USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 639 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 60 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 64 ASN : amide:sc= 0 X(o=0,f=0.16) USER MOD Single : A 1 MET CE :methyl -157:sc= -0.284 (180deg=-1.13) USER MOD Single : A 1 MET N :NH3+ -168:sc= -0.0118 (180deg=-0.181) USER MOD Single : A 3 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 7 ASN :FLIP amide:sc= -0.152 F(o=-1.8!,f=-0.15) USER MOD Single : A 11 MET CE :methyl 140:sc= -2.74! (180deg=-5.64!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 150:sc= -0.742 (180deg=-3.28!) USER MOD Single : A 20 THR OG1 : rot -73:sc= 0.819 USER MOD Single : A 26 GLN :FLIP amide:sc= -0.834 F(o=-2.4!,f=-0.83) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 40 HIS : no HD1:sc= -0.744 K(o=-0.74,f=-2.3) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 101:sc= 0.451 USER MOD Single : A 47 SER OG : rot 160:sc= 0.566 USER MOD Single : A 50 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0079) USER MOD Single : A 51 THR OG1 : rot -62:sc= 0.157 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 120:sc= -0.466 USER MOD Single : A 58 TYR OH : rot 57:sc= 1.33 USER MOD Single : A 59 ASN : amide:sc= -3.08! C(o=-3.1!,f=-8.2!) USER MOD Single : A 65 LYS NZ :NH3+ -176:sc= 1.31 (180deg=1.25) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HE2:sc= -0.421 K(o=-0.42,f=-1.4) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.0015) USER MOD Single : A 77 HIS : no HD1:sc= -0.0442 X(o=-0.044,f=0) USER MOD Single : A 78 HIS : no HE2:sc= -0.0396 K(o=-0.04,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.952 -6.217 -6.299 1.00 3.22 N ATOM 2 CA MET A 1 13.036 -6.903 -5.542 1.00 13.24 C ATOM 3 C MET A 1 12.751 -6.895 -4.033 1.00 0.20 C ATOM 4 O MET A 1 13.255 -6.035 -3.306 1.00 74.42 O ATOM 5 CB MET A 1 14.396 -6.230 -5.800 1.00 73.44 C ATOM 6 CG MET A 1 14.826 -6.212 -7.260 1.00 60.53 C ATOM 7 SD MET A 1 16.393 -5.345 -7.502 1.00 3.01 S ATOM 8 CE MET A 1 15.990 -3.725 -6.849 1.00 73.10 C ATOM 0 H1 MET A 1 12.062 -6.411 -7.315 1.00 3.22 H new ATOM 0 H2 MET A 1 11.028 -6.569 -5.977 1.00 3.22 H new ATOM 0 H3 MET A 1 12.009 -5.192 -6.134 1.00 3.22 H new ATOM 0 HA MET A 1 13.070 -7.935 -5.892 1.00 13.24 H new ATOM 0 HB2 MET A 1 14.354 -5.204 -5.434 1.00 73.44 H new ATOM 0 HB3 MET A 1 15.159 -6.746 -5.216 1.00 73.44 H new ATOM 0 HG2 MET A 1 14.920 -7.236 -7.621 1.00 60.53 H new ATOM 0 HG3 MET A 1 14.052 -5.733 -7.859 1.00 60.53 H new ATOM 0 HE1 MET A 1 16.664 -2.982 -7.277 1.00 73.10 H new ATOM 0 HE2 MET A 1 14.961 -3.474 -7.108 1.00 73.10 H new ATOM 0 HE3 MET A 1 16.100 -3.732 -5.765 1.00 73.10 H new ATOM 20 N ALA A 2 11.930 -7.838 -3.568 1.00 54.03 N ATOM 21 CA ALA A 2 11.600 -7.939 -2.139 1.00 61.44 C ATOM 22 C ALA A 2 10.714 -9.153 -1.832 1.00 61.12 C ATOM 23 O ALA A 2 9.700 -9.382 -2.493 1.00 61.03 O ATOM 24 CB ALA A 2 10.903 -6.670 -1.657 1.00 54.23 C ATOM 0 H ALA A 2 11.481 -8.542 -4.154 1.00 54.03 H new ATOM 0 HA ALA A 2 12.543 -8.066 -1.608 1.00 61.44 H new ATOM 0 HB1 ALA A 2 10.667 -6.765 -0.597 1.00 54.23 H new ATOM 0 HB2 ALA A 2 11.561 -5.814 -1.807 1.00 54.23 H new ATOM 0 HB3 ALA A 2 9.982 -6.524 -2.222 1.00 54.23 H new ATOM 30 N GLN A 3 11.105 -9.928 -0.823 1.00 45.42 N ATOM 31 CA GLN A 3 10.269 -11.016 -0.307 1.00 4.13 C ATOM 32 C GLN A 3 10.448 -11.150 1.217 1.00 20.30 C ATOM 33 O GLN A 3 11.556 -11.363 1.709 1.00 40.12 O ATOM 34 CB GLN A 3 10.590 -12.351 -1.010 1.00 74.24 C ATOM 35 CG GLN A 3 11.992 -12.899 -0.740 1.00 71.30 C ATOM 36 CD GLN A 3 12.214 -14.286 -1.332 1.00 52.22 C ATOM 37 OE1 GLN A 3 11.280 -15.068 -1.491 1.00 24.51 O ATOM 38 NE2 GLN A 3 13.450 -14.615 -1.639 1.00 1.52 N ATOM 0 H GLN A 3 11.999 -9.824 -0.343 1.00 45.42 H new ATOM 0 HA GLN A 3 9.228 -10.771 -0.518 1.00 4.13 H new ATOM 0 HB2 GLN A 3 9.858 -13.095 -0.697 1.00 74.24 H new ATOM 0 HB3 GLN A 3 10.469 -12.217 -2.085 1.00 74.24 H new ATOM 0 HG2 GLN A 3 12.730 -12.212 -1.153 1.00 71.30 H new ATOM 0 HG3 GLN A 3 12.160 -12.938 0.336 1.00 71.30 H new ATOM 0 HE21 GLN A 3 14.206 -13.946 -1.497 1.00 1.52 H new ATOM 0 HE22 GLN A 3 13.652 -15.540 -2.020 1.00 1.52 H new ATOM 47 N ILE A 4 9.357 -10.998 1.963 1.00 31.02 N ATOM 48 CA ILE A 4 9.399 -11.070 3.429 1.00 15.23 C ATOM 49 C ILE A 4 8.662 -12.319 3.945 1.00 51.12 C ATOM 50 O ILE A 4 7.432 -12.347 4.012 1.00 55.22 O ATOM 51 CB ILE A 4 8.775 -9.799 4.065 1.00 14.22 C ATOM 52 CG1 ILE A 4 9.474 -8.530 3.542 1.00 13.33 C ATOM 53 CG2 ILE A 4 8.852 -9.861 5.590 1.00 23.40 C ATOM 54 CD1 ILE A 4 10.957 -8.461 3.865 1.00 5.44 C ATOM 0 H ILE A 4 8.428 -10.824 1.579 1.00 31.02 H new ATOM 0 HA ILE A 4 10.447 -11.135 3.721 1.00 15.23 H new ATOM 0 HB ILE A 4 7.725 -9.758 3.777 1.00 14.22 H new ATOM 0 HG12 ILE A 4 9.346 -8.477 2.461 1.00 13.33 H new ATOM 0 HG13 ILE A 4 8.980 -7.655 3.965 1.00 13.33 H new ATOM 0 HG21 ILE A 4 8.409 -8.960 6.014 1.00 23.40 H new ATOM 0 HG22 ILE A 4 8.307 -10.735 5.947 1.00 23.40 H new ATOM 0 HG23 ILE A 4 9.895 -9.932 5.899 1.00 23.40 H new ATOM 0 HD11 ILE A 4 11.374 -7.538 3.462 1.00 5.44 H new ATOM 0 HD12 ILE A 4 11.095 -8.481 4.946 1.00 5.44 H new ATOM 0 HD13 ILE A 4 11.467 -9.315 3.419 1.00 5.44 H new ATOM 66 N ILE A 5 9.419 -13.356 4.301 1.00 32.23 N ATOM 67 CA ILE A 5 8.833 -14.627 4.744 1.00 13.23 C ATOM 68 C ILE A 5 8.820 -14.748 6.279 1.00 74.10 C ATOM 69 O ILE A 5 9.855 -14.974 6.904 1.00 63.25 O ATOM 70 CB ILE A 5 9.591 -15.851 4.147 1.00 31.30 C ATOM 71 CG1 ILE A 5 9.458 -15.901 2.611 1.00 61.11 C ATOM 72 CG2 ILE A 5 9.083 -17.159 4.758 1.00 21.51 C ATOM 73 CD1 ILE A 5 10.228 -14.824 1.875 1.00 25.03 C ATOM 0 H ILE A 5 10.439 -13.344 4.292 1.00 32.23 H new ATOM 0 HA ILE A 5 7.806 -14.629 4.379 1.00 13.23 H new ATOM 0 HB ILE A 5 10.646 -15.732 4.396 1.00 31.30 H new ATOM 0 HG12 ILE A 5 9.799 -16.876 2.262 1.00 61.11 H new ATOM 0 HG13 ILE A 5 8.403 -15.819 2.348 1.00 61.11 H new ATOM 0 HG21 ILE A 5 9.627 -17.998 4.325 1.00 21.51 H new ATOM 0 HG22 ILE A 5 9.240 -17.142 5.836 1.00 21.51 H new ATOM 0 HG23 ILE A 5 8.019 -17.270 4.548 1.00 21.51 H new ATOM 0 HD11 ILE A 5 10.076 -14.937 0.802 1.00 25.03 H new ATOM 0 HD12 ILE A 5 9.873 -13.843 2.190 1.00 25.03 H new ATOM 0 HD13 ILE A 5 11.290 -14.916 2.103 1.00 25.03 H new ATOM 85 N PHE A 6 7.644 -14.581 6.878 1.00 14.44 N ATOM 86 CA PHE A 6 7.456 -14.841 8.315 1.00 60.11 C ATOM 87 C PHE A 6 6.573 -16.079 8.533 1.00 31.12 C ATOM 88 O PHE A 6 6.119 -16.354 9.647 1.00 60.24 O ATOM 89 CB PHE A 6 6.841 -13.620 9.017 1.00 32.23 C ATOM 90 CG PHE A 6 7.782 -12.446 9.144 1.00 23.42 C ATOM 91 CD1 PHE A 6 9.076 -12.626 9.613 1.00 73.12 C ATOM 92 CD2 PHE A 6 7.371 -11.166 8.802 1.00 31.14 C ATOM 93 CE1 PHE A 6 9.939 -11.553 9.737 1.00 60.01 C ATOM 94 CE2 PHE A 6 8.229 -10.091 8.927 1.00 54.44 C ATOM 95 CZ PHE A 6 9.514 -10.285 9.395 1.00 74.21 C ATOM 0 H PHE A 6 6.802 -14.267 6.396 1.00 14.44 H new ATOM 0 HA PHE A 6 8.436 -15.032 8.752 1.00 60.11 H new ATOM 0 HB2 PHE A 6 5.955 -13.305 8.465 1.00 32.23 H new ATOM 0 HB3 PHE A 6 6.508 -13.915 10.012 1.00 32.23 H new ATOM 0 HD1 PHE A 6 9.413 -13.616 9.884 1.00 73.12 H new ATOM 0 HD2 PHE A 6 6.368 -11.008 8.434 1.00 31.14 H new ATOM 0 HE1 PHE A 6 10.944 -11.707 10.101 1.00 60.01 H new ATOM 0 HE2 PHE A 6 7.895 -9.099 8.659 1.00 54.44 H new ATOM 0 HZ PHE A 6 10.186 -9.445 9.493 1.00 74.21 H new ATOM 105 N ASN A 7 6.347 -16.832 7.457 1.00 35.20 N ATOM 106 CA ASN A 7 5.528 -18.046 7.507 1.00 63.41 C ATOM 107 C ASN A 7 6.324 -19.227 8.097 1.00 25.50 C ATOM 108 O ASN A 7 6.572 -20.229 7.426 1.00 42.52 O ATOM 109 CB ASN A 7 5.018 -18.388 6.096 1.00 20.22 C ATOM 110 CG ASN A 7 3.941 -19.462 6.100 1.00 2.12 C ATOM 111 OD1 ASN A 7 4.343 -20.711 5.993 1.00 14.12 O flip ATOM 112 ND2 ASN A 7 2.756 -19.168 6.201 1.00 64.21 N flip ATOM 0 H ASN A 7 6.722 -16.621 6.532 1.00 35.20 H new ATOM 0 HA ASN A 7 4.674 -17.863 8.159 1.00 63.41 H new ATOM 0 HB2 ASN A 7 4.622 -17.486 5.630 1.00 20.22 H new ATOM 0 HB3 ASN A 7 5.855 -18.723 5.484 1.00 20.22 H new ATOM 0 HD21 ASN A 7 2.478 -18.190 6.282 1.00 64.21 H new ATOM 0 HD22 ASN A 7 2.047 -19.901 6.204 1.00 64.21 H new ATOM 119 N GLU A 8 6.741 -19.084 9.354 1.00 13.35 N ATOM 120 CA GLU A 8 7.483 -20.138 10.056 1.00 54.41 C ATOM 121 C GLU A 8 6.850 -20.461 11.416 1.00 22.44 C ATOM 122 O GLU A 8 6.757 -19.603 12.296 1.00 10.13 O ATOM 123 CB GLU A 8 8.951 -19.734 10.263 1.00 51.02 C ATOM 124 CG GLU A 8 9.770 -19.667 8.977 1.00 4.33 C ATOM 125 CD GLU A 8 11.245 -19.407 9.240 1.00 54.34 C ATOM 126 OE1 GLU A 8 11.932 -20.318 9.749 1.00 10.44 O ATOM 127 OE2 GLU A 8 11.725 -18.290 8.950 1.00 44.15 O ATOM 0 H GLU A 8 6.578 -18.246 9.912 1.00 13.35 H new ATOM 0 HA GLU A 8 7.440 -21.028 9.429 1.00 54.41 H new ATOM 0 HB2 GLU A 8 8.982 -18.760 10.751 1.00 51.02 H new ATOM 0 HB3 GLU A 8 9.420 -20.446 10.942 1.00 51.02 H new ATOM 0 HG2 GLU A 8 9.661 -20.604 8.431 1.00 4.33 H new ATOM 0 HG3 GLU A 8 9.373 -18.878 8.338 1.00 4.33 H new ATOM 134 N GLU A 9 6.413 -21.704 11.573 1.00 51.45 N ATOM 135 CA GLU A 9 5.886 -22.198 12.850 1.00 42.21 C ATOM 136 C GLU A 9 6.534 -23.549 13.191 1.00 3.24 C ATOM 137 O GLU A 9 6.067 -24.608 12.766 1.00 52.55 O ATOM 138 CB GLU A 9 4.349 -22.315 12.791 1.00 43.40 C ATOM 139 CG GLU A 9 3.704 -23.016 13.992 1.00 2.20 C ATOM 140 CD GLU A 9 3.777 -22.227 15.295 1.00 4.11 C ATOM 141 OE1 GLU A 9 4.856 -22.208 15.926 1.00 24.34 O ATOM 142 