USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=15 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 26 GLN : amide:sc= -1.25! X(o=-0.71!,f=-0.75) USER MOD Set 1.2: A 30 TYR OH : rot 180:sc= 0.544 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.0388 X(o=-0.039,f=-0.44) USER MOD Single : A 7 ASN : amide:sc= -0.0273 X(o=-0.027,f=-0.027) USER MOD Single : A 11 MET CE :methyl 151:sc= -0.399 (180deg=-2.75) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 147:sc= -0.101 (180deg=-1.58) USER MOD Single : A 20 THR OG1 : rot -70:sc= 0.139 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 40 HIS : no HD1:sc= -2 K(o=-2,f=-3.6!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 64:sc= 0.863 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -160:sc= -1.38 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot -170:sc= 0.511 USER MOD Single : A 59 ASN : amide:sc= -0.0311 K(o=-0.031,f=-4.7!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN :FLIP amide:sc= 0 F(o=-0.81,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 171:sc= 0.967 (180deg=0.874) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 HIS : no HD1:sc= -0.219 X(o=-0.22,f=-0.2) USER MOD Single : A 75 HIS : no HD1:sc= -0.0816 K(o=-0.082,f=-0.63) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS : no HD1:sc= -0.172 K(o=-0.17,f=-0.84) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.263 -1.971 6.057 1.00 34.32 N ATOM 2 CA MET A 1 -3.821 -2.931 5.064 1.00 54.12 C ATOM 3 C MET A 1 -2.770 -3.984 4.660 1.00 11.15 C ATOM 4 O MET A 1 -2.981 -5.183 4.839 1.00 73.33 O ATOM 5 CB MET A 1 -4.327 -2.173 3.824 1.00 42.02 C ATOM 6 CG MET A 1 -5.040 -3.053 2.803 1.00 54.24 C ATOM 7 SD MET A 1 -5.603 -2.123 1.362 1.00 53.41 S ATOM 8 CE MET A 1 -6.401 -3.416 0.411 1.00 74.41 C ATOM 0 H1 MET A 1 -3.991 -1.273 6.312 1.00 34.32 H new ATOM 0 H2 MET A 1 -2.965 -2.487 6.909 1.00 34.32 H new ATOM 0 H3 MET A 1 -2.444 -1.482 5.644 1.00 34.32 H new ATOM 0 HA MET A 1 -4.659 -3.454 5.526 1.00 54.12 H new ATOM 0 HB2 MET A 1 -5.007 -1.385 4.146 1.00 42.02 H new ATOM 0 HB3 MET A 1 -3.481 -1.685 3.339 1.00 42.02 H new ATOM 0 HG2 MET A 1 -4.367 -3.846 2.479 1.00 54.24 H new ATOM 0 HG3 MET A 1 -5.895 -3.535 3.277 1.00 54.24 H new ATOM 0 HE1 MET A 1 -6.801 -2.995 -0.512 1.00 74.41 H new ATOM 0 HE2 MET A 1 -5.674 -4.192 0.171 1.00 74.41 H new ATOM 0 HE3 MET A 1 -7.214 -3.848 0.995 1.00 74.41 H new ATOM 20 N ALA A 2 -1.638 -3.528 4.121 1.00 62.32 N ATOM 21 CA ALA A 2 -0.541 -4.428 3.732 1.00 51.03 C ATOM 22 C ALA A 2 0.199 -4.978 4.965 1.00 51.14 C ATOM 23 O ALA A 2 0.153 -4.382 6.044 1.00 75.40 O ATOM 24 CB ALA A 2 0.426 -3.697 2.809 1.00 43.43 C ATOM 0 H ALA A 2 -1.453 -2.541 3.942 1.00 62.32 H new ATOM 0 HA ALA A 2 -0.969 -5.278 3.200 1.00 51.03 H new ATOM 0 HB1 ALA A 2 1.236 -4.369 2.525 1.00 43.43 H new ATOM 0 HB2 ALA A 2 -0.103 -3.368 1.915 1.00 43.43 H new ATOM 0 HB3 ALA A 2 0.838 -2.831 3.326 1.00 43.43 H new ATOM 30 N GLN A 3 0.885 -6.111 4.807 1.00 2.21 N ATOM 31 CA GLN A 3 1.567 -6.758 5.940 1.00 33.52 C ATOM 32 C GLN A 3 2.780 -7.590 5.493 1.00 14.24 C ATOM 33 O GLN A 3 2.797 -8.141 4.392 1.00 34.10 O ATOM 34 CB GLN A 3 0.584 -7.665 6.699 1.00 52.13 C ATOM 35 CG GLN A 3 0.002 -8.793 5.848 1.00 53.12 C ATOM 36 CD GLN A 3 -0.867 -9.757 6.643 1.00 63.43 C ATOM 37 OE1 GLN A 3 -1.493 -9.387 7.630 1.00 23.44 O ATOM 38 NE2 GLN A 3 -0.914 -11.005 6.217 1.00 63.05 N ATOM 0 H GLN A 3 0.986 -6.599 3.917 1.00 2.21 H new ATOM 0 HA GLN A 3 1.928 -5.962 6.592 1.00 33.52 H new ATOM 0 HB2 GLN A 3 1.094 -8.098 7.559 1.00 52.13 H new ATOM 0 HB3 GLN A 3 -0.233 -7.056 7.086 1.00 52.13 H new ATOM 0 HG2 GLN A 3 -0.590 -8.362 5.041 1.00 53.12 H new ATOM 0 HG3 GLN A 3 0.818 -9.347 5.384 1.00 53.12 H new ATOM 0 HE21 GLN A 3 -0.382 -11.283 5.392 1.00 63.05 H new ATOM 0 HE22 GLN A 3 -1.483 -11.692 6.712 1.00 63.05 H new ATOM 47 N ILE A 4 3.789 -7.674 6.357 1.00 24.20 N ATOM 48 CA ILE A 4 4.940 -8.558 6.140 1.00 14.51 C ATOM 49 C ILE A 4 4.955 -9.665 7.206 1.00 72.41 C ATOM 50 O ILE A 4 5.512 -9.497 8.296 1.00 65.22 O ATOM 51 CB ILE A 4 6.284 -7.780 6.174 1.00 14.13 C ATOM 52 CG1 ILE A 4 6.286 -6.662 5.116 1.00 74.42 C ATOM 53 CG2 ILE A 4 7.468 -8.726 5.960 1.00 72.33 C ATOM 54 CD1 ILE A 4 6.137 -7.163 3.693 1.00 70.24 C ATOM 0 H ILE A 4 3.836 -7.137 7.223 1.00 24.20 H new ATOM 0 HA ILE A 4 4.836 -8.998 5.148 1.00 14.51 H new ATOM 0 HB ILE A 4 6.389 -7.325 7.159 1.00 14.13 H new ATOM 0 HG12 ILE A 4 5.474 -5.968 5.333 1.00 74.42 H new ATOM 0 HG13 ILE A 4 7.216 -6.100 5.197 1.00 74.42 H new ATOM 0 HG21 ILE A 4 8.398 -8.158 5.988 1.00 72.33 H new ATOM 0 HG22 ILE A 4 7.479 -9.479 6.748 1.00 72.33 H new ATOM 0 HG23 ILE A 4 7.372 -9.216 4.991 1.00 72.33 H new ATOM 0 HD11 ILE A 4 6.147 -6.317 3.006 1.00 70.24 H new ATOM 0 HD12 ILE A 4 6.963 -7.834 3.455 1.00 70.24 H new ATOM 0 HD13 ILE A 4 5.194 -7.700 3.593 1.00 70.24 H new ATOM 66 N ILE A 5 4.307 -10.789 6.901 1.00 53.24 N ATOM 67 CA ILE A 5 4.181 -11.896 7.853 1.00 71.32 C ATOM 68 C ILE A 5 4.512 -13.246 7.198 1.00 33.35 C ATOM 69 O ILE A 5 3.711 -13.799 6.440 1.00 42.44 O ATOM 70 CB ILE A 5 2.754 -11.955 8.468 1.00 44.24 C ATOM 71 CG1 ILE A 5 2.436 -10.650 9.222 1.00 53.21 C ATOM 72 CG2 ILE A 5 2.614 -13.164 9.398 1.00 14.55 C ATOM 73 CD1 ILE A 5 1.041 -10.606 9.813 1.00 41.52 C ATOM 0 H ILE A 5 3.860 -10.959 6.000 1.00 53.24 H new ATOM 0 HA ILE A 5 4.902 -11.708 8.649 1.00 71.32 H new ATOM 0 HB ILE A 5 2.036 -12.066 7.656 1.00 44.24 H new ATOM 0 HG12 ILE A 5 3.164 -10.518 10.023 1.00 53.21 H new ATOM 0 HG13 ILE A 5 2.557 -9.809 8.540 1.00 53.21 H new ATOM 0 HG21 ILE A 5 1.608 -13.186 9.817 1.00 14.55 H new ATOM 0 HG22 ILE A 5 2.792 -14.080 8.834 1.00 14.55 H new ATOM 0 HG23 ILE A 5 3.342 -13.088 10.206 1.00 14.55 H new ATOM 0 HD11 ILE A 5 0.894 -9.656 10.327 1.00 41.52 H new ATOM 0 HD12 ILE A 5 0.305 -10.705 9.015 1.00 41.52 H new ATOM 0 HD13 ILE A 5 0.920 -11.425 10.522 1.00 41.52 H new ATOM 85 N PHE A 6 5.708 -13.754 7.484 1.00 44.11 N ATOM 86 CA PHE A 6 6.128 -15.082 7.025 1.00 4.21 C ATOM 87 C PHE A 6 7.304 -15.586 7.870 1.00 4.41 C ATOM 88 O PHE A 6 8.451 -15.179 7.666 1.00 1.15 O ATOM 89 CB PHE A 6 6.529 -15.047 5.547 1.00 72.13 C ATOM 90 CG PHE A 6 6.704 -16.415 4.930 1.00 3.41 C ATOM 91 CD1 PHE A 6 5.597 -17.159 4.543 1.00 52.22 C ATOM 92 CD2 PHE A 6 7.968 -16.957 4.734 1.00 53.15 C ATOM 93 CE1 PHE A 6 5.747 -18.409 3.973 1.00 12.32 C ATOM 94 CE2 PHE A 6 8.121 -18.207 4.165 1.00 25.34 C ATOM 95 CZ PHE A 6 7.010 -18.934 3.785 1.00 42.44 C ATOM 0 H PHE A 6 6.411 -13.264 8.036 1.00 44.11 H new ATOM 0 HA PHE A 6 5.285 -15.763 7.139 1.00 4.21 H new ATOM 0 HB2 PHE A 6 5.770 -14.501 4.987 1.00 72.13 H new ATOM 0 HB3 PHE A 6 7.461 -14.491 5.446 1.00 72.13 H new ATOM 0 HD1 PHE A 6 4.606 -16.755 4.689 1.00 52.22 H new ATOM 0 HD2 PHE A 6 8.841 -16.395 5.030 1.00 53.15 H new ATOM 0 HE1 PHE A 6 4.877 -18.975 3.675 1.00 12.32 H new ATOM 0 HE2 PHE A 6 9.110 -18.616 4.017 1.00 25.34 H new ATOM 0 HZ PHE A 6 7.129 -19.912 3.342 1.00 42.44 H new ATOM 105 N ASN A 7 7.015 -16.446 8.839 1.00 4.43 N ATOM 106 CA ASN A 7 8.045 -16.958 9.745 1.00 30.24 C ATOM 107 C ASN A 7 7.952 -18.485 9.896 1.00 63.43 C ATOM 108 O ASN A 7 6.993 -19.009 10.464 1.00 61.25 O ATOM 109 CB ASN A 7 7.906 -16.289 11.115 1.00 2.41 C ATOM 110 CG ASN A 7 7.985 -14.774 11.032 1.00 2.15 C ATOM 111 OD1 ASN A 7 9.056 -14.186 11.127 1.00 25.14 O ATOM 112 ND2 ASN A 7 6.850 -14.126 10.853 1.00 62.03 N ATOM 0 H ASN A 7 6.078 -16.805 9.020 1.00 4.43 H new ATOM 0 HA ASN A 7 9.020 -16.722 9.318 1.00 30.24 H new ATOM 0 HB2 ASN A 7 6.954 -16.576 11.561 1.00 2.41 H new ATOM 0 HB3 ASN A 7 8.691 -16.655 11.776 1.00 2.41 H new ATOM 0 HD21 ASN A 7 6.848 -13.108 10.790 1.00 62.03 H new ATOM 0 HD22 ASN A 7 5.974 -14.643 10.777 1.00 62.03 H new ATOM 119 N GLU A 8 8.947 -19.199 9.379 1.00 11.53 N ATOM 120 CA GLU A 8 8.998 -20.651 9.517 1.00 20.25 C ATOM 121 C GLU A 8 9.399 -21.042 10.946 1.00 51.43 C ATOM 122 O GLU A 8 10.569 -21.311 11.230 1.00 40.03 O ATOM 123 CB GLU A 8 9.966 -21.274 8.491 1.00 62.11 C ATOM 124 CG GLU A 8 9.619 -20.965 7.027 1.00 62.02 C ATOM 125 CD GLU A 8 10.365 -19.756 6.470 1.00 22.51 C ATOM 126 OE1 GLU A 8 10.308 -18.671 7.084 1.00 62.01 O ATOM 127 OE2 GLU A 8 11.015 -19.884 5.410 1.00 55.40 O ATOM 0 H GLU A 8 9.728 -18.797 8.861 1.00 11.53 H new ATOM 0 HA GLU A 8 8.001 -21.043 9.317 1.00 20.25 H new ATOM 0 HB2 GLU A 8 10.975 -20.916 8.697 1.00 62.11 H new ATOM 0 HB3 GLU A 8 9.977 -22.355 8.629 1.00 62.11 H new ATOM 0 HG2 GLU A 8 9.848 -21.837 6.415 1.00 62.02 H new ATOM 0 HG3 GLU A 8 8.546 -20.790 6.945 1.00 62.02 H new ATOM 134 N GLU A 9 8.419 -21.023 11.847 1.00 75.32 N ATOM 135 CA GLU A 9 8.644 -21.378 13.252 1.00 14.23 C ATOM 136 C GLU A 9 9.113 -22.833 13.407 1.00 44.53 C ATOM 137 O GLU A 9 8.351 -23.773 13.173 1.00 53.12 O ATOM 138 CB GLU A 9 7.368 -21.158 14.081 1.00 1.20 C ATOM 139 CG GLU A 9 6.921 -19.701 14.163 1.00 70.41 C ATOM 140 CD GLU A 9 5.707 -19.507 15.064 1.00 34.33 C ATOM 141 OE1 GLU A 9 5.858 -19.589 16.304 1.00 35.42 O ATOM 142 OE2 GLU A 9 4.599 -19.267 14.545 1.00 51.22 O ATOM 0 H GLU A 9 7.456 -20.765 11.630 1.00 75.32 H new ATOM 0 HA GLU A 9 9.434 -20.724 13.622 1.00 14.23 H new ATOM 0 HB2 GLU A 9 6.561 -21.751 13.650 1.00 1.20 H new ATOM 0 HB3 GLU A 9 7.535 -21.533 15.091 1.00 1.20 H new ATOM 0 HG2 GLU A 9 