USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 835 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 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 69 ASN : amide:sc= 0.0361 K(o=0.036,f=-3.8!) USER MOD Set 2.1: A 34 MET CE :methyl -116:sc= -5.94! (180deg=-10.5!) USER MOD Set 2.2: A 59 TYR OH : rot 164:sc= -3.32! USER MOD Set 3.1: A 29 SER OG : rot 98:sc= 1.12 USER MOD Set 3.2: A 66 TYR OH : rot 30:sc= 1.06 USER MOD Set 4.1: A 18 ASN : amide:sc= 0.655 K(o=1.3,f=-3.9!) USER MOD Set 4.2: A 21 SER OG : rot -160:sc= 0.622 USER MOD Single : A 15 GLN : amide:sc= -0.0329 X(o=-0.033,f=-0.03) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0.241 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 168:sc= 0.676 (180deg=0.325) USER MOD Single : A 70 THR OG1 : rot -76:sc= 0.311 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0565 USER MOD Single : A 79 GLN : amide:sc= 0.41 X(o=0.41,f=0) USER MOD Single : A 80 TYR OH : rot 158:sc= 0.0703 USER MOD Single : A 81 ASN :FLIP amide:sc= -1.55! C(o=-6.7!,f=-1.6!) USER MOD Single : A 84 SER OG : rot 1:sc= 0.563 USER MOD Single : A 87 THR OG1 : rot -46:sc= 1.3 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= 0.46 K(o=0.46,f=-4.5!) USER MOD Single : A 97 LYS NZ :NH3+ 178:sc= -1.31 (180deg=-1.38) USER MOD Single : A 99 SER OG : rot 34:sc= 0.555 USER MOD Single : A 106 LYS NZ :NH3+ -138:sc= -0.211 (180deg=-0.577) USER MOD Single : A 107 SER OG : rot 180:sc= 0.00112 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot -134:sc= 0.118 USER MOD Single : A 112 SER OG : rot -87:sc= 0.439 USER MOD Single : A 115 LYS NZ :NH3+ -165:sc=-0.00991 (180deg=-0.204) USER MOD Single : A 116 TYR OH : rot 90:sc= -3.88! USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 14 -3.167 -3.852 -9.548 1.00 0.00 N ATOM 2 CA VAL A 14 -4.414 -3.070 -9.609 1.00 0.00 C ATOM 3 C VAL A 14 -4.212 -1.729 -10.330 1.00 0.00 C ATOM 4 O VAL A 14 -3.169 -1.085 -10.232 1.00 0.00 O ATOM 5 CB VAL A 14 -4.934 -2.855 -8.170 1.00 0.00 C ATOM 6 CG1 VAL A 14 -4.096 -1.855 -7.368 1.00 0.00 C ATOM 7 CG2 VAL A 14 -6.412 -2.491 -8.169 1.00 0.00 C ATOM 0 HA VAL A 14 -5.152 -3.624 -10.188 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.823 -3.809 -7.654 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.515 -1.750 -6.367 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.070 -2.215 -7.296 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.106 -0.887 -7.869 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.750 -2.346 -7.143 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -6.560 -1.571 -8.734 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.985 -3.296 -8.629 1.00 0.00 H new ATOM 17 N GLN A 15 -5.202 -1.372 -11.138 1.00 0.00 N ATOM 18 CA GLN A 15 -5.258 -0.043 -11.749 1.00 0.00 C ATOM 19 C GLN A 15 -6.106 0.850 -10.838 1.00 0.00 C ATOM 20 O GLN A 15 -7.315 0.982 -11.010 1.00 0.00 O ATOM 21 CB GLN A 15 -5.820 -0.140 -13.180 1.00 0.00 C ATOM 22 CG GLN A 15 -4.994 -1.069 -14.075 1.00 0.00 C ATOM 23 CD GLN A 15 -3.591 -0.534 -14.369 1.00 0.00 C ATOM 24 OE1 GLN A 15 -3.368 0.189 -15.333 1.00 0.00 O ATOM 25 NE2 GLN A 15 -2.612 -0.871 -13.561 1.00 0.00 N ATOM 0 H GLN A 15 -5.980 -1.983 -11.388 1.00 0.00 H new ATOM 0 HA GLN A 15 -4.264 0.395 -11.843 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.848 -0.500 -13.139 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.848 0.855 -13.624 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -4.911 -2.044 -13.596 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -5.523 -1.220 -15.016 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -2.797 -1.473 -12.759 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -1.666 -0.531 -13.736 1.00 0.00 H new ATOM 34 N ASP A 16 -5.430 1.305 -9.783 1.00 0.00 N ATOM 35 CA ASP A 16 -5.993 2.141 -8.690 1.00 0.00 C ATOM 36 C ASP A 16 -7.086 1.404 -7.906 1.00 0.00 C ATOM 37 O ASP A 16 -8.173 1.115 -8.409 1.00 0.00 O ATOM 38 CB ASP A 16 -6.503 3.485 -9.238 1.00 0.00 C ATOM 39 CG ASP A 16 -5.455 4.331 -9.972 1.00 0.00 C ATOM 40 OD1 ASP A 16 -4.283 3.894 -10.084 1.00 0.00 O ATOM 41 OD2 ASP A 16 -5.821 5.452 -10.378 1.00 0.00 O ATOM 0 H ASP A 16 -4.439 1.102 -9.649 1.00 0.00 H new ATOM 0 HA ASP A 16 -5.186 2.346 -7.986 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -7.331 3.291 -9.919 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -6.902 4.069 -8.409 1.00 0.00 H new ATOM 47 N VAL A 17 -6.720 0.997 -6.689 1.00 0.00 N ATOM 48 CA VAL A 17 -7.694 0.331 -5.808 1.00 0.00 C ATOM 49 C VAL A 17 -8.697 1.383 -5.288 1.00 0.00 C ATOM 50 O VAL A 17 -8.340 2.525 -4.989 1.00 0.00 O ATOM 51 CB VAL A 17 -7.154 -0.429 -4.582 1.00 0.00 C ATOM 52 CG1 VAL A 17 -7.967 -1.713 -4.425 1.00 0.00 C ATOM 53 CG2 VAL A 17 -5.682 -0.826 -4.583 1.00 0.00 C ATOM 0 H VAL A 17 -5.786 1.110 -6.295 1.00 0.00 H new ATOM 0 HA VAL A 17 -8.128 -0.436 -6.449 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.251 0.286 -3.765 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.603 -2.271 -3.562 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -9.018 -1.463 -4.279 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -7.861 -2.323 -5.322 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.447 -1.353 -3.658 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.482 -1.478 -5.433 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.064 0.069 -4.658 1.00 0.00 H new ATOM 63 N ASN A 18 -9.948 0.970 -5.366 1.00 0.00 N ATOM 64 CA ASN A 18 -11.146 1.696 -4.890 1.00 0.00 C ATOM 65 C ASN A 18 -12.076 0.673 -4.204 1.00 0.00 C ATOM 66 O ASN A 18 -11.797 -0.526 -4.249 1.00 0.00 O ATOM 67 CB ASN A 18 -11.834 2.368 -6.087 1.00 0.00 C ATOM 68 CG ASN A 18 -12.215 1.394 -7.214 1.00 0.00 C ATOM 69 OD1 ASN A 18 -12.969 0.445 -7.030 1.00 0.00 O ATOM 70 ND2 ASN A 18 -11.599 1.566 -8.359 1.00 0.00 N ATOM 0 H ASN A 18 -10.186 0.070 -5.784 1.00 0.00 H new ATOM 0 HA ASN A 18 -10.884 2.476 -4.175 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -12.734 2.875 -5.739 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -11.172 3.134 -6.491 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -11.743 0.902 -9.120 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -10.976 2.363 -8.488 1.00 0.00 H new ATOM 77 N ASP A 19 -13.237 1.115 -3.753 1.00 0.00 N ATOM 78 CA ASP A 19 -14.232 0.234 -3.099 1.00 0.00 C ATOM 79 C ASP A 19 -14.617 -1.051 -3.847 1.00 0.00 C ATOM 80 O ASP A 19 -14.402 -2.147 -3.319 1.00 0.00 O ATOM 81 CB ASP A 19 -15.491 1.037 -2.719 1.00 0.00 C ATOM 82 CG ASP A 19 -15.297 1.762 -1.384 1.00 0.00 C ATOM 83 OD1 ASP A 19 -14.783 2.907 -1.423 1.00 0.00 O ATOM 84 OD2 ASP A 19 -15.588 