1274 O SER A 111 4.435 2.914 -5.067 1.00 0.00 O ATOM 1275 CB SER A 111 3.398 6.001 -4.700 1.00 0.00 C ATOM 1276 OG SER A 111 3.559 7.116 -5.560 1.00 0.00 O ATOM 0 H SER A 111 1.030 5.547 -5.216 1.00 0.00 H new ATOM 0 HA SER A 111 3.425 4.781 -6.465 1.00 0.00 H new ATOM 0 HB2 SER A 111 2.660 6.233 -3.933 1.00 0.00 H new ATOM 0 HB3 SER A 111 4.337 5.795 -4.187 1.00 0.00 H new ATOM 0 HG SER A 111 2.705 7.589 -5.646 1.00 0.00 H new ATOM 1282 N ALA A 112 2.601 3.080 -3.773 1.00 0.00 N ATOM 1283 CA ALA A 112 2.905 1.883 -3.001 1.00 0.00 C ATOM 1284 C ALA A 112 3.009 0.663 -3.908 1.00 0.00 C ATOM 1285 O ALA A 112 3.876 -0.191 -3.721 1.00 0.00 O ATOM 1286 CB ALA A 112 1.847 1.659 -1.931 1.00 0.00 C ATOM 0 H ALA A 112 1.740 3.552 -3.498 1.00 0.00 H new ATOM 0 HA ALA A 112 3.869 2.028 -2.514 1.00 0.00 H new ATOM 0 HB1 ALA A 112 2.089 0.761 -1.363 1.00 0.00 H new ATOM 0 HB2 ALA A 112 1.821 2.517 -1.259 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.872 1.538 -2.403 1.00 0.00 H new ATOM 1292 N ILE A 113 2.120 0.586 -4.894 1.00 0.00 N ATOM 1293 CA ILE A 113 2.117 -0.533 -5.827 1.00 0.00 C ATOM 1294 C ILE A 113 3.430 -0.602 -6.602 1.00 0.00 C ATOM 1295 O ILE A 113 3.900 -1.683 -6.944 1.00 0.00 O ATOM 1296 CB ILE A 113 0.923 -0.451 -6.810 1.00 0.00 C ATOM 1297 CG1 ILE A 113 0.288 -1.832 -6.986 1.00 0.00 C ATOM 1298 CG2 ILE A 113 1.348 0.115 -8.160 1.00 0.00 C ATOM 1299 CD1 ILE A 113 -0.732 -2.167 -5.919 1.00 0.00 C ATOM 0 H ILE A 113 1.395 1.283 -5.066 1.00 0.00 H new ATOM 0 HA ILE A 113 2.010 -1.444 -5.238 1.00 0.00 H new ATOM 0 HB ILE A 113 0.185 0.228 -6.384 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.191 -1.881 -7.964 1.00 0.00 H new ATOM 0 HG13 ILE A 113 1.073 -2.588 -6.977 1.00 0.00 H new ATOM 0 HG21 ILE A 113 0.485 0.158 -8.824 1.00 0.00 H new ATOM 0 HG22 ILE A 113 1.751 1.118 -8.023 1.00 0.00 H new ATOM 0 HG23 ILE A 113 2.112 -0.526 -8.599 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.141 -3.160 -6.106 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -0.253 -2.150 -4.940 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -1.537 -1.432 -5.942 1.00 0.00 H new ATOM 1311 N THR A 114 4.023 0.558 -6.872 1.00 0.00 N ATOM 1312 CA THR A 114 5.287 0.608 -7.598 1.00 0.00 C ATOM 1313 C THR A 114 6.346 -0.196 -6.857 1.00 0.00 C ATOM 1314 O THR A 114 6.992 -1.075 -7.429 1.00 0.00 O ATOM 1315 CB THR A 114 5.757 2.053 -7.771 1.00 0.00 C ATOM 1316 OG1 THR A 114 6.303 2.552 -6.564 1.00 0.00 O ATOM 1317 CG2 THR A 114 4.654 2.994 -8.205 1.00 0.00 C ATOM 0 H THR A 114 3.652 1.469 -6.601 1.00 0.00 H new ATOM 0 HA THR A 114 5.132 0.174 -8.586 1.00 0.00 H new ATOM 0 HB THR A 114 6.511 2.019 -8.558 1.00 0.00 H new ATOM 0 HG1 THR A 114 5.640 3.116 -6.113 1.00 0.00 H new ATOM 0 HG21 THR A 114 5.056 4.002 -8.309 1.00 0.00 H new ATOM 0 HG22 THR A 114 4.250 2.664 -9.162 1.00 0.00 H new ATOM 0 HG23 THR A 114 3.861 2.995 -7.457 1.00 0.00 H new ATOM 1325 N ASP A 115 6.507 0.105 -5.574 1.00 0.00 N ATOM 1326 CA ASP A 115 7.475 -0.595 -4.740 1.00 0.00 C ATOM 1327 C ASP A 115 6.993 -2.011 -4.439 1.00 0.00 C ATOM 1328 O ASP A 115 7.751 -2.974 -4.554 1.00 0.00 O ATOM 1329 CB ASP A 115 7.701 0.167 -3.433 1.00 0.00 C ATOM 1330 CG ASP A 115 9.130 0.055 -2.938 1.00 0.00 C ATOM 1331 OD1 ASP A 115 9.853 -0.849 -3.408 1.00 0.00 O ATOM 1332 OD2 ASP A 115 9.526 0.871 -2.078 1.00 0.00 O ATOM 0 H ASP A 115 5.979 0.830 -5.089 1.00 0.00 H new ATOM 0 HA ASP A 115 8.418 -0.652 -5.283 1.00 0.00 H new ATOM 0 HB2 ASP A 115 7.452 1.218 -3.581 1.00 0.00 H new ATOM 0 HB3 ASP A 115 7.024 -0.217 -2.670 1.00 0.00 H new ATOM 1337 N TRP A 116 5.724 -2.128 -4.056 1.00 0.00 N ATOM 1338 CA TRP A 116 5.135 -3.425 -3.741 1.00 0.00 C ATOM 1339 C TRP A 116 5.216 -4.365 -4.938 1.00 0.00 C ATOM 1340 O TRP A 116 5.747 -5.472 -4.835 1.00 0.00 O ATOM 1341 CB TRP A 116 3.677 -3.254 -3.312 1.00 0.00 C ATOM 1342 CG TRP A 116 3.514 -3.048 -1.839 1.00 0.00 C ATOM 1343 CD1 TRP A 116 3.430 -1.854 -1.184 1.00 0.00 C ATOM 1344 CD2 TRP A 116 3.418 -4.065 -0.836 1.00 0.00 C ATOM 1345 NE1 TRP A 116 3.288 -2.065 0.165 1.00 0.00 N ATOM 1346 CE2 TRP A 116 3.278 -3.415 0.405 1.00 0.00 C ATOM 1347 CE3 TRP A 116 3.437 -5.462 -0.866 1.00 0.00 C ATOM 1348 CZ2 TRP A 116 3.156 -4.115 1.602 1.00 0.00 C ATOM 1349 CZ3 TRP A 116 3.316 -6.156 0.323 1.00 0.00 C ATOM 1350 CH2 TRP A 116 3.178 -5.482 1.543 1.00 0.00 C ATOM 0 H TRP A 116 5.084 -1.340 -3.957 1.00 0.00 H new ATOM 0 HA TRP A 116 5.701 -3.863 -2.919 1.00 0.00 H new ATOM 0 HB2 TRP A 116 3.247 -2.403 -3.841 1.00 0.00 H new ATOM 0 HB3 TRP A 116 3.111 -4.135 -3.613 1.00 0.00 H new ATOM 0 HD1 TRP A 116 3.469 -0.884 -1.658 1.00 0.00 H new ATOM 0 HE1 TRP A 116 3.204 -1.336 0.874 1.00 0.00 H new ATOM 0 HE3 TRP A 116 3.544 -5.990 -1.802 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 3.048 -3.598 2.544 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 3.328 -7.236 0.311 1.00 0.00 