USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 985 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 79 LYS NZ :NH3+ -170:sc= 0.259 (180deg=-0.296) USER MOD Set 1.2: A 90 SER OG : rot 180:sc= 0.23 USER MOD Set 2.1: A 40 TYR OH : rot -23:sc= 0.956 USER MOD Set 2.2: A 71 THR OG1 : rot -5:sc= 0.963 USER MOD Set 3.1: A 19 GLN :FLIP amide:sc= 0.0415 F(o=-3.2,f=-1.3) USER MOD Set 3.2: A 70 GLN : amide:sc= -1.3! C(o=-1.3!,f=-3.2!) USER MOD Set 4.1: A 9 ASN : amide:sc= -0.349 X(o=-0.77,f=-0.61) USER MOD Set 4.2: A 12 GLN : amide:sc= -0.42 K(o=-0.77,f=-3.4!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 177:sc= -0.067 (180deg=-0.0868) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -80:sc= 0.105 USER MOD Single : A 20 SER OG : rot 74:sc= 1.04 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 35 GLN : amide:sc= -0.0476 K(o=-0.048,f=-1) USER MOD Single : A 36 GLN : amide:sc= -0.0891 X(o=-0.089,f=-0.37) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 43 SER OG : rot 83:sc= 1.23 USER MOD Single : A 46 THR OG1 : rot 74:sc= 1.05 USER MOD Single : A 48 MET CE :methyl -168:sc= -0.311 (180deg=-0.79) USER MOD Single : A 50 LYS NZ :NH3+ 160:sc= 0.862 (180deg=0.632) USER MOD Single : A 51 GLN : amide:sc= -0.383 X(o=-0.38,f=0) USER MOD Single : A 52 THR OG1 : rot 100:sc= -0.268 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.412 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0.3 K(o=0.3,f=-0.68) USER MOD Single : A 63 MET CE :methyl -177:sc= -1.01 (180deg=-1.07) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -175:sc=-0.00243 (180deg=-0.0572) USER MOD Single : A 74 ASN : amide:sc= -3.46! X(o=-3.5!,f=-3.1) USER MOD Single : A 76 GLN :FLIP amide:sc=-0.00761 F(o=-0.82,f=-0.0076) USER MOD Single : A 83 GLN : amide:sc= -0.301 X(o=-0.3,f=0) USER MOD Single : A 84 GLN : amide:sc= -0.438 X(o=-0.44,f=0) USER MOD Single : A 91 SER OG : rot -36:sc= 0.527 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 96 SER OG : rot -108:sc= 0.0813 USER MOD Single : A 97 THR OG1 : rot 134:sc= 0.543 USER MOD Single : A 99 GLN : amide:sc= -0.329 K(o=-0.33,f=-5.6!) USER MOD Single : A 100 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0044) USER MOD Single : A 101 SER OG : rot -143:sc= 0.81 USER MOD Single : A 103 ASN :FLIP amide:sc= 0 F(o=-0.91,f=0) USER MOD Single : A 104 ASN :FLIP amide:sc= 0 F(o=-0.75,f=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 MET CE :methyl 178:sc= -0.0133 (180deg=-0.0166) USER MOD Single : A 122 SER OG : rot 48:sc= 0.116 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.847 4.146 21.676 1.00 2.41 N ATOM 2 CA MET A 1 1.114 3.352 20.448 1.00 53.42 C ATOM 3 C MET A 1 0.326 3.925 19.236 1.00 44.15 C ATOM 4 O MET A 1 0.353 3.334 18.158 1.00 21.45 O ATOM 5 CB MET A 1 0.764 1.845 20.718 1.00 41.01 C ATOM 6 CG MET A 1 1.170 0.851 19.611 1.00 31.52 C ATOM 7 SD MET A 1 0.625 -0.844 19.937 1.00 72.43 S ATOM 8 CE MET A 1 1.133 -1.682 18.427 1.00 33.45 C ATOM 0 H1 MET A 1 1.343 3.716 22.482 1.00 2.41 H new ATOM 0 H2 MET A 1 1.186 5.120 21.540 1.00 2.41 H new ATOM 0 H3 MET A 1 -0.176 4.159 21.865 1.00 2.41 H new ATOM 0 HA MET A 1 2.172 3.418 20.194 1.00 53.42 H new ATOM 0 HB2 MET A 1 1.246 1.541 21.647 1.00 41.01 H new ATOM 0 HB3 MET A 1 -0.312 1.764 20.875 1.00 41.01 H new ATOM 0 HG2 MET A 1 0.751 1.184 18.662 1.00 31.52 H new ATOM 0 HG3 MET A 1 2.254 0.862 19.502 1.00 31.52 H new ATOM 0 HE1 MET A 1 0.861 -2.736 18.486 1.00 33.45 H new ATOM 0 HE2 MET A 1 0.634 -1.226 17.572 1.00 33.45 H new ATOM 0 HE3 MET A 1 2.213 -1.592 18.307 1.00 33.45 H new ATOM 20 N THR A 2 -0.312 5.117 19.412 1.00 61.33 N ATOM 21 CA THR A 2 -1.216 5.725 18.400 1.00 34.14 C ATOM 22 C THR A 2 -0.589 5.766 16.981 1.00 41.01 C ATOM 23 O THR A 2 -1.205 5.292 16.031 1.00 73.10 O ATOM 24 CB THR A 2 -1.647 7.174 18.824 1.00 40.32 C ATOM 25 OG1 THR A 2 -2.222 7.151 20.138 1.00 50.11 O ATOM 26 CG2 THR A 2 -2.662 7.810 17.846 1.00 3.25 C ATOM 0 H THR A 2 -0.213 5.679 20.257 1.00 61.33 H new ATOM 0 HA THR A 2 -2.095 5.081 18.357 1.00 34.14 H new ATOM 0 HB THR A 2 -0.743 7.783 18.808 1.00 40.32 H new ATOM 0 HG1 THR A 2 -2.486 8.059 20.395 1.00 50.11 H new ATOM 0 HG21 THR A 2 -2.922 8.811 18.191 1.00 3.25 H new ATOM 0 HG22 THR A 2 -2.219 7.873 16.852 1.00 3.25 H new ATOM 0 HG23 THR A 2 -3.561 7.195 17.804 1.00 3.25 H new ATOM 34 N SER A 3 0.661 6.268 16.883 1.00 0.23 N ATOM 35 CA SER A 3 1.390 6.410 15.600 1.00 3.33 C ATOM 36 C SER A 3 1.597 5.054 14.900 1.00 1.13 C ATOM 37 O SER A 3 1.457 4.962 13.682 1.00 71.42 O ATOM 38 CB SER A 3 2.756 7.095 15.836 1.00 60.24 C ATOM 39 OG SER A 3 3.541 6.367 16.770 1.00 55.34 O ATOM 0 H SER A 3 1.195 6.587 17.691 1.00 0.23 H new ATOM 0 HA SER A 3 0.778 7.030 14.945 1.00 3.33 H new ATOM 0 HB2 SER A 3 3.293 7.177 14.891 1.00 60.24 H new ATOM 0 HB3 SER A 3 2.599 8.110 16.202 1.00 60.24 H new ATOM 0 HG SER A 3 4.400 6.821 16.900 1.00 55.34 H new ATOM 45 N THR A 4 1.936 4.012 15.689 1.00 33.33 N ATOM 46 CA THR A 4 2.165 2.644 15.173 1.00 0.42 C ATOM 47 C THR A 4 0.852 2.002 14.683 1.00 52.40 C ATOM 48 O THR A 4 0.827 1.352 13.637 1.00 70.22 O ATOM 49 CB THR A 4 2.834 1.740 16.261 1.00 1.30 C ATOM 50 OG1 THR A 4 4.011 2.391 16.761 1.00 52.11 O ATOM 51 CG2 THR A 4 3.222 0.343 15.724 1.00 72.44 C ATOM 0 H THR A 4 2.058 4.094 16.698 1.00 33.33 H new ATOM 0 HA THR A 4 2.843 2.726 14.323 1.00 0.42 H new ATOM 0 HB THR A 4 2.100 1.594 17.053 1.00 1.30 H new ATOM 0 HG1 THR A 4 4.431 1.828 17.444 1.00 52.11 H new ATOM 0 HG21 THR A 4 3.681 -0.239 16.523 1.00 72.44 H new ATOM 0 HG22 THR A 4 2.329 -0.171 15.368 1.00 72.44 H new ATOM 0 HG23 THR A 4 3.929 0.453 14.902 1.00 72.44 H new ATOM 59 N VAL A 5 -0.235 2.220 15.440 1.00 73.13 N ATOM 60 CA VAL A 5 -1.573 1.695 15.098 1.00 24.31 C ATOM 61 C VAL A 5 -2.073 2.344 13.790 1.00 11.31 C ATOM 62 O VAL A 5 -2.531 1.639 12.888 1.00 43.44 O ATOM 63 CB VAL A 5 -2.614 1.925 16.262 1.00 11.22 C ATOM 64 CG1 VAL A 5 -4.038 1.449 15.858 1.00 4.45 C ATOM 65 CG2 VAL A 5 -2.141 1.234 17.566 1.00 62.50 C ATOM 0 H VAL A 5 -0.215 2.762 16.304 1.00 73.13 H new ATOM 0 HA VAL A 5 -1.482 0.618 14.956 1.00 24.31 H new ATOM 0 HB VAL A 5 -2.672 2.997 16.448 1.00 11.22 H new ATOM 0 HG11 VAL A 5 -4.728 1.623 16.684 1.00 4.45 H new ATOM 0 HG12 VAL A 5 -4.373 2.005 14.982 1.00 4.45 H new ATOM 0 HG13 VAL A 5 -4.013 0.385 15.624 1.00 4.45 H new ATOM 0 HG21 VAL A 5 -2.873 1.405 18.355 1.00 62.50 H new ATOM 0 HG22 VAL A 5 -2.038 0.163 17.393 1.00 62.50 H new ATOM 0 HG23 VAL A 5 -1.179 1.647 17.868 1.00 62.50 H new ATOM 75 N GLU A 6 -1.925 3.687 13.693 1.00 40.41 N ATOM 76 CA GLU A 6 -2.246 4.453 12.473 1.00 64.23 C ATOM 77 C GLU A 6 -1.409 3.947 11.290 1.00 61.52 C ATOM 78 O GLU A 6 -1.940 3.716 10.217 1.00 11.50 O ATOM 79 CB GLU A 6 -1.991 5.980 12.677 1.00 11.52 C ATOM 80 CG GLU A 6 -2.873 6.652 13.748 1.00 30.23 C ATOM 81 CD GLU A 6 -4.379 6.486 13.495 1.00 64.44 C ATOM 82 OE1 GLU A 6 -4.868 6.973 12.455 1.00 13.34 O ATOM 83 OE2 GLU A 6 -5.087 5.890 14.342 1.00 61.14 O ATOM 0 H GLU A 6 -1.580 4.265 14.459 1.00 40.41 H new ATOM 0 HA GLU A 6 -3.305 4.305 12.260 1.00 64.23 H new ATOM 0 HB2 GLU A 6 -0.945 6.125 12.946 1.00 11.52 H new ATOM 0 HB3 GLU A 6 -2.149 6.489 11.726 1.00 11.52 H new ATOM 0 HG2 GLU A 6 -2.628 6.233 14.724 1.00 30.23 H new ATOM 0 HG3 GLU A 6 -2.635 7.715 13.789 1.00 30.23 H new ATOM 90 N PHE A 7 -0.105 3.735 11.548 1.00 33.53 N ATOM 91 CA PHE A 7 0.893 3.330 10.535 1.00 50.22 C ATOM 92 C PHE A 7 0.469 2.013 9.854 1.00 44.11 C ATOM 93 O PHE A 7 0.286 1.972 8.634 1.00 55.41 O ATOM 94 CB PHE A 7 2.284 3.181 11.221 1.00 70.52 C ATOM 95 CG PHE A 7 3.489 3.058 10.291 1.00 14.32 C ATOM 96 CD1 PHE A 7 3.894 4.144 9.512 1.00 12.54 C ATOM 97 CD2 PHE A 7 4.251 1.883 10.231 1.00 4.05 C ATOM 98 CE1 PHE A 7 5.015 4.065 8.707 1.00 5.13 C ATOM 99 CE2 PHE A 7 5.368 1.805 9.419 1.00 22.13 C ATOM 100 CZ PHE A 7 5.749 2.897 8.659 1.00 54.23 C ATOM 0 H PHE A 7 0.293 3.842 12.481 1.00 33.53 H new ATOM 0 HA PHE A 7 0.958 4.095 9.761 1.00 50.22 H new ATOM 0 HB2 PHE A 7 2.439 4.043 11.870 1.00 70.52 H new ATOM 0 HB3 PHE A 7 2.256 2.300 11.863 1.00 70.52 H new ATOM 0 HD1 PHE A 7 3.322 5.060 9.539 1.00 12.54 H new ATOM 0 HD2 PHE A 7 3.963 1.029 10.826 1.00 4.05 H new ATOM 0 HE1 PHE A 7 5.316 4.917 8.116 1.00 5.13 H new ATOM 0 HE2 PHE A 7 5.943 0.892 9.378 1.00 22.13 H new ATOM 0 HZ PHE A 7 6.623 2.835 8.027 1.00 54.23 H new ATOM 110 N ILE A 8 0.239 0.969 10.685 1.00 15.33 N ATOM 111 CA ILE A 8 -0.143 -0.380 10.215 1.00 23.52 C ATOM 112 C ILE A 8 -1.544 -0.344 9.560 1.00 22.52 C ATOM 113 O ILE A 8 -1.774 -1.025 8.570 1.00 2.43 O ATOM 114 CB ILE A 8 -0.161 -1.443 11.386 1.00 64.54 C ATOM 115 CG1 ILE A 8 1.170 -1.423 12.199 1.00 11.53 C ATOM 116 CG2 ILE A 8 -0.444 -2.871 10.840 1.00 43.45 C ATOM 117 CD1 ILE A 8 1.127 -2.240 13.482 1.00 1.13 C ATOM 0 H ILE A 8 0.314 1.040 11.700 1.00 15.33 H new ATOM 0 HA ILE A 8 0.611 -0.682 9.488 1.00 23.52 H new ATOM 0 HB ILE A 8 -0.970 -1.166 12.062 1.00 64.54 H new ATOM 0 HG12 ILE A 8 1.974 -1.800 11.568 1.00 11.53 H new ATOM 0 HG13 ILE A 8 1.416 -0.390 12.447 1.00 11.53 H new ATOM 0 HG21 ILE A 8 -0.451 -3.582 11.666 1.00 43.45 H new ATOM 0 HG22 ILE A 8 -1.413 -2.885 10.342 1.00 43.45 H new ATOM 0 HG23 ILE A 8 0.333 -3.149 10.128 1.00 43.45 H new ATOM 0 HD11 ILE A 8 2.090 -2.174 13.988 1.00 1.13 H new ATOM 0 HD12 ILE A 8 0.347 -1.850 14.136 1.00 1.13 H new ATOM 0 HD13 ILE A 8 0.913 -3.282 13.243 1.00 1.13 H new ATOM 129 N ASN A 9 -2.459 0.475 10.131 1.00 32.30 N ATOM 130 CA ASN A 9 -3.866 0.584 9.658 1.00 55.44 C ATOM 131 C ASN A 9 -3.944 1.332 8.317 1.00 62.15 C ATOM 132 O ASN A 9 -4.871 1.126 7.526 1.00 42.02 O ATOM 133 CB ASN A 9 -4.749 1.292 10.722 1.00 13.31 C ATOM 134 CG ASN A 9 -6.268 1.230 10.460 1.00 31.25 C ATOM 135 OD1 ASN A 9 -7.006 2.150 10.816 1.00 2.05 O ATOM 136 ND2 ASN A 9 -6.759 0.138 9.880 1.00 24.22 N ATOM 0 H ASN A 9 -2.248 1.076 10.927 1.00 32.30 H new ATOM 0 HA ASN A 9 -4.245 -0.427 9.506 1.00 55.44 H new ATOM 0 HB2 ASN A 9 -4.546 0.846 11.695 1.00 13.31 H new ATOM 0 HB3 ASN A 9 -4.449 2.338 10.782 1.00 13.31 H new ATOM 0 HD21 ASN A 9 -7.763 0.052 9.723 1.00 24.22 H new ATOM 0 HD22 ASN A 9 -6.131 -0.613 9.592 1.00 24.22 H new ATOM 143 N ARG A 10 -2.956 2.203 8.077 1.00 0.13 N ATOM 144 CA ARG A 10 -2.803 2.921 6.809 1.00 2.41 C ATOM 145 C ARG A 10 -2.188 1.986 5.757 1.00 74.40 C ATOM 146 O ARG A 10 -2.541 2.067 4.589 1.00 4.41 O ATOM 147 CB ARG A 10 -1.929 4.185 6.992 1.00 2.23 C ATOM 148 CG ARG A 10 -2.617 5.360 7.718 1.00 51.10 C ATOM 149 CD ARG A 10 -1.667 6.551 7.959 1.00 30.13 C ATOM 150 NE ARG A 10 -2.329 7.627 8.718 1.00 1.54 N ATOM 151 CZ ARG A 10 -1.743 8.409 9.643 1.00 60.31 C ATOM 152 NH1 ARG A 10 -0.454 8.259 9.955 1.00 51.35 N ATOM 153 NH2 ARG A 10 -2.458 9.338 10.261 1.00 64.13 N ATOM 0 H ARG A 10 -2.236 2.430 8.763 1.00 0.13 H new ATOM 0 HA ARG A 10 -3.787 3.243 6.468 1.00 2.41 H new ATOM 0 HB2 ARG A 10 -1.033 3.910 7.548 1.00 2.23 H new ATOM 0 HB3 ARG A 10 -1.603 4.527 6.010 1.00 2.23 H new ATOM 0 HG2 ARG A 10 -3.471 5.695 7.129 1.00 51.10 H new ATOM 0 HG3 ARG A 10 -3.007 5.012 8.675 1.00 51.10 H new ATOM 0 HD2 ARG A 10 -0.786 6.210 8.503 1.00 30.13 H new ATOM 0 HD3 ARG A 10 -1.320 6.940 7.002 1.00 30.13 H new ATOM 0 HE ARG A 10 -3.317 7.793 8.525 1.00 1.54 H new ATOM 0 HH11 ARG A 10 0.103 7.543 9.490 1.00 51.35 H new ATOM 0 HH12 ARG A 10 -0.026 8.861 10.659 1.00 51.35 H new ATOM 0 HH21 ARG A 10 -3.445 9.456 10.034 1.00 64.13 H new ATOM 0 HH22 ARG A 10 -2.021 9.935 10.963 1.00 64.13 H new ATOM 167 N TRP A 11 -1.270 1.092 6.191 1.00 33.12 N ATOM 168 CA TRP A 11 -0.733 0.026 5.317 1.00 13.31 C ATOM 169 C TRP A 11 -1.831 -0.995 4.982 1.00 74.45 C ATOM 170 O TRP A 11 -1.854 -1.538 3.872 1.00 11.33 O ATOM 171 CB TRP A 11 0.498 -0.686 5.944 1.00 50.40 C ATOM 172 CG TRP A 11 1.760 0.145 5.940 1.00 51.44 C ATOM 173 CD1 TRP A 11 2.449 0.602 7.020 1.00 13.43 C ATOM 174 CD2 TRP A 11 2.475 0.626 4.784 1.00 71.23 C ATOM 175 NE1 TRP A 11 3.548 1.307 6.616 1.00 12.50 N ATOM 176 CE2 TRP A 11 3.589 1.337 5.255 1.00 51.52 C ATOM 177 CE3 TRP A 11 2.285 0.522 3.401 1.00 51.32 C ATOM 178 CZ2 TRP A 11 4.512 1.942 4.404 1.00 61.23 C ATOM 179 CZ3 TRP A 11 3.198 1.122 2.555 1.00 0.43 C ATOM 180 CH2 TRP A 11 4.301 1.823 3.058 1.00 13.10 C ATOM 0 H TRP A 11 -0.888 1.088 7.137 1.00 33.12 H new ATOM 0 HA TRP A 11 -0.394 0.503 4.397 1.00 13.31 H new ATOM 0 HB2 TRP A 11 0.260 -0.961 6.972 1.00 50.40 H new ATOM 0 HB3 TRP A 11 0.684 -1.612 5.401 1.00 50.40 H new ATOM 0 HD1 TRP A 11 2.168 0.432 8.049 1.00 13.43 H new ATOM 0 HE1 TRP A 11 4.230 1.742 7.237 1.00 12.50 H new ATOM 0 HE3 TRP A 11 1.439 -0.018 3.002 1.00 51.32 H new ATOM 0 HZ2 TRP A 11 5.361 2.484 4.793 1.00 61.23 H new ATOM 0 HZ3 TRP A 11 3.058 1.049 1.487 1.00 0.43 H new ATOM 0 HH2 TRP A 11 4.998 2.278 2.370 1.00 13.10 H new ATOM 191 N GLN A 12 -2.746 -1.233 5.958 1.00 73.31 N ATOM 192 CA GLN A 12 -3.964 -2.032 5.737 1.00 52.31 C ATOM 193 C GLN A 12 -4.787 -1.356 4.646 1.00 75.54 C ATOM 194 O GLN A 12 -5.164 -1.985 3.679 1.00 3.41 O ATOM 195 CB GLN A 12 -4.844 -2.177 7.026 1.00 41.42 C ATOM 196 CG GLN A 12 -4.261 -3.058 8.139 1.00 22.31 C ATOM 197 CD GLN A 12 -5.201 -3.197 9.341 1.00 40.23 C ATOM 198 OE1 GLN A 12 -5.149 -2.407 10.286 1.00 30.12 O ATOM 199 NE2 GLN A 12 -6.090 -4.181 9.307 1.00 73.33 N ATOM 0 H GLN A 12 -2.655 -0.877 6.909 1.00 73.31 H new ATOM 0 HA GLN A 12 -3.655 -3.037 5.448 1.00 52.31 H new ATOM 0 HB2 GLN A 12 -5.024 -1.182 7.433 1.00 41.42 H new ATOM 0 HB3 GLN A 12 -5.813 -2.584 6.737 1.00 41.42 H new ATOM 0 HG2 GLN A 12 -4.045 -4.048 7.737 1.00 22.31 H new ATOM 0 HG3 GLN A 12 -3.313 -2.635 8.472 1.00 22.31 H new ATOM 0 HE21 GLN A 12 -6.112 -4.821 8.513 1.00 73.33 H new ATOM 0 HE22 GLN A 12 -6.752 -4.297 10.075 1.00 73.33 H new ATOM 208 N ARG A 13 -4.972 -0.033 4.806 1.00 43.23 N ATOM 209 CA ARG A 13 -5.807 0.785 3.919 1.00 54.13 C ATOM 210 C ARG A 13 -5.310 0.720 2.450 1.00 4.21 C ATOM 211 O ARG A 13 -6.106 0.480 1.552 1.00 32.41 O ATOM 212 CB ARG A 13 -5.853 2.254 