1.146 -0.342 1.00 0.00 O ATOM 0 H ASP A 19 -13.531 2.089 -3.822 1.00 0.00 H new ATOM 0 HA ASP A 19 -13.716 -0.130 -2.210 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -15.714 1.762 -3.502 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -16.348 0.367 -2.652 1.00 0.00 H new ATOM 90 N SER A 20 -15.014 -0.915 -5.116 1.00 0.00 N ATOM 91 CA SER A 20 -15.367 -2.060 -5.978 1.00 0.00 C ATOM 92 C SER A 20 -14.204 -3.049 -6.143 1.00 0.00 C ATOM 93 O SER A 20 -14.323 -4.220 -5.784 1.00 0.00 O ATOM 94 CB SER A 20 -15.792 -1.548 -7.362 1.00 0.00 C ATOM 95 OG SER A 20 -16.803 -0.554 -7.204 1.00 0.00 O ATOM 0 H SER A 20 -15.101 -0.011 -5.580 1.00 0.00 H new ATOM 0 HA SER A 20 -16.187 -2.590 -5.494 1.00 0.00 H new ATOM 0 HB2 SER A 20 -14.933 -1.130 -7.888 1.00 0.00 H new ATOM 0 HB3 SER A 20 -16.167 -2.372 -7.969 1.00 0.00 H new ATOM 0 HG SER A 20 -17.076 -0.223 -8.085 1.00 0.00 H new ATOM 101 N SER A 21 -13.030 -2.516 -6.485 1.00 0.00 N ATOM 102 CA SER A 21 -11.817 -3.333 -6.690 1.00 0.00 C ATOM 103 C SER A 21 -11.175 -3.901 -5.426 1.00 0.00 C ATOM 104 O SER A 21 -10.563 -4.961 -5.493 1.00 0.00 O ATOM 105 CB SER A 21 -10.720 -2.691 -7.518 1.00 0.00 C ATOM 106 OG SER A 21 -10.398 -1.376 -7.054 1.00 0.00 O ATOM 0 H SER A 21 -12.886 -1.516 -6.628 1.00 0.00 H new ATOM 0 HA SER A 21 -12.254 -4.153 -7.260 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.828 -3.316 -7.484 1.00 0.00 H new ATOM 0 HB3 SER A 21 -11.035 -2.641 -8.560 1.00 0.00 H new ATOM 0 HG SER A 21 -9.943 -0.880 -7.766 1.00 0.00 H new ATOM 112 N TRP A 22 -11.356 -3.213 -4.307 1.00 0.00 N ATOM 113 CA TRP A 22 -10.833 -3.645 -2.990 1.00 0.00 C ATOM 114 C TRP A 22 -11.183 -5.111 -2.694 1.00 0.00 C ATOM 115 O TRP A 22 -10.304 -5.935 -2.453 1.00 0.00 O ATOM 116 CB TRP A 22 -11.426 -2.721 -1.944 1.00 0.00 C ATOM 117 CG TRP A 22 -10.802 -2.967 -0.573 1.00 0.00 C ATOM 118 CD1 TRP A 22 -11.315 -3.732 0.377 1.00 0.00 C ATOM 119 CD2 TRP A 22 -9.645 -2.404 -0.087 1.00 0.00 C ATOM 120 NE1 TRP A 22 -10.534 -3.681 1.472 1.00 0.00 N ATOM 121 CE2 TRP A 22 -9.494 -2.896 1.226 1.00 0.00 C ATOM 122 CE3 TRP A 22 -8.662 -1.568 -0.659 1.00 0.00 C ATOM 123 CZ2 TRP A 22 -8.353 -2.583 1.975 1.00 0.00 C ATOM 124 CZ3 TRP A 22 -7.511 -1.280 0.083 1.00 0.00 C ATOM 125 CH2 TRP A 22 -7.355 -1.784 1.392 1.00 0.00 C ATOM 0 H TRP A 22 -11.871 -2.333 -4.273 1.00 0.00 H new ATOM 0 HA TRP A 22 -9.745 -3.585 -2.983 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -11.266 -1.684 -2.238 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -12.504 -2.874 -1.889 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -12.223 -4.310 0.287 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -10.713 -4.168 2.350 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -8.796 -1.159 -1.650 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -8.242 -2.950 2.985 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -6.735 -0.666 -0.350 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -6.460 -1.553 1.951 1.00 0.00 H new ATOM 136 N LYS A 23 -12.433 -5.448 -2.948 1.00 0.00 N ATOM 137 CA LYS A 23 -12.948 -6.810 -2.683 1.00 0.00 C ATOM 138 C LYS A 23 -12.291 -7.887 -3.554 1.00 0.00 C ATOM 139 O LYS A 23 -11.517 -8.684 -3.038 1.00 0.00 O ATOM 140 CB LYS A 23 -14.471 -6.797 -2.823 1.00 0.00 C ATOM 141 CG LYS A 23 -15.004 -5.826 -1.780 1.00 0.00 C ATOM 142 CD LYS A 23 -16.509 -5.687 -1.925 1.00 0.00 C ATOM 143 CE LYS A 23 -17.006 -4.653 -0.918 1.00 0.00 C ATOM 144 NZ LYS A 23 -18.467 -4.582 -1.045 1.00 0.00 N ATOM 0 H LYS A 23 -13.124 -4.808 -3.338 1.00 0.00 H new ATOM 0 HA LYS A 23 -12.681 -7.085 -1.663 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -14.764 -6.485 -3.826 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -14.881 -7.795 -2.667 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -14.758 -6.182 -0.780 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -14.527 -4.853 -1.899 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -16.764 -5.379 -2.939 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -16.995 -6.647 -1.752 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -16.722 -4.937 0.095 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -16.556 -3.680 -1.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -18.841 -3.884 -0.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -18.718 -4.297 -2.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -18.879 -5.515 -0.841 1.00 0.00 H new ATOM 158 N GLU A 24 -12.310 -7.640 -4.856 1.00 0.00 N ATOM 159 CA GLU A 24 -11.738 -8.583 -5.837 1.00 0.00 C ATOM 160 C GLU A 24 -10.200 -8.652 -5.830 1.00 0.00 C ATOM 161 O GLU A 24 -9.648 -9.719 -6.108 1.00 0.00 O ATOM 162 CB GLU A 24 -12.308 -8.324 -7.235 1.00 0.00 C ATOM 163 CG GLU A 24 -12.046 -6.894 -7.705 1.00 0.00 C ATOM 164 CD GLU A 24 -12.726 -6.602 -9.042 1.00 0.00 C ATOM 165 OE1 GLU A 24 -12.253 -7.148 -10.058 1.00 0.00 O ATOM 166 OE2 GLU A 24 -13.732 -5.856 -9.017 1.00 0.00 O ATOM 0 H GLU A 24 -12.712 -6.798 -5.268 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.050 -9.578 -5.520 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -11.865 -9.025 -7.943 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -13.382 -8.513 -7.229 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -12.407 -6.192 -6.953 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -10.972 -6.734 -7.801 1.00 0.00 H new ATOM 174 N PHE A 25 -9.533 -7.543 -5.504 1.00 0.00 N ATOM 175 CA PHE A 25 -8.056 -7.547 -5.451 1.00 0.00 C ATOM 176 C PHE A 25 -7.419 -7.766 -4.076 1.00 0.00 C ATOM 177 O PHE A 25 -6.934 -8.853 -3.792 1.00 0.00 O ATOM 178 CB PHE A 25 -7.471 -6.312 -6.150 1.00 0.00 C ATOM 179 CG PHE A 25 -7.633 -6.413 -7.670 1.00 0.00 C ATOM 180 CD1 PHE A 25 -6.850 -7.345 -8.399 1.00 0.00 C ATOM 181 CD2 PHE A 25 -8.479 -5.496 -8.336 1.00 0.00 C ATOM 182 CE1 PHE A 25 -6.917 -7.348 -9.815 1.00 0.00 C ATOM 183 CE2 PHE A 25 -8.536 -5.489 -9.747 1.00 0.00 C ATOM 184 CZ PHE A 25 -7.752 -6.415 -10.468 1.00 0.00 C ATOM 0 H PHE A 25 -9.970 -6.650 -5.277 1.00 0.00 H new ATOM 0 HA PHE A 25 -7.782 -8.447 -6.002 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.970 -5.414 -5.786 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.415 -6.214 -5.899 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -6.210 -8.044 -7.881 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -9.080 -4.803 -7.767 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -6.336 -8.056 -10.388 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -9.170 -4.786 -10.267 1.00 0.00 H new ATOM 0 HZ PHE A 25 -7.792 -6.410 -11.547 1.00 0.00 H new ATOM 194 N VAL A 26 -7.847 -6.935 -3.142 1.00 0.00 