USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 934 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 71 ASN : amide:sc= -2.55 K(o=-5.1,f=-9.8!) USER MOD Set 1.2: A 73 MET CE :methyl 178:sc= -2.53! (180deg=-2!) USER MOD Set 1.3: A 91 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 62 SER OG : rot -54:sc= 0.966 USER MOD Set 2.2: A 81 GLN : amide:sc= 0.411 K(o=1.4,f=0.017) USER MOD Set 3.1: A 47 LYS NZ :NH3+ -124:sc= 0 (180deg=0) USER MOD Set 3.2: A 48 ASN :FLIP amide:sc= -0.0855 F(o=-1.5!,f=-0.085) USER MOD Single : A 1 GLN : amide:sc= -1.37 K(o=-1.4,f=-2.6!) USER MOD Single : A 1 GLN N :NH3+ -140:sc= -0.369 (180deg=-2.68!) USER MOD Single : A 3 ASN : amide:sc= -0.465 X(o=-0.47,f=-0.56) USER MOD Single : A 14 THR OG1 : rot 180:sc= -1.86! USER MOD Single : A 15 GLN :FLIP amide:sc= -1.73 F(o=-12!,f=-1.7) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 113:sc= 0.917 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc=-0.00252 K(o=-0.0025,f=-1.3!) USER MOD Single : A 30 TYR OH : rot 180:sc= -1.52! USER MOD Single : A 36 TYR OH : rot 172:sc= -0.87 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -62:sc= 0.00262 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.065 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -1.29! X(o=-1.3!,f=-1.4) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot -110:sc= -1.02 USER MOD Single : A 85 GLN : amide:sc= -0.852 X(o=-0.85,f=-0.89) USER MOD Single : A 87 LYS NZ :NH3+ -128:sc= -0.0411 (180deg=-0.375) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0.0179 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 100:sc= -0.252 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.178 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= -0.0728 USER MOD Single : A 115 GLN : amide:sc= -4.95! C(o=-4.9!,f=-8.1!) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 23.374 -7.882 -16.949 1.00 0.00 N ATOM 2 CA GLN A 1 22.832 -9.195 -17.224 1.00 0.00 C ATOM 3 C GLN A 1 21.323 -9.218 -16.968 1.00 0.00 C ATOM 4 O GLN A 1 20.513 -9.355 -17.893 1.00 0.00 O ATOM 5 CB GLN A 1 23.532 -10.096 -16.266 1.00 0.00 C ATOM 6 CG GLN A 1 25.036 -10.044 -16.463 1.00 0.00 C ATOM 7 CD GLN A 1 25.768 -10.345 -15.200 1.00 0.00 C ATOM 8 OE1 GLN A 1 26.077 -11.479 -14.880 1.00 0.00 O ATOM 9 NE2 GLN A 1 26.043 -9.265 -14.452 1.00 0.00 N ATOM 0 H1 GLN A 1 24.085 -7.642 -17.669 1.00 0.00 H new ATOM 0 H2 GLN A 1 22.608 -7.179 -16.971 1.00 0.00 H new ATOM 0 H3 GLN A 1 23.819 -7.880 -16.009 1.00 0.00 H new ATOM 0 HA GLN A 1 22.979 -9.494 -18.262 1.00 0.00 H new ATOM 0 HB2 GLN A 1 23.286 -9.806 -15.244 1.00 0.00 H new ATOM 0 HB3 GLN A 1 23.180 -11.119 -16.401 1.00 0.00 H new ATOM 0 HG2 GLN A 1 25.327 -10.760 -17.232 1.00 0.00 H new ATOM 0 HG3 GLN A 1 25.322 -9.056 -16.823 1.00 0.00 H new ATOM 0 HE21 GLN A 1 25.760 -8.338 -14.771 1.00 0.00 H new ATOM 0 HE22 GLN A 1 26.535 -9.371 -13.565 1.00 0.00 H new ATOM 18 N CYS A 2 20.967 -9.045 -15.688 1.00 0.00 N ATOM 19 CA CYS A 2 19.572 -9.032 -15.236 1.00 0.00 C ATOM 20 C CYS A 2 18.908 -7.728 -15.666 1.00 0.00 C ATOM 21 O CYS A 2 17.688 -7.612 -15.682 1.00 0.00 O ATOM 22 CB CYS A 2 19.515 -9.257 -13.736 1.00 0.00 C ATOM 23 SG CYS A 2 20.598 -10.664 -13.239 1.00 0.00 S ATOM 0 H CYS A 2 21.642 -8.910 -14.935 1.00 0.00 H new ATOM 0 HA CYS A 2 19.014 -9.846 -15.700 1.00 0.00 H new ATOM 0 HB2 CYS A 2 19.828 -8.351 -13.216 1.00 0.00 H new ATOM 0 HB3 CYS A 2 18.488 -9.459 -13.434 1.00 0.00 H new ATOM 28 N ASN A 3 19.756 -6.717 -15.966 1.00 0.00 N ATOM 29 CA ASN A 3 19.305 -5.428 -16.474 1.00 0.00 C ATOM 30 C ASN A 3 18.332 -4.705 -15.531 1.00 0.00 C ATOM 31 O ASN A 3 17.440 -4.000 -15.972 1.00 0.00 O ATOM 32 CB ASN A 3 18.614 -5.735 -17.778 1.00 0.00 C ATOM 33 CG ASN A 3 18.323 -4.560 -18.615 1.00 0.00 C ATOM 34 OD1 ASN A 3 19.110 -3.631 -18.738 1.00 0.00 O ATOM 35 ND2 ASN A 3 17.148 -4.575 -19.131 1.00 0.00 N ATOM 0 H ASN A 3 20.768 -6.785 -15.858 1.00 0.00 H new ATOM 0 HA ASN A 3 20.157 -4.756 -16.580 1.00 0.00 H new ATOM 0 HB2 ASN A 3 19.236 -6.425 -18.349 1.00 0.00 H new ATOM 0 HB3 ASN A 3 17.678 -6.252 -17.564 1.00 0.00 H new ATOM 0 HD21 ASN A 3 16.822 -3.780 -19.681 1.00 0.00 H new ATOM 0 HD22 ASN A 3 16.540 -5.382 -18.991 1.00 0.00 H new ATOM 42 N ALA A 4 18.600 -4.822 -14.221 1.00 0.00 N ATOM 43 CA ALA A 4 17.831 -4.139 -13.155 1.00 0.00 C ATOM 44 C ALA A 4 16.344 -4.514 -13.180 1.00 0.00 C ATOM 45 O ALA A 4 15.676 -4.328 -14.176 1.00 0.00 O ATOM 46 CB ALA A 4 17.991 -2.610 -13.252 1.00 0.00 C ATOM 0 H ALA A 4 19.362 -5.397 -13.863 1.00 0.00 H new ATOM 0 HA ALA A 4 18.243 -4.480 -12.205 1.00 0.00 H new ATOM 0 HB1 ALA A 4 17.416 -2.133 -12.458 1.00 0.00 H new ATOM 0 HB2 ALA A 4 19.044 -2.347 -13.147 1.00 0.00 H new ATOM 0 HB3 ALA A 4 17.626 -2.267 -14.220 1.00 0.00 H new ATOM 52 N PRO A 5 15.807 -5.047 -12.085 1.00 0.00 N ATOM 53 CA PRO A 5 14.411 -5.438 -12.076 1.00 0.00 C ATOM 54 C PRO A 5 13.498 -4.209 -12.145 1.00 0.00 C ATOM 55 O PRO A 5 12.766 -4.029 -13.106 1.00 0.00 O ATOM 56 CB PRO A 5 14.253 -6.184 -10.745 1.00 0.00 C ATOM 57 CG PRO A 5 15.395 -5.752 -9.883 1.00 0.00 C ATOM 58 CD PRO A 5 16.477 -5.237 -10.789 1.00 0.00 C ATOM 0 HA PRO A 5 14.134 -6.052 -12.933 1.00 0.00 H new ATOM 0 HB2 PRO A 5 13.299 -5.944 -10.276 1.00 0.00 H new ATOM 0 HB3 PRO A 5 14.269 -7.263 -10.900 1.00 0.00 H new ATOM 0 HG2 PRO A 5 15.077 -4.976 -9.186 1.00 0.00 H new ATOM 0 HG3 PRO A 5 15.761 -6.587 -9.285 1.00 0.00 H new ATOM 0 HD2 PRO A 5 16.896 -4.302 -10.417 1.00 0.00 H new ATOM 0 HD3 PRO A 5 17.301 -5.946 -10.867 1.00 0.00 H new ATOM 66 N GLU A 6 13.647 -3.362 -11.124 1.00 0.00 N ATOM 67 CA GLU A 6 13.010 -2.048 -11.006 1.00 0.00 C ATOM 68 C GLU A 6 13.004 -1.678 -9.546 1.00 0.00 C ATOM 69 O GLU A 6 13.306 -2.514 -8.675 1.00 0.00 O ATOM 70 CB GLU A 6 11.536 -1.979 -11.513 1.00 0.00 C ATOM 71 CG GLU A 6 10.494 -2.719 -10.643 1.00 0.00 C ATOM 72 CD GLU A 6 9.068 -2.527 -11.156 1.00 0.00 C ATOM 73 OE1 GLU A 6 8.559 -1.373 -11.073 1.00 0.00 O ATOM 74 OE2 GLU A 6 8.451 -3.492 -11.633 1.00 0.00 O ATOM 0 H GLU A 6 14.239 -3.582 -10.323 1.00 0.00 H new ATOM 0 HA GLU A 6 13.585 -1.369 -11.636 1.00 0.00 H new ATOM 0 HB2 GLU A 6 11.244 -0.931 -11.585 1.00 0.00 H new ATOM 0 HB3 GLU A 6 11.498 -2.390 -12.522 1.00 0.00 H new ATOM 0 HG2 GLU A 6 10.730 -3.783 -10.623 1.00 0.00 H new ATOM 0 HG3 GLU A 6 10.560 -2.359 -9.616 1.00 0.00 H new ATOM 81 N TRP A 7 12.690 -0.457 -9.262 1.00 0.00 N ATOM 82 CA TRP A 7 12.398 -0.104 -7.913 1.00 0.00 C ATOM 83 C TRP A 7 10.988 -0.474 -7.641 1.00 0.00 C ATOM 84 O TRP A 7 10.059 0.050 -8.250 1.00 0.00 O ATOM 85 CB TRP A 7 12.641 1.378 -7.627 1.00 0.00 C ATOM 86 CG TRP A 7 12.164 1.792 -6.279 1.00 0.00 C ATOM 87 CD1 TRP A 7 12.686 1.471 -5.062 1.00 0.00 C ATOM 88 CD2 TRP A 7 11.056 2.646 -6.029 1.00 0.00 C ATOM 89 NE1 TRP A 7 11.909 2.035 -4.064 1.00 0.00 N ATOM 90 CE2 TRP A 7 10.925 2.778 -4.640 1.00 0.00 C ATOM 91 CE3 TRP A 7 10.150 3.302 -6.862 1.00 0.00 C ATOM 92 CZ2 TRP A 7 9.915 3.552 -4.063 1.00 0.00 C ATOM 93 CZ3 TRP A 7 9.156 4.063 -6.297 1.00 0.00 C ATOM 94 CH2 TRP A 7 9.038 4.194 -4.913 1.00 0.00 C ATOM 0 H TRP A 7 12.629 0.305 -9.937 1.00 0.00 H new ATOM 0 HA TRP A 7 13.073 -0.647 -7.251 1.00 0.00 H new ATOM 0 HB2 TRP A 7 13.707 1.589 -7.711 1.00 0.00 H new ATOM 0 HB3 TRP A 7 12.137 1.977 -8.385 1.00 0.00 H new ATOM 0 HD1 TRP A 7 13.569 0.870 -4.901 1.00 0.00 H new ATOM 0 HE1 TRP A 7 12.051 1.913 -3.061 1.00 0.00 H new ATOM 0 HE3 TRP A 7 10.229 3.213 -7.935 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 9.824 3.644 -2.991 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 8.451 4.571 -6.938 1.00 0.00 H new ATOM 0 HH2 TRP A 7 8.249 4.806 -4.501 1.00 0.00 H new ATOM 105 N LEU A 8 10.804 -1.376 -6.701 1.00 0.00 N ATOM 106 CA LEU A 8 9.520 -1.871 -6.396 1.00 0.00 C ATOM 107 C LEU A 8 8.955 -1.036 -5.246 1.00 0.00 C ATOM 108 O LEU A 8 9.458 -1.067 -4.148 1.00 0.00 O ATOM 109 CB LEU A 8 9.638 -3.337 -6.050 1.00 0.00 C ATOM 110 CG LEU A 8 8.358 -4.137 -6.164 1.00 0.00 C ATOM 111 CD1 LEU A 8 8.641 -5.600 -6.377 1.00 0.00 C ATOM 112 CD2 LEU A 8 7.561 -3.955 -4.958 1.00 0.00 C ATOM 0 H LEU A 8 11.555 -1.774 -6.138 1.00 0.00 H new ATOM 0 HA LEU A 8 8.836 -1.790 -7.240 1.00 0.00 H new ATOM 0 HB2 LEU A 8 10.387 -3.787 -6.701 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.010 -3.423 -5.029 1.00 0.00 H new ATOM 0 HG LEU A 8 7.805 -3.775 -7.030 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.700 -6.145 -6.455 1.00 0.00 H new ATOM 0 HD12 LEU A 8 9.213 -5.730 -7.296 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.215 -5.986 -5.535 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.639 -4.531 -5.041 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.127 -4.298 -4.092 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.319 -2.899 -4.838 1.00 0.00 H new ATOM 124 N PRO A 9 7.913 -0.271 -5.480 1.00 0.00 N ATOM 125 CA PRO A 9 7.422 0.681 -4.483 1.00 0.00 C ATOM 126 C PRO A 9 6.931 0.013 -3.192 1.00 0.00 C ATOM 127 O PRO A 9 6.935 0.640 -2.122 1.00 0.00 O ATOM 128 CB PRO A 9 6.284 1.405 -5.201 1.00 0.00 C ATOM 129 CG PRO A 9 5.854 0.456 -6.287 1.00 0.00 C ATOM 130 CD PRO A 9 7.088 -0.299 -6.687 1.00 0.00 C ATOM 0 HA PRO A 9 8.216 1.347 -4.146 1.00 0.00 H new ATOM 0 HB2 PRO A 9 5.462 1.626 -4.519 1.00 0.00 H new ATOM 0 HB3 PRO A 9 6.619 2.356 -5.615 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.080 -0.223 -5.929 1.00 0.00 H new ATOM 0 HG3 PRO A 9 5.435 0.997 -7.135 1.00 0.00 H new ATOM 0 HD2 PRO A 9 6.854 -1.320 -6.989 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.593 0.175 -7.529 1.00 0.00 H new ATOM 138 N PHE A 10 6.492 -1.233 -3.292 1.00 0.00 N ATOM 139 CA PHE A 10 6.030 -1.972 -2.129 1.00 0.00 C ATOM 140 C PHE A 10 7.219 -2.139 -1.185 1.00 0.00 C ATOM 141 O PHE A 10 7.115 -2.034 0.029 1.00 0.00 O ATOM 142 CB PHE A 10 5.700 -3.417 -2.466 1.00 0.00 C ATOM 143 CG PHE A 10 4.708 -3.698 -3.536 1.00 0.00 C ATOM 144 CD1 PHE A 10 3.932 -2.709 -4.122 1.00 0.00 C ATOM 145 CD2 PHE A 10 4.638 -4.988 -4.017 1.00 0.00 C ATOM 146 CE1 PHE A 10 3.073 -3.031 -5.172 1.00 0.00 C ATOM 147 CE2 PHE A 10 3.821 -5.324 -5.052 1.00 0.00 C ATOM 148 CZ PHE A 10 3.029 -4.356 -5.645 1.00 0.00 C ATOM 0 H PHE A 10 6.446 -1.753 -4.168 1.00 0.00 H new ATOM 0 HA PHE A 10 5.169 -1.432 -1.734 1.00 0.00 H new ATOM 0 HB2 PHE A 10 6.631 -3.911 -2.742 1.00 0.00 H new ATOM 0 HB3 PHE A 10 5.344 -3.895 -1.553 1.00 0.00 H new ATOM 0 HD1 PHE A 10 3.993 -1.691 -3.766 1.00 0.00 H new ATOM 0 HD2 PHE A 10 5.248 -5.753 -3.560 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.448 -2.272 -5.618 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.791 -6.343 -5.410 1.00 0.00 H new ATOM 0 HZ PHE A 10 2.380 -4.616 -6.468 1.00 0.00 H new ATOM 158 N ALA A 11 8.354 -2.463 -1.803 1.00 0.00 N ATOM 159 CA ALA A 11 9.513 -2.934 -1.088 1.00 0.00 C ATOM 160 C ALA A 11 10.830 -2.331 -1.623 1.00 0.00 C ATOM 161 O ALA A 11 11.073 -2.312 -2.807 1.00 0.00 O ATOM 162 CB ALA A 11 9.551 -4.438 -1.303 1.00 0.00 C ATOM 0 H ALA A 11 8.484 -2.402 -2.813 1.00 0.00 H new ATOM 0 HA ALA A 11 9.435 -2.644 -0.040 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.412 -4.858 -0.783 1.00 0.00 H new ATOM 0 HB2 ALA A 11 8.637 -4.885 -0.911 1.00 0.00 H new ATOM 0 HB3 ALA A 11 9.631 -4.651 -2.369 1.00 0.00 H new ATOM 168 N ARG A 12 11.727 -1.965 -0.739 1.00 0.00 N ATOM 169 CA ARG A 12 13.007 -1.444 -1.183 1.00 0.00 C ATOM 170 C ARG A 12 14.185 -2.290 -0.698 1.00 0.00 C ATOM 171 O ARG A 12 14.474 -2.344 0.500 1.00 0.00 O ATOM 172 CB ARG A 12 13.214 0.054 -0.836 1.00 0.00 C ATOM 173 CG ARG A 12 12.542 0.549 0.444 1.00 0.00 C ATOM 174 CD ARG A 12 13.125 -0.058 1.724 1.00 0.00 C ATOM 175 NE ARG A 12 12.311 -1.180 2.216 1.00 0.00 N ATOM 176 CZ ARG A 12 11.277 -1.046 3.060 1.00 0.00 C ATOM 177 NH1 ARG A 12 11.034 0.142 3.604 1.00 0.00 N ATOM 178 NH2 ARG A 12 10.512 -2.094 3.373 1.00 0.00 N ATOM 0 H ARG A 12 11.604 -2.014 0.272 1.00 0.00 H new ATOM 0 HA ARG A 12 12.979 -1.513 -2.270 1.00 0.00 H new ATOM 0 HB2 ARG A 12 14.285 0.242 -0.756 1.00 0.00 H new ATOM 0 HB3 ARG A 12 12.847 0.653 -1.669 1.00 0.00 H new ATOM 0 HG2 ARG A 12 12.632 1.634 0.494 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.478 0.319 0.396 1.00 0.00 H new ATOM 0 HD2 ARG A 12 14.141 -0.403 1.533 1.00 0.00 H new ATOM 0 HD3 ARG A 12 13.189 0.710 2.495 1.00 0.00 H new ATOM 0 HE ARG A 12 12.548 -2.119 1.895 1.00 0.00 H new ATOM 0 HH11 ARG A 12 11.630 0.938 3.378 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.251 0.258 4.247 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.711 -3.009 2.969 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.729 -1.980 4.016 1.00 0.00 H new ATOM 192 N PRO A 13 14.799 -3.036 -1.612 1.00 0.00 N ATOM 193 CA PRO A 13 15.992 -3.829 -1.339 1.00 0.00 C ATOM 194 C PRO A 13 17.148 -2.973 -0.961 1.00 0.00 C ATOM 195 O PRO A 13 17.326 -1.863 -1.485 1.00 0.00 O ATOM 196 CB PRO A 13 16.315 -4.530 -2.619 1.00 0.00 C ATOM 197 CG PRO A 13 15.136 -4.346 -3.480 1.00 0.00 C ATOM 198 CD PRO A 13 14.392 -3.140 -3.005 1.00 0.00 C ATOM 0 HA PRO A 13 15.808 -4.512 -0.510 1.00 0.00 H new ATOM 0 HB2 PRO A 13 17.208 -4.109 -3.082 1.00 0.00 H new ATOM 0 HB3 PRO A 13 16.514 -5.588 -2.447 1.00 0.00 H new ATOM 0 HG2 PRO A 13 15.441 -4.220 -4.519 1.00 0.00 H new ATOM 0 HG3 PRO A 13 14.496 -5.227 -3.441 1.00 0.00 H new ATOM 0 HD2 PRO A 13 14.662 -2.249 -3.572 1.00 0.00 H new ATOM 0 HD3 PRO A 13 13.314 -3.266 -3.103 1.00 0.00 H new ATOM 206 N THR A 14 17.921 -3.491 -0.115 1.00 0.00 N ATOM 207 CA THR A 14 19.032 -2.789 0.451 1.00 0.00 C ATOM 208 C THR A 14 20.123 -2.556 -0.620 1.00 0.00 C ATOM 209 O THR A 14 20.848 -1.566 -0.583 1.00 0.00 O ATOM 210 CB THR A 14 19.620 -3.599 1.606 1.00 0.00 C ATOM 211 OG1 THR A 14 20.202 -4.801 1.116 1.00 0.00 O ATOM 212 CG2 THR A 14 18.507 -4.055 2.501 1.00 0.00 C ATOM 0 H THR A 14 17.816 -4.445 0.230 1.00 0.00 H new ATOM 0 HA THR A 14 18.684 -1.824 0.820 1.00 0.00 H new ATOM 0 HB THR A 14 20.349 -2.970 2.117 1.00 0.00 H new ATOM 0 HG1 THR A 14 20.577 -5.311 1.864 1.00 0.00 H new ATOM 0 HG21 THR A 14 18.919 -4.634 3.328 1.00 0.00 H new ATOM 0 HG22 THR A 14 17.977 -3.187 2.894 1.00 0.00 H new ATOM 0 HG23 THR A 14 17.814 -4.676 1.933 1.00 0.00 H new ATOM 220 N GLN A 15 20.198 -3.519 -1.564 1.00 0.00 N ATOM 221 CA GLN A 15 21.320 -3.650 -2.496 