4.436 1.00 64.34 C ATOM 213 CG ARG A 13 -6.803 3.194 3.657 1.00 75.20 C ATOM 214 CD ARG A 13 -8.272 2.739 3.705 1.00 63.12 C ATOM 215 NE ARG A 13 -9.141 3.644 2.937 1.00 1.41 N ATOM 216 CZ ARG A 13 -10.384 3.364 2.514 1.00 32.41 C ATOM 217 NH1 ARG A 13 -10.954 2.184 2.770 1.00 3.43 N ATOM 218 NH2 ARG A 13 -11.054 4.278 1.819 1.00 13.24 N ATOM 0 H ARG A 13 -4.541 0.499 5.562 1.00 43.23 H new ATOM 0 HA ARG A 13 -6.819 0.381 3.931 1.00 54.13 H new ATOM 0 HB2 ARG A 13 -6.154 2.245 5.483 1.00 64.34 H new ATOM 0 HB3 ARG A 13 -4.845 2.668 4.398 1.00 64.34 H new ATOM 0 HG2 ARG A 13 -6.727 4.201 4.068 1.00 75.20 H new ATOM 0 HG3 ARG A 13 -6.479 3.249 2.618 1.00 75.20 H new ATOM 0 HD2 ARG A 13 -8.354 1.728 3.306 1.00 63.12 H new ATOM 0 HD3 ARG A 13 -8.609 2.701 4.741 1.00 63.12 H new ATOM 0 HE ARG A 13 -8.767 4.564 2.706 1.00 1.41 H new ATOM 0 HH11 ARG A 13 -10.444 1.475 3.296 1.00 3.43 H new ATOM 0 HH12 ARG A 13 -11.900 1.992 2.439 1.00 3.43 H new ATOM 0 HH21 ARG A 13 -10.623 5.179 1.613 1.00 13.24 H new ATOM 0 HH22 ARG A 13 -11.999 4.078 1.492 1.00 13.24 H new ATOM 232 N ILE A 14 -3.981 0.877 2.232 1.00 11.52 N ATOM 233 CA ILE A 14 -3.381 0.843 0.871 1.00 43.42 C ATOM 234 C ILE A 14 -3.505 -0.579 0.268 1.00 2.40 C ATOM 235 O ILE A 14 -3.897 -0.744 -0.891 1.00 75.31 O ATOM 236 CB ILE A 14 -1.852 1.252 0.867 1.00 62.31 C ATOM 237 CG1 ILE A 14 -1.588 2.568 1.652 1.00 61.44 C ATOM 238 CG2 ILE A 14 -1.330 1.403 -0.583 1.00 20.43 C ATOM 239 CD1 ILE A 14 -0.110 2.849 1.891 1.00 2.13 C ATOM 0 H ILE A 14 -3.303 1.028 2.979 1.00 11.52 H new ATOM 0 HA ILE A 14 -3.932 1.570 0.274 1.00 43.42 H new ATOM 0 HB ILE A 14 -1.314 0.449 1.370 1.00 62.31 H new ATOM 0 HG12 ILE A 14 -2.024 3.403 1.103 1.00 61.44 H new ATOM 0 HG13 ILE A 14 -2.100 2.517 2.613 1.00 61.44 H new ATOM 0 HG21 ILE A 14 -0.277 1.684 -0.563 1.00 20.43 H new ATOM 0 HG22 ILE A 14 -1.443 0.456 -1.111 1.00 20.43 H new ATOM 0 HG23 ILE A 14 -1.902 2.175 -1.097 1.00 20.43 H new ATOM 0 HD11 ILE A 14 -0.002 3.782 2.444 1.00 2.13 H new ATOM 0 HD12 ILE A 14 0.327 2.033 2.467 1.00 2.13 H new ATOM 0 HD13 ILE A 14 0.404 2.933 0.933 1.00 2.13 H new ATOM 251 N ALA A 15 -3.176 -1.595 1.101 1.00 15.42 N ATOM 252 CA ALA A 15 -3.180 -3.027 0.716 1.00 73.31 C ATOM 253 C ALA A 15 -4.590 -3.508 0.313 1.00 42.33 C ATOM 254 O ALA A 15 -4.773 -4.204 -0.694 1.00 53.25 O ATOM 255 CB ALA A 15 -2.661 -3.869 1.892 1.00 14.41 C ATOM 0 H ALA A 15 -2.897 -1.442 2.070 1.00 15.42 H new ATOM 0 HA ALA A 15 -2.530 -3.147 -0.151 1.00 73.31 H new ATOM 0 HB1 ALA A 15 -2.662 -4.923 1.613 1.00 14.41 H new ATOM 0 HB2 ALA A 15 -1.645 -3.560 2.140 1.00 14.41 H new ATOM 0 HB3 ALA A 15 -3.307 -3.722 2.758 1.00 14.41 H new ATOM 261 N LEU A 16 -5.574 -3.075 1.108 1.00 65.14 N ATOM 262 CA LEU A 16 -6.994 -3.483 0.969 1.00 74.31 C ATOM 263 C LEU A 16 -7.637 -2.766 -0.220 1.00 62.24 C ATOM 264 O LEU A 16 -8.426 -3.364 -0.957 1.00 34.10 O ATOM 265 CB LEU A 16 -7.798 -3.182 2.275 1.00 35.43 C ATOM 266 CG LEU A 16 -7.429 -4.044 3.528 1.00 45.23 C ATOM 267 CD1 LEU A 16 -8.145 -3.525 4.802 1.00 44.51 C ATOM 268 CD2 LEU A 16 -7.709 -5.541 3.281 1.00 52.20 C ATOM 0 H LEU A 16 -5.415 -2.424 1.877 1.00 65.14 H new ATOM 0 HA LEU A 16 -7.020 -4.559 0.794 1.00 74.31 H new ATOM 0 HB2 LEU A 16 -7.658 -2.131 2.529 1.00 35.43 H new ATOM 0 HB3 LEU A 16 -8.858 -3.321 2.064 1.00 35.43 H new ATOM 0 HG LEU A 16 -6.357 -3.941 3.698 1.00 45.23 H new ATOM 0 HD11 LEU A 16 -7.867 -4.146 5.654 1.00 44.51 H new ATOM 0 HD12 LEU A 16 -7.848 -2.494 4.992 1.00 44.51 H new ATOM 0 HD13 LEU A 16 -9.224 -3.570 4.657 1.00 44.51 H new ATOM 0 HD21 LEU A 16 -7.442 -6.113 4.170 1.00 52.20 H new ATOM 0 HD22 LEU A 16 -8.768 -5.682 3.063 1.00 52.20 H new ATOM 0 HD23 LEU A 16 -7.115 -5.887 2.435 1.00 52.20 H new ATOM 280 N LEU A 17 -7.286 -1.473 -0.394 1.00 62.20 N ATOM 281 CA LEU A 17 -7.759 -0.668 -1.535 1.00 74.51 C ATOM 282 C LEU A 17 -7.224 -1.252 -2.845 1.00 61.21 C ATOM 283 O LEU A 17 -8.002 -1.508 -3.737 1.00 40.20 O ATOM 284 CB LEU A 17 -7.380 0.842 -1.390 1.00 22.13 C ATOM 285 CG LEU A 17 -8.258 1.666 -0.391 1.00 43.21 C ATOM 286 CD1 LEU A 17 -7.712 3.097 -0.208 1.00 64.22 C ATOM 287 CD2 LEU A 17 -9.739 1.676 -0.836 1.00 40.34 C ATOM 0 H LEU A 17 -6.674 -0.966 0.245 1.00 62.20 H new ATOM 0 HA LEU A 17 -8.848 -0.714 -1.548 1.00 74.51 H new ATOM 0 HB2 LEU A 17 -6.340 0.908 -1.071 1.00 22.13 H new ATOM 0 HB3 LEU A 17 -7.443 1.310 -2.372 1.00 22.13 H new ATOM 0 HG LEU A 17 -8.207 1.176 0.581 1.00 43.21 H new ATOM 0 HD11 LEU A 17 -8.346 3.641 0.492 1.00 64.22 H new ATOM 0 HD12 LEU A 17 -6.695 3.051 0.183 1.00 64.22 H new ATOM 0 HD13 LEU A 17 -7.709 3.611 -1.169 1.00 64.22 H new ATOM 0 HD21 LEU A 17 -10.329 2.255 -0.125 1.00 40.34 H new ATOM 0 HD22 LEU A 17 -9.819 2.126 -1.825 1.00 40.34 H new ATOM 0 HD23 LEU A 17 -10.115 0.654 -0.871 1.00 40.34 H new ATOM 299 N SER A 18 -5.905 -1.530 -2.916 1.00 64.10 N ATOM 300 CA SER A 18 -5.265 -2.089 -4.133 1.00 22.11 C ATOM 301 C SER A 18 -5.783 -3.516 -4.443 1.00 12.40 C ATOM 302 O SER A 18 -5.833 -3.924 -5.610 1.00 61.34 O ATOM 303 CB SER A 18 -3.731 -2.101 -3.982 1.00 54.31 C ATOM 304 OG SER A 18 -3.334 -2.905 -2.887 1.00 45.44 O ATOM 0 H SER A 18 -5.257 -1.377 -2.143 1.00 64.10 H new ATOM 0 HA SER A 18 -5.533 -1.445 -4.970 1.00 22.11 H new ATOM 0 HB2 SER A 18 -3.275 -2.477 -4.898 1.00 54.31 H new ATOM 0 HB3 SER A 18 -3.368 -1.083 -3.840 1.00 54.31 H new ATOM 0 HG SER A 18 -3.444 -2.401 -2.054 1.00 45.44 H new ATOM 310 N GLN A 19 -6.156 -4.265 -3.370 1.00 54.24 N ATOM 311 CA GLN A 19 -6.811 -5.588 -3.492 1.00 33.53 C ATOM 312 C GLN A 19 -8.180 -5.440 -4.183 1.00 51.13 C ATOM 313 O GLN A 19 -8.499 -6.149 -5.152 1.00 2.34 O ATOM 314 CB GLN A 19 -6.968 -6.254 -2.093 1.00 0.43 C ATOM 315 CG GLN A 19 -7.490 -7.703 -2.135 1.00 14.24 C ATOM 316 CD GLN A 19 -6.496 -8.673 -2.779 1.00 72.03 C ATOM 317 OE1 GLN A 19 -5.695 -9.343 -1.970 1.00 22.42 O flip ATOM 318 NE2 GLN A 19 -6.465 -8.839 -4.001 1.00 2.51 N flip ATOM 0 H GLN A 19 -6.011 -3.968 -2.405 1.00 54.24 H new ATOM 0 HA GLN A 19 -6.182 -6.234 -4.104 1.00 33.53 H new ATOM 0 HB2 GLN A 19 -6.002 -6.243 -1.588 1.00 0.43 H new ATOM 0 HB3 GLN A 19 -7.649 -5.652 -1.492 1.00 0.43 H new ATOM 0 HG2 GLN A 19 -7.709 -8.035 -1.120 1.00 14.24 H new ATOM 0 HG3 GLN A 19 -8.428 -7.730 -2.689 1.00 14.24 H new ATOM 0 HE21 GLN A 19 -7.094 -8.309 -4.604 1.00 2.51 H new ATOM 0 HE22 GLN A 19 -5.810 -9.506 -4.409 1.00 2.51 H new ATOM 327 N SER A 20 -8.946 -4.453 -3.688 1.00 41.20 N ATOM 328 CA SER A 20 -10.271 -4.109 -4.210 1.00 12.40 C ATOM 329 C SER A 20 -10.170 -3.668 -5.680 1.00 15.54 C ATOM 330 O SER A 20 -10.873 -4.193 -6.531 1.00 0.32 O ATOM 331 CB SER A 20 -10.894 -2.990 -3.347 1.00 42.13 C ATOM 332 OG SER A 20 -11.038 -3.410 -1.998 1.00 42.33 O ATOM 0 H SER A 20 -8.655 -3.867 -2.905 1.00 41.20 H new ATOM 0 HA SER A 20 -10.913 -4.989 -4.164 1.00 12.40 H new ATOM 0 HB2 SER A 20 -10.266 -2.100 -3.390 1.00 42.13 H new ATOM 0 HB3 SER A 20 -11.867 -2.713 -3.752 1.00 42.13 H new ATOM 0 HG SER A 20 -10.160 -3.421 -1.563 1.00 42.33 H new ATOM 338 N LEU A 21 -9.210 -2.759 -5.954 1.00 4.45 N ATOM 339 CA LEU A 21 -8.975 -2.179 -7.287 1.00 44.34 C ATOM 340 C LEU A 21 -8.621 -3.288 -8.292 1.00 23.24 C ATOM 341 O LEU A 21 -9.063 -3.254 -9.439 1.00 22.33 O ATOM 342 CB LEU A 21 -7.828 -1.115 -7.243 1.00 54.31 C ATOM 343 CG LEU A 21 -8.049 0.134 -6.330 1.00 75.12 C ATOM 344 CD1 LEU A 21 -6.811 1.065 -6.329 1.00 53.45 C ATOM 345 CD2 LEU A 21 -9.332 0.891 -6.705 1.00 34.32 C ATOM 0 H LEU A 21 -8.570 -2.405 -5.244 1.00 4.45 H new ATOM 0 HA LEU A 21 -9.891 -1.683 -7.606 1.00 44.34 H new ATOM 0 HB2 LEU A 21 -6.916 -1.615 -6.917 1.00 54.31 H new ATOM 0 HB3 LEU A 21 -7.653 -0.764 -8.260 1.00 54.31 H new ATOM 0 HG LEU A 21 -8.179 -0.229 -5.310 1.00 75.12 H new ATOM 0 HD11 LEU A 21 -7.001 1.923 -5.684 1.00 53.45 H new ATOM 0 HD12 LEU A 21 -5.944 0.517 -5.959 1.00 53.45 H new ATOM 0 HD13 LEU A 21 -6.615 1.411 -7.344 1.00 53.45 H new ATOM 0 HD21 LEU A 21 -9.451 1.753 -6.048 1.00 34.32 H new ATOM 0 HD22 LEU A 21 -9.266 1.229 -7.739 1.00 34.32 H new ATOM 0 HD23 LEU A 21 -10.191 0.229 -6.594 1.00 34.32 H new ATOM 357 N LEU A 22 -7.832 -4.282 -7.817 1.00 12.31 N ATOM 358 CA LEU A 22 -7.409 -5.442 -8.623 1.00 14.12 C ATOM 359 C LEU A 22 -8.629 -6.254 -9.091 1.00 71.10 C ATOM 360 O LEU A 22 -8.856 -6.436 -10.310 1.00 2.42 O ATOM 361 CB LEU A 22 -6.407 -6.325 -7.824 1.00 12.20 C ATOM 362 CG LEU A 22 -5.795 -7.547 -8.585 1.00 5.20 C ATOM 363 CD1 LEU A 22 -5.112 -7.121 -9.904 1.00 41.51 C ATOM 364 CD2 LEU A 22 -4.819 -8.330 -7.677 1.00 11.22 C ATOM 0 H LEU A 22 -7.473 -4.297 -6.862 1.00 12.31 H new ATOM 0 HA LEU A 22 -6.895 -5.079 -9.513 1.00 14.12 H new ATOM 0 HB2 LEU A 22 -5.589 -5.690 -7.484 1.00 12.20 H new ATOM 0 HB3 LEU A 22 -6.914 -6.696 -6.934 1.00 12.20 H new ATOM 0 HG LEU A 22 -6.618 -8.211 -8.851 1.00 5.20 H new ATOM 0 HD11 LEU A 22 -4.700 -8.000 -10.401 1.00 41.51 H new ATOM 0 HD12 LEU A 22 -5.845 -6.645 -10.556 1.00 41.51 H new ATOM 0 HD13 LEU A 22 -4.308 -6.417 -9.687 1.00 41.51 H new ATOM 0 HD21 LEU A 22 -4.407 -9.175 -8.229 1.00 11.22 H new ATOM 0 HD22 LEU A 22 -4.009 -7.673 -7.361 1.00 11.22 H new ATOM 0 HD23 LEU A 22 -5.352 -8.696 -6.799 1.00 11.22 H new ATOM 376 N GLU A 23 -9.441 -6.673 -8.107 1.00 42.24 N ATOM 377 CA GLU A 23 -10.640 -7.483 -8.353 1.00 2.21 C ATOM 378 C GLU A 23 -11.635 -6.760 -9.285 1.00 35.01 C ATOM 379 O GLU A 23 -11.967 -7.268 -10.357 1.00 71.23 O ATOM 380 CB GLU A 23 -11.304 -7.820 -7.005 1.00 24.54 C ATOM 381 CG GLU A 23 -10.413 -8.655 -6.062 1.00 14.51 C ATOM 382 CD GLU A 23 -10.999 -8.867 -4.662 1.00 64.43 C ATOM 383 OE1 GLU A 23 -12.232 -9.028 -4.527 1.00 22.14 O ATOM 384 OE2 GLU A 23 -10.224 -8.934 -3.690 1.00 71.32 O ATOM 0 H GLU A 23 -9.284 -6.459 -7.122 1.00 42.24 H new ATOM 0 HA GLU A 23 -10.343 -8.403 -8.857 1.00 2.21 H new ATOM 0 HB2 GLU A 23 -11.577 -6.892 -6.503 1.00 24.54 H new ATOM 0 HB3 GLU A 23 -12.229 -8.365 -7.193 1.00 24.54 H new ATOM 0 HG2 GLU A 23 -10.233 -9.628 -6.519 1.00 14.51 H new ATOM 0 HG3 GLU A 23 -9.445 -8.164 -5.967 1.00 14.51 H new ATOM 391 N LEU A 24 -12.019 -5.539 -8.876 1.00 23.33 N ATOM 392 CA LEU A 24 -13.026 -4.700 -9.560 1.00 41.23 C ATOM 393 C LEU A 24 -12.629 -4.406 -11.019 1.00 74.00 C ATOM 394 O LEU A 24 -13.475 -4.430 -11.906 1.00 15.02 O ATOM 395 CB LEU A 24 -13.238 -3.380 -8.764 1.00 42.42 C ATOM 396 CG LEU A 24 -13.775 -3.558 -7.307 1.00 1.54 C ATOM 397 CD1 LEU A 24 -13.731 -2.232 -6.517 1.00 51.50 C ATOM 398 CD2 LEU A 24 -15.179 -4.193 -7.307 1.00 23.01 C ATOM 0 H LEU A 24 -11.632 -5.095 -8.043 1.00 23.33 H new ATOM 0 HA LEU A 24 -13.965 -5.252 -9.592 1.00 41.23 H new ATOM 0 HB2 LEU A 24 -12.290 -2.844 -8.721 1.00 42.42 H new ATOM 0 HB3 LEU A 24 -13.935 -2.750 -9.316 1.00 42.42 H new ATOM 0 HG LEU A 24 -13.110 -4.249 -6.788 1.00 1.54 H new ATOM 0 HD11 LEU A 24 -14.112 -2.396 -5.509 1.00 51.50 H new ATOM 0 HD12 LEU A 24 -12.703 -1.875 -6.462 1.00 51.50 H new ATOM 0 HD13 LEU A 24 -14.347 -1.488 -7.021 1.00 51.50 H new ATOM 0 HD21 LEU A 24 -15.528 -4.305 -6.280 1.00 23.01 H new ATOM 0 HD22 LEU A 24 -15.868 -3.552 -7.856 1.00 23.01 H new ATOM 0 HD23 LEU A 24 -15.136 -5.172 -7.784 1.00 23.01 H new ATOM 410 N ALA A 25 -11.325 -4.175 -11.251 1.00 61.44 N ATOM 411 CA ALA A 25 -10.768 -3.962 -12.603 1.00 74.01 C ATOM 412 C ALA A 25 -10.962 -5.189 -13.495 1.00 72.11 C ATOM 413 O ALA A 25 -11.363 -5.068 -14.662 1.00 12.42 O ATOM 414 CB ALA A 25 -9.286 -3.644 -12.511 1.00 5.12 C ATOM 0 H ALA A 25 -10.626 -4.130 -10.509 1.00 61.44 H new ATOM 0 HA ALA A 25 -11.305 -3.124 -13.049 1.00 74.01 H new ATOM 0 HB1 ALA A 25 -8.884 -3.489 -13.512 1.00 5.12 H new ATOM 0 HB2 ALA A 25 -9.144 -2.740 -11.919 1.00 5.12 H new ATOM 0 HB3 ALA A 25 -8.764 -4.475 -12.036 1.00 5.12 H new ATOM 420 N GLN A 26 -10.667 -6.372 -12.923 1.00 74.30 N ATOM 421 CA GLN A 26 -10.849 -7.661 -13.623 1.00 12.52 C ATOM 422 C GLN A 26 -12.354 -8.041 -13.740 1.00 50.40 C ATOM 423 O GLN A 26 -12.712 -8.924 -14.519 1.00 20.41 O ATOM 424 CB GLN A 26 -10.019 -8.769 -12.914 1.00 12.04 C ATOM 425 CG GLN A 26 -8.502 -8.459 -12.844 1.00 45.45 C ATOM 426 CD GLN A 26 -7.667 -9.526 -12.123 1.00 33.35 C ATOM 427 OE1 GLN A 26 -8.151 -10.235 -11.240 1.00 53.32 O ATOM 428 NE2 GLN A 26 -6.390 -9.623 -12.469 1.00 14.21 N ATOM 0 H GLN A 26 -10.301 -6.463 -11.975 1.00 74.30 H new ATOM 0 HA GLN A 26 -10.479 -7.560 -14.643 1.00 12.52 H new ATOM 0 HB2 GLN A 26 -10.400 -8.906 -11.902 1.00 12.04 H new ATOM 0 HB3 GLN A 26 -10.165 -9.713 -13.440 1.00 12.04 H new ATOM 0 HG2 GLN A 26 -8.121 -8.342 -13.858 1.00 45.45 H new ATOM 0 HG3 GLN A 26 -8.362 -7.503 -12.338 1.00 45.45 H new ATOM 0 HE21 GLN A 26 -6.014 -9.024 -13.204 1.00 14.21 H new ATOM 0 HE22 GLN A 26 -5.784 -10.297 -12.000 1.00 14.21 H new ATOM 437 N ARG A 27 -13.226 -7.358 -12.956 1.00 11.34 N ATOM 438 CA ARG A 27 -14.708 -7.462 -13.086 1.00 15.44 C ATOM 439 C ARG A 27 -15.261 -6.445 -14.121 1.00 72.50 C ATOM 440 O ARG A 27 -16.472 -6.406 -14.365 1.00 55.33 O ATOM 441 CB ARG A 27 -15.398 -7.221 -11.707 1.00 1.32 C ATOM 442 CG ARG A 27 -14.934 -8.164 -10.571 1.00 15.54 C ATOM 443 CD ARG A 27 -15.584 -7.848 -9.198 1.00 34.14 C ATOM 444 NE ARG A 27 -14.813 -8.404 -8.065 1.00 43.33 N ATOM 445 CZ ARG A 27 -14.760 -9.696 -7.692 1.00 2.50 C ATOM 446 NH1 ARG A 27 -15.425 -10.639 -8.349 1.00 54.42 N ATOM 447 NH2 ARG A 27 -14.036 -10.035 -6.638 1.00 14.34 N ATOM 0 H ARG A 27 -12.927 -6.721 -12.218 1.00 11.34 H new ATOM 0 HA ARG A 27 -14.932 -8.470 -13.435 1.00 15.44 H new ATOM 0 HB2 ARG A 27 -15.215 -6.191 -11.401 1.00 1.32 H new ATOM 0 HB3 ARG A 27 -16.475 -7.330 -11.832 1.00 1.32 H new ATOM 0 HG2 ARG A 27 -15.167 -9.193 -10.846 1.00 15.54 H new ATOM 0 HG3 ARG A 27 -13.850 -8.098 -10.475 1.00 15.54 H new ATOM 0 HD2 ARG A 27 -15.669 -6.768 -9.080 1.00 34.14 H new ATOM 0 HD3 ARG A 27 -16.596 -8.252 -9.177 1.00 34.14 H new ATOM 0 HE ARG A 27 -14.268 -7.743 -7.512 1.00 43.33 H new ATOM 0 HH11 ARG A 27 -15.994 -10.392 -9.159 1.00 54.42 H new ATOM 0 HH12 ARG A 27 -15.367 -11.611 -8.044 1.00 54.42 H new ATOM 0 HH21 ARG A 27 -13.526 -9.321 -6.118 1.00 14.34 H new ATOM 0 HH22 ARG A 27 -13.988 -11.011 -6.345 1.00 14.34 H new ATOM 461 N GLY A 28 -14.369 -5.609 -14.703 1.00 53.13 N ATOM 462 CA GLY A 28 -14.763 -4.583 -15.694 1.00 22.11 C ATOM 463 C GLY A 28 -15.225 -3.265 -15.071 1.00 25.34 C ATOM 464 O GLY A 28 -15.572 -2.317 -15.788 1.00 4.43 O ATOM 0 H GLY A 28 -13.369 -5.626 -14.502 1.00 53.13 H new ATOM 0 HA2 GLY A 28 -13.918 -4.385 -16.353 1.00 22.11 H new ATOM 0 HA3 GLY A 28 -15.565 -4.981 -16.315 1.00 22.11 H new ATOM 468 N GLU A 29 -15.213 -3.211 -13.736 1.00 54.51 N ATOM 469 CA GLU A 29 -15.683 -2.065 -12.939 1.00 70.54 C ATOM 470 C GLU A 29 -14.575 -1.008 -12.772 1.00 51.15 C ATOM 471 O GLU A 29 -14.062 -0.789 -11.665 1.00 74.32 O ATOM 472 CB GLU A 29 -16.175 -2.572 -11.556 1.00 61.51 C ATOM 473 CG GLU A 29 -17.248 -3.669 -11.624 1.00 21.12 C ATOM 474 CD GLU A 29 -18.528 -3.207 -12.337 1.00 54.51 C ATOM 475 OE1 GLU A 29 -19.325 -2.463 -11.724 1.00 1.23 O ATOM 476 OE2 GLU A 29 -18.741 -3.570 -13.518 1.00 34.44 O ATOM 0 H GLU A 29 -14.868 -3.980 -13.162 1.00 54.51 H new ATOM 0 HA GLU A 29 -16.510 -1.586 -13.463 1.00 70.54 H new ATOM 0 HB2 GLU A 29 -15.320 -2.952 -10.997 1.00 61.51 H new ATOM 0 HB3 GLU A 29 -16.573 -1.727 -10.994 1.00 61.51 H new ATOM 0 HG2 GLU A 29 -16.841 -4.537 -12.143 1.00 21.12 H new ATOM 0 HG3 GLU A 29 -17.497 -3.991 -10.613 1.00 21.12 H new ATOM 483 N TRP A 30 -14.222 -0.352 -13.890 1.00 74.13 N ATOM 484 CA TRP A 30 -13.203 0.721 -13.912 1.00 51.02 C ATOM 485 C TRP A 30 -13.711 1.958 -13.152 1.00 75.31 C ATOM 486 O TRP A 30 -12.922 2.707 -12.576 1.00 3.41 O ATOM 487 CB TRP A 30 -12.837 1.094 -15.373 1.00 32.54 C ATOM 488 CG TRP A 30 -12.439 -0.100 -16.211 1.00 5.00 C ATOM 489 CD1 TRP A 30 -13.156 -0.670 -17.230 1.00 21.24 C ATOM 490 CD2 TRP A 30 -11.245 -0.888 -16.078 1.00 43.40 C ATOM 491 NE1 TRP A 30 -12.484 -1.750 -17.733 1.00 0.01 N ATOM 492 CE2 TRP A 30 -11.308 -1.903 -17.050 1.00 10.35 C ATOM 493 CE3 TRP A 30 -10.127 -0.832 -15.237 1.00 31.14 C ATOM 494 CZ2 TRP A 30 -10.306 -2.854 -17.202 1.00 73.13 C ATOM 495 CZ3 TRP A 30 -9.132 -1.777 -15.396 1.00 20.33 C ATOM 496 CH2 TRP A 30 -9.227 -2.776 -16.370 1.00 21.25 C ATOM 0 H TRP A 30 -14.631 -0.547 -14.804 1.00 74.13 H new ATOM 0 HA TRP A 30 -12.305 0.354 -13.416 1.00 51.02 H new ATOM 0 HB2 TRP A 30 -13.689 1.589 -15.839 1.00 32.54 H new ATOM 0 HB3 TRP A 30 -12.017 1.812 -15.363 1.00 32.54 H new ATOM 0 HD1 TRP A 30 -14.113 -0.318 -17.585 1.00 21.24 H new ATOM 0 HE1 TRP A 30 -12.808 -2.346 -18.495 1.00 0.01 H new ATOM 0 HE3 TRP A 30 -10.044 -0.066 -14.480 1.00 31.14 H new ATOM 0 HZ2 TRP A 30 -10.379 -3.628 -17.952 1.00 73.13 H new ATOM 0 HZ3 TRP A 30 -8.263 -1.744 -14.755 1.00 20.33 H new ATOM 0 HH2 TRP A 30 -8.431 -3.500 -16.466 1.00 21.25 H new ATOM 507 N ASP A 31 -15.050 2.121 -13.151 1.00 72.33 N ATOM 508 CA ASP A 31 -15.769 3.186 -12.418 1.00 22.32 C ATOM 509 C ASP A 31 -15.380 3.211 -10.934 1.00 3.41 C ATOM 510 O ASP A 31 -15.053 4.263 -10.379 1.00 23.14 O ATOM 511 CB ASP A 31 -17.299 2.962 -12.541 1.00 63.41 C ATOM 512 CG ASP A 31 -17.775 2.975 -13.999 1.00 3.25 C ATOM 513 OD1 ASP A 31 -18.116 4.063 -14.516 1.00 14.32 O ATOM 514 OD2 ASP A 31 -17.762 1.903 -14.652 1.00 42.10 O ATOM 0 H ASP A 31 -15.675 1.504 -13.670 1.00 72.33 H new ATOM 0 HA ASP A 31 -15.491 4.142 -12.861 1.00 22.32 H new ATOM 0 HB2 ASP A 31 -17.562 2.008 -12.084 1.00 63.41 H new ATOM 0 HB3 ASP A 31 -17.823 3.738 -11.983 1.00 63.41 H new ATOM 519 N LEU A 32 -15.372 2.010 -10.332 1.00 64.55 N ATOM 520 CA LEU A 32 -15.115 1.824 -8.898 1.00 62.34 C ATOM 521 C LEU A 32 -13.635 2.114 -8.565 1.00 31.24 C ATOM 522 O LEU A 32 -13.323 2.519 -7.449 1.00 33.23 O ATOM 523 CB LEU A 32 -15.542 0.394 -8.456 1.00 24.24 C ATOM 524 CG LEU A 32 -17.038 0.009 -8.736 1.00 0.40 C ATOM 525 CD1 LEU A 32 -17.374 -1.395 -8.194 1.00 23.34 C ATOM 526 CD2 LEU A 32 -18.017 1.061 -8.181 1.00 13.32 C ATOM 0 H LEU A 32 -15.545 1.137 -10.831 1.00 64.55 H new ATOM 0 HA LEU A 32 -15.716 2.538 -8.335 1.00 62.34 H new ATOM 0 HB2 LEU A 32 -14.900 -0.328 -8.961 1.00 24.24 H new ATOM 0 HB3 LEU A 32 -15.355 0.294 -7.387 1.00 24.24 H new ATOM 0 HG LEU A 32 -17.159 -0.012 -9.819 1.00 0.40 H new ATOM 0 HD11 LEU A 32 -18.418 -1.627 -8.406 1.00 23.34 H new ATOM 0 HD12 LEU A 32 -16.733 -2.134 -8.675 1.00 23.34 H new ATOM 0 HD13 LEU A 32 -17.209 -1.418 -7.117 1.00 23.34 H new ATOM 0 HD21 LEU A 32 -19.041 0.755 -8.397 1.00 13.32 H new ATOM 0 HD22 LEU A 32 -17.884 1.149 -7.103 1.00 13.32 H new ATOM 0 HD23 LEU A 32 -17.820 2.025 -8.650 1.00 13.32 H new ATOM 538 N LEU A 33 -12.740 1.932 -9.568 1.00 20.15 N ATOM 539 CA LEU A 33 -11.311 2.322 -9.456 1.00 54.11 C ATOM 540 C LEU A 33 -11.172 3.854 -9.446 1.00 44.12 C ATOM 541 O LEU A 33 -10.410 4.401 -8.653 1.00 60.12 O ATOM 542 CB LEU A 33 -10.431 1.709 -10.600 1.00 64.32 C ATOM 543 CG LEU A 33 -9.951 0.234 -10.397 1.00 14.30 C ATOM 544 CD1 LEU A 33 -11.120 -0.768 -10.402 1.00 74.43 C ATOM 545 CD2 LEU A 33 -8.854 -0.142 -11.422 1.00 63.32 C ATOM 0 H LEU A 33 -12.984 1.516 -10.467 1.00 20.15 H new ATOM 0 HA LEU A 33 -10.944 1.917 -8.513 1.00 54.11 H new ATOM 0 HB2 LEU A 33 -10.997 1.759 -11.530 1.00 64.32 H new ATOM 0 HB3 LEU A 33 -9.551 2.339 -10.729 1.00 64.32 H new ATOM 0 HG LEU A 33 -9.505 0.173 -9.404 1.00 14.30 H new ATOM 0 HD11 LEU A 33 -10.735 -1.777 -10.258 1.00 74.43 H new ATOM 0 HD12 LEU A 33 -11.811 -0.525 -9.595 1.00 74.43 H new ATOM 0 HD13 LEU A 33 -11.643 -0.712 -11.357 1.00 74.43 H new ATOM 0 HD21 LEU A 33 -8.540 -1.173 -11.257 1.00 63.32 H new ATOM 0 HD22 LEU A 33 -9.250 -0.041 -12.432 1.00 63.32 H new ATOM 0 HD23 LEU A 33 -7.999 0.522 -11.300 1.00 63.32 H new ATOM 557 N LEU A 34 -11.934 4.521 -10.331 1.00 44.02 N ATOM 558 CA LEU A 34 -11.928 5.999 -10.467 1.00 62.23 C ATOM 559 C LEU A 34 -12.466 6.683 -9.188 1.00 73.01 C ATOM 560 O LEU A 34 -12.003 7.767 -8.809 1.00 52.45 O ATOM 561 CB LEU A 34 -12.767 6.413 -11.712 1.00 1.34 C ATOM 562 CG LEU A 34 -12.308 5.797 -13.074 1.00 51.33 C ATOM 563 CD1 LEU A 34 -13.273 6.162 -14.221 1.00 51.21 C ATOM 564 CD2 LEU A 34 -10.850 6.180 -13.408 1.00 53.13 C ATOM 0 H LEU A 34 -12.574 4.056 -10.975 1.00 44.02 H new ATOM 0 HA LEU A 34 -10.899 6.332 -10.604 1.00 62.23 H new ATOM 0 HB2 LEU A 34 -13.805 6.130 -11.538 1.00 1.34 H new ATOM 0 HB3 LEU A 34 -12.743 7.499 -11.799 1.00 1.34 H new ATOM 0 HG LEU A 34 -12.339 4.713 -12.964 1.00 51.33 H new ATOM 0 HD11 LEU A 34 -12.919 5.715 -15.150 1.00 51.21 H new ATOM 0 HD12 LEU A 34 -14.269 5.783 -13.993 1.00 51.21 H new ATOM 0 HD13 LEU A 34 -13.313 7.246 -14.332 1.00 51.21 H new ATOM 0 HD21 LEU A 34 -10.566 5.734 -14.361 1.00 53.13 H new ATOM 0 HD22 LEU A 34 -10.765 7.265 -13.475 1.00 53.13 H new ATOM 0 HD23 LEU A 34 -10.188 5.812 -12.624 1.00 53.13 H new ATOM 576 N GLN A 35 -13.438 6.024 -8.531 1.00 40.02 N ATOM 577 CA GLN A 35 -14.020 6.491 -7.256 1.00 20.42 C ATOM 578 C GLN A 35 -13.010 6.321 -6.102 1.00 21.14 C ATOM 579 O GLN A 35 -12.698 7.283 -5.388 1.00 4.20 O ATOM 580 CB GLN A 35 -15.332 5.716 -6.955 1.00 72.33 C ATOM 581 CG GLN A 35 -16.425 5.907 -8.027 1.00 73.40 C ATOM 582 CD GLN A 35 -17.694 5.089 -7.777 1.00 23.44 C ATOM 583 OE1 GLN A 35 -17.656 4.026 -7.167 1.00 53.31 O ATOM 584 NE2 GLN A 35 -18.824 5.569 -8.256 1.00 34.24 N ATOM 0 H GLN A 35 -13.844 5.151 -8.869 1.00 40.02 H new ATOM 0 HA GLN A 35 -14.254 7.552 -7.346 1.00 20.42 H new ATOM 0 HB2 GLN A 35 -15.104 4.654 -6.867 1.00 72.33 H new ATOM 0 HB3 GLN A 35 -15.722 6.040 -5.990 1.00 72.33 H new ATOM 0 HG2 GLN A 35 -16.690 6.963 -8.076 1.00 73.40 H new ATOM 0 HG3 GLN A 35 -16.016 5.635 -9.000 1.00 73.40 H new ATOM 0 HE21 GLN A 35 -18.828 6.456 -8.760 1.00 34.24 H new ATOM 0 HE22 GLN A 35 -19.694 5.054 -8.123 1.00 34.24 H new ATOM 593 N GLN A 36 -12.468 5.094 -5.972 1.00 44.40 N ATOM 594 CA GLN A 36 -11.521 4.723 -4.896 1.00 71.32 C ATOM 595 C GLN A 36 -10.114 5.307 -5.119 1.00 51.11 C ATOM 596 O GLN A 36 -9.282 5.235 -4.219 1.00 60.04 O ATOM 597 CB GLN A 36 -11.447 3.179 -4.727 1.00 61.10 C ATOM 598 CG GLN A 36 -12.761 2.527 -4.254 1.00 13.43 C ATOM 599 CD GLN A 36 -13.262 3.078 -2.916 1.00 1.14 C ATOM 600 OE1 GLN A 36 -12.482 3.475 -2.050 1.00 43.44 O ATOM 601 NE2 GLN A 36 -14.569 3.102 -2.732 1.00 1.14 N ATOM 0 H GLN A 36 -12.674 4.327 -6.612 1.00 44.40 H new ATOM 0 HA GLN A 36 -11.909 5.161 -3.976 1.00 71.32 H new ATOM 0 HB2 GLN A 36 -11.157 2.735 -5.679 1.00 61.10 H new ATOM 0 HB3 GLN A 36 -10.660 2.941 -4.012 1.00 61.10 H new ATOM 0 HG2 GLN A 36 -13.528 2.680 -5.013 1.00 13.43 H new ATOM 0 HG3 GLN A 36 -12.613 1.451 -4.164 1.00 13.43 H new ATOM 0 HE21 GLN A 36 -15.194 2.767 -3.466 1.00 1.14 H new ATOM 0 HE22 GLN A 36 -14.954 3.455 -1.856 1.00 1.14 H new ATOM 610 N GLU A 37 -9.857 5.824 -6.338 1.00 55.53 N ATOM 611 CA GLU A 37 -8.573 6.455 -6.717 1.00 53.31 C ATOM 612 C GLU A 37 -8.169 7.559 -5.722 1.00 21.00 C ATOM 613 O GLU A 37 -7.081 7.509 -5.161 1.00 22.04 O ATOM 614 CB GLU A 37 -8.677 7.050 -8.143 1.00 12.33 C ATOM 615 CG GLU A 37 -7.380 7.692 -8.675 1.00 0.22 C ATOM 616 CD GLU A 37 -7.601 8.435 -10.000 1.00 71.34 C ATOM 617 OE1 GLU A 37 -8.179 9.544 -9.967 1.00 75.23 O ATOM 618 OE2 GLU A 37 -7.218 7.920 -11.071 1.00 41.22 O ATOM 0 H GLU A 37 -10.540 5.816 -7.095 1.00 55.53 H new ATOM 0 HA GLU A 37 -7.804 5.683 -6.696 1.00 53.31 H new ATOM 0 HB2 GLU A 37 -8.982 6.260 -8.829 1.00 12.33 H new ATOM 0 HB3 GLU A 37 -9.467 7.801 -8.151 1.00 12.33 H new ATOM 0 HG2 GLU A 37 -6.989 8.387 -7.932 1.00 0.22 H new ATOM 0 HG3 GLU A 37 -6.625 6.918 -8.816 1.00 0.22 H new ATOM 625 N VAL A 38 -9.083 8.526 -5.488 1.00 20.05 N ATOM 626 CA VAL A 38 -8.835 9.679 -4.587 1.00 34.44 C ATOM 627 C VAL A 38 -8.539 9.201 -3.150 1.00 62.23 C ATOM 628 O VAL A 38 -7.635 9.721 -2.486 1.00 24.11 O ATOM 629 CB VAL A 38 -10.050 10.689 -4.596 1.00 44.24 C ATOM 630 CG1 VAL A 38 -9.816 11.890 -3.638 1.00 71.43 C ATOM 631 CG2 VAL A 38 -10.340 11.175 -6.038 1.00 30.21 C ATOM 0 H VAL A 38 -10.009 8.532 -5.915 1.00 20.05 H new ATOM 0 HA VAL A 38 -7.958 10.206 -4.962 1.00 34.44 H new ATOM 0 HB VAL A 38 -10.925 10.154 -4.227 1.00 44.24 H new ATOM 0 HG11 VAL A 38 -10.676 12.559 -3.676 1.00 71.43 H new ATOM 0 HG12 VAL A 38 -9.686 11.523 -2.620 1.00 71.43 H new ATOM 0 HG13 VAL A 38 -8.921 12.432 -3.945 1.00 71.43 H new ATOM 0 HG21 VAL A 38 -11.180 11.870 -6.026 1.00 30.21 H new ATOM 0 HG22 VAL A 38 -9.459 11.678 -6.437 1.00 30.21 H new ATOM 0 HG23 VAL A 38 -10.586 10.320 -6.668 1.00 30.21 H new ATOM 641 N SER A 39 -9.283 8.162 -2.720 1.00 72.55 N ATOM 642 CA SER A 39 -9.109 7.526 -1.402 1.00 65.20 C ATOM 643 C SER A 39 -7.710 6.868 -1.282 1.00 11.12 C ATOM 644 O SER A 39 -7.016 7.038 -0.276 1.00 60.31 O ATOM 645 CB SER A 39 -10.225 6.474 -1.181 1.00 13.21 C ATOM 646 OG SER A 39 -11.505 7.064 -1.308 1.00 61.00 O ATOM 0 H SER A 39 -10.024 7.740 -3.280 1.00 72.55 H new ATOM 0 HA SER A 39 -9.182 8.294 -0.631 1.00 65.20 H new ATOM 0 HB2 SER A 39 -10.118 5.667 -1.906 1.00 13.21 H new ATOM 0 HB3 SER A 39 -10.121 6.030 -0.191 1.00 13.21 H new ATOM 0 HG SER A 39 -12.195 6.382 -1.167 1.00 61.00 H new ATOM 652 N TYR A 40 -7.311 6.170 -2.363 1.00 13.25 N ATOM 653 CA TYR A 40 -6.059 5.388 -2.447 1.00 14.03 C ATOM 654 C TYR A 40 -4.844 6.320 -2.356 1.00 33.12 C ATOM 655 O TYR A 40 -3.973 6.144 -1.489 1.00 41.34 O ATOM 656 CB TYR A 40 -6.059 4.587 -3.786 1.00 70.41 C ATOM 657 CG TYR A 40 -4.852 3.670 -4.052 1.00 12.15 C ATOM 658 CD1 TYR A 40 -4.580 2.573 -3.229 1.00 43.33 C ATOM 659 CD2 TYR A 40 -4.018 3.871 -5.162 1.00 35.34 C ATOM 660 CE1 TYR A 40 -3.536 1.712 -3.507 1.00 54.44 C ATOM 661 CE2 TYR A 40 -2.964 3.017 -5.434 1.00 31.33 C ATOM 662 CZ TYR A 40 -2.727 1.940 -4.603 1.00 61.02 C ATOM 663 OH TYR A 40 -1.701 1.063 -4.888 1.00 23.13 O ATOM 0 H TYR A 40 -7.861 6.132 -3.221 1.00 13.25 H new ATOM 0 HA TYR A 40 -5.998 4.688 -1.614 1.00 14.03 H new ATOM 0 HB2 TYR A 40 -6.961 3.976 -3.815 1.00 70.41 H new ATOM 0 HB3 TYR A 40 -6.130 5.300 -4.607 1.00 70.41 H new ATOM 0 HD1 TYR A 40 -5.197 2.396 -2.361 1.00 43.33 H new ATOM 0 HD2 TYR A 40 -4.202 4.709 -5.817 1.00 35.34 H new ATOM 0 HE1 TYR A 40 -3.353 0.861 -2.868 1.00 54.44 H new ATOM 0 HE2 TYR A 40 -2.330 3.192 -6.291 1.00 31.33 H new ATOM 0 HH TYR A 40 -1.444 0.584 -4.073 1.00 23.13 H new ATOM 673 N LEU A 41 -4.854 7.348 -3.231 1.00 42.43 N ATOM 674 CA LEU A 41 -3.776 8.335 -3.360 1.00 2.54 C ATOM 675 C LEU A 41 -3.611 9.143 -2.060 1.00 3.22 C ATOM 676 O LEU A 41 -2.489 9.323 -1.585 1.00 62.42 O ATOM 677 CB LEU A 41 -4.045 9.292 -4.563 1.00 63.31 C ATOM 678 CG LEU A 41 -4.239 8.617 -5.962 1.00 13.42 C ATOM 679 CD1 LEU A 41 -4.423 9.678 -7.071 1.00 53.42 C ATOM 680 CD2 LEU A 41 -3.102 7.623 -6.296 1.00 54.53 C ATOM 0 H LEU A 41 -5.627 7.513 -3.876 1.00 42.43 H new ATOM 0 HA LEU A 41 -2.848 7.795 -3.547 1.00 2.54 H new ATOM 0 HB2 LEU A 41 -4.937 9.878 -4.340 1.00 63.31 H new ATOM 0 HB3 LEU A 41 -3.213 9.993 -4.635 1.00 63.31 H new ATOM 0 HG LEU A 41 -5.155 8.029 -5.913 1.00 13.42 H new ATOM 0 HD11 LEU A 41 -4.556 9.181 -8.032 1.00 53.42 H new ATOM 0 HD12 LEU A 41 -5.302 10.285 -6.852 1.00 53.42 H new ATOM 0 HD13 LEU A 41 -3.542 10.318 -7.112 1.00 53.42 H new ATOM 0 HD21 LEU A 41 -3.281 7.181 -7.276 1.00 54.53 H new ATOM 0 HD22 LEU A 41 -2.148 8.151 -6.305 1.00 54.53 H new ATOM 0 HD23 LEU A 41 -3.074 6.836 -5.542 1.00 54.53 H new ATOM 692 N GLN A 42 -4.746 9.590 -1.474 1.00 52.01 N ATOM 693 CA GLN A 42 -4.745 10.374 -0.218 1.00 74.10 C ATOM 694 C GLN A 42 -4.125 9.564 0.939 1.00 72.14 C ATOM 695 O GLN A 42 -3.252 10.072 1.654 1.00 73.53 O ATOM 696 CB GLN A 42 -6.185 10.821 0.160 1.00 21.50 C ATOM 697 CG GLN A 42 -6.267 11.692 1.437 1.00 53.11 C ATOM 698 CD GLN A 42 -7.694 12.056 1.856 1.00 43.21 C ATOM 699 OE1 GLN A 42 -8.598 12.177 1.025 1.00 4.44 O ATOM 700 NE2 GLN A 42 -7.907 12.246 3.150 1.00 52.10 N ATOM 0 H GLN A 42 -5.677 9.420 -1.853 1.00 52.01 H new ATOM 0 HA GLN A 42 -4.137 11.263 -0.386 1.00 74.10 H new ATOM 0 HB2 GLN A 42 -6.610 11.379 -0.674 1.00 21.50 H new