OE2 GLU A 9 2.743 -21.659 15.710 1.00 10.13 O ATOM 0 H GLU A 9 6.411 -22.399 10.826 1.00 51.45 H new ATOM 0 HA GLU A 9 6.134 -21.488 13.639 1.00 42.21 H new ATOM 0 HB2 GLU A 9 3.927 -21.314 12.705 1.00 43.40 H new ATOM 0 HB3 GLU A 9 4.076 -22.855 11.885 1.00 43.40 H new ATOM 0 HG2 GLU A 9 2.658 -23.217 13.761 1.00 2.20 H new ATOM 0 HG3 GLU A 9 4.189 -23.981 14.138 1.00 2.20 H new ATOM 149 N TRP A 10 7.646 -23.492 13.920 1.00 4.22 N ATOM 150 CA TRP A 10 8.395 -24.693 14.306 1.00 34.34 C ATOM 151 C TRP A 10 7.964 -25.176 15.695 1.00 60.22 C ATOM 152 O TRP A 10 7.909 -24.391 16.647 1.00 51.03 O ATOM 153 CB TRP A 10 9.904 -24.402 14.297 1.00 33.50 C ATOM 154 CG TRP A 10 10.434 -24.000 12.950 1.00 23.20 C ATOM 155 CD1 TRP A 10 10.559 -22.730 12.462 1.00 34.20 C ATOM 156 CD2 TRP A 10 10.915 -24.874 11.920 1.00 12.31 C ATOM 157 NE1 TRP A 10 11.088 -22.760 11.195 1.00 45.20 N ATOM 158 CE2 TRP A 10 11.316 -24.064 10.840 1.00 41.21 C ATOM 159 CE3 TRP A 10 11.048 -26.262 11.808 1.00 11.33 C ATOM 160 CZ2 TRP A 10 11.836 -24.595 9.663 1.00 42.23 C ATOM 161 CZ3 TRP A 10 11.565 -26.789 10.638 1.00 25.34 C ATOM 162 CH2 TRP A 10 11.956 -25.957 9.581 1.00 23.54 C ATOM 0 H TRP A 10 8.054 -22.621 14.259 1.00 4.22 H new ATOM 0 HA TRP A 10 8.179 -25.479 13.583 1.00 34.34 H new ATOM 0 HB2 TRP A 10 10.116 -23.608 15.013 1.00 33.50 H new ATOM 0 HB3 TRP A 10 10.438 -25.289 14.638 1.00 33.50 H new ATOM 0 HD1 TRP A 10 10.282 -21.833 12.995 1.00 34.20 H new ATOM 0 HE1 TRP A 10 11.280 -21.945 10.613 1.00 45.20 H new ATOM 0 HE3 TRP A 10 10.753 -26.910 12.620 1.00 11.33 H new ATOM 0 HZ2 TRP A 10 12.134 -23.956 8.844 1.00 42.23 H new ATOM 0 HZ3 TRP A 10 11.669 -27.859 10.538 1.00 25.34 H new ATOM 0 HH2 TRP A 10 12.361 -26.399 8.682 1.00 23.54 H new ATOM 173 N MET A 11 7.662 -26.467 15.811 1.00 44.32 N ATOM 174 CA MET A 11 7.177 -27.040 17.074 1.00 75.41 C ATOM 175 C MET A 11 7.689 -28.470 17.285 1.00 51.10 C ATOM 176 O MET A 11 8.103 -29.143 16.340 1.00 1.23 O ATOM 177 CB MET A 11 5.644 -27.030 17.091 1.00 61.14 C ATOM 178 CG MET A 11 5.011 -27.844 15.969 1.00 71.33 C ATOM 179 SD MET A 11 3.218 -27.679 15.923 1.00 52.41 S ATOM 180 CE MET A 11 3.059 -25.914 15.674 1.00 22.31 C ATOM 0 H MET A 11 7.743 -27.140 15.049 1.00 44.32 H new ATOM 0 HA MET A 11 7.562 -26.426 17.888 1.00 75.41 H new ATOM 0 HB2 MET A 11 5.298 -27.419 18.049 1.00 61.14 H new ATOM 0 HB3 MET A 11 5.296 -25.999 17.021 1.00 61.14 H new ATOM 0 HG2 MET A 11 5.427 -27.524 15.013 1.00 71.33 H new ATOM 0 HG3 MET A 11 5.273 -28.895 16.095 1.00 71.33 H new ATOM 0 HE1 MET A 11 2.251 -25.717 14.969 1.00 22.31 H new ATOM 0 HE2 MET A 11 2.836 -25.431 16.625 1.00 22.31 H new ATOM 0 HE3 MET A 11 3.993 -25.517 15.275 1.00 22.31 H new ATOM 190 N VAL A 12 7.657 -28.930 18.530 1.00 61.32 N ATOM 191 CA VAL A 12 8.065 -30.296 18.858 1.00 5.21 C ATOM 192 C VAL A 12 7.013 -31.328 18.404 1.00 52.24 C ATOM 193 O VAL A 12 5.894 -30.973 18.022 1.00 55.22 O ATOM 194 CB VAL A 12 8.332 -30.455 20.378 1.00 31.35 C ATOM 195 CG1 VAL A 12 9.443 -29.510 20.836 1.00 21.42 C ATOM 196 CG2 VAL A 12 7.056 -30.223 21.187 1.00 75.53 C ATOM 0 H VAL A 12 7.353 -28.378 19.332 1.00 61.32 H new ATOM 0 HA VAL A 12 8.992 -30.486 18.316 1.00 5.21 H new ATOM 0 HB VAL A 12 8.661 -31.479 20.555 1.00 31.35 H new ATOM 0 HG11 VAL A 12 9.613 -29.639 21.905 1.00 21.42 H new ATOM 0 HG12 VAL A 12 10.360 -29.737 20.293 1.00 21.42 H new ATOM 0 HG13 VAL A 12 9.149 -28.479 20.637 1.00 21.42 H new ATOM 0 HG21 VAL A 12 7.272 -30.341 22.249 1.00 75.53 H new ATOM 0 HG22 VAL A 12 6.686 -29.215 21.002 1.00 75.53 H new ATOM 0 HG23 VAL A 12 6.299 -30.948 20.888 1.00 75.53 H new ATOM 206 N GLU A 13 7.375 -32.606 18.474 1.00 11.43 N ATOM 207 CA GLU A 13 6.523 -33.696 17.980 1.00 24.42 C ATOM 208 C GLU A 13 5.160 -33.740 18.695 1.00 52.11 C ATOM 209 O GLU A 13 4.107 -33.814 18.050 1.00 24.41 O ATOM 210 CB GLU A 13 7.257 -35.032 18.155 1.00 34.11 C ATOM 211 CG GLU A 13 6.504 -36.244 17.614 1.00 32.24 C ATOM 212 CD GLU A 13 7.349 -37.507 17.651 1.00 63.20 C ATOM 213 OE1 GLU A 13 8.170 -37.700 16.729 1.00 54.23 O ATOM 214 OE2 GLU A 13 7.214 -38.302 18.604 1.00 73.55 O ATOM 0 H GLU A 13 8.261 -32.919 18.871 1.00 11.43 H new ATOM 0 HA GLU A 13 6.323 -33.514 16.924 1.00 24.42 H new ATOM 0 HB2 GLU A 13 8.224 -34.969 17.656 1.00 34.11 H new ATOM 0 HB3 GLU A 13 7.455 -35.187 19.216 1.00 34.11 H new ATOM 0 HG2 GLU A 13 5.598 -36.398 18.200 1.00 32.24 H new ATOM 0 HG3 GLU A 13 6.191 -36.048 16.588 1.00 32.24 H new ATOM 221 N LYS A 14 5.182 -33.684 20.027 1.00 12.33 N ATOM 222 CA LYS A 14 3.949 -33.733 20.823 1.00 2.34 C ATOM 223 C LYS A 14 3.074 -32.492 20.567 1.00 13.00 C ATOM 224 O LYS A 14 1.852 -32.558 20.650 1.00 1.03 O ATOM 225 CB LYS A 14 4.292 -33.869 22.319 1.00 14.13 C ATOM 226 CG LYS A 14 3.149 -34.400 23.192 1.00 60.24 C ATOM 227 CD LYS A 14 2.187 -33.298 23.630 1.00 62.22 C ATOM 228 CE LYS A 14 2.853 -32.313 24.583 1.00 52.44 C ATOM 229 NZ LYS A 14 1.903 -31.281 25.074 1.00 50.01 N ATOM 0 H LYS A 14 6.036 -33.605 20.579 1.00 12.33 H new ATOM 0 HA LYS A 14 3.374 -34.607 20.517 1.00 2.34 H new ATOM 0 HB2 LYS A 14 5.149 -34.534 22.422 1.00 14.13 H new ATOM 0 HB3 LYS A 14 4.598 -32.894 22.698 1.00 14.13 H new ATOM 0 HG2 LYS A 14 2.598 -35.161 22.640 1.00 60.24 H new ATOM 0 HG3 LYS A 14 3.566 -34.886 24.074 1.00 60.24 H new ATOM 0 HD2 LYS A 14 1.821 -32.765 22.753 1.00 62.22 H new ATOM 0 HD3 LYS A 14 1.320 -33.744 24.116 1.00 62.22 H new ATOM 0 HE2 LYS A 14 3.269 -32.855 25.432 1.00 52.44 H new ATOM 0 HE3 LYS A 14 3.686 -31.826 24.076 1.00 52.44 H new ATOM 0 HZ1 LYS A 14 2.398 -30.632 25.719 1.00 50.01 H new ATOM 0 HZ2 LYS A 14 1.525 -30.745 24.267 1.00 50.01 H new ATOM 0 HZ3 LYS A 14 1.120 -31.742 25.580 1.00 50.01 H new ATOM 243 N ALA A 15 3.700 -31.365 20.240 1.00 64.23 N ATOM 244 CA ALA A 15 2.957 -30.140 19.922 1.00 52.34 C ATOM 245 C ALA A 15 2.292 -30.241 18.543 1.00 11.02 C ATOM 246 O ALA A 15 1.136 -29.849 18.365 1.00 12.23 O ATOM 247 CB ALA A 15 3.880 -28.929 19.979 1.00 75.24 C ATOM 0 H ALA A 15 4.714 -31.270 20.187 1.00 64.23 H new ATOM 0 HA ALA A 15 2.172 -30.018 20.668 1.00 52.34 H new ATOM 0 HB1 ALA A 15 3.314 -28.029 19.741 1.00 75.24 H new ATOM 0 HB2 ALA A 15 4.301 -28.839 20.981 1.00 75.24 H new ATOM 0 HB3 ALA A 15 4.687 -29.052 19.256 1.00 75.24 H new ATOM 253 N LEU A 16 3.027 -30.792 17.578 1.00 11.30 N ATOM 254 CA LEU A 16 2.534 -30.950 16.205 1.00 50.33 C ATOM 255 C LEU A 16 1.240 -31.787 16.170 1.00 3.11 C ATOM 256 O LEU A 16 0.270 -31.419 15.501 1.00 5.34 O ATOM 257 CB LEU A 16 3.639 -31.592 15.334 1.00 34.34 C ATOM 258 CG LEU A 16 3.417 -31.583 13.803 1.00 32.40 C ATOM 259 CD1 LEU A 16 2.391 -32.633 13.366 1.00 1.31 C ATOM 260 CD2 LEU A 16 3.003 -30.188 13.324 1.00 0.03 C ATOM 0 H LEU A 16 3.975 -31.140 17.721 1.00 11.30 H new ATOM 0 HA LEU A 16 2.290 -29.967 15.801 1.00 50.33 H new ATOM 0 HB2 LEU A 16 4.577 -31.079 15.544 1.00 34.34 H new ATOM 0 HB3 LEU A 16 3.764 -32.627 15.653 1.00 34.34 H new ATOM 0 HG LEU A 16 4.367 -31.844 13.336 1.00 32.40 H new ATOM 0 HD11 LEU A 16 2.266 -32.591 12.284 1.00 1.31 H new ATOM 0 HD12 LEU A 16 2.740 -33.625 13.653 1.00 1.31 H new ATOM 0 HD13 LEU A 16 1.435 -32.431 13.849 1.00 1.31 H new ATOM 0 HD21 LEU A 16 2.852 -30.204 12.245 1.00 0.03 H new ATOM 0 HD22 LEU A 16 2.076 -29.895 13.816 1.00 0.03 H new ATOM 0 HD23 LEU A 16 3.787 -29.471 13.570 1.00 0.03 H new ATOM 272 N MET A 17 1.228 -32.906 16.897 1.00 74.01 N ATOM 273 CA MET A 17 0.052 -33.786 16.933 1.00 22.41 C ATOM 274 C MET A 17 -1.177 -33.065 17.522 1.00 4.24 C ATOM 275 O MET A 17 -2.303 -33.283 17.078 1.00 13.30 O ATOM 276 CB MET A 17 0.357 -35.068 17.727 1.00 40.51 C ATOM 277 CG MET A 17 0.625 -34.840 19.207 1.00 42.33 C ATOM 278 SD MET A 17 1.005 -36.365 20.094 1.00 45.44 S ATOM 279 CE MET A 17 2.512 -36.875 19.267 1.00 22.32 C ATOM 0 H MET A 17 2.012 -33.225 17.466 1.00 74.01 H new ATOM 0 HA MET A 17 -0.185 -34.060 15.905 1.00 22.41 H new ATOM 0 HB2 MET A 17 -0.484 -35.754 17.624 1.00 40.51 H new ATOM 0 HB3 MET A 17 1.224 -35.558 17.284 1.00 40.51 H new ATOM 0 HG2 MET A 17 1.457 -34.144 19.318 1.00 42.33 H new ATOM 0 HG3 MET A 17 -0.247 -34.369 19.661 1.00 42.33 H new ATOM 0 HE1 MET A 17 3.141 -37.428 19.965 1.00 22.32 H new ATOM 0 HE2 MET A 17 2.264 -37.512 18.418 1.00 22.32 H new ATOM 0 HE3 MET A 17 3.049 -35.995 18.914 1.00 22.32 H new ATOM 289 N VAL A 18 -0.953 -32.192 18.507 1.00 31.10 N ATOM 290 CA VAL A 18 -2.044 -31.425 19.127 1.00 54.34 C ATOM 291 C VAL A 18 -2.565 -30.325 18.184 1.00 51.10 C ATOM 292 O VAL A 18 -3.771 -30.087 18.089 1.00 24.44 O ATOM 293 CB VAL A 18 -1.586 -30.784 20.465 1.00 2.22 C ATOM 294 CG1 VAL A 18 -2.710 -29.958 21.094 1.00 42.34 C ATOM 295 CG2 VAL A 18 -1.096 -31.860 21.435 1.00 0.21 C ATOM 0 H VAL A 18 -0.030 -31.997 18.894 1.00 31.10 H new ATOM 0 HA VAL A 18 -2.854 -32.127 19.327 1.00 54.34 H new ATOM 0 HB VAL A 18 -0.757 -30.110 20.250 1.00 2.22 H new ATOM 0 HG11 VAL A 18 -2.361 -29.521 22.030 1.00 42.34 H new ATOM 0 HG12 VAL A 18 -3.004 -29.162 20.409 1.00 42.34 H new ATOM 0 HG13 VAL A 18 -3.567 -30.601 21.292 1.00 42.34 H new ATOM 0 HG21 VAL A 18 -0.779 -31.392 22.367 1.00 0.21 H new ATOM 0 HG22 VAL A 18 -1.904 -32.562 21.638 1.00 0.21 H new ATOM 0 HG23 VAL A 18 -0.255 -32.393 20.992 1.00 0.21 H new ATOM 305 N ARG A 19 -1.643 -29.661 17.487 1.00 14.43 N ATOM 306 CA ARG A 19 -1.989 -28.607 16.520 1.00 