1.00 0.00 C ATOM 222 C GLN A 15 21.000 -3.017 -3.849 1.00 0.00 C ATOM 223 O GLN A 15 21.827 -2.377 -4.451 1.00 0.00 O ATOM 224 CB GLN A 15 21.511 -5.140 -2.745 1.00 0.00 C ATOM 225 CG GLN A 15 21.364 -6.027 -1.511 1.00 0.00 C ATOM 226 CD GLN A 15 20.791 -7.358 -1.892 1.00 0.00 C ATOM 227 OE1 GLN A 15 19.812 -7.322 -2.807 1.00 0.00 O flip ATOM 228 NE2 GLN A 15 21.186 -8.397 -1.388 1.00 0.00 N flip ATOM 0 H GLN A 15 19.475 -4.226 -1.695 1.00 0.00 H new ATOM 0 HA GLN A 15 22.196 -3.161 -2.071 1.00 0.00 H new ATOM 0 HB2 GLN A 15 20.788 -5.463 -3.494 1.00 0.00 H new ATOM 0 HB3 GLN A 15 22.502 -5.297 -3.170 1.00 0.00 H new ATOM 0 HG2 GLN A 15 22.335 -6.164 -1.036 1.00 0.00 H new ATOM 0 HG3 GLN A 15 20.717 -5.541 -0.780 1.00 0.00 H new ATOM 0 HE21 GLN A 15 21.934 -8.376 -0.695 1.00 0.00 H new ATOM 0 HE22 GLN A 15 20.768 -9.287 -1.660 1.00 0.00 H new ATOM 237 N LEU A 16 19.785 -3.123 -4.208 1.00 0.00 N ATOM 238 CA LEU A 16 19.273 -2.770 -5.536 1.00 0.00 C ATOM 239 C LEU A 16 19.439 -1.356 -5.885 1.00 0.00 C ATOM 240 O LEU A 16 19.809 -1.022 -6.996 1.00 0.00 O ATOM 241 CB LEU A 16 17.832 -3.230 -5.661 1.00 0.00 C ATOM 242 CG LEU A 16 17.098 -2.836 -6.926 1.00 0.00 C ATOM 243 CD1 LEU A 16 16.043 -3.858 -7.235 1.00 0.00 C ATOM 244 CD2 LEU A 16 16.408 -1.496 -6.697 1.00 0.00 C ATOM 0 H LEU A 16 19.059 -3.471 -3.581 1.00 0.00 H new ATOM 0 HA LEU A 16 19.883 -3.297 -6.269 1.00 0.00 H new ATOM 0 HB2 LEU A 16 17.814 -4.317 -5.582 1.00 0.00 H new ATOM 0 HB3 LEU A 16 17.275 -2.839 -4.809 1.00 0.00 H new ATOM 0 HG LEU A 16 17.808 -2.770 -7.751 1.00 0.00 H new ATOM 0 HD11 LEU A 16 15.516 -3.573 -8.145 1.00 0.00 H new ATOM 0 HD12 LEU A 16 16.511 -4.832 -7.376 1.00 0.00 H new ATOM 0 HD13 LEU A 16 15.335 -3.912 -6.408 1.00 0.00 H new ATOM 0 HD21 LEU A 16 15.876 -1.202 -7.602 1.00 0.00 H new ATOM 0 HD22 LEU A 16 15.700 -1.587 -5.873 1.00 0.00 H new ATOM 0 HD23 LEU A 16 17.154 -0.740 -6.453 1.00 0.00 H new ATOM 256 N THR A 17 19.194 -0.531 -4.958 1.00 0.00 N ATOM 257 CA THR A 17 19.163 0.859 -5.186 1.00 0.00 C ATOM 258 C THR A 17 20.500 1.396 -5.742 1.00 0.00 C ATOM 259 O THR A 17 20.488 2.230 -6.642 1.00 0.00 O ATOM 260 CB THR A 17 18.763 1.592 -3.873 1.00 0.00 C ATOM 261 OG1 THR A 17 18.599 2.984 -4.095 1.00 0.00 O ATOM 262 CG2 THR A 17 19.785 1.316 -2.755 1.00 0.00 C ATOM 0 H THR A 17 19.004 -0.802 -3.993 1.00 0.00 H new ATOM 0 HA THR A 17 18.414 1.058 -5.953 1.00 0.00 H new ATOM 0 HB THR A 17 17.801 1.197 -3.546 1.00 0.00 H new ATOM 0 HG1 THR A 17 18.346 3.422 -3.255 1.00 0.00 H new ATOM 0 HG21 THR A 17 19.482 1.840 -1.848 1.00 0.00 H new ATOM 0 HG22 THR A 17 19.829 0.245 -2.558 1.00 0.00 H new ATOM 0 HG23 THR A 17 20.769 1.668 -3.066 1.00 0.00 H new ATOM 270 N ASP A 18 21.617 0.975 -5.193 1.00 0.00 N ATOM 271 CA ASP A 18 22.922 1.498 -5.669 1.00 0.00 C ATOM 272 C ASP A 18 23.659 0.571 -6.648 1.00 0.00 C ATOM 273 O ASP A 18 24.726 0.927 -7.155 1.00 0.00 O ATOM 274 CB ASP A 18 23.824 1.881 -4.486 1.00 0.00 C ATOM 275 CG ASP A 18 23.250 3.024 -3.653 1.00 0.00 C ATOM 276 OD1 ASP A 18 22.986 4.111 -4.221 1.00 0.00 O ATOM 277 OD2 ASP A 18 23.057 2.834 -2.444 1.00 0.00 O ATOM 0 H ASP A 18 21.673 0.292 -4.437 1.00 0.00 H new ATOM 0 HA ASP A 18 22.684 2.393 -6.244 1.00 0.00 H new ATOM 0 HB2 ASP A 18 23.969 1.009 -3.848 1.00 0.00 H new ATOM 0 HB3 ASP A 18 24.806 2.168 -4.861 1.00 0.00 H new ATOM 282 N GLU A 19 23.078 -0.591 -6.932 1.00 0.00 N ATOM 283 CA GLU A 19 23.785 -1.631 -7.673 1.00 0.00 C ATOM 284 C GLU A 19 23.129 -1.847 -9.040 1.00 0.00 C ATOM 285 O GLU A 19 23.667 -1.458 -10.054 1.00 0.00 O ATOM 286 CB GLU A 19 23.713 -2.888 -6.823 1.00 0.00 C ATOM 287 CG GLU A 19 24.419 -2.742 -5.478 1.00 0.00 C ATOM 288 CD GLU A 19 25.915 -2.559 -5.545 1.00 0.00 C ATOM 289 OE1 GLU A 19 26.541 -2.892 -6.563 1.00 0.00 O ATOM 290 OE2 GLU A 19 26.496 -2.084 -4.537 1.00 0.00 O ATOM 0 H GLU A 19 22.125 -0.835 -6.662 1.00 0.00 H new ATOM 0 HA GLU A 19 24.822 -1.354 -7.862 1.00 0.00 H new ATOM 0 HB2 GLU A 19 22.667 -3.144 -6.652 1.00 0.00 H new ATOM 0 HB3 GLU A 19 24.159 -3.717 -7.373 1.00 0.00 H new ATOM 0 HG2 GLU A 19 23.990 -1.889 -4.953 1.00 0.00 H new ATOM 0 HG3 GLU A 19 24.205 -3.626 -4.878 1.00 0.00 H new ATOM 297 N PHE A 20 21.930 -2.460 -9.002 1.00 0.00 N ATOM 298 CA PHE A 20 21.059 -2.755 -10.162 1.00 0.00 C ATOM 299 C PHE A 20 21.512 -3.950 -11.006 1.00 0.00 C ATOM 300 O PHE A 20 20.669 -4.727 -11.449 1.00 0.00 O ATOM 301 CB PHE A 20 20.925 -1.559 -11.079 1.00 0.00 C ATOM 302 CG PHE A 20 20.221 -0.416 -10.469 1.00 0.00 C ATOM 303 CD1 PHE A 20 18.874 -0.485 -10.215 1.00 0.00 C ATOM 304 CD2 PHE A 20 20.918 0.715 -10.126 1.00 0.00 C ATOM 305 CE1 PHE A 20 18.218 0.572 -9.630 1.00 0.00 C ATOM 306 CE2 PHE A 20 20.275 1.779 -9.544 1.00 0.00 C ATOM 307 CZ PHE A 20 18.922 1.710 -9.295 1.00 0.00 C ATOM 0 H PHE A 20 21.522 -2.778 -8.123 1.00 0.00 H new ATOM 0 HA PHE A 20 20.099 -3.008 -9.711 1.00 0.00 H new ATOM 0 HB2 PHE A 20 21.919 -1.238 -11.389 1.00 0.00 H new ATOM 0 HB3 PHE A 20 20.393 -1.862 -11.981 1.00 0.00 H new ATOM 0 HD1 PHE A 20 18.325 -1.377 -10.477 1.00 0.00 H new ATOM 0 HD2 PHE A 20 21.980 0.768 -10.315 1.00 0.00 H new ATOM 0 HE1 PHE A 20 17.158 0.512 -9.434 1.00 0.00 H new ATOM 0 HE2 PHE A 20 20.829 2.668 -9.282 1.00 0.00 H new ATOM 0 HZ PHE A 20 18.413 2.546 -8.838 1.00 0.00 H new ATOM 317 N GLU A 21 22.794 -4.141 -11.173 1.00 0.00 N ATOM 318 CA GLU A 21 23.257 -5.215 -12.051 1.00 0.00 C ATOM 319 C GLU A 21 23.893 -6.381 -11.276 1.00 0.00 C ATOM 320 O GLU A 21 24.768 -6.186 -10.447 1.00 0.00 O ATOM 321 CB GLU A 21 24.234 -4.708 -13.127 1.00 0.00 C ATOM 322 CG GLU A 21 23.626 -3.721 -14.143 1.00 0.00 C ATOM 323 CD GLU A 21 23.627 -2.271 -13.684 1.00 0.00 C ATOM 324 OE1 GLU A 21 24.005 -2.016 -12.548 1.00 0.00 O ATOM 325 OE2 GLU A 21 23.238 -1.400 -14.497 1.00 0.00 O ATOM 0 H GLU A 21 23.530 -3.590 -10.731 1.00 0.00 H new ATOM 0 HA GLU A 21 22.361 -5.589 -12.547 1.00 0.00 H new ATOM 0 HB2 GLU A 21 25.077 -4.225 -12.633 1.00 0.00 H new ATOM 0 HB3 GLU A 21 24.632 -5.566 -13.669 1.00 0.00 H new ATOM 0 HG2 GLU A 21 24.180 -3.794 -15.079 1.00 0.00 H new ATOM 0 HG3 GLU A 21 22.600 -4.022 -14.355 1.00 0.00 H new ATOM 332 N PHE A 22 23.412 -7.613 -11.548 1.00 0.00 N ATOM 333 CA PHE A 22 23.897 -8.821 -10.847 1.00 0.00 C ATOM 334 C PHE A 22 24.006 -10.048 -11.799 1.00 0.00 C ATOM 335 O PHE A 22 23.396 -10.064 -12.855 1.00 0.00 O ATOM 336 CB PHE A 22 22.947 -9.182 -9.672 1.00 0.00 C ATOM 337 CG PHE A 22 22.803 -8.115 -8.620 1.00 0.00 C ATOM 338 CD1 PHE A 22 21.856 -7.111 -8.757 1.00 0.00 C ATOM 339 CD2 PHE A 22 23.600 -8.132 -7.487 1.00 0.00 C ATOM 340 CE1 PHE A 22 21.710 -6.139 -7.782 1.00 0.00 C ATOM 341 CE2 PHE A 22 23.464 -7.166 -6.522 1.00 0.00 C ATOM 342 CZ PHE A 22 22.524 -6.163 -6.665 1.00 0.00 C ATOM 0 H PHE A 22 22.691 -7.797 -12.245 1.00 0.00 H new ATOM 0 HA PHE A 22 24.893 -8.588 -10.470 1.00 0.00 H new ATOM 0 HB2 PHE A 22 21.961 -9.407 -10.078 1.00 0.00 H new ATOM 0 HB3 PHE A 22 23.311 -10.093 -9.197 1.00 0.00 H new ATOM 0 HD1 PHE A 22 21.226 -7.087 -9.634 1.00 0.00 H new ATOM 0 HD2 PHE A 22 24.335 -8.913 -7.362 1.00 0.00 H new ATOM 0 HE1 PHE A 22 20.964 -5.366 -7.894 1.00 0.00 H new ATOM 0 HE2 PHE A 22 24.095 -7.190 -5.646 1.00 0.00 H new ATOM 0 HZ PHE A 22 22.426 -5.400 -5.907 1.00 0.00 H new ATOM 352 N PRO A 23 24.853 -11.046 -11.423 1.00 0.00 N ATOM 353 CA PRO A 23 24.961 -12.363 -12.109 1.00 0.00 C ATOM 354 C PRO A 23 23.745 -13.305 -11.830 1.00 0.00 C ATOM 355 O PRO A 23 22.996 -13.103 -10.869 1.00 0.00 O ATOM 356 CB PRO A 23 26.266 -12.947 -11.581 1.00 0.00 C ATOM 357 CG PRO A 23 26.379 -12.400 -10.208 1.00 0.00 C ATOM 358 CD PRO A 23 25.801 -10.994 -10.258 1.00 0.00 C ATOM 0 HA PRO A 23 24.955 -12.252 -13.193 1.00 0.00 H new ATOM 0 HB2 PRO A 23 26.241 -14.037 -11.575 1.00 0.00 H new ATOM 0 HB3 PRO A 23 27.114 -12.651 -12.199 1.00 0.00 H new ATOM 0 HG2 PRO A 23 25.833 -13.020 -9.497 1.00 0.00 H new ATOM 0 HG3 PRO A 23 27.419 -12.381 -9.882 1.00 0.00 H new ATOM 0 HD2 PRO A 23 25.286 -10.739 -9.332 1.00 0.00 H new ATOM 0 HD3 PRO A 23 26.579 -10.245 -10.407 1.00 0.00 H new ATOM 366 N ILE A 24 23.573 -14.324 -12.666 1.00 0.00 N ATOM 367 CA ILE A 24 22.473 -15.297 -12.514 1.00 0.00 C ATOM 368 C ILE A 24 22.692 -16.202 -11.288 1.00 0.00 C ATOM 369 O ILE A 24 23.798 -16.723 -11.048 1.00 0.00 O ATOM 370 CB ILE A 24 22.300 -16.226 -13.787 1.00 0.00 C ATOM 371 CG1 ILE A 24 21.835 -15.428 -15.024 1.00 0.00 C ATOM 372 CG2 ILE A 24 21.320 -17.382 -13.500 1.00 0.00 C ATOM 373 CD1 ILE A 24 22.901 -14.515 -15.632 1.00 0.00 C ATOM 0 H ILE A 24 24.181 -14.506 -13.464 1.00 0.00 H new ATOM 0 HA ILE A 24 21.570 -14.700 -12.387 1.00 0.00 H new ATOM 0 HB ILE A 24 23.281 -16.645 -14.010 1.00 0.00 H new ATOM 0 HG12 ILE A 24 21.499 -16.130 -15.787 1.00 0.00 H new ATOM 0 HG13 ILE A 24 20.973 -14.822 -14.746 1.00 0.00 H new ATOM 0 HG21 ILE A 24 21.220 -18.003 -14.390 1.00 0.00 H new ATOM 0 HG22 ILE A 24 21.701 -17.986 -12.677 1.00 0.00 H new ATOM 0 HG23 ILE A 24 20.346 -16.975 -13.231 1.00 0.00 H new ATOM 0 HD11 ILE A 24 22.485 -13.995 -16.495 1.00 0.00 H new ATOM 0 HD12 ILE A 24 23.222 -13.785 -14.889 1.00 0.00 H new ATOM 0 HD13 ILE A 24 23.756 -15.113 -15.946 1.00 0.00 H new ATOM 385 N GLY A 25 21.604 -16.343 -10.506 1.00 0.00 N ATOM 386 CA GLY A 25 21.621 -17.112 -9.276 1.00 0.00 C ATOM 387 C GLY A 25 21.772 -16.240 -8.044 1.00 0.00 C ATOM 388 O GLY A 25 21.730 -16.737 -6.929 1.00 0.00 O ATOM 0 H GLY A 25 20.699 -15.924 -10.720 1.00 0.00 H new ATOM 0 HA2 GLY A 25 20.698 -17.687 -9.199 1.00 0.00 H new ATOM 0 HA3 GLY A 25 22.441 -17.829 -9.312 1.00 0.00 H new ATOM 392 N THR A 26 21.972 -14.951 -8.252 1.00 0.00 N ATOM 393 CA THR A 26 22.051 -13.991 -7.161 1.00 0.00 C ATOM 394 C THR A 26 20.699 -13.818 -6.503 1.00 0.00 C ATOM 395 O THR A 26 19.677 -13.684 -7.186 1.00 0.00 O ATOM 396 CB THR A 26 22.545 -12.630 -7.658 1.00 0.00 C ATOM 397 OG1 THR A 26 23.718 -12.843 -8.422 1.00 0.00 O ATOM 398 CG2 THR A 26 22.896 -11.725 -6.465 1.00 0.00 C ATOM 0 H THR A 26 22.084 -14.539 -9.178 1.00 0.00 H new ATOM 0 HA THR A 26 22.762 -14.382 -6.433 1.00 0.00 H new ATOM 0 HB THR A 26 21.767 -12.152 -8.253 1.00 0.00 H new ATOM 0 HG1 THR A 26 23.543 -12.618 -9.360 1.00 0.00 H new ATOM 0 HG21 THR A 26 23.246 -10.760 -6.831 1.00 0.00 H new ATOM 0 HG22 THR A 26 22.011 -11.579 -5.846 1.00 0.00 H new ATOM 0 HG23 THR A 26 23.680 -12.194 -5.871 1.00 0.00 H new ATOM 406 N TYR A 27 20.697 -13.819 -5.215 1.00 0.00 N ATOM 407 CA TYR A 27 19.497 -13.565 -4.471 1.00 0.00 C ATOM 408 C TYR A 27 19.569 -12.160 -3.887 1.00 0.00 C ATOM 409 O TYR A 27 20.567 -11.775 -3.274 1.00 0.00 O ATOM 410 CB TYR A 27 19.371 -14.598 -3.328 1.00 0.00 C ATOM 411 CG TYR A 27 19.024 -16.013 -3.773 1.00 0.00 C ATOM 412 CD1 TYR A 27 19.970 -16.830 -4.371 1.00 0.00 C ATOM 413 CD2 TYR A 27 17.768 -16.531 -3.547 1.00 0.00 C ATOM 414 CE1 TYR A 27 19.657 -18.127 -4.755 1.00 0.00 C ATOM 415 CE2 TYR A 27 17.445 -17.825 -3.923 1.00 0.00 C ATOM 416 CZ TYR A 27 18.388 -18.613 -4.533 1.00 0.00 C ATOM 417 OH TYR A 27 18.069 -19.885 -4.902 1.00 0.00 O ATOM 0 H TYR A 27 21.522 -13.995 -4.642 1.00 0.00 H new ATOM 0 HA TYR A 27 18.629 -13.648 -5.125 1.00 0.00 H new ATOM 0 HB2 TYR A 27 20.312 -14.627 -2.779 1.00 0.00 H new ATOM 0 HB3 TYR A 27 18.606 -14.255 -2.631 1.00 0.00 H new ATOM 0 HD1 TYR A 27 20.967 -16.452 -4.541 1.00 0.00 H new ATOM 0 HD2 TYR A 27 17.020 -15.917 -3.067 1.00 0.00 H new ATOM 0 HE1 TYR A 27 20.404 -18.750 -5.225 1.00 0.00 H new ATOM 0 HE2 TYR A 27 16.454 -18.212 -3.736 1.00 0.00 H new ATOM 0 HH TYR A 27 17.134 -20.068 -4.672 1.00 0.00 H new ATOM 427 N LEU A 28 18.513 -11.403 -4.069 1.00 0.00 N ATOM 428 CA LEU A 28 18.440 -10.022 -3.584 1.00 0.00 C ATOM 429 C LEU A 28 17.501 -9.834 -2.441 1.00 0.00 C ATOM 430 O LEU A 28 16.394 -10.336 -2.440 1.00 0.00 O ATOM 431 CB LEU A 28 18.136 -9.011 -4.676 1.00 0.00 C ATOM 432 CG LEU A 28 19.313 -8.534 -5.564 1.00 0.00 C ATOM 433 CD1 LEU A 28 19.975 -9.674 -6.293 1.00 0.00 C ATOM 434 CD2 LEU A 28 18.816 -7.498 -6.524 1.00 0.00 C ATOM 0 H LEU A 28 17.673 -11.716 -4.556 1.00 0.00 H new ATOM 0 HA LEU A 28 19.448 -9.827 -3.218 1.00 0.00 H new ATOM 0 HB2 LEU A 28 17.376 -9.441 -5.329 1.00 0.00 H new ATOM 0 HB3 LEU A 28 17.693 -8.133 -4.206 1.00 0.00 H new ATOM 0 HG LEU A 28 20.075 -8.098 -4.918 1.00 0.00 H new ATOM 0 HD11 LEU A 28 20.793 -9.290 -6.902 1.00 0.00 H new ATOM 0 HD12 LEU A 28 20.366 -10.390 -5.570 1.00 0.00 H new ATOM 0 HD13 LEU A 28 19.246 -10.168 -6.935 1.00 0.00 H new ATOM 0 HD21 LEU A 28 19.640 -7.158 -7.152 1.00 0.00 H new ATOM 0 HD22 LEU A 28 18.035 -7.928 -7.151 1.00 0.00 H new ATOM 0 HD23 LEU A 28 18.410 -6.652 -5.969 1.00 0.00 H new ATOM 446 N ASN A 29 17.942 -9.061 -1.500 1.00 0.00 N ATOM 447 CA ASN A 29 17.265 -8.906 -0.275 1.00 0.00 C ATOM 448 C ASN A 29 16.247 -7.767 -0.384 1.00 0.00 C ATOM 449 O ASN A 29 16.591 -6.590 -0.429 1.00 0.00 O ATOM 450 CB ASN A 29 18.321 -8.570 0.802 1.00 0.00 C ATOM 451 CG ASN A 29 17.871 -8.857 2.230 1.00 0.00 C ATOM 452 OD1 ASN A 29 16.948 -9.650 2.452 1.00 0.00 O ATOM 453 ND2 ASN A 29 18.581 -8.324 3.196 1.00 0.00 N ATOM 0 H ASN A 29 18.800 -8.514 -1.574 1.00 0.00 H new ATOM 0 HA ASN A 29 16.729 -9.819 -0.013 1.00 0.00 H new ATOM 0 HB2 ASN A 29 19.227 -9.141 0.597 1.00 0.00 H new ATOM 0 HB3 ASN A 29 18.583 -7.515 0.721 1.00 0.00 H new ATOM 0 HD21 ASN A 29 18.379 -8.560 4.167 1.00 0.00 H new ATOM 0 HD22 ASN A 29 19.335 -7.674 2.976 1.00 0.00 H new ATOM 460 N TYR A 30 14.996 -8.173 -0.423 1.00 0.00 N ATOM 461 CA TYR A 30 13.826 -7.288 -0.466 1.00 0.00 C ATOM 462 C TYR A 30 13.125 -7.227 0.848 1.00 0.00 C ATOM 463 O TYR A 30 12.997 -8.211 1.536 1.00 0.00 O ATOM 464 CB TYR A 30 12.812 -7.707 -1.539 1.00 0.00 C ATOM 465 CG TYR A 30 13.113 -7.291 -2.939 1.00 0.00 C ATOM 466 CD1 TYR A 30 14.354 -7.441 -3.518 1.00 0.00 C ATOM 467 CD2 TYR A 30 12.085 -6.704 -3.711 1.00 0.00 C ATOM 468 CE1 TYR A 30 14.572 -7.014 -4.816 1.00 0.00 C ATOM 469 CE2 TYR A 30 12.302 -6.291 -4.996 1.00 0.00 C ATOM 470 CZ TYR A 30 13.534 -6.442 -5.546 1.00 0.00 C ATOM 471 OH TYR A 30 13.737 -6.025 -6.832 1.00 0.00 O ATOM 0 H TYR A 30 14.745 -9.162 -0.426 1.00 0.00 H new ATOM 0 HA TYR A 30 14.220 -6.303 -0.716 1.00 0.00 H new ATOM 0 HB2 TYR A 30 12.722 -8.793 -1.518 1.00 0.00 H new ATOM 0 HB3 TYR A 30 11.838 -7.301 -1.265 1.00 0.00 H