ATOM 0 HB3 GLN A 42 -6.803 9.934 0.299 1.00 21.50 H new ATOM 0 HG2 GLN A 42 -5.783 11.161 2.257 1.00 53.11 H new ATOM 0 HG3 GLN A 42 -5.702 12.610 1.274 1.00 53.11 H new ATOM 0 HE21 GLN A 42 -7.140 12.139 3.814 1.00 52.10 H new ATOM 0 HE22 GLN A 42 -8.838 12.499 3.482 1.00 52.10 H new ATOM 709 N SER A 43 -4.574 8.295 1.087 1.00 52.34 N ATOM 710 CA SER A 43 -4.105 7.384 2.157 1.00 45.42 C ATOM 711 C SER A 43 -2.580 7.189 2.100 1.00 60.13 C ATOM 712 O SER A 43 -1.869 7.447 3.080 1.00 51.22 O ATOM 713 CB SER A 43 -4.819 6.013 2.047 1.00 72.51 C ATOM 714 OG SER A 43 -6.219 6.153 2.199 1.00 62.32 O ATOM 0 H SER A 43 -5.269 7.876 0.470 1.00 52.34 H new ATOM 0 HA SER A 43 -4.352 7.842 3.115 1.00 45.42 H new ATOM 0 HB2 SER A 43 -4.599 5.562 1.080 1.00 72.51 H new ATOM 0 HB3 SER A 43 -4.433 5.337 2.810 1.00 72.51 H new ATOM 0 HG SER A 43 -6.617 6.410 1.341 1.00 62.32 H new ATOM 720 N ILE A 44 -2.091 6.789 0.914 1.00 11.02 N ATOM 721 CA ILE A 44 -0.677 6.432 0.718 1.00 60.35 C ATOM 722 C ILE A 44 0.252 7.666 0.812 1.00 5.14 C ATOM 723 O ILE A 44 1.410 7.543 1.235 1.00 31.45 O ATOM 724 CB ILE A 44 -0.482 5.645 -0.623 1.00 24.34 C ATOM 725 CG1 ILE A 44 0.966 5.089 -0.758 1.00 42.21 C ATOM 726 CG2 ILE A 44 -0.870 6.492 -1.848 1.00 44.00 C ATOM 727 CD1 ILE A 44 1.110 4.059 -1.854 1.00 73.20 C ATOM 0 H ILE A 44 -2.660 6.705 0.071 1.00 11.02 H new ATOM 0 HA ILE A 44 -0.386 5.769 1.533 1.00 60.35 H new ATOM 0 HB ILE A 44 -1.160 4.793 -0.590 1.00 24.34 H new ATOM 0 HG12 ILE A 44 1.649 5.916 -0.954 1.00 42.21 H new ATOM 0 HG13 ILE A 44 1.267 4.645 0.191 1.00 42.21 H new ATOM 0 HG21 ILE A 44 -0.720 5.908 -2.756 1.00 44.00 H new ATOM 0 HG22 ILE A 44 -1.918 6.782 -1.773 1.00 44.00 H new ATOM 0 HG23 ILE A 44 -0.248 7.386 -1.884 1.00 44.00 H new ATOM 0 HD11 ILE A 44 2.143 3.713 -1.894 1.00 73.20 H new ATOM 0 HD12 ILE A 44 0.452 3.215 -1.649 1.00 73.20 H new ATOM 0 HD13 ILE A 44 0.839 4.506 -2.811 1.00 73.20 H new ATOM 739 N GLU A 45 -0.281 8.859 0.457 1.00 1.15 N ATOM 740 CA GLU A 45 0.402 10.146 0.709 1.00 4.22 C ATOM 741 C GLU A 45 0.580 10.364 2.220 1.00 30.32 C ATOM 742 O GLU A 45 1.686 10.668 2.674 1.00 25.53 O ATOM 743 CB GLU A 45 -0.387 11.327 0.073 1.00 4.00 C ATOM 744 CG GLU A 45 -0.187 11.487 -1.445 1.00 50.32 C ATOM 745 CD GLU A 45 1.206 12.033 -1.813 1.00 42.12 C ATOM 746 OE1 GLU A 45 1.367 13.278 -1.842 1.00 2.20 O ATOM 747 OE2 GLU A 45 2.140 11.240 -2.055 1.00 32.33 O ATOM 0 H GLU A 45 -1.185 8.955 -0.006 1.00 1.15 H new ATOM 0 HA GLU A 45 1.387 10.111 0.243 1.00 4.22 H new ATOM 0 HB2 GLU A 45 -1.449 11.187 0.274 1.00 4.00 H new ATOM 0 HB3 GLU A 45 -0.089 12.253 0.565 1.00 4.00 H new ATOM 0 HG2 GLU A 45 -0.332 10.521 -1.929 1.00 50.32 H new ATOM 0 HG3 GLU A 45 -0.950 12.159 -1.838 1.00 50.32 H new ATOM 754 N THR A 46 -0.516 10.142 2.985 1.00 2.31 N ATOM 755 CA THR A 46 -0.532 10.301 4.457 1.00 14.24 C ATOM 756 C THR A 46 0.459 9.321 5.136 1.00 31.52 C ATOM 757 O THR A 46 0.972 9.599 6.216 1.00 21.35 O ATOM 758 CB THR A 46 -1.979 10.105 5.044 1.00 72.03 C ATOM 759 OG1 THR A 46 -2.915 10.902 4.303 1.00 51.43 O ATOM 760 CG2 THR A 46 -2.084 10.506 6.530 1.00 21.02 C ATOM 0 H THR A 46 -1.413 9.848 2.598 1.00 2.31 H new ATOM 0 HA THR A 46 -0.214 11.321 4.673 1.00 14.24 H new ATOM 0 HB THR A 46 -2.204 9.042 4.960 1.00 72.03 H new ATOM 0 HG1 THR A 46 -3.068 10.495 3.425 1.00 51.43 H new ATOM 0 HG21 THR A 46 -3.105 10.349 6.878 1.00 21.02 H new ATOM 0 HG22 THR A 46 -1.401 9.895 7.121 1.00 21.02 H new ATOM 0 HG23 THR A 46 -1.820 11.558 6.643 1.00 21.02 H new ATOM 768 N VAL A 47 0.723 8.169 4.490 1.00 3.11 N ATOM 769 CA VAL A 47 1.732 7.199 4.981 1.00 74.23 C ATOM 770 C VAL A 47 3.175 7.688 4.704 1.00 64.24 C ATOM 771 O VAL A 47 4.005 7.727 5.614 1.00 13.13 O ATOM 772 CB VAL A 47 1.539 5.776 4.342 1.00 33.52 C ATOM 773 CG1 VAL A 47 2.454 4.726 5.013 1.00 11.44 C ATOM 774 CG2 VAL A 47 0.065 5.351 4.406 1.00 1.31 C ATOM 0 H VAL A 47 0.255 7.884 3.629 1.00 3.11 H new ATOM 0 HA VAL A 47 1.581 7.123 6.058 1.00 74.23 H new ATOM 0 HB VAL A 47 1.831 5.836 3.293 1.00 33.52 H new ATOM 0 HG11 VAL A 47 2.295 3.754 4.547 1.00 11.44 H new ATOM 0 HG12 VAL A 47 3.496 5.021 4.891 1.00 11.44 H new ATOM 0 HG13 VAL A 47 2.217 4.662 6.075 1.00 11.44 H new ATOM 0 HG21 VAL A 47 -0.049 4.363 3.959 1.00 1.31 H new ATOM 0 HG22 VAL A 47 -0.259 5.318 5.446 1.00 1.31 H new ATOM 0 HG23 VAL A 47 -0.545 6.070 3.858 1.00 1.31 H new ATOM 784 N MET A 48 3.450 8.075 3.438 1.00 24.04 N ATOM 785 CA MET A 48 4.827 8.412 2.973 1.00 32.11 C ATOM 786 C MET A 48 5.325 9.768 3.512 1.00 23.41 C ATOM 787 O MET A 48 6.538 10.017 3.542 1.00 31.54 O ATOM 788 CB MET A 48 4.920 8.382 1.419 1.00 52.14 C ATOM 789 CG MET A 48 4.701 6.995 0.793 1.00 22.02 C ATOM 790 SD MET A 48 4.979 6.986 -0.995 1.00 50.04 S ATOM 791 CE MET A 48 3.696 8.094 -1.570 1.00 51.21 C ATOM 0 H MET A 48 2.738 8.164 2.713 1.00 24.04 H new ATOM 0 HA MET A 48 5.482 7.643 3.381 1.00 32.11 H new ATOM 0 HB2 MET A 48 4.181 9.072 1.010 1.00 52.14 H new ATOM 0 HB3 MET A 48 5.901 8.751 1.119 1.00 52.14 H new ATOM 0 HG2 MET A 48 5.372 6.278 1.265 1.00 22.02 H new ATOM 0 HG3 MET A 48 3.684 6.664 1.000 1.00 22.02 H new ATOM 0 HE1 MET A 48 3.609 8.019 -2.654 1.00 51.21 H new ATOM 0 HE2 MET A 48 2.746 7.821 -1.110 1.00 51.21 H new ATOM 0 HE3 MET A 48 3.950 9.118 -1.296 1.00 51.21 H new ATOM 801 N GLU A 49 4.393 10.640 3.926 1.00 42.00 N ATOM 802 CA GLU A 49 4.736 11.931 4.563 1.00 23.55 C ATOM 803 C GLU A 49 4.968 11.759 6.081 1.00 44.21 C ATOM 804 O GLU A 49 5.452 12.677 6.743 1.00 4.54 O ATOM 805 CB GLU A 49 3.622 12.979 4.305 1.00 55.13 C ATOM 806 CG GLU A 49 2.285 12.674 5.010 1.00 54.24 C ATOM 807 CD GLU A 49 1.168 13.691 4.729 1.00 74.21 C ATOM 808 OE1 GLU A 49 0.476 14.111 5.682 1.00 51.23 O ATOM 809 OE2 GLU A 49 0.976 14.081 3.556 1.00 51.35 O ATOM 0 H GLU A 49 3.390 10.478 3.833 1.00 42.00 H new ATOM 0 HA GLU A 49 5.664 12.288 4.116 1.00 23.55 H new ATOM 0 HB2 GLU A 49 3.977 13.956 4.632 1.00 55.13 H new ATOM 0 HB3 GLU A 49 3.446 13.047 3.232 1.00 55.13 H new ATOM 0 HG2 GLU A 49 1.944 11.685 4.702 1.00 54.24 H new ATOM 0 HG3 GLU A 49 2.458 12.631 6.085 1.00 54.24 H new ATOM 816 N LYS A 50 4.598 10.574 6.615 1.00 13.40 N ATOM 817 CA LYS A 50 4.714 10.235 8.056 1.00 23.14 C ATOM 818 C LYS A 50 6.029 9.492 8.339 1.00 45.02 C ATOM 819 O LYS A 50 6.621 8.872 7.449 1.00 54.00 O ATOM 820 CB LYS A 50 3.468 9.397 8.540 1.00 10.42 C ATOM 821 CG LYS A 50 2.356 10.227 9.250 1.00 35.20 C ATOM 822 CD LYS A 50 1.966 11.514 8.483 1.00 10.12 C ATOM 823 CE LYS A 50 0.885 12.343 9.188 1.00 4.22 C ATOM 824 NZ LYS A 50 0.613 13.612 8.460 1.00 32.44 N ATOM 0 H LYS A 50 4.206 9.817 6.055 1.00 13.40 H new ATOM 0 HA LYS A 50 4.728 11.166 8.623 1.00 23.14 H new ATOM 0 HB2 LYS A 50 3.031 8.893 7.678 1.00 10.42 H new ATOM 0 HB3 LYS A 50 3.813 8.620 9.222 1.00 10.42 H new ATOM 0 HG2 LYS A 50 1.470 9.604 9.373 1.00 35.20 H new ATOM 0 HG3 LYS A 50 2.697 10.498 10.249 1.00 35.20 H new ATOM 0 HD2 LYS A 50 2.855 12.130 8.348 1.00 10.12 H new ATOM 0 HD3 LYS A 50 1.613 11.242 7.488 1.00 10.12 H new ATOM 0 HE2 LYS A 50 -0.033 11.760 9.261 1.00 4.22 H new ATOM 0 HE3 LYS A 50 1.202 12.567 10.206 1.00 4.22 H new ATOM 0 HZ1 LYS A 50 -0.318 13.981 8.741 1.00 32.44 H new ATOM 0 HZ2 LYS A 50 1.347 14.311 8.694 1.00 32.44 H new ATOM 0 HZ3 LYS A 50 0.620 13.433 7.436 1.00 32.44 H new ATOM 838 N GLN A 51 6.469 9.586 9.598 1.00 2.24 N ATOM 839 CA GLN A 51 7.707 8.967 10.085 1.00 73.33 C ATOM 840 C GLN A 51 7.435 7.516 10.541 1.00 14.33 C ATOM 841 O GLN A 51 6.371 7.224 11.109 1.00 35.53 O ATOM 842 CB GLN A 51 8.274 9.830 11.251 1.00 72.43 C ATOM 843 CG GLN A 51 9.561 9.292 11.915 1.00 13.52 C ATOM 844 CD GLN A 51 10.115 10.178 13.045 1.00 24.13 C ATOM 845 OE1 GLN A 51 10.674 9.673 14.022 1.00 75.42 O ATOM 846 NE2 GLN A 51 10.022 11.495 12.908 1.00 70.42 N ATOM 0 H GLN A 51 5.967 10.103 10.320 1.00 2.24 H new ATOM 0 HA GLN A 51 8.445 8.926 9.284 1.00 73.33 H new ATOM 0 HB2 GLN A 51 8.473 10.833 10.873 1.00 72.43 H new ATOM 0 HB3 GLN A 51 7.504 9.925 12.017 1.00 72.43 H new ATOM 0 HG2 GLN A 51 9.360 8.298 12.315 1.00 13.52 H new ATOM 0 HG3 GLN A 51 10.329 9.178 11.150 1.00 13.52 H new ATOM 0 HE21 GLN A 51 9.555 11.891 12.092 1.00 70.42 H new ATOM 0 HE22 GLN A 51 10.417 12.111 13.619 1.00 70.42 H new ATOM 855 N THR A 52 8.402 6.622 10.264 1.00 35.12 N ATOM 856 CA THR A 52 8.380 5.220 10.720 1.00 4.32 C ATOM 857 C THR A 52 8.566 5.156 12.263 1.00 44.23 C ATOM 858 O THR A 52 9.449 5.843 12.793 1.00 53.02 O ATOM 859 CB THR A 52 9.517 4.404 9.997 1.00 14.03 C ATOM 860 OG1 THR A 52 9.290 4.404 8.581 1.00 3.12 O ATOM 861 CG2 THR A 52 9.630 2.948 10.491 1.00 51.12 C ATOM 0 H THR A 52 9.228 6.855 9.712 1.00 35.12 H new ATOM 0 HA THR A 52 7.416 4.779 10.468 1.00 4.32 H new ATOM 0 HB THR A 52 10.457 4.901 10.239 1.00 14.03 H new ATOM 0 HG1 THR A 52 9.864 5.076 8.158 1.00 3.12 H new ATOM 0 HG21 THR A 52 10.432 2.442 9.953 1.00 51.12 H new ATOM 0 HG22 THR A 52 9.850 2.942 11.559 1.00 51.12 H new ATOM 0 HG23 THR A 52 8.689 2.429 10.312 1.00 51.12 H new ATOM 869 N PRO A 53 7.708 4.381 13.019 1.00 35.34 N ATOM 870 CA PRO A 53 7.917 4.148 14.475 1.00 13.11 C ATOM 871 C PRO A 53 9.190 3.306 14.765 1.00 40.51 C ATOM 872 O PRO A 53 9.589 2.479 13.932 1.00 44.20 O ATOM 873 CB PRO A 53 6.625 3.381 14.906 1.00 72.13 C ATOM 874 CG PRO A 53 5.635 3.646 13.810 1.00 14.00 C ATOM 875 CD PRO A 53 6.456 3.740 12.548 1.00 4.35 C ATOM 0 HA PRO A 53 8.074 5.078 15.022 1.00 13.11 H new ATOM 0 HB2 PRO A 53 6.817 2.314 15.015 1.00 72.13 H new ATOM 0 HB3 PRO A 53 6.255 3.738 15.867 1.00 72.13 H new ATOM 0 HG2 PRO A 53 4.899 2.845 13.742 1.00 14.00 H new ATOM 0 HG3 PRO A 53 5.085 4.569 13.991 1.00 14.00 H new ATOM 0 HD2 PRO A 53 6.643 2.758 12.113 1.00 4.35 H new ATOM 0 HD3 PRO A 53 5.958 4.338 11.785 1.00 4.35 H new ATOM 883 N PRO A 54 9.833 3.488 15.964 1.00 1.45 N ATOM 884 CA PRO A 54 10.991 2.662 16.392 1.00 75.02 C ATOM 885 C PRO A 54 10.579 1.218 16.759 1.00 44.31 C ATOM 886 O PRO A 54 11.209 0.248 16.324 1.00 2.10 O ATOM 887 CB PRO A 54 11.558 3.434 17.628 1.00 20.11 C ATOM 888 CG PRO A 54 10.906 4.788 17.579 1.00 11.22 C ATOM 889 CD PRO A 54 9.549 4.552 16.962 1.00 54.53 C ATOM 0 HA PRO A 54 11.726 2.538 15.597 1.00 75.02 H new ATOM 0 HB2 PRO A 54 11.322 2.917 18.558 1.00 20.11 H new ATOM 0 HB3 PRO A 54 12.644 3.517 17.576 1.00 20.11 H new ATOM 0 HG2 PRO A 54 10.816 5.218 18.577 1.00 11.22 H new ATOM 0 HG3 PRO A 54 11.493 5.487 16.983 1.00 11.22 H new ATOM 0 HD2 PRO A 54 8.817 4.230 17.702 1.00 54.53 H new ATOM 0 HD3 PRO A 54 9.153 5.453 16.494 1.00 54.53 H new ATOM 897 N GLY A 55 9.499 1.101 17.562 1.00 53.35 N ATOM 898 CA GLY A 55 9.053 -0.177 18.140 1.00 73.20 C ATOM 899 C GLY A 55 8.210 -1.044 17.199 1.00 23.00 C ATOM 900 O GLY A 55 7.135 -1.531 17.579 1.00 0.32 O ATOM 0 H GLY A 55 8.914 1.894 17.826 1.00 53.35 H new ATOM 0 HA2 GLY A 55 9.930 -0.746 18.449 1.00 73.20 H new ATOM 0 HA3 GLY A 55 8.473 0.029 19.040 1.00 73.20 H new ATOM 904 N ILE A 56 8.703 -1.229 15.967 1.00 62.22 N ATOM 905 CA ILE A 56 8.137 -2.180 14.998 1.00 54.32 C ATOM 906 C ILE A 56 8.677 -3.581 15.324 1.00 4.40 C ATOM 907 O ILE A 56 9.870 -3.841 15.152 1.00 12.02 O ATOM 908 CB ILE A 56 8.493 -1.752 13.512 1.00 55.53 C ATOM 909 CG1 ILE A 56 7.714 -0.450 13.129 1.00 4.31 C ATOM 910 CG2 ILE A 56 8.254 -2.889 12.476 1.00 42.41 C ATOM 911 CD1 ILE A 56 7.937 0.036 11.709 1.00 30.30 C ATOM 0 H ILE A 56 9.512 -0.720 15.611 1.00 62.22 H new ATOM 0 HA ILE A 56 7.050 -2.185 15.072 1.00 54.32 H new ATOM 0 HB ILE A 56 9.563 -1.547 13.480 1.00 55.53 H new ATOM 0 HG12 ILE A 56 6.648 -0.626 13.273 1.00 4.31 H new ATOM 0 HG13 ILE A 56 8.002 0.344 13.818 1.00 4.31 H new ATOM 0 HG21 ILE A 56 8.516 -2.534 11.479 1.00 42.41 H new ATOM 0 HG22 ILE A 56 8.874 -3.749 12.730 1.00 42.41 H new ATOM 0 HG23 ILE A 56 7.204 -3.182 12.493 1.00 42.41 H new ATOM 0 HD11 ILE A 56 7.356 0.942 11.539 1.00 30.30 H new ATOM 0 HD12 ILE A 56 8.995 0.250 11.560 1.00 30.30 H new ATOM 0 HD13 ILE A 56 7.620 -0.735 11.007 1.00 30.30 H new ATOM 923 N THR A 57 7.794 -4.457 15.844 1.00 33.44 N ATOM 924 CA THR A 57 8.146 -5.840 16.220 1.00 23.53 C ATOM 925 C THR A 57 8.282 -6.727 14.969 1.00 22.02 C ATOM 926 O THR A 57 8.145 -6.243 13.837 1.00 1.13 O ATOM 927 CB THR A 57 7.068 -6.449 17.191 1.00 72.52 C ATOM 928 OG1 THR A 57 5.806 -6.563 16.517 1.00 12.14 O ATOM 929 CG2 THR A 57 6.890 -5.604 18.467 1.00 54.43 C ATOM 0 H THR A 57 6.816 -4.225 16.015 1.00 33.44 H new ATOM 0 HA THR A 57 9.105 -5.810 16.737 1.00 23.53 H new ATOM 0 HB THR A 57 7.425 -7.435 17.489 1.00 72.52 H new ATOM 0 HG1 THR A 57 5.142 -6.944 17.128 1.00 12.14 H new ATOM 0 HG21 THR A 57 6.136 -6.064 19.106 1.00 54.43 H new ATOM 0 HG22 THR A 57 7.837 -5.551 19.004 1.00 54.43 H new ATOM 0 HG23 THR A 57 6.571 -4.598 18.195 1.00 54.43 H new ATOM 937 N ARG A 58 8.568 -8.021 15.194 1.00 4.41 N ATOM 938 CA ARG A 58 8.618 -9.034 14.130 1.00 20.20 C ATOM 939 C ARG A 58 7.240 -9.126 13.435 1.00 13.32 C ATOM 940 O ARG A 58 7.155 -9.049 12.210 1.00 54.54 O ATOM 941 CB ARG A 58 9.022 -10.412 14.730 1.00 51.23 C ATOM 942 CG ARG A 58 9.310 -11.523 13.692 1.00 43.54 C ATOM 943 CD ARG A 58 10.512 -11.200 12.784 1.00 35.24 C ATOM 944 NE ARG A 58 10.770 -12.283 11.817 1.00 5.44 N ATOM 945 CZ ARG A 58 10.198 -12.388 10.604 1.00 55.12 C ATOM 946 NH1 ARG A 58 9.324 -11.478 10.174 1.00 3.24 N ATOM 947 NH2 ARG A 58 10.486 -13.428 9.835 1.00 63.13 N ATOM 0 H ARG A 58 8.771 -8.393 16.122 1.00 4.41 H new ATOM 0 HA ARG A 58 9.365 -8.747 13.390 1.00 20.20 H new ATOM 0 HB2 ARG A 58 9.909 -10.275 15.348 1.00 51.23 H new ATOM 0 HB3 ARG A 58 8.223 -10.751 15.390 1.00 51.23 H new ATOM 0 HG2 ARG A 58 9.498 -12.461 14.214 1.00 43.54 H new ATOM 0 HG3 ARG A 58 8.425 -11.674 13.074 1.00 43.54 H new ATOM 0 HD2 ARG A 58 10.324 -10.270 12.248 1.00 35.24 H new ATOM 0 HD3 ARG A 58 11.399 -11.040 13.397 1.00 35.24 H new ATOM 0 HE ARG A 58 11.433 -13.009 12.089 1.00 5.44 H new ATOM 0 HH11 ARG A 58 9.079 -10.686 10.768 1.00 3.24 H new ATOM 0 HH12 ARG A 