7.745 -19.093 14.535 1.00 70.41 H new ATOM 0 HG3 GLU A 9 6.686 -19.341 13.161 1.00 70.41 H new ATOM 149 N TRP A 10 10.378 -23.008 13.783 1.00 11.13 N ATOM 150 CA TRP A 10 10.913 -24.332 14.113 1.00 15.25 C ATOM 151 C TRP A 10 10.631 -24.674 15.583 1.00 64.51 C ATOM 152 O TRP A 10 10.805 -23.833 16.469 1.00 13.01 O ATOM 153 CB TRP A 10 12.425 -24.389 13.855 1.00 35.01 C ATOM 154 CG TRP A 10 12.798 -24.250 12.412 1.00 42.32 C ATOM 155 CD1 TRP A 10 13.125 -23.100 11.755 1.00 31.42 C ATOM 156 CD2 TRP A 10 12.884 -25.304 11.447 1.00 55.53 C ATOM 157 NE1 TRP A 10 13.407 -23.375 10.439 1.00 32.45 N ATOM 158 CE2 TRP A 10 13.270 -24.720 10.226 1.00 74.24 C ATOM 159 CE3 TRP A 10 12.676 -26.685 11.499 1.00 33.10 C ATOM 160 CZ2 TRP A 10 13.449 -25.469 9.067 1.00 72.32 C ATOM 161 CZ3 TRP A 10 12.855 -27.427 10.349 1.00 25.50 C ATOM 162 CH2 TRP A 10 13.239 -26.819 9.147 1.00 55.01 C ATOM 0 H TRP A 10 11.055 -22.250 13.868 1.00 11.13 H new ATOM 0 HA TRP A 10 10.418 -25.062 13.473 1.00 15.25 H new ATOM 0 HB2 TRP A 10 12.911 -23.597 14.424 1.00 35.01 H new ATOM 0 HB3 TRP A 10 12.813 -25.336 14.231 1.00 35.01 H new ATOM 0 HD1 TRP A 10 13.157 -22.118 12.203 1.00 31.42 H new ATOM 0 HE1 TRP A 10 13.675 -22.688 9.734 1.00 32.45 H new ATOM 0 HE3 TRP A 10 12.381 -27.163 12.422 1.00 33.10 H new ATOM 0 HZ2 TRP A 10 13.743 -25.002 8.138 1.00 72.32 H new ATOM 0 HZ3 TRP A 10 12.696 -28.495 10.376 1.00 25.50 H new ATOM 0 HH2 TRP A 10 13.372 -27.428 8.265 1.00 55.01 H new ATOM 173 N MET A 11 10.204 -25.907 15.838 1.00 35.51 N ATOM 174 CA MET A 11 9.895 -26.351 17.201 1.00 55.24 C ATOM 175 C MET A 11 10.052 -27.869 17.353 1.00 31.34 C ATOM 176 O MET A 11 9.948 -28.618 16.380 1.00 31.42 O ATOM 177 CB MET A 11 8.469 -25.924 17.578 1.00 4.32 C ATOM 178 CG MET A 11 7.394 -26.444 16.625 1.00 75.33 C ATOM 179 SD MET A 11 5.757 -25.783 16.992 1.00 30.13 S ATOM 180 CE MET A 11 6.033 -24.031 16.732 1.00 11.43 C ATOM 0 H MET A 11 10.063 -26.619 15.122 1.00 35.51 H new ATOM 0 HA MET A 11 10.607 -25.878 17.877 1.00 55.24 H new ATOM 0 HB2 MET A 11 8.249 -26.277 18.585 1.00 4.32 H new ATOM 0 HB3 MET A 11 8.421 -24.835 17.604 1.00 4.32 H new ATOM 0 HG2 MET A 11 7.665 -26.184 15.602 1.00 75.33 H new ATOM 0 HG3 MET A 11 7.362 -27.532 16.679 1.00 75.33 H new ATOM 0 HE1 MET A 11 5.104 -23.560 16.412 1.00 11.43 H new ATOM 0 HE2 MET A 11 6.370 -23.574 17.662 1.00 11.43 H new ATOM 0 HE3 MET A 11 6.793 -23.893 15.963 1.00 11.43 H new ATOM 190 N VAL A 12 10.309 -28.317 18.580 1.00 45.20 N ATOM 191 CA VAL A 12 10.436 -29.749 18.865 1.00 73.14 C ATOM 192 C VAL A 12 9.073 -30.461 18.786 1.00 33.00 C ATOM 193 O VAL A 12 8.022 -29.817 18.781 1.00 1.20 O ATOM 194 CB VAL A 12 11.074 -29.996 20.257 1.00 62.14 C ATOM 195 CG1 VAL A 12 12.484 -29.404 20.318 1.00 42.14 C ATOM 196 CG2 VAL A 12 10.189 -29.430 21.371 1.00 70.53 C ATOM 0 H VAL A 12 10.434 -27.713 19.392 1.00 45.20 H new ATOM 0 HA VAL A 12 11.093 -30.166 18.101 1.00 73.14 H new ATOM 0 HB VAL A 12 11.154 -31.072 20.410 1.00 62.14 H new ATOM 0 HG11 VAL A 12 12.914 -29.588 21.303 1.00 42.14 H new ATOM 0 HG12 VAL A 12 13.108 -29.872 19.557 1.00 42.14 H new ATOM 0 HG13 VAL A 12 12.436 -28.330 20.138 1.00 42.14 H new ATOM 0 HG21 VAL A 12 10.657 -29.615 22.338 1.00 70.53 H new ATOM 0 HG22 VAL A 12 10.066 -28.357 21.228 1.00 70.53 H new ATOM 0 HG23 VAL A 12 9.213 -29.915 21.342 1.00 70.53 H new ATOM 206 N GLU A 13 9.103 -31.789 18.746 1.00 20.24 N ATOM 207 CA GLU A 13 7.886 -32.600 18.595 1.00 43.21 C ATOM 208 C GLU A 13 6.867 -32.324 19.715 1.00 22.20 C ATOM 209 O GLU A 13 5.667 -32.165 19.460 1.00 63.40 O ATOM 210 CB GLU A 13 8.270 -34.084 18.575 1.00 75.23 C ATOM 211 CG GLU A 13 7.113 -35.040 18.302 1.00 51.13 C ATOM 212 CD GLU A 13 7.587 -36.474 18.150 1.00 3.34 C ATOM 213 OE1 GLU A 13 7.681 -37.185 19.175 1.00 74.11 O ATOM 214 OE2 GLU A 13 7.895 -36.884 17.008 1.00 21.45 O ATOM 0 H GLU A 13 9.961 -32.336 18.816 1.00 20.24 H new ATOM 0 HA GLU A 13 7.407 -32.327 17.655 1.00 43.21 H new ATOM 0 HB2 GLU A 13 9.036 -34.236 17.815 1.00 75.23 H new ATOM 0 HB3 GLU A 13 8.718 -34.342 19.535 1.00 75.23 H new ATOM 0 HG2 GLU A 13 6.393 -34.980 19.118 1.00 51.13 H new ATOM 0 HG3 GLU A 13 6.593 -34.731 17.395 1.00 51.13 H new ATOM 221 N LYS A 14 7.356 -32.245 20.951 1.00 71.33 N ATOM 222 CA LYS A 14 6.502 -31.975 22.113 1.00 71.13 C ATOM 223 C LYS A 14 5.854 -30.582 22.026 1.00 23.45 C ATOM 224 O LYS A 14 4.727 -30.384 22.475 1.00 53.21 O ATOM 225 CB LYS A 14 7.322 -32.131 23.406 1.00 31.01 C ATOM 226 CG LYS A 14 6.503 -32.049 24.697 1.00 24.44 C ATOM 227 CD LYS A 14 6.411 -30.625 25.246 1.00 2.21 C ATOM 228 CE LYS A 14 7.766 -30.113 25.725 1.00 13.13 C ATOM 229 NZ LYS A 14 7.663 -28.782 26.379 1.00 44.13 N ATOM 0 H LYS A 14 8.343 -32.364 21.177 1.00 71.33 H new ATOM 0 HA LYS A 14 5.689 -32.701 22.123 1.00 71.13 H new ATOM 0 HB2 LYS A 14 7.838 -33.091 23.379 1.00 31.01 H new ATOM 0 HB3 LYS A 14 8.089 -31.357 23.429 1.00 31.01 H new ATOM 0 HG2 LYS A 14 5.498 -32.428 24.510 1.00 24.44 H new ATOM 0 HG3 LYS A 14 6.953 -32.696 25.450 1.00 24.44 H new ATOM 0 HD2 LYS A 14 6.025 -29.962 24.472 1.00 2.21 H new ATOM 0 HD3 LYS A 14 5.700 -30.599 26.072 1.00 2.21 H new ATOM 0 HE2 LYS A 14 8.196 -30.828 26.426 1.00 13.13 H new ATOM 0 HE3 LYS A 14 8.448 -30.048 24.878 1.00 13.13 H new ATOM 0 HZ1 LYS A 14 8.607 -28.473 26.688 1.00 44.13 H new ATOM 0 HZ2 LYS A 14 7.277 -28.092 25.703 1.00 44.13 H new ATOM 0 HZ3 LYS A 14 7.033 -28.848 27.204 1.00 44.13 H new ATOM 243 N ALA A 15 6.561 -29.623 21.434 1.00 0.43 N ATOM 244 CA ALA A 15 6.020 -28.271 21.247 1.00 73.10 C ATOM 245 C ALA A 15 5.043 -28.224 20.063 1.00 32.24 C ATOM 246 O ALA A 15 4.030 -27.519 20.101 1.00 30.33 O ATOM 247 CB ALA A 15 7.155 -27.270 21.047 1.00 73.22 C ATOM 0 H ALA A 15 7.507 -29.752 21.075 1.00 0.43 H new ATOM 0 HA ALA A 15 5.468 -27.999 22.146 1.00 73.10 H new ATOM 0 HB1 ALA A 15 6.740 -26.272 20.910 1.00 73.22 H new ATOM 0 HB2 ALA A 15 7.804 -27.276 21.923 1.00 73.22 H new ATOM 0 HB3 ALA A 15 7.733 -27.547 20.165 1.00 73.22 H new ATOM 253 N LEU A 16 5.351 -29.000 19.025 1.00 5.03 N ATOM 254 CA LEU A 16 4.523 -29.060 17.817 1.00 22.20 C ATOM 255 C LEU A 16 3.123 -29.613 18.135 1.00 31.42 C ATOM 256 O LEU A 16 2.110 -29.061 17.695 1.00 42.43 O ATOM 257 CB LEU A 16 5.234 -29.920 16.749 1.00 25.44 C ATOM 258 CG LEU A 16 4.635 -29.901 15.324 1.00 53.24 C ATOM 259 CD1 LEU A 16 3.399 -30.797 15.215 1.00 32.51 C ATOM 260 CD2 LEU A 16 4.315 -28.468 14.892 1.00 2.44 C ATOM 0 H LEU A 16 6.174 -29.601 18.995 1.00 5.03 H new ATOM 0 HA LEU A 16 4.390 -28.051 17.426 1.00 22.20 H new ATOM 0 HB2 LEU A 16 6.272 -29.592 16.685 1.00 25.44 H new ATOM 0 HB3 LEU A 16 5.247 -30.953 17.098 1.00 25.44 H new ATOM 0 HG LEU A 16 5.386 -30.305 14.645 1.00 53.24 H new ATOM 0 HD11 LEU A 16 3.008 -30.756 14.198 1.00 32.51 H new ATOM 0 HD12 LEU A 16 3.672 -31.824 15.458 1.00 32.51 H new ATOM 0 HD13 LEU A 16 2.636 -30.450 15.911 1.00 32.51 H new ATOM 0 HD21 LEU A 16 3.894 -28.476 13.886 1.00 2.44 H new ATOM 0 HD22 LEU A 16 3.594 -28.032 15.583 1.00 2.44 H new ATOM 0 HD23 LEU A 16 5.229 -27.874 14.898 1.00 2.44 H new ATOM 272 N MET A 17 3.066 -30.707 18.901 1.00 4.41 N ATOM 273 CA MET A 17 1.779 -31.302 19.292 1.00 72.23 C ATOM 274 C MET A 17 0.917 -30.307 20.090 1.00 30.43 C ATOM 275 O MET A 17 -0.304 -30.297 19.968 1.00 55.25 O ATOM 276 CB MET A 17 1.991 -32.593 20.099 1.00 4.34 C ATOM 277 CG MET A 17 2.759 -32.401 21.398 1.00 32.21 C ATOM 278 SD MET A 17 2.949 -33.933 22.333 1.00 20.21 S ATOM 279 CE MET A 17 3.894 -34.931 21.180 1.00 35.24 C ATOM 0 H MET A 17 3.886 -31.196 19.261 1.00 4.41 H new ATOM 0 HA MET A 17 1.245 -31.551 18.375 1.00 72.23 H new ATOM 0 HB2 MET A 17 1.018 -33.029 20.327 1.00 4.34 H new ATOM 0 HB3 MET A 17 2.525 -33.312 19.478 1.00 4.34 H new ATOM 0 HG2 MET A 17 3.745 -31.993 21.175 1.00 32.21 H new ATOM 0 HG3 MET A 17 2.242 -31.666 22.015 1.00 32.21 H new ATOM 0 HE1 MET A 17 4.564 -35.590 21.733 1.00 35.24 H new ATOM 0 HE2 MET A 17 3.214 -35.530 20.575 1.00 35.24 H new ATOM 0 HE3 MET A 17 4.480 -34.280 20.531 1.00 35.24 H new ATOM 289 N VAL A 18 1.560 -29.458 20.894 1.00 73.13 N ATOM 290 CA VAL A 18 0.845 -28.430 21.663 1.00 74.32 C ATOM 291 C VAL A 18 0.271 -27.341 20.738 1.00 3.33 C ATOM 292 O VAL A 18 -0.849 -26.867 20.938 1.00 22.41 O ATOM 293 CB VAL A 18 1.768 -27.772 22.723 1.00 14.24 C ATOM 294 CG1 VAL A 18 1.024 -26.695 23.516 1.00 44.15 C ATOM 295 CG2 VAL A 18 2.351 -28.830 23.659 1.00 13.24 C ATOM 0 H VAL A 18 2.571 -29.459 21.031 1.00 73.13 H new ATOM 0 HA VAL A 18 0.023 -28.931 22.175 1.00 74.32 H new ATOM 0 HB VAL A 18 2.590 -27.287 22.197 1.00 14.24 H new ATOM 0 HG11 VAL A 18 1.698 -26.253 24.250 1.00 44.15 H new ATOM 0 HG12 VAL A 18 0.671 -25.920 22.835 1.00 44.15 H new ATOM 0 HG13 VAL A 18 0.173 -27.143 24.028 1.00 44.15 H new ATOM 0 HG21 VAL A 18 2.995 -28.349 24.395 1.00 13.24 H new ATOM 0 HG22 VAL A 18 1.541 -29.350 24.170 1.00 13.24 H new ATOM 0 HG23 VAL A 18 2.933 -29.547 23.080 1.00 13.24 H new ATOM 305 N ARG A 19 1.046 -26.950 19.727 1.00 22.21 N ATOM 306 CA ARG A 19 0.604 -25.955 18.735 1.00 24.12 C ATOM 307 C ARG A 19 -0.563 -26.474 17.874 1.00 55.11 C ATOM 308 O ARG A 19 -1.536 -25.761 17.629 1.00 63.52 O ATOM 309 CB ARG A 19 1.773 -25.584 17.811 1.00 75.03 C ATOM 310 CG ARG A 19 2.859 -24.732 18.460 1.00 71.15 C ATOM 311 