H new ATOM 0 HH2 TRP A 116 3.087 -6.053 2.455 1.00 0.00 H new ATOM 1361 N SER A 117 4.691 -3.918 -6.076 1.00 0.00 N ATOM 1362 CA SER A 117 4.709 -4.720 -7.296 1.00 0.00 C ATOM 1363 C SER A 117 6.117 -5.230 -7.582 1.00 0.00 C ATOM 1364 O SER A 117 6.310 -6.392 -7.941 1.00 0.00 O ATOM 1365 CB SER A 117 4.201 -3.898 -8.482 1.00 0.00 C ATOM 1366 OG SER A 117 4.014 -4.715 -9.625 1.00 0.00 O ATOM 0 H SER A 117 4.248 -3.005 -6.179 1.00 0.00 H new ATOM 0 HA SER A 117 4.050 -5.576 -7.151 1.00 0.00 H new ATOM 0 HB2 SER A 117 3.260 -3.416 -8.218 1.00 0.00 H new ATOM 0 HB3 SER A 117 4.913 -3.105 -8.710 1.00 0.00 H new ATOM 0 HG SER A 117 3.688 -4.167 -10.369 1.00 0.00 H new ATOM 1372 N ASP A 118 7.097 -4.351 -7.410 1.00 0.00 N ATOM 1373 CA ASP A 118 8.492 -4.705 -7.640 1.00 0.00 C ATOM 1374 C ASP A 118 8.936 -5.788 -6.664 1.00 0.00 C ATOM 1375 O ASP A 118 9.724 -6.668 -7.011 1.00 0.00 O ATOM 1376 CB ASP A 118 9.385 -3.472 -7.491 1.00 0.00 C ATOM 1377 CG ASP A 118 10.803 -3.726 -7.963 1.00 0.00 C ATOM 1378 OD1 ASP A 118 11.422 -4.700 -7.485 1.00 0.00 O ATOM 1379 OD2 ASP A 118 11.296 -2.950 -8.809 1.00 0.00 O ATOM 0 H ASP A 118 6.951 -3.387 -7.112 1.00 0.00 H new ATOM 0 HA ASP A 118 8.585 -5.089 -8.656 1.00 0.00 H new ATOM 0 HB2 ASP A 118 8.958 -2.646 -8.060 1.00 0.00 H new ATOM 0 HB3 ASP A 118 9.403 -3.163 -6.446 1.00 0.00 H new ATOM 1384 N MET A 119 8.420 -5.717 -5.441 1.00 0.00 N ATOM 1385 CA MET A 119 8.757 -6.691 -4.411 1.00 0.00 C ATOM 1386 C MET A 119 8.052 -8.017 -4.670 1.00 0.00 C ATOM 1387 O MET A 119 8.590 -9.084 -4.378 1.00 0.00 O ATOM 1388 CB MET A 119 8.373 -6.157 -3.030 1.00 0.00 C ATOM 1389 CG MET A 119 8.985 -6.943 -1.882 1.00 0.00 C ATOM 1390 SD MET A 119 8.546 -6.271 -0.267 1.00 0.00 S ATOM 1391 CE MET A 119 10.161 -6.138 0.495 1.00 0.00 C ATOM 0 H MET A 119 7.766 -4.994 -5.140 1.00 0.00 H new ATOM 0 HA MET A 119 9.834 -6.859 -4.441 1.00 0.00 H new ATOM 0 HB2 MET A 119 8.685 -5.115 -2.953 1.00 0.00 H new ATOM 0 HB3 MET A 119 7.287 -6.173 -2.932 1.00 0.00 H new ATOM 0 HG2 MET A 119 8.656 -7.980 -1.941 1.00 0.00 H new ATOM 0 HG3 MET A 119 10.070 -6.946 -1.987 1.00 0.00 H new ATOM 0 HE1 MET A 119 10.103 -5.473 1.357 1.00 0.00 H new ATOM 0 HE2 MET A 119 10.493 -7.124 0.819 1.00 0.00 H new ATOM 0 HE3 MET A 119 10.872 -5.735 -0.227 1.00 0.00 H new ATOM 1401 N ARG A 120 6.845 -7.944 -5.223 1.00 0.00 N ATOM 1402 CA ARG A 120 6.065 -9.141 -5.523 1.00 0.00 C ATOM 1403 C ARG A 120 6.877 -10.125 -6.360 1.00 0.00 C ATOM 1404 O ARG A 120 6.858 -11.331 -6.113 1.00 0.00 O ATOM 1405 CB ARG A 120 4.779 -8.765 -6.262 1.00 0.00 C ATOM 1406 CG ARG A 120 3.805 -9.922 -6.415 1.00 0.00 C ATOM 1407 CD ARG A 120 2.998 -9.805 -7.698 1.00 0.00 C ATOM 1408 NE ARG A 120 1.751 -9.072 -7.494 1.00 0.00 N ATOM 1409 CZ ARG A 120 1.038 -8.534 -8.481 1.00 0.00 C ATOM 1410 NH1 ARG A 120 1.445 -8.645 -9.740 1.00 0.00 N ATOM 1411 NH2 ARG A 120 -0.085 -7.884 -8.209 1.00 0.00 N ATOM 0 H ARG A 120 6.385 -7.068 -5.473 1.00 0.00 H new ATOM 0 HA ARG A 120 5.807 -9.622 -4.579 1.00 0.00 H new ATOM 0 HB2 ARG A 120 4.286 -7.954 -5.726 1.00 0.00 H new ATOM 0 HB3 ARG A 120 5.036 -8.384 -7.250 1.00 0.00 H new ATOM 0 HG2 ARG A 120 4.354 -10.864 -6.414 1.00 0.00 H new ATOM 0 HG3 ARG A 120 3.129 -9.946 -5.560 1.00 0.00 H new ATOM 0 HD2 ARG A 120 3.595 -9.300 -8.457 1.00 0.00 H new ATOM 0 HD3 ARG A 120 2.775 -10.802 -8.078 1.00 0.00 H new ATOM 0 HE ARG A 120 1.407 -8.966 -6.540 1.00 0.00 H new ATOM 0 HH11 ARG A 120 2.308 -9.145 -9.955 1.00 0.00 H new ATOM 0 HH12 ARG A 120 0.895 -8.231 -10.492 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -0.402 -7.796 -7.244 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -0.632 -7.472 -8.965 1.00 0.00 H new ATOM 1425 N GLU A 121 7.592 -9.601 -7.350 1.00 0.00 N ATOM 1426 CA GLU A 121 8.413 -10.433 -8.223 1.00 0.00 C ATOM 1427 C GLU A 121 9.751 -10.759 -7.565 1.00 0.00 C ATOM 1428 O GLU A 121 10.303 -11.842 -7.760 1.00 0.00 O ATOM 1429 CB GLU A 121 8.649 -9.729 -9.560 1.00 0.00 C ATOM 1430 CG GLU A 121 7.465 -9.816 -10.510 1.00 0.00 C ATOM 1431 CD GLU A 121 7.802 -10.540 -11.800 1.00 0.00 C ATOM 1432 OE1 GLU A 121 8.898 -10.297 -12.348 1.00 0.00 O ATOM 1433 OE2 GLU A 121 6.971 -11.350 -12.260 1.00 0.00 O ATOM 0 H GLU A 121 7.620 -8.605 -7.568 1.00 0.00 H new ATOM 0 HA GLU A 121 7.878 -11.366 -8.400 1.00 0.00 H new ATOM 0 HB2 GLU A 121 8.878 -8.680 -9.373 1.00 0.00 H new ATOM 0 HB3 GLU A 121 9.524 -10.166 -10.042 1.00 0.00 H new ATOM 0 HG2 GLU A 121 6.643 -10.331 -10.013 1.00 0.00 H new ATOM 0 HG3 GLU A 121 7.117 -8.810 -10.743 1.00 0.00 H new ATOM 1440 N ALA A 122 10.267 -9.814 -6.786 1.00 0.00 N ATOM 1441 CA ALA A 122 11.540 -9.998 -6.100 1.00 0.00 C ATOM 1442 C ALA A 122 11.418 -11.014 -4.969 1.00 0.00 C ATOM 1443 O ALA A 122 12.100 -12.039 -4.965 1.00 0.00 O ATOM 1444 CB ALA A 122 12.044 -8.668 -5.561 1.00 0.00 C ATOM 0 H ALA A 122 9.822 -8.912 -6.614 1.00 0.00 