N ATOM 195 CA VAL A 26 -7.246 -6.905 -1.778 1.00 0.00 C ATOM 196 C VAL A 26 -7.796 -8.052 -0.936 1.00 0.00 C ATOM 197 O VAL A 26 -7.058 -8.699 -0.178 1.00 0.00 O ATOM 198 CB VAL A 26 -7.456 -5.535 -1.088 1.00 0.00 C ATOM 199 CG1 VAL A 26 -6.883 -5.494 0.332 1.00 0.00 C ATOM 200 CG2 VAL A 26 -6.771 -4.427 -1.892 1.00 0.00 C ATOM 0 H VAL A 26 -8.604 -6.266 -3.281 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.169 -7.040 -1.877 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.534 -5.384 -1.039 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.059 -4.510 0.767 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.371 -6.253 0.943 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.811 -5.689 0.298 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.926 -3.469 -1.396 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.703 -4.633 -1.958 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.196 -4.390 -2.895 1.00 0.00 H new ATOM 210 N LEU A 27 -9.108 -8.276 -1.043 1.00 0.00 N ATOM 211 CA LEU A 27 -9.720 -9.346 -0.248 1.00 0.00 C ATOM 212 C LEU A 27 -9.691 -10.714 -0.932 1.00 0.00 C ATOM 213 O LEU A 27 -9.698 -11.741 -0.257 1.00 0.00 O ATOM 214 CB LEU A 27 -11.135 -8.982 0.225 1.00 0.00 C ATOM 215 CG LEU A 27 -11.266 -7.587 0.877 1.00 0.00 C ATOM 216 CD1 LEU A 27 -12.644 -7.501 1.541 1.00 0.00 C ATOM 217 CD2 LEU A 27 -10.195 -7.247 1.922 1.00 0.00 C ATOM 0 H LEU A 27 -9.746 -7.756 -1.646 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.090 -9.440 0.636 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.812 -9.033 -0.628 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.467 -9.734 0.941 1.00 0.00 H new ATOM 0 HG LEU A 27 -11.131 -6.862 0.074 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.762 -6.524 2.010 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -13.420 -7.638 0.788 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.732 -8.280 2.299 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -10.377 -6.248 2.318 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -10.236 -7.972 2.735 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.210 -7.279 1.457 1.00 0.00 H new ATOM 229 N GLU A 28 -9.550 -10.711 -2.264 1.00 0.00 N ATOM 230 CA GLU A 28 -9.625 -11.941 -3.071 1.00 0.00 C ATOM 231 C GLU A 28 -8.481 -12.099 -4.102 1.00 0.00 C ATOM 232 O GLU A 28 -8.697 -12.541 -5.228 1.00 0.00 O ATOM 233 CB GLU A 28 -10.996 -11.984 -3.753 1.00 0.00 C ATOM 234 CG GLU A 28 -12.100 -12.347 -2.765 1.00 0.00 C ATOM 235 CD GLU A 28 -13.413 -11.659 -3.146 1.00 0.00 C ATOM 236 OE1 GLU A 28 -14.119 -12.196 -4.018 1.00 0.00 O ATOM 237 OE2 GLU A 28 -13.690 -10.600 -2.524 1.00 0.00 O ATOM 0 H GLU A 28 -9.382 -9.866 -2.810 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.499 -12.787 -2.395 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.211 -11.014 -4.201 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.978 -12.712 -4.564 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.241 -13.428 -2.750 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.806 -12.050 -1.758 1.00 0.00 H new ATOM 245 N SER A 29 -7.246 -12.011 -3.609 1.00 0.00 N ATOM 246 CA SER A 29 -6.073 -12.109 -4.488 1.00 0.00 C ATOM 247 C SER A 29 -5.498 -13.533 -4.590 1.00 0.00 C ATOM 248 O SER A 29 -4.528 -13.755 -5.312 1.00 0.00 O ATOM 249 CB SER A 29 -5.018 -11.154 -3.947 1.00 0.00 C ATOM 250 OG SER A 29 -4.138 -10.805 -5.012 1.00 0.00 O ATOM 0 H SER A 29 -7.029 -11.874 -2.622 1.00 0.00 H new ATOM 0 HA SER A 29 -6.379 -11.845 -5.500 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.490 -10.261 -3.537 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.463 -11.623 -3.135 1.00 0.00 H new ATOM 0 HG SER A 29 -4.404 -9.939 -5.385 1.00 0.00 H new ATOM 256 N GLU A 30 -6.006 -14.394 -3.708 1.00 0.00 N ATOM 257 CA GLU A 30 -5.646 -15.827 -3.499 1.00 0.00 C ATOM 258 C GLU A 30 -4.244 -15.996 -2.879 1.00 0.00 C ATOM 259 O GLU A 30 -3.812 -17.078 -2.470 1.00 0.00 O ATOM 260 CB GLU A 30 -5.795 -16.613 -4.807 1.00 0.00 C ATOM 261 CG GLU A 30 -5.939 -18.109 -4.573 1.00 0.00 C ATOM 262 CD GLU A 30 -6.118 -18.866 -5.887 1.00 0.00 C ATOM 263 OE1 GLU A 30 -5.091 -19.340 -6.425 1.00 0.00 O ATOM 264 OE2 GLU A 30 -7.288 -18.978 -6.321 1.00 0.00 O ATOM 0 H GLU A 30 -6.739 -14.100 -3.062 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.346 -16.242 -2.774 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.667 -16.248 -5.350 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.926 -16.429 -5.439 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.057 -18.484 -4.053 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.795 -18.296 -3.924 1.00 0.00 H new ATOM 272 N VAL A 31 -3.643 -14.839 -2.641 1.00 0.00 N ATOM 273 CA VAL A 31 -2.291 -14.598 -2.121 1.00 0.00 C ATOM 274 C VAL A 31 -2.416 -13.586 -0.966 1.00 0.00 C ATOM 275 O VAL A 31 -3.339 -12.763 -0.993 1.00 0.00 O ATOM 276 CB VAL A 31 -1.399 -14.022 -3.249 1.00 0.00 C ATOM 277 CG1 VAL A 31 -1.295 -14.995 -4.429 1.00 0.00 C ATOM 278 CG2 VAL A 31 -1.849 -12.660 -3.779 1.00 0.00 C ATOM 0 H VAL A 31 -4.128 -13.960 -2.821 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.836 -15.522 -1.765 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.426 -13.881 -2.778 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.662 -14.561 -5.204 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.859 -15.934 -4.089 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.289 -15.182 -4.835 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.169 -12.333 -4.565 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.858 -12.742 -4.183 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.842 -11.933 -2.967 1.00 0.00 H new ATOM 288 N PRO A 32 -1.467 -13.545 -0.016 1.00 0.00 N ATOM 289 CA PRO A 32 -1.395 -12.479 0.993 1.00 0.00 C ATOM 290 C PRO A 32 -1.271 -11.134 0.265 1.00 0.00 C ATOM 291 O PRO A 32 -0.777 -11.060 -0.859 1.00 0.00 O ATOM 292 CB PRO A 32 -0.128 -12.786 1.798 1.00 0.00 C ATOM 293 CG PRO A 32 0.028 -14.290 1.650 1.00 0.00 C ATOM 294 CD PRO A 32 -0.426 -14.568 0.224 1.00 0.00 C ATOM 0 HA PRO A 32 -2.270 -12.429 1.641 1.00 0.00 H new ATOM 0 HB2 PRO A 32 0.737 -12.252 1.405 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -0.235 -12.494 2.843 1.00 0.00 H new ATOM 0 HG2 PRO A 32 1.060 -14.602 1.808 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -0.582 -14.828 2.375 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.398 -14.476 -0.484 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -0.824 -15.577 0.120 1.00 0.00 H new ATOM 302 N VAL A 33 -1.756 -10.068 0.893 1.00 0.00 N ATOM 303 CA VAL A 33 -1.872 -8.751 0.247 1.00 