42.34 C ATOM 307 C ARG A 19 -2.771 -29.162 15.315 1.00 13.13 C ATOM 308 O ARG A 19 -3.732 -28.549 14.850 1.00 52.11 O ATOM 309 CB ARG A 19 -0.708 -27.918 16.018 1.00 21.42 C ATOM 310 CG ARG A 19 0.043 -27.113 17.081 1.00 50.31 C ATOM 311 CD ARG A 19 -0.605 -25.755 17.355 1.00 41.45 C ATOM 312 NE ARG A 19 0.242 -24.911 18.204 1.00 72.11 N ATOM 313 CZ ARG A 19 0.856 -23.828 17.793 1.00 73.25 C ATOM 314 NH1 ARG A 19 0.671 -23.376 16.592 1.00 42.42 N ATOM 315 NH2 ARG A 19 1.630 -23.180 18.601 1.00 72.32 N ATOM 0 H ARG A 19 -0.641 -29.833 17.572 1.00 14.43 H new ATOM 0 HA ARG A 19 -2.628 -27.890 17.035 1.00 42.34 H new ATOM 0 HB2 ARG A 19 -0.037 -28.677 15.615 1.00 21.42 H new ATOM 0 HB3 ARG A 19 -0.968 -27.253 15.194 1.00 21.42 H new ATOM 0 HG2 ARG A 19 0.081 -27.687 18.007 1.00 50.31 H new ATOM 0 HG3 ARG A 19 1.073 -26.962 16.757 1.00 50.31 H new ATOM 0 HD2 ARG A 19 -0.796 -25.246 16.410 1.00 41.45 H new ATOM 0 HD3 ARG A 19 -1.571 -25.904 17.838 1.00 41.45 H new ATOM 0 HE ARG A 19 0.361 -25.185 19.179 1.00 72.11 H new ATOM 0 HH11 ARG A 19 0.042 -23.864 15.955 1.00 42.42 H new ATOM 0 HH12 ARG A 19 1.155 -22.532 16.284 1.00 42.42 H new ATOM 0 HH21 ARG A 19 1.762 -23.512 19.556 1.00 72.32 H new ATOM 0 HH22 ARG A 19 2.108 -22.337 18.283 1.00 72.32 H new ATOM 329 N THR A 20 -2.351 -30.323 14.815 1.00 0.02 N ATOM 330 CA THR A 20 -2.935 -30.899 13.590 1.00 32.32 C ATOM 331 C THR A 20 -4.075 -31.888 13.877 1.00 41.55 C ATOM 332 O THR A 20 -4.996 -32.036 13.072 1.00 72.24 O ATOM 333 CB THR A 20 -1.860 -31.633 12.758 1.00 75.41 C ATOM 334 OG1 THR A 20 -1.275 -32.690 13.539 1.00 70.54 O ATOM 335 CG2 THR A 20 -0.767 -30.672 12.300 1.00 44.34 C ATOM 0 H THR A 20 -1.611 -30.887 15.233 1.00 0.02 H new ATOM 0 HA THR A 20 -3.341 -30.054 13.034 1.00 32.32 H new ATOM 0 HB THR A 20 -2.343 -32.051 11.875 1.00 75.41 H new ATOM 0 HG1 THR A 20 -0.692 -32.305 14.226 1.00 70.54 H new ATOM 0 HG21 THR A 20 -0.025 -31.217 11.717 1.00 44.34 H new ATOM 0 HG22 THR A 20 -1.207 -29.887 11.685 1.00 44.34 H new ATOM 0 HG23 THR A 20 -0.288 -30.225 13.171 1.00 44.34 H new ATOM 343 N GLY A 21 -4.009 -32.567 15.017 1.00 53.43 N ATOM 344 CA GLY A 21 -5.002 -33.589 15.349 1.00 75.32 C ATOM 345 C GLY A 21 -4.478 -35.013 15.160 1.00 72.54 C ATOM 346 O GLY A 21 -5.166 -35.988 15.483 1.00 31.11 O ATOM 0 H GLY A 21 -3.286 -32.432 15.723 1.00 53.43 H new ATOM 0 HA2 GLY A 21 -5.318 -33.458 16.384 1.00 75.32 H new ATOM 0 HA3 GLY A 21 -5.885 -33.447 14.726 1.00 75.32 H new ATOM 350 N LEU A 22 -3.256 -35.130 14.640 1.00 51.20 N ATOM 351 CA LEU A 22 -2.612 -36.433 14.433 1.00 70.24 C ATOM 352 C LEU A 22 -2.097 -37.032 15.750 1.00 74.52 C ATOM 353 O LEU A 22 -2.254 -36.452 16.825 1.00 62.42 O ATOM 354 CB LEU A 22 -1.440 -36.301 13.440 1.00 51.11 C ATOM 355 CG LEU A 22 -1.818 -36.247 11.945 1.00 41.52 C ATOM 356 CD1 LEU A 22 -2.749 -35.076 11.644 1.00 32.12 C ATOM 357 CD2 LEU A 22 -0.564 -36.178 11.069 1.00 73.40 C ATOM 0 H LEU A 22 -2.687 -34.334 14.352 1.00 51.20 H new ATOM 0 HA LEU A 22 -3.368 -37.104 14.025 1.00 70.24 H new ATOM 0 HB2 LEU A 22 -0.883 -35.397 13.686 1.00 51.11 H new ATOM 0 HB3 LEU A 22 -0.765 -37.143 13.593 1.00 51.11 H new ATOM 0 HG LEU A 22 -2.354 -37.166 11.709 1.00 41.52 H new ATOM 0 HD11 LEU A 22 -2.994 -35.070 10.582 1.00 32.12 H new ATOM 0 HD12 LEU A 22 -3.664 -35.180 12.227 1.00 32.12 H new ATOM 0 HD13 LEU A 22 -2.255 -34.141 11.908 1.00 32.12 H new ATOM 0 HD21 LEU A 22 -0.855 -36.141 10.019 1.00 73.40 H new ATOM 0 HD22 LEU A 22 0.006 -35.283 11.319 1.00 73.40 H new ATOM 0 HD23 LEU A 22 0.051 -37.061 11.244 1.00 73.40 H new ATOM 369 N GLY A 23 -1.482 -38.207 15.646 1.00 34.03 N ATOM 370 CA GLY A 23 -0.855 -38.851 16.794 1.00 23.43 C ATOM 371 C GLY A 23 0.558 -39.342 16.482 1.00 71.24 C ATOM 372 O GLY A 23 0.959 -39.395 15.318 1.00 22.42 O ATOM 0 H GLY A 23 -1.405 -38.733 14.775 1.00 34.03 H new ATOM 0 HA2 GLY A 23 -0.818 -38.149 17.627 1.00 23.43 H new ATOM 0 HA3 GLY A 23 -1.468 -39.693 17.115 1.00 23.43 H new ATOM 376 N ALA A 24 1.300 -39.727 17.519 1.00 72.05 N ATOM 377 CA ALA A 24 2.712 -40.121 17.375 1.00 30.32 C ATOM 378 C ALA A 24 2.916 -41.221 16.319 1.00 70.00 C ATOM 379 O ALA A 24 3.789 -41.113 15.454 1.00 2.45 O ATOM 380 CB ALA A 24 3.260 -40.578 18.724 1.00 35.33 C ATOM 0 H ALA A 24 0.950 -39.777 18.476 1.00 72.05 H new ATOM 0 HA ALA A 24 3.260 -39.245 17.029 1.00 30.32 H new ATOM 0 HB1 ALA A 24 4.305 -40.869 18.613 1.00 35.33 H new ATOM 0 HB2 ALA A 24 3.185 -39.762 19.443 1.00 35.33 H new ATOM 0 HB3 ALA A 24 2.682 -41.430 19.081 1.00 35.33 H new ATOM 386 N ARG A 25 2.091 -42.264 16.377 1.00 51.11 N ATOM 387 CA ARG A 25 2.247 -43.427 15.496 1.00 31.33 C ATOM 388 C ARG A 25 1.810 -43.137 14.051 1.00 42.33 C ATOM 389 O ARG A 25 2.174 -43.870 13.128 1.00 54.51 O ATOM 390 CB ARG A 25 1.491 -44.628 16.074 1.00 51.21 C ATOM 391 CG ARG A 25 2.102 -45.127 17.379 1.00 24.21 C ATOM 392 CD ARG A 25 1.348 -46.315 17.964 1.00 24.21 C ATOM 393 NE ARG A 25 2.053 -46.880 19.117 1.00 21.42 N ATOM 394 CZ ARG A 25 1.466 -47.468 20.126 1.00 2.44 C ATOM 395 NH1 ARG A 25 0.179 -47.578 20.164 1.00 2.23 N ATOM 396 NH2 ARG A 25 2.173 -47.945 21.099 1.00 51.31 N ATOM 0 H ARG A 25 1.306 -42.331 17.024 1.00 51.11 H new ATOM 0 HA ARG A 25 3.310 -43.664 15.451 1.00 31.33 H new ATOM 0 HB2 ARG A 25 0.451 -44.351 16.246 1.00 51.21 H new ATOM 0 HB3 ARG A 25 1.489 -45.438 15.344 1.00 51.21 H new ATOM 0 HG2 ARG A 25 3.140 -45.411 17.205 1.00 24.21 H new ATOM 0 HG3 ARG A 25 2.111 -44.314 18.105 1.00 24.21 H new ATOM 0 HD2 ARG A 25 0.348 -46.001 18.265 1.00 24.21 H new ATOM 0 HD3 ARG A 25 1.225 -47.082 17.199 1.00 24.21 H new ATOM 0 HE ARG A 25 3.070 -46.810 19.134 1.00 21.42 H new ATOM 0 HH11 ARG A 25 -0.387 -47.204 19.402 1.00 2.23 H new ATOM 0 HH12 ARG A 25 -0.270 -48.038 20.955 1.00 2.23 H new ATOM 0 HH21 ARG A 25 3.189 -47.862 21.079 1.00 51.31 H new ATOM 0 HH22 ARG A 25 1.714 -48.404 21.886 1.00 51.31 H new ATOM 410 N GLN A 26 1.024 -42.084 13.849 1.00 71.41 N ATOM 411 CA GLN A 26 0.685 -41.645 12.492 1.00 23.23 C ATOM 412 C GLN A 26 1.783 -40.728 11.927 1.00 21.25 C ATOM 413 O GLN A 26 2.117 -40.796 10.742 1.00 52.42 O ATOM 414 CB GLN A 26 -0.673 -40.933 12.461 1.00 54.40 C ATOM 415 CG GLN A 26 -1.146 -40.605 11.048 1.00 51.32 C ATOM 416 CD GLN A 26 -2.553 -40.032 10.990 1.00 24.21 C ATOM 417 OE1 GLN A 26 -2.963 -39.323 12.019 1.00 54.01 O flip ATOM 418 NE2 GLN A 26 -3.270 -40.231 10.017 1.00 44.53 N flip ATOM 0 H GLN A 26 0.612 -41.523 14.594 1.00 71.41 H new ATOM 0 HA GLN A 26 0.615 -42.533 11.864 1.00 23.23 H new ATOM 0 HB2 GLN A 26 -1.417 -41.562 12.950 1.00 54.40 H new ATOM 0 HB3 GLN A 26 -0.606 -40.011 13.038 1.00 54.40 H new ATOM 0 HG2 GLN A 26 -0.454 -39.892 10.600 1.00 51.32 H new ATOM 0 HG3 GLN A 26 -1.107 -41.510 10.442 1.00 51.32 H new ATOM 0 HE21 GLN A 26 -2.924 -40.785 9.234 1.00 44.53 H new ATOM 0 HE22 GLN A 26 -4.213 -39.843 9.990 1.00 44.53 H new ATOM 427 N ILE A 27 2.352 -39.880 12.784 1.00 55.43 N ATOM 428 CA ILE A 27 3.444 -38.991 12.375 1.00 72.53 C ATOM 429 C ILE A 27 4.687 -39.796 11.955 1.00 11.21 C ATOM 430 O ILE A 27 5.239 -39.580 10.872 1.00 72.22 O ATOM 431 CB ILE A 27 3.830 -37.992 13.500 1.00 23.30 C ATOM 432 CG1 ILE A 27 2.616 -37.131 13.896 1.00 44.14 C ATOM 433 CG2 ILE A 27 4.998 -37.107 13.058 1.00 25.05 C ATOM 434 CD1 ILE A 27 2.898 -36.163 15.029 1.00 65.24 C ATOM 0 H ILE A 27 2.078 -39.789 13.762 1.00 55.43 H new ATOM 0 HA ILE A 27 3.080 -38.422 11.520 1.00 72.53 H new ATOM 0 HB ILE A 27 4.146 -38.563 14.373 1.00 23.30 H new ATOM 0 HG12 ILE A 27 2.281 -36.569 13.024 1.00 44.14 H new ATOM 0 HG13 ILE A 27 1.796 -37.787 14.186 1.00 44.14 H new ATOM 0 HG21 ILE A 27 5.253 -36.414 13.860 1.00 25.05 H new ATOM 0 HG22 ILE A 27 5.862 -37.732 12.829 1.00 25.05 H new ATOM 0 HG23 ILE A 27 4.712 -36.544 12.169 1.00 25.05 H new ATOM 0 HD11 ILE A 27 1.997 -35.592 15.252 1.00 65.24 H new ATOM 0 HD12 ILE A 27 3.204 -36.719 15.915 1.00 65.24 H new ATOM 0 HD13 ILE A 27 3.696 -35.482 14.735 1.00 65.24 H new ATOM 446 N GLU A 28 5.113 -40.739 12.802 1.00 12.43 N ATOM 447 CA GLU A 28 6.269 -41.592 12.485 1.00 4.43 C ATOM 448 C GLU A 28 6.023 -42.394 11.197 1.00 63.21 C ATOM 449 O GLU A 28 6.954 -42.695 10.445 1.00 75.10 O ATOM 450 CB GLU A 28 6.593 -42.543 13.650 1.00 32.11 C ATOM 451 CG GLU A 28 5.553 -43.635 13.880 1.00 3.34 C ATOM 452 CD GLU A 28 5.984 -44.643 14.936 1.00 4.25 C ATOM 453 OE1 GLU A 28 6.816 -45.520 14.619 1.00 61.51 O ATOM 454 OE2 GLU A 28 5.509 -44.555 16.088 1.00 30.21 O ATOM 0 H GLU A 28 4.681 -40.932 13.705 1.00 12.43 H new ATOM 0 HA GLU A 28 7.127 -40.938 12.328 1.00 4.43 H new ATOM 0 HB2 GLU A 28 7.559 -43.012 13.462 1.00 32.11 H new ATOM 0 HB3 GLU A 28 6.695 -41.957 14.564 1.00 32.11 H new ATOM 0 HG2 GLU A 28 4.612 -43.177 14.184 1.00 3.34 H new ATOM 0 HG3 GLU A 28 5.365 -44.156 12.941 1.00 3.34 H new ATOM 461 N SER A 29 4.757 -42.726 10.945 1.00 12.10 N ATOM 462 CA SER A 29 4.363 -43.396 9.700 1.00 74.41 C ATOM 463 C SER A 29 4.685 -42.513 8.490 1.00 74.24 C ATOM 464 O SER A 29 5.331 -42.951 7.545 1.00 4.10 O ATOM 465 CB SER A 29 2.866 -43.733 9.716 1.00 14.12 C ATOM 466 OG SER A 29 2.475 -44.410 8.530 1.00 40.31 O ATOM 0 H SER A 29 3.984 -42.543 11.585 1.00 12.10 H new ATOM 0 HA SER A 29 4.930 -44.324 9.621 1.00 74.41 H new ATOM 0 HB2 SER A 29 2.641 -44.354 10.583 1.00 14.12 H new ATOM 0 HB3 SER A 29 2.286 -42.816 9.822 1.00 