new ATOM 0 HD1 TYR A 30 15.159 -7.893 -2.957 1.00 0.00 H new ATOM 0 HD2 TYR A 30 11.105 -6.579 -3.275 1.00 0.00 H new ATOM 0 HE1 TYR A 30 15.549 -7.125 -5.263 1.00 0.00 H new ATOM 0 HE2 TYR A 30 11.500 -5.848 -5.569 1.00 0.00 H new ATOM 0 HH TYR A 30 12.905 -5.652 -7.190 1.00 0.00 H new ATOM 481 N GLU A 31 12.735 -6.016 1.219 1.00 0.00 N ATOM 482 CA GLU A 31 11.982 -5.794 2.450 1.00 0.00 C ATOM 483 C GLU A 31 10.644 -5.147 2.109 1.00 0.00 C ATOM 484 O GLU A 31 10.622 -4.125 1.452 1.00 0.00 O ATOM 485 CB GLU A 31 12.725 -4.852 3.373 1.00 0.00 C ATOM 486 CG GLU A 31 14.012 -5.403 3.953 1.00 0.00 C ATOM 487 CD GLU A 31 14.726 -4.360 4.807 1.00 0.00 C ATOM 488 OE1 GLU A 31 14.182 -3.236 4.953 1.00 0.00 O ATOM 489 OE2 GLU A 31 15.814 -4.651 5.321 1.00 0.00 O ATOM 0 H GLU A 31 12.927 -5.168 0.685 1.00 0.00 H new ATOM 0 HA GLU A 31 11.843 -6.757 2.942 1.00 0.00 H new ATOM 0 HB2 GLU A 31 12.953 -3.937 2.826 1.00 0.00 H new ATOM 0 HB3 GLU A 31 12.064 -4.576 4.194 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.793 -6.283 4.557 1.00 0.00 H new ATOM 0 HG3 GLU A 31 14.669 -5.726 3.145 1.00 0.00 H new ATOM 496 N CYS A 32 9.546 -5.667 2.623 1.00 0.00 N ATOM 497 CA CYS A 32 8.234 -5.059 2.362 1.00 0.00 C ATOM 498 C CYS A 32 7.955 -3.957 3.385 1.00 0.00 C ATOM 499 O CYS A 32 8.434 -4.033 4.500 1.00 0.00 O ATOM 500 CB CYS A 32 7.082 -6.091 2.438 1.00 0.00 C ATOM 501 SG CYS A 32 7.082 -7.376 1.179 1.00 0.00 S ATOM 0 H CYS A 32 9.524 -6.496 3.216 1.00 0.00 H new ATOM 0 HA CYS A 32 8.272 -4.653 1.351 1.00 0.00 H new ATOM 0 HB2 CYS A 32 7.115 -6.570 3.416 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.136 -5.553 2.379 1.00 0.00 H new ATOM 506 N ARG A 33 7.251 -2.909 2.964 1.00 0.00 N ATOM 507 CA ARG A 33 6.824 -1.858 3.902 1.00 0.00 C ATOM 508 C ARG A 33 5.979 -2.514 5.012 1.00 0.00 C ATOM 509 O ARG A 33 5.434 -3.617 4.812 1.00 0.00 O ATOM 510 CB ARG A 33 5.998 -0.756 3.223 1.00 0.00 C ATOM 511 CG ARG A 33 6.681 -0.060 2.065 1.00 0.00 C ATOM 512 CD ARG A 33 6.037 1.287 1.768 1.00 0.00 C ATOM 513 NE ARG A 33 6.326 2.273 2.821 1.00 0.00 N ATOM 514 CZ ARG A 33 6.782 3.512 2.588 1.00 0.00 C ATOM 515 NH1 ARG A 33 6.916 3.960 1.330 1.00 0.00 N ATOM 516 NH2 ARG A 33 7.090 4.310 3.607 1.00 0.00 N ATOM 0 H ARG A 33 6.965 -2.760 1.996 1.00 0.00 H new ATOM 0 HA ARG A 33 7.719 -1.384 4.306 1.00 0.00 H new ATOM 0 HB2 ARG A 33 5.065 -1.192 2.865 1.00 0.00 H new ATOM 0 HB3 ARG A 33 5.734 -0.008 3.971 1.00 0.00 H new ATOM 0 HG2 ARG A 33 7.737 0.083 2.296 1.00 0.00 H new ATOM 0 HG3 ARG A 33 6.631 -0.692 1.178 1.00 0.00 H new ATOM 0 HD2 ARG A 33 6.400 1.660 0.810 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.958 1.162 1.673 1.00 0.00 H new ATOM 0 HE ARG A 33 6.169 1.996 3.790 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.670 3.357 0.545 1.00 0.00 H new ATOM 0 HH12 ARG A 33 7.263 4.904 1.159 1.00 0.00 H new ATOM 0 HH21 ARG A 33 6.979 3.979 4.565 1.00 0.00 H new ATOM 0 HH22 ARG A 33 7.437 5.253 3.430 1.00 0.00 H new ATOM 530 N PRO A 34 5.844 -1.872 6.186 1.00 0.00 N ATOM 531 CA PRO A 34 5.100 -2.486 7.272 1.00 0.00 C ATOM 532 C PRO A 34 3.651 -2.735 6.872 1.00 0.00 C ATOM 533 O PRO A 34 3.050 -1.942 6.142 1.00 0.00 O ATOM 534 CB PRO A 34 5.155 -1.444 8.396 1.00 0.00 C ATOM 535 CG PRO A 34 6.273 -0.507 8.032 1.00 0.00 C ATOM 536 CD PRO A 34 6.382 -0.546 6.529 1.00 0.00 C ATOM 0 HA PRO A 34 5.515 -3.453 7.558 1.00 0.00 H new ATOM 0 HB2 PRO A 34 4.209 -0.910 8.480 1.00 0.00 H new ATOM 0 HB3 PRO A 34 5.340 -1.918 9.360 1.00 0.00 H new ATOM 0 HG2 PRO A 34 6.063 0.504 8.381 1.00 0.00 H new ATOM 0 HG3 PRO A 34 7.208 -0.817 8.498 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.807 0.254 6.063 1.00 0.00 H new ATOM 0 HD3 PRO A 34 7.414 -0.432 6.197 1.00 0.00 H new ATOM 544 N GLY A 35 3.100 -3.844 7.344 1.00 0.00 N ATOM 545 CA GLY A 35 1.719 -4.168 7.076 1.00 0.00 C ATOM 546 C GLY A 35 1.512 -5.056 5.838 1.00 0.00 C ATOM 547 O GLY A 35 0.412 -5.557 5.621 1.00 0.00 O ATOM 0 H GLY A 35 3.594 -4.531 7.914 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.300 -4.673 7.946 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.159 -3.242 6.944 1.00 0.00 H new ATOM 551 N TYR A 36 2.563 -5.303 5.067 1.00 0.00 N ATOM 552 CA TYR A 36 2.428 -6.180 3.929 1.00 0.00 C ATOM 553 C TYR A 36 2.524 -7.650 4.288 1.00 0.00 C ATOM 554 O TYR A 36 3.336 -8.054 5.119 1.00 0.00 O ATOM 555 CB TYR A 36 3.384 -5.829 2.771 1.00 0.00 C ATOM 556 CG TYR A 36 3.042 -4.540 2.029 1.00 0.00 C ATOM 557 CD1 TYR A 36 2.167 -4.593 0.952 1.00 0.00 C ATOM 558 CD2 TYR A 36 3.579 -3.304 2.355 1.00 0.00 C ATOM 559 CE1 TYR A 36 1.822 -3.487 0.223 1.00 0.00 C ATOM 560 CE2 TYR A 36 3.242 -2.163 1.615 1.00 0.00 C ATOM 561 CZ TYR A 36 2.357 -2.269 0.551 1.00 0.00 C ATOM 562 OH TYR A 36 2.039 -1.158 -0.183 1.00 0.00 O ATOM 0 H TYR A 36 3.495 -4.915 5.210 1.00 0.00 H new ATOM 0 HA TYR A 36 1.414 -6.005 3.571 1.00 0.00 H new ATOM 0 HB2 TYR A 36 4.396 -5.747 3.166 1.00 0.00 H new ATOM 0 HB3 TYR A 36 3.386 -6.653 2.058 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.741 -5.547 0.678 1.00 0.00 H new ATOM 0 HD2 TYR A 36 4.263 -3.220 3.187 1.00 0.00 H new ATOM 0 HE1 TYR A 36 1.133 -3.574 -0.604 1.00 0.00 H new ATOM 0 HE2 TYR A 36 3.669 -1.205 1.871 1.00 0.00 H new ATOM 0 HH TYR A 36 2.399 -0.360 0.258 1.00 0.00 H new ATOM 572 N SER A 37 1.650 -8.424 3.665 1.00 0.00 N ATOM 573 CA SER A 37 1.496 -9.856 3.943 1.00 0.00 C ATOM 574 C SER A 37 2.469 -10.731 3.141 1.00 0.00 C ATOM 575 O SER A 37 2.551 -11.952 3.347 1.00 0.00 O ATOM 576 CB SER A 37 0.102 -10.249 3.571 1.00 0.00 C ATOM 577 OG SER A 37 -0.831 -9.307 4.060 1.00 0.00 O ATOM 0 H SER A 37 1.017 -8.079 2.943 1.00 0.00 H new ATOM 0 HA SER A 37 1.709 -10.014 5.000 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.017 -10.323 2.487 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.123 -11.235 3.976 1.00 0.00 H new ATOM 0 HG SER A 37 -1.737 -9.581 3.805 1.00 0.00 H new ATOM 583 N GLY A 38 3.179 -10.137 2.221 1.00 0.00 N ATOM 584 CA GLY A 38 4.064 -10.908 1.357 1.00 0.00 C ATOM 585 C GLY A 38 5.361 -11.312 2.011 1.00 0.00 C ATOM 586 O GLY A 38 5.684 -10.864 3.110 1.00 0.00 O ATOM 0 H GLY A 38 3.171 -9.133 2.043 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.541 -11.805 1.026 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.286 -10.322 0.465 1.00 0.00 H new ATOM 590 N ARG A 39 6.109 -12.156 1.322 1.00 0.00 N ATOM 591 CA ARG A 39 7.397 -12.617 1.807 1.00 0.00 C ATOM 592 C ARG A 39 8.442 -11.708 1.270 1.00 0.00 C ATOM 593 O ARG A 39 8.566 -11.569 0.036 1.00 0.00 O ATOM 594 CB ARG A 39 7.670 -14.033 1.323 1.00 0.00 C ATOM 595 CG ARG A 39 6.574 -14.995 1.683 1.00 0.00 C ATOM 596 CD ARG A 39 6.416 -15.124 3.168 1.00 0.00 C ATOM 597 NE ARG A 39 5.033 -15.490 3.501 1.00 0.00 N ATOM 598 CZ ARG A 39 4.385 -15.044 4.594 1.00 0.00 C ATOM 599 NH1 ARG A 39 5.051 -14.393 5.542 1.00 0.00 N ATOM 600 NH2 ARG A 39 3.081 -15.278 4.738 1.00 0.00 N ATOM 0 H ARG A 39 5.842 -12.539 0.415 1.00 0.00 H new ATOM 0 HA ARG A 39 7.402 -12.616 2.897 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.797 -14.023 0.240 1.00 0.00 H new ATOM 0 HB3 ARG A 39 8.609 -14.383 1.751 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.635 -14.657 1.245 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.792 -15.973 1.254 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.102 -15.880 3.550 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.677 -14.183 3.652 1.00 0.00 H new ATOM 0 HE ARG A 39 4.536 -16.117 2.869 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.053 -14.231 5.442 1.00 0.00 H new ATOM 0 HH12 ARG A 39 4.560 -14.055 6.370 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.573 -15.795 4.020 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.591 -14.940 5.566 1.00 0.00 H new ATOM 614 N PRO A 40 9.240 -11.078 2.152 1.00 0.00 N ATOM 615 CA PRO A 40 10.240 -10.124 1.692 1.00 0.00 C ATOM 616 C PRO A 40 11.227 -10.804 0.753 1.00 0.00 C ATOM 617 O PRO A 40 11.625 -10.222 -0.235 1.00 0.00 O ATOM 618 CB PRO A 40 10.992 -9.764 2.990 1.00 0.00 C ATOM 619 CG PRO A 40 10.424 -10.609 4.092 1.00 0.00 C ATOM 620 CD PRO A 40 9.130 -11.166 3.610 1.00 0.00 C ATOM 0 HA PRO A 40 9.802 -9.277 1.165 1.00 0.00 H new ATOM 0 HB2 PRO A 40 12.060 -9.949 2.878 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.874 -8.705 3.220 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.113 -11.412 4.353 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.273 -10.013 4.992 1.00 0.00 H new ATOM 0 HD2 PRO A 40 8.988 -12.195 3.940 1.00 0.00 H new ATOM 0 HD3 PRO A 40 8.282 -10.592 3.984 1.00 0.00 H new ATOM 628 N PHE A 41 11.438 -12.089 1.025 1.00 0.00 N ATOM 629 CA PHE A 41 12.267 -13.045 0.254 1.00 0.00 C ATOM 630 C PHE A 41 13.380 -12.362 -0.640 1.00 0.00 C ATOM 631 O PHE A 41 13.918 -11.301 -0.299 1.00 0.00 O ATOM 632 CB PHE A 41 11.309 -13.934 -0.563 1.00 0.00 C ATOM 633 CG PHE A 41 11.918 -15.139 -1.205 1.00 0.00 C ATOM 634 CD1 PHE A 41 12.410 -16.165 -0.421 1.00 0.00 C ATOM 635 CD2 PHE A 41 11.964 -15.274 -2.590 1.00 0.00 C ATOM 636 CE1 PHE A 41 12.944 -17.309 -0.994 1.00 0.00 C ATOM 637 CE2 PHE A 41 12.506 -16.400 -3.168 1.00 0.00 C ATOM 638 CZ PHE A 41 12.999 -17.423 -2.364 1.00 0.00 C ATOM 0 H PHE A 41 11.012 -12.531 1.840 1.00 0.00 H new ATOM 0 HA PHE A 41 12.846 -13.651 0.951 1.00 0.00 H new ATOM 0 HB2 PHE A 41 10.504 -14.265 0.093 1.00 0.00 H new ATOM 0 HB3 PHE A 41 10.854 -13.323 -1.342 1.00 0.00 H new ATOM 0 HD1 PHE A 41 12.378 -16.074 0.655 1.00 0.00 H new ATOM 0 HD2 PHE A 41 11.571 -14.488 -3.217 1.00 0.00 H new ATOM 0 HE1 PHE A 41 13.315 -18.107 -0.368 1.00 0.00 H new ATOM 0 HE2 PHE A 41 12.548 -16.489 -4.243 1.00 0.00 H new ATOM 0 HZ PHE A 41 13.425 -18.307 -2.815 1.00 0.00 H new ATOM 648 N SER A 42 13.765 -13.039 -1.710 1.00 0.00 N ATOM 649 CA SER A 42 14.764 -12.538 -2.620 1.00 0.00 C ATOM 650 C SER A 42 14.343 -12.678 -4.089 1.00 0.00 C ATOM 651 O SER A 42 13.602 -13.584 -4.439 1.00 0.00 O ATOM 652 CB SER A 42 16.068 -13.280 -2.402 1.00 0.00 C ATOM 653 OG SER A 42 16.536 -13.087 -1.075 1.00 0.00 O ATOM 0 H SER A 42 13.389 -13.952 -1.966 1.00 0.00 H new ATOM 0 HA SER A 42 14.887 -11.475 -2.412 1.00 0.00 H new ATOM 0 HB2 SER A 42 15.924 -14.344 -2.592 1.00 0.00 H new ATOM 0 HB3 SER A 42 16.816 -12.928 -3.112 1.00 0.00 H new ATOM 0 HG SER A 42 16.714 -12.135 -0.926 1.00 0.00 H new ATOM 659 N ILE A 43 14.854 -11.797 -4.934 1.00 0.00 N ATOM 660 CA ILE A 43 14.697 -11.946 -6.362 1.00 0.00 C ATOM 661 C ILE A 43 15.974 -12.536 -6.919 1.00 0.00 C ATOM 662 O ILE A 43 17.081 -12.104 -6.591 1.00 0.00 O ATOM 663 CB ILE A 43 14.357 -10.659 -7.144 1.00 0.00 C ATOM 664 CG1 ILE A 43 15.442 -9.594 -6.967 1.00 0.00 C ATOM 665 CG2 ILE A 43 12.968 -10.140 -6.794 1.00 0.00 C ATOM 666 CD1 ILE A 43 15.258 -8.396 -7.857 1.00 0.00 C ATOM 0 H ILE A 43 15.381 -10.971 -4.650 1.00 0.00 H new ATOM 0 HA ILE A 43 13.830 -12.593 -6.497 1.00 0.00 H new ATOM 0 HB ILE A 43 14.335 -10.911 -8.204 1.00 0.00 H new ATOM 0 HG12 ILE A 43 15.452 -9.266 -5.927 1.00 0.00 H new ATOM 0 HG13 ILE A 43 16.415 -10.041 -7.170 1.00 0.00 H new ATOM 0 HG21 ILE A 43 12.764 -9.233 -7.364 1.00 0.00 H new ATOM 0 HG22 ILE A 43 12.224 -10.898 -7.039 1.00 0.00 H new ATOM 0 HG23 ILE A 43 12.921 -9.917 -5.728 1.00 0.00 H new ATOM 0 HD11 ILE A 43 16.063 -7.683 -7.678 1.00 0.00 H new ATOM 0 HD12 ILE A 43 15.278 -8.711 -8.900 1.00 0.00 H new ATOM 0 HD13 ILE A 43 14.300 -7.924 -7.639 1.00 0.00 H new ATOM 678 N ILE A 44 15.811 -13.560 -7.687 1.00 0.00 N ATOM 679 CA ILE A 44 16.894 -14.291 -8.221 1.00 0.00 C ATOM 680 C ILE A 44 16.820 -14.194 -9.726 1.00 0.00 C ATOM 681 O ILE A 44 15.755 -14.425 -10.294 1.00 0.00 O ATOM 682 CB ILE A 44 16.819 -15.776 -7.808 1.00 0.00 C ATOM 683 CG1 ILE A 44 16.371 -15.912 -6.355 1.00 0.00 C ATOM 684 CG2 ILE A 44 18.220 -16.385 -7.935 1.00 0.00 C ATOM 685 CD1 ILE A 44 14.889 -16.174 -6.217 1.00 0.00 C ATOM 0 H ILE A 44 14.896 -13.915 -7.964 1.00 0.00 H new ATOM 0 HA ILE A 44 17.829 -13.880 -7.842 1.00 0.00 H new ATOM 0 HB ILE A 44 16.102 -16.286 -8.452 1.00 0.00 H new ATOM 0 HG12 ILE A 44 16.924 -16.725 -5.885 1.00 0.00 H new ATOM 0 HG13 ILE A 44 16.625 -15.000 -5.815 1.00 0.00 H new ATOM 0 HG21 ILE A 44 18.187 -17.436 -7.647 1.00 0.00 H new ATOM 0 HG22 ILE A 44 18.561 -16.302 -8.967 1.00 0.00 H new ATOM 0 HG23 ILE A 44 18.910 -15.851 -7.281 1.00 0.00 H new ATOM 0 HD11 ILE A 44 14.632 -16.261 -5.161 1.00 0.00 H new ATOM 0 HD12 ILE A 44 14.331 -15.349 -6.660 1.00 0.00 H new ATOM 0 HD13 ILE A 44 14.634 -17.101 -6.730 1.00 0.00 H new ATOM 697 N CYS A 45 17.907 -13.814 -10.378 1.00 0.00 N ATOM 698 CA CYS A 45 17.908 -13.759 -11.833 1.00 0.00 C ATOM 699 C CYS A 45 17.617 -15.146 -12.415 1.00 0.00 C ATOM 700 O CYS A 45 18.501 -16.000 -12.489 1.00 0.00 O ATOM 701 CB CYS A 45 19.261 -13.246 -12.312 1.00 0.00 C ATOM 702 SG CYS A 45 19.707 -11.597 -11.678 1.00 0.00 S ATOM 0 H CYS A 45 18.785 -13.544 -9.935 1.00 0.00 H new ATOM 0 HA CYS A 45 17.127 -13.080 -12.175 1.00 0.00 H new ATOM 0 HB2 CYS A 45 20.032 -13.957 -12.015 1.00 0.00 H new ATOM 0 HB3 CYS A 45 19.259 -13.215 -13.402 1.00 0.00 H new ATOM 707 N LEU A 46 16.348 -15.378 -12.784 1.00 0.00 N ATOM 708 CA LEU A 46 15.932 -16.679 -13.299 1.00 0.00 C ATOM 709 C LEU A 46 15.233 -16.551 -14.674 1.00 0.00 C ATOM 710 O LEU A 46 15.683 -17.119 -15.652 1.00 0.00 O ATOM 711 CB LEU A 46 14.933 -17.322 -12.312 1.00 0.00 C ATOM 712 CG LEU A 46 15.432 -17.549 -10.869 1.00 0.00 C ATOM 713 CD1 LEU A 46 14.324 -18.127 -10.019 1.00 0.00 C ATOM 714 CD2 LEU A 46 16.659 -18.436 -10.835 1.00 0.00 C ATOM 0 H LEU A 46 15.602 -14.684 -12.734 1.00 0.00 H new ATOM 0 HA LEU A 46 16.826 -17.292 -13.413 1.00 0.00 H new ATOM 0 HB2 LEU A 46 14.044 -16.693 -12.269 1.00 0.00 H new ATOM 0 HB3 LEU A 46 14.623 -18.284 -12.720 1.00 0.00 H new ATOM 0 HG LEU A 46 15.722 -16.582 -10.457 1.00 0.00 H new ATOM 0 HD11 LEU A 46 14.688 -18.283 -9.003 1.00 0.00 H new ATOM 0 HD12 LEU A 46 13.481 -17.436 -10.000 1.00 0.00 H new ATOM 0 HD13 LEU A 46 14.002 -19.080 -10.439 1.00 0.00 H new ATOM 0 HD21 LEU A 46 16.981 -18.573 -9.803 1.00 0.00 H new ATOM 0 HD22 LEU A 46 16.419 -19.405 -11.272 1.00 0.00 H new ATOM 0 HD23 LEU A 46 17.461 -17.969 -11.406 1.00 0.00 H new ATOM 726 N LYS A 47 14.173 -15.730 -14.716 1.00 0.00 N ATOM 727 CA LYS A 47 13.331 -15.577 -15.893 1.00 0.00 C ATOM 728 C LYS A 47 14.061 -14.786 -16.929 1.00 0.00 C ATOM 729 O LYS A 47 14.358 -13.615 -16.727 1.00 0.00 O ATOM 730 CB LYS A 47 12.089 -14.815 -15.438 1.00 0.00 C ATOM 731 CG LYS A 47 10.901 -15.162 -16.210 1.00 0.00 C ATOM 732 CD LYS A 47 10.888 -14.550 -17.581 1.00 0.00 C ATOM 733 CE LYS A 47 10.220 -15.512 -18.499 1.00 0.00 C ATOM 734 NZ LYS A 47 9.404 -14.843 -19.550 1.00 0.00 N ATOM 0 H LYS A 47 13.881 -15.154 -13.926 1.00 0.00 H new ATOM 0 HA LYS A 47 13.066 -16.542 -16.325 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.906 -15.023 -14.384 1.00 0.00 H new ATOM 0 HB3 LYS A 47 12.273 -13.744 -15.524 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.839 -16.246 -16.302 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.014 -14.838 -15.666 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.356 -13.599 -17.570 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.904 -14.343 -17.917 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.976 -16.135 -18.976 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.580 -16.176 -17.