CD ARG A 19 2.451 -23.266 18.581 1.00 42.31 C ATOM 312 NE ARG A 19 3.581 -22.433 18.985 1.00 32.21 N ATOM 313 CZ ARG A 19 4.079 -21.457 18.272 1.00 32.12 C ATOM 314 NH1 ARG A 19 3.508 -21.064 17.174 1.00 4.23 N ATOM 315 NH2 ARG A 19 5.140 -20.851 18.684 1.00 2.45 N ATOM 0 H ARG A 19 1.989 -27.306 19.568 1.00 22.21 H new ATOM 0 HA ARG A 19 0.260 -25.081 19.288 1.00 24.12 H new ATOM 0 HB2 ARG A 19 2.227 -26.502 17.437 1.00 75.03 H new ATOM 0 HB3 ARG A 19 1.379 -25.048 16.948 1.00 75.03 H new ATOM 0 HG2 ARG A 19 3.084 -25.127 19.451 1.00 71.15 H new ATOM 0 HG3 ARG A 19 3.774 -24.805 17.872 1.00 71.15 H new ATOM 0 HD2 ARG A 19 2.061 -22.915 17.626 1.00 42.31 H new ATOM 0 HD3 ARG A 19 1.646 -23.169 19.309 1.00 42.31 H new ATOM 0 HE ARG A 19 4.013 -22.627 19.889 1.00 32.21 H new ATOM 0 HH11 ARG A 19 2.654 -21.519 16.852 1.00 4.23 H new ATOM 0 HH12 ARG A 19 3.914 -20.300 16.633 1.00 4.23 H new ATOM 0 HH21 ARG A 19 5.582 -21.135 19.558 1.00 2.45 H new ATOM 0 HH22 ARG A 19 5.537 -20.088 18.136 1.00 2.45 H new ATOM 329 N THR A 20 -0.447 -27.717 17.415 1.00 53.12 N ATOM 330 CA THR A 20 -1.391 -28.285 16.439 1.00 50.13 C ATOM 331 C THR A 20 -2.542 -29.064 17.098 1.00 33.24 C ATOM 332 O THR A 20 -3.618 -29.209 16.513 1.00 53.43 O ATOM 333 CB THR A 20 -0.654 -29.228 15.464 1.00 11.21 C ATOM 334 OG1 THR A 20 -0.043 -30.303 16.201 1.00 71.31 O ATOM 335 CG2 THR A 20 0.414 -28.476 14.671 1.00 3.14 C ATOM 0 H THR A 20 0.293 -28.358 17.701 1.00 53.12 H new ATOM 0 HA THR A 20 -1.821 -27.437 15.906 1.00 50.13 H new ATOM 0 HB THR A 20 -1.382 -29.630 14.760 1.00 11.21 H new ATOM 0 HG1 THR A 20 0.712 -29.956 16.721 1.00 71.31 H new ATOM 0 HG21 THR A 20 0.916 -29.166 13.993 1.00 3.14 H new ATOM 0 HG22 THR A 20 -0.055 -27.678 14.095 1.00 3.14 H new ATOM 0 HG23 THR A 20 1.143 -28.047 15.358 1.00 3.14 H new ATOM 343 N GLY A 21 -2.310 -29.571 18.304 1.00 20.22 N ATOM 344 CA GLY A 21 -3.324 -30.361 19.002 1.00 52.20 C ATOM 345 C GLY A 21 -3.174 -31.866 18.778 1.00 74.20 C ATOM 346 O GLY A 21 -3.980 -32.656 19.269 1.00 12.04 O ATOM 0 H GLY A 21 -1.437 -29.452 18.817 1.00 20.22 H new ATOM 0 HA2 GLY A 21 -3.267 -30.152 20.070 1.00 52.20 H new ATOM 0 HA3 GLY A 21 -4.313 -30.047 18.668 1.00 52.20 H new ATOM 350 N LEU A 22 -2.140 -32.259 18.035 1.00 14.41 N ATOM 351 CA LEU A 22 -1.880 -33.673 17.738 1.00 53.14 C ATOM 352 C LEU A 22 -1.304 -34.426 18.953 1.00 14.50 C ATOM 353 O LEU A 22 -0.995 -33.833 19.987 1.00 45.43 O ATOM 354 CB LEU A 22 -0.914 -33.796 16.544 1.00 54.52 C ATOM 355 CG LEU A 22 -1.550 -33.655 15.145 1.00 41.32 C ATOM 356 CD1 LEU A 22 -2.348 -32.360 15.013 1.00 3.13 C ATOM 357 CD2 LEU A 22 -0.474 -33.733 14.063 1.00 24.13 C ATOM 0 H LEU A 22 -1.463 -31.616 17.624 1.00 14.41 H new ATOM 0 HA LEU A 22 -2.837 -34.131 17.487 1.00 53.14 H new ATOM 0 HB2 LEU A 22 -0.140 -33.036 16.648 1.00 54.52 H new ATOM 0 HB3 LEU A 22 -0.419 -34.765 16.601 1.00 54.52 H new ATOM 0 HG LEU A 22 -2.247 -34.483 15.014 1.00 41.32 H new ATOM 0 HD11 LEU A 22 -2.779 -32.299 14.014 1.00 3.13 H new ATOM 0 HD12 LEU A 22 -3.147 -32.348 15.755 1.00 3.13 H new ATOM 0 HD13 LEU A 22 -1.688 -31.508 15.176 1.00 3.13 H new ATOM 0 HD21 LEU A 22 -0.937 -33.632 13.081 1.00 24.13 H new ATOM 0 HD22 LEU A 22 0.247 -32.929 14.208 1.00 24.13 H new ATOM 0 HD23 LEU A 22 0.037 -34.694 14.126 1.00 24.13 H new ATOM 369 N GLY A 23 -1.166 -35.743 18.814 1.00 42.41 N ATOM 370 CA GLY A 23 -0.567 -36.563 19.865 1.00 20.14 C ATOM 371 C GLY A 23 0.597 -37.406 19.350 1.00 34.13 C ATOM 372 O GLY A 23 0.805 -37.502 18.141 1.00 11.23 O ATOM 0 H GLY A 23 -1.460 -36.264 17.987 1.00 42.41 H new ATOM 0 HA2 GLY A 23 -0.217 -35.918 20.671 1.00 20.14 H new ATOM 0 HA3 GLY A 23 -1.328 -37.218 20.289 1.00 20.14 H new ATOM 376 N ALA A 24 1.338 -38.038 20.260 1.00 42.14 N ATOM 377 CA ALA A 24 2.532 -38.818 19.894 1.00 50.05 C ATOM 378 C ALA A 24 2.226 -39.884 18.827 1.00 13.43 C ATOM 379 O ALA A 24 2.901 -39.961 17.798 1.00 15.32 O ATOM 380 CB ALA A 24 3.133 -39.469 21.137 1.00 21.22 C ATOM 0 H ALA A 24 1.136 -38.028 21.260 1.00 42.14 H new ATOM 0 HA ALA A 24 3.255 -38.127 19.460 1.00 50.05 H new ATOM 0 HB1 ALA A 24 4.016 -40.044 20.856 1.00 21.22 H new ATOM 0 HB2 ALA A 24 3.416 -38.696 21.852 1.00 21.22 H new ATOM 0 HB3 ALA A 24 2.398 -40.133 21.592 1.00 21.22 H new ATOM 386 N ARG A 25 1.191 -40.688 19.071 1.00 72.32 N ATOM 387 CA ARG A 25 0.820 -41.772 18.151 1.00 24.20 C ATOM 388 C ARG A 25 0.356 -41.235 16.787 1.00 71.35 C ATOM 389 O ARG A 25 0.507 -41.902 15.759 1.00 45.20 O ATOM 390 CB ARG A 25 -0.274 -42.653 18.768 1.00 24.14 C ATOM 391 CG ARG A 25 0.181 -43.435 19.995 1.00 72.53 C ATOM 392 CD ARG A 25 -0.893 -44.413 20.457 1.00 43.32 C ATOM 393 NE ARG A 25 -1.335 -45.288 19.369 1.00 1.02 N ATOM 394 CZ ARG A 25 -2.382 -46.067 19.423 1.00 43.33 C ATOM 395 NH1 ARG A 25 -3.058 -46.204 20.522 1.00 14.21 N ATOM 396 NH2 ARG A 25 -2.733 -46.737 18.376 1.00 32.32 N ATOM 0 H ARG A 25 0.594 -40.612 19.895 1.00 72.32 H new ATOM 0 HA ARG A 25 1.714 -42.373 17.985 1.00 24.20 H new ATOM 0 HB2 ARG A 25 -1.121 -42.024 19.044 1.00 24.14 H new ATOM 0 HB3 ARG A 25 -0.630 -43.355 18.014 1.00 24.14 H new ATOM 0 HG2 ARG A 25 1.096 -43.979 19.763 1.00 72.53 H new ATOM 0 HG3 ARG A 25 0.418 -42.743 20.803 1.00 72.53 H new ATOM 0 HD2 ARG A 25 -0.505 -45.019 21.276 1.00 43.32 H new ATOM 0 HD3 ARG A 25 -1.746 -43.858 20.847 1.00 43.32 H new ATOM 0 HE ARG A 25 -0.787 -45.289 18.509 1.00 1.02 H new ATOM 0 HH11 ARG A 25 -2.774 -45.699 21.362 1.00 14.21 H new ATOM 0 HH12 ARG A 25 -3.873 -46.817 20.546 1.00 14.21 H new ATOM 0 HH21 ARG A 25 -2.194 -46.656 17.514 1.00 32.32 H new ATOM 0 HH22 ARG A 25 -3.550 -47.347 18.411 1.00 32.32 H new ATOM 410 N GLN A 26 -0.218 -40.036 16.780 1.00 40.22 N ATOM 411 CA GLN A 26 -0.653 -39.399 15.532 1.00 40.14 C ATOM 412 C GLN A 26 0.547 -38.817 14.768 1.00 30.40 C ATOM 413 O GLN A 26 0.654 -38.963 13.551 1.00 63.32 O ATOM 414 CB GLN A 26 -1.683 -38.298 15.827 1.00 65.04 C ATOM 415 CG GLN A 26 -2.420 -37.780 14.593 1.00 24.22 C ATOM 416 CD GLN A 26 -3.470 -36.736 14.935 1.00 64.31 C ATOM 417 OE1 GLN A 26 -4.024 -36.728 16.029 1.00 62.40 O ATOM 418 NE2 GLN A 26 -3.770 -35.862 13.998 1.00 72.12 N ATOM 0 H GLN A 26 -0.394 -39.484 17.619 1.00 40.22 H new ATOM 0 HA GLN A 26 -1.120 -40.159 14.905 1.00 40.14 H new ATOM 0 HB2 GLN A 26 -2.414 -38.682 16.538 1.00 65.04 H new ATOM 0 HB3 GLN A 26 -1.176 -37.463 16.311 1.00 65.04 H new ATOM 0 HG2 GLN A 26 -1.699 -37.351 13.897 1.00 24.22 H new ATOM 0 HG3 GLN A 26 -2.897 -38.616 14.082 1.00 24.22 H new ATOM 0 HE21 GLN A 26 -3.291 -35.895 13.098 1.00 72.12 H new ATOM 0 HE22 GLN A 26 -4.481 -35.152 14.172 1.00 72.12 H new ATOM 427 N ILE A 27 1.460 -38.170 15.494 1.00 54.22 N ATOM 428 CA ILE A 27 2.648 -37.563 14.882 1.00 25.11 C ATOM 429 C ILE A 27 3.561 -38.622 14.241 1.00 73.10 C ATOM 430 O ILE A 27 3.964 -38.474 13.088 1.00 41.53 O ATOM 431 CB ILE A 27 3.463 -36.725 15.905 1.00 31.23 C ATOM 432 CG1 ILE A 27 2.614 -35.556 16.433 1.00 30.44 C ATOM 433 CG2 ILE A 27 4.760 -36.210 15.275 1.00 30.24 C ATOM 434 CD1 ILE A 27 3.337 -34.672 17.431 1.00 74.03 C ATOM 0 H ILE A 27 1.402 -38.052 16.505 1.00 54.22 H new ATOM 0 HA ILE A 27 2.282 -36.896 14.101 1.00 25.11 H new ATOM 0 HB ILE A 27 3.728 -37.368 16.744 1.00 31.23 H new ATOM 0 HG12 ILE A 27 2.290 -34.946 15.590 1.00 30.44 H new ATOM 0 HG13 ILE A 27 1.715 -35.956 16.902 1.00 30.44 H new ATOM 0 HG21 ILE A 27 5.314 -35.626 16.010 1.00 30.24 H new ATOM 0 HG22 ILE A 27 5.367 -37.055 14.950 1.00 30.24 H new ATOM 0 HG23 ILE A 27 4.523 -35.582 14.416 1.00 30.24 H new ATOM 0 HD11 ILE A 27 2.673 -33.871 17.756 1.00 74.03 H new ATOM 0 HD12 ILE A 27 3.637 -35.267 18.293 1.00 74.03 H new ATOM 0 HD13 ILE A 27 4.221 -34.241 16.962 1.00 74.03 H new ATOM 446 N GLU A 28 3.875 -39.692 14.980 1.00 31.02 N ATOM 447 CA GLU A 28 4.731 -40.768 14.446 1.00 51.41 C ATOM 448 C GLU A 28 4.193 -41.300 13.106 1.00 15.34 C ATOM 449 O GLU A 28 4.965 -41.656 12.213 1.00 23.41 O ATOM 450 CB GLU A 28 4.877 -41.920 15.454 1.00 5.14 C ATOM 451 CG GLU A 28 3.562 -42.593 15.836 1.00 12.24 C ATOM 452 CD GLU A 28 3.753 -43.819 16.715 1.00 43.34 C ATOM 453 OE1 GLU A 28 4.266 -43.675 17.844 1.00 75.13 O ATOM 454 OE2 GLU A 28 3.380 -44.935 16.285 1.00 3.14 O ATOM 0 H GLU A 28 3.556 -39.839 15.938 1.00 31.02 H new ATOM 0 HA GLU A 28 5.717 -40.337 14.273 1.00 51.41 H new ATOM 0 HB2 GLU A 28 5.547 -42.671 15.035 1.00 5.14 H new ATOM 0 HB3 GLU A 28 5.352 -41.538 16.358 1.00 5.14 H new ATOM 0 HG2 GLU A 28 2.931 -41.874 16.358 1.00 12.24 H new ATOM 0 HG3 GLU A 28 3.032 -42.883 14.929 1.00 12.24 H new ATOM 461 N SER A 29 2.866 -41.336 12.973 1.00 54.41 N ATOM 462 CA SER A 29 2.222 -41.713 11.706 1.00 31.33 C ATOM 463 C SER A 29 2.572 -40.711 10.602 1.00 50.20 C ATOM 464 O SER A 29 3.015 -41.088 9.517 1.00 10.23 O ATOM 465 CB SER A 29 0.696 -41.781 11.872 1.00 54.02 C ATOM 466 OG SER A 29 0.053 -42.061 10.636 1.00 51.33 O ATOM 0 H SER A 29 2.214 -41.110 13.724 1.00 54.41 H new ATOM 0 HA SER A 29 2.593 -42.698 11.423 1.00 31.33 H new ATOM 0 HB2 SER A 29 0.441 -42.552 12.599 1.00 54.02 H new ATOM 0 HB3 SER A 29 0.329 -40.835 12.269 1.00 54.02 H new ATOM 0 HG SER A 29 -0.917 -42.100 10.773 1.00 51.33 H new ATOM 472 N TYR A 30 2.385 -39.427 10.898 1.00 3.11 N ATOM 473 CA TYR A 30 2.712 -38.352 9.952 1.00 32.32 C ATOM 474 C TYR A 30 