14.12 H new ATOM 0 HG SER A 29 1.517 -44.613 8.570 1.00 40.31 H new ATOM 472 N TYR A 30 4.256 -41.253 8.538 1.00 72.54 N ATOM 473 CA TYR A 30 4.549 -40.294 7.464 1.00 74.14 C ATOM 474 C TYR A 30 6.053 -39.977 7.370 1.00 45.04 C ATOM 475 O TYR A 30 6.547 -39.571 6.316 1.00 71.32 O ATOM 476 CB TYR A 30 3.754 -39.000 7.670 1.00 1.34 C ATOM 477 CG TYR A 30 2.271 -39.136 7.371 1.00 53.22 C ATOM 478 CD1 TYR A 30 1.839 -39.600 6.132 1.00 52.54 C ATOM 479 CD2 TYR A 30 1.307 -38.801 8.317 1.00 70.25 C ATOM 480 CE1 TYR A 30 0.496 -39.727 5.846 1.00 34.22 C ATOM 481 CE2 TYR A 30 -0.042 -38.926 8.034 1.00 11.32 C ATOM 482 CZ TYR A 30 -0.440 -39.388 6.796 1.00 45.41 C ATOM 483 OH TYR A 30 -1.782 -39.518 6.506 1.00 61.23 O ATOM 0 H TYR A 30 3.705 -40.869 9.306 1.00 72.54 H new ATOM 0 HA TYR A 30 4.247 -40.758 6.525 1.00 74.14 H new ATOM 0 HB2 TYR A 30 3.878 -38.669 8.701 1.00 1.34 H new ATOM 0 HB3 TYR A 30 4.174 -38.222 7.033 1.00 1.34 H new ATOM 0 HD1 TYR A 30 2.569 -39.865 5.381 1.00 52.54 H new ATOM 0 HD2 TYR A 30 1.616 -38.438 9.286 1.00 70.25 H new ATOM 0 HE1 TYR A 30 0.180 -40.091 4.880 1.00 34.22 H new ATOM 0 HE2 TYR A 30 -0.779 -38.663 8.778 1.00 11.32 H new ATOM 0 HH TYR A 30 -2.313 -39.239 7.281 1.00 61.23 H new ATOM 493 N ARG A 31 6.779 -40.167 8.470 1.00 4.14 N ATOM 494 CA ARG A 31 8.233 -39.947 8.497 1.00 21.54 C ATOM 495 C ARG A 31 9.001 -40.916 7.576 1.00 10.12 C ATOM 496 O ARG A 31 10.205 -40.759 7.369 1.00 42.24 O ATOM 497 CB ARG A 31 8.769 -40.038 9.936 1.00 12.05 C ATOM 498 CG ARG A 31 8.466 -38.807 10.789 1.00 4.32 C ATOM 499 CD ARG A 31 8.966 -38.961 12.227 1.00 64.23 C ATOM 500 NE ARG A 31 10.365 -39.393 12.288 1.00 12.01 N ATOM 501 CZ ARG A 31 11.269 -38.877 13.080 1.00 51.21 C ATOM 502 NH1 ARG A 31 10.986 -37.885 13.861 1.00 71.04 N ATOM 503 NH2 ARG A 31 12.466 -39.359 13.092 1.00 44.02 N ATOM 0 H ARG A 31 6.387 -40.474 9.360 1.00 4.14 H new ATOM 0 HA ARG A 31 8.404 -38.941 8.113 1.00 21.54 H new ATOM 0 HB2 ARG A 31 8.340 -40.916 10.418 1.00 12.05 H new ATOM 0 HB3 ARG A 31 9.848 -40.188 9.902 1.00 12.05 H new ATOM 0 HG2 ARG A 31 8.931 -37.931 10.337 1.00 4.32 H new ATOM 0 HG3 ARG A 31 7.391 -38.629 10.797 1.00 4.32 H new ATOM 0 HD2 ARG A 31 8.859 -38.011 12.750 1.00 64.23 H new ATOM 0 HD3 ARG A 31 8.342 -39.685 12.750 1.00 64.23 H new ATOM 0 HE ARG A 31 10.654 -40.150 11.669 1.00 12.01 H new ATOM 0 HH11 ARG A 31 10.045 -37.492 13.866 1.00 71.04 H new ATOM 0 HH12 ARG A 31 11.704 -37.496 14.472 1.00 71.04 H new ATOM 0 HH21 ARG A 31 12.707 -40.142 12.484 1.00 44.02 H new ATOM 0 HH22 ARG A 31 13.171 -38.957 13.709 1.00 44.02 H new ATOM 517 N GLN A 32 8.312 -41.931 7.046 1.00 74.03 N ATOM 518 CA GLN A 32 8.931 -42.881 6.107 1.00 32.55 C ATOM 519 C GLN A 32 9.216 -42.233 4.735 1.00 73.33 C ATOM 520 O GLN A 32 10.070 -42.709 3.985 1.00 72.42 O ATOM 521 CB GLN A 32 8.025 -44.108 5.913 1.00 44.24 C ATOM 522 CG GLN A 32 6.745 -43.816 5.133 1.00 72.44 C ATOM 523 CD GLN A 32 5.828 -45.024 5.018 1.00 11.32 C ATOM 524 OE1 GLN A 32 6.279 -46.166 4.982 1.00 25.00 O ATOM 525 NE2 GLN A 32 4.534 -44.787 4.959 1.00 72.51 N ATOM 0 H GLN A 32 7.330 -42.118 7.248 1.00 74.03 H new ATOM 0 HA GLN A 32 9.882 -43.189 6.542 1.00 32.55 H new ATOM 0 HB2 GLN A 32 8.587 -44.883 5.392 1.00 44.24 H new ATOM 0 HB3 GLN A 32 7.759 -44.509 6.891 1.00 44.24 H new ATOM 0 HG2 GLN A 32 6.206 -43.004 5.621 1.00 72.44 H new ATOM 0 HG3 GLN A 32 7.007 -43.470 4.133 1.00 72.44 H new ATOM 0 HE21 GLN A 32 4.189 -43.828 4.991 1.00 72.51 H new ATOM 0 HE22 GLN A 32 3.876 -45.563 4.881 1.00 72.51 H new ATOM 534 N GLY A 33 8.503 -41.150 4.413 1.00 21.34 N ATOM 535 CA GLY A 33 8.664 -40.509 3.107 1.00 33.42 C ATOM 536 C GLY A 33 8.031 -39.122 3.014 1.00 71.45 C ATOM 537 O GLY A 33 8.629 -38.197 2.461 1.00 11.41 O ATOM 0 H GLY A 33 7.820 -40.706 5.027 1.00 21.34 H new ATOM 0 HA2 GLY A 33 9.727 -40.428 2.882 1.00 33.42 H new ATOM 0 HA3 GLY A 33 8.225 -41.150 2.342 1.00 33.42 H new ATOM 541 N ALA A 34 6.814 -38.977 3.541 1.00 63.01 N ATOM 542 CA ALA A 34 6.093 -37.697 3.494 1.00 12.31 C ATOM 543 C ALA A 34 6.851 -36.577 4.234 1.00 24.45 C ATOM 544 O ALA A 34 7.017 -35.470 3.710 1.00 60.34 O ATOM 545 CB ALA A 34 4.690 -37.864 4.069 1.00 54.30 C ATOM 0 H ALA A 34 6.304 -39.728 4.006 1.00 63.01 H new ATOM 0 HA ALA A 34 6.020 -37.398 2.448 1.00 12.31 H new ATOM 0 HB1 ALA A 34 4.165 -36.910 4.029 1.00 54.30 H new ATOM 0 HB2 ALA A 34 4.143 -38.604 3.485 1.00 54.30 H new ATOM 0 HB3 ALA A 34 4.758 -38.198 5.104 1.00 54.30 H new ATOM 551 N TRP A 35 7.286 -36.856 5.461 1.00 41.52 N ATOM 552 CA TRP A 35 8.103 -35.904 6.223 1.00 53.35 C ATOM 553 C TRP A 35 9.537 -35.879 5.677 1.00 51.14 C ATOM 554 O TRP A 35 10.317 -36.801 5.906 1.00 73.22 O ATOM 555 CB TRP A 35 8.136 -36.276 7.718 1.00 41.43 C ATOM 556 CG TRP A 35 6.938 -35.871 8.544 1.00 35.41 C ATOM 557 CD1 TRP A 35 6.955 -35.608 9.880 1.00 11.34 C ATOM 558 CD2 TRP A 35 5.575 -35.685 8.125 1.00 3.13 C ATOM 559 NE1 TRP A 35 5.700 -35.281 10.320 1.00 13.42 N ATOM 560 CE2 TRP A 35 4.836 -35.318 9.266 1.00 64.04 C ATOM 561 CE3 TRP A 35 4.906 -35.791 6.906 1.00 10.41 C ATOM 562 CZ2 TRP A 35 3.470 -35.060 9.223 1.00 55.15 C ATOM 563 CZ3 TRP A 35 3.550 -35.533 6.861 1.00 62.20 C ATOM 564 CH2 TRP A 35 2.843 -35.170 8.013 1.00 22.30 C ATOM 0 H TRP A 35 7.089 -37.729 5.950 1.00 41.52 H new ATOM 0 HA TRP A 35 7.652 -34.917 6.115 1.00 53.35 H new ATOM 0 HB2 TRP A 35 8.254 -37.357 7.797 1.00 41.43 H new ATOM 0 HB3 TRP A 35 9.024 -35.825 8.162 1.00 41.43 H new ATOM 0 HD1 TRP A 35 7.835 -35.651 10.505 1.00 11.34 H new ATOM 0 HE1 TRP A 35 5.452 -35.047 11.281 1.00 13.42 H new ATOM 0 HE3 TRP A 35 5.441 -36.071 6.010 1.00 10.41 H new ATOM 0 HZ2 TRP A 35 2.924 -34.783 10.113 1.00 55.15 H new ATOM 0 HZ3 TRP A 35 3.026 -35.613 5.920 1.00 62.20 H new ATOM 0 HH2 TRP A 35 1.783 -34.973 7.945 1.00 22.30 H new ATOM 575 N ILE A 36 9.869 -34.829 4.940 1.00 52.21 N ATOM 576 CA ILE A 36 11.224 -34.648 4.417 1.00 43.14 C ATOM 577 C ILE A 36 12.108 -33.909 5.433 1.00 12.25 C ATOM 578 O ILE A 36 11.735 -32.836 5.919 1.00 31.55 O ATOM 579 CB ILE A 36 11.200 -33.857 3.085 1.00 2.22 C ATOM 580 CG1 ILE A 36 10.240 -34.527 2.085 1.00 72.41 C ATOM 581 CG2 ILE A 36 12.608 -33.749 2.496 1.00 41.51 C ATOM 582 CD1 ILE A 36 10.077 -33.763 0.788 1.00 42.31 C ATOM 0 H ILE A 36 9.219 -34.085 4.688 1.00 52.21 H new ATOM 0 HA ILE A 36 11.641 -35.638 4.236 1.00 43.14 H new ATOM 0 HB ILE A 36 10.840 -32.848 3.286 1.00 2.22 H new ATOM 0 HG12 ILE A 36 10.605 -35.530 1.862 1.00 72.41 H new ATOM 0 HG13 ILE A 36 9.263 -34.640 2.554 1.00 72.41 H new ATOM 0 HG21 ILE A 36 12.569 -33.190 1.561 1.00 41.51 H new ATOM 0 HG22 ILE A 36 13.259 -33.232 3.201 1.00 41.51 H new ATOM 0 HG23 ILE A 36 13.000 -34.748 2.306 1.00 41.51 H new ATOM 0 HD11 ILE A 36 9.386 -34.297 0.135 1.00 42.31 H new ATOM 0 HD12 ILE A 36 9.682 -32.769 0.998 1.00 42.31 H new ATOM 0 HD13 ILE A 36 11.045 -33.672 0.295 1.00 42.31 H new ATOM 594 N GLU A 37 13.269 -34.481 5.757 1.00 70.00 N ATOM 595 CA GLU A 37 14.194 -33.858 6.716 1.00 61.44 C ATOM 596 C GLU A 37 14.615 -32.455 6.247 1.00 22.42 C ATOM 597 O GLU A 37 14.673 -32.178 5.046 1.00 73.43 O ATOM 598 CB GLU A 37 15.437 -34.737 6.933 1.00 45.44 C ATOM 599 CG GLU A 37 16.351 -34.835 5.715 1.00 62.13 C ATOM 600 CD GLU A 37 17.593 -35.676 5.970 1.00 73.33 C ATOM 601 OE1 GLU A 37 18.452 -35.248 6.767 1.00 0.32 O ATOM 602 OE2 GLU A 37 17.723 -36.763 5.369 1.00 73.41 O ATOM 0 H GLU A 37 13.593 -35.369 5.374 1.00 70.00 H new ATOM 0 HA GLU A 37 13.667 -33.761 7.665 1.00 61.44 H new ATOM 0 HB2 GLU A 37 16.008 -34.339 7.772 1.00 45.44 H new ATOM 0 HB3 GLU A 37 15.115 -35.740 7.214 1.00 45.44 H new ATOM 0 HG2 GLU A 37 15.793 -35.264 4.883 1.00 62.13 H new ATOM 0 HG3 GLU A 37 16.654 -33.832 5.413 1.00 62.13 H new ATOM 609 N GLY A 38 14.884 -31.566 7.197 1.00 21.31 N ATOM 610 CA GLY A 38 15.217 -30.185 6.866 1.00 64.23 C ATOM 611 C GLY A 38 13.992 -29.343 6.511 1.00 51.15 C ATOM 612 O GLY A 38 13.800 -28.252 7.048 1.00 51.20 O ATOM 0 H GLY A 38 14.878 -31.774 8.195 1.00 21.31 H new ATOM 0 HA2 GLY A 38 15.732 -29.729 7.712 1.00 64.23 H new ATOM 0 HA3 GLY A 38 15.913 -30.176 6.027 1.00 64.23 H new ATOM 616 N VAL A 39 13.159 -29.855 5.604 1.00 42.31 N ATOM 617 CA VAL A 39 11.968 -29.134 5.139 1.00 31.41 C ATOM 618 C VAL A 39 10.782 -29.275 6.118 1.00 62.02 C ATOM 619 O VAL A 39 10.293 -28.286 6.663 1.00 64.34 O ATOM 620 CB VAL A 39 11.531 -29.640 3.740 1.00 73.15 C ATOM 621 CG1 VAL A 39 10.377 -28.807 3.187 1.00 1.22 C ATOM 622 CG2 VAL A 39 12.711 -29.649 2.769 1.00 35.13 C ATOM 0 H VAL A 39 13.286 -30.771 5.173 1.00 42.31 H new ATOM 0 HA VAL A 39 12.244 -28.081 5.083 1.00 31.41 H new ATOM 0 HB VAL A 39 11.178 -30.665 3.853 1.00 73.15 H new ATOM 0 HG11 VAL A 39 10.093 -29.186 2.205 1.00 1.22 H new ATOM 0 HG12 VAL A 39 9.524 -28.873 3.862 1.00 1.22 H new ATOM 0 HG13 VAL A 39 10.689 -27.766 3.098 1.00 1.22 H new ATOM 0 HG21 VAL A 39 12.378 -30.008 1.795 1.00 35.13 H new ATOM 0 HG22 VAL A 39 13.106 -28.638 2.668 1.00 35.13 H new ATOM 0 HG23 VAL A 39 13.491 -30.307 3.151 1.00 35.13 H new ATOM 632 N HIS A 40 10.316 -30.511 6.330 1.00 42.11 N ATOM 633 CA HIS A 40 9.163 -30.767 7.213 1.00 62.22 C ATOM 634 C HIS A 40 9.595 -30.994 8.675 1.00 72.31 C ATOM 635 O HIS A 40 8.791 -30.839 9.591 1.00 41.41 O ATOM 636 CB HIS A 40 8.347 -31.967 6.705 1.00 12.05 C ATOM 637 CG HIS A 40 7.575 -31.685 