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 8.426 -15.195 -19.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.409 -13.815 -19.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.806 -15.051 -20.486 1.00 0.00 H new ATOM 748 N ASN A 48 14.321 -15.429 -18.072 1.00 0.00 N ATOM 749 CA ASN A 48 15.073 -14.810 -19.170 1.00 0.00 C ATOM 750 C ASN A 48 16.407 -14.334 -18.636 1.00 0.00 C ATOM 751 O ASN A 48 16.994 -13.381 -19.148 1.00 0.00 O ATOM 752 CB ASN A 48 14.294 -13.628 -19.794 1.00 0.00 C ATOM 753 CG ASN A 48 13.102 -14.075 -20.603 1.00 0.00 C ATOM 754 OD1 ASN A 48 13.191 -15.248 -21.212 1.00 0.00 O flip ATOM 755 ND2 ASN A 48 12.102 -13.364 -20.680 1.00 0.00 N flip ATOM 0 H ASN A 48 14.020 -16.385 -18.262 1.00 0.00 H new ATOM 0 HA ASN A 48 15.225 -15.550 -19.956 1.00 0.00 H new ATOM 0 HB2 ASN A 48 13.959 -12.960 -19.000 1.00 0.00 H new ATOM 0 HB3 ASN A 48 14.965 -13.053 -20.432 1.00 0.00 H new ATOM 0 HD21 ASN A 48 12.075 -12.467 -20.195 1.00 0.00 H new ATOM 0 HD22 ASN A 48 11.299 -13.671 -21.229 1.00 0.00 H new ATOM 762 N SER A 49 16.920 -15.077 -17.669 1.00 0.00 N ATOM 763 CA SER A 49 18.154 -14.698 -16.955 1.00 0.00 C ATOM 764 C SER A 49 18.039 -13.280 -16.353 1.00 0.00 C ATOM 765 O SER A 49 19.043 -12.681 -15.973 1.00 0.00 O ATOM 766 CB SER A 49 19.366 -14.778 -17.889 1.00 0.00 C ATOM 767 OG SER A 49 19.366 -15.987 -18.658 1.00 0.00 O ATOM 0 H SER A 49 16.507 -15.953 -17.350 1.00 0.00 H new ATOM 0 HA SER A 49 18.293 -15.405 -16.137 1.00 0.00 H new ATOM 0 HB2 SER A 49 19.364 -13.920 -18.561 1.00 0.00 H new ATOM 0 HB3 SER A 49 20.282 -14.721 -17.301 1.00 0.00 H new ATOM 0 HG SER A 49 20.152 -16.003 -19.243 1.00 0.00 H new ATOM 773 N VAL A 50 16.813 -12.770 -16.245 1.00 0.00 N ATOM 774 CA VAL A 50 16.572 -11.456 -15.707 1.00 0.00 C ATOM 775 C VAL A 50 16.317 -11.521 -14.199 1.00 0.00 C ATOM 776 O VAL A 50 17.197 -11.251 -13.422 1.00 0.00 O ATOM 777 CB VAL A 50 15.364 -10.780 -16.416 1.00 0.00 C ATOM 778 CG1 VAL A 50 15.045 -9.415 -15.792 1.00 0.00 C ATOM 779 CG2 VAL A 50 15.634 -10.617 -17.904 1.00 0.00 C ATOM 0 H VAL A 50 15.968 -13.265 -16.531 1.00 0.00 H new ATOM 0 HA VAL A 50 17.465 -10.857 -15.886 1.00 0.00 H new ATOM 0 HB VAL A 50 14.500 -11.431 -16.282 1.00 0.00 H new ATOM 0 HG11 VAL A 50 14.196 -8.968 -16.309 1.00 0.00 H new ATOM 0 HG12 VAL A 50 14.800 -9.545 -14.738 1.00 0.00 H new ATOM 0 HG13 VAL A 50 15.912 -8.761 -15.885 1.00 0.00 H new ATOM 0 HG21 VAL A 50 14.776 -10.142 -18.380 1.00 0.00 H new ATOM 0 HG22 VAL A 50 16.518 -9.996 -18.047 1.00 0.00 H new ATOM 0 HG23 VAL A 50 15.802 -11.596 -18.353 1.00 0.00 H new ATOM 789 N TRP A 51 15.104 -11.919 -13.808 1.00 0.00 N ATOM 790 CA TRP A 51 14.719 -12.015 -12.389 1.00 0.00 C ATOM 791 C TRP A 51 13.637 -13.040 -12.215 1.00 0.00 C ATOM 792 O TRP A 51 13.435 -13.858 -13.077 1.00 0.00 O ATOM 793 CB TRP A 51 14.277 -10.655 -11.805 1.00 0.00 C ATOM 794 CG TRP A 51 15.394 -9.664 -11.752 1.00 0.00 C ATOM 795 CD1 TRP A 51 15.554 -8.590 -12.543 1.00 0.00 C ATOM 796 CD2 TRP A 51 16.540 -9.705 -10.894 1.00 0.00 C ATOM 797 NE1 TRP A 51 16.701 -7.931 -12.229 1.00 0.00 N ATOM 798 CE2 TRP A 51 17.335 -8.596 -11.213 1.00 0.00 C ATOM 799 CE3 TRP A 51 16.970 -10.561 -9.891 1.00 0.00 C ATOM 800 CZ2 TRP A 51 18.532 -8.317 -10.568 1.00 0.00 C ATOM 801 CZ3 TRP A 51 18.153 -10.301 -9.245 1.00 0.00 C ATOM 802 CH2 TRP A 51 18.930 -9.188 -9.574 1.00 0.00 C ATOM 0 H TRP A 51 14.363 -12.183 -14.457 1.00 0.00 H new ATOM 0 HA TRP A 51 15.603 -12.326 -11.833 1.00 0.00 H new ATOM 0 HB2 TRP A 51 13.465 -10.250 -12.410 1.00 0.00 H new ATOM 0 HB3 TRP A 51 13.882 -10.806 -10.800 1.00 0.00 H new ATOM 0 HD1 TRP A 51 14.867 -8.291 -13.321 1.00 0.00 H new ATOM 0 HE1 TRP A 51 17.036 -7.078 -12.678 1.00 0.00 H new ATOM 0 HE3 TRP A 51 16.380 -11.424 -9.621 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 19.127 -7.455 -10.833 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 18.490 -10.970 -8.467 1.00 0.00 H new ATOM 0 HH2 TRP A 51 19.853 -9.007 -9.044 1.00 0.00 H new ATOM 813 N THR A 52 12.961 -13.017 -11.090 1.00 0.00 N ATOM 814 CA THR A 52 11.873 -13.970 -10.876 1.00 0.00 C ATOM 815 C THR A 52 10.579 -13.314 -11.315 1.00 0.00 C ATOM 816 O THR A 52 9.520 -13.928 -11.335 1.00 0.00 O ATOM 817 CB THR A 52 11.737 -14.374 -9.384 1.00 0.00 C ATOM 818 OG1 THR A 52 10.965 -13.382 -8.683 1.00 0.00 O ATOM 819 CG2 THR A 52 13.076 -14.445 -8.739 1.00 0.00 C ATOM 0 H THR A 52 13.131 -12.370 -10.320 1.00 0.00 H new ATOM 0 HA THR A 52 12.089 -14.871 -11.450 1.00 0.00 H new ATOM 0 HB THR A 52 11.250 -15.348 -9.340 1.00 0.00 H new ATOM 0 HG1 THR A 52 10.879 -13.640 -7.741 1.00 0.00 H new ATOM 0 HG21 THR A 52 12.961 -14.730 -7.693 1.00 0.00 H new ATOM 0 HG22 THR A 52 13.688 -15.187 -9.252 1.00 0.00 H new ATOM 0 HG23 THR A 52 13.561 -13.471 -8.799 1.00 0.00 H new ATOM 827 N GLY A 53 10.688 -12.060 -11.661 1.00 0.00 N ATOM 828 CA GLY A 53 9.551 -11.297 -12.087 1.00 0.00 C ATOM 829 C GLY A 53 9.023 -10.426 -10.979 1.00 0.00 C ATOM 830 O GLY A 53 8.223 -9.535 -11.225 1.00 0.00 O ATOM 0 H GLY A 53 11.566 -11.541 -11.655 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.827 -10.676 -12.939 1.00 0.00 H new ATOM 0 HA3 GLY A 53 8.765 -11.972 -12.426 1.00 0.00 H new ATOM 834 N ALA A 54 9.501 -10.683 -9.741 1.00 0.00 N ATOM 835 CA ALA A 54 9.169 -9.869 -8.553 1.00 0.00 C ATOM 836 C ALA A 54 7.665 -9.533 -8.462 1.00 0.00 C ATOM 837 O ALA A 54 7.285 -8.474 -7.963 1.00 0.00 O ATOM 838 CB ALA A 54 10.009 -8.587 -8.564 1.00 0.00 C ATOM 0 H ALA A 54 10.128 -11.461 -9.539 1.00 0.00 H new ATOM 0 HA ALA A 54 9.406 -10.461 -7.669 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.766 -7.985 -7.688 1.00 0.00 H new ATOM 0 HB2 ALA A 54 11.068 -8.846 -8.544 1.00 0.00 H new ATOM 0 HB3 ALA A 54 9.792 -8.017 -9.468 1.00 0.00 H new ATOM 844 N LYS A 55 6.826 -10.483 -8.864 1.00 0.00 N ATOM 845 CA LYS A 55 5.383 -10.263 -8.924 1.00 0.00 C ATOM 846 C LYS A 55 4.784 -10.265 -7.511 1.00 0.00 C ATOM 847 O LYS A 55 5.233 -11.025 -6.648 1.00 0.00 O ATOM 848 CB LYS A 55 4.654 -11.411 -9.660 1.00 0.00 C ATOM 849 CG LYS A 55 4.551 -12.598 -8.756 1.00 0.00 C ATOM 850 CD LYS A 55 3.831 -13.789 -9.288 1.00 0.00 C ATOM 851 CE LYS A 55 3.849 -14.812 -8.179 1.00 0.00 C ATOM 852 NZ LYS A 55 3.155 -16.085 -8.505 1.00 0.00 N ATOM 0 H LYS A 55 7.121 -11.415 -9.154 1.00 0.00 H new ATOM 0 HA LYS A 55 5.249 -9.312 -9.440 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.660 -11.087 -9.967 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.196 -11.678 -10.567 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.561 -12.906 -8.483 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.055 -12.283 -7.838 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.809 -13.535 -9.568 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.320 -14.174 -10.183 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.885 -15.033 -7.922 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.387 -14.377 -7.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.214 -16.731 -7.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.156 -15.891 -8.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.608 -16.526 -9.331 1.00 0.00 H new ATOM 866 N ASP A 56 3.842 -9.354 -7.267 1.00 0.00 N ATOM 867 CA ASP A 56 2.922 -9.412 -6.084 1.00 0.00 C ATOM 868 C ASP A 56 3.673 -9.751 -4.807 1.00 0.00 C ATOM 869 O ASP A 56 3.178 -10.520 -3.989 1.00 0.00 O ATOM 870 CB ASP A 56 1.806 -10.447 -6.350 1.00 0.00 C ATOM 871 CG ASP A 56 0.522 -10.209 -5.539 1.00 0.00 C ATOM 872 OD1 ASP A 56 0.568 -9.506 -4.500 1.00 0.00 O ATOM 873 OD2 ASP A 56 -0.524 -10.752 -5.931 1.00 0.00 O ATOM 0 H ASP A 56 3.679 -8.548 -7.871 1.00 0.00 H new ATOM 0 HA ASP A 56 2.477 -8.427 -5.945 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.560 -10.435 -7.412 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.187 -11.443 -6.123 1.00 0.00 H new ATOM 878 N ARG A 57 4.870 -9.226 -4.662 1.00 0.00 N ATOM 879 CA ARG A 57 5.722 -9.657 -3.578 1.00 0.00 C ATOM 880 C ARG A 57 5.133 -9.306 -2.228 1.00 0.00 C ATOM 881 O ARG A 57 5.220 -10.084 -1.283 1.00 0.00 O ATOM 882 CB ARG A 57 7.108 -9.055 -3.663 1.00 0.00 C ATOM 883 CG ARG A 57 7.938 -9.548 -4.841 1.00 0.00 C ATOM 884 CD ARG A 57 8.030 -11.061 -4.848 1.00 0.00 C ATOM 885 NE ARG A 57 8.500 -11.619 -3.604 1.00 0.00 N ATOM 886 CZ ARG A 57 8.536 -12.929 -3.379 1.00 0.00 C ATOM 887 NH1 ARG A 57 8.346 -13.781 -4.391 1.00 0.00 N ATOM 888 NH2 ARG A 57 8.772 -13.376 -2.173 1.00 0.00 N ATOM 0 H ARG A 57 5.270 -8.512 -5.271 1.00 0.00 H new ATOM 0 HA ARG A 57 5.796 -10.740 -3.677 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.016 -7.971 -3.727 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.644 -9.275 -2.740 1.00 0.00 H new ATOM 0 HG2 ARG A 57 7.492 -9.203 -5.774 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.939 -9.120 -4.789 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.047 -11.475 -5.073 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.698 -11.372 -5.651 1.00 0.00 H new ATOM 0 HE ARG A 57 8.816 -10.986 -2.870 1.00 0.00 H new ATOM 0 HH11 ARG A 57 8.174 -13.426 -5.332 1.00 0.00 H new ATOM 0 HH12 ARG A 57 8.373 -14.787 -4.223 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.928 -12.720 -1.407 1.00 0.00 H new ATOM 0 HH22 ARG A 57 8.800 -14.380 -1.998 1.00 0.00 H new ATOM 902 N CYS A 58 4.553 -8.143 -2.151 1.00 0.00 N ATOM 903 CA CYS A 58 4.024 -7.657 -0.905 1.00 0.00 C ATOM 904 C CYS A 58 2.555 -7.465 -1.139 1.00 0.00 C ATOM 905 O CYS A 58 2.164 -7.095 -2.245 1.00 0.00 O ATOM 906 CB CYS A 58 4.684 -6.319 -0.599 1.00 0.00 C ATOM 907 SG CYS A 58 6.534 -6.402 -0.521 1.00 0.00 S ATOM 0 H CYS A 58 4.433 -7.509 -2.941 1.00 0.00 H new ATOM 0 HA CYS A 58 4.205 -8.336 -0.071 1.00 0.00 H new ATOM 0 HB2 CYS A 58 4.393 -5.597 -1.362 1.00 0.00 H new ATOM 0 HB3 CYS A 58 4.305 -5.946 0.353 1.00 0.00 H new ATOM 912 N ARG A 59 1.738 -7.652 -0.139 1.00 0.00 N ATOM 913 CA ARG A 59 0.324 -7.601 -0.374 1.00 0.00 C ATOM 914 C ARG A 59 -0.385 -6.607 0.535 1.00 0.00 C ATOM 915 O ARG A 59 -0.064 -6.460 1.708 1.00 0.00 O ATOM 916 CB ARG A 59 -0.257 -9.020 -0.242 1.00 0.00 C ATOM 917 CG ARG A 59 0.295 -9.949 -1.304 1.00 0.00 C ATOM 918 CD ARG A 59 -0.159 -11.384 -1.151 1.00 0.00 C ATOM 919 NE ARG A 59 -1.615 -11.554 -1.298 1.00 0.00 N ATOM 920 CZ ARG A 59 -2.234 -11.706 -2.474 1.00 0.00 C ATOM 921 NH1 ARG A 59 -1.593 -11.400 -3.605 1.00 0.00 N ATOM 922 NH2 ARG A 59 -3.530 -12.096 -2.522 1.00 0.00 N ATOM 0 H ARG A 59 2.019 -7.837 0.824 1.00 0.00 H new ATOM 0 HA ARG A 59 0.153 -7.237 -1.387 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.026 -9.418 0.746 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.343 -8.978 -0.323 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.007 -9.584 -2.286 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.384 -9.916 -1.273 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.348 -11.999 -1.894 1.00 0.00 H new ATOM 0 HD3 ARG A 59 0.146 -11.752 -0.171 1.00 0.00 H new ATOM 0 HE ARG A 59 -2.185 -11.556 -0.452 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -0.635 -11.052 -3.570 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -2.062 -11.515 -4.504 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.041 -12.276 -1.658 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -3.995 -12.210 -3.423 1.00 0.00 H new ATOM 936 N ARG A 60 -1.358 -5.976 -0.061 1.00 0.00 N ATOM 937 CA ARG A 60 -2.220 -4.960 0.521 1.00 0.00 C ATOM 938 C ARG A 60 -3.649 -5.400 0.326 1.00 0.00 C ATOM 939 O ARG A 60 -3.982 -6.008 -0.700 1.00 0.00 O ATOM 940 CB ARG A 60 -1.984 -3.628 -0.224 1.00 0.00 C ATOM 941 CG ARG A 60 -2.228 -3.800 -1.705 1.00 0.00 C ATOM 942 CD ARG A 60 -2.037 -2.552 -2.560 1.00 0.00 C ATOM 943 NE ARG A 60 -3.063 -1.540 -2.533 1.00 0.00 N ATOM 944 CZ ARG A 60 -3.780 -1.296 -3.668 1.00 0.00 C ATOM 945 NH1 ARG A 60 -3.769 -2.208 -4.662 1.00 0.00 N ATOM 946 NH2 ARG A 60 -4.518 -0.196 -3.804 1.00 0.00 N ATOM 0 H ARG A 60 -1.594 -6.165 -1.035 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.008 -4.826 1.582 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.648 -2.860 0.173 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.963 -3.286 -0.055 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.560 -4.577 -2.076 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.247 -4.162 -1.846 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -1.100 -2.083 -2.259 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.915 -2.873 -3.594 1.00 0.00 H new ATOM 0 HE ARG A 60 -3.250 -1.015 -1.679 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -3.229 -3.067 -4.560 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -4.301 -2.038 -5.516 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -4.557 0.489 -3.049 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -5.044 -0.038 -4.663 1.00 0.00 H new ATOM 960 N LYS A 61 -4.467 -5.113 1.258 1.00 0.00 N ATOM 961 CA LYS A 61 -5.828 -5.617 1.249 1.00 0.00 C ATOM 962 C LYS A 61 -6.818 -4.505 1.035 1.00 0.00 C ATOM 963 O LYS A 61 -6.521 -3.341 1.259 1.00 0.00 O ATOM 964 CB LYS A 61 -6.135 -6.279 2.557 1.00 0.00 C ATOM 965 CG LYS A 61 -7.505 -6.926 2.585 1.00 0.00 C ATOM 966 CD LYS A 61 -7.777 -7.612 3.886 1.00 0.00 C ATOM 967 CE LYS A 61 -9.138 -8.243 3.854 1.00 0.00 C ATOM 968 NZ LYS A 61 -9.467 -8.931 5.133 1.00 0.00 N ATOM 0 H LYS A 61 -4.238 -4.525 2.059 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.911 -6.332 0.431 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.378 -7.036 2.762 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.072 -5.540 3.356 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.267 -6.167 2.410 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.581 -7.648 1.772 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.018 -8.372 4.072 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.718 -6.895 4.705 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.887 -7.478 3.652 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.185 -8.960 3.