0.00 C ATOM 304 C VAL A 33 -1.156 -7.638 1.045 1.00 0.00 C ATOM 305 O VAL A 33 -1.094 -7.659 2.268 1.00 0.00 O ATOM 306 CB VAL A 33 -3.379 -8.458 0.031 1.00 0.00 C ATOM 307 CG1 VAL A 33 -3.681 -7.032 -0.425 1.00 0.00 C ATOM 308 CG2 VAL A 33 -3.987 -9.428 -0.976 1.00 0.00 C ATOM 0 H VAL A 33 -2.080 -10.085 1.860 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.364 -8.768 -0.717 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.830 -8.588 1.015 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.757 -6.911 -0.553 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.323 -6.327 0.325 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.179 -6.839 -1.373 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.045 -9.200 -1.108 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.472 -9.330 -1.932 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.879 -10.449 -0.609 1.00 0.00 H new ATOM 318 N MET A 34 -0.675 -6.683 0.259 1.00 0.00 N ATOM 319 CA MET A 34 -0.096 -5.415 0.728 1.00 0.00 C ATOM 320 C MET A 34 -0.852 -4.275 0.030 1.00 0.00 C ATOM 321 O MET A 34 -1.003 -4.271 -1.196 1.00 0.00 O ATOM 322 CB MET A 34 1.367 -5.346 0.338 1.00 0.00 C ATOM 323 CG MET A 34 2.014 -4.009 0.715 1.00 0.00 C ATOM 324 SD MET A 34 3.851 -4.068 0.694 1.00 0.00 S ATOM 325 CE MET A 34 4.048 -5.259 1.991 1.00 0.00 C ATOM 0 H MET A 34 -0.674 -6.766 -0.758 1.00 0.00 H new ATOM 0 HA MET A 34 -0.179 -5.337 1.812 1.00 0.00 H new ATOM 0 HB2 MET A 34 1.908 -6.157 0.825 1.00 0.00 H new ATOM 0 HB3 MET A 34 1.461 -5.501 -0.737 1.00 0.00 H new ATOM 0 HG2 MET A 34 1.673 -3.239 0.023 1.00 0.00 H new ATOM 0 HG3 MET A 34 1.677 -3.716 1.709 1.00 0.00 H new ATOM 0 HE1 MET A 34 4.565 -4.798 2.833 1.00 0.00 H new ATOM 0 HE2 MET A 34 3.068 -5.610 2.315 1.00 0.00 H new ATOM 0 HE3 MET A 34 4.633 -6.103 1.624 1.00 0.00 H new ATOM 335 N VAL A 35 -1.255 -3.307 0.828 1.00 0.00 N ATOM 336 CA VAL A 35 -1.894 -2.096 0.301 1.00 0.00 C ATOM 337 C VAL A 35 -1.309 -0.810 0.905 1.00 0.00 C ATOM 338 O VAL A 35 -1.092 -0.739 2.121 1.00 0.00 O ATOM 339 CB VAL A 35 -3.422 -2.205 0.432 1.00 0.00 C ATOM 340 CG1 VAL A 35 -3.883 -2.231 1.887 1.00 0.00 C ATOM 341 CG2 VAL A 35 -4.104 -1.068 -0.345 1.00 0.00 C ATOM 0 H VAL A 35 -1.156 -3.325 1.843 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.668 -2.021 -0.763 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.720 -3.159 -0.003 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.970 -2.309 1.923 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.441 -3.089 2.394 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.568 -1.314 2.385 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.186 -1.156 -0.244 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.780 -0.108 0.056 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.831 -1.132 -1.398 1.00 0.00 H new ATOM 351 N ASP A 36 -1.079 0.177 0.037 1.00 0.00 N ATOM 352 CA ASP A 36 -0.665 1.520 0.471 1.00 0.00 C ATOM 353 C ASP A 36 -1.597 2.602 -0.069 1.00 0.00 C ATOM 354 O ASP A 36 -1.872 2.713 -1.259 1.00 0.00 O ATOM 355 CB ASP A 36 0.796 1.831 0.132 1.00 0.00 C ATOM 356 CG ASP A 36 1.436 2.782 1.162 1.00 0.00 C ATOM 357 OD1 ASP A 36 0.843 3.857 1.414 1.00 0.00 O ATOM 358 OD2 ASP A 36 2.487 2.401 1.711 1.00 0.00 O ATOM 0 H ASP A 36 -1.172 0.075 -0.974 1.00 0.00 H new ATOM 0 HA ASP A 36 -0.742 1.522 1.558 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.365 0.902 0.093 1.00 0.00 H new ATOM 0 HB3 ASP A 36 0.851 2.280 -0.860 1.00 0.00 H new ATOM 364 N PHE A 37 -1.952 3.437 0.892 1.00 0.00 N ATOM 365 CA PHE A 37 -2.909 4.543 0.768 1.00 0.00 C ATOM 366 C PHE A 37 -2.204 5.884 0.546 1.00 0.00 C ATOM 367 O PHE A 37 -1.374 6.308 1.350 1.00 0.00 O ATOM 368 CB PHE A 37 -3.756 4.676 2.042 1.00 0.00 C ATOM 369 CG PHE A 37 -4.705 3.496 2.336 1.00 0.00 C ATOM 370 CD1 PHE A 37 -4.247 2.155 2.336 1.00 0.00 C ATOM 371 CD2 PHE A 37 -6.048 3.798 2.636 1.00 0.00 C ATOM 372 CE1 PHE A 37 -5.147 1.101 2.586 1.00 0.00 C ATOM 373 CE2 PHE A 37 -6.955 2.745 2.898 1.00 0.00 C ATOM 374 CZ PHE A 37 -6.508 1.412 2.856 1.00 0.00 C ATOM 0 H PHE A 37 -1.565 3.365 1.833 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.536 4.309 -0.092 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -3.085 4.800 2.892 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -4.350 5.587 1.969 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.206 1.941 2.144 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -6.382 4.825 2.666 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.810 0.075 2.573 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -7.987 2.964 3.129 1.00 0.00 H new ATOM 0 HZ PHE A 37 -7.211 0.611 3.032 1.00 0.00 H new ATOM 384 N TRP A 38 -2.585 6.523 -0.551 1.00 0.00 N ATOM 385 CA TRP A 38 -2.113 7.870 -0.900 1.00 0.00 C ATOM 386 C TRP A 38 -3.316 8.801 -1.169 1.00 0.00 C ATOM 387 O TRP A 38 -4.393 8.364 -1.580 1.00 0.00 O ATOM 388 CB TRP A 38 -1.159 7.809 -2.101 1.00 0.00 C ATOM 389 CG TRP A 38 -1.880 7.621 -3.426 1.00 0.00 C ATOM 390 CD1 TRP A 38 -2.515 6.523 -3.800 1.00 0.00 C ATOM 391 CD2 TRP A 38 -2.301 8.641 -4.271 1.00 0.00 C ATOM 392 NE1 TRP A 38 -3.302 6.768 -4.846 1.00 0.00 N ATOM 393 CE2 TRP A 38 -3.240 8.062 -5.138 1.00 0.00 C ATOM 394 CE3 TRP A 38 -2.042 10.025 -4.304 1.00 0.00 C ATOM 395 CZ2 TRP A 38 -3.965 8.854 -6.048 1.00 0.00 C ATOM 396 CZ3 TRP A 38 -2.753 10.814 -5.214 1.00 0.00 C ATOM 397 CH2 TRP A 38 -3.704 10.244 -6.098 1.00 0.00 C ATOM 0 H TRP A 38 -3.233 6.126 -1.232 1.00 0.00 H new ATOM 0 HA TRP A 38 -1.554 8.283 -0.060 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -0.574 8.728 -2.140 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -0.455 6.989 -1.957 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -2.410 5.560 -3.323 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.862 6.074 -5.342 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -1.312 10.467 -3.642 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -4.706 8.410 -6.696 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -2.574 11.879 -5.244 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -4.227 10.868 -6.807 1.00 0.00 H new ATOM 408 N ALA A 39 -3.050 10.097 -1.079 1.00 0.00 N ATOM 409 CA ALA A 39 -4.097 11.115 -1.180 1.00 0.00 C ATOM 410 C ALA A 39 -3.659 12.267 -2.100 1.00 0.00 C ATOM 411 O ALA A 39 -2.565 12.788 -1.897 1.00 0.00 O ATOM 412 CB ALA A 39 -4.415 11.607 0.238 1.00 0.00 C ATOM 0 H ALA A 39 -2.113 10.474 -0.935 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.996 10.691 -1.628 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.194 12.368 0.193 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.760 