58 8.900 -11.574 9.251 1.00 3.24 H new ATOM 0 HH21 ARG A 58 11.137 -14.141 10.164 1.00 63.13 H new ATOM 0 HH22 ARG A 58 10.057 -13.516 8.914 1.00 63.13 H new ATOM 961 N SER A 59 6.173 -9.226 14.265 1.00 20.24 N ATOM 962 CA SER A 59 4.768 -9.320 13.815 1.00 23.11 C ATOM 963 C SER A 59 4.356 -8.091 12.974 1.00 24.31 C ATOM 964 O SER A 59 3.718 -8.215 11.909 1.00 51.43 O ATOM 965 CB SER A 59 3.856 -9.426 15.060 1.00 44.45 C ATOM 966 OG SER A 59 4.299 -10.450 15.939 1.00 50.14 O ATOM 0 H SER A 59 6.269 -9.244 15.280 1.00 20.24 H new ATOM 0 HA SER A 59 4.663 -10.203 13.184 1.00 23.11 H new ATOM 0 HB2 SER A 59 3.844 -8.472 15.587 1.00 44.45 H new ATOM 0 HB3 SER A 59 2.832 -9.630 14.747 1.00 44.45 H new ATOM 0 HG SER A 59 3.705 -10.493 16.717 1.00 50.14 H new ATOM 972 N ILE A 60 4.748 -6.902 13.477 1.00 72.14 N ATOM 973 CA ILE A 60 4.458 -5.615 12.824 1.00 10.24 C ATOM 974 C ILE A 60 5.205 -5.515 11.479 1.00 74.32 C ATOM 975 O ILE A 60 4.642 -5.040 10.497 1.00 70.23 O ATOM 976 CB ILE A 60 4.805 -4.395 13.771 1.00 34.44 C ATOM 977 CG1 ILE A 60 3.921 -4.441 15.063 1.00 12.42 C ATOM 978 CG2 ILE A 60 4.648 -3.030 13.047 1.00 13.21 C ATOM 979 CD1 ILE A 60 4.246 -3.380 16.109 1.00 13.43 C ATOM 0 H ILE A 60 5.274 -6.811 14.346 1.00 72.14 H new ATOM 0 HA ILE A 60 3.388 -5.569 12.623 1.00 10.24 H new ATOM 0 HB ILE A 60 5.853 -4.488 14.055 1.00 34.44 H new ATOM 0 HG12 ILE A 60 2.876 -4.334 14.773 1.00 12.42 H new ATOM 0 HG13 ILE A 60 4.026 -5.424 15.521 1.00 12.42 H new ATOM 0 HG21 ILE A 60 4.896 -2.222 13.735 1.00 13.21 H new ATOM 0 HG22 ILE A 60 5.319 -2.994 12.188 1.00 13.21 H new ATOM 0 HG23 ILE A 60 3.618 -2.914 12.708 1.00 13.21 H new ATOM 0 HD11 ILE A 60 3.580 -3.496 16.964 1.00 13.43 H new ATOM 0 HD12 ILE A 60 5.279 -3.496 16.436 1.00 13.43 H new ATOM 0 HD13 ILE A 60 4.111 -2.389 15.676 1.00 13.43 H new ATOM 991 N GLN A 61 6.454 -6.026 11.438 1.00 50.22 N ATOM 992 CA GLN A 61 7.276 -6.050 10.207 1.00 5.25 C ATOM 993 C GLN A 61 6.625 -6.950 9.135 1.00 1.45 C ATOM 994 O GLN A 61 6.624 -6.604 7.948 1.00 63.34 O ATOM 995 CB GLN A 61 8.714 -6.556 10.518 1.00 3.41 C ATOM 996 CG GLN A 61 9.665 -6.548 9.301 1.00 51.34 C ATOM 997 CD GLN A 61 10.995 -7.268 9.544 1.00 54.03 C ATOM 998 OE1 GLN A 61 11.073 -8.224 10.320 1.00 71.23 O ATOM 999 NE2 GLN A 61 12.054 -6.819 8.880 1.00 33.21 N ATOM 0 H GLN A 61 6.919 -6.431 12.250 1.00 50.22 H new ATOM 0 HA GLN A 61 7.336 -5.032 9.822 1.00 5.25 H new ATOM 0 HB2 GLN A 61 9.143 -5.935 11.304 1.00 3.41 H new ATOM 0 HB3 GLN A 61 8.653 -7.571 10.911 1.00 3.41 H new ATOM 0 HG2 GLN A 61 9.160 -7.015 8.455 1.00 51.34 H new ATOM 0 HG3 GLN A 61 9.869 -5.515 9.019 1.00 51.34 H new ATOM 0 HE21 GLN A 61 11.959 -6.026 8.245 1.00 33.21 H new ATOM 0 HE22 GLN A 61 12.962 -7.267 9.005 1.00 33.21 H new ATOM 1008 N ASP A 62 6.073 -8.105 9.580 1.00 64.02 N ATOM 1009 CA ASP A 62 5.377 -9.062 8.693 1.00 5.02 C ATOM 1010 C ASP A 62 4.161 -8.402 8.025 1.00 22.45 C ATOM 1011 O ASP A 62 4.001 -8.470 6.800 1.00 34.24 O ATOM 1012 CB ASP A 62 4.919 -10.335 9.473 1.00 52.12 C ATOM 1013 CG ASP A 62 6.073 -11.276 9.871 1.00 25.04 C ATOM 1014 OD1 ASP A 62 6.286 -11.527 11.083 1.00 41.25 O ATOM 1015 OD2 ASP A 62 6.770 -11.785 8.961 1.00 53.30 O ATOM 0 H ASP A 62 6.099 -8.396 10.557 1.00 64.02 H new ATOM 0 HA ASP A 62 6.088 -9.365 7.924 1.00 5.02 H new ATOM 0 HB2 ASP A 62 4.389 -10.025 10.374 1.00 52.12 H new ATOM 0 HB3 ASP A 62 4.208 -10.888 8.859 1.00 52.12 H new ATOM 1020 N MET A 63 3.313 -7.756 8.853 1.00 64.24 N ATOM 1021 CA MET A 63 2.083 -7.088 8.377 1.00 41.20 C ATOM 1022 C MET A 63 2.425 -5.929 7.422 1.00 51.03 C ATOM 1023 O MET A 63 2.011 -5.956 6.264 1.00 65.32 O ATOM 1024 CB MET A 63 1.214 -6.585 9.565 1.00 52.04 C ATOM 1025 CG MET A 63 0.670 -7.703 10.460 1.00 11.03 C ATOM 1026 SD MET A 63 -0.364 -7.084 11.811 1.00 42.35 S ATOM 1027 CE MET A 63 0.792 -6.078 12.749 1.00 75.14 C ATOM 0 H MET A 63 3.459 -7.683 9.860 1.00 64.24 H new ATOM 0 HA MET A 63 1.498 -7.825 7.827 1.00 41.20 H new ATOM 0 HB2 MET A 63 1.809 -5.904 10.174 1.00 52.04 H new ATOM 0 HB3 MET A 63 0.376 -6.010 9.170 1.00 52.04 H new ATOM 0 HG2 MET A 63 0.089 -8.397 9.853 1.00 11.03 H new ATOM 0 HG3 MET A 63 1.505 -8.266 10.877 1.00 11.03 H new ATOM 0 HE1 MET A 63 0.295 -5.684 13.635 1.00 75.14 H new ATOM 0 HE2 MET A 63 1.643 -6.688 13.051 1.00 75.14 H new ATOM 0 HE3 MET A 63 1.140 -5.251 12.130 1.00 75.14 H new ATOM 1037 N VAL A 64 3.229 -4.958 7.915 1.00 25.30 N ATOM 1038 CA VAL A 64 3.620 -3.743 7.162 1.00 44.11 C ATOM 1039 C VAL A 64 4.262 -4.104 5.801 1.00 54.14 C ATOM 1040 O VAL A 64 3.720 -3.721 4.761 1.00 25.41 O ATOM 1041 CB VAL A 64 4.578 -2.808 8.021 1.00 70.31 C ATOM 1042 CG1 VAL A 64 5.183 -1.654 7.181 1.00 3.44 C ATOM 1043 CG2 VAL A 64 3.823 -2.245 9.258 1.00 61.41 C ATOM 0 H VAL A 64 3.627 -4.996 8.853 1.00 25.30 H new ATOM 0 HA VAL A 64 2.709 -3.180 6.958 1.00 44.11 H new ATOM 0 HB VAL A 64 5.409 -3.426 8.362 1.00 70.31 H new ATOM 0 HG11 VAL A 64 5.829 -1.044 7.812 1.00 3.44 H new ATOM 0 HG12 VAL A 64 5.766 -2.069 6.359 1.00 3.44 H new ATOM 0 HG13 VAL A 64 4.380 -1.036 6.780 1.00 3.44 H new ATOM 0 HG21 VAL A 64 4.493 -1.608 9.834 1.00 61.41 H new ATOM 0 HG22 VAL A 64 2.964 -1.662 8.926 1.00 61.41 H new ATOM 0 HG23 VAL A 64 3.481 -3.070 9.882 1.00 61.41 H new ATOM 1053 N ALA A 65 5.367 -4.897 5.814 1.00 4.34 N ATOM 1054 CA ALA A 65 6.092 -5.274 4.571 1.00 74.13 C ATOM 1055 C ALA A 65 5.209 -6.121 3.638 1.00 73.03 C ATOM 1056 O ALA A 65 5.183 -5.882 2.431 1.00 31.42 O ATOM 1057 CB ALA A 65 7.418 -6.006 4.870 1.00 72.23 C ATOM 0 H ALA A 65 5.773 -5.285 6.666 1.00 4.34 H new ATOM 0 HA ALA A 65 6.336 -4.343 4.060 1.00 74.13 H new ATOM 0 HB1 ALA A 65 7.912 -6.261 3.933 1.00 72.23 H new ATOM 0 HB2 ALA A 65 8.067 -5.357 5.457 1.00 72.23 H new ATOM 0 HB3 ALA A 65 7.212 -6.917 5.432 1.00 72.23 H new ATOM 1063 N GLY A 66 4.452 -7.077 4.219 1.00 13.32 N ATOM 1064 CA GLY A 66 3.526 -7.927 3.446 1.00 22.55 C ATOM 1065 C GLY A 66 2.478 -7.110 2.688 1.00 42.24 C ATOM 1066 O GLY A 66 2.139 -7.422 1.536 1.00 14.13 O ATOM 0 H GLY A 66 4.465 -7.278 5.219 1.00 13.32 H new ATOM 0 HA2 GLY A 66 4.095 -8.529 2.738 1.00 22.55 H new ATOM 0 HA3 GLY A 66 3.024 -8.620 4.121 1.00 22.55 H new ATOM 1070 N TYR A 67 2.015 -6.024 3.336 1.00 45.42 N ATOM 1071 CA TYR A 67 1.052 -5.078 2.748 1.00 13.43 C ATOM 1072 C TYR A 67 1.698 -4.230 1.653 1.00 23.31 C ATOM 1073 O TYR A 67 1.055 -3.968 0.631 1.00 4.03 O ATOM 1074 CB TYR A 67 0.438 -4.157 3.835 1.00 73.45 C ATOM 1075 CG TYR A 67 -0.509 -4.859 4.815 1.00 55.10 C ATOM 1076 CD1 TYR A 67 -1.198 -6.030 4.470 1.00 31.13 C ATOM 1077 CD2 TYR A 67 -0.734 -4.324 6.077 1.00 21.53 C ATOM 1078 CE1 TYR A 67 -2.064 -6.633 5.356 1.00 61.53 C ATOM 1079 CE2 TYR A 67 -1.595 -4.924 6.958 1.00 35.22 C ATOM 1080 CZ TYR A 67 -2.259 -6.075 6.598 1.00 53.14 C ATOM 1081 OH TYR A 67 -3.120 -6.681 7.489 1.00 34.34 O ATOM 0 H TYR A 67 2.300 -5.779 4.284 1.00 45.42 H new ATOM 0 HA TYR A 67 0.255 -5.670 2.299 1.00 13.43 H new ATOM 0 HB2 TYR A 67 1.248 -3.697 4.401 1.00 73.45 H new ATOM 0 HB3 TYR A 67 -0.105 -3.350 3.343 1.00 73.45 H new ATOM 0 HD1 TYR A 67 -1.048 -6.467 3.494 1.00 31.13 H new ATOM 0 HD2 TYR A 67 -0.221 -3.419 6.369 1.00 21.53 H new ATOM 0 HE1 TYR A 67 -2.586 -7.537 5.077 1.00 61.53 H new ATOM 0 HE2 TYR A 67 -1.753 -4.494 7.936 1.00 35.22 H new ATOM 0 HH TYR A 67 -3.147 -6.164 8.321 1.00 34.34 H new ATOM 1091 N ILE A 68 2.973 -3.818 1.872 1.00 40.01 N ATOM 1092 CA ILE A 68 3.747 -3.040 0.879 1.00 30.23 C ATOM 1093 C ILE A 68 3.833 -3.839 -0.437 1.00 54.30 C ATOM 1094 O ILE A 68 3.420 -3.354 -1.488 1.00 61.13 O ATOM 1095 CB ILE A 68 5.209 -2.676 1.372 1.00 51.12 C ATOM 1096 CG1 ILE A 68 5.178 -1.850 2.694 1.00 34.43 C ATOM 1097 CG2 ILE A 68 5.987 -1.913 0.271 1.00 41.43 C ATOM 1098 CD1 ILE A 68 6.544 -1.512 3.284 1.00 14.43 C ATOM 0 H ILE A 68 3.485 -4.014 2.732 1.00 40.01 H new ATOM 0 HA ILE A 68 3.220 -2.097 0.730 1.00 30.23 H new ATOM 0 HB ILE A 68 5.728 -3.612 1.577 1.00 51.12 H new ATOM 0 HG12 ILE A 68 4.640 -0.920 2.509 1.00 34.43 H new ATOM 0 HG13 ILE A 68 4.607 -2.406 3.437 1.00 34.43 H new ATOM 0 HG21 ILE A 68 6.987 -1.674 0.632 1.00 41.43 H new ATOM 0 HG22 ILE A 68 6.062 -2.536 -0.620 1.00 41.43 H new ATOM 0 HG23 ILE A 68 5.460 -0.991 0.025 1.00 41.43 H new ATOM 0 HD11 ILE A 68 6.412 -0.937 4.201 1.00 14.43 H new ATOM 0 HD12 ILE A 68 7.082 -2.433 3.508 1.00 14.43 H new ATOM 0 HD13 ILE A 68 7.115 -0.924 2.566 1.00 14.43 H new ATOM 1110 N LYS A 69 4.302 -5.104 -0.332 1.00 64.43 N ATOM 1111 CA LYS A 69 4.433 -6.016 -1.483 1.00 33.11 C ATOM 1112 C LYS A 69 3.066 -6.277 -2.135 1.00 24.54 C ATOM 1113 O LYS A 69 2.976 -6.363 -3.362 1.00 52.34 O ATOM 1114 CB LYS A 69 5.062 -7.370 -1.058 1.00 2.31 C ATOM 1115 CG LYS A 69 5.281 -8.368 -2.220 1.00 3.24 C ATOM 1116 CD LYS A 69 6.282 -7.854 -3.291 1.00 65.32 C ATOM 1117 CE LYS A 69 6.401 -8.801 -4.503 1.00 12.21 C ATOM 1118 NZ LYS A 69 6.793 -10.177 -4.097 1.00 3.35 N ATOM 0 H LYS A 69 4.599 -5.517 0.552 1.00 64.43 H new ATOM 0 HA LYS A 69 5.090 -5.531 -2.205 1.00 33.11 H new ATOM 0 HB2 LYS A 69 6.021 -7.176 -0.577 1.00 2.31 H new ATOM 0 HB3 LYS A 69 4.419 -7.836 -0.311 1.00 2.31 H new ATOM 0 HG2 LYS A 69 5.646 -9.312 -1.815 1.00 3.24 H new ATOM 0 HG3 LYS A 69 4.323 -8.575 -2.697 1.00 3.24 H new ATOM 0 HD2 LYS A 69 5.965 -6.870 -3.635 1.00 65.32 H new ATOM 0 HD3 LYS A 69 7.264 -7.731 -2.834 1.00 65.32 H new ATOM 0 HE2 LYS A 69 5.448 -8.836 -5.031 1.00 12.21 H new ATOM 0 HE3 LYS A 69 7.138 -8.405 -5.202 1.00 12.21 H new ATOM 0 HZ1 LYS A 69 6.944 -10.759 -4.945 1.00 3.35 H new ATOM 0 HZ2 LYS A 69 7.672 -10.138 -3.542 1.00 3.35 H new ATOM 0 HZ3 LYS A 69 6.037 -10.597 -3.519 1.00 3.35 H new ATOM 1132 N GLN A 70 2.016 -6.398 -1.296 1.00 33.14 N ATOM 1133 CA GLN A 70 0.648 -6.643 -1.773 1.00 13.31 C ATOM 1134 C GLN A 70 0.185 -5.509 -2.704 1.00 25.24 C ATOM 1135 O GLN A 70 -0.284 -5.774 -3.804 1.00 23.02 O ATOM 1136 CB GLN A 70 -0.337 -6.833 -0.587 1.00 51.12 C ATOM 1137 CG GLN A 70 -1.799 -7.119 -1.008 1.00 41.31 C ATOM 1138 CD GLN A 70 -2.731 -7.471 0.159 1.00 62.20 C ATOM 1139 OE1 GLN A 70 -2.531 -7.043 1.293 1.00 21.22 O ATOM 1140 NE2 GLN A 70 -3.766 -8.250 -0.116 1.00 70.12 N ATOM 0 H GLN A 70 2.095 -6.329 -0.281 1.00 33.14 H new ATOM 0 HA GLN A 70 0.653 -7.570 -2.346 1.00 13.31 H new ATOM 0 HB2 GLN A 70 0.017 -7.656 0.035 1.00 51.12 H new ATOM 0 HB3 GLN A 70 -0.319 -5.936 0.031 1.00 51.12 H new ATOM 0 HG2 GLN A 70 -2.195 -6.244 -1.523 1.00 41.31 H new ATOM 0 HG3 GLN A 70 -1.805 -7.941 -1.724 1.00 41.31 H new ATOM 0 HE21 GLN A 70 -3.909 -8.592 -1.066 1.00 70.12 H new ATOM 0 HE22 GLN A 70 -4.420 -8.508 0.623 1.00 70.12 H new ATOM 1149 N THR A 71 0.398 -4.236 -2.295 1.00 33.12 N ATOM 1150 CA THR A 71 -0.062 -3.082 -3.083 1.00 32.54 C ATOM 1151 C THR A 71 0.863 -2.812 -4.288 1.00 42.13 C ATOM 1152 O THR A 71 0.407 -2.290 -5.307 1.00 34.54 O ATOM 1153 CB THR A 71 -0.283 -1.785 -2.214 1.00 71.44 C ATOM 1154 OG1 THR A 71 -0.513 -0.645 -3.051 1.00 2.32 O ATOM 1155 CG2 THR A 71 0.862 -1.461 -1.248 1.00 43.22 C ATOM 0 H THR A 71 0.881 -3.990 -1.431 1.00 33.12 H new ATOM 0 HA THR A 71 -1.044 -3.353 -3.472 1.00 32.54 H new ATOM 0 HB THR A 71 -1.159 -2.007 -1.605 1.00 71.44 H new ATOM 0 HG1 THR A 71 -0.405 -0.902 -3.991 1.00 2.32 H new ATOM 0 HG21 THR A 71 0.624 -0.554 -0.693 1.00 43.22 H new ATOM 0 HG22 THR A 71 0.995 -2.289 -0.551 1.00 43.22 H new ATOM 0 HG23 THR A 71 1.782 -1.310 -1.812 1.00 43.22 H new ATOM 1163 N LEU A 72 2.156 -3.200 -4.184 1.00 4.34 N ATOM 1164 CA LEU A 72 3.111 -3.073 -5.311 1.00 42.10 C ATOM 1165 C LEU A 72 2.772 -4.068 -6.431 1.00 11.32 C ATOM 1166 O LEU A 72 2.819 -3.717 -7.609 1.00 53.31 O ATOM 1167 CB LEU A 72 4.589 -3.280 -4.853 1.00 24.43 C ATOM 1168 CG LEU A 72 5.145 -2.256 -3.813 1.00 22.33 C ATOM 1169 CD1 LEU A 72 6.667 -2.427 -3.601 1.00 40.02 C ATOM 1170 CD2 LEU A 72 4.762 -0.813 -4.191 1.00 62.23 C ATOM 0 H LEU A 72 2.560 -3.601 -3.338 1.00 4.34 H new ATOM 0 HA LEU A 72 3.015 -2.056 -5.692 1.00 42.10 H new ATOM 0 HB2 LEU A 72 4.678 -4.280 -4.429 1.00 24.43 H new ATOM 0 HB3 LEU A 72 5.227 -3.250 -5.736 1.00 24.43 H new ATOM 0 HG LEU A 72 4.674 -2.468 -2.853 1.00 22.33 H new ATOM 0 HD11 LEU A 72 7.017 -1.697 -2.871 1.00 40.02 H new ATOM 0 HD12 LEU A 72 6.873 -3.433 -3.236 1.00 40.02 H new ATOM 0 HD13 LEU A 72 7.186 -2.271 -4.547 1.00 40.02 H new ATOM 0 HD21 LEU A 72 5.163 -0.124 -3.448 1.00 62.23 H new ATOM 0 HD22 LEU A 72 5.175 -0.572 -5.170 1.00 62.23 H new ATOM 0 HD23 LEU A 72 3.676 -0.721 -4.222 1.00 62.23 H new ATOM 1182 N ASP A 73 2.414 -5.304 -6.027 1.00 3.33 N ATOM 1183 CA ASP A 73 2.141 -6.421 -6.954 1.00 43.14 C ATOM 1184 C ASP A 73 0.742 -6.275 -7.577 1.00 12.13 C ATOM 1185 O ASP A 73 0.574 -6.483 -8.778 1.00 11.34 O ATOM 1186 CB ASP A 73 2.273 -7.794 -6.235 1.00 1.34 C ATOM 1187 CG ASP A 73 2.248 -8.973 -7.231 1.00 11.05 C ATOM 1188 OD1 ASP A 73 1.169 -9.585 -7.443 1.00 60.13 O ATOM 1189 OD2 ASP A 73 3.314 -9.277 -7.820 1.00 42.05 O ATOM 0 H ASP A 73 2.306 -5.556 -5.045 1.00 3.33 H new ATOM 0 HA ASP A 73 2.885 -6.384 -7.750 1.00 43.14 H new ATOM 0 HB2 ASP A 73 3.203 -7.818 -5.668 1.00 1.34 H new ATOM 0 HB3 ASP A 73 1.460 -7.908 -5.518 1.00 1.34 H new ATOM 1194 N ASN A 74 -0.254 -5.891 -6.747 1.00 2.23 N ATOM 1195 CA ASN A 74 -1.640 -5.644 -7.210 1.00 62.52 C ATOM 1196 C ASN A 74 -1.674 -4.474 -8.194 1.00 11.43 C ATOM 1197 O ASN A 74 -2.309 -4.572 -9.255 1.00 61.33 O ATOM 1198 CB ASN A 74 -2.613 -5.372 -6.027 1.00 61.30 C ATOM 1199 CG ASN A 74 -2.908 -6.613 -5.181 1.00 23.24 C ATOM 1200 OD1 ASN A 74 -2.067 -7.487 -5.001 1.00 41.00 O ATOM 1201 ND2 ASN A 74 -4.120 -6.720 -4.693 1.00 41.11 N ATOM 0 H ASN A 74 -0.123 -5.744 -5.746 1.00 2.23 H new ATOM 0 HA ASN A 74 -1.977 -6.550 -7.713 1.00 62.52 H new ATOM 0 HB2 ASN A 74 -2.187 -4.599 -5.387 1.00 61.30 H new ATOM 0 HB3 ASN A 74 -3.550 -4.979 -6.421 1.00 61.30 H new ATOM 0 HD21 ASN A 74 -4.380 -7.543 -4.150 1.00 41.11 H new ATOM 0 HD22 ASN A 74 -4.803 -5.980 -4.856 1.00 41.11 H new ATOM 1208 N GLU A 75 -0.959 -3.370 -7.848 1.00 53.04 N ATOM 1209 CA GLU A 75 -0.842 -2.216 -8.751 1.00 63.13 C ATOM 1210 C GLU A 75 -0.048 -2.610 -10.015 1.00 44.21 C ATOM 1211 O GLU A 75 -0.380 -2.165 -11.086 1.00 30.15 O ATOM 1212 CB GLU A 75 -0.174 -0.983 -8.084 1.00 64.12 C ATOM 1213 CG GLU A 75 -0.193 0.274 -8.991 1.00 33.23 C ATOM 1214 CD GLU A 75 0.739 1.410 -8.560 1.00 11.33 C ATOM 1215 OE1 GLU A 75 1.976 1.198 -8.552 1.00 23.10 O ATOM 1216 OE2 GLU A 75 0.266 2.546 -8.322 1.00 40.33 O ATOM 0 H GLU A 75 -0.465 -3.265 -6.962 1.00 53.04 H new ATOM 0 HA GLU A 75 -1.859 -1.926 -9.016 1.00 63.13 H new ATOM 0 HB2 GLU A 75 -0.687 -0.759 -7.149 1.00 64.12 H new ATOM 0 HB3 GLU A 75 0.858 -1.227 -7.831 1.00 64.12 H new ATOM 0 HG2 GLU A 75 0.073 -0.026 -10.005 1.00 33.23 H new ATOM 0 HG3 GLU A 75 -1.212 0.658 -9.029 1.00 33.23 H new ATOM 1223 N GLN A 76 0.980 -3.469 -9.865 1.00 43.53 N ATOM 1224 CA GLN A 76 1.819 -3.967 -10.996 1.00 65.21 C ATOM 1225 C GLN A 76 0.943 -4.656 -12.069 1.00 33.33 C ATOM 1226 O GLN A 76 1.087 -4.406 -13.280 1.00 12.04 O ATOM 1227 CB GLN A 76 2.878 -4.961 -10.440 1.00 14.30 C ATOM 1228 CG GLN A 76 3.907 -5.509 -11.441 1.00 60.43 C ATOM 1229 CD GLN A 76 4.800 -6.622 -10.852 1.00 73.45 C ATOM 1230 OE1 GLN A 76 4.236 -7.483 -9.998 1.00 62.33 O flip ATOM 1231 NE2 GLN A 76 5.978 -6.742 -11.199 1.00 44.21 N flip ATOM 0 H GLN A 76 1.260 -3.843 -8.958 1.00 43.53 H new ATOM 0 HA GLN A 76 2.321 -3.123 -11.469 1.00 65.21 H new ATOM 0 HB2 GLN A 76 3.419 -4.465 -9.634 1.00 14.30 H new ATOM 0 HB3 GLN A 76 2.351 -5.806 -9.997 1.00 14.30 H new ATOM 0 HG2 GLN A 76 3.383 -5.897 -12.314 1.00 60.43 H new ATOM 0 HG3 GLN A 76 4.539 -4.691 -11.786 1.00 60.43 H new ATOM 0 HE21 GLN A 76 6.388 -6.074 -11.852 1.00 44.21 H new ATOM 0 HE22 GLN A 76 6.542 -7.509 -10.833 1.00 44.21 H new ATOM 1240 N LEU A 77 0.005 -5.493 -11.582 1.00 73.40 N ATOM 1241 CA LEU A 77 -0.947 -6.250 -12.422 1.00 42.21 C ATOM 1242 C LEU A 77 -1.951 -5.298 -13.118 1.00 41.34 C ATOM 1243 O LEU A 77 -2.192 -5.416 -14.321 1.00 41.21 O ATOM 1244 CB LEU A 77 -1.695 -7.303 -11.549 1.00 21.02 C ATOM 1245 CG LEU A 77 -0.804 -8.402 -10.882 1.00 14.22 C ATOM 1246 CD1 LEU A 77 -1.630 -9.319 -9.945 1.00 14.33 C ATOM 1247 CD2 LEU A 77 -0.021 -9.213 -11.938 1.00 75.23 C ATOM 0 H LEU A 77 -0.115 -5.665 -10.584 1.00 73.40 H new ATOM 0 HA LEU A 77 -0.391 -6.769 -13.202 1.00 42.21 H new ATOM 0 HB2 LEU A 77 -2.235 -6.775 -10.763 1.00 21.02 H new ATOM 0 HB3 LEU A 77 -2.441 -7.797 -12.172 1.00 21.02 H new ATOM 0 HG LEU A 77 -0.070 -7.891 -10.259 1.00 14.22 H new ATOM 0 HD11 LEU A 77 -0.976 -10.069 -9.501 1.00 14.33 H new ATOM 0 HD12 LEU A 77 -2.083 -8.719 -9.155 1.00 14.33 H new ATOM 0 HD13 LEU A 77 -2.413 -9.815 -10.519 1.00 14.33 H new ATOM 0 HD21 LEU A 77 0.587 -9.968 -11.440 1.00 75.23 H new ATOM 0 HD22 LEU A 77 -0.722 -9.701 -12.615 1.00 75.23 H new ATOM 0 HD23 LEU A 77 0.625 -8.543 -12.506 1.00 75.23 H new ATOM 1259 N LEU A 78 -2.508 -4.356 -12.334 1.00 70.13 N ATOM 1260 CA LEU A 78 -3.468 -3.327 -12.816 1.00 34.11 C ATOM 1261 C LEU A 78 -2.870 -2.414 -13.886 1.00 32.30 C ATOM 1262 O LEU A 78 -3.432 -2.229 -14.953 1.00 2.14 O ATOM 1263 CB LEU A 78 -3.930 -2.450 -11.621 1.00 74.10 C ATOM 1264 CG LEU A 78 -4.874 -3.140 -10.624 1.00 74.41 C ATOM 1265 CD1 LEU A 78 -5.213 -2.218 -9.439 1.00 52.23 C ATOM 1266 CD2 LEU A 78 -6.124 -3.618 -11.368 1.00 25.22 C ATOM 0 H LEU A 78 -2.307 -4.281 -11.337 1.00 70.13 H new ATOM 0 HA LEU A 78 -4.307 -3.861 -13.263 1.00 34.11 H new ATOM 0 HB2 LEU A 78 -3.047 -2.106 -11.082 1.00 74.10 H new ATOM 0 HB3 LEU A 78 -4.428 -1.564 -12.014 1.00 74.10 H new ATOM 0 HG LEU A 78 -4.376 -4.008 -10.193 1.00 74.41 H new ATOM 0 HD11 LEU A 78 -5.882 -2.738 -8.754 1.00 52.23 H new ATOM 0 HD12 LEU A 78 -4.296 -1.947 -8.915 1.00 52.23 H new ATOM 0 HD13 LEU A 78 -5.701 -1.316 -9.808 1.00 52.23 H new ATOM 0 HD21 LEU A 78 -6.799 -4.109 -10.667 1.00 25.22 H new ATOM 0 HD22 LEU A 78 -6.628 -2.763 -11.819 1.00 25.22 H new ATOM 0 HD23 LEU A 78 -5.836 -4.323 -12.148 1.00 25.22 H new ATOM 1278 N LYS A 79 -1.731 -1.853 -13.542 1.00 20.33 N ATOM 1279 CA LYS A 79 -0.999 -0.866 -14.335 1.00 71.53 C ATOM 1280 C LYS A 79 -0.440 -1.513 -15.612 1.00 72.44 C ATOM 1281 O LYS A 79 -0.317 -0.857 -16.653 1.00 72.45 O ATOM 1282 CB LYS A 79 0.101 -0.300 -13.409 1.00 23.04 C ATOM 1283 CG LYS A 79 1.048 0.746 -13.994 1.00 62.33 C ATOM 1284 CD LYS A 79 1.901 1.414 -12.897 1.00 21.10 C ATOM 1285 CE LYS A 79 1.070 2.283 -11.944 1.00 43.41 C ATOM 1286 NZ LYS A 79 1.923 2.918 -10.898 1.00 2.41 N ATOM 0 H LYS A 79 -1.262 -2.077 -12.664 1.00 20.33 H new ATOM 0 HA LYS A 79 -1.639 -0.054 -14.681 1.00 71.53 H new ATOM 0 HB2 LYS A 79 -0.386 0.137 -12.537 1.00 23.04 H new ATOM 0 HB3 LYS A 79 0.703 -1.136 -13.052 1.00 23.04 H new ATOM 0 HG2 LYS A 79 1.702 0.276 -14.729 1.00 62.33 H new ATOM 0 HG3 LYS A 79 0.471 1.506 -14.521 1.00 62.33 H new ATOM 0 HD2 LYS A 79 2.415 0.643 -12.323 1.00 21.10 H new ATOM 0 HD3 LYS A 79 2.670 2.029 -13.365 1.00 21.10 H new ATOM 0 HE2 LYS A 79 0.553 3.056 -12.512 1.00 43.41 H new ATOM 0 HE3 LYS A 79 0.303 1.672 -11.468 1.00 43.41 H new ATOM 0 HZ1 LYS A 79 1.317 3.357 -10.175 1.00 2.41 H new ATOM 0 HZ2 LYS A 79 2.524 2.195 -10.453 1.00 2.41 H new ATOM 0 HZ3 LYS A 79 2.524 3.646 -11.335 1.00 2.41 H new ATOM 1300 N GLY A 80 -0.129 -2.820 -15.519 1.00 51.34 N ATOM 1301 CA GLY A 80 0.209 -3.627 -16.688 1.00 43.14 C ATOM 1302 C GLY A 80 -1.007 -3.905 -17.584 1.00 21.25 C ATOM 1303 O GLY A 80 -0.876 -3.919 -18.806 1.00 35.21 O ATOM 0 H GLY A 80 -0.107 -3.334 -14.638 1.00 51.34 H new ATOM 0 HA2 GLY A 80 0.975 -3.114 -17.270 1.00 43.14 H new ATOM 0 HA3 GLY A 80 0.638 -4.574 -16.360 1.00 43.14 H new ATOM 1307 N LEU A 81 -2.183 -4.129 -16.954 1.00 53.04 N ATOM 1308 CA LEU A 81 -3.466 -4.414 -17.658 1.00 61.23 C ATOM 1309 C LEU A 81 -3.862 -3.181 -18.499 1.00 4.22 C ATOM 1310 O LEU A 81 -4.102 -3.285 -19.711 1.00 35.14 O ATOM 1311 CB LEU A 81 -4.582 -4.765 -16.599 1.00 62.51 C ATOM 1312 CG LEU A 81 -5.879 -5.538 -17.066 1.00 21.43 C ATOM 1313 CD1 LEU A 81 -6.776 -5.894 -15.850 1.00 42.14 C ATOM 1314 CD2 LEU A 81 -6.698 -4.783 -18.142 1.00 14.15 C ATOM 0 H LEU A 81 -2.275 -4.118 -15.938 1.00 53.04 H new ATOM 0 HA LEU A 81 -3.351 -5.269 -18.325 1.00 61.23 H new ATOM 0 HB2 LEU A 81 -4.113 -5.358 -15.814 1.00 62.51 H new ATOM 0 HB3 LEU A 81 -4.905 -3.830 -16.142 1.00 62.51 H new ATOM 0 HG LEU A 81 -5.528 -6.456 -17.538 1.00 21.43 H new ATOM 0 HD11 LEU A 81 -7.663 -6.426 -16.195 1.00 42.14 H new ATOM 0 HD12 LEU A 81 -6.219 -6.528 -15.160 1.00 42.14 H new ATOM 0 HD13 LEU A 81 -7.077 -4.979 -15.340 1.00 42.14 H new ATOM 0 HD21 LEU A 81 -7.573 -5.373 -18.414 1.00 14.15 H new ATOM 0 HD22 LEU A 81 -7.019 -3.820 -17.745 1.00 14.15 H new ATOM 0 HD23 LEU A 81 -6.079 -4.624 -19.025 1.00 14.15 H new ATOM 1326 N LEU A 82 -3.916 -2.022 -17.816 1.00 4.34 N ATOM 1327 CA LEU A 82 -4.244 -0.717 -18.407 1.00 24.04 C ATOM 1328 C LEU A 82 -3.216 -0.357 -19.495 1.00 15.20 C ATOM 1329 O LEU A 82 -3.579 0.087 -20.590 1.00 41.10 O ATOM 1330 CB LEU A 82 -4.244 0.367 -17.292 1.00 60.02 C ATOM 1331 CG LEU A 82 -5.283 0.207 -16.135 1.00 44.20 C ATOM 1332 CD1 LEU A 82 -4.999 1.192 -14.973 1.00 31.23 C ATOM 1333 CD2 LEU A 82 -6.715 0.377 -16.651 1.00 65.34 C ATOM 0 H LEU A 82 -3.728 -1.969 -16.815 1.00 4.34 H new ATOM 0 HA LEU A 82 -5.232 -0.765 -18.864 1.00 24.04 H new ATOM 0 HB2 LEU A 82 -3.248 0.395 -16.849 1.00 60.02 H new ATOM 0 HB3 LEU A 82 -4.411 1.336 -17.763 1.00 60.02 H new ATOM 0 HG LEU A 82 -5.179 -0.805 -15.745 1.00 44.20 H new ATOM 0 HD11 LEU A 82 -5.741 1.052 -14.187 1.00 31.23 H new ATOM 0 HD12 LEU A 82 -4.004 1.002 -14.570 1.00 31.23 H new ATOM 0 HD13 LEU A 82 -5.052 2.216 -15.343 1.00 31.23 H new ATOM 0 HD21 LEU A 82 -7.416 0.260 -15.824 1.00 65.34 H new ATOM 0 HD22 LEU A 82 -6.829 1.370 -17.087 1.00 65.34 H new ATOM 0 HD23 LEU A 82 -6.920 -0.378 -17.410 1.00 65.34 H new ATOM 1345 N GLN A 83 -1.926 -0.552 -19.137 1.00 13.10 N ATOM 1346 CA GLN A 83 -0.774 -0.445 -20.057 1.00 3.33 C ATOM 1347 C GLN A 83 -0.604 1.006 -20.592 1.00 74.22 C ATOM 1348 O GLN A 83 -0.032 1.226 -21.669 1.00 13.52 O ATOM 1349 CB GLN A 83 -0.923 -1.499 -21.219 1.00 23.13 C ATOM 1350 CG GLN A 83 0.374 -1.842 -21.993 1.00 44.01 C ATOM 1351 CD GLN A 83 0.177 -2.827 -23.169 1.00 31.34 C ATOM 1352 OE1 GLN A 83 0.889 -2.758 -24.172 1.00 70.34 O ATOM 1353 NE2 GLN A 83 -0.755 -3.771 -23.053 1.00 10.12 N ATOM 0 H GLN A 83 -1.654 -0.792 -18.184 1.00 13.10 H new ATOM 0 HA GLN A 83 0.140 -0.674 -19.509 1.00 3.33 H new ATOM 0 HB2 GLN A 83 -1.326 -2.420 -20.798 1.00 23.13 H new ATOM 0 HB3 GLN A 83 -1.659 -1.125 -21.930 1.00 23.13 H new ATOM 0 HG2 GLN A 83 0.808 -0.919 -22.377 1.00 44.01 H new ATOM 0 HG3 GLN A 83 1.096 -2.267 -21.296 1.00 44.01 H new ATOM 0 HE21 GLN A 83 -1.336 -3.814 -22.216 1.00 10.12 H new ATOM 0 HE22 GLN A 83 -0.888 -4.451 -23.801 1.00 10.12 H new ATOM 1362 N GLN A 84 -1.076 1.998 -19.812 1.00 23.20 N ATOM 1363 CA GLN A 84 -1.011 3.419 -20.213 1.00 32.10 C ATOM 1364 C GLN A 84 0.373 4.003 -19.863 1.00 30.32 C ATOM 1365 O GLN A 84 1.239 4.099 -20.739 1.00 55.24 O ATOM 1366 CB GLN A 84 -2.170 4.231 -19.568 1.00 40.21 C ATOM 1367 CG GLN A 84 -3.575 3.706 -19.941 1.00 13.41 C ATOM 1368 CD GLN A 84 -4.731 4.431 -19.235 1.00 70.44 C ATOM 1369 OE1 GLN A 84 -5.815 4.585 -19.801 1.00 4.44 O ATOM 1370 NE2 GLN A 84 -4.542 4.824 -17.981 1.00 24.14 N ATOM 0 H GLN A 84 -1.507 1.842 -18.901 1.00 23.20 H new ATOM 0 HA GLN A 84 -1.139 3.491 -21.293 1.00 32.10 H new ATOM 0 HB2 GLN A 84 -2.059 4.209 -18.484 1.00 40.21 H new ATOM 0 HB3 GLN A 84 -2.087 5.273 -19.875 1.00 40.21 H new ATOM 0 HG2 GLN A 84 -3.709 3.797 -21.019 1.00 13.41 H new ATOM 0 HG3 GLN A 84 -3.628 2.644 -19.702 1.00 13.41 H new ATOM 0 HE21 GLN A 84 -3.636 4.686 -17.534 1.00 24.14 H new ATOM 0 HE22 GLN A 84 -5.303 5.264 -17.464 1.00 24.14 H new ATOM 1379 N ARG A 85 0.602 4.312 -18.572 1.00 35.45 N ATOM 1380 CA ARG A 85 1.864 4.936 -18.078 1.00 52.13 C ATOM 1381 C ARG A 85 1.838 4.986 -16.542 1.00 3.43 C ATOM 1382 O ARG A 85 0.791 5.286 -15.983 1.00 75.23 O ATOM 1383 CB ARG A 85 2.053 6.363 -18.677 1.00 12.53 C ATOM 1384 CG ARG A 85 3.372 7.080 -18.269 1.00 40.32 C ATOM 1385 CD ARG A 85 3.738 8.227 -19.224 1.00 72.10 C ATOM 1386 NE ARG A 85 3.963 7.725 -20.593 1.00 13.45 N ATOM 1387 CZ ARG A 85 4.388 8.451 -21.641 1.00 60.03 C ATOM 1388 NH1 ARG A 85 4.667 9.744 -21.523 1.00 42.42 N ATOM 1389 NH2 ARG A 85 4.533 7.862 -22.817 1.00 0.14 N ATOM 0 H ARG A 85 -0.080 4.139 -17.833 1.00 35.45 H new ATOM 0 HA ARG A 85 2.711 4.331 -18.402 1.00 52.13 H new ATOM 0 HB2 ARG A 85 2.018 6.292 -19.764 1.00 12.53 H new ATOM 0 HB3 ARG A 85 1.211 6.983 -18.371 1.00 12.53 H new ATOM 0 HG2 ARG A 85 3.270 7.472 -17.257 1.00 40.32 H new ATOM 0 HG3 ARG A 85 4.185 6.354 -18.249 1.00 40.32 H new ATOM 0 HD2 ARG A 85 2.938 8.968 -19.231 1.00 72.10 H new ATOM 0 HD3 ARG A 85 4.636 8.731 -18.866 1.00 72.10 H new ATOM 0 HE ARG A 85 3.779 6.736 -20.759 1.00 13.45 H new ATOM 0 HH11 ARG A 85 4.560 10.209 -20.621 1.00 42.42 H new ATOM 0 HH12 ARG A 85 4.988 10.273 -22.334 1.00 42.42 H new ATOM 0 HH21 ARG A 85 4.323 6.869 -22.919 1.00 0.14 H new ATOM 0 HH22 ARG A 85 4.855 8.401 -23.621 1.00 0.14 H new ATOM 1403 N LEU A 86 3.016 4.773 -15.888 1.00 22.11 N ATOM 1404 CA LEU A 86 3.144 4.542 -14.418 1.00 34.54 C ATOM 1405 C LEU A 86 2.347 5.551 -13.521 1.00 43.35 C ATOM 1406 O LEU A 86 1.999 5.225 -12.385 1.00 34.02 O ATOM 1407 CB LEU A 86 4.651 4.558 -13.983 1.00 64.41 C ATOM 1408 CG LEU A 86 5.612 3.450 -14.540 1.00 32.05 C ATOM 1409 CD1 LEU A 86 7.039 3.617 -13.955 1.00 10.40 C ATOM 1410 CD2 LEU A 86 5.083 2.028 -14.265 1.00 30.32 C ATOM 0 H LEU A 86 3.914 4.757 -16.372 1.00 22.11 H new ATOM 0 HA LEU A 86 2.699 3.561 -14.254 1.00 34.54 H new ATOM 0 HB2 LEU A 86 5.065 5.526 -14.265 1.00 64.41 H new ATOM 0 HB3 LEU A 86 4.681 4.503 -12.895 1.00 64.41 H new ATOM 0 HG LEU A 86 5.654 3.579 -15.622 1.00 32.05 H new ATOM 0 HD11 LEU A 86 7.689 2.839 -14.354 1.00 10.40 H new ATOM 0 HD12 LEU A 86 7.433 4.595 -14.230 1.00 10.40 H new ATOM 0 HD13 LEU A 86 6.999 3.535 -12.869 1.00 10.40 H new ATOM 0 HD21 LEU A 86 5.782 1.295 -14.669 1.00 30.32 H new ATOM 0 HD22 LEU A 86 4.982 1.879 -13.190 1.00 30.32 H new ATOM 0 HD23 LEU A 86 4.111 1.903 -14.741 1.00 30.32 H new ATOM 1422 N ASP A 87 2.084 6.762 -14.024 1.00 71.34 N ATOM 1423 CA ASP A 87 1.438 7.857 -13.248 1.00 22.31 C ATOM 1424 C ASP A 87 -0.091 7.679 -13.095 1.00 13.10 C ATOM 1425 O ASP A 87 -0.716 8.360 -12.273 1.00 23.10 O ATOM 1426 CB ASP A 87 1.753 9.211 -13.926 1.00 14.35 C ATOM 1427 CG ASP A 87 3.254 9.538 -13.937 1.00 33.54 C ATOM 1428 OD1 ASP A 87 4.012 8.836 -14.636 1.00 55.52 O ATOM 1429 OD2 ASP A 87 3.684 10.485 -13.253 1.00 2.03 O ATOM 0 H ASP A 87 2.309 7.024 -14.984 1.00 71.34 H new ATOM 0 HA ASP A 87 1.850 7.827 -12.239 1.00 22.31 H new ATOM 0 HB2 ASP A 87 1.382 9.194 -14.951 1.00 14.35 H new ATOM 0 HB3 ASP A 87 1.217 10.005 -13.407 1.00 14.35 H new ATOM 1434 N GLU A 88 -0.656 6.738 -13.867 1.00 24.44 N ATOM 1435 CA GLU A 88 -2.116 6.485 -13.949 1.00 51.01 C ATOM 1436 C GLU A 88 -2.742 6.136 -12.579 1.00 40.13 C ATOM 1437 O GLU A 88 -3.833 6.613 -12.244 1.00 3.02 O ATOM 1438 CB GLU A 88 -2.376 5.362 -14.991 1.00 45.21 C ATOM 1439 CG GLU A 88 -1.678 4.003 -14.697 1.00 73.34 C ATOM 1440 CD GLU A 88 -1.606 3.086 -15.929 1.00 63.42 C ATOM 1441 OE1 GLU A 88 -0.518 2.562 -16.257 1.00 61.14 O ATOM 1442 OE2 GLU A 88 -2.626 2.929 -16.599 1.00 65.11 O ATOM 0 H GLU A 88 -0.109 6.118 -14.464 1.00 24.44 H new ATOM 0 HA GLU A 88 -2.603 7.406 -14.269 1.00 51.01 H new ATOM 0 HB2 GLU A 88 -3.451 5.192 -15.056 1.00 45.21 H new ATOM 0 HB3 GLU A 88 -2.049 5.715 -15.969 1.00 45.21 H new ATOM 0 HG2 GLU A 88 -0.669 4.191 -14.331 1.00 73.34 H new ATOM 0 HG3 GLU A 88 -2.216 3.490 -13.900 1.00 73.34 H new ATOM 1449 N LEU A 89 -2.023 5.319 -11.784 1.00 5.11 N ATOM 1450 CA LEU A 89 -2.480 4.867 -10.446 1.00 61.10 C ATOM 1451 C LEU A 89 -1.559 5.434 -9.338 1.00 45.04 C ATOM 1452 O LEU A 89 -1.615 