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.415 -9.352 5.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.768 -9.679 5.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.448 -8.243 5.912 1.00 0.00 H new ATOM 982 N SER A 62 -7.976 -4.885 0.541 1.00 0.00 N ATOM 983 CA SER A 62 -9.056 -3.979 0.365 1.00 0.00 C ATOM 984 C SER A 62 -9.570 -3.579 1.753 1.00 0.00 C ATOM 985 O SER A 62 -9.676 -4.428 2.627 1.00 0.00 O ATOM 986 CB SER A 62 -10.165 -4.745 -0.333 1.00 0.00 C ATOM 987 OG SER A 62 -9.642 -5.491 -1.438 1.00 0.00 O ATOM 0 H SER A 62 -8.182 -5.841 0.252 1.00 0.00 H new ATOM 0 HA SER A 62 -8.751 -3.100 -0.203 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.648 -5.420 0.373 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.929 -4.051 -0.684 1.00 0.00 H new ATOM 0 HG SER A 62 -9.143 -4.891 -2.031 1.00 0.00 H new ATOM 993 N CYS A 63 -9.946 -2.295 1.963 1.00 0.00 N ATOM 994 CA CYS A 63 -10.456 -1.953 3.247 1.00 0.00 C ATOM 995 C CYS A 63 -11.965 -1.850 3.221 1.00 0.00 C ATOM 996 O CYS A 63 -12.577 -2.318 2.264 1.00 0.00 O ATOM 997 CB CYS A 63 -9.709 -0.832 4.035 1.00 0.00 C ATOM 998 SG CYS A 63 -10.111 0.929 3.880 1.00 0.00 S ATOM 0 H CYS A 63 -9.899 -1.538 1.281 1.00 0.00 H new ATOM 0 HA CYS A 63 -10.207 -2.798 3.889 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -9.810 -1.079 5.092 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -8.653 -0.930 3.784 1.00 0.00 H new ATOM 1003 N ARG A 64 -12.594 -1.347 4.266 1.00 0.00 N ATOM 1004 CA ARG A 64 -14.059 -1.409 4.300 1.00 0.00 C ATOM 1005 C ARG A 64 -14.694 -0.154 4.934 1.00 0.00 C ATOM 1006 O ARG A 64 -14.085 0.489 5.776 1.00 0.00 O ATOM 1007 CB ARG A 64 -14.507 -2.673 5.060 1.00 0.00 C ATOM 1008 CG ARG A 64 -14.164 -2.697 6.564 1.00 0.00 C ATOM 1009 CD ARG A 64 -12.664 -2.799 6.854 1.00 0.00 C ATOM 1010 NE ARG A 64 -12.420 -2.841 8.309 1.00 0.00 N ATOM 1011 CZ ARG A 64 -12.100 -1.785 9.078 1.00 0.00 C ATOM 1012 NH1 ARG A 64 -11.964 -0.579 8.532 1.00 0.00 N ATOM 1013 NH2 ARG A 64 -11.913 -1.951 10.380 1.00 0.00 N ATOM 0 H ARG A 64 -12.148 -0.909 5.072 1.00 0.00 H new ATOM 0 HA ARG A 64 -14.407 -1.451 3.268 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -15.586 -2.780 4.949 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -14.050 -3.542 4.587 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -14.554 -1.792 7.031 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -14.673 -3.541 7.030 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -12.257 -3.695 6.385 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -12.144 -1.946 6.417 1.00 0.00 H new ATOM 0 HE ARG A 64 -12.501 -3.747 8.770 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -12.103 -0.455 7.529 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.721 0.221 9.116 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.012 -2.877 10.795 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.670 -1.152 10.966 1.00 0.00 H new ATOM 1027 N ASN A 65 -15.938 0.148 4.542 1.00 0.00 N ATOM 1028 CA ASN A 65 -16.669 1.325 5.094 1.00 0.00 C ATOM 1029 C ASN A 65 -18.107 0.985 5.574 1.00 0.00 C ATOM 1030 O ASN A 65 -19.052 1.655 5.164 1.00 0.00 O ATOM 1031 CB ASN A 65 -16.733 2.474 4.040 1.00 0.00 C ATOM 1032 CG ASN A 65 -15.676 3.570 4.205 1.00 0.00 C ATOM 1033 OD1 ASN A 65 -15.266 4.190 3.228 1.00 0.00 O ATOM 1034 ND2 ASN A 65 -15.232 3.804 5.418 1.00 0.00 N ATOM 0 H ASN A 65 -16.465 -0.391 3.854 1.00 0.00 H new ATOM 0 HA ASN A 65 -16.104 1.647 5.968 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -16.630 2.039 3.046 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -17.720 2.934 4.087 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -14.523 4.521 5.572 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -15.596 3.269 6.206 1.00 0.00 H new ATOM 1041 N PRO A 66 -18.296 -0.041 6.449 1.00 0.00 N ATOM 1042 CA PRO A 66 -19.632 -0.364 7.001 1.00 0.00 C ATOM 1043 C PRO A 66 -20.253 0.729 7.970 1.00 0.00 C ATOM 1044 O PRO A 66 -21.467 0.832 8.048 1.00 0.00 O ATOM 1045 CB PRO A 66 -19.423 -1.692 7.756 1.00 0.00 C ATOM 1046 CG PRO A 66 -17.967 -1.785 8.014 1.00 0.00 C ATOM 1047 CD PRO A 66 -17.275 -1.009 6.906 1.00 0.00 C ATOM 0 HA PRO A 66 -20.355 -0.415 6.187 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -19.987 -1.704 8.689 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -19.770 -2.538 7.163 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -17.720 -1.368 8.990 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -17.641 -2.825 8.020 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -16.382 -0.503 7.272 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -16.959 -1.667 6.096 1.00 0.00 H new ATOM 1055 N PRO A 67 -19.451 1.529 8.766 1.00 0.00 N ATOM 1056 CA PRO A 67 -20.026 2.551 9.683 1.00 0.00 C ATOM 1057 C PRO A 67 -20.905 3.604 8.994 1.00 0.00 C ATOM 1058 O PRO A 67 -21.934 3.962 9.516 1.00 0.00 O ATOM 1059 CB PRO A 67 -18.765 3.242 10.251 1.00 0.00 C ATOM 1060 CG PRO A 67 -17.695 2.898 9.266 1.00 0.00 C ATOM 1061 CD PRO A 67 -17.997 1.499 8.867 1.00 0.00 C ATOM 0 HA PRO A 67 -20.685 2.083 10.414 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -18.902 4.320 10.332 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -18.523 2.875 11.249 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -17.714 3.569 8.407 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -16.704 2.979 9.712 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -17.526 1.232 7.921 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -17.653 0.778 9.609 1.00 0.00 H new ATOM 1069 N ASP A 68 -20.505 3.978 7.757 1.00 0.00 N ATOM 1070 CA ASP A 68 -21.188 4.986 6.859 1.00 0.00 C ATOM 1071 C ASP A 68 -21.819 6.258 7.554 1.00 0.00 C ATOM 1072 O ASP A 68 -22.311 6.231 8.670 1.00 0.00 O ATOM 1073 CB ASP A 68 -22.175 4.332 5.909 1.00 0.00 C ATOM 1074 CG ASP A 68 -23.414 3.752 6.559 1.00 0.00 C ATOM 1075 OD1 ASP A 68 -24.317 4.525 6.954 1.00 0.00 O ATOM 1076 OD2 ASP A 68 -23.532 2.498 6.610 1.00 0.00 O ATOM 0 H ASP A 68 -19.670 3.582 7.325 1.00 0.00 H new ATOM 0 HA ASP A 68 -20.353 5.395 6.290 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -22.485 5.070 5.169 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -21.662 3.536 5.370 1.00 0.00 H new ATOM 1081 N PRO A 69 -21.730 7.414 6.875 1.00 0.00 N ATOM 1082 CA PRO A 69 -22.338 8.671 7.306 1.00 0.00 C ATOM 1083 C PRO A 69 -23.865 8.655 7.175 1.00 0.00 C ATOM 1084 O PRO A 69 -24.428 7.957 6.343 1.00 0.00 O ATOM 1085 CB PRO A 69 -21.759 9.726 6.399 1.00 0.00 C ATOM 1086 CG PRO A 69 -20.701 9.055 5.644 1.00 0.00 C ATOM 1087 CD PRO A 69 -21.071 7.604 5.592 1.00 0.00 C ATOM 0 HA PRO A 69 -22.128 8.854 8.360 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -22.520 10.131 5.732 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -21.361 10.562 6.974 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -20.618 9.470 4.640 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -19.733 9.192 6.127 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -21.734 7.382 4.756 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -20.196 6.963 5.484 1.00 0.00 H new ATOM 1095 N VAL A 70 -24.510 9.499 7.952 1.00 0.00 N ATOM 1096 CA VAL A 70 -25.970 9.559 8.023 1.00 0.00 C ATOM 1097 C VAL A 70 -26.650 9.914 6.669 1.00 0.00 C ATOM 1098 O VAL A 70 -27.652 9.305 6.304 1.00 0.00 O ATOM 1099 CB VAL A 70 -26.411 10.609 9.101 1.00 0.00 C ATOM 1100 CG1 VAL A 70 -27.902 10.895 9.038 1.00 0.00 C ATOM 1101 CG2 VAL A 70 -26.035 10.143 10.485 1.00 0.00 C ATOM 0 H VAL A 70 -24.041 10.171 8.559 1.00 0.00 H new ATOM 0 HA VAL A 70 -26.298 8.555 8.294 1.00 0.00 H new ATOM 0 HB VAL A 70 -25.882 11.536 8.879 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -28.165 11.627 9.802 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -28.155 11.290 8.054 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -28.457 9.973 9.213 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -26.350 10.886 11.217 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -26.528 9.194 10.696 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -24.955 10.011 10.544 1.00 0.00 H new ATOM 1111 N ASN A 71 -26.148 10.918 5.938 1.00 0.00 N ATOM 1112 CA ASN A 71 -26.865 11.353 4.730 1.00 0.00 C ATOM 1113 C ASN A 71 -26.244 10.834 3.405 1.00 0.00 C ATOM 1114 O ASN A 71 -26.627 11.298 2.326 1.00 0.00 O ATOM 1115 CB ASN A 71 -27.078 12.908 4.718 1.00 0.00 C ATOM 1116 CG ASN A 71 -25.940 13.778 4.165 1.00 0.00 C ATOM 1117 OD1 ASN A 71 -25.135 13.343 3.354 1.00 0.00 O ATOM 1118 ND2 ASN A 71 -25.912 15.036 4.582 1.00 0.00 N ATOM 0 H ASN A 71 -25.288 11.425 6.147 1.00 0.00 H new ATOM 0 HA ASN A 71 -27.847 10.882 4.782 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -27.975 13.120 4.136 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -27.278 13.227 5.741 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -25.202 15.676 4.225 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -26.600 15.364 5.260 1.00 0.00 H new ATOM 1125 N GLY A 72 -25.319 9.861 3.466 1.00 0.00 N ATOM 1126 CA GLY A 72 -24.615 9.458 2.217 1.00 0.00 C ATOM 1127 C GLY A 72 -23.436 10.387 1.919 1.00 0.00 C ATOM 1128 O GLY A 72 -23.085 10.648 0.776 1.00 0.00 O ATOM 0 H GLY A 72 -25.046 9.358 4.310 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -24.258 8.433 2.313 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -25.314 9.475 1.381 1.00 0.00 H new ATOM 1132 N MET A 73 -22.868 10.878 2.995 1.00 0.00 N ATOM 1133 CA MET A 73 -21.857 11.908 3.019 1.00 0.00 C ATOM 1134 C MET A 73 -20.533 11.477 2.332 1.00 0.00 C ATOM 1135 O MET A 73 -19.864 12.291 1.693 1.00 0.00 O ATOM 1136 CB MET A 73 -21.642 12.261 4.459 1.00 0.00 C ATOM 1137 CG MET A 73 -22.908 12.829 5.100 1.00 0.00 C ATOM 1138 SD MET A 73 -22.780 13.192 6.857 1.00 0.00 S ATOM 1139 CE MET A 73 -24.324 14.076 7.160 1.00 0.00 C ATOM 0 H MET A 73 -23.113 10.551 3.930 1.00 0.00 H new ATOM 0 HA MET A 73 -22.195 12.771 2.445 1.00 0.00 H new ATOM 0 HB2 MET A 73 -21.324 11.374 5.007 1.00 0.00 H new ATOM 0 HB3 MET A 73 -20.836 12.991 4.538 1.00 0.00 H new ATOM 0 HG2 MET A 73 -23.183 13.744 4.575 1.00 0.00 H new ATOM 0 HG3 MET A 73 -23.722 12.119 4.950 1.00 0.00 H new ATOM 0 HE1 MET A 73 -24.396 14.331 8.217 1.00 0.00 H new ATOM 0 HE2 MET A 73 -24.344 14.989 6.564 1.00 0.00 H new ATOM 0 HE3 MET A 73 -25.166 13.443 6.882 1.00 0.00 H new ATOM 1149 N VAL A 74 -20.143 10.225 2.513 1.00 0.00 N ATOM 1150 CA VAL A 74 -18.835 9.726 2.003 1.00 0.00 C ATOM 1151 C VAL A 74 -18.751 9.672 0.482 1.00 0.00 C ATOM 1152 O VAL A 74 -19.644 9.176 -0.209 1.00 0.00 O ATOM 1153 CB VAL A 74 -18.472 8.293 2.567 1.00 0.00 C ATOM 1154 CG1 VAL A 74 -17.281 7.683 1.838 1.00 0.00 C ATOM 1155 CG2 VAL A 74 -18.105 8.407 4.020 1.00 0.00 C ATOM 0 H VAL A 74 -20.697 9.523 3.005 1.00 0.00 H new ATOM 0 HA VAL A 74 -18.116 10.461 2.365 1.00 0.00 H new ATOM 0 HB VAL A 74 -19.345 7.656 2.422 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -17.064 6.700 2.255 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -17.515 7.584 0.778 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -16.411 8.328 1.959 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -17.855 7.421 4.410 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -17.246 9.069 4.127 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -18.948 8.814 4.577 1.00 0.00 H new ATOM 1165 N HIS A 75 -17.642 10.202 0.002 1.00 0.00 N ATOM 1166 CA HIS A 75 -17.248 10.118 -1.388 1.00 0.00 C ATOM 1167 C HIS A 75 -16.009 9.285 -1.474 1.00 0.00 C ATOM 1168 O HIS A 75 -14.985 9.618 -0.863 1.00 0.00 O ATOM 1169 CB HIS A 75 -16.987 11.509 -2.002 1.00 0.00 C ATOM 1170 CG HIS A 75 -18.224 12.321 -2.213 1.00 0.00 C ATOM 1171 ND1 HIS A 75 -18.972 12.269 -3.376 1.00 0.00 N ATOM 1172 CD2 HIS A 75 -18.876 13.162 -1.394 1.00 0.00 C ATOM 1173 CE1 HIS A 75 -20.025 13.049 -3.265 1.00 0.00 C ATOM 1174 NE2 HIS A 75 -19.999 13.612 -2.073 1.00 0.00 N ATOM 0 H HIS A 75 -16.977 10.714 0.582 1.00 0.00 H new ATOM 0 HA HIS A 75 -18.062 9.666 -1.955 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -16.309 12.061 -1.351 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -16.479 11.383 -2.958 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -18.581 13.437 -0.392 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -20.781 13.202 -4.021 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -20.690 14.269 -1.710 1.00 0.00 H new ATOM 1182 N VAL A 76 -16.075 8.236 -2.261 1.00 0.00 N ATOM 1183 CA VAL A 76 -14.941 7.344 -2.397 1.00 0.00 C ATOM 1184 C VAL A 76 -14.137 7.672 -3.663 1.00 0.00 C ATOM 1185 O VAL A 76 -14.583 7.476 -4.785 1.00 0.00 O ATOM 1186 CB VAL A 76 -15.430 5.854 -2.426 1.00 0.00 C ATOM 1187 CG1 VAL A 76 -16.485 5.656 -3.495 1.00 0.00 C ATOM 1188 CG2 VAL A 76 -14.272 4.895 -2.663 1.00 0.00 C ATOM 0 H VAL A 76 -16.893 7.979 -2.813 1.00 0.00 H new ATOM 0 HA VAL A 76 -14.286 7.483 -1.537 1.00 0.00 H new ATOM 0 HB VAL A 76 -15.865 5.635 -1.451 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -16.810 4.616 -3.497 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -17.338 6.302 -3.288 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -16.067 5.908 -4.470 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -14.645 3.871 -2.677 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -13.801 5.123 -3.619 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -13.540 5.003 -1.863 1.00 0.00 H new ATOM 1198 N ILE A 77 -12.937 8.244 -3.432 1.00 0.00 N ATOM 1199 CA ILE A 77 -12.074 