10.770 0.845 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.517 12.033 0.685 1.00 0.00 H new ATOM 418 N PRO A 40 -4.490 12.667 -3.067 1.00 0.00 N ATOM 419 CA PRO A 40 -4.168 13.778 -3.994 1.00 0.00 C ATOM 420 C PRO A 40 -3.847 15.099 -3.289 1.00 0.00 C ATOM 421 O PRO A 40 -3.187 15.983 -3.848 1.00 0.00 O ATOM 422 CB PRO A 40 -5.369 13.888 -4.925 1.00 0.00 C ATOM 423 CG PRO A 40 -6.510 13.232 -4.156 1.00 0.00 C ATOM 424 CD PRO A 40 -5.831 12.125 -3.351 1.00 0.00 C ATOM 0 HA PRO A 40 -3.250 13.564 -4.541 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.595 14.928 -5.160 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.185 13.380 -5.872 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -7.014 13.946 -3.505 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.265 12.828 -4.831 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.376 11.906 -2.433 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -5.775 11.196 -3.918 1.00 0.00 H new ATOM 432 N TRP A 41 -4.434 15.256 -2.109 1.00 0.00 N ATOM 433 CA TRP A 41 -4.172 16.390 -1.192 1.00 0.00 C ATOM 434 C TRP A 41 -2.794 16.396 -0.509 1.00 0.00 C ATOM 435 O TRP A 41 -2.246 17.470 -0.293 1.00 0.00 O ATOM 436 CB TRP A 41 -5.341 16.558 -0.228 1.00 0.00 C ATOM 437 CG TRP A 41 -5.907 15.243 0.318 1.00 0.00 C ATOM 438 CD1 TRP A 41 -7.098 14.758 0.001 1.00 0.00 C ATOM 439 CD2 TRP A 41 -5.497 14.616 1.489 1.00 0.00 C ATOM 440 NE1 TRP A 41 -7.507 13.895 0.935 1.00 0.00 N ATOM 441 CE2 TRP A 41 -6.573 13.791 1.878 1.00 0.00 C ATOM 442 CE3 TRP A 41 -4.309 14.660 2.227 1.00 0.00 C ATOM 443 CZ2 TRP A 41 -6.493 13.031 3.056 1.00 0.00 C ATOM 444 CZ3 TRP A 41 -4.207 13.866 3.389 1.00 0.00 C ATOM 445 CH2 TRP A 41 -5.302 13.093 3.818 1.00 0.00 C ATOM 0 H TRP A 41 -5.119 14.595 -1.744 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.107 17.280 -1.818 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -5.019 17.176 0.610 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -6.139 17.100 -0.735 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.657 15.022 -0.884 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -8.396 13.394 0.927 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -3.488 15.288 1.914 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -7.321 12.414 3.373 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -3.285 13.851 3.951 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -5.232 12.539 4.742 1.00 0.00 H new ATOM 456 N CYS A 42 -2.170 15.228 -0.331 1.00 0.00 N ATOM 457 CA CYS A 42 -0.800 15.177 0.222 1.00 0.00 C ATOM 458 C CYS A 42 0.237 15.288 -0.901 1.00 0.00 C ATOM 459 O CYS A 42 1.099 14.442 -1.134 1.00 0.00 O ATOM 460 CB CYS A 42 -0.596 13.990 1.171 1.00 0.00 C ATOM 461 SG CYS A 42 -1.017 12.306 0.585 1.00 0.00 S ATOM 0 H CYS A 42 -2.575 14.319 -0.554 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.647 16.048 0.859 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.452 13.983 1.469 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -1.182 14.182 2.070 1.00 0.00 H new ATOM 466 N GLY A 43 0.043 16.379 -1.649 1.00 0.00 N ATOM 467 CA GLY A 43 0.814 16.733 -2.865 1.00 0.00 C ATOM 468 C GLY A 43 0.675 15.615 -3.916 1.00 0.00 C ATOM 469 O GLY A 43 -0.444 15.233 -4.252 1.00 0.00 O ATOM 0 H GLY A 43 -0.676 17.068 -1.425 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.452 17.676 -3.274 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.864 16.878 -2.611 1.00 0.00 H new ATOM 473 N PRO A 44 1.796 15.075 -4.405 1.00 0.00 N ATOM 474 CA PRO A 44 1.780 13.939 -5.347 1.00 0.00 C ATOM 475 C PRO A 44 1.291 12.626 -4.713 1.00 0.00 C ATOM 476 O PRO A 44 0.461 11.920 -5.281 1.00 0.00 O ATOM 477 CB PRO A 44 3.228 13.804 -5.837 1.00 0.00 C ATOM 478 CG PRO A 44 3.800 15.202 -5.655 1.00 0.00 C ATOM 479 CD PRO A 44 3.152 15.685 -4.354 1.00 0.00 C ATOM 0 HA PRO A 44 1.075 14.129 -6.157 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.781 13.066 -5.256 1.00 0.00 H new ATOM 0 HB3 PRO A 44 3.271 13.486 -6.879 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.887 15.184 -5.580 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.549 15.851 -6.494 1.00 0.00 H new ATOM 0 HD2 PRO A 44 3.710 15.354 -3.478 1.00 0.00 H new ATOM 0 HD3 PRO A 44 3.103 16.773 -4.308 1.00 0.00 H new ATOM 487 N CYS A 45 1.830 12.355 -3.524 1.00 0.00 N ATOM 488 CA CYS A 45 1.677 11.140 -2.689 1.00 0.00 C ATOM 489 C CYS A 45 1.928 9.739 -3.276 1.00 0.00 C ATOM 490 O CYS A 45 2.475 8.888 -2.575 1.00 0.00 O ATOM 491 CB CYS A 45 0.370 11.165 -1.891 1.00 0.00 C ATOM 492 SG CYS A 45 0.708 11.502 -0.126 1.00 0.00 S ATOM 0 H CYS A 45 2.441 13.034 -3.071 1.00 0.00 H new ATOM 0 HA CYS A 45 2.556 11.251 -2.055 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.295 11.930 -2.293 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -0.145 10.210 -1.993 1.00 0.00 H new ATOM 497 N LYS A 46 1.684 9.595 -4.573 1.00 0.00 N ATOM 498 CA LYS A 46 1.880 8.358 -5.355 1.00 0.00 C ATOM 499 C LYS A 46 3.223 7.639 -5.178 1.00 0.00 C ATOM 500 O LYS A 46 3.307 6.421 -5.322 1.00 0.00 O ATOM 501 CB LYS A 46 1.670 8.667 -6.840 1.00 0.00 C ATOM 502 CG LYS A 46 0.229 8.421 -7.298 1.00 0.00 C ATOM 503 CD LYS A 46 -0.053 6.917 -7.313 1.00 0.00 C ATOM 504 CE LYS A 46 -1.410 6.594 -7.935 1.00 0.00 C ATOM 505 NZ LYS A 46 -1.552 5.133 -7.971 1.00 0.00 N ATOM 0 H LYS A 46 1.329 10.363 -5.142 1.00 0.00 H new ATOM 0 HA LYS A 46 1.141 7.662 -4.959 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.935 9.707 -7.031 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.346 8.051 -7.434 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.468 8.926 -6.628 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.076 8.840 -8.292 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.732 6.407 -7.871 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.021 6.532 -6.294 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.214 7.041 -7.351 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.478 7.009 -8.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.470 4.884 -8.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.786 4.724 -8.