4.205 -38.372 9.572 1.00 73.54 C ATOM 475 O TYR A 30 4.570 -38.089 8.431 1.00 54.13 O ATOM 476 CB TYR A 30 2.347 -36.984 10.548 1.00 52.24 C ATOM 477 CG TYR A 30 0.853 -36.726 10.697 1.00 72.24 C ATOM 478 CD1 TYR A 30 -0.046 -37.764 10.929 1.00 55.34 C ATOM 479 CD2 TYR A 30 0.345 -35.431 10.614 1.00 1.21 C ATOM 480 CE1 TYR A 30 -1.398 -37.523 11.070 1.00 10.00 C ATOM 481 CE2 TYR A 30 -1.007 -35.184 10.757 1.00 62.04 C ATOM 482 CZ TYR A 30 -1.874 -36.233 10.986 1.00 53.23 C ATOM 483 OH TYR A 30 -3.221 -35.991 11.135 1.00 22.04 O ATOM 0 H TYR A 30 2.008 -39.100 11.788 1.00 3.11 H new ATOM 0 HA TYR A 30 2.126 -38.520 9.048 1.00 32.32 H new ATOM 0 HB2 TYR A 30 2.816 -36.894 11.528 1.00 52.24 H new ATOM 0 HB3 TYR A 30 2.774 -36.204 9.918 1.00 52.24 H new ATOM 0 HD1 TYR A 30 0.322 -38.777 11.000 1.00 55.34 H new ATOM 0 HD2 TYR A 30 1.019 -34.607 10.435 1.00 1.21 H new ATOM 0 HE1 TYR A 30 -2.080 -38.342 11.245 1.00 10.00 H new ATOM 0 HE2 TYR A 30 -1.384 -34.174 10.690 1.00 62.04 H new ATOM 0 HH TYR A 30 -3.392 -35.030 11.050 1.00 22.04 H new ATOM 493 N ARG A 31 5.062 -38.722 10.533 1.00 23.21 N ATOM 494 CA ARG A 31 6.512 -38.783 10.303 1.00 74.20 C ATOM 495 C ARG A 31 6.868 -39.829 9.233 1.00 53.42 C ATOM 496 O ARG A 31 7.949 -39.790 8.648 1.00 31.14 O ATOM 497 CB ARG A 31 7.245 -39.101 11.617 1.00 42.44 C ATOM 498 CG ARG A 31 6.980 -38.089 12.730 1.00 31.11 C ATOM 499 CD ARG A 31 7.688 -38.456 14.033 1.00 62.44 C ATOM 500 NE ARG A 31 9.139 -38.273 13.949 1.00 45.12 N ATOM 501 CZ ARG A 31 10.021 -39.172 14.304 1.00 74.03 C ATOM 502 NH1 ARG A 31 9.643 -40.327 14.751 1.00 33.01 N ATOM 503 NH2 ARG A 31 11.282 -38.906 14.213 1.00 71.41 N ATOM 0 H ARG A 31 4.779 -38.969 11.481 1.00 23.21 H new ATOM 0 HA ARG A 31 6.834 -37.807 9.939 1.00 74.20 H new ATOM 0 HB2 ARG A 31 6.944 -40.091 11.960 1.00 42.44 H new ATOM 0 HB3 ARG A 31 8.317 -39.142 11.424 1.00 42.44 H new ATOM 0 HG2 ARG A 31 7.310 -37.102 12.406 1.00 31.11 H new ATOM 0 HG3 ARG A 31 5.907 -38.023 12.909 1.00 31.11 H new ATOM 0 HD2 ARG A 31 7.293 -37.843 14.843 1.00 62.44 H new ATOM 0 HD3 ARG A 31 7.469 -39.494 14.283 1.00 62.44 H new ATOM 0 HE ARG A 31 9.486 -37.384 13.589 1.00 45.12 H new ATOM 0 HH11 ARG A 31 8.649 -40.543 14.829 1.00 33.01 H new ATOM 0 HH12 ARG A 31 10.339 -41.021 15.025 1.00 33.01 H new ATOM 0 HH21 ARG A 31 11.588 -37.997 13.865 1.00 71.41 H new ATOM 0 HH22 ARG A 31 11.972 -39.605 14.489 1.00 71.41 H new ATOM 517 N GLN A 32 5.952 -40.766 8.993 1.00 41.53 N ATOM 518 CA GLN A 32 6.142 -41.804 7.972 1.00 62.42 C ATOM 519 C GLN A 32 5.206 -41.604 6.765 1.00 1.42 C ATOM 520 O GLN A 32 5.342 -42.285 5.747 1.00 23.34 O ATOM 521 CB GLN A 32 5.908 -43.188 8.596 1.00 54.23 C ATOM 522 CG GLN A 32 6.905 -43.540 9.702 1.00 70.20 C ATOM 523 CD GLN A 32 6.576 -44.848 10.408 1.00 32.21 C ATOM 524 OE1 GLN A 32 5.416 -45.221 10.538 1.00 22.50 O ATOM 525 NE2 GLN A 32 7.590 -45.557 10.869 1.00 40.41 N ATOM 0 H GLN A 32 5.065 -40.830 9.493 1.00 41.53 H new ATOM 0 HA GLN A 32 7.166 -41.730 7.606 1.00 62.42 H new ATOM 0 HB2 GLN A 32 4.898 -43.227 9.004 1.00 54.23 H new ATOM 0 HB3 GLN A 32 5.965 -43.944 7.813 1.00 54.23 H new ATOM 0 HG2 GLN A 32 7.905 -43.607 9.274 1.00 70.20 H new ATOM 0 HG3 GLN A 32 6.925 -42.733 10.435 1.00 70.20 H new ATOM 0 HE21 GLN A 32 8.545 -45.221 10.746 1.00 40.41 H new ATOM 0 HE22 GLN A 32 7.418 -46.441 11.348 1.00 40.41 H new ATOM 534 N GLY A 33 4.260 -40.667 6.874 1.00 63.42 N ATOM 535 CA GLY A 33 3.287 -40.457 5.803 1.00 64.33 C ATOM 536 C GLY A 33 2.844 -39.006 5.639 1.00 64.41 C ATOM 537 O GLY A 33 1.660 -38.732 5.421 1.00 65.10 O ATOM 0 H GLY A 33 4.149 -40.052 7.680 1.00 63.42 H new ATOM 0 HA2 GLY A 33 3.717 -40.803 4.863 1.00 64.33 H new ATOM 0 HA3 GLY A 33 2.410 -41.074 5.998 1.00 64.33 H new ATOM 541 N ALA A 34 3.797 -38.081 5.735 1.00 33.15 N ATOM 542 CA ALA A 34 3.520 -36.642 5.579 1.00 3.22 C ATOM 543 C ALA A 34 4.804 -35.809 5.697 1.00 71.50 C ATOM 544 O ALA A 34 4.959 -34.774 5.043 1.00 63.40 O ATOM 545 CB ALA A 34 2.503 -36.175 6.617 1.00 44.10 C ATOM 0 H ALA A 34 4.776 -38.298 5.921 1.00 33.15 H new ATOM 0 HA ALA A 34 3.106 -36.494 4.582 1.00 3.22 H new ATOM 0 HB1 ALA A 34 2.312 -35.110 6.485 1.00 44.10 H new ATOM 0 HB2 ALA A 34 1.573 -36.729 6.490 1.00 44.10 H new ATOM 0 HB3 ALA A 34 2.897 -36.352 7.618 1.00 44.10 H new ATOM 551 N TRP A 35 5.718 -36.265 6.547 1.00 24.45 N ATOM 552 CA TRP A 35 6.990 -35.568 6.774 1.00 41.41 C ATOM 553 C TRP A 35 7.950 -35.708 5.578 1.00 43.33 C ATOM 554 O TRP A 35 8.045 -36.765 4.949 1.00 54.01 O ATOM 555 CB TRP A 35 7.667 -36.091 8.053 1.00 62.34 C ATOM 556 CG TRP A 35 7.214 -35.446 9.345 1.00 51.35 C ATOM 557 CD1 TRP A 35 7.951 -35.361 10.491 1.00 64.23 C ATOM 558 CD2 TRP A 35 5.956 -34.802 9.639 1.00 42.41 C ATOM 559 NE1 TRP A 35 7.237 -34.727 11.473 1.00 31.33 N ATOM 560 CE2 TRP A 35 6.016 -34.371 10.979 1.00 52.44 C ATOM 561 CE3 TRP A 35 4.785 -34.550 8.912 1.00 72.43 C ATOM 562 CZ2 TRP A 35 4.963 -33.707 11.600 1.00 32.21 C ATOM 563 CZ3 TRP A 35 3.741 -33.889 9.531 1.00 30.51 C ATOM 564 CH2 TRP A 35 3.836 -33.475 10.864 1.00 5.32 C ATOM 0 H TRP A 35 5.606 -37.118 7.095 1.00 24.45 H new ATOM 0 HA TRP A 35 6.760 -34.509 6.891 1.00 41.41 H new ATOM 0 HB2 TRP A 35 7.491 -37.164 8.123 1.00 62.34 H new ATOM 0 HB3 TRP A 35 8.744 -35.950 7.956 1.00 62.34 H new ATOM 0 HD1 TRP A 35 8.956 -35.740 10.607 1.00 64.23 H new ATOM 0 HE1 TRP A 35 7.566 -34.549 12.422 1.00 31.33 H new ATOM 0 HE3 TRP A 35 4.700 -34.868 7.883 1.00 72.43 H new ATOM 0 HZ2 TRP A 35 5.034 -33.386 12.629 1.00 32.21 H new ATOM 0 HZ3 TRP A 35 2.836 -33.689 8.976 1.00 30.51 H new ATOM 0 HH2 TRP A 35 3.002 -32.962 11.320 1.00 5.32 H new ATOM 575 N ILE A 36 8.670 -34.624 5.288 1.00 3.33 N ATOM 576 CA ILE A 36 9.634 -34.572 4.182 1.00 14.55 C ATOM 577 C ILE A 36 10.907 -33.826 4.620 1.00 31.21 C ATOM 578 O ILE A 36 10.825 -32.769 5.253 1.00 63.13 O ATOM 579 CB ILE A 36 9.040 -33.859 2.936 1.00 72.54 C ATOM 580 CG1 ILE A 36 7.740 -34.548 2.485 1.00 40.34 C ATOM 581 CG2 ILE A 36 10.061 -33.831 1.791 1.00 31.20 C ATOM 582 CD1 ILE A 36 7.054 -33.859 1.327 1.00 25.44 C ATOM 0 H ILE A 36 8.603 -33.753 5.814 1.00 3.33 H new ATOM 0 HA ILE A 36 9.874 -35.601 3.915 1.00 14.55 H new ATOM 0 HB ILE A 36 8.805 -32.831 3.211 1.00 72.54 H new ATOM 0 HG12 ILE A 36 7.964 -35.577 2.202 1.00 40.34 H new ATOM 0 HG13 ILE A 36 7.052 -34.592 3.329 1.00 40.34 H new ATOM 0 HG21 ILE A 36 9.626 -33.328 0.928 1.00 31.20 H new ATOM 0 HG22 ILE A 36 10.953 -33.294 2.112 1.00 31.20 H new ATOM 0 HG23 ILE A 36 10.330 -34.851 1.518 1.00 31.20 H new ATOM 0 HD11 ILE A 36 6.146 -34.403 1.066 1.00 25.44 H new ATOM 0 HD12 ILE A 36 6.797 -32.839 1.611 1.00 25.44 H new ATOM 0 HD13 ILE A 36 7.724 -33.838 0.467 1.00 25.44 H new ATOM 594 N GLU A 37 12.069 -34.380 4.283 1.00 73.15 N ATOM 595 CA GLU A 37 13.361 -33.786 4.666 1.00 34.02 C ATOM 596 C GLU A 37 13.499 -32.331 4.172 1.00 34.15 C ATOM 597 O GLU A 37 13.221 -32.024 3.012 1.00 23.14 O ATOM 598 CB GLU A 37 14.518 -34.639 4.122 1.00 20.21 C ATOM 599 CG GLU A 37 14.468 -34.864 2.613 1.00 1.44 C ATOM 600 CD GLU A 37 15.645 -35.680 2.101 1.00 62.23 C ATOM 601 OE1 GLU A 37 15.661 -36.910 2.320 1.00 71.30 O ATOM 602 OE2 GLU A 37 16.561 -35.093 1.490 1.00 31.33 O ATOM 0 H GLU A 37 12.149 -35.242 3.744 1.00 73.15 H new ATOM 0 HA GLU A 37 13.402 -33.768 5.755 1.00 34.02 H new ATOM 0 HB2 GLU A 37 15.462 -34.157 4.376 1.00 20.21 H new ATOM 0 HB3 GLU A 37 14.509 -35.607 4.624 1.00 20.21 H new ATOM 0 HG2 GLU A 37 13.539 -35.374 2.357 1.00 1.44 H new ATOM 0 HG3 GLU A 37 14.453 -33.899 2.106 1.00 1.44 H new ATOM 609 N GLY A 38 13.894 -31.433 5.077 1.00 45.22 N ATOM 610 CA GLY A 38 14.103 -30.027 4.720 1.00 63.40 C ATOM 611 C GLY A 38 12.807 -29.226 4.564 1.00 5.13 C ATOM 612 O GLY A 38 12.795 -28.007 4.744 1.00 50.43 O ATOM 0 H GLY A 38 14.075 -31.652 6.057 1.00 45.22 H new ATOM 0 HA2 GLY A 38 14.720 -29.556 5.486 1.00 63.40 H new ATOM 0 HA3 GLY A 38 14.663 -29.979 3.786 1.00 63.40 H new ATOM 616 N VAL A 39 11.713 -29.906 4.220 1.00 73.10 N ATOM 617 CA VAL A 39 10.428 -29.240 3.979 1.00 51.30 C ATOM 618 C VAL A 39 9.530 -29.236 5.230 1.00 24.12 C ATOM 619 O VAL A 39 8.859 -28.248 5.514 1.00 74.33 O ATOM 620 CB VAL A 39 9.669 -29.911 2.805 1.00 25.23 C ATOM 621 CG1 VAL A 39 8.406 -29.129 2.450 1.00 51.14 C ATOM 622 CG2 VAL A 39 10.579 -30.058 1.585 1.00 73.53 C ATOM 0 H VAL A 39 11.689 -30.919 4.101 1.00 73.10 H new ATOM 0 HA VAL A 39 10.658 -28.206 3.722 1.00 51.30 H new ATOM 0 HB VAL A 39 9.366 -30.908 3.126 1.00 25.23 H new ATOM 0 HG11 VAL A 39 7.893 -29.622 1.624 1.00 51.14 H new ATOM 0 HG12 VAL A 39 7.746 -29.092 3.316 1.00 51.14 H new ATOM 0 HG13 VAL A 39 8.677 -28.115 2.156 1.00 51.14 H new ATOM 0 HG21 VAL A 39 10.026 -30.531 0.773 1.00 73.53 H new ATOM 0 HG22 VAL A 39 10.921 -29.074 1.266 1.00 73.53 H new ATOM 0 HG23 VAL A 39 11.440 -30.674 1.845 1.00 73.53 H new ATOM 632 N HIS A 40 9.508 -30.348 5.969 1.00 3.41 N ATOM 633 CA HIS A 40 8.680 -30.455 7.185 1.00 14.34 C ATOM 634 C HIS A 40 9.516 -30.769 8.439 1.00 34.10 C ATOM 635 O HIS A 40 8.996 -30.714 9.553 1.00 61.31 O ATOM 636 CB HIS A 40 7.583 -31.517 7.008 1.00 33.53 C ATOM 637 CG HIS A 40 6.494 -31.118 6.051 1.00 72.00 C ATOM 638 ND1 HIS A 40 6.693 -30.968 4.694 1.00 31.41 N ATOM 639 CD2 HIS A 40 5.183 -30.834 6.265 1.00 21.33 C ATOM 640 CE1 