8.671 -4.534 1.00 0.00 C ATOM 1200 C ILE A 77 -11.580 7.513 -5.401 1.00 0.00 C ATOM 1201 O ILE A 77 -11.619 7.586 -6.631 1.00 0.00 O ATOM 1202 CB ILE A 77 -10.810 9.369 -3.998 1.00 0.00 C ATOM 1203 CG1 ILE A 77 -11.133 10.705 -3.329 1.00 0.00 C ATOM 1204 CG2 ILE A 77 -9.788 9.582 -5.097 1.00 0.00 C ATOM 1205 CD1 ILE A 77 -9.929 11.245 -2.595 1.00 0.00 C ATOM 0 H ILE A 77 -12.554 8.416 -2.502 1.00 0.00 H new ATOM 0 HA ILE A 77 -12.695 9.339 -5.132 1.00 0.00 H new ATOM 0 HB ILE A 77 -10.386 8.704 -3.245 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -11.458 11.424 -4.081 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -11.961 10.577 -2.632 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -8.908 10.077 -4.685 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -9.499 8.619 -5.517 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -10.221 10.204 -5.880 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -10.184 12.196 -2.128 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -9.622 10.534 -1.828 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -9.111 11.395 -3.299 1.00 0.00 H new ATOM 1217 N LYS A 78 -11.129 6.440 -4.748 1.00 0.00 N ATOM 1218 CA LYS A 78 -10.496 5.326 -5.479 1.00 0.00 C ATOM 1219 C LYS A 78 -11.366 4.061 -5.595 1.00 0.00 C ATOM 1220 O LYS A 78 -11.535 3.526 -6.689 1.00 0.00 O ATOM 1221 CB LYS A 78 -9.139 4.984 -4.880 1.00 0.00 C ATOM 1222 CG LYS A 78 -8.139 6.135 -4.942 1.00 0.00 C ATOM 1223 CD LYS A 78 -7.792 6.508 -6.389 1.00 0.00 C ATOM 1224 CE LYS A 78 -6.801 7.640 -6.437 1.00 0.00 C ATOM 1225 NZ LYS A 78 -6.421 8.039 -7.827 1.00 0.00 N ATOM 0 H LYS A 78 -11.185 6.313 -3.737 1.00 0.00 H new ATOM 0 HA LYS A 78 -10.367 5.691 -6.498 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.274 4.686 -3.840 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.725 4.124 -5.406 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.553 7.005 -4.431 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -7.229 5.856 -4.410 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.381 5.639 -6.903 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.699 6.793 -6.921 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.222 8.503 -5.921 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -5.903 7.350 -5.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -5.737 8.822 -7.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.992 7.228 -8.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.270 8.345 -8.344 1.00 0.00 H new ATOM 1239 N GLY A 79 -11.897 3.606 -4.460 1.00 0.00 N ATOM 1240 CA GLY A 79 -12.703 2.414 -4.472 1.00 0.00 C ATOM 1241 C GLY A 79 -12.523 1.519 -3.239 1.00 0.00 C ATOM 1242 O GLY A 79 -12.771 0.315 -3.325 1.00 0.00 O ATOM 0 H GLY A 79 -11.780 4.043 -3.546 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -13.752 2.699 -4.550 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -12.463 1.836 -5.364 1.00 0.00 H new ATOM 1246 N ILE A 80 -12.117 2.114 -2.084 1.00 0.00 N ATOM 1247 CA ILE A 80 -11.966 1.368 -0.807 1.00 0.00 C ATOM 1248 C ILE A 80 -10.889 0.234 -0.955 1.00 0.00 C ATOM 1249 O ILE A 80 -11.192 -0.884 -1.365 1.00 0.00 O ATOM 1250 CB ILE A 80 -13.332 0.748 -0.390 1.00 0.00 C ATOM 1251 CG1 ILE A 80 -14.452 1.808 -0.373 1.00 0.00 C ATOM 1252 CG2 ILE A 80 -13.211 0.162 0.975 1.00 0.00 C ATOM 1253 CD1 ILE A 80 -14.219 2.961 0.586 1.00 0.00 C ATOM 0 H ILE A 80 -11.889 3.106 -2.013 1.00 0.00 H new ATOM 0 HA ILE A 80 -11.636 2.064 -0.036 1.00 0.00 H new ATOM 0 HB ILE A 80 -13.589 -0.019 -1.120 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -14.570 2.209 -1.380 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -15.391 1.320 -0.112 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -14.166 -0.273 1.270 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -12.445 -0.613 0.972 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -12.934 0.943 1.683 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -15.057 3.656 0.530 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -14.133 2.577 1.603 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -13.299 3.479 0.315 1.00 0.00 H new ATOM 1265 N GLN A 81 -9.634 0.566 -0.613 1.00 0.00 N ATOM 1266 CA GLN A 81 -8.470 -0.318 -0.843 1.00 0.00 C ATOM 1267 C GLN A 81 -7.256 0.324 -0.172 1.00 0.00 C ATOM 1268 O GLN A 81 -7.291 1.508 0.116 1.00 0.00 O ATOM 1269 CB GLN A 81 -8.219 -0.400 -2.338 1.00 0.00 C ATOM 1270 CG GLN A 81 -7.084 -1.311 -2.748 1.00 0.00 C ATOM 1271 CD GLN A 81 -7.316 -2.774 -2.470 1.00 0.00 C ATOM 1272 OE1 GLN A 81 -8.433 -3.265 -2.597 1.00 0.00 O ATOM 1273 NE2 GLN A 81 -6.259 -3.479 -2.103 1.00 0.00 N ATOM 0 H GLN A 81 -9.393 1.452 -0.170 1.00 0.00 H new ATOM 0 HA GLN A 81 -8.649 -1.315 -0.439 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -9.132 -0.741 -2.826 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -8.013 0.603 -2.712 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -6.901 -1.183 -3.815 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -6.178 -0.996 -2.229 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -5.350 -3.025 -2.011 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -6.353 -4.477 -1.912 1.00 0.00 H new ATOM 1282 N PHE A 82 -6.172 -0.420 0.010 1.00 0.00 N ATOM 1283 CA PHE A 82 -5.005 0.181 0.618 1.00 0.00 C ATOM 1284 C PHE A 82 -4.490 1.269 -0.282 1.00 0.00 C ATOM 1285 O PHE A 82 -4.291 1.054 -1.476 1.00 0.00 O ATOM 1286 CB PHE A 82 -3.929 -0.863 0.899 1.00 0.00 C ATOM 1287 CG PHE A 82 -2.642 -0.264 1.422 1.00 0.00 C ATOM 1288 CD1 PHE A 82 -2.591 0.365 2.665 1.00 0.00 C ATOM 1289 CD2 PHE A 82 -1.489 -0.342 0.670 1.00 0.00 C ATOM 1290 CE1 PHE A 82 -1.406 0.913 3.132 1.00 0.00 C ATOM 1291 CE2 PHE A 82 -0.300 0.204 1.131 1.00 0.00 C ATOM 1292 CZ PHE A 82 -0.263 0.827 2.357 1.00 0.00 C ATOM 0 H PHE A 82 -6.081 -1.403 -0.245 1.00 0.00 H new ATOM 0 HA PHE A 82 -5.283 0.614 1.579 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -4.309 -1.582 1.625 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.720 -1.416 -0.017 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.483 0.426 3.270 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -1.512 -0.835 -0.291 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.375 1.403 4.094 1.00 0.00 H new ATOM 0 HE2 PHE A 82 0.594 0.140 0.529 1.00 0.00 H new ATOM 0 HZ PHE A 82 0.663 1.251 2.716 1.00 0.00 H new ATOM 1302 N GLY A 83 -4.255 2.437 0.302 1.00 0.00 N ATOM 1303 CA GLY A 83 -3.883 3.600 -0.494 1.00 0.00 C ATOM 1304 C GLY A 83 -5.111 4.339 -1.058 1.00 0.00 C ATOM 1305 O GLY A 83 -4.993 5.121 -1.987 1.00 0.00 O ATOM 0 H GLY A 83 -4.314 2.604 1.307 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.299 4.286 0.120 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -3.242 3.284 -1.317 1.00 0.00 H new ATOM 1309 N SER A 84 -6.293 4.072 -0.508 1.00 0.00 N ATOM 1310 CA SER A 84 -7.522 4.771 -0.936 1.00 0.00 C ATOM 1311 C SER A 84 -8.002 5.689 0.154 1.00 0.00 C ATOM 1312 O SER A 84 -8.000 5.342 1.336 1.00 0.00 O ATOM 1313 CB SER A 84 -8.632 3.779 -1.333 1.00 0.00 C ATOM 1314 OG SER A 84 -9.826 4.475 -1.690 1.00 0.00 O ATOM 0 H SER A 84 -6.435 3.383 0.231 1.00 0.00 H new ATOM 0 HA SER A 84 -7.280 5.362 -1.819 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.297 3.167 -2.171 1.00 0.00 H new ATOM 0 HB3 SER A 84 -8.834 3.101 -0.504 1.00 0.00 H new ATOM 0 HG SER A 84 -10.510 4.325 -1.004 1.00 0.00 H new ATOM 1320 N GLN A 85 -8.399 6.867 -0.260 1.00 0.00 N ATOM 1321 CA GLN A 85 -8.857 7.937 0.609 1.00 0.00 C ATOM 1322 C GLN A 85 -10.311 8.336 0.252 1.00 0.00 C ATOM 1323 O GLN A 85 -10.646 8.443 -0.924 1.00 0.00 O ATOM 1324 CB GLN A 85 -7.925 9.151 0.447 1.00 0.00 C ATOM 1325 CG GLN A 85 -8.320 10.381 1.259 1.00 0.00 C ATOM 1326 CD GLN A 85 -7.323 11.527 1.123 1.00 0.00 C ATOM 1327 OE1 GLN A 85 -6.164 11.317 0.780 1.00 0.00 O ATOM 1328 NE2 GLN A 85 -7.778 12.739 1.351 1.00 0.00 N ATOM 0 H GLN A 85 -8.415 7.122 -1.247 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.838 7.594 1.643 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -6.915 8.855 0.732 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.891 9.426 -0.607 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -9.304 10.722 0.937 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.407 10.104 2.310 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -8.748 12.874 1.635 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -7.161 13.544 1.244 1.00 0.00 H new ATOM 1337 N ILE A 86 -11.167 8.505 1.261 1.00 0.00 N ATOM 1338 CA ILE A 86 -12.544 8.935 1.011 1.00 0.00 C ATOM 1339 C ILE A 86 -12.873 10.162 1.886 1.00 0.00 C ATOM 1340 O ILE A 86 -12.159 10.430 2.833 1.00 0.00 O ATOM 1341 CB ILE A 86 -13.646 7.841 1.251 1.00 0.00 C ATOM 1342 CG1 ILE A 86 -14.014 7.688 2.745 1.00 0.00 C ATOM 1343 CG2 ILE A 86 -13.209 6.500 0.643 1.00 0.00 C ATOM 1344 CD1 ILE A 86 -12.924 7.126 3.611 1.00 0.00 C ATOM 0 H ILE A 86 -10.937 8.354 2.243 1.00 0.00 H new ATOM 0 HA ILE A 86 -12.575 9.167 -0.053 1.00 0.00 H new ATOM 0 HB ILE A 86 -14.552 8.175 0.745 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -14.301 8.665 3.135 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -14.889 7.043 2.824 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -13.983 5.752 0.817 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -13.055 6.620 -0.429 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -12.279 6.175 1.109 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -13.276 7.057 4.640 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -12.650 6.133 3.253 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -12.053 7.780 3.569 1.00 0.00 H new ATOM 1356 N LYS A 87 -13.936 10.876 1.553 1.00 0.00 N ATOM 1357 CA LYS A 87 -14.280 12.091 2.293 1.00 0.00 C ATOM 1358 C LYS A 87 -15.445 11.891 3.254 1.00 0.00 C ATOM 1359 O LYS A 87 -16.402 11.160 2.983 1.00 0.00 O ATOM 1360 CB LYS A 87 -14.627 13.196 1.326 1.00 0.00 C ATOM 1361 CG LYS A 87 -13.458 14.035 0.849 1.00 0.00 C ATOM 1362 CD LYS A 87 -12.578 13.250 -0.092 1.00 0.00 C ATOM 1363 CE LYS A 87 -11.490 14.123 -0.687 1.00 0.00 C ATOM 1364 NZ LYS A 87 -12.083 15.171 -1.570 1.00 0.00 N ATOM 0 H LYS A 87 -14.570 10.645 0.788 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.405 12.355 2.887 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -15.114 12.755 0.456 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.355 13.854 1.799 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -13.828 14.929 0.346 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -12.873 14.370 1.705 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -12.125 12.415 0.442 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -13.185 12.826 -0.892 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -10.917 14.594 0.111 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.795 13.508 -1.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.615 15.148 -2.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -13.100 14.989 -1.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.948 16.107 -1.137 1.00 0.00 H new ATOM 1378 N TYR A 88 -15.332 12.595 4.357 1.00 0.00 N ATOM 1379 CA TYR A 88 -16.309 12.623 5.417 1.00 0.00 C ATOM 1380 C TYR A 88 -16.905 13.988 5.627 1.00 0.00 C ATOM 1381 O TYR A 88 -16.708 14.601 6.670 1.00 0.00 O ATOM 1382 CB TYR A 88 -15.737 12.115 6.725 1.00 0.00 C ATOM 1383 CG TYR A 88 -15.777 10.627 6.882 1.00 0.00 C ATOM 1384 CD1 TYR A 88 -16.984 9.970 7.117 1.00 0.00 C ATOM 1385 CD2 TYR A 88 -14.618 9.875 6.820 1.00 0.00 C ATOM 1386 CE1 TYR A 88 -17.024 8.614 7.288 1.00 0.00 C ATOM 1387 CE2 TYR A 88 -14.654 8.505 6.997 1.00 0.00 C ATOM 1388 CZ TYR A 88 -15.854 7.883 7.228 1.00 0.00 C ATOM 1389 OH TYR A 88 -15.899 6.505 7.411 1.00 0.00 O ATOM 0 H TYR A 88 -14.523 13.187 4.546 1.00 0.00 H new ATOM 0 HA TYR A 88 -17.106 11.954 5.093 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -14.703 12.449 6.809 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -16.287 12.570 7.549 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -17.900 10.540 7.165 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -13.674 10.364 6.631 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -17.966 8.117 7.469 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -13.742 7.928 6.954 1.00 0.00 H new ATOM 0 HH TYR A 88 -14.994 6.136 7.338 1.00 0.00 H new ATOM 1399 N SER A 89 -17.552 14.501 4.622 1.00 0.00 N ATOM 1400 CA SER A 89 -18.314 15.675 4.813 1.00 0.00 C ATOM 1401 C SER A 89 -19.548 15.261 5.555 1.00 0.00 C ATOM 1402 O SER A 89 -19.921 14.110 5.535 1.00 0.00 O ATOM 1403 CB SER A 89 -18.657 16.275 3.462 1.00 0.00 C ATOM 1404 OG SER A 89 -19.207 15.303 2.591 1.00 0.00 O ATOM 0 H SER A 89 -17.561 14.122 3.675 1.00 0.00 H new ATOM 0 HA SER A 89 -17.771 16.433 5.377 1.00 0.00 H new ATOM 0 HB2 SER A 89 -19.367 17.091 3.594 1.00 0.00 H new ATOM 0 HB3 SER A 89 -17.760 16.702 3.013 1.00 0.00 H new ATOM 0 HG SER A 89 -19.419 15.719 1.729 1.00 0.00 H new ATOM 1410 N CYS A 90 -20.151 16.160 6.223 1.00 0.00 N ATOM 1411 CA CYS A 90 -21.348 15.840 6.936 1.00 0.00 C ATOM 1412 C CYS A 90 -22.548 16.590 6.331 1.00 0.00 C ATOM 1413 O CYS A 90 -22.913 16.425 5.177 1.00 0.00 O ATOM 1414 CB CYS A 90 -21.181 16.205 8.418 1.00 0.00 C ATOM 1415 SG CYS A 90 -19.942 15.233 9.317 1.00 0.00 S ATOM 0 H CYS A 90 -19.846 17.130 6.300 1.00 0.00 H new ATOM 0 HA CYS A 90 -21.536 14.769 6.853 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -20.913 17.259 8.488 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -22.144 16.087 8.916 1.00 0.00 H new ATOM 1420 N THR A 91 -23.119 17.373 7.169 1.00 0.00 N ATOM 1421 CA THR A 91 -24.263 18.202 6.925 1.00 0.00 C ATOM 1422 C THR A 91 -23.805 19.496 6.220 1.00 0.00 C ATOM 1423 O THR A 91 -22.644 19.739 6.150 1.00 0.00 O ATOM 1424 CB THR A 91 -24.842 18.543 8.316 1.00 0.00 C ATOM 1425 OG1 THR A 91 -25.484 17.397 8.884 1.00 0.00 O ATOM 1426 CG2 THR A 91 -25.744 19.730 8.295 1.00 0.00 C ATOM 0 H THR A 91 -22.778 17.466 8.126 1.00 0.00 H new ATOM 0 HA THR A 91 -25.002 17.708 6.295 1.00 0.00 H new ATOM 0 HB THR A 91 -24.004 18.821 8.955 1.00 0.00 H new ATOM 0 HG1 THR A 91 -25.844 17.627 9.766 1.00 0.00 H new ATOM 0 HG21 THR A 91 -26.119 19.920 9.301 1.00 0.00 H new ATOM 0 HG22 THR A 91 -25.191 20.601 7.944 1.00 0.00 H new ATOM 0 HG23 THR A 91 -26.582 19.538 7.625 1.00 0.00 H new ATOM 1434 N LYS A 92 -24.685 20.240 5.587 1.00 0.00 N ATOM 1435 CA LYS A 92 -24.253 21.563 5.079 1.00 0.00 C ATOM 1436 C LYS A 92 -23.834 22.571 6.167 1.00 0.00 C ATOM 1437 O LYS A 92 -22.755 23.182 6.092 1.00 0.00 O ATOM 1438 CB LYS A 92 -25.361 22.272 4.367 1.00 0.00 C ATOM 1439 CG LYS A 92 -24.843 23.611 3.895 1.00 0.00 C ATOM 1440 CD LYS A 92 -25.837 24.408 3.151 1.00 0.00 C ATOM 1441 CE LYS A 92 -26.973 24.883 4.052 1.00 0.00 C ATOM 1442 NZ LYS A 92 -27.905 25.803 3.362 1.00 0.00 N ATOM 0 H LYS A 92 -25.657 19.988 5.408 1.00 0.00 H new ATOM 0 HA LYS A 92 -23.408 21.302 4.442 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -25.708 21.680 3.520 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -26.214 22.408 5.032 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -24.505 24.184 4.759 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -23.972 23.449 3.260 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -25.347 25.270 2.699 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -26.245 23.810 2.336 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -27.527 24.018 4.417 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -26.554 25.384 4.