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.500 4.755 -7.003 1.00 0.00 H new ATOM 519 N LEU A 47 4.248 8.417 -4.816 1.00 0.00 N ATOM 520 CA LEU A 47 5.622 7.981 -4.497 1.00 0.00 C ATOM 521 C LEU A 47 5.750 6.691 -3.663 1.00 0.00 C ATOM 522 O LEU A 47 6.724 5.946 -3.808 1.00 0.00 O ATOM 523 CB LEU A 47 6.339 9.123 -3.769 1.00 0.00 C ATOM 524 CG LEU A 47 6.528 10.325 -4.698 1.00 0.00 C ATOM 525 CD1 LEU A 47 6.761 11.587 -3.881 1.00 0.00 C ATOM 526 CD2 LEU A 47 7.654 10.077 -5.712 1.00 0.00 C ATOM 0 H LEU A 47 4.140 9.428 -4.731 1.00 0.00 H new ATOM 0 HA LEU A 47 6.077 7.737 -5.457 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.762 9.421 -2.894 1.00 0.00 H new ATOM 0 HB3 LEU A 47 7.309 8.779 -3.410 1.00 0.00 H new ATOM 0 HG LEU A 47 5.615 10.465 -5.277 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.894 12.436 -4.552 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.901 11.766 -3.235 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.655 11.465 -3.269 1.00 0.00 H new ATOM 0 HD21 LEU A 47 7.762 10.950 -6.356 1.00 0.00 H new ATOM 0 HD22 LEU A 47 8.589 9.900 -5.181 1.00 0.00 H new ATOM 0 HD23 LEU A 47 7.411 9.205 -6.320 1.00 0.00 H new ATOM 538 N ILE A 48 4.777 6.455 -2.778 1.00 0.00 N ATOM 539 CA ILE A 48 4.691 5.202 -1.997 1.00 0.00 C ATOM 540 C ILE A 48 4.484 3.928 -2.821 1.00 0.00 C ATOM 541 O ILE A 48 5.079 2.890 -2.509 1.00 0.00 O ATOM 542 CB ILE A 48 3.700 5.288 -0.822 1.00 0.00 C ATOM 543 CG1 ILE A 48 2.339 5.927 -1.150 1.00 0.00 C ATOM 544 CG2 ILE A 48 4.391 5.982 0.347 1.00 0.00 C ATOM 545 CD1 ILE A 48 1.386 5.034 -1.954 1.00 0.00 C ATOM 0 H ILE A 48 4.028 7.118 -2.578 1.00 0.00 H new ATOM 0 HA ILE A 48 5.692 5.103 -1.576 1.00 0.00 H new ATOM 0 HB ILE A 48 3.433 4.265 -0.558 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.851 6.207 -0.217 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.511 6.847 -1.709 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.701 6.051 1.188 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.269 5.408 0.643 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.697 6.984 0.046 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.454 5.569 -2.137 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.848 4.774 -2.906 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.178 4.124 -1.391 1.00 0.00 H new ATOM 557 N ALA A 49 3.789 4.042 -3.944 1.00 0.00 N ATOM 558 CA ALA A 49 3.524 2.897 -4.853 1.00 0.00 C ATOM 559 C ALA A 49 4.771 2.184 -5.393 1.00 0.00 C ATOM 560 O ALA A 49 4.873 0.968 -5.210 1.00 0.00 O ATOM 561 CB ALA A 49 2.488 3.262 -5.932 1.00 0.00 C ATOM 0 H ALA A 49 3.386 4.923 -4.265 1.00 0.00 H new ATOM 0 HA ALA A 49 3.073 2.127 -4.228 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.318 2.402 -6.579 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.551 3.548 -5.455 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.861 4.096 -6.527 1.00 0.00 H new ATOM 567 N PRO A 50 5.794 2.913 -5.868 1.00 0.00 N ATOM 568 CA PRO A 50 7.103 2.358 -6.257 1.00 0.00 C ATOM 569 C PRO A 50 7.789 1.634 -5.096 1.00 0.00 C ATOM 570 O PRO A 50 8.153 0.476 -5.252 1.00 0.00 O ATOM 571 CB PRO A 50 7.945 3.559 -6.677 1.00 0.00 C ATOM 572 CG PRO A 50 6.913 4.538 -7.232 1.00 0.00 C ATOM 573 CD PRO A 50 5.692 4.292 -6.338 1.00 0.00 C ATOM 0 HA PRO A 50 6.984 1.623 -7.053 1.00 0.00 H new ATOM 0 HB2 PRO A 50 8.488 3.984 -5.833 1.00 0.00 H new ATOM 0 HB3 PRO A 50 8.686 3.287 -7.429 1.00 0.00 H new ATOM 0 HG2 PRO A 50 7.259 5.570 -7.168 1.00 0.00 H new ATOM 0 HG3 PRO A 50 6.692 4.341 -8.281 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.679 4.988 -5.499 1.00 0.00 H new ATOM 0 HD3 PRO A 50 4.767 4.445 -6.894 1.00 0.00 H new ATOM 581 N VAL A 51 7.814 2.251 -3.900 1.00 0.00 N ATOM 582 CA VAL A 51 8.400 1.647 -2.690 1.00 0.00 C ATOM 583 C VAL A 51 7.759 0.269 -2.424 1.00 0.00 C ATOM 584 O VAL A 51 8.445 -0.741 -2.486 1.00 0.00 O ATOM 585 CB VAL A 51 8.266 2.649 -1.515 1.00 0.00 C ATOM 586 CG1 VAL A 51 8.486 2.049 -0.122 1.00 0.00 C ATOM 587 CG2 VAL A 51 9.237 3.813 -1.727 1.00 0.00 C ATOM 0 H VAL A 51 7.428 3.183 -3.746 1.00 0.00 H new ATOM 0 HA VAL A 51 9.465 1.454 -2.820 1.00 0.00 H new ATOM 0 HB VAL A 51 7.228 2.982 -1.530 1.00 0.00 H new ATOM 0 HG11 VAL A 51 8.371 2.828 0.632 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.753 1.262 0.055 1.00 0.00 H new ATOM 0 HG13 VAL A 51 9.490 1.630 -0.061 1.00 0.00 H new ATOM 0 HG21 VAL A 51 9.144 4.519 -0.902 1.00 0.00 H new ATOM 0 HG22 VAL A 51 10.258 3.433 -1.766 1.00 0.00 H new ATOM 0 HG23 VAL A 51 9.001 4.317 -2.664 1.00 0.00 H new ATOM 597 N ILE A 52 6.426 0.244 -2.436 1.00 0.00 N ATOM 598 CA ILE A 52 5.614 -0.970 -2.304 1.00 0.00 C ATOM 599 C ILE A 52 5.917 -2.018 -3.403 1.00 0.00 C ATOM 600 O ILE A 52 6.269 -3.148 -3.086 1.00 0.00 O ATOM 601 CB ILE A 52 4.146 -0.461 -2.198 1.00 0.00 C ATOM 602 CG1 ILE A 52 3.710 -0.121 -0.757 1.00 0.00 C ATOM 603 CG2 ILE A 52 3.078 -1.360 -2.837 1.00 0.00 C ATOM 604 CD1 ILE A 52 4.644 0.841 -0.025 1.00 0.00 C ATOM 0 H ILE A 52 5.865 1.089 -2.540 1.00 0.00 H new ATOM 0 HA ILE A 52 5.849 -1.552 -1.413 1.00 0.00 H new ATOM 0 HB ILE A 52 4.193 0.452 -2.791 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.711 0.314 -0.786 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.639 -1.046 -0.184 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.095 -0.908 -2.704 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.285 -1.471 -3.901 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.095 -2.340 -2.360 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.262 1.025 0.979 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.640 0.403 0.040 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.697 1.783 -0.571 1.00 0.00 H new ATOM 616 N ASP A 53 6.051 -1.530 -4.633 1.00 0.00 N ATOM 617 CA ASP A 53 6.424 -2.386 -5.789 1.00 0.00 C ATOM 618 C ASP A 53 7.835 -3.001 -5.716 1.00 0.00 C ATOM 619 O ASP A 53 8.058 -4.143 -6.102 1.00 0.00 O ATOM 620 CB ASP A 53 6.193 -1.648 -7.107 1.00 0.00 C ATOM 621 CG ASP A 53 4.702 -1.548 -7.422 1.00 0.00 C ATOM 622 OD1 ASP A 53 4.231 -0.393 -7.523 1.00 0.00 O ATOM 623 OD2 ASP A 53 4.078 -2.624 -7.568 1.00 0.00 O ATOM 0 H ASP A 53 5.910 -0.548 -4.870 1.00 0.00 H new ATOM 0 HA ASP A 53 5.755 -3.245 -5.741 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.624 -0.649 -7.049 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.705 -2.170 -7.915 1.00 0.00 H new ATOM 629 N GLU A 54 8.735 -2.256 -5.084 1.00 0.00 N ATOM 630 CA GLU A 54 10.108 -2.698 -4.773 1.00 0.00 C ATOM 631 C GLU A 54 10.160 -3.665 -3.594 1.00 0.00 C ATOM 632 O GLU A 54 10.876 -4.664 -3.630 1.00 0.00 O ATOM 633 CB GLU A 54 11.028 -1.545 -4.407 1.00 0.00 C ATOM 634 CG GLU A 54 11.771 -0.933 -5.605 1.00 0.00 C ATOM 635 CD GLU A 54 10.914 0.092 -6.358 1.00 0.00 C ATOM 636 OE1 GLU A 54 10.854 1.236 -5.856 1.00 0.00 O ATOM 637 OE2 GLU A 54 10.332 -0.294 -7.399 1.00 0.00 O ATOM 0 H GLU A 54 8.536 -1.308 -4.763 1.00 0.00 H new ATOM 0 HA GLU A 54 10.441 -3.183 -5.691 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.441 -0.766 -3.920 1.00 0.00 H new ATOM 0 HB3 GLU A 54 11.760 -1.895 -3.679 1.00 0.00 H new ATOM 0 HG2 GLU