HIS A 40 5.562 -30.608 4.119 1.00 24.00 C ATOM 641 NE2 HIS A 40 4.635 -30.523 5.046 1.00 61.21 N ATOM 0 H HIS A 40 10.049 -31.185 5.753 1.00 3.41 H new ATOM 0 HA HIS A 40 8.217 -29.480 7.333 1.00 14.34 H new ATOM 0 HB2 HIS A 40 8.040 -32.442 6.657 1.00 33.53 H new ATOM 0 HB3 HIS A 40 7.138 -31.731 7.980 1.00 33.53 H new ATOM 0 HD2 HIS A 40 4.669 -30.850 7.215 1.00 21.33 H new ATOM 0 HE1 HIS A 40 5.422 -30.416 3.066 1.00 24.00 H new ATOM 0 HE2 HIS A 40 3.661 -30.266 4.885 1.00 61.21 H new ATOM 650 N PHE A 41 10.800 -31.098 8.262 1.00 63.45 N ATOM 651 CA PHE A 41 11.686 -31.378 9.404 1.00 64.50 C ATOM 652 C PHE A 41 13.164 -31.368 8.995 1.00 70.22 C ATOM 653 O PHE A 41 13.496 -31.532 7.819 1.00 62.41 O ATOM 654 CB PHE A 41 11.341 -32.733 10.051 1.00 13.21 C ATOM 655 CG PHE A 41 11.740 -33.946 9.242 1.00 60.24 C ATOM 656 CD1 PHE A 41 10.907 -34.444 8.250 1.00 73.21 C ATOM 657 CD2 PHE A 41 12.946 -34.594 9.484 1.00 34.23 C ATOM 658 CE1 PHE A 41 11.269 -35.561 7.519 1.00 60.12 C ATOM 659 CE2 PHE A 41 13.310 -35.707 8.754 1.00 31.31 C ATOM 660 CZ PHE A 41 12.472 -36.191 7.769 1.00 52.13 C ATOM 0 H PHE A 41 11.249 -31.177 7.349 1.00 63.45 H new ATOM 0 HA PHE A 41 11.525 -30.581 10.130 1.00 64.50 H new ATOM 0 HB2 PHE A 41 11.827 -32.788 11.025 1.00 13.21 H new ATOM 0 HB3 PHE A 41 10.266 -32.771 10.229 1.00 13.21 H new ATOM 0 HD1 PHE A 41 9.966 -33.954 8.047 1.00 73.21 H new ATOM 0 HD2 PHE A 41 13.606 -34.222 10.253 1.00 34.23 H new ATOM 0 HE1 PHE A 41 10.610 -35.941 6.752 1.00 60.12 H new ATOM 0 HE2 PHE A 41 14.250 -36.200 8.953 1.00 31.31 H new ATOM 0 HZ PHE A 41 12.757 -37.061 7.195 1.00 52.13 H new ATOM 670 N LYS A 42 14.046 -31.182 9.976 1.00 62.33 N ATOM 671 CA LYS A 42 15.494 -31.268 9.744 1.00 63.51 C ATOM 672 C LYS A 42 16.245 -31.660 11.025 1.00 24.21 C ATOM 673 O LYS A 42 15.780 -31.403 12.139 1.00 4.23 O ATOM 674 CB LYS A 42 16.058 -29.930 9.238 1.00 21.11 C ATOM 675 CG LYS A 42 16.045 -28.822 10.289 1.00 44.54 C ATOM 676 CD LYS A 42 16.865 -27.611 9.856 1.00 32.44 C ATOM 677 CE LYS A 42 16.878 -26.528 10.929 1.00 53.42 C ATOM 678 NZ LYS A 42 17.823 -25.431 10.602 1.00 12.43 N ATOM 0 H LYS A 42 13.787 -30.971 10.940 1.00 62.33 H new ATOM 0 HA LYS A 42 15.642 -32.038 8.986 1.00 63.51 H new ATOM 0 HB2 LYS A 42 17.082 -30.083 8.897 1.00 21.11 H new ATOM 0 HB3 LYS A 42 15.479 -29.605 8.373 1.00 21.11 H new ATOM 0 HG2 LYS A 42 15.017 -28.514 10.478 1.00 44.54 H new ATOM 0 HG3 LYS A 42 16.439 -29.209 11.228 1.00 44.54 H new ATOM 0 HD2 LYS A 42 17.887 -27.922 9.640 1.00 32.44 H new ATOM 0 HD3 LYS A 42 16.453 -27.204 8.932 1.00 32.44 H new ATOM 0 HE2 LYS A 42 15.874 -26.119 11.043 1.00 53.42 H new ATOM 0 HE3 LYS A 42 17.153 -26.970 11.887 1.00 53.42 H new ATOM 0 HZ1 LYS A 42 17.800 -24.717 11.357 1.00 12.43 H new ATOM 0 HZ2 LYS A 42 18.786 -25.816 10.518 1.00 12.43 H new ATOM 0 HZ3 LYS A 42 17.546 -24.991 9.701 1.00 12.43 H new ATOM 692 N ARG A 43 17.405 -32.287 10.857 1.00 23.21 N ATOM 693 CA ARG A 43 18.315 -32.540 11.980 1.00 74.25 C ATOM 694 C ARG A 43 19.032 -31.244 12.411 1.00 25.24 C ATOM 695 O ARG A 43 19.396 -30.410 11.575 1.00 62.54 O ATOM 696 CB ARG A 43 19.355 -33.623 11.616 1.00 42.12 C ATOM 697 CG ARG A 43 20.475 -33.164 10.669 1.00 14.20 C ATOM 698 CD ARG A 43 19.968 -32.825 9.267 1.00 12.31 C ATOM 699 NE ARG A 43 21.036 -32.335 8.397 1.00 24.32 N ATOM 700 CZ ARG A 43 21.048 -32.455 7.096 1.00 71.11 C ATOM 701 NH1 ARG A 43 20.078 -33.053 6.476 1.00 13.33 N ATOM 702 NH2 ARG A 43 22.027 -31.957 6.415 1.00 24.42 N ATOM 0 H ARG A 43 17.741 -32.631 9.957 1.00 23.21 H new ATOM 0 HA ARG A 43 17.715 -32.901 12.816 1.00 74.25 H new ATOM 0 HB2 ARG A 43 19.808 -33.993 12.536 1.00 42.12 H new ATOM 0 HB3 ARG A 43 18.835 -34.464 11.157 1.00 42.12 H new ATOM 0 HG2 ARG A 43 20.967 -32.289 11.093 1.00 14.20 H new ATOM 0 HG3 ARG A 43 21.228 -33.949 10.598 1.00 14.20 H new ATOM 0 HD2 ARG A 43 19.517 -33.712 8.821 1.00 12.31 H new ATOM 0 HD3 ARG A 43 19.185 -32.070 9.338 1.00 12.31 H new ATOM 0 HE ARG A 43 21.828 -31.866 8.837 1.00 24.32 H new ATOM 0 HH11 ARG A 43 19.294 -33.436 7.005 1.00 13.33 H new ATOM 0 HH12 ARG A 43 20.099 -33.140 5.460 1.00 13.33 H new ATOM 0 HH21 ARG A 43 22.786 -31.472 6.893 1.00 24.42 H new ATOM 0 HH22 ARG A 43 22.040 -32.049 5.399 1.00 24.42 H new ATOM 716 N VAL A 44 19.214 -31.072 13.715 1.00 74.53 N ATOM 717 CA VAL A 44 19.926 -29.910 14.261 1.00 4.30 C ATOM 718 C VAL A 44 21.307 -30.312 14.802 1.00 3.54 C ATOM 719 O VAL A 44 21.482 -31.413 15.333 1.00 44.10 O ATOM 720 CB VAL A 44 19.100 -29.224 15.382 1.00 2.53 C ATOM 721 CG1 VAL A 44 19.843 -28.022 15.962 1.00 0.31 C ATOM 722 CG2 VAL A 44 17.733 -28.803 14.849 1.00 70.35 C ATOM 0 H VAL A 44 18.878 -31.725 14.423 1.00 74.53 H new ATOM 0 HA VAL A 44 20.064 -29.200 13.445 1.00 4.30 H new ATOM 0 HB VAL A 44 18.957 -29.946 16.186 1.00 2.53 H new ATOM 0 HG11 VAL A 44 19.238 -27.563 16.744 1.00 0.31 H new ATOM 0 HG12 VAL A 44 20.793 -28.350 16.383 1.00 0.31 H new ATOM 0 HG13 VAL A 44 20.028 -27.293 15.173 1.00 0.31 H new ATOM 0 HG21 VAL A 44 17.164 -28.323 15.645 1.00 70.35 H new ATOM 0 HG22 VAL A 44 17.864 -28.103 14.024 1.00 70.35 H new ATOM 0 HG23 VAL A 44 17.193 -29.682 14.496 1.00 70.35 H new ATOM 732 N SER A 45 22.277 -29.410 14.648 1.00 32.14 N ATOM 733 CA SER A 45 23.669 -29.653 15.060 1.00 21.52 C ATOM 734 C SER A 45 23.774 -30.130 16.522 1.00 2.44 C ATOM 735 O SER A 45 23.205 -29.510 17.425 1.00 64.14 O ATOM 736 CB SER A 45 24.490 -28.366 14.891 1.00 51.42 C ATOM 737 OG SER A 45 24.353 -27.838 13.580 1.00 52.22 O ATOM 0 H SER A 45 22.125 -28.490 14.235 1.00 32.14 H new ATOM 0 HA SER A 45 24.061 -30.445 14.422 1.00 21.52 H new ATOM 0 HB2 SER A 45 24.163 -27.625 15.620 1.00 51.42 H new ATOM 0 HB3 SER A 45 25.541 -28.572 15.095 1.00 51.42 H new ATOM 0 HG SER A 45 24.884 -27.018 13.500 1.00 52.22 H new ATOM 743 N PRO A 46 24.510 -31.239 16.774 1.00 51.11 N ATOM 744 CA PRO A 46 24.715 -31.773 18.138 1.00 33.20 C ATOM 745 C PRO A 46 25.225 -30.715 19.136 1.00 12.11 C ATOM 746 O PRO A 46 24.923 -30.777 20.331 1.00 72.15 O ATOM 747 CB PRO A 46 25.765 -32.874 17.930 1.00 11.23 C ATOM 748 CG PRO A 46 25.571 -33.312 16.518 1.00 45.33 C ATOM 749 CD PRO A 46 25.180 -32.073 15.753 1.00 53.31 C ATOM 0 HA PRO A 46 23.781 -32.125 18.575 1.00 33.20 H new ATOM 0 HB2 PRO A 46 26.774 -32.496 18.093 1.00 11.23 H new ATOM 0 HB3 PRO A 46 25.617 -33.700 18.626 1.00 11.23 H new ATOM 0 HG2 PRO A 46 26.485 -33.748 16.115 1.00 45.33 H new ATOM 0 HG3 PRO A 46 24.796 -34.075 16.448 1.00 45.33 H new ATOM 0 HD2 PRO A 46 26.050 -31.570 15.331 1.00 53.31 H new ATOM 0 HD3 PRO A 46 24.513 -32.306 14.923 1.00 53.31 H new ATOM 757 N SER A 47 26.027 -29.772 18.635 1.00 23.13 N ATOM 758 CA SER A 47 26.477 -28.597 19.411 1.00 5.23 C ATOM 759 C SER A 47 27.444 -28.943 20.561 1.00 72.13 C ATOM 760 O SER A 47 27.978 -28.041 21.208 1.00 61.22 O ATOM 761 CB SER A 47 25.271 -27.821 19.966 1.00 4.41 C ATOM 762 OG SER A 47 24.404 -27.394 18.924 1.00 75.45 O ATOM 0 H SER A 47 26.387 -29.795 17.681 1.00 23.13 H new ATOM 0 HA SER A 47 27.034 -27.976 18.709 1.00 5.23 H new ATOM 0 HB2 SER A 47 24.720 -28.452 20.664 1.00 4.41 H new ATOM 0 HB3 SER A 47 25.621 -26.955 20.528 1.00 4.41 H new ATOM 0 HG SER A 47 24.026 -28.177 18.472 1.00 75.45 H new ATOM 768 N GLY A 48 27.688 -30.230 20.807 1.00 22.34 N ATOM 769 CA GLY A 48 28.574 -30.625 21.903 1.00 20.41 C ATOM 770 C GLY A 48 28.427 -32.085 22.332 1.00 40.15 C ATOM 771 O GLY A 48 28.650 -33.001 21.538 1.00 54.14 O ATOM 0 H GLY A 48 27.293 -31.005 20.274 1.00 22.34 H new ATOM 0 HA2 GLY A 48 29.607 -30.449 21.602 1.00 20.41 H new ATOM 0 HA3 GLY A 48 28.378 -29.984 22.763 1.00 20.41 H new ATOM 775 N GLU A 49 28.048 -32.301 23.594 1.00 1.42 N ATOM 776 CA GLU A 49 27.985 -33.651 24.180 1.00 1.01 C ATOM 777 C GLU A 49 26.923 -34.544 23.515 1.00 14.43 C ATOM 778 O GLU A 49 26.896 -35.758 23.740 1.00 54.42 O ATOM 779 CB GLU A 49 27.711 -33.568 25.690 1.00 2.03 C ATOM 780 CG GLU A 49 26.352 -32.967 26.041 1.00 40.12 C ATOM 781 CD GLU A 49 26.014 -33.103 27.518 1.00 22.34 C ATOM 782 OE1 GLU A 49 25.753 -34.240 27.966 1.00 64.40 O ATOM 783 OE2 GLU A 49 25.995 -32.079 28.235 1.00 53.13 O ATOM 0 H GLU A 49 27.778 -31.556 24.237 1.00 1.42 H new ATOM 0 HA GLU A 49 28.957 -34.110 24.000 1.00 1.01 H new ATOM 0 HB2 GLU A 49 27.775 -34.569 26.116 1.00 2.03 H new ATOM 0 HB3 GLU A 49 28.493 -32.971 26.159 1.00 2.03 H new ATOM 0 HG2 GLU A 49 26.344 -31.912 25.766 1.00 40.12 H new ATOM 0 HG3 GLU A 49 25.579 -33.457 25.449 1.00 40.12 H new ATOM 790 N LYS A 50 26.040 -33.949 22.715 1.00 40.34 N ATOM 791 CA LYS A 50 25.004 -34.714 22.013 1.00 65.52 C ATOM 792 C LYS A 50 25.626 -35.755 21.069 1.00 30.41 C ATOM 793 O LYS A 50 26.556 -35.453 20.318 1.00 1.53 O ATOM 794 CB LYS A 50 24.087 -33.771 21.221 1.00 21.40 C ATOM 795 CG LYS A 50 22.967 -34.486 20.460 1.00 14.10 C ATOM 796 CD LYS A 50 21.931 -35.105 21.401 1.00 33.31 C ATOM 797 CE LYS A 50 21.114 -34.038 22.127 1.00 71.04 C ATOM 798 NZ LYS A 50 20.096 -34.629 23.036 1.00 64.03 N ATOM 0 H LYS A 50 26.018 -32.945 22.536 1.00 40.34 H new ATOM 0 HA LYS A 50 24.413 -35.241 22.762 1.00 65.52 H new ATOM 0 HB2 LYS A 50 23.643 -33.051 21.908 1.00 21.40 H new ATOM 0 HB3 LYS A 50 24.691 -33.205 20.512 1.00 21.40 H new ATOM 0 HG2 LYS A 50 22.473 -33.778 19.794 1.00 14.10 H new ATOM 0 HG3 LYS