5.447 1.00 65.20 C ATOM 638 ND1 HIS A 40 8.113 -31.033 4.358 1.00 3.41 N ATOM 639 CD2 HIS A 40 6.291 -31.966 5.113 1.00 52.53 C ATOM 640 CE1 HIS A 40 7.198 -30.925 3.414 1.00 54.22 C ATOM 641 NE2 HIS A 40 6.085 -31.483 3.842 1.00 23.43 N ATOM 0 H HIS A 40 10.715 -31.349 5.906 1.00 42.11 H new ATOM 0 HA HIS A 40 8.535 -29.876 7.190 1.00 62.22 H new ATOM 0 HB2 HIS A 40 9.022 -32.804 6.526 1.00 12.05 H new ATOM 0 HB3 HIS A 40 7.652 -32.279 7.485 1.00 12.05 H new ATOM 0 HD2 HIS A 40 5.565 -32.475 5.730 1.00 52.53 H new ATOM 0 HE1 HIS A 40 7.338 -30.457 2.451 1.00 54.22 H new ATOM 0 HE2 HIS A 40 5.213 -31.547 3.317 1.00 23.43 H new ATOM 650 N PHE A 41 10.854 -31.381 8.878 1.00 64.03 N ATOM 651 CA PHE A 41 11.436 -31.481 10.229 1.00 43.11 C ATOM 652 C PHE A 41 12.971 -31.458 10.161 1.00 53.12 C ATOM 653 O PHE A 41 13.579 -32.231 9.421 1.00 75.53 O ATOM 654 CB PHE A 41 10.954 -32.751 10.965 1.00 62.25 C ATOM 655 CG PHE A 41 11.468 -34.055 10.393 1.00 51.10 C ATOM 656 CD1 PHE A 41 11.057 -34.499 9.145 1.00 73.10 C ATOM 657 CD2 PHE A 41 12.361 -34.839 11.113 1.00 21.41 C ATOM 658 CE1 PHE A 41 11.528 -35.691 8.629 1.00 35.01 C ATOM 659 CE2 PHE A 41 12.832 -36.032 10.599 1.00 51.13 C ATOM 660 CZ PHE A 41 12.415 -36.458 9.355 1.00 54.13 C ATOM 0 H PHE A 41 11.497 -31.632 8.127 1.00 64.03 H new ATOM 0 HA PHE A 41 11.094 -30.615 10.796 1.00 43.11 H new ATOM 0 HB2 PHE A 41 11.258 -32.685 12.010 1.00 62.25 H new ATOM 0 HB3 PHE A 41 9.864 -32.770 10.951 1.00 62.25 H new ATOM 0 HD1 PHE A 41 10.361 -33.906 8.570 1.00 73.10 H new ATOM 0 HD2 PHE A 41 12.691 -34.511 12.088 1.00 21.41 H new ATOM 0 HE1 PHE A 41 11.201 -36.023 7.655 1.00 35.01 H new ATOM 0 HE2 PHE A 41 13.526 -36.630 11.171 1.00 51.13 H new ATOM 0 HZ PHE A 41 12.782 -37.390 8.951 1.00 54.13 H new ATOM 670 N LYS A 42 13.600 -30.566 10.924 1.00 3.45 N ATOM 671 CA LYS A 42 15.064 -30.445 10.909 1.00 53.13 C ATOM 672 C LYS A 42 15.666 -30.658 12.303 1.00 71.42 C ATOM 673 O LYS A 42 15.082 -30.263 13.314 1.00 33.13 O ATOM 674 CB LYS A 42 15.494 -29.076 10.359 1.00 21.54 C ATOM 675 CG LYS A 42 15.070 -27.890 11.219 1.00 45.52 C ATOM 676 CD LYS A 42 15.634 -26.578 10.676 1.00 41.44 C ATOM 677 CE LYS A 42 15.281 -25.390 11.564 1.00 71.42 C ATOM 678 NZ LYS A 42 15.899 -24.130 11.067 1.00 4.01 N ATOM 0 H LYS A 42 13.128 -29.920 11.556 1.00 3.45 H new ATOM 0 HA LYS A 42 15.443 -31.228 10.252 1.00 53.13 H new ATOM 0 HB2 LYS A 42 16.579 -29.064 10.255 1.00 21.54 H new ATOM 0 HB3 LYS A 42 15.077 -28.952 9.360 1.00 21.54 H new ATOM 0 HG2 LYS A 42 13.982 -27.834 11.253 1.00 45.52 H new ATOM 0 HG3 LYS A 42 15.414 -28.040 12.243 1.00 45.52 H new ATOM 0 HD2 LYS A 42 16.718 -26.657 10.592 1.00 41.44 H new ATOM 0 HD3 LYS A 42 15.248 -26.406 9.671 1.00 41.44 H new ATOM 0 HE2 LYS A 42 14.198 -25.274 11.603 1.00 71.42 H new ATOM 0 HE3 LYS A 42 15.618 -25.584 12.582 1.00 71.42 H new ATOM 0 HZ1 LYS A 42 15.637 -23.344 11.695 1.00 4.01 H new ATOM 0 HZ2 LYS A 42 16.934 -24.233 11.053 1.00 4.01 H new ATOM 0 HZ3 LYS A 42 15.558 -23.932 10.105 1.00 4.01 H new ATOM 692 N ARG A 43 16.849 -31.269 12.347 1.00 41.42 N ATOM 693 CA ARG A 43 17.530 -31.546 13.617 1.00 2.30 C ATOM 694 C ARG A 43 18.109 -30.261 14.225 1.00 40.34 C ATOM 695 O ARG A 43 19.142 -29.756 13.779 1.00 71.35 O ATOM 696 CB ARG A 43 18.652 -32.575 13.409 1.00 0.53 C ATOM 697 CG ARG A 43 18.175 -33.921 12.862 1.00 1.31 C ATOM 698 CD ARG A 43 19.350 -34.849 12.558 1.00 61.45 C ATOM 699 NE ARG A 43 20.272 -34.248 11.590 1.00 14.22 N ATOM 700 CZ ARG A 43 21.568 -34.173 11.746 1.00 71.20 C ATOM 701 NH1 ARG A 43 22.151 -34.738 12.753 1.00 55.23 N ATOM 702 NH2 ARG A 43 22.285 -33.548 10.873 1.00 65.33 N ATOM 0 H ARG A 43 17.358 -31.583 11.520 1.00 41.42 H new ATOM 0 HA ARG A 43 16.793 -31.954 14.309 1.00 2.30 H new ATOM 0 HB2 ARG A 43 19.390 -32.158 12.724 1.00 0.53 H new ATOM 0 HB3 ARG A 43 19.158 -32.741 14.360 1.00 0.53 H new ATOM 0 HG2 ARG A 43 17.513 -34.396 13.586 1.00 1.31 H new ATOM 0 HG3 ARG A 43 17.592 -33.761 11.955 1.00 1.31 H new ATOM 0 HD2 ARG A 43 19.885 -35.074 13.480 1.00 61.45 H new ATOM 0 HD3 ARG A 43 18.976 -35.795 12.167 1.00 61.45 H new ATOM 0 HE ARG A 43 19.874 -33.861 10.734 1.00 14.22 H new ATOM 0 HH11 ARG A 43 21.599 -35.251 13.440 1.00 55.23 H new ATOM 0 HH12 ARG A 43 23.163 -34.670 12.860 1.00 55.23 H new ATOM 0 HH21 ARG A 43 21.840 -33.114 10.064 1.00 65.33 H new ATOM 0 HH22 ARG A 43 23.296 -33.488 10.992 1.00 65.33 H new ATOM 716 N VAL A 44 17.434 -29.734 15.240 1.00 11.34 N ATOM 717 CA VAL A 44 17.869 -28.510 15.913 1.00 24.34 C ATOM 718 C VAL A 44 18.676 -28.832 17.179 1.00 72.43 C ATOM 719 O VAL A 44 18.117 -29.174 18.223 1.00 34.02 O ATOM 720 CB VAL A 44 16.659 -27.612 16.283 1.00 40.23 C ATOM 721 CG1 VAL A 44 17.115 -26.322 16.967 1.00 52.24 C ATOM 722 CG2 VAL A 44 15.821 -27.305 15.041 1.00 2.22 C ATOM 0 H VAL A 44 16.577 -30.137 15.619 1.00 11.34 H new ATOM 0 HA VAL A 44 18.508 -27.969 15.215 1.00 24.34 H new ATOM 0 HB VAL A 44 16.037 -28.158 16.992 1.00 40.23 H new ATOM 0 HG11 VAL A 44 16.245 -25.714 17.214 1.00 52.24 H new ATOM 0 HG12 VAL A 44 17.658 -26.567 17.880 1.00 52.24 H new ATOM 0 HG13 VAL A 44 17.768 -25.765 16.295 1.00 52.24 H new ATOM 0 HG21 VAL A 44 14.977 -26.674 15.319 1.00 2.22 H new ATOM 0 HG22 VAL A 44 16.436 -26.785 14.306 1.00 2.22 H new ATOM 0 HG23 VAL A 44 15.452 -28.236 14.611 1.00 2.22 H new ATOM 732 N SER A 45 19.998 -28.749 17.072 1.00 1.24 N ATOM 733 CA SER A 45 20.880 -28.978 18.217 1.00 4.12 C ATOM 734 C SER A 45 21.086 -27.682 19.014 1.00 51.21 C ATOM 735 O SER A 45 21.367 -26.626 18.442 1.00 41.45 O ATOM 736 CB SER A 45 22.235 -29.533 17.751 1.00 21.45 C ATOM 737 OG SER A 45 22.837 -28.696 16.776 1.00 71.44 O ATOM 0 H SER A 45 20.485 -28.525 16.204 1.00 1.24 H new ATOM 0 HA SER A 45 20.405 -29.712 18.868 1.00 4.12 H new ATOM 0 HB2 SER A 45 22.902 -29.632 18.608 1.00 21.45 H new ATOM 0 HB3 SER A 45 22.097 -30.532 17.338 1.00 21.45 H new ATOM 0 HG SER A 45 23.525 -28.142 17.200 1.00 71.44 H new ATOM 743 N PRO A 46 20.945 -27.741 20.354 1.00 2.14 N ATOM 744 CA PRO A 46 21.114 -26.562 21.226 1.00 53.10 C ATOM 745 C PRO A 46 22.564 -26.055 21.280 1.00 43.01 C ATOM 746 O PRO A 46 22.844 -25.001 21.851 1.00 0.32 O ATOM 747 CB PRO A 46 20.671 -27.079 22.604 1.00 65.21 C ATOM 748 CG PRO A 46 20.909 -28.550 22.545 1.00 22.33 C ATOM 749 CD PRO A 46 20.604 -28.953 21.128 1.00 23.54 C ATOM 0 HA PRO A 46 20.541 -25.708 20.865 1.00 53.10 H new ATOM 0 HB2 PRO A 46 21.246 -26.616 23.406 1.00 65.21 H new ATOM 0 HB3 PRO A 46 19.621 -26.854 22.794 1.00 65.21 H new ATOM 0 HG2 PRO A 46 21.939 -28.791 22.808 1.00 22.33 H new ATOM 0 HG3 PRO A 46 20.268 -29.079 23.250 1.00 22.33 H new ATOM 0 HD2 PRO A 46 21.199 -29.811 20.816 1.00 23.54 H new ATOM 0 HD3 PRO A 46 19.557 -29.229 21.004 1.00 23.54 H new ATOM 757 N SER A 47 23.483 -26.819 20.692 1.00 73.41 N ATOM 758 CA SER A 47 24.902 -26.445 20.644 1.00 15.33 C ATOM 759 C SER A 47 25.448 -26.484 19.211 1.00 74.05 C ATOM 760 O SER A 47 24.880 -27.136 18.329 1.00 34.35 O ATOM 761 CB SER A 47 25.731 -27.392 21.524 1.00 44.21 C ATOM 762 OG SER A 47 27.120 -27.125 21.399 1.00 72.43 O ATOM 0 H SER A 47 23.271 -27.708 20.238 1.00 73.41 H new ATOM 0 HA SER A 47 24.982 -25.424 21.018 1.00 15.33 H new ATOM 0 HB2 SER A 47 25.429 -27.282 22.566 1.00 44.21 H new ATOM 0 HB3 SER A 47 25.530 -28.425 21.241 1.00 44.21 H new ATOM 0 HG SER A 47 27.595 -27.493 22.173 1.00 72.43 H new ATOM 768 N GLY A 48 26.547 -25.770 18.985 1.00 11.12 N ATOM 769 CA GLY A 48 27.248 -25.838 17.706 1.00 31.55 C ATOM 770 C GLY A 48 28.375 -26.863 17.718 1.00 5.50 C ATOM 771 O GLY A 48 29.106 -27.017 16.736 1.00 54.11 O ATOM 0 H GLY A 48 26.970 -25.140 19.667 1.00 11.12 H new ATOM 0 HA2 GLY A 48 26.538 -26.091 16.918 1.00 31.55 H new ATOM 0 HA3 GLY A 48 27.655 -24.856 17.465 1.00 31.55 H new ATOM 775 N GLU A 49 28.517 -27.558 18.843 1.00 23.23 N ATOM 776 CA GLU A 49 29.542 -28.588 19.006 1.00 73.45 C ATOM 777 C GLU A 49 29.098 -29.934 18.423 1.00 31.14 C ATOM 778 O GLU A 49 27.903 -30.243 18.370 1.00 62.40 O ATOM 779 CB GLU A 49 29.887 -28.752 20.492 1.00 2.53 C ATOM 780 CG GLU A 49 30.634 -27.563 21.083 1.00 3.41 C ATOM 781 CD GLU A 49 31.982 -27.344 20.417 1.00 23.51 C ATOM 782 OE1 GLU A 49 32.930 -28.099 20.724 1.00 13.22 O ATOM 783 OE2 GLU A 49 32.098 -26.434 19.567 1.00 5.33 O ATOM 0 H GLU A 49 27.928 -27.425 19.665 1.00 23.23 H new ATOM 0 HA GLU A 49 30.426 -28.264 18.456 1.00 73.45 H new ATOM 0 HB2 GLU A 49 28.966 -28.907 21.054 1.00 2.53 H new ATOM 0 HB3 GLU A 49 30.493 -29.649 20.618 1.00 2.53 H new ATOM 0 HG2 GLU A 49 30.027 -26.664 20.975 1.00 3.41 H new ATOM 0 HG3 GLU A 49 30.780 -27.722 22.151 1.00 3.41 H new ATOM 790 N LYS A 50 30.075 -30.733 17.995 1.00 12.50 N ATOM 791 CA LYS A 50 29.820 -32.073 17.456 1.00 12.22 C ATOM 792 C LYS A 50 29.144 -32.975 18.503 1.00 62.40 C ATOM 793 O LYS A 50 29.812 -33.696 19.247 1.00 13.24 O ATOM 794 CB LYS A 50 31.142 -32.702 16.987 1.00 12.00 C ATOM 795 CG LYS A 50 31.811 -31.943 15.841 1.00 60.31 C ATOM 796 CD LYS A 50 33.275 -32.344 15.657 1.00 32.03 C ATOM 797 CE LYS A 50 33.447 -33.839 15.412 1.00 32.24 C ATOM 798 NZ LYS A 50 32.792 -34.289 14.154 1.00 54.22 N ATOM 0 H LYS A 50 31.061 -30.474 18.011 1.00 12.50 H new ATOM 0 HA LYS A 50 29.142 -31.980 16.608 1.00 12.22 H new ATOM 0 HB2 LYS A 50 31.831 -32.750 17.830 1.00 12.00 H new ATOM 0 HB3 LYS A 