H new ATOM 0 HA ALA A 122 12.259 -10.385 -6.823 1.00 0.00 H new ATOM 0 HB1 ALA A 122 12.995 -8.819 -5.051 1.00 0.00 H new ATOM 0 HB2 ALA A 122 12.182 -7.970 -6.386 1.00 0.00 H new ATOM 0 HB3 ALA A 122 11.317 -8.261 -4.859 1.00 0.00 H new ATOM 1450 N LEU A 123 10.545 -10.721 -4.009 1.00 0.00 N ATOM 1451 CA LEU A 123 10.331 -11.606 -2.867 1.00 0.00 C ATOM 1452 C LEU A 123 10.068 -13.039 -3.323 1.00 0.00 C ATOM 1453 O LEU A 123 10.647 -13.986 -2.791 1.00 0.00 O ATOM 1454 CB LEU A 123 9.158 -11.101 -2.019 1.00 0.00 C ATOM 1455 CG LEU A 123 9.504 -10.756 -0.568 1.00 0.00 C ATOM 1456 CD1 LEU A 123 10.707 -9.823 -0.508 1.00 0.00 C ATOM 1457 CD2 LEU A 123 8.304 -10.130 0.128 1.00 0.00 C ATOM 0 H LEU A 123 9.973 -9.876 -3.999 1.00 0.00 H new ATOM 0 HA LEU A 123 11.238 -11.602 -2.262 1.00 0.00 H new ATOM 0 HB2 LEU A 123 8.740 -10.215 -2.497 1.00 0.00 H new ATOM 0 HB3 LEU A 123 8.377 -11.861 -2.019 1.00 0.00 H new ATOM 0 HG LEU A 123 9.764 -11.678 -0.047 1.00 0.00 H new ATOM 0 HD11 LEU A 123 10.936 -9.591 0.532 1.00 0.00 H new ATOM 0 HD12 LEU A 123 11.567 -10.308 -0.969 1.00 0.00 H new ATOM 0 HD13 LEU A 123 10.480 -8.902 -1.044 1.00 0.00 H new ATOM 0 HD21 LEU A 123 8.565 -9.890 1.159 1.00 0.00 H new ATOM 0 HD22 LEU A 123 8.015 -9.218 -0.395 1.00 0.00 H new ATOM 0 HD23 LEU A 123 7.471 -10.833 0.119 1.00 0.00 H new ATOM 1469 N GLN A 124 9.191 -13.189 -4.310 1.00 0.00 N ATOM 1470 CA GLN A 124 8.851 -14.507 -4.837 1.00 0.00 C ATOM 1471 C GLN A 124 10.089 -15.221 -5.372 1.00 0.00 C ATOM 1472 O GLN A 124 10.248 -16.428 -5.190 1.00 0.00 O ATOM 1473 CB GLN A 124 7.803 -14.379 -5.945 1.00 0.00 C ATOM 1474 CG GLN A 124 6.374 -14.557 -5.456 1.00 0.00 C ATOM 1475 CD GLN A 124 5.464 -15.141 -6.518 1.00 0.00 C ATOM 1476 OE1 GLN A 124 5.703 -16.237 -7.023 1.00 0.00 O ATOM 1477 NE2 GLN A 124 4.412 -14.408 -6.864 1.00 0.00 N ATOM 0 H GLN A 124 8.703 -12.415 -4.761 1.00 0.00 H new ATOM 0 HA GLN A 124 8.440 -15.101 -4.021 1.00 0.00 H new ATOM 0 HB2 GLN A 124 7.899 -13.399 -6.412 1.00 0.00 H new ATOM 0 HB3 GLN A 124 8.009 -15.121 -6.716 1.00 0.00 H new ATOM 0 HG2 GLN A 124 6.371 -15.208 -4.582 1.00 0.00 H new ATOM 0 HG3 GLN A 124 5.980 -13.592 -5.136 1.00 0.00 H new ATOM 0 HE21 GLN A 124 4.252 -13.504 -6.419 1.00 0.00 H new ATOM 0 HE22 GLN A 124 3.764 -14.749 -7.574 1.00 0.00 H new ATOM 1486 N HIS A 125 10.960 -14.469 -6.036 1.00 0.00 N ATOM 1487 CA HIS A 125 12.181 -15.031 -6.603 1.00 0.00 C ATOM 1488 C HIS A 125 