A 50 23.397 -35.267 19.833 1.00 14.10 H new ATOM 0 HD2 LYS A 50 21.262 -35.750 20.831 1.00 33.31 H new ATOM 0 HD3 LYS A 50 22.436 -35.736 22.132 1.00 33.31 H new ATOM 0 HE2 LYS A 50 21.784 -33.399 22.702 1.00 71.04 H new ATOM 0 HE3 LYS A 50 20.618 -33.402 21.394 1.00 71.04 H new ATOM 0 HZ1 LYS A 50 19.567 -33.867 23.506 1.00 64.03 H new ATOM 0 HZ2 LYS A 50 19.439 -35.218 22.485 1.00 64.03 H new ATOM 0 HZ3 LYS A 50 20.569 -35.215 23.753 1.00 64.03 H new ATOM 812 N THR A 51 25.107 -36.980 21.117 1.00 12.34 N ATOM 813 CA THR A 51 25.625 -38.083 20.294 1.00 54.11 C ATOM 814 C THR A 51 25.231 -37.926 18.816 1.00 24.00 C ATOM 815 O THR A 51 24.663 -36.908 18.412 1.00 65.32 O ATOM 816 CB THR A 51 25.106 -39.452 20.797 1.00 50.31 C ATOM 817 OG1 THR A 51 23.706 -39.584 20.518 1.00 32.21 O ATOM 818 CG2 THR A 51 25.334 -39.608 22.297 1.00 63.14 C ATOM 0 H THR A 51 24.325 -37.240 21.718 1.00 12.34 H new ATOM 0 HA THR A 51 26.711 -38.046 20.382 1.00 54.11 H new ATOM 0 HB THR A 51 25.661 -40.231 20.274 1.00 50.31 H new ATOM 0 HG1 THR A 51 23.321 -40.275 21.096 1.00 32.21 H new ATOM 0 HG21 THR A 51 24.960 -40.579 22.623 1.00 63.14 H new ATOM 0 HG22 THR A 51 26.400 -39.539 22.512 1.00 63.14 H new ATOM 0 HG23 THR A 51 24.805 -38.818 22.830 1.00 63.14 H new ATOM 826 N LEU A 52 25.511 -38.956 18.014 1.00 62.12 N ATOM 827 CA LEU A 52 25.217 -38.925 16.571 1.00 53.35 C ATOM 828 C LEU A 52 23.706 -38.800 16.292 1.00 54.24 C ATOM 829 O LEU A 52 23.300 -38.509 15.164 1.00 1.43 O ATOM 830 CB LEU A 52 25.770 -40.179 15.867 1.00 11.22 C ATOM 831 CG LEU A 52 27.306 -40.334 15.858 1.00 41.12 C ATOM 832 CD1 LEU A 52 27.981 -39.066 15.340 1.00 60.23 C ATOM 833 CD2 LEU A 52 27.835 -40.705 17.242 1.00 14.54 C ATOM 0 H LEU A 52 25.941 -39.824 18.335 1.00 62.12 H new ATOM 0 HA LEU A 52 25.712 -38.040 16.170 1.00 53.35 H new ATOM 0 HB2 LEU A 52 25.340 -41.059 16.346 1.00 11.22 H new ATOM 0 HB3 LEU A 52 25.420 -40.175 14.835 1.00 11.22 H new ATOM 0 HG LEU A 52 27.551 -41.150 15.178 1.00 41.12 H new ATOM 0 HD11 LEU A 52 29.062 -39.202 15.344 1.00 60.23 H new ATOM 0 HD12 LEU A 52 27.644 -38.864 14.323 1.00 60.23 H new ATOM 0 HD13 LEU A 52 27.719 -38.226 15.983 1.00 60.23 H new ATOM 0 HD21 LEU A 52 28.919 -40.807 17.202 1.00 14.54 H new ATOM 0 HD22 LEU A 52 27.570 -39.924 17.954 1.00 14.54 H new ATOM 0 HD23 LEU A 52 27.394 -41.650 17.559 1.00 14.54 H new ATOM 845 N ARG A 53 22.885 -39.026 17.320 1.00 40.20 N ATOM 846 CA ARG A 53 21.424 -38.906 17.204 1.00 54.33 C ATOM 847 C ARG A 53 21.003 -37.480 16.791 1.00 42.41 C ATOM 848 O ARG A 53 20.197 -37.294 15.874 1.00 13.41 O ATOM 849 CB ARG A 53 20.754 -39.269 18.543 1.00 60.11 C ATOM 850 CG ARG A 53 21.203 -40.606 19.131 1.00 31.52 C ATOM 851 CD ARG A 53 20.782 -41.795 18.275 1.00 71.42 C ATOM 852 NE ARG A 53 21.351 -43.043 18.783 1.00 21.00 N ATOM 853 CZ ARG A 53 20.669 -44.133 19.014 1.00 22.41 C ATOM 854 NH1 ARG A 53 19.386 -44.178 18.810 1.00 5.42 N ATOM 855 NH2 ARG A 53 21.272 -45.181 19.467 1.00 14.33 N ATOM 0 H ARG A 53 23.207 -39.295 18.250 1.00 40.20 H new ATOM 0 HA ARG A 53 21.098 -39.598 16.428 1.00 54.33 H new ATOM 0 HB2 ARG A 53 20.962 -38.480 19.265 1.00 60.11 H new ATOM 0 HB3 ARG A 53 19.674 -39.293 18.400 1.00 60.11 H new ATOM 0 HG2 ARG A 53 22.288 -40.606 19.237 1.00 31.52 H new ATOM 0 HG3 ARG A 53 20.785 -40.717 20.131 1.00 31.52 H new ATOM 0 HD2 ARG A 53 19.695 -41.868 18.260 1.00 71.42 H new ATOM 0 HD3 ARG A 53 21.105 -41.638 17.246 1.00 71.42 H new ATOM 0 HE ARG A 53 22.353 -43.064 18.971 1.00 21.00 H new ATOM 0 HH11 ARG A 53 18.895 -43.353 18.464 1.00 5.42 H new ATOM 0 HH12 ARG A 53 18.870 -45.038 18.996 1.00 5.42 H new ATOM 0 HH21 ARG A 53 22.276 -45.155 19.643 1.00 14.33 H new ATOM 0 HH22 ARG A 53 20.744 -46.034 19.649 1.00 14.33 H new ATOM 869 N GLY A 54 21.574 -36.479 17.460 1.00 31.40 N ATOM 870 CA GLY A 54 21.195 -35.088 17.214 1.00 54.33 C ATOM 871 C GLY A 54 19.816 -34.739 17.771 1.00 62.22 C ATOM 872 O GLY A 54 19.372 -35.312 18.766 1.00 23.41 O ATOM 0 H GLY A 54 22.295 -36.603 18.171 1.00 31.40 H new ATOM 0 HA2 GLY A 54 21.939 -34.430 17.662 1.00 54.33 H new ATOM 0 HA3 GLY A 54 21.206 -34.898 16.141 1.00 54.33 H new ATOM 876 N THR A 55 19.145 -33.782 17.138 1.00 70.03 N ATOM 877 CA THR A 55 17.780 -33.391 17.528 1.00 65.04 C ATOM 878 C THR A 55 16.979 -32.926 16.305 1.00 74.31 C ATOM 879 O THR A 55 17.474 -32.140 15.501 1.00 24.52 O ATOM 880 CB THR A 55 17.784 -32.262 18.597 1.00 20.03 C ATOM 881 OG1 THR A 55 18.524 -32.683 19.758 1.00 14.31 O ATOM 882 CG2 THR A 55 16.362 -31.892 19.017 1.00 32.02 C ATOM 0 H THR A 55 19.520 -33.256 16.348 1.00 70.03 H new ATOM 0 HA THR A 55 17.309 -34.274 17.961 1.00 65.04 H new ATOM 0 HB THR A 55 18.257 -31.386 18.153 1.00 20.03 H new ATOM 0 HG1 THR A 55 18.522 -31.965 20.425 1.00 14.31 H new ATOM 0 HG21 THR A 55 16.398 -31.100 19.765 1.00 32.02 H new ATOM 0 HG22 THR A 55 15.805 -31.544 18.147 1.00 32.02 H new ATOM 0 HG23 THR A 55 15.868 -32.767 19.439 1.00 32.02 H new ATOM 890 N THR A 56 15.746 -33.414 16.160 1.00 60.24 N ATOM 891 CA THR A 56 14.920 -33.092 14.983 1.00 33.13 C ATOM 892 C THR A 56 13.844 -32.041 15.299 1.00 12.45 C ATOM 893 O THR A 56 13.002 -32.243 16.176 1.00 31.14 O ATOM 894 CB THR A 56 14.226 -34.356 14.420 1.00 73.43 C ATOM 895 OG1 THR A 56 15.207 -35.359 14.110 1.00 33.23 O ATOM 896 CG2 THR A 56 13.417 -34.038 13.163 1.00 31.24 C ATOM 0 H THR A 56 15.295 -34.031 16.836 1.00 60.24 H new ATOM 0 HA THR A 56 15.603 -32.684 14.238 1.00 33.13 H new ATOM 0 HB THR A 56 13.544 -34.726 15.185 1.00 73.43 H new ATOM 0 HG1 THR A 56 14.760 -36.156 13.756 1.00 33.23 H new ATOM 0 HG21 THR A 56 12.944 -34.948 12.795 1.00 31.24 H new ATOM 0 HG22 THR A 56 12.650 -33.301 13.401 1.00 31.24 H new ATOM 0 HG23 THR A 56 14.079 -33.638 12.395 1.00 31.24 H new ATOM 904 N TRP A 57 13.879 -30.926 14.573 1.00 53.10 N ATOM 905 CA TRP A 57 12.868 -29.863 14.710 1.00 54.20 C ATOM 906 C TRP A 57 11.937 -29.840 13.485 1.00 72.25 C ATOM 907 O TRP A 57 12.362 -30.135 12.365 1.00 3.25 O ATOM 908 CB TRP A 57 13.549 -28.494 14.897 1.00 52.21 C ATOM 909 CG TRP A 57 14.222 -28.322 16.234 1.00 5.24 C ATOM 910 CD1 TRP A 57 15.013 -29.228 16.881 1.00 11.22 C ATOM 911 CD2 TRP A 57 14.177 -27.161 17.075 1.00 5.33 C ATOM 912 NE1 TRP A 57 15.450 -28.707 18.074 1.00 44.24 N ATOM 913 CE2 TRP A 57 14.953 -27.439 18.216 1.00 72.20 C ATOM 914 CE3 TRP A 57 13.555 -25.915 16.975 1.00 52.43 C ATOM 915 CZ2 TRP A 57 15.121 -26.520 19.248 1.00 32.35 C ATOM 916 CZ3 TRP A 57 13.723 -25.001 18.000 1.00 52.20 C ATOM 917 CH2 TRP A 57 14.502 -25.307 19.123 1.00 55.14 C ATOM 0 H TRP A 57 14.599 -30.728 13.878 1.00 53.10 H new ATOM 0 HA TRP A 57 12.266 -30.073 15.594 1.00 54.20 H new ATOM 0 HB2 TRP A 57 14.289 -28.357 14.109 1.00 52.21 H new ATOM 0 HB3 TRP A 57 12.803 -27.709 14.773 1.00 52.21 H new ATOM 0 HD1 TRP A 57 15.259 -30.211 16.508 1.00 11.22 H new ATOM 0 HE1 TRP A 57 16.048 -29.187 18.746 1.00 44.24 H new ATOM 0 HE3 TRP A 57 12.953 -25.669 16.113 1.00 52.43 H new ATOM 0 HZ2 TRP A 57 15.719 -26.756 20.116 1.00 32.35 H new ATOM 0 HZ3 TRP A 57 13.245 -24.035 17.933 1.00 52.20 H new ATOM 0 HH2 TRP A 57 14.616 -24.571 19.905 1.00 55.14 H new ATOM 928 N TYR A 58 10.667 -29.493 13.706 1.00 62.34 N ATOM 929 CA TYR A 58 9.648 -29.544 12.644 1.00 54.35 C ATOM 930 C TYR A 58 9.242 -28.145 12.138 1.00 23.34 C ATOM 931 O TYR A 58 9.345 -27.148 12.858 1.00 73.22 O ATOM 932 CB TYR A 58 8.403 -30.290 13.151 1.00 31.21 C ATOM 933 CG TYR A 58 8.674 -31.719 13.600 1.00 21.11 C ATOM 934 CD1 TYR A 58 9.503 -32.555 12.862 1.00 61.12 C ATOM 935 CD2 TYR A 58 8.107 -32.228 14.762 1.00 41.23 C ATOM 936 CE1 TYR A 58 9.758 -33.853 13.263 1.00 12.50 C ATOM 937 CE2 TYR A 58 8.359 -33.527 15.170 1.00 64.12 C ATOM 938 CZ TYR A 58 9.186 -34.334 14.418 1.00 25.53 C ATOM 939 OH TYR A 58 9.441 -35.631 14.817 1.00 75.01 O ATOM 0 H TYR A 58 10.316 -29.173 14.609 1.00 62.34 H new ATOM 0 HA TYR A 58 10.092 -30.076 11.802 1.00 54.35 H new ATOM 0 HB2 TYR A 58 7.974 -29.734 13.985 1.00 31.21 H new ATOM 0 HB3 TYR A 58 7.654 -30.305 12.359 1.00 31.21 H new ATOM 0 HD1 TYR A 58 9.958 -32.183 11.956 1.00 61.12 H new ATOM 0 HD2 TYR A 58 7.459 -31.600 15.356 1.00 41.23 H new ATOM 0 HE1 TYR A 58 10.403 -34.487 12.672 1.00 12.50 H new ATOM 0 HE2 TYR A 58 7.909 -33.907 16.075 1.00 64.12 H new ATOM 0 HH TYR A 58 8.842 -35.870 15.555 1.00 75.01 H new ATOM 949 N ASN A 59 8.776 -28.095 10.884 1.00 61.12 N ATOM 950 CA ASN A 59 8.287 -26.851 10.263 1.00 63.02 C ATOM 951 C ASN A 59 6.813 -26.577 10.609 1.00 33.45 C ATOM 952 O ASN A 59 5.909 -27.163 10.009 1.00 15.42 O ATOM 953 CB ASN A 59 8.438 -26.919 8.736 1.00 23.32 C ATOM 954 CG ASN A 59 9.884 -26.932 8.283 1.00 2.25 C ATOM 955 OD1 ASN A 59 10.511 -27.976 8.196 1.00 11.44 O ATOM 956 ND2 ASN A 59 10.422 -25.770 7.972 1.00 44.31 N ATOM 0 H ASN A 59 8.726 -28.909 10.272 1.00 61.12 H new ATOM 0 HA ASN A 59 8.892 -26.037 10.662 1.00 63.02 H new ATOM 0 HB2 ASN A 59 7.940 -27.815 8.367 1.00 23.32 H new ATOM 0 HB3 ASN A 59 7.931 -26.065 8.288 1.00 23.32 H new ATOM 0 HD21 ASN A 59 11.388 -25.726 7.648 1.00 44.31 H new ATOM 0 HD22 ASN A 59 9.872 -24.915 8.055 1.00 44.31 H new ATOM 963 N TYR A 60 6.576 -25.667 11.555 1.00 24.02 N ATOM 964 CA TYR A 60 5.210 -25.293 11.958 1.00 65.22 C ATOM 965 C TYR A 60 4.314 -24.908 10.754 1.00 70.21 C ATOM 966 O