A 54 12.685 -0.453 -5.256 1.00 0.00 H new ATOM 0 HG3 GLU A 54 12.069 -1.727 -6.289 1.00 0.00 H new ATOM 645 N LEU A 55 9.379 -3.351 -2.553 1.00 0.00 N ATOM 646 CA LEU A 55 9.209 -4.238 -1.394 1.00 0.00 C ATOM 647 C LEU A 55 8.750 -5.648 -1.763 1.00 0.00 C ATOM 648 O LEU A 55 9.262 -6.628 -1.226 1.00 0.00 O ATOM 649 CB LEU A 55 8.152 -3.627 -0.458 1.00 0.00 C ATOM 650 CG LEU A 55 8.612 -2.422 0.362 1.00 0.00 C ATOM 651 CD1 LEU A 55 7.428 -1.892 1.172 1.00 0.00 C ATOM 652 CD2 LEU A 55 9.763 -2.781 1.303 1.00 0.00 C ATOM 0 H LEU A 55 8.850 -2.481 -2.489 1.00 0.00 H new ATOM 0 HA LEU A 55 10.187 -4.326 -0.921 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.291 -3.329 -1.057 1.00 0.00 H new ATOM 0 HB3 LEU A 55 7.810 -4.401 0.228 1.00 0.00 H new ATOM 0 HG LEU A 55 8.976 -1.658 -0.325 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.746 -1.032 1.761 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.629 -1.592 0.494 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.064 -2.674 1.839 1.00 0.00 H new ATOM 0 HD21 LEU A 55 10.060 -1.897 1.868 1.00 0.00 H new ATOM 0 HD22 LEU A 55 9.439 -3.560 1.993 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.611 -3.141 0.720 1.00 0.00 H new ATOM 664 N ALA A 56 8.029 -5.694 -2.881 1.00 0.00 N ATOM 665 CA ALA A 56 7.536 -6.951 -3.466 1.00 0.00 C ATOM 666 C ALA A 56 8.697 -7.929 -3.724 1.00 0.00 C ATOM 667 O ALA A 56 8.953 -8.803 -2.891 1.00 0.00 O ATOM 668 CB ALA A 56 6.765 -6.634 -4.761 1.00 0.00 C ATOM 0 H ALA A 56 7.767 -4.863 -3.412 1.00 0.00 H new ATOM 0 HA ALA A 56 6.860 -7.439 -2.764 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.396 -7.561 -5.201 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.923 -5.981 -4.532 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.429 -6.136 -5.467 1.00 0.00 H new ATOM 674 N LYS A 57 9.586 -7.545 -4.630 1.00 0.00 N ATOM 675 CA LYS A 57 10.758 -8.378 -4.992 1.00 0.00 C ATOM 676 C LYS A 57 11.778 -8.563 -3.853 1.00 0.00 C ATOM 677 O LYS A 57 12.399 -9.619 -3.741 1.00 0.00 O ATOM 678 CB LYS A 57 11.413 -7.860 -6.274 1.00 0.00 C ATOM 679 CG LYS A 57 11.963 -6.440 -6.143 1.00 0.00 C ATOM 680 CD LYS A 57 12.426 -5.919 -7.493 1.00 0.00 C ATOM 681 CE LYS A 57 12.946 -4.498 -7.346 1.00 0.00 C ATOM 682 NZ LYS A 57 13.351 -4.006 -8.669 1.00 0.00 N ATOM 0 H LYS A 57 9.530 -6.662 -5.137 1.00 0.00 H new ATOM 0 HA LYS A 57 10.373 -9.380 -5.179 1.00 0.00 H new ATOM 0 HB2 LYS A 57 12.224 -8.531 -6.556 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.682 -7.886 -7.083 1.00 0.00 H new ATOM 0 HG2 LYS A 57 11.194 -5.782 -5.738 1.00 0.00 H new ATOM 0 HG3 LYS A 57 12.795 -6.430 -5.439 1.00 0.00 H new ATOM 0 HD2 LYS A 57 13.209 -6.563 -7.892 1.00 0.00 H new ATOM 0 HD3 LYS A 57 11.601 -5.942 -8.205 1.00 0.00 H new ATOM 0 HE2 LYS A 57 12.174 -3.855 -6.924 1.00 0.00 H new ATOM 0 HE3 LYS A 57 13.792 -4.474 -6.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 13.709 -3.033 -8.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 14.099 -4.618 -9.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 12.532 -4.018 -9.309 1.00 0.00 H new ATOM 696 N GLU A 58 11.789 -7.603 -2.935 1.00 0.00 N ATOM 697 CA GLU A 58 12.661 -7.581 -1.754 1.00 0.00 C ATOM 698 C GLU A 58 12.479 -8.785 -0.813 1.00 0.00 C ATOM 699 O GLU A 58 13.447 -9.208 -0.177 1.00 0.00 O ATOM 700 CB GLU A 58 12.368 -6.236 -1.086 1.00 0.00 C ATOM 701 CG GLU A 58 13.219 -5.886 0.123 1.00 0.00 C ATOM 702 CD GLU A 58 13.070 -4.412 0.513 1.00 0.00 C ATOM 703 OE1 GLU A 58 12.899 -4.156 1.726 1.00 0.00 O ATOM 704 OE2 GLU A 58 13.130 -3.561 -0.400 1.00 0.00 O ATOM 0 H GLU A 58 11.174 -6.791 -2.989 1.00 0.00 H new ATOM 0 HA GLU A 58 13.709 -7.676 -2.037 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.492 -5.450 -1.831 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.321 -6.226 -0.782 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.932 -6.516 0.965 1.00 0.00 H new ATOM 0 HG3 GLU A 58 14.265 -6.101 -0.094 1.00 0.00 H new ATOM 712 N TYR A 59 11.261 -9.334 -0.738 1.00 0.00 N ATOM 713 CA TYR A 59 10.976 -10.534 0.065 1.00 0.00 C ATOM 714 C TYR A 59 10.334 -11.732 -0.668 1.00 0.00 C ATOM 715 O TYR A 59 9.608 -12.544 -0.092 1.00 0.00 O ATOM 716 CB TYR A 59 10.304 -10.194 1.420 1.00 0.00 C ATOM 717 CG TYR A 59 9.453 -8.933 1.457 1.00 0.00 C ATOM 718 CD1 TYR A 59 8.077 -9.015 1.135 1.00 0.00 C ATOM 719 CD2 TYR A 59 10.050 -7.703 1.817 1.00 0.00 C ATOM 720 CE1 TYR A 59 7.293 -7.855 1.151 1.00 0.00 C ATOM 721 CE2 TYR A 59 9.259 -6.542 1.845 1.00 0.00 C ATOM 722 CZ TYR A 59 7.894 -6.638 1.506 1.00 0.00 C ATOM 723 OH TYR A 59 7.118 -5.533 1.584 1.00 0.00 O ATOM 0 H TYR A 59 10.447 -8.963 -1.229 1.00 0.00 H new ATOM 0 HA TYR A 59 11.969 -10.926 0.286 1.00 0.00 H new ATOM 0 HB2 TYR A 59 9.678 -11.037 1.712 1.00 0.00 H new ATOM 0 HB3 TYR A 59 11.085 -10.101 2.175 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.635 -9.966 0.879 1.00 0.00 H new ATOM 0 HD2 TYR A 59 11.100 -7.656 2.067 1.00 0.00 H new ATOM 0 HE1 TYR A 59 6.245 -7.896 0.895 1.00 0.00 H new ATOM 0 HE2 TYR A 59 9.690 -5.591 2.122 1.00 0.00 H new ATOM 0 HH TYR A 59 7.594 -4.833 2.077 1.00 0.00 H new ATOM 733 N SER A 60 10.820 -11.898 -1.892 1.00 0.00 N ATOM 734 CA SER A 60 10.518 -12.989 -2.872 1.00 0.00 C ATOM 735 C SER A 60 9.089 -13.572 -2.947 1.00 0.00 C ATOM 736 O SER A 60 8.338 -13.193 -3.845 1.00 0.00 O ATOM 737 CB SER A 60 11.575 -14.103 -2.802 1.00 0.00 C ATOM 738 OG SER A 60 11.563 -14.769 -1.534 1.00 0.00 O ATOM 0 H SER A 60 11.490 -11.232 -2.277 1.00 0.00 H new ATOM 0 HA SER A 60 10.570 -12.448 -3.817 1.00 0.00 H new ATOM 0 HB2 SER A 60 11.392 -14.828 -3.595 1.00 0.00 H new ATOM 0 HB3 SER A 60 12.563 -13.678 -2.980 1.00 0.00 H new ATOM 0 HG SER A 60 12.246 -15.471 -1.527 1.00 0.00 H new ATOM 744 N GLY A 61 8.790 -14.593 -2.134 1.00 0.00 N ATOM 745 CA GLY A 61 7.466 -15.274 -2.065 1.00 0.00 C ATOM 746 C GLY A 61 6.659 -14.607 -0.950 1.00 0.00 C ATOM 747 O GLY A 61 6.636 -15.058 0.193 1.00 0.00 O ATOM 0 H GLY A 61 9.471 -14.987 -1.485 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.943 -15.191 -3.018 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.593 -16.337 -1.862 1.00 0.00 H new ATOM 751 N LYS A 62 6.036 -13.510 -1.337 1.00 0.00 N ATOM 752 CA LYS A 62 5.457 -12.530 -0.405 1.00 0.00 C ATOM 753 C LYS A 62 3.935 -12.217 -0.475 1.00 0.00 C ATOM 754 O LYS A 62 3.086 -13.040 -0.148 1.00 0.00 O ATOM 755 CB LYS A 62 6.354 -11.281 -0.473 1.00 0.00 C ATOM 756 CG LYS A 62 6.974 -10.915 -1.841 1.00 0.00 C ATOM 757 CD LYS A 62 5.956 -10.648 -2.964 1.00 0.00 C ATOM 758 CE LYS A 62 6.567 -10.545 -4.354 1.00 0.00 C ATOM 759 NZ LYS A 62 5.490 -10.177 -5.284 1.00 0.00 N ATOM 0 H LYS A 62 5.910 -13.261 -2.318 1.00 0.00 H new ATOM 0 HA LYS A 62 5.460 -13.001 0.578 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.768 -10.428 -0.132 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.168 -11.414 0.239 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.596 -10.029 -1.716 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.633 -11.725 -2.153 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.215 -11.448 -2.964 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.425 -9.722 -2.744 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.360 -9.797 -4.370 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.018 -11.493 -4.