4.998 -8.186 1.00 61.01 O ATOM 1453 CB LEU A 89 -2.515 3.309 -10.409 1.00 72.22 C ATOM 1454 CG LEU A 89 -3.419 2.607 -11.480 1.00 53.23 C ATOM 1455 CD1 LEU A 89 -3.245 1.076 -11.446 1.00 10.24 C ATOM 1456 CD2 LEU A 89 -4.910 3.008 -11.336 1.00 10.31 C ATOM 0 H LEU A 89 -1.109 4.952 -12.047 1.00 5.11 H new ATOM 0 HA LEU A 89 -3.486 5.243 -10.261 1.00 61.10 H new ATOM 0 HB2 LEU A 89 -1.496 2.941 -10.528 1.00 72.22 H new ATOM 0 HB3 LEU A 89 -2.852 2.998 -9.420 1.00 72.22 H new ATOM 0 HG LEU A 89 -3.086 2.958 -12.457 1.00 53.23 H new ATOM 0 HD11 LEU A 89 -3.886 0.620 -12.201 1.00 10.24 H new ATOM 0 HD12 LEU A 89 -2.205 0.823 -11.652 1.00 10.24 H new ATOM 0 HD13 LEU A 89 -3.521 0.700 -10.461 1.00 10.24 H new ATOM 0 HD21 LEU A 89 -5.499 2.498 -12.098 1.00 10.31 H new ATOM 0 HD22 LEU A 89 -5.270 2.722 -10.348 1.00 10.31 H new ATOM 0 HD23 LEU A 89 -5.010 4.086 -11.461 1.00 10.31 H new ATOM 1468 N SER A 90 -0.726 6.431 -9.702 1.00 13.00 N ATOM 1469 CA SER A 90 0.249 7.050 -8.787 1.00 22.43 C ATOM 1470 C SER A 90 0.169 8.602 -8.879 1.00 34.15 C ATOM 1471 O SER A 90 -0.699 9.198 -8.232 1.00 44.34 O ATOM 1472 CB SER A 90 1.671 6.505 -9.083 1.00 61.50 C ATOM 1473 OG SER A 90 1.717 5.083 -8.994 1.00 62.12 O ATOM 0 H SER A 90 -0.712 6.829 -10.641 1.00 13.00 H new ATOM 0 HA SER A 90 0.009 6.783 -7.758 1.00 22.43 H new ATOM 0 HB2 SER A 90 1.981 6.818 -10.080 1.00 61.50 H new ATOM 0 HB3 SER A 90 2.381 6.937 -8.378 1.00 61.50 H new ATOM 0 HG SER A 90 2.626 4.772 -9.187 1.00 62.12 H new ATOM 1479 N SER A 91 1.050 9.243 -9.705 1.00 23.12 N ATOM 1480 CA SER A 91 1.120 10.728 -9.858 1.00 4.21 C ATOM 1481 C SER A 91 1.304 11.458 -8.492 1.00 60.35 C ATOM 1482 O SER A 91 0.929 12.625 -8.341 1.00 62.13 O ATOM 1483 CB SER A 91 -0.146 11.242 -10.621 1.00 73.30 C ATOM 1484 OG SER A 91 -0.059 12.632 -10.932 1.00 1.53 O ATOM 0 H SER A 91 1.729 8.745 -10.281 1.00 23.12 H new ATOM 0 HA SER A 91 2.006 10.965 -10.447 1.00 4.21 H new ATOM 0 HB2 SER A 91 -0.270 10.672 -11.542 1.00 73.30 H new ATOM 0 HB3 SER A 91 -1.033 11.062 -10.013 1.00 73.30 H new ATOM 0 HG SER A 91 0.393 13.103 -10.201 1.00 1.53 H new ATOM 1490 N LEU A 92 1.953 10.781 -7.532 1.00 42.32 N ATOM 1491 CA LEU A 92 1.968 11.205 -6.114 1.00 62.51 C ATOM 1492 C LEU A 92 3.016 12.301 -5.835 1.00 42.54 C ATOM 1493 O LEU A 92 2.671 13.487 -5.835 1.00 42.33 O ATOM 1494 CB LEU A 92 2.168 9.973 -5.195 1.00 24.23 C ATOM 1495 CG LEU A 92 0.985 8.963 -5.172 1.00 35.32 C ATOM 1496 CD1 LEU A 92 1.284 7.797 -4.231 1.00 25.02 C ATOM 1497 CD2 LEU A 92 -0.344 9.657 -4.800 1.00 32.33 C ATOM 0 H LEU A 92 2.482 9.927 -7.711 1.00 42.32 H new ATOM 0 HA LEU A 92 1.000 11.654 -5.891 1.00 62.51 H new ATOM 0 HB2 LEU A 92 3.068 9.446 -5.512 1.00 24.23 H new ATOM 0 HB3 LEU A 92 2.345 10.324 -4.178 1.00 24.23 H new ATOM 0 HG LEU A 92 0.870 8.562 -6.179 1.00 35.32 H new ATOM 0 HD11 LEU A 92 0.443 7.104 -4.232 1.00 25.02 H new ATOM 0 HD12 LEU A 92 2.181 7.278 -4.568 1.00 25.02 H new ATOM 0 HD13 LEU A 92 1.442 8.176 -3.221 1.00 25.02 H new ATOM 0 HD21 LEU A 92 -1.149 8.922 -4.793 1.00 32.33 H new ATOM 0 HD22 LEU A 92 -0.255 10.107 -3.811 1.00 32.33 H new ATOM 0 HD23 LEU A 92 -0.567 10.433 -5.533 1.00 32.33 H new ATOM 1509 N ILE A 93 4.288 11.903 -5.620 1.00 44.22 N ATOM 1510 CA ILE A 93 5.373 12.844 -5.283 1.00 0.30 C ATOM 1511 C ILE A 93 5.891 13.470 -6.595 1.00 0.51 C ATOM 1512 O ILE A 93 6.943 13.086 -7.129 1.00 20.23 O ATOM 1513 CB ILE A 93 6.525 12.129 -4.463 1.00 1.40 C ATOM 1514 CG1 ILE A 93 5.924 11.321 -3.258 1.00 12.44 C ATOM 1515 CG2 ILE A 93 7.593 13.150 -3.980 1.00 21.41 C ATOM 1516 CD1 ILE A 93 6.938 10.531 -2.440 1.00 3.51 C ATOM 0 H ILE A 93 4.588 10.930 -5.675 1.00 44.22 H new ATOM 0 HA ILE A 93 4.995 13.634 -4.634 1.00 0.30 H new ATOM 0 HB ILE A 93 7.026 11.425 -5.128 1.00 1.40 H new ATOM 0 HG12 ILE A 93 5.409 12.016 -2.595 1.00 12.44 H new ATOM 0 HG13 ILE A 93 5.173 10.631 -3.642 1.00 12.44 H new ATOM 0 HG21 ILE A 93 8.369 12.628 -3.421 1.00 21.41 H new ATOM 0 HG22 ILE A 93 8.039 13.646 -4.842 1.00 21.41 H new ATOM 0 HG23 ILE A 93 7.121 13.894 -3.338 1.00 21.41 H new ATOM 0 HD11 ILE A 93 6.426 10.008 -1.632 1.00 3.51 H new ATOM 0 HD12 ILE A 93 7.438 9.806 -3.082 1.00 3.51 H new ATOM 0 HD13 ILE A 93 7.677 11.213 -2.019 1.00 3.51 H new ATOM 1528 N GLY A 94 5.079 14.401 -7.131 1.00 34.45 N ATOM 1529 CA GLY A 94 5.264 14.944 -8.474 1.00 23.04 C ATOM 1530 C GLY A 94 4.821 13.943 -9.537 1.00 51.12 C ATOM 1531 O GLY A 94 3.715 14.052 -10.089 1.00 52.25 O ATOM 0 H GLY A 94 4.277 14.793 -6.637 1.00 34.45 H new ATOM 0 HA2 GLY A 94 4.693 15.867 -8.578 1.00 23.04 H new ATOM 0 HA3 GLY A 94 6.313 15.199 -8.625 1.00 23.04 H new ATOM 1535 N GLN A 95 5.678 12.937 -9.776 1.00 52.52 N ATOM 1536 CA GLN A 95 5.461 11.888 -10.785 1.00 32.13 C ATOM 1537 C GLN A 95 5.043 10.559 -10.108 1.00 34.41 C ATOM 1538 O GLN A 95 4.567 10.549 -8.956 1.00 71.13 O ATOM 1539 CB GLN A 95 6.772 11.702 -11.611 1.00 13.13 C ATOM 1540 CG GLN A 95 7.254 12.970 -12.345 1.00 65.42 C ATOM 1541 CD GLN A 95 8.438 12.725 -13.293 1.00 61.40 C ATOM 1542 OE1 GLN A 95 9.264 11.834 -13.076 1.00 31.12 O ATOM 1543 NE2 GLN A 95 8.539 13.521 -14.345 1.00 41.11 N ATOM 0 H GLN A 95 6.554 12.828 -9.266 1.00 52.52 H new ATOM 0 HA GLN A 95 4.653 12.186 -11.453 1.00 32.13 H new ATOM 0 HB2 GLN A 95 7.563 11.363 -10.942 1.00 13.13 H new ATOM 0 HB3 GLN A 95 6.615 10.911 -12.344 1.00 13.13 H new ATOM 0 HG2 GLN A 95 6.424 13.386 -12.916 1.00 65.42 H new ATOM 0 HG3 GLN A 95 7.540 13.719 -11.607 1.00 65.42 H new ATOM 0 HE21 GLN A 95 7.843 14.250 -14.502 1.00 41.11 H new ATOM 0 HE22 GLN A 95 9.313 13.406 -14.999 1.00 41.11 H new ATOM 1552 N SER A 96 5.221 9.441 -10.847 1.00 61.24 N ATOM 1553 CA SER A 96 4.966 8.062 -10.379 1.00 41.15 C ATOM 1554 C SER A 96 6.079 7.519 -9.447 1.00 65.34 C ATOM 1555 O SER A 96 6.472 6.346 -9.535 1.00 14.50 O ATOM 1556 CB SER A 96 4.815 7.170 -11.623 1.00 70.23 C ATOM 1557 OG SER A 96 5.889 7.354 -12.538 1.00 22.32 O ATOM 0 H SER A 96 5.555 9.475 -11.810 1.00 61.24 H new ATOM 0 HA SER A 96 4.057 8.059 -9.778 1.00 41.15 H new ATOM 0 HB2 SER A 96 4.773 6.124 -11.318 1.00 70.23 H new ATOM 0 HB3 SER A 96 3.871 7.396 -12.120 1.00 70.23 H new ATOM 0 HG SER A 96 5.566 7.835 -13.329 1.00 22.32 H new ATOM 1563 N THR A 97 6.504 8.361 -8.496 1.00 13.34 N ATOM 1564 CA THR A 97 7.513 8.037 -7.481 1.00 13.30 C ATOM 1565 C THR A 97 7.054 6.873 -6.557 1.00 73.25 C ATOM 1566 O THR A 97 7.887 6.218 -5.947 1.00 42.53 O ATOM 1567 CB THR A 97 7.805 9.329 -6.640 1.00 50.34 C ATOM 1568 OG1 THR A 97 8.124 10.412 -7.536 1.00 12.24 O ATOM 1569 CG2 THR A 97 8.950 9.149 -5.621 1.00 71.45 C ATOM 0 H THR A 97 6.145 9.312 -8.410 1.00 13.34 H new ATOM 0 HA THR A 97 8.421 7.700 -7.981 1.00 13.30 H new ATOM 0 HB THR A 97 6.906 9.547 -6.064 1.00 50.34 H new ATOM 0 HG1 THR A 97 7.634 11.216 -7.265 1.00 12.24 H new ATOM 0 HG21 THR A 97 9.100 10.080 -5.074 1.00 71.45 H new ATOM 0 HG22 THR A 97 8.693 8.354 -4.921 1.00 71.45 H new ATOM 0 HG23 THR A 97 9.868 8.886 -6.147 1.00 71.45 H new ATOM 1577 N ARG A 98 5.719 6.598 -6.536 1.00 30.44 N ATOM 1578 CA ARG A 98 5.075 5.644 -5.604 1.00 33.11 C ATOM 1579 C ARG A 98 5.732 4.250 -5.600 1.00 43.14 C ATOM 1580 O ARG A 98 6.121 3.758 -4.537 1.00 40.24 O ATOM 1581 CB ARG A 98 3.582 5.439 -5.960 1.00 43.10 C ATOM 1582 CG ARG A 98 2.800 4.641 -4.881 1.00 42.13 C ATOM 1583 CD ARG A 98 1.561 3.888 -5.414 1.00 54.44 C ATOM 1584 NE ARG A 98 1.918 2.535 -5.867 1.00 33.24 N ATOM 1585 CZ ARG A 98 1.694 1.394 -5.190 1.00 31.14 C ATOM 1586 NH1 ARG A 98 1.128 1.401 -3.985 1.00 63.30 N ATOM 1587 NH2 ARG A 98 2.034 0.239 -5.741 1.00 30.01 N ATOM 0 H ARG A 98 5.058 7.040 -7.175 1.00 30.44 H new ATOM 0 HA ARG A 98 5.193 6.096 -4.619 1.00 33.11 H new ATOM 0 HB2 ARG A 98 3.111 6.412 -6.096 1.00 43.10 H new ATOM 0 HB3 ARG A 98 3.511 4.915 -6.913 1.00 43.10 H new ATOM 0 HG2 ARG A 98 3.476 3.921 -4.419 1.00 42.13 H new ATOM 0 HG3 ARG A 98 2.482 5.329 -4.098 1.00 42.13 H new ATOM 0 HD2 ARG A 98 0.805 3.825 -4.631 1.00 54.44 H new ATOM 0 HD3 ARG A 98 1.119 4.446 -6.239 1.00 54.44 H new ATOM 0 HE ARG A 98 2.376 2.455 -6.775 1.00 33.24 H new ATOM 0 HH11 ARG A 98 0.854 2.285 -3.555 1.00 63.30 H new ATOM 0 HH12 ARG A 98 0.968 0.523 -3.491 1.00 63.30 H new ATOM 0 HH21 ARG A 98 2.460 0.222 -6.668 1.00 30.01 H new ATOM 0 HH22 ARG A 98 1.870 -0.634 -5.239 1.00 30.01 H new ATOM 1601 N GLN A 99 5.824 3.627 -6.800 1.00 43.24 N ATOM 1602 CA GLN A 99 6.305 2.237 -6.942 1.00 2.23 C ATOM 1603 C GLN A 99 7.750 2.129 -6.409 1.00 34.51 C ATOM 1604 O GLN A 99 8.073 1.237 -5.623 1.00 33.14 O ATOM 1605 CB GLN A 99 6.219 1.783 -8.434 1.00 2.25 C ATOM 1606 CG GLN A 99 6.425 0.261 -8.682 1.00 40.42 C ATOM 1607 CD GLN A 99 5.226 -0.630 -8.282 1.00 40.32 C ATOM 1608 OE1 GLN A 99 4.446 -0.310 -7.385 1.00 52.01 O ATOM 1609 NE2 GLN A 99 5.084 -1.778 -8.937 1.00 30.35 N ATOM 0 H GLN A 99 5.570 4.069 -7.683 1.00 43.24 H new ATOM 0 HA GLN A 99 5.670 1.574 -6.354 1.00 2.23 H new ATOM 0 HB2 GLN A 99 5.244 2.069 -8.827 1.00 2.25 H new ATOM 0 HB3 GLN A 99 6.967 2.332 -9.007 1.00 2.25 H new ATOM 0 HG2 GLN A 99 6.638 0.105 -9.740 1.00 40.42 H new ATOM 0 HG3 GLN A 99 7.304 -0.067 -8.128 1.00 40.42 H new ATOM 0 HE21 GLN A 99 5.740 -2.027 -9.678 1.00 30.35 H new ATOM 0 HE22 GLN A 99 4.319 -2.410 -8.699 1.00 30.35 H new ATOM 1618 N LYS A 100 8.571 3.127 -6.798 1.00 14.22 N ATOM 1619 CA LYS A 100 9.982 3.258 -6.383 1.00 60.44 C ATOM 1620 C LYS A 100 10.110 3.496 -4.860 1.00 63.50 C ATOM 1621 O LYS A 100 10.984 2.923 -4.206 1.00 1.33 O ATOM 1622 CB LYS A 100 10.636 4.449 -7.137 1.00 5.44 C ATOM 1623 CG LYS A 100 10.609 4.346 -8.682 1.00 34.32 C ATOM 1624 CD LYS A 100 11.261 5.573 -9.370 1.00 75.12 C ATOM 1625 CE LYS A 100 12.729 5.788 -8.956 1.00 60.30 C ATOM 1626 NZ LYS A 100 13.596 4.621 -9.299 1.00 32.43 N ATOM 0 H LYS A 100 8.266 3.876 -7.419 1.00 14.22 H new ATOM 0 HA LYS A 100 10.489 2.325 -6.628 1.00 60.44 H new ATOM 0 HB2 LYS A 100 10.129 5.368 -6.841 1.00 5.44 H new ATOM 0 HB3 LYS A 100 11.673 4.538 -6.813 1.00 5.44 H new ATOM 0 HG2 LYS A 100 11.130 3.440 -8.992 1.00 34.32 H new ATOM 0 HG3 LYS A 100 9.577 4.251 -9.019 1.00 34.32 H new ATOM 0 HD2 LYS A 100 11.210 5.446 -10.451 1.00 75.12 H new ATOM 0 HD3 LYS A 100 10.686 6.467 -9.126 1.00 75.12 H new ATOM 0 HE2 LYS A 100 13.115 6.681 -9.448 1.00 60.30 H new ATOM 0 HE3 LYS A 100 12.778 5.970 -7.882 1.00 60.30 H new ATOM 0 HZ1 LYS A 100 14.579 4.828 -9.031 1.00 32.43 H new ATOM 0 HZ2 LYS A 100 13.267 3.780 -8.783 1.00 32.43 H new ATOM 0 HZ3 LYS A 100 13.547 4.441 -10.322 1.00 32.43 H new ATOM 1640 N SER A 101 9.203 4.338 -4.325 1.00 50.22 N ATOM 1641 CA SER A 101 9.243 4.827 -2.931 1.00 73.40 C ATOM 1642 C SER A 101 8.974 3.683 -1.946 1.00 10.04 C ATOM 1643 O SER A 101 9.711 3.503 -0.974 1.00 52.04 O ATOM 1644 CB SER A 101 8.201 5.964 -2.737 1.00 21.23 C ATOM 1645 OG SER A 101 8.210 6.483 -1.413 1.00 45.11 O ATOM 0 H SER A 101 8.412 4.702 -4.855 1.00 50.22 H new ATOM 0 HA SER A 101 10.239 5.221 -2.730 1.00 73.40 H new ATOM 0 HB2 SER A 101 8.409 6.769 -3.442 1.00 21.23 H new ATOM 0 HB3 SER A 101 7.206 5.586 -2.970 1.00 21.23 H new ATOM 0 HG SER A 101 7.295 6.704 -1.142 1.00 45.11 H new ATOM 1651 N LEU A 102 7.914 2.901 -2.229 1.00 53.41 N ATOM 1652 CA LEU A 102 7.502 1.769 -1.383 1.00 3.53 C ATOM 1653 C LEU A 102 8.409 0.547 -1.610 1.00 41.13 C ATOM 1654 O LEU A 102 8.582 -0.254 -0.696 1.00 10.21 O ATOM 1655 CB LEU A 102 6.016 1.380 -1.630 1.00 53.11 C ATOM 1656 CG LEU A 102 4.911 2.260 -0.957 1.00 61.05 C ATOM 1657 CD1 LEU A 102 4.877 3.695 -1.512 1.00 51.22 C ATOM 1658 CD2 LEU A 102 3.532 1.566 -1.074 1.00 43.54 C ATOM 0 H LEU A 102 7.322 3.037 -3.049 1.00 53.41 H new ATOM 0 HA LEU A 102 7.603 2.093 -0.347 1.00 3.53 H new ATOM 0 HB2 LEU A 102 5.842 1.388 -2.706 1.00 53.11 H new ATOM 0 HB3 LEU A 102 5.878 0.353 -1.293 1.00 53.11 H new ATOM 0 HG LEU A 102 5.163 2.355 0.099 1.00 61.05 H new ATOM 0 HD11 LEU A 102 4.092 4.261 -1.010 1.00 51.22 H new ATOM 0 HD12 LEU A 102 5.840 4.176 -1.337 1.00 51.22 H new ATOM 0 HD13 LEU A 102 4.675 3.666 -2.583 1.00 51.22 H new ATOM 0 HD21 LEU A 102 2.771 2.187 -0.602 1.00 43.54 H new ATOM 0 HD22 LEU A 102 3.284 1.424 -2.126 1.00 43.54 H new ATOM 0 HD23 LEU A 102 3.569 0.597 -0.576 1.00 43.54 H new ATOM 1670 N ASN A 103 8.956 0.393 -2.838 1.00 54.14 N ATOM 1671 CA ASN A 103 9.906 -0.704 -3.150 1.00 33.34 C ATOM 1672 C ASN A 103 11.180 -0.517 -2.314 1.00 63.34 C ATOM 1673 O ASN A 103 11.671 -1.461 -1.683 1.00 30.30 O ATOM 1674 CB ASN A 103 10.233 -0.732 -4.671 1.00 44.20 C ATOM 1675 CG ASN A 103 10.860 -2.039 -5.198 1.00 1.21 C ATOM 1676 OD1 ASN A 103 11.790 -2.657 -4.476 1.00 62.22 O flip ATOM 1677 ND2 ASN A 103 10.539 -2.473 -6.304 1.00 2.14 N flip ATOM 0 H ASN A 103 8.758 1.010 -3.626 1.00 54.14 H new ATOM 0 HA ASN A 103 9.451 -1.662 -2.897 1.00 33.34 H new ATOM 0 HB2 ASN A 103 9.313 -0.543 -5.225 1.00 44.20 H new ATOM 0 HB3 ASN A 103 10.913 0.090 -4.893 1.00 44.20 H new ATOM 0 HD21 ASN A 103 9.825 -1.994 -6.852 1.00 2.14 H new ATOM 0 HD22 ASN A 103 10.987 -3.312 -6.672 1.00 2.14 H new ATOM 1684 N ASN A 104 11.676 0.731 -2.297 1.00 12.34 N ATOM 1685 CA ASN A 104 12.841 1.126 -1.494 1.00 2.12 C ATOM 1686 C ASN A 104 12.524 0.965 0.003 1.00 25.00 C ATOM 1687 O ASN A 104 13.313 0.380 0.738 1.00 73.42 O ATOM 1688 CB ASN A 104 13.239 2.596 -1.796 1.00 24.13 C ATOM 1689 CG ASN A 104 14.446 3.082 -0.987 1.00 63.42 C ATOM 1690 OD1 ASN A 104 15.483 2.259 -0.869 1.00 61.11 O flip ATOM 1691 ND2 ASN A 104 14.466 4.212 -0.504 1.00 14.51 N flip ATOM 0 H ASN A 104 11.278 1.496 -2.842 1.00 12.34 H new ATOM 0 HA ASN A 104 13.679 0.479 -1.755 1.00 2.12 H new ATOM 0 HB2 ASN A 104 13.461 2.693 -2.859 1.00 24.13 H new ATOM 0 HB3 ASN A 104 12.388 3.244 -1.588 1.00 24.13 H new ATOM 0 HD21 ASN A 104 13.658 4.825 -0.608 1.00 14.51 H new ATOM 0 HD22 ASN A 104 15.291 4.536 0.001 1.00 14.51 H new ATOM 1698 N ALA A 105 11.332 1.456 0.418 1.00 73.35 N ATOM 1699 CA ALA A 105 10.846 1.382 1.816 1.00 54.12 C ATOM 1700 C ALA A 105 10.775 -0.075 