TYR A 60 3.207 -25.434 10.620 1.00 5.21 O ATOM 967 CB TYR A 60 5.243 -24.150 12.987 1.00 62.22 C ATOM 968 CG TYR A 60 3.870 -23.610 13.355 1.00 12.43 C ATOM 969 CD1 TYR A 60 3.004 -24.341 14.163 1.00 23.54 C ATOM 970 CD2 TYR A 60 3.438 -22.371 12.886 1.00 44.04 C ATOM 971 CE1 TYR A 60 1.753 -23.853 14.490 1.00 23.30 C ATOM 972 CE2 TYR A 60 2.189 -21.879 13.212 1.00 3.12 C ATOM 973 CZ TYR A 60 1.352 -22.623 14.012 1.00 25.54 C ATOM 974 OH TYR A 60 0.105 -22.135 14.339 1.00 14.42 O ATOM 0 H TYR A 60 7.311 -25.172 12.060 1.00 24.02 H new ATOM 0 HA TYR A 60 4.766 -26.177 12.416 1.00 65.22 H new ATOM 0 HB2 TYR A 60 5.738 -24.503 13.892 1.00 62.22 H new ATOM 0 HB3 TYR A 60 5.848 -23.335 12.590 1.00 62.22 H new ATOM 0 HD1 TYR A 60 3.314 -25.304 14.540 1.00 23.54 H new ATOM 0 HD2 TYR A 60 4.091 -21.785 12.256 1.00 44.04 H new ATOM 0 HE1 TYR A 60 1.092 -24.433 15.117 1.00 23.30 H new ATOM 0 HE2 TYR A 60 1.871 -20.916 12.841 1.00 3.12 H new ATOM 0 HH TYR A 60 -0.022 -21.257 13.923 1.00 14.42 H new ATOM 984 N PRO A 61 4.763 -23.994 9.852 1.00 54.51 N ATOM 985 CA PRO A 61 3.954 -23.575 8.686 1.00 24.42 C ATOM 986 C PRO A 61 3.517 -24.752 7.794 1.00 32.13 C ATOM 987 O PRO A 61 2.330 -24.923 7.525 1.00 20.53 O ATOM 988 CB PRO A 61 4.888 -22.623 7.912 1.00 3.10 C ATOM 989 CG PRO A 61 6.255 -22.900 8.444 1.00 43.51 C ATOM 990 CD PRO A 61 6.062 -23.295 9.880 1.00 74.42 C ATOM 0 HA PRO A 61 3.019 -23.112 9.002 1.00 24.42 H new ATOM 0 HB2 PRO A 61 4.838 -22.808 6.839 1.00 3.10 H new ATOM 0 HB3 PRO A 61 4.607 -21.582 8.069 1.00 3.10 H new ATOM 0 HG2 PRO A 61 6.740 -23.697 7.881 1.00 43.51 H new ATOM 0 HG3 PRO A 61 6.892 -22.019 8.363 1.00 43.51 H new ATOM 0 HD2 PRO A 61 6.864 -23.944 10.233 1.00 74.42 H new ATOM 0 HD3 PRO A 61 6.041 -22.427 10.539 1.00 74.42 H new ATOM 998 N GLU A 62 4.477 -25.568 7.355 1.00 2.41 N ATOM 999 CA GLU A 62 4.189 -26.706 6.469 1.00 61.13 C ATOM 1000 C GLU A 62 3.310 -27.779 7.148 1.00 33.32 C ATOM 1001 O GLU A 62 2.639 -28.561 6.470 1.00 33.22 O ATOM 1002 CB GLU A 62 5.501 -27.333 5.969 1.00 24.03 C ATOM 1003 CG GLU A 62 6.188 -26.552 4.846 1.00 41.11 C ATOM 1004 CD GLU A 62 5.359 -26.489 3.563 1.00 14.53 C ATOM 1005 OE1 GLU A 62 5.152 -27.548 2.924 1.00 5.05 O ATOM 1006 OE2 GLU A 62 4.918 -25.384 3.180 1.00 32.01 O ATOM 0 H GLU A 62 5.463 -25.465 7.597 1.00 2.41 H new ATOM 0 HA GLU A 62 3.622 -26.318 5.623 1.00 61.13 H new ATOM 0 HB2 GLU A 62 6.191 -27.421 6.809 1.00 24.03 H new ATOM 0 HB3 GLU A 62 5.296 -28.344 5.618 1.00 24.03 H new ATOM 0 HG2 GLU A 62 6.392 -25.538 5.189 1.00 41.11 H new ATOM 0 HG3 GLU A 62 7.151 -27.014 4.627 1.00 41.11 H new ATOM 1013 N ILE A 63 3.324 -27.830 8.480 1.00 42.45 N ATOM 1014 CA ILE A 63 2.473 -28.774 9.221 1.00 41.13 C ATOM 1015 C ILE A 63 1.044 -28.233 9.381 1.00 63.41 C ATOM 1016 O ILE A 63 0.070 -28.953 9.149 1.00 22.14 O ATOM 1017 CB ILE A 63 3.078 -29.109 10.609 1.00 1.22 C ATOM 1018 CG1 ILE A 63 4.432 -29.814 10.425 1.00 22.45 C ATOM 1019 CG2 ILE A 63 2.124 -29.975 11.439 1.00 0.44 C ATOM 1020 CD1 ILE A 63 5.139 -30.141 11.722 1.00 32.43 C ATOM 0 H ILE A 63 3.908 -27.236 9.068 1.00 42.45 H new ATOM 0 HA ILE A 63 2.428 -29.692 8.636 1.00 41.13 H new ATOM 0 HB ILE A 63 3.230 -28.178 11.155 1.00 1.22 H new ATOM 0 HG12 ILE A 63 4.276 -30.737 9.866 1.00 22.45 H new ATOM 0 HG13 ILE A 63 5.080 -29.180 9.820 1.00 22.45 H new ATOM 0 HG21 ILE A 63 2.578 -30.192 12.406 1.00 0.44 H new ATOM 0 HG22 ILE A 63 1.186 -29.441 11.590 1.00 0.44 H new ATOM 0 HG23 ILE A 63 1.929 -30.909 10.912 1.00 0.44 H new ATOM 0 HD11 ILE A 63 6.085 -30.636 11.506 1.00 32.43 H new ATOM 0 HD12 ILE A 63 5.329 -29.221 12.275 1.00 32.43 H new ATOM 0 HD13 ILE A 63 4.512 -30.802 12.321 1.00 32.43 H new ATOM 1032 N ASN A 64 0.918 -26.966 9.772 1.00 65.51 N ATOM 1033 CA ASN A 64 -0.391 -26.303 9.827 1.00 44.43 C ATOM 1034 C ASN A 64 -1.054 -26.333 8.439 1.00 12.14 C ATOM 1035 O ASN A 64 -2.256 -26.572 8.304 1.00 55.01 O ATOM 1036 CB ASN A 64 -0.229 -24.861 10.325 1.00 12.23 C ATOM 1037 CG ASN A 64 -1.548 -24.110 10.433 1.00 40.14 C ATOM 1038 OD1 ASN A 64 -2.629 -24.813 10.725 1.00 62.04 O flip ATOM 1039 ND2 ASN A 64 -1.594 -22.897 10.264 1.00 43.41 N flip ATOM 0 H ASN A 64 1.701 -26.377 10.055 1.00 65.51 H new ATOM 0 HA ASN A 64 -1.035 -26.836 10.526 1.00 44.43 H new ATOM 0 HB2 ASN A 64 0.255 -24.873 11.302 1.00 12.23 H new ATOM 0 HB3 ASN A 64 0.434 -24.322 9.648 1.00 12.23 H new ATOM 0 HD21 ASN A 64 -0.743 -22.381 10.040 1.00 43.41 H new ATOM 0 HD22 ASN A 64 -2.483 -22.404 10.348 1.00 43.41 H new ATOM 1046 N LYS A 65 -0.238 -26.099 7.419 1.00 54.11 N ATOM 1047 CA LYS A 65 -0.633 -26.278 6.018 1.00 50.33 C ATOM 1048 C LYS A 65 -1.215 -27.681 5.774 1.00 14.22 C ATOM 1049 O LYS A 65 -2.286 -27.827 5.184 1.00 4.13 O ATOM 1050 CB LYS A 65 0.598 -26.038 5.130 1.00 13.40 C ATOM 1051 CG LYS A 65 0.482 -26.552 3.698 1.00 62.41 C ATOM 1052 CD LYS A 65 1.801 -26.356 2.959 1.00 63.23 C ATOM 1053 CE LYS A 65 1.827 -27.045 1.603 1.00 51.33 C ATOM 1054 NZ LYS A 65 3.151 -26.891 0.952 1.00 23.31 N ATOM 0 H LYS A 65 0.723 -25.778 7.536 1.00 54.11 H new ATOM 0 HA LYS A 65 -1.416 -25.561 5.770 1.00 50.33 H new ATOM 0 HB2 LYS A 65 0.799 -24.967 5.099 1.00 13.40 H new ATOM 0 HB3 LYS A 65 1.461 -26.511 5.599 1.00 13.40 H new ATOM 0 HG2 LYS A 65 0.214 -27.608 3.704 1.00 62.41 H new ATOM 0 HG3 LYS A 65 -0.317 -26.023 3.178 1.00 62.41 H new ATOM 0 HD2 LYS A 65 1.980 -25.290 2.823 1.00 63.23 H new ATOM 0 HD3 LYS A 65 2.616 -26.741 3.572 1.00 63.23 H new ATOM 0 HE2 LYS A 65 1.599 -28.104 1.725 1.00 51.33 H new ATOM 0 HE3 LYS A 65 1.052 -26.624 0.963 1.00 51.33 H new ATOM 0 HZ1 LYS A 65 3.194 -27.493 0.105 1.00 23.31 H new ATOM 0 HZ2 LYS A 65 3.290 -25.897 0.678 1.00 23.31 H new ATOM 0 HZ3 LYS A 65 3.899 -27.174 1.616 1.00 23.31 H new ATOM 1068 N PHE A 66 -0.508 -28.708 6.247 1.00 0.21 N ATOM 1069 CA PHE A 66 -0.966 -30.094 6.102 1.00 13.12 C ATOM 1070 C PHE A 66 -2.330 -30.302 6.783 1.00 10.13 C ATOM 1071 O PHE A 66 -3.180 -31.031 6.275 1.00 65.25 O ATOM 1072 CB PHE A 66 0.074 -31.062 6.686 1.00 24.32 C ATOM 1073 CG PHE A 66 -0.260 -32.519 6.464 1.00 4.43 C ATOM 1074 CD1 PHE A 66 -0.014 -33.120 5.237 1.00 63.20 C ATOM 1075 CD2 PHE A 66 -0.829 -33.285 7.474 1.00 2.42 C ATOM 1076 CE1 PHE A 66 -0.325 -34.450 5.024 1.00 62.41 C ATOM 1077 CE2 PHE A 66 -1.143 -34.614 7.263 1.00 32.21 C ATOM 1078 CZ PHE A 66 -0.891 -35.196 6.037 1.00 61.53 C ATOM 0 H PHE A 66 0.383 -28.609 6.733 1.00 0.21 H new ATOM 0 HA PHE A 66 -1.085 -30.301 5.038 1.00 13.12 H new ATOM 0 HB2 PHE A 66 1.046 -30.849 6.240 1.00 24.32 H new ATOM 0 HB3 PHE A 66 0.167 -30.879 7.756 1.00 24.32 H new ATOM 0 HD1 PHE A 66 0.426 -32.541 4.439 1.00 63.20 H new ATOM 0 HD2 PHE A 66 -1.028 -32.836 8.436 1.00 2.42 H new ATOM 0 HE1 PHE A 66 -0.125 -34.905 4.065 1.00 62.41 H new ATOM 0 HE2 PHE A 66 -1.585 -35.197 8.057 1.00 32.21 H new ATOM 0 HZ PHE A 66 -1.137 -36.234 5.871 1.00 61.53 H new ATOM 1088 N ILE A 67 -2.530 -29.654 7.932 1.00 51.21 N ATOM 1089 CA ILE A 67 -3.818 -29.701 8.636 1.00 60.13 C ATOM 1090 C ILE A 67 -4.940 -29.104 7.772 1.00 15.41 C ATOM 1091 O ILE A 67 -6.052 -29.634 7.725 1.00 52.43 O ATOM 1092 CB ILE A 67 -3.750 -28.946 9.990 1.00 22.25 C ATOM 1093 CG1 ILE A 67 -2.670 -29.569 10.890 1.00 12.13 C ATOM 1094 CG2 ILE A 67 -5.111 -28.961 10.693 1.00 33.53 C ATOM 1095 CD1 ILE A 67 -2.466 -28.839 12.204 1.00 51.43 C ATOM 0 H ILE A 67 -1.818 -29.090 8.397 1.00 51.21 H new ATOM 0 HA ILE A 67 -4.039 -30.750 8.832 1.00 60.13 H new ATOM 0 HB ILE A 67 -3.485 -27.907 9.792 1.00 22.25 H new ATOM 0 HG12 ILE A 67 -2.939 -30.604 11.099 1.00 12.13 H new ATOM 0 HG13 ILE A 67 -1.725 -29.589 10.346 1.00 12.13 H new ATOM 0 HG21 ILE A 67 -5.037 -28.426 11.640 1.00 33.53 H new ATOM 0 HG22 ILE A 67 -5.853 -28.477 10.059 1.00 33.53 H new ATOM 0 HG23 ILE A 67 -5.412 -29.992 10.881 1.00 33.53 H new ATOM 0 HD11 ILE A 67 -1.689 -29.340 12.781 1.00 51.43 H new ATOM 0 HD12 ILE A 67 -2.165 -27.810 12.006 1.00 51.43 H new ATOM 0 HD13 ILE A 67 -3.397 -28.842 12.770 1.00 51.43 H new ATOM 1107 N ARG A 68 -4.632 -28.008 7.081 1.00 62.40 N ATOM 1108 CA ARG A 68 -5.584 -27.375 6.161 1.00 5.25 C ATOM 1109 C ARG A 68 -6.042 -28.383 5.097 1.00 20.54 C ATOM 1110 O ARG A 68 -7.231 -28.678 4.968 1.00 41.15 O ATOM 1111 CB ARG A 68 -4.925 -26.148 5.498 1.00 45.31 C ATOM 1112 CG ARG A 68 -5.897 -25.152 4.854 1.00 44.42 C ATOM 1113 CD ARG A 68 -6.593 -25.702 3.613 1.00 51.22 C ATOM 1114 NE ARG A 68 -5.643 -26.134 2.589 1.00 60.41 N ATOM 1115 CZ ARG A 68 -5.625 -25.674 1.366 1.00 41.21 C ATOM 1116 NH1 ARG A 68 -6.426 -24.714 1.010 1.00 4.21 N ATOM 1117 NH2 ARG A 68 -4.796 -26.166 0.503 1.00 32.11 N ATOM 0 H ARG A 68 -3.729 -27.537 7.139 1.00 62.40 H new ATOM 0 HA ARG A 68 -6.460 -27.046 6.720 1.00 5.25 H new ATOM 0 HB2 ARG A 68 -4.336 -25.622 6.249 1.00 45.31 H new ATOM 0 HB3 ARG A 68 -4.230 -26.497 4.735 1.00 45.31 H new ATOM 0 HG2 ARG A 68 -6.651 -24.865 5.587 1.00 44.42 H new ATOM 0 HG3 ARG A 68 -5.353 -24.247 4.585 1.00 44.42 H new ATOM 0 HD2 ARG A 68 -7.225 -26.543 3.897 1.00 51.22 H new ATOM 0 HD3 ARG A 68 -7.248 -24.937 3.198 1.00 51.22 H new ATOM 0 HE ARG A 68 -4.951 -26.838 2.845 1.00 60.41 H new ATOM 0 HH11 ARG A 68 -7.075 -24.314 1.687 1.00 4.21 H new ATOM 0 HH12 ARG A 68 -6.405 -24.361 0.053 1.00 4.21 H new ATOM 0 HH21 ARG A 68 -4.157 -26.912 0.777 1.00 32.11 H new