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -28.656 26.094 4.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -27.386 26.643 3.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -28.329 25.319 2.545 1.00 0.00 H new ATOM 1456 N GLY A 93 -24.655 22.709 7.169 1.00 0.00 N ATOM 1457 CA GLY A 93 -24.434 23.739 8.146 1.00 0.00 C ATOM 1458 C GLY A 93 -23.750 23.205 9.334 1.00 0.00 C ATOM 1459 O GLY A 93 -24.304 23.156 10.429 1.00 0.00 O ATOM 0 H GLY A 93 -25.477 22.127 7.331 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -23.837 24.538 7.707 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -25.388 24.178 8.438 1.00 0.00 H new ATOM 1463 N TYR A 94 -22.553 22.767 9.125 1.00 0.00 N ATOM 1464 CA TYR A 94 -21.844 22.046 10.169 1.00 0.00 C ATOM 1465 C TYR A 94 -20.337 22.280 10.013 1.00 0.00 C ATOM 1466 O TYR A 94 -19.875 22.876 9.033 1.00 0.00 O ATOM 1467 CB TYR A 94 -22.060 20.552 10.051 1.00 0.00 C ATOM 1468 CG TYR A 94 -21.038 19.915 9.157 1.00 0.00 C ATOM 1469 CD1 TYR A 94 -20.834 20.354 7.868 1.00 0.00 C ATOM 1470 CD2 TYR A 94 -20.192 18.952 9.652 1.00 0.00 C ATOM 1471 CE1 TYR A 94 -19.830 19.820 7.069 1.00 0.00 C ATOM 1472 CE2 TYR A 94 -19.171 18.428 8.868 1.00 0.00 C ATOM 1473 CZ TYR A 94 -19.006 18.868 7.577 1.00 0.00 C ATOM 1474 OH TYR A 94 -18.008 18.350 6.796 1.00 0.00 O ATOM 0 H TYR A 94 -22.035 22.886 8.254 1.00 0.00 H new ATOM 0 HA TYR A 94 -22.220 22.406 11.127 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -22.012 20.098 11.041 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -23.058 20.358 9.659 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -21.469 21.131 7.469 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -20.322 18.598 10.664 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -19.706 20.160 6.051 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -18.509 17.677 9.273 1.00 0.00 H new ATOM 0 HH TYR A 94 -17.157 18.780 7.024 1.00 0.00 H new ATOM 1484 N ARG A 95 -19.588 21.866 11.001 1.00 0.00 N ATOM 1485 CA ARG A 95 -18.148 21.863 10.912 1.00 0.00 C ATOM 1486 C ARG A 95 -17.708 20.454 11.235 1.00 0.00 C ATOM 1487 O ARG A 95 -18.407 19.754 11.970 1.00 0.00 O ATOM 1488 CB ARG A 95 -17.524 22.809 11.928 1.00 0.00 C ATOM 1489 CG ARG A 95 -17.919 24.187 11.636 1.00 0.00 C ATOM 1490 CD ARG A 95 -17.328 25.207 12.566 1.00 0.00 C ATOM 1491 NE ARG A 95 -17.804 26.535 12.207 1.00 0.00 N ATOM 1492 CZ ARG A 95 -17.184 27.337 11.344 1.00 0.00 C ATOM 1493 NH1 ARG A 95 -16.035 26.983 10.796 1.00 0.00 N ATOM 1494 NH2 ARG A 95 -17.740 28.515 11.043 1.00 0.00 N ATOM 0 H ARG A 95 -19.956 21.522 11.888 1.00 0.00 H new ATOM 0 HA ARG A 95 -17.836 22.188 9.920 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -17.842 22.536 12.934 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -16.438 22.720 11.901 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -17.624 24.429 10.615 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -19.006 24.259 11.680 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -17.604 24.978 13.595 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -16.240 25.174 12.513 1.00 0.00 H new ATOM 0 HE ARG A 95 -18.663 26.871 12.642 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -15.612 26.085 11.033 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -15.571 27.607 10.136 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -18.625 28.786 11.472 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -17.280 29.143 10.384 1.00 0.00 H new ATOM 1508 N LEU A 96 -16.632 19.978 10.656 1.00 0.00 N ATOM 1509 CA LEU A 96 -16.238 18.631 11.011 1.00 0.00 C ATOM 1510 C LEU A 96 -15.110 18.765 12.022 1.00 0.00 C ATOM 1511 O LEU A 96 -14.064 19.311 11.721 1.00 0.00 O ATOM 1512 CB LEU A 96 -15.685 17.907 9.784 1.00 0.00 C ATOM 1513 CG LEU A 96 -15.503 16.419 9.966 1.00 0.00 C ATOM 1514 CD1 LEU A 96 -16.857 15.739 9.900 1.00 0.00 C ATOM 1515 CD2 LEU A 96 -14.586 15.867 8.968 1.00 0.00 C ATOM 0 H LEU A 96 -16.044 20.464 9.979 1.00 0.00 H new ATOM 0 HA LEU A 96 -17.089 18.074 11.403 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -16.357 18.078 8.943 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -14.724 18.348 9.519 1.00 0.00 H new ATOM 0 HG LEU A 96 -15.056 16.234 10.943 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -16.731 14.664 10.031 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -17.499 16.128 10.691 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -17.316 15.935 8.931 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -14.477 14.794 9.128 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -14.984 16.047 7.969 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -13.613 16.348 9.063 1.00 0.00 H new ATOM 1527 N ILE A 97 -15.354 18.251 13.218 1.00 0.00 N ATOM 1528 CA ILE A 97 -14.387 18.316 14.309 1.00 0.00 C ATOM 1529 C ILE A 97 -13.104 17.492 14.027 1.00 0.00 C ATOM 1530 O ILE A 97 -11.993 17.957 14.252 1.00 0.00 O ATOM 1531 CB ILE A 97 -14.999 17.856 15.642 1.00 0.00 C ATOM 1532 CG1 ILE A 97 -16.293 18.648 15.957 1.00 0.00 C ATOM 1533 CG2 ILE A 97 -13.991 18.024 16.790 1.00 0.00 C ATOM 1534 CD1 ILE A 97 -16.122 20.150 16.082 1.00 0.00 C ATOM 0 H ILE A 97 -16.224 17.778 13.462 1.00 0.00 H new ATOM 0 HA ILE A 97 -14.107 19.367 14.384 1.00 0.00 H new ATOM 0 HB ILE A 97 -15.250 16.800 15.547 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -17.022 18.446 15.172 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -16.714 18.268 16.888 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -14.445 17.693 17.724 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -13.103 17.425 16.585 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -13.709 19.073 16.876 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -17.086 20.609 16.303 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -15.422 20.371 16.888 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -15.735 20.551 15.145 1.00 0.00 H new ATOM 1546 N GLY A 98 -13.300 16.274 13.522 1.00 0.00 N ATOM 1547 CA GLY A 98 -12.185 15.360 13.308 1.00 0.00 C ATOM 1548 C GLY A 98 -11.720 15.253 11.878 1.00 0.00 C ATOM 1549 O GLY A 98 -11.694 16.239 11.149 1.00 0.00 O ATOM 0 H GLY A 98 -14.212 15.903 13.257 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -11.346 15.682 13.925 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -12.474 14.368 13.656 1.00 0.00 H new ATOM 1553 N SER A 99 -11.357 14.032 11.479 1.00 0.00 N ATOM 1554 CA SER A 99 -10.778 13.793 10.168 1.00 0.00 C ATOM 1555 C SER A 99 -11.807 13.926 9.029 1.00 0.00 C ATOM 1556 O SER A 99 -12.765 13.170 8.962 1.00 0.00 O ATOM 1557 CB SER A 99 -10.164 12.389 10.170 1.00 0.00 C ATOM 1558 OG SER A 99 -9.418 12.194 11.344 1.00 0.00 O ATOM 0 H SER A 99 -11.457 13.194 12.052 1.00 0.00 H new ATOM 0 HA SER A 99 -10.019 14.552 9.981 1.00 0.00 H new ATOM 0 HB2 SER A 99 -10.951 11.638 10.100 1.00 0.00 H new ATOM 0 HB3 SER A 99 -9.524 12.261 9.297 1.00 0.00 H new ATOM 0 HG SER A 99 -9.030 11.294 11.339 1.00 0.00 H new ATOM 1564 N SER A 100 -11.588 14.929 8.166 1.00 0.00 N ATOM 1565 CA SER A 100 -12.372 15.169 6.958 1.00 0.00 C ATOM 1566 C SER A 100 -12.269 14.025 5.979 1.00 0.00 C ATOM 1567 O SER A 100 -13.232 13.646 5.360 1.00 0.00 O ATOM 1568 CB SER A 100 -12.050 16.533 6.313 1.00 0.00 C ATOM 1569 OG SER A 100 -12.851 16.759 5.169 1.00 0.00 O ATOM 0 H SER A 100 -10.840 15.610 8.298 1.00 0.00 H new ATOM 0 HA SER A 100 -13.417 15.218 7.265 1.00 0.00 H new ATOM 0 HB2 SER A 100 -12.215 17.329 7.039 1.00 0.00 H new ATOM 0 HB3 SER A 100 -10.997 16.567 6.035 1.00 0.00 H new ATOM 0 HG SER A 100 -12.628 17.631 4.781 1.00 0.00 H new ATOM 1575 N SER A 101 -11.079 13.506 5.806 1.00 0.00 N ATOM 1576 CA SER A 101 -10.881 12.444 4.879 1.00 0.00 C ATOM 1577 C SER A 101 -10.108 11.319 5.570 1.00 0.00 C ATOM 1578 O SER A 101 -9.330 11.566 6.486 1.00 0.00 O ATOM 1579 CB SER A 101 -10.118 12.965 3.658 1.00 0.00 C ATOM 1580 OG SER A 101 -10.860 13.995 3.011 1.00 0.00 O ATOM 0 H SER A 101 -10.239 13.808 6.300 1.00 0.00 H new ATOM 0 HA SER A 101 -11.841 12.054 4.540 1.00 0.00 H new ATOM 0 HB2 SER A 101 -9.145 13.347 3.965 1.00 0.00 H new ATOM 0 HB3 SER A 101 -9.934 12.148 2.961 1.00 0.00 H new ATOM 0 HG SER A 101 -10.360 14.320 2.233 1.00 0.00 H new ATOM 1586 N ALA A 102 -10.325 10.100 5.117 1.00 0.00 N ATOM 1587 CA ALA A 102 -9.694 8.931 5.720 1.00 0.00 C ATOM 1588 C ALA A 102 -8.973 8.125 4.662 1.00 0.00 C ATOM 1589 O ALA A 102 -9.408 8.087 3.534 1.00 0.00 O ATOM 1590 CB ALA A 102 -10.743 8.071 6.368 1.00 0.00 C ATOM 0 H ALA A 102 -10.936 9.887 4.329 1.00 0.00 H new ATOM 0 HA ALA A 102 -8.976 9.265 6.469 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -10.271 7.198 6.818 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -11.257 8.644 7.140 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -11.463 7.747 5.616 1.00 0.00 H new ATOM 1596 N THR A 103 -7.893 7.501 5.042 1.00 0.00 N ATOM 1597 CA THR A 103 -7.083 6.748 4.124 1.00 0.00 C ATOM 1598 C THR A 103 -6.901 5.296 4.601 1.00 0.00 C ATOM 1599 O THR A 103 -6.670 5.074 5.797 1.00 0.00 O ATOM 1600 CB THR A 103 -5.726 7.393 3.965 1.00 0.00 C ATOM 1601 OG1 THR A 103 -5.889 8.752 3.548 1.00 0.00 O ATOM 1602 CG2 THR A 103 -4.907 6.657 2.910 1.00 0.00 C ATOM 0 H THR A 103 -7.548 7.500 6.002 1.00 0.00 H new ATOM 0 HA THR A 103 -7.599 6.740 3.164 1.00 0.00 H new ATOM 0 HB THR A 103 -5.208 7.349 4.923 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.009 9.171 3.447 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.932 7.134 2.808 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.773 5.619 3.213 1.00 0.00 H new ATOM 0 HG23 THR A 103 -5.430 6.691 1.954 1.00 0.00 H new ATOM 1610 N CYS A 104 -7.096 4.305 3.693 1.00 0.00 N ATOM 1611 CA CYS A 104 -6.901 2.904 4.091 1.00 0.00 C ATOM 1612 C CYS A 104 -5.379 2.654 4.316 1.00 0.00 C ATOM 1613 O CYS A 104 -4.557 2.859 3.397 1.00 0.00 O ATOM 1614 CB CYS A 104 -7.308 1.877 2.957 1.00 0.00 C ATOM 1615 SG CYS A 104 -9.067 1.733 2.351 1.00 0.00 S ATOM 0 H CYS A 104 -7.376 4.448 2.723 1.00 0.00 H new ATOM 0 HA CYS A 104 -7.518 2.752 4.977 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -6.692 2.106 2.087 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -7.012 0.888 3.306 1.00 0.00 H new ATOM 1620 N ILE A 105 -5.032 2.222 5.512 1.00 0.00 N ATOM 1621 CA ILE A 105 -3.659 1.854 5.871 1.00 0.00 C ATOM 1622 C ILE A 105 -3.670 0.470 6.512 1.00 0.00 C ATOM 1623 O ILE A 105 -4.735 -0.017 6.908 1.00 0.00 O ATOM 1624 CB ILE A 105 -2.960 2.844 6.840 1.00 0.00 C ATOM 1625 CG1 ILE A 105 -3.664 2.880 8.203 1.00 0.00 C ATOM 1626 CG2 ILE A 105 -2.858 4.233 6.223 1.00 0.00 C ATOM 1627 CD1 ILE A 105 -4.875 3.767 8.270 1.00 0.00 C ATOM 0 H ILE A 105 -5.697 2.112 6.278 1.00 0.00 H new ATOM 0 HA ILE A 105 -3.087 1.875 4.943 1.00 0.00 H new ATOM 0 HB ILE A 105 -1.945 2.486 7.010 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -3.961 1.865 8.469 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -2.948 3.210 8.956 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -2.364 4.907 6.923 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.279 4.180 5.301 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -3.858 4.608 6.003 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -5.302 3.725 9.272 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -4.588 4.793 8.041 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.615 3.427 7.546 1.00 0.00 H new ATOM 1639 N ILE A 106 -2.540 -0.179 6.587 1.00 0.00 N ATOM 1640 CA ILE A 106 -2.558 -1.540 7.076 1.00 0.00 C ATOM 1641 C ILE A 106 -2.573 -1.543 8.638 1.00 0.00 C ATOM 1642 O ILE A 106 -1.678 -0.967 9.269 1.00 0.00 O ATOM 1643 CB ILE A 106 -1.251 -2.267 6.720 1.00 0.00 C ATOM 1644 CG1 ILE A 106 -0.880 -2.116 5.232 1.00 0.00 C ATOM 1645 CG2 ILE A 106 -1.443 -3.733 7.049 1.00 0.00 C ATOM 1646 CD1 ILE A 106 -1.865 -2.643 4.250 1.00 0.00 C ATOM 0 H ILE A 106 -1.625 0.190 6.328 1.00 0.00 H new ATOM 0 HA ILE A 106 -3.433 -2.018 6.635 1.00 0.00 H new ATOM 0 HB ILE A 106 -0.435 -1.827 7.293 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -0.723 -1.058 5.024 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.073 -2.619 5.064 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -0.533 -4.282 6.809 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.663 -3.842 8.111 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.272 -4.132 6.464 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.493 -2.479 3.238 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -2.008 -3.711 4.416 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -2.816 -2.125 4.375 1.00 0.00 H new ATOM 1658 N SER A 107 -3.578 -2.180 9.241 1.00 0.00 N ATOM 1659 CA SER A 107 -3.584 -2.436 10.686 1.00 0.00 C ATOM 1660 C SER A 107 -2.417 -3.355 11.017 1.00 0.00 C ATOM 1661 O SER A 107 -1.695 -3.181 12.004 1.00 0.00 O ATOM 1662 CB SER A 107 -4.928 -3.069 11.114 1.00 0.00 C ATOM 1663 OG SER A 107 -4.984 -3.286 12.493 1.00 0.00 O ATOM 0 H SER A 107 -4.401 -2.530 8.751 1.00 0.00 H new ATOM 0 HA SER A 107 -3.474 -1.500 11.233 1.00 0.00 H new ATOM 