2.311 1.00 33.33 C ATOM 1701 O ALA A 105 11.102 -0.367 3.465 1.00 31.43 O ATOM 1702 CB ALA A 105 9.464 2.047 1.932 1.00 54.05 C ATOM 0 H ALA A 105 10.676 1.918 -0.213 1.00 73.35 H new ATOM 0 HA ALA A 105 11.557 1.916 2.446 1.00 54.12 H new ATOM 0 HB1 ALA A 105 9.117 1.987 2.963 1.00 54.05 H new ATOM 0 HB2 ALA A 105 9.537 3.093 1.634 1.00 54.05 H new ATOM 0 HB3 ALA A 105 8.757 1.533 1.281 1.00 54.05 H new ATOM 1708 N TYR A 106 10.373 -0.984 1.395 1.00 2.04 N ATOM 1709 CA TYR A 106 10.296 -2.433 1.659 1.00 41.03 C ATOM 1710 C TYR A 106 11.705 -2.980 1.910 1.00 32.23 C ATOM 1711 O TYR A 106 11.929 -3.691 2.887 1.00 54.41 O ATOM 1712 CB TYR A 106 9.655 -3.182 0.449 1.00 65.42 C ATOM 1713 CG TYR A 106 9.333 -4.685 0.686 1.00 42.04 C ATOM 1714 CD1 TYR A 106 10.339 -5.661 0.791 1.00 11.33 C ATOM 1715 CD2 TYR A 106 8.020 -5.127 0.783 1.00 62.11 C ATOM 1716 CE1 TYR A 106 10.037 -6.997 0.990 1.00 51.43 C ATOM 1717 CE2 TYR A 106 7.725 -6.458 0.984 1.00 51.34 C ATOM 1718 CZ TYR A 106 8.725 -7.385 1.084 1.00 72.52 C ATOM 1719 OH TYR A 106 8.402 -8.711 1.283 1.00 3.25 O ATOM 0 H TYR A 106 10.092 -0.729 0.448 1.00 2.04 H new ATOM 0 HA TYR A 106 9.672 -2.595 2.538 1.00 41.03 H new ATOM 0 HB2 TYR A 106 8.733 -2.670 0.174 1.00 65.42 H new ATOM 0 HB3 TYR A 106 10.330 -3.103 -0.403 1.00 65.42 H new ATOM 0 HD1 TYR A 106 11.374 -5.361 0.714 1.00 11.33 H new ATOM 0 HD2 TYR A 106 7.214 -4.413 0.699 1.00 62.11 H new ATOM 0 HE1 TYR A 106 10.828 -7.728 1.071 1.00 51.43 H new ATOM 0 HE2 TYR A 106 6.695 -6.772 1.063 1.00 51.34 H new ATOM 0 HH TYR A 106 7.428 -8.807 1.327 1.00 3.25 H new ATOM 1729 N GLY A 107 12.634 -2.650 0.987 1.00 11.52 N ATOM 1730 CA GLY A 107 14.021 -3.133 1.044 1.00 4.33 C ATOM 1731 C GLY A 107 14.751 -2.692 2.301 1.00 74.30 C ATOM 1732 O GLY A 107 15.484 -3.479 2.920 1.00 2.40 O ATOM 0 H GLY A 107 12.441 -2.045 0.189 1.00 11.52 H new ATOM 0 HA2 GLY A 107 14.023 -4.222 0.992 1.00 4.33 H new ATOM 0 HA3 GLY A 107 14.562 -2.771 0.170 1.00 4.33 H new ATOM 1736 N ARG A 108 14.507 -1.433 2.702 1.00 30.40 N ATOM 1737 CA ARG A 108 15.116 -0.850 3.903 1.00 4.00 C ATOM 1738 C ARG A 108 14.437 -1.413 5.175 1.00 42.44 C ATOM 1739 O ARG A 108 15.065 -1.488 6.229 1.00 22.00 O ATOM 1740 CB ARG A 108 15.031 0.704 3.881 1.00 41.32 C ATOM 1741 CG ARG A 108 15.641 1.404 2.636 1.00 14.24 C ATOM 1742 CD ARG A 108 17.073 0.954 2.309 1.00 54.31 C ATOM 1743 NE ARG A 108 17.715 1.821 1.307 1.00 42.23 N ATOM 1744 CZ ARG A 108 18.746 1.470 0.512 1.00 1.02 C ATOM 1745 NH1 ARG A 108 19.296 0.243 0.563 1.00 53.23 N ATOM 1746 NH2 ARG A 108 19.246 2.369 -0.319 1.00 12.44 N ATOM 0 H ARG A 108 13.885 -0.796 2.204 1.00 30.40 H new ATOM 0 HA ARG A 108 16.171 -1.126 3.916 1.00 4.00 H new ATOM 0 HB2 ARG A 108 13.982 0.991 3.957 1.00 41.32 H new ATOM 0 HB3 ARG A 108 15.532 1.088 4.770 1.00 41.32 H new ATOM 0 HG2 ARG A 108 15.004 1.210 1.773 1.00 14.24 H new ATOM 0 HG3 ARG A 108 15.637 2.482 2.799 1.00 14.24 H new ATOM 0 HD2 ARG A 108 17.669 0.954 3.222 1.00 54.31 H new ATOM 0 HD3 ARG A 108 17.054 -0.072 1.940 1.00 54.31 H new ATOM 0 HE ARG A 108 17.349 2.768 1.206 1.00 42.23 H new ATOM 0 HH11 ARG A 108 18.934 -0.452 1.216 1.00 53.23 H new ATOM 0 HH12 ARG A 108 20.075 0.007 -0.052 1.00 53.23 H new ATOM 0 HH21 ARG A 108 18.852 3.309 -0.351 1.00 12.44 H new ATOM 0 HH22 ARG A 108 20.026 2.122 -0.928 1.00 12.44 H new ATOM 1760 N LEU A 109 13.133 -1.784 5.071 1.00 54.13 N ATOM 1761 CA LEU A 109 12.371 -2.415 6.188 1.00 1.31 C ATOM 1762 C LEU A 109 12.859 -3.845 6.428 1.00 24.41 C ATOM 1763 O LEU A 109 12.956 -4.300 7.575 1.00 13.24 O ATOM 1764 CB LEU A 109 10.845 -2.394 5.895 1.00 64.42 C ATOM 1765 CG LEU A 109 9.905 -2.945 7.021 1.00 55.02 C ATOM 1766 CD1 LEU A 109 10.084 -2.187 8.360 1.00 43.52 C ATOM 1767 CD2 LEU A 109 8.436 -2.916 6.555 1.00 44.34 C ATOM 0 H LEU A 109 12.583 -1.657 4.221 1.00 54.13 H new ATOM 0 HA LEU A 109 12.548 -1.836 7.094 1.00 1.31 H new ATOM 0 HB2 LEU A 109 10.554 -1.366 5.681 1.00 64.42 H new ATOM 0 HB3 LEU A 109 10.665 -2.971 4.988 1.00 64.42 H new ATOM 0 HG LEU A 109 10.191 -3.980 7.209 1.00 55.02 H new ATOM 0 HD11 LEU A 109 9.411 -2.606 9.108 1.00 43.52 H new ATOM 0 HD12 LEU A 109 11.114 -2.289 8.701 1.00 43.52 H new ATOM 0 HD13 LEU A 109 9.853 -1.132 8.214 1.00 43.52 H new ATOM 0 HD21 LEU A 109 7.795 -3.302 7.348 1.00 44.34 H new ATOM 0 HD22 LEU A 109 8.148 -1.891 6.322 1.00 44.34 H new ATOM 0 HD23 LEU A 109 8.324 -3.535 5.665 1.00 44.34 H new ATOM 1779 N SER A 110 13.196 -4.519 5.326 1.00 62.21 N ATOM 1780 CA SER A 110 13.728 -5.875 5.341 1.00 63.00 C ATOM 1781 C SER A 110 15.152 -5.865 5.928 1.00 45.34 C ATOM 1782 O SER A 110 15.502 -6.740 6.728 1.00 11.11 O ATOM 1783 CB SER A 110 13.725 -6.443 3.898 1.00 40.15 C ATOM 1784 OG SER A 110 14.261 -7.756 3.840 1.00 51.40 O ATOM 0 H SER A 110 13.104 -4.129 4.388 1.00 62.21 H new ATOM 0 HA SER A 110 13.105 -6.514 5.967 1.00 63.00 H new ATOM 0 HB2 SER A 110 12.705 -6.451 3.514 1.00 40.15 H new ATOM 0 HB3 SER A 110 14.305 -5.786 3.249 1.00 40.15 H new ATOM 0 HG SER A 110 14.240 -8.077 2.914 1.00 51.40 H new ATOM 1790 N GLY A 111 15.961 -4.845 5.539 1.00 14.54 N ATOM 1791 CA GLY A 111 17.365 -4.794 5.949 1.00 53.32 C ATOM 1792 C GLY A 111 17.613 -4.061 7.272 1.00 0.22 C ATOM 1793 O GLY A 111 18.060 -4.686 8.236 1.00 0.23 O ATOM 0 H GLY A 111 15.660 -4.066 4.953 1.00 14.54 H new ATOM 0 HA2 GLY A 111 17.742 -5.813 6.036 1.00 53.32 H new ATOM 0 HA3 GLY A 111 17.942 -4.306 5.164 1.00 53.32 H new ATOM 1797 N MET A 112 17.320 -2.735 7.341 1.00 62.24 N ATOM 1798 CA MET A 112 17.633 -1.928 8.558 1.00 65.21 C ATOM 1799 C MET A 112 16.408 -1.793 9.511 1.00 41.20 C ATOM 1800 O MET A 112 16.423 -2.392 10.589 1.00 63.23 O ATOM 1801 CB MET A 112 18.187 -0.511 8.149 1.00 42.35 C ATOM 1802 CG MET A 112 19.458 -0.084 8.916 1.00 14.52 C ATOM 1803 SD MET A 112 19.311 -0.216 10.716 1.00 73.11 S ATOM 1804 CE MET A 112 18.048 0.989 11.101 1.00 33.25 C ATOM 0 H MET A 112 16.877 -2.209 6.588 1.00 62.24 H new ATOM 0 HA MET A 112 18.405 -2.462 9.112 1.00 65.21 H new ATOM 0 HB2 MET A 112 18.404 -0.512 7.081 1.00 42.35 H new ATOM 0 HB3 MET A 112 17.408 0.233 8.315 1.00 42.35 H new ATOM 0 HG2 MET A 112 20.294 -0.699 8.584 1.00 14.52 H new ATOM 0 HG3 MET A 112 19.698 0.947 8.656 1.00 14.52 H new ATOM 0 HE1 MET A 112 17.846 0.974 12.172 1.00 33.25 H new ATOM 0 HE2 MET A 112 18.391 1.982 10.810 1.00 33.25 H new ATOM 0 HE3 MET A 112 17.136 0.747 10.556 1.00 33.25 H new ATOM 1814 N LEU A 113 15.340 -1.053 9.054 1.00 42.43 N ATOM 1815 CA LEU A 113 14.058 -0.800 9.807 1.00 42.12 C ATOM 1816 C LEU A 113 13.302 0.359 9.089 1.00 73.21 C ATOM 1817 O LEU A 113 12.948 1.373 9.699 1.00 13.12 O ATOM 1818 CB LEU A 113 14.284 -0.444 11.341 1.00 61.10 C ATOM 1819 CG LEU A 113 13.186 -0.946 12.361 1.00 4.21 C ATOM 1820 CD1 LEU A 113 13.585 -0.632 13.820 1.00 1.54 C ATOM 1821 CD2 LEU A 113 11.776 -0.387 12.049 1.00 14.52 C ATOM 0 H LEU A 113 15.347 -0.608 8.136 1.00 42.43 H new ATOM 0 HA LEU A 113 13.474 -1.720 9.802 1.00 42.12 H new ATOM 0 HB2 LEU A 113 15.245 -0.857 11.647 1.00 61.10 H new ATOM 0 HB3 LEU A 113 14.360 0.640 11.430 1.00 61.10 H new ATOM 0 HG LEU A 113 13.134 -2.028 12.241 1.00 4.21 H new ATOM 0 HD11 LEU A 113 12.808 -0.991 14.495 1.00 1.54 H new ATOM 0 HD12 LEU A 113 14.527 -1.128 14.055 1.00 1.54 H new ATOM 0 HD13 LEU A 113 13.702 0.445 13.941 1.00 1.54 H new ATOM 0 HD21 LEU A 113 11.064 -0.766 12.782 1.00 14.52 H new ATOM 0 HD22 LEU A 113 11.798 0.702 12.094 1.00 14.52 H new ATOM 0 HD23 LEU A 113 11.472 -0.703 11.051 1.00 14.52 H new ATOM 1833 N LEU A 114 13.188 0.222 7.759 1.00 12.35 N ATOM 1834 CA LEU A 114 12.468 1.140 6.823 1.00 2.04 C ATOM 1835 C LEU A 114 13.309 2.403 6.517 1.00 51.00 C ATOM 1836 O LEU A 114 13.186 2.989 5.440 1.00 31.31 O ATOM 1837 CB LEU A 114 10.998 1.446 7.299 1.00 50.22 C ATOM 1838 CG LEU A 114 9.904 1.671 6.182 1.00 24.40 C ATOM 1839 CD1 LEU A 114 8.481 1.404 6.733 1.00 11.01 C ATOM 1840 CD2 LEU A 114 9.985 3.083 5.545 1.00 74.53 C ATOM 0 H LEU A 114 13.611 -0.566 7.269 1.00 12.35 H new ATOM 0 HA LEU A 114 12.349 0.623 5.871 1.00 2.04 H new ATOM 0 HB2 LEU A 114 10.670 0.620 7.930 1.00 50.22 H new ATOM 0 HB3 LEU A 114 11.026 2.336 7.927 1.00 50.22 H new ATOM 0 HG LEU A 114 10.114 0.950 5.392 1.00 24.40 H new ATOM 0 HD11 LEU A 114 7.748 1.567 5.943 1.00 11.01 H new ATOM 0 HD12 LEU A 114 8.414 0.374 7.084 1.00 11.01 H new ATOM 0 HD13 LEU A 114 8.278 2.083 7.561 1.00 11.01 H new ATOM 0 HD21 LEU A 114 9.211 3.184 4.784 1.00 74.53 H new ATOM 0 HD22 LEU A 114 9.837 3.839 6.316 1.00 74.53 H new ATOM 0 HD23 LEU A 114 10.964 3.220 5.087 1.00 74.53 H new ATOM 1852 N VAL A 115 14.210 2.767 7.436 1.00 53.03 N ATOM 1853 CA VAL A 115 15.161 3.868 7.244 1.00 11.43 C ATOM 1854 C VAL A 115 16.445 3.306 6.564 1.00 14.33 C ATOM 1855 O VAL A 115 16.934 2.237 6.958 1.00 31.44 O ATOM 1856 CB VAL A 115 15.491 4.584 8.615 1.00 34.12 C ATOM 1857 CG1 VAL A 115 14.250 5.340 9.152 1.00 4.43 C ATOM 1858 CG2 VAL A 115 16.027 3.586 9.669 1.00 73.43 C ATOM 0 H VAL A 115 14.301 2.303 8.340 1.00 53.03 H new ATOM 0 HA VAL A 115 14.718 4.626 6.598 1.00 11.43 H new ATOM 0 HB VAL A 115 16.281 5.310 8.423 1.00 34.12 H new ATOM 0 HG11 VAL A 115 14.500 5.825 10.096 1.00 4.43 H new ATOM 0 HG12 VAL A 115 13.941 6.093 8.427 1.00 4.43 H new ATOM 0 HG13 VAL A 115 13.435 4.634 9.311 1.00 4.43 H new ATOM 0 HG21 VAL A 115 16.242 4.117 10.596 1.00 73.43 H new ATOM 0 HG22 VAL A 115 15.277 2.817 9.856 1.00 73.43 H new ATOM 0 HG23 VAL A 115 16.940 3.120 9.298 1.00 73.43 H new ATOM 1868 N PRO A 116 16.971 3.978 5.494 1.00 30.32 N ATOM 1869 CA PRO A 116 18.172 3.504 4.751 1.00 51.31 C ATOM 1870 C PRO A 116 19.486 3.674 5.539 1.00 3.33 C ATOM 1871 O PRO A 116 19.740 4.737 6.113 1.00 11.45 O ATOM 1872 CB PRO A 116 18.165 4.395 3.483 1.00 64.35 C ATOM 1873 CG PRO A 116 17.483 5.656 3.908 1.00 10.31 C ATOM 1874 CD PRO A 116 16.423 5.232 4.903 1.00 72.32 C ATOM 0 HA PRO A 116 18.128 2.434 4.547 1.00 51.31 H new ATOM 0 HB2 PRO A 116 19.178 4.592 3.132 1.00 64.35 H new ATOM 0 HB3 PRO A 116 17.632 3.913 2.664 1.00 64.35 H new ATOM 0 HG2 PRO A 116 18.190 6.350 4.361 1.00 10.31 H new ATOM 0 HG3 PRO A 116 17.037 6.167 3.055 1.00 10.31 H new ATOM 0 HD2 PRO A 116 16.261 5.995 5.664 1.00 72.32 H new ATOM 0 HD3 PRO A 116 15.464 5.059 4.416 1.00 72.32 H new ATOM 1882 N ASP A 117 20.307 2.613 5.577 1.00 45.04 N ATOM 1883 CA ASP A 117 21.673 2.691 6.119 1.00 11.33 C ATOM 1884 C ASP A 117 22.603 3.278 5.035 1.00 5.33 C ATOM 1885 O ASP A 117 22.936 4.467 5.072 1.00 43.53 O ATOM 1886 CB ASP A 117 22.157 1.287 6.587 1.00 33.41 C ATOM 1887 CG ASP A 117 23.600 1.298 7.139 1.00 61.12 C ATOM 1888 OD1 ASP A 117 24.548 1.001 6.379 1.00 43.20 O ATOM 1889 OD2 ASP A 117 23.792 1.603 8.334 1.00 15.12 O ATOM 0 H ASP A 117 20.047 1.687 5.237 1.00 45.04 H new ATOM 0 HA ASP A 117 21.690 3.343 6.992 1.00 11.33 H new ATOM 0 HB2 ASP A 117 21.482 0.915 7.358 1.00 33.41 H new ATOM 0 HB3 ASP A 117 22.100 0.591 5.750 1.00 33.41 H new ATOM 1894 N ALA A 118 22.944 2.437 4.037 1.00 42.55 N ATOM 1895 CA ALA A 118 23.844 2.791 2.924 1.00 11.22 C ATOM 1896 C ALA A 118 23.832 1.654 1.869 1.00 52.54 C ATOM 1897 O ALA A 118 23.780 0.476 2.242 1.00 41.41 O ATOM 1898 CB ALA A 118 25.282 3.060 3.432 1.00 32.20 C ATOM 0 H ALA A 118 22.596 1.480 3.982 1.00 42.55 H new ATOM 0 HA ALA A 118 23.487 3.711 2.461 1.00 11.22 H new ATOM 0 HB1 ALA A 118 25.923 3.319 2.589 1.00 32.20 H new ATOM 0 HB2 ALA A 118 25.268 3.885 4.144 1.00 32.20 H new ATOM 0 HB3 ALA A 118 25.668 2.166 3.921 1.00 32.20 H new ATOM 1904 N PRO A 119 23.870 1.978 0.532 1.00 54.04 N ATOM 1905 CA PRO A 119 23.881 0.960 -0.550 1.00 23.53 C ATOM 1906 C PRO A 119 25.218 0.186 -0.633 1.00 45.42 C ATOM 1907 O PRO A 119 26.259 0.663 -0.158 1.00 40.32 O ATOM 1908 CB PRO A 119 23.634 1.798 -1.848 1.00 64.22 C ATOM 1909 CG PRO A 119 23.216 3.163 -1.369 1.00 2.34 C ATOM 1910 CD PRO A 119 23.901 3.344 -0.038 1.00 1.02 C ATOM 0 HA PRO A 119 23.131 0.187 -0.384 1.00 23.53 H new ATOM 0 HB2 PRO A 119 24.536 1.855 -2.457 1.00 64.22 H new ATOM 0 HB3 PRO A 119 22.860 1.345 -2.467 1.00 64.22 H new ATOM 0 HG2 PRO A 119 23.517 3.937 -2.075 1.00 2.34 H new ATOM 0 HG3 PRO A 119 22.133 3.229 -1.266 1.00 2.34 H new ATOM 0 HD2 PRO A 119 24.921 3.711 -0.154 1.00 1.02 H new ATOM 0 HD3 PRO A 119 23.375 4.059 0.595 1.00 1.02 H new ATOM 1918 N GLY A 120 25.163 -1.012 -1.237 1.00 15.13 N ATOM 1919 CA GLY A 120 26.356 -1.802 -1.528 1.00 23.25 C ATOM 1920 C GLY A 120 27.090 -1.252 -2.744 1.00 22.23 C ATOM 1921 O GLY A 120 26.807 -1.652 -3.876 1.00 3.21 O ATOM 0 H GLY A 120 24.292 -1.453 -1.533 1.00 15.13 H new ATOM 0 HA2 GLY A 120 27.020 -1.796 -0.664 1.00 23.25 H new ATOM 0 HA3 GLY A 120 26.075 -2.840 -1.707 1.00 23.25 H new ATOM 1925 N ALA A 121 27.985 -0.282 -2.508 1.00 74.42 N ATOM 1926 CA ALA A 121 28.804 0.333 -3.560 1.00 15.33 C ATOM 1927 C ALA A 121 29.916 -0.641 -4.003 1.00 23.41 C ATOM 1928 O ALA A 121 30.987 -0.693 -3.387 1.00 12.22 O ATOM 1929 CB ALA A 121 29.380 1.670 -3.059 1.00 33.22 C ATOM 0 H ALA A 121 28.161 0.099 -1.578 1.00 74.42 H new ATOM 0 HA ALA A 121 28.184 0.543 -4.432 1.00 15.33 H new ATOM 0 HB1 ALA A 121 29.987 2.122 -3.844 1.00 33.22 H new ATOM 0 HB2 ALA A 121 28.563 2.343 -2.799 1.00 33.22 H new ATOM 0 HB3 ALA A 121 29.998 1.493 -2.179 1.00 33.22 H new ATOM 1935 N SER A 122 29.615 -1.435 -5.044 1.00 44.33 N ATOM 1936 CA SER A 122 30.518 -2.457 -5.600 1.00 42.34 C ATOM 1937 C SER A 122 31.721 -1.790 -6.330 1.00 50.32 C ATOM 1938 O SER A 122 31.585 -1.412 -7.520 1.00 64.23 O ATOM 1939 CB SER A 122 29.703 -3.395 -6.542 1.00 41.33 C ATOM 1940 OG SER A 122 28.901 -2.649 -7.459 1.00 61.21 O ATOM 1941 OXT SER A 122 32.783 -1.615 -5.702 1.00 37.46 O ATOM 0 H SER A 122 28.721 -1.384 -5.532 1.00 44.33 H new ATOM 0 HA SER A 122 30.939 -3.060 -4.795 1.00 42.34 H new ATOM 0 HB2 SER A 122 30.386 -4.039 -7.095 1.00 41.33 H new ATOM 0 HB3 SER A 122 29.064 -4.046 -5.945 1.00 41.33 H new ATOM 0 HG SER A 122 29.444 -1.945 -7.871 1.00 61.21 H new TER 1947 SER A 122