13.176 -15.405 -5.509 1.00 0.00 C ATOM 1489 O HIS A 125 13.642 -16.543 -5.443 1.00 0.00 O ATOM 1490 CB HIS A 125 12.822 -14.036 -7.571 1.00 0.00 C ATOM 1491 CG HIS A 125 12.308 -14.148 -8.973 1.00 0.00 C ATOM 1492 ND1 HIS A 125 11.030 -13.780 -9.338 1.00 0.00 N ATOM 1493 CD2 HIS A 125 12.907 -14.591 -10.104 1.00 0.00 C ATOM 1494 CE1 HIS A 125 10.865 -13.992 -10.632 1.00 0.00 C ATOM 1495 NE2 HIS A 125 11.989 -14.483 -11.119 1.00 0.00 N ATOM 0 H HIS A 125 10.843 -13.468 -6.195 1.00 0.00 H new ATOM 0 HA HIS A 125 11.912 -15.938 -7.145 1.00 0.00 H new ATOM 0 HB2 HIS A 125 12.645 -13.024 -7.208 1.00 0.00 H new ATOM 0 HB3 HIS A 125 13.901 -14.190 -7.575 1.00 0.00 H new ATOM 0 HD1 HIS A 125 10.322 -13.403 -8.708 1.00 0.00 H new ATOM 0 HD2 HIS A 125 13.918 -14.960 -10.191 1.00 0.00 H new ATOM 0 HE1 HIS A 125 9.964 -13.797 -11.195 1.00 0.00 H new ATOM 1504 N ALA A 126 13.502 -14.441 -4.655 1.00 0.00 N ATOM 1505 CA ALA A 126 14.447 -14.669 -3.568 1.00 0.00 C ATOM 1506 C ALA A 126 13.980 -15.799 -2.654 1.00 0.00 C ATOM 1507 O ALA A 126 14.786 -16.604 -2.188 1.00 0.00 O ATOM 1508 CB ALA A 126 14.650 -13.391 -2.770 1.00 0.00 C ATOM 0 H ALA A 126 13.126 -13.494 -4.695 1.00 0.00 H new ATOM 0 HA ALA A 126 15.399 -14.967 -4.007 1.00 0.00 H new ATOM 0 HB1 ALA A 126 15.358 -13.575 -1.962 1.00 0.00 H new ATOM 0 HB2 ALA A 126 15.041 -12.612 -3.424 1.00 0.00 H new ATOM 0 HB3 ALA A 126 13.697 -13.068 -2.351 1.00 0.00 H new ATOM 1514 N MET A 127 12.676 -15.853 -2.400 1.00 0.00 N ATOM 1515 CA MET A 127 12.107 -16.888 -1.541 1.00 0.00 C ATOM 1516 C MET A 127 12.455 -18.279 -2.060 1.00 0.00 C ATOM 1517 O MET A 127 12.850 -19.158 -1.296 1.00 0.00 O ATOM 1518 CB MET A 127 10.588 -16.732 -1.453 1.00 0.00 C ATOM 1519 CG MET A 127 9.977 -17.402 -0.233 1.00 0.00 C ATOM 1520 SD MET A 127 8.380 -18.162 -0.583 1.00 0.00 S ATOM 1521 CE MET A 127 7.369 -16.712 -0.871 1.00 0.00 C ATOM 0 H MET A 127 11.994 -15.194 -2.776 1.00 0.00 H new ATOM 0 HA MET A 127 12.536 -16.772 -0.546 1.00 0.00 H new ATOM 0 HB2 MET A 127 10.341 -15.671 -1.436 1.00 0.00 H new ATOM 0 HB3 MET A 127 10.135 -17.151 -2.352 1.00 0.00 H new ATOM 0 HG2 MET A 127 10.663 -18.163 0.140 1.00 0.00 H new ATOM 0 HG3 MET A 127 9.857 -16.664 0.560 1.00 0.00 H new ATOM 0 HE1 MET A 127 6.421 -16.819 -0.344 1.00 0.00 H new ATOM 0 HE2 MET A 127 7.890 -15.827 -0.506 1.00 0.00 H new ATOM 0 HE3 MET A 127 7.180 -16.607 -1.939 1.00 0.00 H new ATOM 1531 N GLY A 128 12.305 -18.468 -3.366 1.00 0.00 N ATOM 1532 CA GLY A 128 12.607 -19.753 -3.970 1.00 0.00 C ATOM 1533 C GLY A 128 11.685 -20.084 -5.127 1.00 0.00 C ATOM 1534 O GLY A 128 11.262 -21.229 -5.284 1.00 0.00 O ATOM 0 H GLY A 128 11.980 -17.754 -4.018 1.00 0.00 H new ATOM 0 HA2 GLY A 128 13.639 -19.752 -4.321 1.00 0.00 H new ATOM 0 HA3 GLY A 128 12.529 -20.533 -3.213 1.00 0.00 H new ATOM 1538 N ILE A 129 11.374 -19.080 -5.941 1.00 0.00 N ATOM 1539 CA ILE A 129 10.497 -19.271 -7.090 1.00 0.00 C ATOM 1540 C ILE A 129 11.131 -18.711 -8.359 1.00 0.00 C ATOM 1541 O ILE A 129 12.010 -17.851 -8.299 1.00 0.00 O ATOM 1542 CB ILE A 129 9.127 -18.599 -6.874 1.00 0.00 C ATOM 1543 CG1 ILE A 129 8.531 -19.019 -5.529 1.00 0.00 C ATOM 1544 CG2 ILE A 129 8.178 -18.949 -8.011 1.00 0.00 C ATOM 1545 CD1 ILE A 129 7.730 -17.926 -4.855 1.00 0.00 C ATOM 0 H ILE A 129 11.716 -18.126 -5.826 1.00 0.00 H new ATOM 0 HA ILE A 129 10.350 -20.345 -7.201 1.00 0.00 H new ATOM 0 HB ILE A 129 9.270 -17.518 -6.865 1.00 0.00 H new ATOM 0 HG12 ILE A 129 7.890 -19.887 -5.680 1.00 0.00 H new ATOM 0 HG13 ILE A 129 9.337 -19.330 -4.865 1.00 0.00 H new ATOM 0 HG21 ILE A 129 7.215 -18.466 -7.843 1.00 0.00 H new ATOM 0 HG22 ILE A 129 8.598 -18.602 -8.955 1.00 0.00 H new ATOM 0 HG23 ILE A 129 8.040 -20.030 -8.050 1.00 0.00 H new ATOM 0 HD11 ILE A 129 7.338 -18.294 -3.907 1.00 0.00 H new ATOM 0 HD12 ILE A 129 8.372 -17.065 -4.672 1.00 0.00 H new ATOM 0 HD13 ILE A 129 6.902 -17.631 -5.500 1.00 0.00 H new ATOM 1557 N HIS A 130 10.680 -19.204 -9.508 1.00 0.00 N ATOM 1558 CA HIS A 130 11.205 -18.752 -10.791 1.00 0.00 C ATOM 1559 C HIS A 130 10.073 -18.460 -11.770 1.00 0.00 C ATOM 1560 O HIS A 130 9.426 -19.376 -12.279 1.00 0.00 O ATOM 1561 CB HIS A 130 12.145 -19.805 -11.381 1.00 0.00 C ATOM 1562 CG HIS A 130 13.327 -20.107 -10.512 1.00 0.00 C ATOM 1563 ND1 HIS A 130 13.709 -21.390 -10.181 1.00 0.00 N ATOM 1564 CD2 HIS A 130 14.215 -19.283 -9.906 1.00 0.00 C ATOM 1565 CE1 HIS A 130 14.780 -21.342 -9.408 1.00 0.00 C ATOM 1566 NE2 HIS A 130 15.107 -20.076 -9.227 1.00 0.00 N ATOM 0 H HIS A 130 9.953 -19.916 -9.577 1.00 0.00 H new ATOM 0 HA HIS A 130 11.762 -17.831 -10.622 1.00 0.00 H new ATOM 0 HB2 HIS A 130 11.586 -20.725 -11.552 1.00 0.00 H new ATOM 0 HB3 HIS A 130 12.498 -19.461 -12.353 1.00 0.00 H new ATOM 0 HD2 HIS A 130 14.220 -18.204 -9.949 1.00 0.00 H new ATOM 0 HE1 HIS A 130 15.299 -22.194 -8.995 1.00 0.00 H new ATOM 0 HE2 HIS A 130 15.895 -19.741 -8.672 1.00 0.00 H new ATOM 1575 N ALA A 131 9.838 -17.178 -12.030 1.00 0.00 N ATOM 1576 CA ALA A 131 8.784 -16.764 -12.949 1.00 0.00 C ATOM 1577 C ALA A 131 9.361 -16.014 -14.144 1.00 0.00 C ATOM 1578 O ALA A 131 10.417 -15.388 -14.045 1.00 0.00 O ATOM 1579 CB ALA A 131 7.762 -15.901 -12.224 1.00 0.00 C ATOM 0 H ALA A 131 10.364 -16.408 -11.617 1.00 0.00 H new ATOM 0 HA ALA A 131 8.288 -17.660 -13.322 1.00 0.00 H new ATOM 0 HB1 ALA A 131 6.981 -15.599 -12.921 1.00 0.00 H new ATOM 0 HB2 ALA A 131 7.319 -16.471 -11.407 1.00 0.00 H new ATOM 0 HB3 ALA A 131 8.253 -15.014 -11.823 1.00 0.00 H new ATOM 1585 N ASP A 132 8.663 -16.081 -15.272 1.00 0.00 N ATOM 1586 CA ASP A 132 9.106 -15.407 -16.487 1.00 0.00 C ATOM 1587 C ASP A 132 7.932 -14.749 -17.204 1.00 0.00 C ATOM 1588 O ASP A 132 7.324 -15.342 -18.095 1.00 0.00 O ATOM 1589 CB ASP A 132 9.798 -16.402 -17.423 1.00 0.00 C ATOM 1590 CG ASP A 132 11.303 -16.412 -17.244 1.00 0.00 C ATOM 1591 OD1 ASP A 132 11.765 -16.664 -16.111 1.00 0.00 O ATOM 1592 OD2 ASP A 132 12.020 -16.169 -18.237 1.00 0.00 O ATOM 0 H ASP A 132 7.788 -16.595 -15.371 1.00 0.00 H new ATOM 0 HA ASP A 132 9.816 -14.630 -16.203 1.00 0.00 H new ATOM 0 HB2 ASP A 132 9.406 -17.402 -17.239 1.00 0.00 H new ATOM 0 HB3 ASP A 132 9.559 -16.151 -18.456 1.00 0.00 H new ATOM 1597 N ILE A 133 7.619 -13.519 -16.809 1.00 0.00 N ATOM 1598 CA ILE A 133 6.518 -12.779 -17.415 1.00 0.00 C ATOM 1599 C ILE A 133 6.991 -11.435 -17.956 1.00 0.00 C ATOM 1600 O ILE A 133 6.441 -10.985 -18.984 1.00 0.00 O ATOM 1601 CB ILE A 133 5.378 -12.540 -16.406 1.00 0.00 C ATOM 1602 CG1 ILE A 133 5.022 -13.842 -15.686 1.00 0.00 C ATOM 1603 CG2 ILE A 133 4.158 -11.967 -17.111 1.00 0.00 C ATOM 1604 CD1 ILE A 133 5.709 -13.999 -14.347 1.00 0.00 C ATOM 0 H ILE A 133 8.112 -13.014 -16.072 1.00 0.00 H new ATOM 0 HA ILE A 133 6.144 -13.388 -18.238 1.00 0.00 H new ATOM 0 HB ILE A 133 5.716 -11.818 -15.663 1.00 0.00 H new ATOM 0 HG12 ILE A 133 3.943 -13.883 -15.539 1.00 0.00 H new ATOM 0 HG13 ILE A 133 5.289 -14.685 -16.323 1.00 0.00 H new ATOM 0 HG21 ILE A 133 3.361 -11.804 -16.385 1.00 0.00 H new ATOM 0 HG22 ILE A 133 4.421 -11.019 -17.581 1.00 0.00 H new ATOM 0 HG23 ILE A 133 3.816 -12.667 -17.873 1.00 0.00 H new ATOM 0 HD11 ILE A 133 5.410 -14.944 -13.893 1.00 0.00 H new ATOM 0 HD12 ILE A 133 6.790 -13.990 -14.489 1.00 0.00 H new ATOM 0 HD13 ILE A 133 5.423 -13.176 -13.692 1.00 0.00 H new TER 1616 ILE A 133