0 HB2 SER A 107 -5.748 -2.417 10.815 1.00 0.00 H new ATOM 0 HB3 SER A 107 -5.067 -4.015 10.591 1.00 0.00 H new ATOM 0 HG SER A 107 -5.848 -3.685 12.726 1.00 0.00 H new ATOM 1669 N GLY A 108 -2.266 -4.341 10.151 1.00 0.00 N ATOM 1670 CA GLY A 108 -1.271 -5.381 10.285 1.00 0.00 C ATOM 1671 C GLY A 108 -1.747 -6.627 9.552 1.00 0.00 C ATOM 1672 O GLY A 108 -1.192 -7.005 8.512 1.00 0.00 O ATOM 0 H GLY A 108 -2.846 -4.440 9.318 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -0.319 -5.045 9.875 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -1.103 -5.606 11.338 1.00 0.00 H new ATOM 1676 N ASP A 109 -2.760 -7.270 10.093 1.00 0.00 N ATOM 1677 CA ASP A 109 -3.384 -8.437 9.440 1.00 0.00 C ATOM 1678 C ASP A 109 -4.585 -8.010 8.602 1.00 0.00 C ATOM 1679 O ASP A 109 -5.209 -8.836 7.940 1.00 0.00 O ATOM 1680 CB ASP A 109 -3.860 -9.429 10.520 1.00 0.00 C ATOM 1681 CG ASP A 109 -4.732 -8.761 11.594 1.00 0.00 C ATOM 1682 OD1 ASP A 109 -4.297 -7.723 12.160 1.00 0.00 O ATOM 1683 OD2 ASP A 109 -5.830 -9.276 11.860 1.00 0.00 O ATOM 0 H ASP A 109 -3.181 -7.015 10.986 1.00 0.00 H new ATOM 0 HA ASP A 109 -2.646 -8.906 8.789 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -4.425 -10.232 10.047 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -2.992 -9.887 10.995 1.00 0.00 H new ATOM 1688 N THR A 110 -4.895 -6.732 8.644 1.00 0.00 N ATOM 1689 CA THR A 110 -6.032 -6.185 7.941 1.00 0.00 C ATOM 1690 C THR A 110 -5.777 -4.728 7.592 1.00 0.00 C ATOM 1691 O THR A 110 -4.786 -4.146 8.038 1.00 0.00 O ATOM 1692 CB THR A 110 -7.351 -6.379 8.717 1.00 0.00 C ATOM 1693 OG1 THR A 110 -8.467 -6.007 7.896 1.00 0.00 O ATOM 1694 CG2 THR A 110 -7.362 -5.570 9.992 1.00 0.00 C ATOM 0 H THR A 110 -4.361 -6.040 9.170 1.00 0.00 H new ATOM 0 HA THR A 110 -6.154 -6.741 7.011 1.00 0.00 H new ATOM 0 HB THR A 110 -7.431 -7.433 8.982 1.00 0.00 H new ATOM 0 HG1 THR A 110 -9.299 -6.136 8.397 1.00 0.00 H new ATOM 0 HG21 THR A 110 -8.305 -5.729 10.515 1.00 0.00 H new ATOM 0 HG22 THR A 110 -6.536 -5.884 10.630 1.00 0.00 H new ATOM 0 HG23 THR A 110 -7.253 -4.512 9.753 1.00 0.00 H new ATOM 1702 N VAL A 111 -6.658 -4.124 6.811 1.00 0.00 N ATOM 1703 CA VAL A 111 -6.493 -2.727 6.408 1.00 0.00 C ATOM 1704 C VAL A 111 -7.631 -1.881 6.970 1.00 0.00 C ATOM 1705 O VAL A 111 -8.811 -2.234 6.875 1.00 0.00 O ATOM 1706 CB VAL A 111 -6.426 -2.592 4.881 1.00 0.00 C ATOM 1707 CG1 VAL A 111 -5.167 -3.221 4.359 1.00 0.00 C ATOM 1708 CG2 VAL A 111 -7.605 -3.271 4.281 1.00 0.00 C ATOM 0 H VAL A 111 -7.495 -4.574 6.441 1.00 0.00 H new ATOM 0 HA VAL A 111 -5.549 -2.365 6.815 1.00 0.00 H new ATOM 0 HB VAL A 111 -6.428 -1.535 4.614 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -5.132 -3.118 3.274 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -4.302 -2.724 4.799 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -5.151 -4.278 4.624 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -7.564 -3.179 3.196 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -7.597 -4.326 4.557 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -8.519 -2.807 4.650 1.00 0.00 H new ATOM 1718 N ILE A 112 -7.254 -0.790 7.578 1.00 0.00 N ATOM 1719 CA ILE A 112 -8.151 0.103 8.294 1.00 0.00 C ATOM 1720 C ILE A 112 -7.952 1.536 7.846 1.00 0.00 C ATOM 1721 O ILE A 112 -7.028 1.841 7.135 1.00 0.00 O ATOM 1722 CB ILE A 112 -7.999 -0.022 9.814 1.00 0.00 C ATOM 1723 CG1 ILE A 112 -6.566 0.338 10.253 1.00 0.00 C ATOM 1724 CG2 ILE A 112 -8.360 -1.433 10.263 1.00 0.00 C ATOM 1725 CD1 ILE A 112 -6.401 0.408 11.757 1.00 0.00 C ATOM 0 H ILE A 112 -6.283 -0.479 7.595 1.00 0.00 H new ATOM 0 HA ILE A 112 -9.170 -0.198 8.049 1.00 0.00 H new ATOM 0 HB ILE A 112 -8.683 0.681 10.289 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -5.874 -0.402 9.852 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -6.291 1.299 9.819 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -8.248 -1.510 11.345 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -9.392 -1.649 9.988 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -7.698 -2.150 9.778 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -5.370 0.666 11.998 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -7.069 1.168 12.161 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -6.645 -0.560 12.195 1.00 0.00 H new ATOM 1737 N TRP A 113 -8.874 2.385 8.214 1.00 0.00 N ATOM 1738 CA TRP A 113 -8.834 3.792 7.849 1.00 0.00 C ATOM 1739 C TRP A 113 -8.150 4.608 8.952 1.00 0.00 C ATOM 1740 O TRP A 113 -8.228 4.259 10.124 1.00 0.00 O ATOM 1741 CB TRP A 113 -10.274 4.312 7.688 1.00 0.00 C ATOM 1742 CG TRP A 113 -11.000 3.706 6.541 1.00 0.00 C ATOM 1743 CD1 TRP A 113 -11.874 2.691 6.609 1.00 0.00 C ATOM 1744 CD2 TRP A 113 -10.953 4.101 5.162 1.00 0.00 C ATOM 1745 NE1 TRP A 113 -12.327 2.378 5.376 1.00 0.00 N ATOM 1746 CE2 TRP A 113 -11.800 3.237 4.465 1.00 0.00 C ATOM 1747 CE3 TRP A 113 -10.274 5.076 4.448 1.00 0.00 C ATOM 1748 CZ2 TRP A 113 -11.990 3.312 3.089 1.00 0.00 C ATOM 1749 CZ3 TRP A 113 -10.472 5.144 3.076 1.00 0.00 C ATOM 1750 CH2 TRP A 113 -11.317 4.272 2.417 1.00 0.00 C ATOM 0 H TRP A 113 -9.683 2.127 8.779 1.00 0.00 H new ATOM 0 HA TRP A 113 -8.278 3.897 6.917 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -10.828 4.112 8.605 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -10.249 5.394 7.560 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -12.173 2.195 7.520 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -12.967 1.613 5.161 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -9.608 5.765 4.946 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -12.651 2.628 2.577 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -9.951 5.900 2.507 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -11.442 4.359 1.348 1.00 0.00 H new ATOM 1761 N ASP A 114 -7.458 5.664 8.538 1.00 0.00 N ATOM 1762 CA ASP A 114 -6.771 6.605 9.462 1.00 0.00 C ATOM 1763 C ASP A 114 -7.785 7.375 10.297 1.00 0.00 C ATOM 1764 O ASP A 114 -7.448 7.966 11.323 1.00 0.00 O ATOM 1765 CB ASP A 114 -5.918 7.628 8.690 1.00 0.00 C ATOM 1766 CG ASP A 114 -4.668 7.096 8.021 1.00 0.00 C ATOM 1767 OD1 ASP A 114 -3.730 6.690 8.759 1.00 0.00 O ATOM 1768 OD2 ASP A 114 -4.614 7.099 6.773 1.00 0.00 O ATOM 0 H ASP A 114 -7.348 5.906 7.553 1.00 0.00 H new ATOM 0 HA ASP A 114 -6.129 6.003 10.105 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -6.545 8.088 7.926 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -5.625 8.419 9.381 1.00 0.00 H new ATOM 1773 N GLN A 115 -9.036 7.361 9.855 1.00 0.00 N ATOM 1774 CA GLN A 115 -10.112 8.105 10.516 1.00 0.00 C ATOM 1775 C GLN A 115 -10.299 7.611 11.939 1.00 0.00 C ATOM 1776 O GLN A 115 -10.499 6.411 12.187 1.00 0.00 O ATOM 1777 CB GLN A 115 -11.400 7.821 9.764 1.00 0.00 C ATOM 1778 CG GLN A 115 -12.624 8.564 10.253 1.00 0.00 C ATOM 1779 CD GLN A 115 -12.526 10.024 9.984 1.00 0.00 C ATOM 1780 OE1 GLN A 115 -11.982 10.414 8.972 1.00 0.00 O ATOM 1781 NE2 GLN A 115 -13.060 10.850 10.846 1.00 0.00 N ATOM 0 H GLN A 115 -9.337 6.838 9.033 1.00 0.00 H new ATOM 0 HA GLN A 115 -9.865 9.167 10.525 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -11.246 8.064 8.713 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -11.602 6.751 9.818 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -13.512 8.163 9.765 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -12.746 8.399 11.323 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -13.510 10.489 11.687 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -13.027 11.855 10.677 1.00 0.00 H new ATOM 1790 N GLU A 116 -10.255 8.551 12.863 1.00 0.00 N ATOM 1791 CA GLU A 116 -10.492 8.290 14.288 1.00 0.00 C ATOM 1792 C GLU A 116 -11.933 7.854 14.520 1.00 0.00 C ATOM 1793 O GLU A 116 -12.217 6.913 15.247 1.00 0.00 O ATOM 1794 CB GLU A 116 -10.210 9.580 15.064 1.00 0.00 C ATOM 1795 CG GLU A 116 -10.407 9.471 16.565 1.00 0.00 C ATOM 1796 CD GLU A 116 -10.066 10.757 17.307 1.00 0.00 C ATOM 1797 OE1 GLU A 116 -9.385 11.649 16.725 1.00 0.00 O ATOM 1798 OE2 GLU A 116 -10.524 10.917 18.454 1.00 0.00 O ATOM 0 H GLU A 116 -10.053 9.529 12.654 1.00 0.00 H new ATOM 0 HA GLU A 116 -9.836 7.489 14.628 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.184 9.890 14.867 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -10.859 10.368 14.682 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -11.443 9.204 16.771 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -9.786 8.661 16.949 1.00 0.00 H new ATOM 1805 N THR A 117 -12.802 8.549 13.827 1.00 0.00 N ATOM 1806 CA THR A 117 -14.235 8.329 13.810 1.00 0.00 C ATOM 1807 C THR A 117 -14.841 9.600 13.267 1.00 0.00 C ATOM 1808 O THR A 117 -14.269 10.668 13.480 1.00 0.00 O ATOM 1809 CB THR A 117 -14.815 8.023 15.234 1.00 0.00 C ATOM 1810 OG1 THR A 117 -16.117 7.441 15.115 1.00 0.00 O ATOM 1811 CG2 THR A 117 -14.895 9.297 16.077 1.00 0.00 C ATOM 0 H THR A 117 -12.518 9.324 13.228 1.00 0.00 H new ATOM 0 HA THR A 117 -14.471 7.458 13.199 1.00 0.00 H new ATOM 0 HB THR A 117 -14.146 7.321 15.732 1.00 0.00 H new ATOM 0 HG1 THR A 117 -16.473 7.251 16.008 1.00 0.00 H new ATOM 0 HG21 THR A 117 -15.300 9.058 17.060 1.00 0.00 H new ATOM 0 HG22 THR A 117 -13.898 9.722 16.189 1.00 0.00 H new ATOM 0 HG23 THR A 117 -15.544 10.020 15.583 1.00 0.00 H new ATOM 1819 N PRO A 118 -15.881 9.537 12.428 1.00 0.00 N ATOM 1820 CA PRO A 118 -16.482 10.769 11.905 1.00 0.00 C ATOM 1821 C PRO A 118 -17.047 11.609 13.036 1.00 0.00 C ATOM 1822 O PRO A 118 -17.689 11.083 13.959 1.00 0.00 O ATOM 1823 CB PRO A 118 -17.615 10.242 10.989 1.00 0.00 C ATOM 1824 CG PRO A 118 -17.284 8.803 10.741 1.00 0.00 C ATOM 1825 CD PRO A 118 -16.558 8.322 11.963 1.00 0.00 C ATOM 0 HA PRO A 118 -15.772 11.410 11.383 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -18.589 10.345 11.468 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -17.659 10.802 10.055 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -18.189 8.219 10.571 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -16.663 8.694 9.852 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -17.243 7.927 12.713 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -15.850 7.527 11.728 1.00 0.00 H new ATOM 1833 N ILE A 119 -16.876 12.918 12.975 1.00 0.00 N ATOM 1834 CA ILE A 119 -17.481 13.778 13.967 1.00 0.00 C ATOM 1835 C ILE A 119 -18.183 14.884 13.267 1.00 0.00 C ATOM 1836 O ILE A 119 -17.546 15.596 12.540 1.00 0.00 O ATOM 1837 CB ILE A 119 -16.434 14.440 14.860 1.00 0.00 C ATOM 1838 CG1 ILE A 119 -15.565 13.411 15.560 1.00 0.00 C ATOM 1839 CG2 ILE A 119 -17.144 15.283 15.914 1.00 0.00 C ATOM 1840 CD1 ILE A 119 -14.243 13.249 14.904 1.00 0.00 C ATOM 0 H ILE A 119 -16.331 13.399 12.259 1.00 0.00 H new ATOM 0 HA ILE A 119 -18.147 13.163 14.571 1.00 0.00 H new ATOM 0 HB ILE A 119 -15.793 15.059 14.232 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -15.419 13.708 16.598 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -16.082 12.451 15.573 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -16.404 15.760 16.557 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -17.746 16.048 15.423 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -17.790 14.644 16.516 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -13.659 12.502 15.442 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -14.386 12.924 13.873 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -13.713 14.201 14.914 1.00 0.00 H new ATOM 1852 N CYS A 120 -19.413 15.121 13.525 1.00 0.00 N ATOM 1853 CA CYS A 120 -20.040 16.205 12.829 1.00 0.00 C ATOM 1854 C CYS A 120 -20.390 17.258 13.890 1.00 0.00 C ATOM 1855 O CYS A 120 -21.058 16.934 14.863 1.00 0.00 O ATOM 1856 CB CYS A 120 -21.309 15.694 12.090 1.00 0.00 C ATOM 1857 SG CYS A 120 -20.947 14.344 10.835 1.00 0.00 S ATOM 0 H CYS A 120 -19.998 14.608 14.185 1.00 0.00 H new ATOM 0 HA CYS A 120 -19.385 16.636 12.072 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -22.021 15.316 12.824 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -21.788 16.532 11.584 1.00 0.00 H new ATOM 1862 N ASP A 121 -19.961 18.526 13.699 1.00 0.00 N ATOM 1863 CA ASP A 121 -20.202 19.590 14.700 1.00 0.00 C ATOM 1864 C ASP A 121 -21.655 19.818 14.842 1.00 0.00 C ATOM 1865 O ASP A 121 -22.179 20.011 15.930 1.00 0.00 O ATOM 1866 CB ASP A 121 -19.493 20.886 14.305 1.00 0.00 C ATOM 1867 CG ASP A 121 -19.433 21.937 15.432 1.00 0.00 C ATOM 1868 OD1 ASP A 121 -19.541 21.563 16.617 1.00 0.00 O ATOM 1869 OD2 ASP A 121 -19.246 23.138 15.110 1.00 0.00 O ATOM 0 H ASP A 121 -19.452 18.835 12.871 1.00 0.00 H new ATOM 0 HA ASP A 121 -19.794 19.266 15.658 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -18.477 20.650 13.988 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -20.003 21.319 13.445 1.00 0.00 H new ATOM 1874 N ARG A 122 -22.312 19.769 13.676 1.00 0.00 N ATOM 1875 CA ARG A 122 -23.763 19.863 13.522 1.00 0.00 C ATOM 1876 C ARG A 122 -24.403 20.766 14.568 1.00 0.00 C ATOM 1877 O ARG A 122 -24.402 22.009 14.355 1.00 0.00 O ATOM 1878 CB ARG A 122 -24.356 18.450 13.572 1.00 0.00 C ATOM 1879 CG ARG A 122 -24.277 17.750 14.930 1.00 0.00 C ATOM 1880 CD ARG A 122 -24.870 16.347 14.838 1.00 0.00 C ATOM 1881 NE ARG A 122 -24.881 15.613 16.108 1.00 0.00 N ATOM 1882 CZ ARG A 122 -23.883 14.818 16.571 1.00 0.00 C ATOM 1883 NH1 ARG A 122 -22.655 14.933 16.077 1.00 0.00 N ATOM 1884 NH2 ARG A 122 -24.100 13.987 17.581 1.00 0.00 N ATOM 0 H ARG A 122 -21.828 19.659 12.785 1.00 0.00 H new ATOM 0 HA ARG A 122 -23.980 20.322 12.558 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -25.402 18.503 13.271 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -23.843 17.833 12.834 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -23.239 17.693 15.257 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -24.816 18.331 15.678 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -25.892 16.421 14.465 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -24.304 15.773 14.105 1.00 0.00 H new ATOM 0 HE ARG A 122 -25.710 15.708 16.694 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -22.461 15.620 15.348 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -21.907 14.335 16.426 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -25.022 13.942 18.015 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -23.345 13.393 17.924 1.00 0.00 H new