50 30.954 -33.728 16.671 1.00 12.00 H new ATOM 0 HG2 LYS A 50 31.266 -32.131 14.916 1.00 60.31 H new ATOM 0 HG3 LYS A 50 31.751 -30.872 16.034 1.00 60.31 H new ATOM 0 HD2 LYS A 50 33.697 -31.791 14.818 1.00 32.03 H new ATOM 0 HD3 LYS A 50 33.841 -32.057 16.544 1.00 32.03 H new ATOM 0 HE2 LYS A 50 34.510 -34.077 15.370 1.00 32.24 H new ATOM 0 HE3 LYS A 50 33.030 -34.392 16.253 1.00 32.24 H new ATOM 0 HZ1 LYS A 50 32.981 -35.301 14.007 1.00 54.22 H new ATOM 0 HZ2 LYS A 50 31.766 -34.134 14.222 1.00 54.22 H new ATOM 0 HZ3 LYS A 50 33.171 -33.746 13.352 1.00 54.22 H new ATOM 812 N THR A 51 27.815 -32.902 18.573 1.00 71.03 N ATOM 813 CA THR A 51 27.033 -33.672 19.549 1.00 5.45 C ATOM 814 C THR A 51 25.849 -34.386 18.883 1.00 20.11 C ATOM 815 O THR A 51 25.336 -33.938 17.856 1.00 34.24 O ATOM 816 CB THR A 51 26.488 -32.761 20.680 1.00 61.43 C ATOM 817 OG1 THR A 51 25.719 -31.681 20.123 1.00 13.25 O ATOM 818 CG2 THR A 51 27.618 -32.189 21.530 1.00 54.43 C ATOM 0 H THR A 51 27.250 -32.313 17.961 1.00 71.03 H new ATOM 0 HA THR A 51 27.710 -34.413 19.973 1.00 5.45 H new ATOM 0 HB THR A 51 25.852 -33.375 21.318 1.00 61.43 H new ATOM 0 HG1 THR A 51 26.295 -31.128 19.555 1.00 13.25 H new ATOM 0 HG21 THR A 51 27.200 -31.556 22.312 1.00 54.43 H new ATOM 0 HG22 THR A 51 28.180 -33.005 21.985 1.00 54.43 H new ATOM 0 HG23 THR A 51 28.283 -31.597 20.901 1.00 54.43 H new ATOM 826 N LEU A 52 25.402 -35.483 19.489 1.00 32.31 N ATOM 827 CA LEU A 52 24.282 -36.278 18.957 1.00 61.31 C ATOM 828 C LEU A 52 22.930 -35.767 19.491 1.00 64.40 C ATOM 829 O LEU A 52 21.902 -36.436 19.362 1.00 53.53 O ATOM 830 CB LEU A 52 24.457 -37.766 19.326 1.00 45.04 C ATOM 831 CG LEU A 52 25.727 -38.458 18.787 1.00 23.25 C ATOM 832 CD1 LEU A 52 25.895 -38.199 17.291 1.00 51.45 C ATOM 833 CD2 LEU A 52 26.973 -38.025 19.565 1.00 63.40 C ATOM 0 H LEU A 52 25.797 -35.849 20.355 1.00 32.31 H new ATOM 0 HA LEU A 52 24.286 -36.172 17.872 1.00 61.31 H new ATOM 0 HB2 LEU A 52 24.455 -37.852 20.413 1.00 45.04 H new ATOM 0 HB3 LEU A 52 23.588 -38.314 18.962 1.00 45.04 H new ATOM 0 HG LEU A 52 25.607 -39.532 18.933 1.00 23.25 H new ATOM 0 HD11 LEU A 52 26.797 -38.697 16.935 1.00 51.45 H new ATOM 0 HD12 LEU A 52 25.030 -38.588 16.755 1.00 51.45 H new ATOM 0 HD13 LEU A 52 25.979 -37.127 17.115 1.00 51.45 H new ATOM 0 HD21 LEU A 52 27.849 -38.531 19.160 1.00 63.40 H new ATOM 0 HD22 LEU A 52 27.102 -36.947 19.474 1.00 63.40 H new ATOM 0 HD23 LEU A 52 26.856 -38.289 20.616 1.00 63.40 H new ATOM 845 N ARG A 53 22.934 -34.563 20.060 1.00 71.30 N ATOM 846 CA ARG A 53 21.736 -33.985 20.686 1.00 21.11 C ATOM 847 C ARG A 53 20.861 -33.233 19.669 1.00 52.01 C ATOM 848 O ARG A 53 20.140 -32.298 20.022 1.00 12.22 O ATOM 849 CB ARG A 53 22.159 -33.040 21.817 1.00 53.40 C ATOM 850 CG ARG A 53 23.080 -33.693 22.840 1.00 54.54 C ATOM 851 CD ARG A 53 23.454 -32.738 23.963 1.00 11.15 C ATOM 852 NE ARG A 53 24.407 -33.339 24.892 1.00 43.04 N ATOM 853 CZ ARG A 53 24.659 -32.883 26.087 1.00 4.23 C ATOM 854 NH1 ARG A 53 24.017 -31.864 26.557 1.00 1.33 N ATOM 855 NH2 ARG A 53 25.557 -33.460 26.815 1.00 24.22 N ATOM 0 H ARG A 53 23.757 -33.962 20.103 1.00 71.30 H new ATOM 0 HA ARG A 53 21.137 -34.802 21.087 1.00 21.11 H new ATOM 0 HB2 ARG A 53 22.662 -32.174 21.387 1.00 53.40 H new ATOM 0 HB3 ARG A 53 21.268 -32.672 22.325 1.00 53.40 H new ATOM 0 HG2 ARG A 53 22.590 -34.572 23.260 1.00 54.54 H new ATOM 0 HG3 ARG A 53 23.986 -34.040 22.343 1.00 54.54 H new ATOM 0 HD2 ARG A 53 23.883 -31.830 23.540 1.00 11.15 H new ATOM 0 HD3 ARG A 53 22.555 -32.444 24.504 1.00 11.15 H new ATOM 0 HE ARG A 53 24.909 -34.172 24.585 1.00 43.04 H new ATOM 0 HH11 ARG A 53 23.303 -31.406 25.991 1.00 1.33 H new ATOM 0 HH12 ARG A 53 24.225 -31.518 27.494 1.00 1.33 H new ATOM 0 HH21 ARG A 53 26.064 -34.268 26.454 1.00 24.22 H new ATOM 0 HH22 ARG A 53 25.759 -33.108 27.751 1.00 24.22 H new ATOM 869 N GLY A 54 20.918 -33.657 18.412 1.00 65.24 N ATOM 870 CA GLY A 54 20.100 -33.044 17.371 1.00 61.12 C ATOM 871 C GLY A 54 18.605 -33.318 17.540 1.00 13.05 C ATOM 872 O GLY A 54 18.050 -34.210 16.893 1.00 50.13 O ATOM 0 H GLY A 54 21.517 -34.417 18.090 1.00 65.24 H new ATOM 0 HA2 GLY A 54 20.268 -31.967 17.373 1.00 61.12 H new ATOM 0 HA3 GLY A 54 20.423 -33.415 16.398 1.00 61.12 H new ATOM 876 N THR A 55 17.955 -32.563 18.425 1.00 25.43 N ATOM 877 CA THR A 55 16.504 -32.673 18.630 1.00 34.51 C ATOM 878 C THR A 55 15.746 -32.061 17.445 1.00 33.32 C ATOM 879 O THR A 55 15.854 -30.866 17.188 1.00 14.12 O ATOM 880 CB THR A 55 16.056 -31.960 19.933 1.00 35.51 C ATOM 881 OG1 THR A 55 16.799 -32.467 21.056 1.00 54.42 O ATOM 882 CG2 THR A 55 14.562 -32.156 20.183 1.00 74.13 C ATOM 0 H THR A 55 18.409 -31.865 19.015 1.00 25.43 H new ATOM 0 HA THR A 55 16.271 -33.735 18.712 1.00 34.51 H new ATOM 0 HB THR A 55 16.252 -30.894 19.815 1.00 35.51 H new ATOM 0 HG1 THR A 55 16.510 -32.009 21.873 1.00 54.42 H new ATOM 0 HG21 THR A 55 14.277 -31.645 21.103 1.00 74.13 H new ATOM 0 HG22 THR A 55 13.996 -31.743 19.348 1.00 74.13 H new ATOM 0 HG23 THR A 55 14.345 -33.220 20.277 1.00 74.13 H new ATOM 890 N THR A 56 14.983 -32.872 16.716 1.00 52.21 N ATOM 891 CA THR A 56 14.319 -32.384 15.500 1.00 50.34 C ATOM 892 C THR A 56 13.022 -31.621 15.809 1.00 14.53 C ATOM 893 O THR A 56 12.231 -32.022 16.671 1.00 72.21 O ATOM 894 CB THR A 56 14.014 -33.521 14.489 1.00 2.52 C ATOM 895 OG1 THR A 56 13.683 -32.956 13.213 1.00 50.20 O ATOM 896 CG2 THR A 56 12.860 -34.404 14.951 1.00 62.44 C ATOM 0 H THR A 56 14.808 -33.852 16.936 1.00 52.21 H new ATOM 0 HA THR A 56 15.031 -31.697 15.043 1.00 50.34 H new ATOM 0 HB THR A 56 14.908 -34.140 14.416 1.00 2.52 H new ATOM 0 HG1 THR A 56 14.322 -33.271 12.540 1.00 50.20 H new ATOM 0 HG21 THR A 56 12.682 -35.186 14.213 1.00 62.44 H new ATOM 0 HG22 THR A 56 13.111 -34.860 15.909 1.00 62.44 H new ATOM 0 HG23 THR A 56 11.961 -33.798 15.062 1.00 62.44 H new ATOM 904 N TRP A 57 12.822 -30.513 15.101 1.00 1.31 N ATOM 905 CA TRP A 57 11.608 -29.700 15.229 1.00 31.25 C ATOM 906 C TRP A 57 10.783 -29.765 13.937 1.00 14.23 C ATOM 907 O TRP A 57 11.329 -29.691 12.834 1.00 55.02 O ATOM 908 CB TRP A 57 11.962 -28.243 15.564 1.00 44.02 C ATOM 909 CG TRP A 57 12.416 -28.040 16.983 1.00 1.44 C ATOM 910 CD1 TRP A 57 13.495 -28.616 17.591 1.00 15.11 C ATOM 911 CD2 TRP A 57 11.811 -27.187 17.965 1.00 41.32 C ATOM 912 NE1 TRP A 57 13.590 -28.185 18.891 1.00 44.34 N ATOM 913 CE2 TRP A 57 12.570 -27.305 19.144 1.00 14.32 C ATOM 914 CE3 TRP A 57 10.700 -26.336 17.961 1.00 43.44 C ATOM 915 CZ2 TRP A 57 12.253 -26.607 20.308 1.00 52.23 C ATOM 916 CZ3 TRP A 57 10.387 -25.642 19.116 1.00 20.50 C ATOM 917 CH2 TRP A 57 11.161 -25.779 20.275 1.00 22.24 C ATOM 0 H TRP A 57 13.493 -30.151 14.423 1.00 1.31 H new ATOM 0 HA TRP A 57 11.010 -30.104 16.046 1.00 31.25 H new ATOM 0 HB2 TRP A 57 12.748 -27.905 14.889 1.00 44.02 H new ATOM 0 HB3 TRP A 57 11.091 -27.615 15.378 1.00 44.02 H new ATOM 0 HD1 TRP A 57 14.174 -29.310 17.118 1.00 15.11 H new ATOM 0 HE1 TRP A 57 14.304 -28.473 19.560 1.00 44.34 H new ATOM 0 HE3 TRP A 57 10.098 -26.223 17.072 1.00 43.44 H new ATOM 0 HZ2 TRP A 57 12.846 -26.715 21.204 1.00 52.23 H new ATOM 0 HZ3 TRP A 57 9.531 -24.983 19.124 1.00 20.50 H new ATOM 0 HH2 TRP A 57 10.892 -25.221 21.160 1.00 22.24 H new ATOM 928 N TYR A 58 9.472 -29.908 14.086 1.00 62.01 N ATOM 929 CA TYR A 58 8.565 -30.071 12.946 1.00 33.14 C ATOM 930 C TYR A 58 8.046 -28.723 12.422 1.00 44.43 C ATOM 931 O TYR A 58 7.720 -27.817 13.195 1.00 15.12 O ATOM 932 CB TYR A 58 7.390 -30.973 13.347 1.00 62.33 C ATOM 933 CG TYR A 58 7.803 -32.404 13.634 1.00 11.21 C ATOM 934 CD1 TYR A 58 8.469 -32.737 14.809 1.00 43.52 C ATOM 935 CD2 TYR A 58 7.540 -33.420 12.723 1.00 72.42 C ATOM 936 CE1 TYR A 58 8.857 -34.038 15.065 1.00 22.42 C ATOM 937 CE2 TYR A 58 7.923 -34.723 12.977 1.00 53.34 C ATOM 938 CZ TYR A 58 8.582 -35.025 14.146 1.00 65.42 C ATOM 939 OH TYR A 58 8.969 -36.319 14.393 1.00 10.10 O ATOM 0 H TYR A 58 9.005 -29.915 14.993 1.00 62.01 H new ATOM 0 HA TYR A 58 9.127 -30.536 12.136 1.00 33.14 H new ATOM 0 HB2 TYR A 58 6.907 -30.557 14.231 1.00 62.33 H new ATOM 0 HB3 TYR A 58 6.649 -30.969 12.548 1.00 62.33 H new ATOM 0 HD1 TYR A 58 8.686 -31.966 15.533 1.00 43.52 H new ATOM 0 HD2 TYR A 58 7.028 -33.187 11.801 1.00 72.42 H new ATOM 0 HE1 TYR A 58 9.374 -34.279 15.982 1.00 22.42 H new ATOM 0 HE2 TYR A 58 7.706 -35.501 12.260 1.00 53.34 H new ATOM 0 HH TYR A 58 8.579 -36.621 15.240 1.00 10.10 H new ATOM 949 N ASN A 59 7.969 -28.612 11.098 1.00 24.25 N ATOM 950 CA ASN A 59 7.493 -27.400 10.429 1.00 34.41 C ATOM 951 C ASN A 59 5.976 -27.483 10.180 1.00 34.51 C ATOM 952 O ASN A 59 5.524 -28.158 9.247 1.00 41.13 O ATOM 953 CB ASN A 59 8.248 -27.228 9.100 1.00 44.00 C ATOM 954 CG ASN A 59 8.129 -25.834 8.515 1.00 65.10 C ATOM 955 OD1 ASN A 59 7.166 -25.119 8.756 1.00 23.12 O ATOM 956 ND2 ASN A 59 9.101 -25.445 7.716 1.00 70.31 N ATOM 0 H ASN A 59 8.235 -29.359 10.457 1.00 24.25 H new ATOM 0 HA ASN A 59 7.683 -26.537 11.067 1.00 34.41 H new ATOM 0 HB2 ASN A 59 9.302 -27.459 9.257 1.00 44.00 H new ATOM 0 HB3 ASN A 59 7.867 -27.950 8.378 1.00 44.00 H new ATOM 0 HD21 ASN A 59 9.064 -24.524 7.278 1.00 70.31 H new ATOM 0 HD22 ASN A 59 9.891 -26.064 7.535 1.00 70.31 H new ATOM 963 N TYR A 60 5.192 -26.804 11.021 1.00 51.52 N ATOM 964 CA TYR A 60 3.725 -26.864 10.938 1.00 63.54 C ATOM 965 C