ATOM 0 HH22 ARG A 68 -4.781 -25.808 -0.452 1.00 32.11 H new ATOM 1131 N ASP A 69 -5.084 -28.912 4.342 1.00 3.21 N ATOM 1132 CA ASP A 69 -5.374 -29.902 3.301 1.00 63.25 C ATOM 1133 C ASP A 69 -5.888 -31.229 3.895 1.00 54.24 C ATOM 1134 O ASP A 69 -6.475 -32.049 3.192 1.00 71.04 O ATOM 1135 CB ASP A 69 -4.127 -30.130 2.446 1.00 60.11 C ATOM 1136 CG ASP A 69 -3.725 -28.873 1.691 1.00 2.34 C ATOM 1137 OD1 ASP A 69 -3.252 -27.911 2.330 1.00 65.21 O ATOM 1138 OD2 ASP A 69 -3.911 -28.823 0.460 1.00 11.43 O ATOM 0 H ASP A 69 -4.096 -28.673 4.429 1.00 3.21 H new ATOM 0 HA ASP A 69 -6.173 -29.510 2.671 1.00 63.25 H new ATOM 0 HB2 ASP A 69 -3.303 -30.451 3.083 1.00 60.11 H new ATOM 0 HB3 ASP A 69 -4.315 -30.936 1.737 1.00 60.11 H new ATOM 1143 N SER A 70 -5.651 -31.447 5.184 1.00 4.13 N ATOM 1144 CA SER A 70 -6.228 -32.602 5.891 1.00 54.33 C ATOM 1145 C SER A 70 -7.692 -32.330 6.281 1.00 30.24 C ATOM 1146 O SER A 70 -8.477 -33.255 6.497 1.00 23.05 O ATOM 1147 CB SER A 70 -5.407 -32.929 7.148 1.00 40.12 C ATOM 1148 OG SER A 70 -5.939 -34.047 7.848 1.00 32.42 O ATOM 0 H SER A 70 -5.067 -30.846 5.765 1.00 4.13 H new ATOM 0 HA SER A 70 -6.200 -33.457 5.216 1.00 54.33 H new ATOM 0 HB2 SER A 70 -4.375 -33.135 6.865 1.00 40.12 H new ATOM 0 HB3 SER A 70 -5.390 -32.061 7.807 1.00 40.12 H new ATOM 0 HG SER A 70 -5.392 -34.227 8.641 1.00 32.42 H new ATOM 1154 N LEU A 71 -8.047 -31.052 6.380 1.00 42.13 N ATOM 1155 CA LEU A 71 -9.405 -30.635 6.750 1.00 20.44 C ATOM 1156 C LEU A 71 -10.328 -30.555 5.516 1.00 53.42 C ATOM 1157 O LEU A 71 -11.338 -31.260 5.432 1.00 4.42 O ATOM 1158 CB LEU A 71 -9.340 -29.281 7.471 1.00 63.41 C ATOM 1159 CG LEU A 71 -10.665 -28.762 8.050 1.00 25.53 C ATOM 1160 CD1 LEU A 71 -11.285 -29.784 9.000 1.00 72.11 C ATOM 1161 CD2 LEU A 71 -10.445 -27.424 8.756 1.00 53.10 C ATOM 0 H LEU A 71 -7.408 -30.276 6.208 1.00 42.13 H new ATOM 0 HA LEU A 71 -9.830 -31.383 7.420 1.00 20.44 H new ATOM 0 HB2 LEU A 71 -8.617 -29.359 8.283 1.00 63.41 H new ATOM 0 HB3 LEU A 71 -8.956 -28.538 6.772 1.00 63.41 H new ATOM 0 HG LEU A 71 -11.363 -28.609 7.227 1.00 25.53 H new ATOM 0 HD11 LEU A 71 -12.222 -29.392 9.396 1.00 72.11 H new ATOM 0 HD12 LEU A 71 -11.479 -30.711 8.461 1.00 72.11 H new ATOM 0 HD13 LEU A 71 -10.597 -29.980 9.823 1.00 72.11 H new ATOM 0 HD21 LEU A 71 -11.391 -27.067 9.162 1.00 53.10 H new ATOM 0 HD22 LEU A 71 -9.728 -27.554 9.567 1.00 53.10 H new ATOM 0 HD23 LEU A 71 -10.058 -26.696 8.043 1.00 53.10 H new ATOM 1173 N GLU A 72 -9.982 -29.686 4.564 1.00 72.31 N ATOM 1174 CA GLU A 72 -10.740 -29.573 3.309 1.00 71.05 C ATOM 1175 C GLU A 72 -10.502 -30.795 2.404 1.00 63.42 C ATOM 1176 O GLU A 72 -9.634 -30.770 1.531 1.00 23.12 O ATOM 1177 CB GLU A 72 -10.369 -28.277 2.559 1.00 12.41 C ATOM 1178 CG GLU A 72 -11.007 -27.007 3.124 1.00 55.15 C ATOM 1179 CD GLU A 72 -10.681 -26.765 4.592 1.00 22.32 C ATOM 1180 OE1 GLU A 72 -9.537 -26.367 4.895 1.00 25.32 O ATOM 1181 OE2 GLU A 72 -11.571 -26.972 5.445 1.00 14.33 O ATOM 0 H GLU A 72 -9.186 -29.052 4.634 1.00 72.31 H new ATOM 0 HA GLU A 72 -11.799 -29.537 3.566 1.00 71.05 H new ATOM 0 HB2 GLU A 72 -9.285 -28.161 2.576 1.00 12.41 H new ATOM 0 HB3 GLU A 72 -10.663 -28.381 1.514 1.00 12.41 H new ATOM 0 HG2 GLU A 72 -10.672 -26.150 2.539 1.00 55.15 H new ATOM 0 HG3 GLU A 72 -12.089 -27.070 3.006 1.00 55.15 H new ATOM 1188 N HIS A 73 -11.276 -31.862 2.627 1.00 1.54 N ATOM 1189 CA HIS A 73 -11.107 -33.127 1.892 1.00 1.32 C ATOM 1190 C HIS A 73 -11.297 -32.963 0.372 1.00 2.05 C ATOM 1191 O HIS A 73 -12.419 -32.934 -0.132 1.00 13.41 O ATOM 1192 CB HIS A 73 -12.076 -34.192 2.427 1.00 63.31 C ATOM 1193 CG HIS A 73 -11.931 -35.529 1.754 1.00 75.53 C ATOM 1194 ND1 HIS A 73 -10.903 -36.404 2.029 1.00 20.05 N ATOM 1195 CD2 HIS A 73 -12.683 -36.132 0.802 1.00 72.33 C ATOM 1196 CE1 HIS A 73 -11.025 -37.479 1.279 1.00 54.42 C ATOM 1197 NE2 HIS A 73 -12.096 -37.342 0.527 1.00 13.51 N ATOM 0 H HIS A 73 -12.030 -31.878 3.313 1.00 1.54 H new ATOM 0 HA HIS A 73 -10.079 -33.449 2.057 1.00 1.32 H new ATOM 0 HB2 HIS A 73 -11.914 -34.314 3.498 1.00 63.31 H new ATOM 0 HB3 HIS A 73 -13.099 -33.838 2.298 1.00 63.31 H new ATOM 0 HD2 HIS A 73 -13.577 -35.735 0.345 1.00 72.33 H new ATOM 0 HE1 HIS A 73 -10.359 -38.329 1.281 1.00 54.42 H new ATOM 0 HE2 HIS A 73 -12.435 -38.025 -0.151 1.00 13.51 H new ATOM 1206 N HIS A 74 -10.178 -32.854 -0.343 1.00 42.45 N ATOM 1207 CA HIS A 74 -10.167 -32.772 -1.813 1.00 61.31 C ATOM 1208 C HIS A 74 -8.891 -33.413 -2.393 1.00 0.31 C ATOM 1209 O HIS A 74 -8.866 -33.843 -3.546 1.00 34.42 O ATOM 1210 CB HIS A 74 -10.265 -31.311 -2.277 1.00 35.40 C ATOM 1211 CG HIS A 74 -11.557 -30.640 -1.922 1.00 32.31 C ATOM 1212 ND1 HIS A 74 -12.763 -30.981 -2.494 1.00 13.54 N ATOM 1213 CD2 HIS A 74 -11.833 -29.654 -1.033 1.00 73.22 C ATOM 1214 CE1 HIS A 74 -13.720 -30.240 -1.978 1.00 24.41 C ATOM 1215 NE2 HIS A 74 -13.185 -29.427 -1.091 1.00 61.52 N ATOM 0 H HIS A 74 -9.249 -32.820 0.076 1.00 42.45 H new ATOM 0 HA HIS A 74 -11.034 -33.322 -2.180 1.00 61.31 H new ATOM 0 HB2 HIS A 74 -9.442 -30.746 -1.838 1.00 35.40 H new ATOM 0 HB3 HIS A 74 -10.135 -31.275 -3.359 1.00 35.40 H new ATOM 0 HD2 HIS A 74 -11.123 -29.144 -0.399 1.00 73.22 H new ATOM 0 HE1 HIS A 74 -14.767 -30.290 -2.238 1.00 24.41 H new ATOM 0 HE2 HIS A 74 -13.694 -28.739 -0.536 1.00 61.52 H new ATOM 1224 N HIS A 75 -7.831 -33.464 -1.584 1.00 52.54 N ATOM 1225 CA HIS A 75 -6.553 -34.059 -1.994 1.00 55.24 C ATOM 1226 C HIS A 75 -6.483 -35.539 -1.585 1.00 41.12 C ATOM 1227 O HIS A 75 -6.619 -35.873 -0.408 1.00 64.24 O ATOM 1228 CB HIS A 75 -5.382 -33.300 -1.354 1.00 53.30 C ATOM 1229 CG HIS A 75 -5.363 -31.827 -1.650 1.00 10.25 C ATOM 1230 ND1 HIS A 75 -4.604 -31.270 -2.655 1.00 64.20 N ATOM 1231 CD2 HIS A 75 -5.997 -30.793 -1.051 1.00 55.34 C ATOM 1232 CE1 HIS A 75 -4.768 -29.962 -2.655 1.00 24.41 C ATOM 1233 NE2 HIS A 75 -5.608 -29.645 -1.693 1.00 53.14 N ATOM 0 H HIS A 75 -7.831 -33.097 -0.632 1.00 52.54 H new ATOM 0 HA HIS A 75 -6.483 -33.988 -3.079 1.00 55.24 H new ATOM 0 HB2 HIS A 75 -5.420 -33.441 -0.274 1.00 53.30 H new ATOM 0 HB3 HIS A 75 -4.447 -33.740 -1.700 1.00 53.30 H new ATOM 0 HD2 HIS A 75 -6.683 -30.859 -0.220 1.00 55.34 H new ATOM 0 HE1 HIS A 75 -4.293 -29.267 -3.331 1.00 24.41 H new ATOM 0 HE2 HIS A 75 -5.919 -28.701 -1.463 1.00 53.14 H new ATOM 1242 N HIS A 76 -6.263 -36.420 -2.555 1.00 10.41 N ATOM 1243 CA HIS A 76 -6.153 -37.855 -2.282 1.00 32.32 C ATOM 1244 C HIS A 76 -4.739 -38.242 -1.817 1.00 74.12 C ATOM 1245 O HIS A 76 -3.743 -37.662 -2.255 1.00 33.03 O ATOM 1246 CB HIS A 76 -6.552 -38.667 -3.522 1.00 32.02 C ATOM 1247 CG HIS A 76 -8.036 -38.755 -3.724 1.00 24.14 C ATOM 1248 ND1 HIS A 76 -8.741 -39.930 -3.587 1.00 32.51 N ATOM 1249 CD2 HIS A 76 -8.957 -37.808 -4.036 1.00 53.14 C ATOM 1250 CE1 HIS A 76 -10.020 -39.705 -3.801 1.00 1.40 C ATOM 1251 NE2 HIS A 76 -10.181 -38.428 -4.074 1.00 31.02 N ATOM 0 H HIS A 76 -6.157 -36.169 -3.538 1.00 10.41 H new ATOM 0 HA HIS A 76 -6.840 -38.089 -1.469 1.00 32.32 H new ATOM 0 HB2 HIS A 76 -6.099 -38.215 -4.404 1.00 32.02 H new ATOM 0 HB3 HIS A 76 -6.144 -39.674 -3.434 1.00 32.02 H new ATOM 0 HD2 HIS A 76 -8.763 -36.762 -4.220 1.00 53.14 H new ATOM 0 HE1 HIS A 76 -10.806 -40.445 -3.759 1.00 1.40 H new ATOM 0 HE2 HIS A 76 -11.070 -37.973 -4.280 1.00 31.02 H new ATOM 1260 N HIS A 77 -4.668 -39.227 -0.923 1.00 63.13 N ATOM 1261 CA HIS A 77 -3.391 -39.704 -0.381 1.00 41.12 C ATOM 1262 C HIS A 77 -2.554 -40.429 -1.448 1.00 20.53 C ATOM 1263 O HIS A 77 -2.920 -41.510 -1.908 1.00 31.33 O ATOM 1264 CB HIS A 77 -3.647 -40.643 0.807 1.00 23.02 C ATOM 1265 CG HIS A 77 -2.404 -41.291 1.347 1.00 33.45 C ATOM 1266 ND1 HIS A 77 -1.850 -42.426 0.794 1.00 21.43 N ATOM 1267 CD2 HIS A 77 -1.609 -40.962 2.394 1.00 63.54 C ATOM 1268 CE1 HIS A 77 -0.777 -42.769 1.475 1.00 63.13 C ATOM 1269 NE2 HIS A 77 -0.609 -41.900 2.448 1.00 43.13 N ATOM 0 H HIS A 77 -5.485 -39.715 -0.555 1.00 63.13 H new ATOM 0 HA HIS A 77 -2.825 -38.834 -0.048 1.00 41.12 H new ATOM 0 HB2 HIS A 77 -4.128 -40.079 1.606 1.00 23.02 H new ATOM 0 HB3 HIS A 77 -4.346 -41.420 0.499 1.00 23.02 H new ATOM 0 HD2 HIS A 77 -1.738 -40.121 3.059 1.00 63.54 H new ATOM 0 HE1 HIS A 77 -0.143 -43.619 1.270 1.00 63.13 H new ATOM 0 HE2 HIS A 77 0.145 -41.920 3.134 1.00 43.13 H new ATOM 1278 N HIS A 78 -1.430 -39.830 -1.833 1.00 44.05 N ATOM 1279 CA HIS A 78 -0.482 -40.473 -2.755 1.00 61.13 C ATOM 1280 C HIS A 78 0.500 -41.383 -1.990 1.00 52.23 C ATOM 1281 O HIS A 78 1.475 -40.859 -1.412 1.00 38.68 O ATOM 1282 CB HIS A 78 0.287 -39.408 -3.557 1.00 31.24 C ATOM 1283 CG HIS A 78 1.367 -39.977 -4.431 1.00 14.00 C ATOM 1284 ND1 HIS A 78 1.111 -40.758 -5.536 1.00 0.31 N ATOM 1285 CD2 HIS A 78 2.716 -39.884 -4.349 1.00 50.13 C ATOM 1286 CE1 HIS A 78 2.247 -41.124 -6.091 1.00 63.34 C ATOM 1287 NE2 HIS A 78 3.238 -40.606 -5.394 1.00 11.34 N ATOM 1288 OXT HIS A 78 0.290 -42.618 -1.973 1.00 38.68 O ATOM 0 H HIS A 78 -1.148 -38.900 -1.524 1.00 44.05 H new ATOM 0 HA HIS A 78 -1.049 -41.094 -3.449 1.00 61.13 H new ATOM 0 HB2 HIS A 78 -0.417 -38.854 -4.178 1.00 31.24 H new ATOM 0 HB3 HIS A 78 0.731 -38.694 -2.864 1.00 31.24 H new ATOM 0 HD2 HIS A 78 3.277 -39.343 -3.601 1.00 50.13 H new ATOM 0 HE1 HIS A 78 2.350 -41.744 -6.969 1.00 63.34 H new ATOM 0 HE2 HIS A 78 4.231 -40.722 -5.597 1.00 11.34 H new TER 1297 HIS A 78