TYR A 60 3.192 -26.488 9.534 1.00 2.43 C ATOM 966 O TYR A 60 2.399 -27.236 8.970 1.00 50.14 O ATOM 967 CB TYR A 60 3.076 -25.981 12.018 1.00 4.24 C ATOM 968 CG TYR A 60 1.560 -25.900 11.918 1.00 34.03 C ATOM 969 CD1 TYR A 60 0.753 -26.953 12.342 1.00 4.14 C ATOM 970 CD2 TYR A 60 0.937 -24.771 11.392 1.00 62.24 C ATOM 971 CE1 TYR A 60 -0.625 -26.882 12.243 1.00 70.11 C ATOM 972 CE2 TYR A 60 -0.439 -24.694 11.294 1.00 64.14 C ATOM 973 CZ TYR A 60 -1.214 -25.751 11.718 1.00 20.52 C ATOM 974 OH TYR A 60 -2.584 -25.678 11.613 1.00 70.04 O ATOM 0 H TYR A 60 5.545 -26.206 11.768 1.00 51.52 H new ATOM 0 HA TYR A 60 3.445 -27.902 11.118 1.00 63.54 H new ATOM 0 HB2 TYR A 60 3.345 -26.368 13.001 1.00 4.24 H new ATOM 0 HB3 TYR A 60 3.489 -24.975 11.948 1.00 4.24 H new ATOM 0 HD1 TYR A 60 1.211 -27.840 12.755 1.00 4.14 H new ATOM 0 HD2 TYR A 60 1.540 -23.941 11.055 1.00 62.24 H new ATOM 0 HE1 TYR A 60 -1.236 -27.708 12.575 1.00 70.11 H new ATOM 0 HE2 TYR A 60 -0.905 -23.809 10.887 1.00 64.14 H new ATOM 0 HH TYR A 60 -2.837 -24.815 11.224 1.00 70.04 H new ATOM 984 N PRO A 61 3.588 -25.328 8.955 1.00 64.22 N ATOM 985 CA PRO A 61 3.174 -24.947 7.588 1.00 15.53 C ATOM 986 C PRO A 61 3.367 -26.074 6.554 1.00 31.52 C ATOM 987 O PRO A 61 2.451 -26.397 5.797 1.00 31.22 O ATOM 988 CB PRO A 61 4.093 -23.762 7.270 1.00 41.12 C ATOM 989 CG PRO A 61 4.368 -23.142 8.597 1.00 55.23 C ATOM 990 CD PRO A 61 4.433 -24.286 9.576 1.00 72.21 C ATOM 0 HA PRO A 61 2.109 -24.718 7.539 1.00 15.53 H new ATOM 0 HB2 PRO A 61 5.013 -24.091 6.786 1.00 41.12 H new ATOM 0 HB3 PRO A 61 3.612 -23.056 6.593 1.00 41.12 H new ATOM 0 HG2 PRO A 61 5.305 -22.585 8.582 1.00 55.23 H new ATOM 0 HG3 PRO A 61 3.583 -22.437 8.870 1.00 55.23 H new ATOM 0 HD2 PRO A 61 5.456 -24.633 9.719 1.00 72.21 H new ATOM 0 HD3 PRO A 61 4.055 -23.996 10.556 1.00 72.21 H new ATOM 998 N GLU A 62 4.558 -26.672 6.542 1.00 42.41 N ATOM 999 CA GLU A 62 4.884 -27.749 5.597 1.00 3.30 C ATOM 1000 C GLU A 62 3.991 -28.988 5.798 1.00 11.14 C ATOM 1001 O GLU A 62 3.546 -29.613 4.832 1.00 42.21 O ATOM 1002 CB GLU A 62 6.360 -28.147 5.744 1.00 13.42 C ATOM 1003 CG GLU A 62 7.342 -27.038 5.386 1.00 71.24 C ATOM 1004 CD GLU A 62 7.175 -26.545 3.960 1.00 45.35 C ATOM 1005 OE1 GLU A 62 7.408 -27.339 3.027 1.00 61.13 O ATOM 1006 OE2 GLU A 62 6.815 -25.362 3.765 1.00 63.31 O ATOM 0 H GLU A 62 5.318 -26.430 7.177 1.00 42.41 H new ATOM 0 HA GLU A 62 4.700 -27.367 4.593 1.00 3.30 H new ATOM 0 HB2 GLU A 62 6.540 -28.459 6.773 1.00 13.42 H new ATOM 0 HB3 GLU A 62 6.557 -29.011 5.109 1.00 13.42 H new ATOM 0 HG2 GLU A 62 7.206 -26.203 6.073 1.00 71.24 H new ATOM 0 HG3 GLU A 62 8.360 -27.402 5.523 1.00 71.24 H new ATOM 1013 N ILE A 63 3.747 -29.343 7.057 1.00 12.44 N ATOM 1014 CA ILE A 63 2.907 -30.500 7.398 1.00 24.01 C ATOM 1015 C ILE A 63 1.420 -30.222 7.118 1.00 64.31 C ATOM 1016 O ILE A 63 0.735 -31.022 6.478 1.00 10.11 O ATOM 1017 CB ILE A 63 3.106 -30.895 8.885 1.00 44.24 C ATOM 1018 CG1 ILE A 63 4.548 -31.395 9.099 1.00 65.33 C ATOM 1019 CG2 ILE A 63 2.081 -31.943 9.327 1.00 72.22 C ATOM 1020 CD1 ILE A 63 4.884 -31.740 10.535 1.00 55.35 C ATOM 0 H ILE A 63 4.119 -28.846 7.866 1.00 12.44 H new ATOM 0 HA ILE A 63 3.218 -31.330 6.764 1.00 24.01 H new ATOM 0 HB ILE A 63 2.945 -30.013 9.506 1.00 44.24 H new ATOM 0 HG12 ILE A 63 4.710 -32.277 8.479 1.00 65.33 H new ATOM 0 HG13 ILE A 63 5.241 -30.629 8.751 1.00 65.33 H new ATOM 0 HG21 ILE A 63 2.249 -32.197 10.374 1.00 72.22 H new ATOM 0 HG22 ILE A 63 1.075 -31.541 9.208 1.00 72.22 H new ATOM 0 HG23 ILE A 63 2.189 -32.838 8.714 1.00 72.22 H new ATOM 0 HD11 ILE A 63 5.917 -32.083 10.595 1.00 55.35 H new ATOM 0 HD12 ILE A 63 4.758 -30.856 11.161 1.00 55.35 H new ATOM 0 HD13 ILE A 63 4.219 -32.530 10.885 1.00 55.35 H new ATOM 1032 N ASN A 64 0.935 -29.080 7.597 1.00 20.00 N ATOM 1033 CA ASN A 64 -0.448 -28.655 7.355 1.00 0.32 C ATOM 1034 C ASN A 64 -0.742 -28.575 5.849 1.00 61.45 C ATOM 1035 O ASN A 64 -1.831 -28.933 5.398 1.00 42.24 O ATOM 1036 CB ASN A 64 -0.697 -27.294 8.022 1.00 4.30 C ATOM 1037 CG ASN A 64 -2.135 -26.829 7.887 1.00 23.31 C ATOM 1038 OD1 ASN A 64 -2.493 -26.137 6.941 1.00 35.15 O ATOM 1039 ND2 ASN A 64 -2.969 -27.205 8.834 1.00 22.51 N ATOM 0 H ASN A 64 1.480 -28.426 8.159 1.00 20.00 H new ATOM 0 HA ASN A 64 -1.120 -29.395 7.790 1.00 0.32 H new ATOM 0 HB2 ASN A 64 -0.439 -27.359 9.079 1.00 4.30 H new ATOM 0 HB3 ASN A 64 -0.036 -26.550 7.578 1.00 4.30 H new ATOM 0 HD21 ASN A 64 -3.948 -26.920 8.794 1.00 22.51 H new ATOM 0 HD22 ASN A 64 -2.636 -27.781 9.607 1.00 22.51 H new ATOM 1046 N LYS A 65 0.243 -28.108 5.081 1.00 32.45 N ATOM 1047 CA LYS A 65 0.137 -28.051 3.618 1.00 75.55 C ATOM 1048 C LYS A 65 -0.135 -29.460 3.051 1.00 62.03 C ATOM 1049 O LYS A 65 -1.076 -29.663 2.282 1.00 34.23 O ATOM 1050 CB LYS A 65 1.439 -27.465 3.025 1.00 73.25 C ATOM 1051 CG LYS A 65 1.282 -26.778 1.662 1.00 2.31 C ATOM 1052 CD LYS A 65 0.954 -27.754 0.532 1.00 72.23 C ATOM 1053 CE LYS A 65 2.063 -28.778 0.313 1.00 44.14 C ATOM 1054 NZ LYS A 65 1.729 -29.719 -0.787 1.00 63.25 N ATOM 0 H LYS A 65 1.129 -27.761 5.448 1.00 32.45 H new ATOM 0 HA LYS A 65 -0.696 -27.405 3.341 1.00 75.55 H new ATOM 0 HB2 LYS A 65 1.850 -26.745 3.732 1.00 73.25 H new ATOM 0 HB3 LYS A 65 2.169 -28.268 2.928 1.00 73.25 H new ATOM 0 HG2 LYS A 65 0.492 -26.030 1.728 1.00 2.31 H new ATOM 0 HG3 LYS A 65 2.204 -26.249 1.421 1.00 2.31 H new ATOM 0 HD2 LYS A 65 0.023 -28.273 0.761 1.00 72.23 H new ATOM 0 HD3 LYS A 65 0.789 -27.197 -0.390 1.00 72.23 H new ATOM 0 HE2 LYS A 65 2.995 -28.262 0.081 1.00 44.14 H new ATOM 0 HE3 LYS A 65 2.229 -29.338 1.233 1.00 44.14 H new ATOM 0 HZ1 LYS A 65 2.473 -30.442 -0.863 1.00 63.25 H new ATOM 0 HZ2 LYS A 65 0.818 -30.179 -0.586 1.00 63.25 H new ATOM 0 HZ3 LYS A 65 1.662 -29.196 -1.683 1.00 63.25 H new ATOM 1068 N PHE A 66 0.695 -30.427 3.459 1.00 33.15 N ATOM 1069 CA PHE A 66 0.548 -31.829 3.035 1.00 61.11 C ATOM 1070 C PHE A 66 -0.855 -32.374 3.359 1.00 65.23 C ATOM 1071 O PHE A 66 -1.517 -32.978 2.510 1.00 73.40 O ATOM 1072 CB PHE A 66 1.622 -32.695 3.721 1.00 20.30 C ATOM 1073 CG PHE A 66 1.481 -34.179 3.462 1.00 53.44 C ATOM 1074 CD1 PHE A 66 1.946 -34.739 2.282 1.00 13.00 C ATOM 1075 CD2 PHE A 66 0.876 -35.010 4.399 1.00 44.14 C ATOM 1076 CE1 PHE A 66 1.814 -36.093 2.042 1.00 12.33 C ATOM 1077 CE2 PHE A 66 0.742 -36.365 4.161 1.00 3.43 C ATOM 1078 CZ PHE A 66 1.211 -36.907 2.980 1.00 21.42 C ATOM 0 H PHE A 66 1.482 -30.265 4.087 1.00 33.15 H new ATOM 0 HA PHE A 66 0.679 -31.871 1.954 1.00 61.11 H new ATOM 0 HB2 PHE A 66 2.606 -32.370 3.382 1.00 20.30 H new ATOM 0 HB3 PHE A 66 1.582 -32.520 4.796 1.00 20.30 H new ATOM 0 HD1 PHE A 66 2.417 -34.109 1.542 1.00 13.00 H new ATOM 0 HD2 PHE A 66 0.507 -34.592 5.324 1.00 44.14 H new ATOM 0 HE1 PHE A 66 2.183 -36.515 1.119 1.00 12.33 H new ATOM 0 HE2 PHE A 66 0.271 -36.999 4.897 1.00 3.43 H new ATOM 0 HZ PHE A 66 1.106 -37.965 2.791 1.00 21.42 H new ATOM 1088 N ILE A 67 -1.296 -32.160 4.594 1.00 31.23 N ATOM 1089 CA ILE A 67 -2.614 -32.623 5.040 1.00 11.01 C ATOM 1090 C ILE A 67 -3.743 -31.951 4.241 1.00 51.14 C ATOM 1091 O ILE A 67 -4.719 -32.597 3.855 1.00 44.43 O ATOM 1092 CB ILE A 67 -2.816 -32.346 6.553 1.00 50.23 C ATOM 1093 CG1 ILE A 67 -1.700 -33.022 7.371 1.00 62.32 C ATOM 1094 CG2 ILE A 67 -4.196 -32.824 7.016 1.00 12.01 C ATOM 1095 CD1 ILE A 67 -1.760 -32.728 8.855 1.00 14.22 C ATOM 0 H ILE A 67 -0.761 -31.668 5.309 1.00 31.23 H new ATOM 0 HA ILE A 67 -2.654 -33.698 4.865 1.00 11.01 H new ATOM 0 HB ILE A 67 -2.763 -31.270 6.717 1.00 50.23 H new ATOM 0 HG12 ILE A 67 -1.757 -34.100 7.222 1.00 62.32 H new ATOM 0 HG13 ILE A 67 -0.734 -32.697 6.985 1.00 62.32 H new ATOM 0 HG21 ILE A 67 -4.314 -32.619 8.080 1.00 12.01 H new ATOM 0 HG22 ILE A 67 -4.970 -32.298 6.457 1.00 12.01 H new ATOM 0 HG23 ILE A 67 -4.287 -33.896 6.841 1.00 12.01 H new ATOM 0 HD11 ILE A 67 -0.941 -33.240 9.361 1.00 14.22 H new ATOM 0 HD12 ILE A 67 -1.672 -31.654 9.017 1.00 14.22 H new ATOM 0 HD13 ILE A 67 -2.711 -33.078 9.257 1.00 14.22 H new ATOM 1107 N ARG A 68 -3.589 -30.656 3.981 1.00 20.41 N ATOM 1108 CA ARG A 68 -4.601 -29.872 3.264 1.00 14.11 C ATOM 1109 C ARG A 68 -4.888 -30.434 1.856 1.00 61.03 C ATOM 1110 O ARG A 68 -6.019 -30.352 1.367 1.00 35.24 O ATOM 1111 CB ARG A 68 -4.146 -28.411 3.169 1.00 24.01 C ATOM 1112 CG ARG A 68 -5.131 -27.493 2.454 1.00 24.34 C ATOM 1113 CD ARG A 68 -4.666 -26.040 2.478 1.00 42.00 C ATOM 1114 NE ARG A 68 -5.602 -25.153 1.790 1.00 44.34 N ATOM 1115 CZ ARG A 68 -6.077 -24.044 2.292 1.00 5.02 C ATOM 1116 NH1 ARG A 68 -5.713 -23.635 3.468 1.00 20.22 N ATOM 1117 NH2 ARG A 68 -6.910 -23.337 1.603 1.00 54.23 N ATOM 0 H ARG A 68 -2.767 -30.119 4.257 1.00 20.41 H new ATOM 0 HA ARG A 68 -5.531 -29.935 3.829 1.00 14.11 H new ATOM 0 HB2 ARG A 68 -3.976 -28.029 4.176 1.00 24.01 H new ATOM 0 HB3 ARG A 68 -3.189 -28.374 2.649 1.00 24.01 H new ATOM 0 HG2 ARG A 68 -5.250 -27.820 1.421 1.00 24.34 H new ATOM 0 HG3 ARG A 68 -6.110 -27.570 2.927 1.00 24.34 H new ATOM 0 HD2 ARG A 68 -4.551 -25.714 3.512 1.00 42.00 H new ATOM 0 HD3 ARG A 68 -3.685 -25.966 2.009 1.00 42.00 H new ATOM 0 HE ARG A 68 -5.906 -25.418 0.853 1.00 44.34 H new ATOM 0 HH11 ARG A 68 -5.047 -24.181 4.014 1.00 20.22 H new ATOM 0 HH12 ARG A 68 -6.093 -22.767 3.846 1.00 20.22 H new ATOM 0 HH21 ARG A 68 -7.193 -23.645 0.673 1.00 54.23 H new ATOM 0 HH22 ARG A 68 -7.285 -22.470 1.989 1.00 54.23 H new ATOM 1131 N ASP A 69 -3.869 -31.007 1.213 1.00 32.45 N ATOM 1132 CA ASP A 69 -4.027 -31.583 -0.131 1.00 64.43 C ATOM 1133 C ASP A 69 -5.041 -32.738 -0.144 1.00 21.51 C ATOM 1134 O ASP A 69 -5.937 -32.786 -0.991 1.00 1.24 O ATOM 1135 CB ASP A 69 -2.681 -32.086 -0.667 1.00 54.33 C ATOM 1136 CG ASP A 69 -1.646 -30.984 -0.777 1.00 25.51 C ATOM 1137 OD1 ASP A 69 -1.907 -29.981 -1.470 1.00 42.14 O ATOM 1138 OD2 ASP A 69 -0.563 -31.118 -0.176 1.00 22.22 O ATOM 0 H ASP A 69 -2.927 -31.086 1.596 1.00 32.45 H new ATOM 0 HA ASP A 69 -4.403 -30.787 -0.774 1.00 64.43 H new ATOM 0 HB2 ASP A 69 -2.303 -32.869 -0.010 1.00 54.33 H new ATOM 0 HB3 ASP A 69 -2.831 -32.537 -1.648 1.00 54.33 H new ATOM 1143 N SER A 70 -4.886 -33.674 0.789 1.00 20.44 N ATOM 1144 CA SER A 70 -5.755 -34.858 0.850 1.00 52.25 C ATOM 1145 C SER A 70 -7.064 -34.576 1.600 1.00 70.20 C ATOM 1146 O SER A 70 -8.140 -34.970 1.150 1.00 21.32 O ATOM 1147 CB SER A 70 -5.023 -36.030 1.516 1.00 23.55 C ATOM 1148 OG SER A 70 -5.828 -37.199 1.525 1.00 55.01 O ATOM 0 H SER A 70 -4.170 -33.641 1.514 1.00 20.44 H new ATOM 0 HA SER A 70 -6.006 -35.121 -0.178 1.00 52.25 H new ATOM 0 HB2 SER A 70 -4.092 -36.230 0.985 1.00 23.55 H new ATOM 0 HB3 SER A 70 -4.755 -35.762 2.538 1.00 23.55 H new ATOM 0 HG SER A 70 -5.337 -37.931 1.954 1.00 55.01 H new ATOM 1154 N LEU A 71 -6.968 -33.896 2.742 1.00 63.24 N ATOM 1155 CA LEU A 71 -8.144 -33.600 3.575 1.00 4.32 C ATOM 1156 C LEU A 71 -9.100 -32.609 2.888 1.00 3.43 C ATOM 1157 O LEU A 71 -10.319 -32.799 2.906 1.00 2.11 O ATOM 1158 CB LEU A 71 -7.699 -33.040 4.936 1.00 1.43 C ATOM 1159 CG LEU A 71 -8.833 -32.718 5.926 1.00 70.22 C ATOM 1160 CD1 LEU A 71 -9.631 -33.976 6.275 1.00 71.44 C ATOM 1161 CD2 LEU A 71 -8.278 -32.059 7.188 1.00 61.32 C ATOM 0 H LEU A 71 -6.089 -33.537 3.116 1.00 63.24 H new ATOM 0 HA LEU A 71 -8.685 -34.534 3.723 1.00 4.32 H new ATOM 0 HB2 LEU A 71 -7.027 -33.760 5.403 1.00 1.43 H new ATOM 0 HB3 LEU A 71 -7.122 -32.131 4.764 1.00 1.43 H new ATOM 0 HG LEU A 71 -9.511 -32.014 5.444 1.00 70.22 H new ATOM 0 HD11 LEU A 71 -10.426 -33.720 6.976 1.00 71.44 H new ATOM 0 HD12 LEU A 71 -10.068 -34.393 5.368 1.00 71.44 H new ATOM 0 HD13 LEU A 71 -8.969 -34.712 6.730 1.00 71.44 H new ATOM 0 HD21 LEU A 71 -9.096 -31.840 7.874 1.00 61.32 H new ATOM 0 HD22 LEU A 71 -7.571 -32.734 7.670 1.00 61.32 H new ATOM 0 HD23 LEU A 71 -7.770 -31.132 6.921 1.00 61.32 H new ATOM 1173 N GLU A 72 -8.531 -31.559 2.287 1.00 3.20 N ATOM 1174 CA GLU A 72 -9.302 -30.509 1.598 1.00 63.40 C ATOM 1175 C GLU A 72 -10.130 -29.655 2.577 1.00 72.11 C ATOM 1176 O GLU A 72 -9.833 -28.484 2.808 1.00 2.40 O ATOM 1177 CB GLU A 72 -10.230 -31.116 0.530 1.00 24.02 C ATOM 1178 CG GLU A 72 -9.516 -31.955 -0.528 1.00 62.14 C ATOM 1179 CD GLU A 72 -10.485 -32.548 -1.539 1.00 50.54 C ATOM 1180 OE1 GLU A 72 -11.117 -33.584 -1.230 1.00 3.32 O ATOM 1181 OE2 GLU A 72 -10.641 -31.968 -2.635 1.00 54.44 O ATOM 0 H GLU A 72 -7.522 -31.409 2.262 1.00 3.20 H new ATOM 0 HA GLU A 72 -8.574 -29.857 1.115 1.00 63.40 H new ATOM 0 HB2 GLU A 72 -10.976 -31.738 1.026 1.00 24.02 H new ATOM 0 HB3 GLU A 72 -10.768 -30.309 0.033 1.00 24.02 H new ATOM 0 HG2 GLU A 72 -8.785 -31.336 -1.048 1.00 62.14 H new ATOM 0 HG3 GLU A 72 -8.964 -32.759 -0.041 1.00 62.14 H new ATOM 1188 N HIS A 73 -11.161 -30.264 3.155 1.00 52.21 N ATOM 1189 CA HIS A 73 -12.132 -29.561 4.004 1.00 72.22 C ATOM 1190 C HIS A 73 -11.812 -29.706 5.505 1.00 62.45 C ATOM 1191 O HIS A 73 -11.469 -30.787 5.977 1.00 32.40 O ATOM 1192 CB HIS A 73 -13.535 -30.110 3.708 1.00 12.04 C ATOM 1193 CG HIS A 73 -13.580 -31.611 3.662 1.00 71.25 C ATOM 1194 ND1 HIS A 73 -13.438 -32.410 4.776 1.00 71.13 N ATOM 1195 CD2 HIS A 73 -13.705 -32.460 2.613 1.00 54.44 C ATOM 1196 CE1 HIS A 73 -13.472 -33.677 4.415 1.00 34.30 C ATOM 1197 NE2 HIS A 73 -13.633 -33.737 3.110 1.00 24.14 N ATOM 0 H HIS A 73 -11.352 -31.261 3.051 1.00 52.21 H new ATOM 0 HA HIS A 73 -12.080 -28.497 3.772 1.00 72.22 H new ATOM 0 HB2 HIS A 73 -14.227 -29.754 4.472 1.00 12.04 H new ATOM 0 HB3 HIS A 73 -13.881 -29.712 2.754 1.00 12.04 H new ATOM 0 HD1 HIS A 73 -13.324 -32.073 5.732 1.00 71.13 H new ATOM 0 HD2 HIS A 73 -13.837 -32.183 1.578 1.00 54.44 H new ATOM 0 HE1 HIS A 73 -13.383 -34.524 5.079 1.00 34.30 H new ATOM 1206 N HIS A 74 -11.937 -28.606 6.248 1.00 61.40 N ATOM 1207 CA HIS A 74 -11.724 -28.618 7.701 1.00 55.21 C ATOM 1208 C HIS A 74 -12.967 -29.135 8.448 1.00 4.24 C ATOM 1209 O HIS A 74 -14.038 -28.521 8.401 1.00 11.03 O ATOM 1210 CB HIS A 74 -11.363 -27.208 8.194 1.00 24.32 C ATOM 1211 CG HIS A 74 -11.269 -27.090 9.689 1.00 41.55 C ATOM 1212 ND1 HIS A 74 -12.248 -26.497 10.455 1.00 10.21 N ATOM 1213 CD2 HIS A 74 -10.307 -27.484 10.560 1.00 10.12 C ATOM 1214 CE1 HIS A 74 -11.897 -26.530 11.724 1.00 1.43 C ATOM 1215 NE2 HIS A 74 -10.725 -27.123 11.816 1.00 43.40 N ATOM 0 H HIS A 74 -12.185 -27.692 5.869 1.00 61.40 H new ATOM 0 HA HIS A 74 -10.898 -29.297 7.912 1.00 55.21 H new ATOM 0 HB2 HIS A 74 -10.409 -26.914 7.756 1.00 24.32 H new ATOM 0 HB3 HIS A 74 -12.112 -26.504 7.830 1.00 24.32 H new ATOM 0 HD2 HIS A 74 -9.385 -27.988 10.311 1.00 10.12 H new ATOM 0 HE1 HIS A 74 -12.473 -26.137 12.549 1.00 1.43 H new ATOM 0 HE2 HIS A 74 -10.211 -27.287 12.681 1.00 43.40 H new ATOM 1224 N HIS A 75 -12.817 -30.266 9.134 1.00 14.24 N ATOM 1225 CA HIS A 75 -13.904 -30.841 9.933 1.00 34.20 C ATOM 1226 C HIS A 75 -14.324 -29.892 11.067 1.00 53.23 C ATOM 1227 O HIS A 75 -13.480 -29.349 11.781 1.00 51.13 O ATOM 1228 CB HIS A 75 -13.467 -32.195 10.508 1.00 50.13 C ATOM 1229 CG HIS A 75 -14.509 -32.870 11.345 1.00 52.25 C ATOM 1230 ND1 HIS A 75 -15.698 -33.340 10.834 1.00 71.32 N ATOM 1231 CD2 HIS A 75 -14.534 -33.158 12.668 1.00 24.35 C ATOM 1232 CE1 HIS A 75 -16.407 -33.884 11.800 1.00 21.42 C ATOM 1233 NE2 HIS A 75 -15.726 -33.788 12.924 1.00 32.32 N ATOM 0 H HIS A 75 -11.952 -30.806 9.154 1.00 14.24 H new ATOM 0 HA HIS A 75 -14.767 -30.987 9.283 1.00 34.20 H new ATOM 0 HB2 HIS A 75 -13.194 -32.856 9.685 1.00 50.13 H new ATOM 0 HB3 HIS A 75 -12.571 -32.049 11.111 1.00 50.13 H new ATOM 0 HD2 HIS A 75 -13.760 -32.934 13.387 1.00 24.35 H new ATOM 0 HE1 HIS A 75 -17.383 -34.334 11.690 1.00 21.42 H new ATOM 0 HE2 HIS A 75 -16.034 -34.127 13.835 1.00 32.32 H new ATOM 1242 N HIS A 76 -15.630 -29.695 11.224 1.00 12.25 N ATOM 1243 CA HIS A 76 -16.161 -28.805 12.262 1.00 45.51 C ATOM 1244 C HIS A 76 -16.192 -29.496 13.634 1.00 41.11 C ATOM 1245 O HIS A 76 -16.745 -30.587 13.781 1.00 3.24 O ATOM 1246 CB HIS A 76 -17.572 -28.326 11.888 1.00 62.11 C ATOM 1247 CG HIS A 76 -17.619 -27.510 10.627 1.00 32.40 C ATOM 1248 ND1 HIS A 76 -18.045 -28.014 9.415 1.00 34.02 N ATOM 1249 CD2 HIS A 76 -17.290 -26.215 10.393 1.00 43.31 C ATOM 1250 CE1 HIS A 76 -17.974 -27.072 8.496 1.00 60.30 C ATOM 1251 NE2 HIS A 76 -17.522 -25.972 9.061 1.00 43.45 N ATOM 0 H HIS A 76 -16.344 -30.139 10.647 1.00 12.25 H new ATOM 0 HA HIS A 76 -15.495 -27.945 12.329 1.00 45.51 H new ATOM 0 HB2 HIS A 76 -18.222 -29.193 11.773 1.00 62.11 H new ATOM 0 HB3 HIS A 76 -17.974 -27.733 12.709 1.00 62.11 H new ATOM 0 HD2 HIS A 76 -16.916 -25.507 11.118 1.00 43.31 H new ATOM 0 HE1 HIS A 76 -18.241 -27.183 7.456 1.00 60.30 H new ATOM 0 HE2 HIS A 76 -17.369 -25.082 8.586 1.00 43.45 H new ATOM 1260 N HIS A 77 -15.593 -28.850 14.632 1.00 63.13 N ATOM 1261 CA HIS A 77 -15.575 -29.369 16.007 1.00 0.30 C ATOM 1262 C HIS A 77 -16.745 -28.792 16.819 1.00 41.23 C ATOM 1263 O HIS A 77 -17.033 -27.596 16.740 1.00 5.11 O ATOM 1264 CB HIS A 77 -14.239 -29.013 16.686 1.00 54.23 C ATOM 1265 CG HIS A 77 -14.082 -29.571 18.070 1.00 55.45 C ATOM 1266 ND1 HIS A 77 -13.365 -30.713 18.340 1.00 22.30 N ATOM 1267 CD2 HIS A 77 -14.540 -29.131 19.268 1.00 1.24 C ATOM 1268 CE1 HIS A 77 -13.389 -30.954 19.633 1.00 72.45 C ATOM 1269 NE2 HIS A 77 -14.095 -30.011 20.223 1.00 32.25 N ATOM 0 H HIS A 77 -15.109 -27.959 14.517 1.00 63.13 H new ATOM 0 HA HIS A 77 -15.681 -30.453 15.969 1.00 0.30 H new ATOM 0 HB2 HIS A 77 -13.421 -29.377 16.065 1.00 54.23 H new ATOM 0 HB3 HIS A 77 -14.146 -27.928 16.732 1.00 54.23 H new ATOM 0 HD2 HIS A 77 -15.143 -28.251 19.439 1.00 1.24 H new ATOM 0 HE1 HIS A 77 -12.910 -31.786 20.128 1.00 72.45 H new ATOM 0 HE2 HIS A 77 -14.280 -29.946 21.224 1.00 32.25 H new ATOM 1278 N HIS A 78 -17.405 -29.640 17.604 1.00 33.12 N ATOM 1279 CA HIS A 78 -18.529 -29.207 18.451 1.00 5.14 C ATOM 1280 C HIS A 78 -18.469 -29.887 19.837 1.00 72.51 C ATOM 1281 O HIS A 78 -17.719 -29.394 20.708 1.00 38.69 O ATOM 1282 CB HIS A 78 -19.861 -29.517 17.747 1.00 22.54 C ATOM 1283 CG HIS A 78 -21.071 -29.056 18.504 1.00 65.24 C ATOM 1284 ND1 HIS A 78 -21.623 -29.774 19.539 1.00 52.52 N ATOM 1285 CD2 HIS A 78 -21.841 -27.951 18.366 1.00 32.22 C ATOM 1286 CE1 HIS A 78 -22.677 -29.139 20.003 1.00 32.45 C ATOM 1287 NE2 HIS A 78 -22.833 -28.030 19.311 1.00 55.32 N ATOM 1288 OXT HIS A 78 -19.151 -30.918 20.039 1.00 38.69 O ATOM 0 H HIS A 78 -17.185 -30.634 17.676 1.00 33.12 H new ATOM 0 HA HIS A 78 -18.456 -28.131 18.607 1.00 5.14 H new ATOM 0 HB2 HIS A 78 -19.859 -29.047 16.764 1.00 22.54 H new ATOM 0 HB3 HIS A 78 -19.934 -30.593 17.586 1.00 22.54 H new ATOM 0 HD1 HIS A 78 -21.269 -30.663 19.893 1.00 52.52 H new ATOM 0 HD2 HIS A 78 -21.701 -27.157 17.648 1.00 32.22 H new ATOM 0 HE1 HIS A 78 -23.308 -29.471 20.814 1.00 32.45 H new TER 1297 HIS A 78