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.875 -10.098 -6.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.751 -10.908 -5.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.082 -9.264 -4.998 1.00 0.00 H new ATOM 773 N ILE A 63 3.651 -11.036 -1.006 1.00 0.00 N ATOM 774 CA ILE A 63 2.376 -10.301 -0.970 1.00 0.00 C ATOM 775 C ILE A 63 2.045 -9.638 -2.323 1.00 0.00 C ATOM 776 O ILE A 63 2.933 -9.348 -3.125 1.00 0.00 O ATOM 777 CB ILE A 63 2.448 -9.217 0.137 1.00 0.00 C ATOM 778 CG1 ILE A 63 3.801 -8.495 0.282 1.00 0.00 C ATOM 779 CG2 ILE A 63 2.090 -9.824 1.488 1.00 0.00 C ATOM 780 CD1 ILE A 63 4.213 -7.586 -0.882 1.00 0.00 C ATOM 0 H ILE A 63 4.362 -10.515 -1.519 1.00 0.00 H new ATOM 0 HA ILE A 63 1.582 -11.017 -0.756 1.00 0.00 H new ATOM 0 HB ILE A 63 1.731 -8.462 -0.184 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.773 -7.895 1.192 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.577 -9.247 0.420 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.144 -9.055 2.258 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.079 -10.228 1.449 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.791 -10.624 1.725 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.181 -7.134 -0.666 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.284 -8.175 -1.796 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.467 -6.802 -1.013 1.00 0.00 H new ATOM 792 N ALA A 64 0.756 -9.449 -2.551 1.00 0.00 N ATOM 793 CA ALA A 64 0.244 -8.718 -3.723 1.00 0.00 C ATOM 794 C ALA A 64 0.170 -7.212 -3.425 1.00 0.00 C ATOM 795 O ALA A 64 -0.516 -6.765 -2.500 1.00 0.00 O ATOM 796 CB ALA A 64 -1.133 -9.242 -4.115 1.00 0.00 C ATOM 0 H ALA A 64 0.023 -9.796 -1.932 1.00 0.00 H new ATOM 0 HA ALA A 64 0.930 -8.877 -4.555 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.498 -8.692 -4.982 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.063 -10.302 -4.360 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.824 -9.107 -3.283 1.00 0.00 H new ATOM 802 N VAL A 65 0.994 -6.474 -4.157 1.00 0.00 N ATOM 803 CA VAL A 65 1.189 -5.023 -4.046 1.00 0.00 C ATOM 804 C VAL A 65 0.082 -4.188 -4.711 1.00 0.00 C ATOM 805 O VAL A 65 -0.101 -4.231 -5.926 1.00 0.00 O ATOM 806 CB VAL A 65 2.580 -4.663 -4.583 1.00 0.00 C ATOM 807 CG1 VAL A 65 3.658 -5.084 -3.579 1.00 0.00 C ATOM 808 CG2 VAL A 65 2.907 -5.181 -5.985 1.00 0.00 C ATOM 0 H VAL A 65 1.578 -6.887 -4.884 1.00 0.00 H new ATOM 0 HA VAL A 65 1.122 -4.764 -2.989 1.00 0.00 H new ATOM 0 HB VAL A 65 2.567 -3.579 -4.697 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.641 -4.824 -3.970 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.496 -4.568 -2.633 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.605 -6.161 -3.418 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.913 -4.868 -6.263 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.850 -6.269 -5.993 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.191 -4.775 -6.699 1.00 0.00 H new ATOM 818 N TYR A 66 -0.708 -3.520 -3.869 1.00 0.00 N ATOM 819 CA TYR A 66 -1.837 -2.680 -4.291 1.00 0.00 C ATOM 820 C TYR A 66 -1.744 -1.237 -3.758 1.00 0.00 C ATOM 821 O TYR A 66 -1.343 -0.984 -2.628 1.00 0.00 O ATOM 822 CB TYR A 66 -3.147 -3.333 -3.825 1.00 0.00 C ATOM 823 CG TYR A 66 -3.393 -4.699 -4.470 1.00 0.00 C ATOM 824 CD1 TYR A 66 -3.206 -4.905 -5.855 1.00 0.00 C ATOM 825 CD2 TYR A 66 -3.791 -5.776 -3.644 1.00 0.00 C ATOM 826 CE1 TYR A 66 -3.414 -6.178 -6.421 1.00 0.00 C ATOM 827 CE2 TYR A 66 -4.001 -7.055 -4.194 1.00 0.00 C ATOM 828 CZ TYR A 66 -3.816 -7.238 -5.583 1.00 0.00 C ATOM 829 OH TYR A 66 -4.016 -8.436 -6.179 1.00 0.00 O ATOM 0 H TYR A 66 -0.582 -3.546 -2.857 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.809 -2.610 -5.378 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.125 -3.447 -2.741 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -3.981 -2.671 -4.059 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -2.902 -4.081 -6.484 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.935 -5.616 -2.586 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -3.268 -6.339 -7.479 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -4.298 -7.881 -3.566 1.00 0.00 H new ATOM 0 HH TYR A 66 -3.427 -8.516 -6.958 1.00 0.00 H new ATOM 839 N LYS A 67 -2.229 -0.310 -4.580 1.00 0.00 N ATOM 840 CA LYS A 67 -2.231 1.128 -4.254 1.00 0.00 C ATOM 841 C LYS A 67 -3.609 1.801 -4.323 1.00 0.00 C ATOM 842 O LYS A 67 -4.267 1.901 -5.354 1.00 0.00 O ATOM 843 CB LYS A 67 -1.162 1.929 -5.019 1.00 0.00 C ATOM 844 CG LYS A 67 -0.750 1.406 -6.402 1.00 0.00 C ATOM 845 CD LYS A 67 -1.860 1.374 -7.451 1.00 0.00 C ATOM 846 CE LYS A 67 -1.195 1.536 -8.815 1.00 0.00 C ATOM 847 NZ LYS A 67 -2.202 1.619 -9.883 1.00 0.00 N ATOM 0 H LYS A 67 -2.633 -0.526 -5.491 1.00 0.00 H new ATOM 0 HA LYS A 67 -1.952 1.151 -3.200 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.526 2.950 -5.138 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.268 1.980 -4.397 1.00 0.00 H new ATOM 0 HG2 LYS A 67 0.063 2.026 -6.778 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.354 0.397 -6.286 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.411 0.435 -7.400 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -2.579 2.175 -7.276 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -0.579 2.436 -8.819 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -0.529 0.693 -9.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -1.747 1.930 -10.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -2.634 0.684 -10.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -2.938 2.303 -9.614 1.00 0.00 H new ATOM 861 N LEU A 68 -4.029 2.178 -3.119 1.00 0.00 N ATOM 862 CA LEU A 68 -5.342 2.774 -2.821 1.00 0.00 C ATOM 863 C LEU A 68 -5.367 4.298 -2.995 1.00 0.00 C ATOM 864 O LEU A 68 -4.705 5.056 -2.286 1.00 0.00 O ATOM 865 CB LEU A 68 -5.727 2.361 -1.396 1.00 0.00 C ATOM 866 CG LEU A 68 -7.206 2.549 -0.964 1.00 0.00 C ATOM 867 CD1 LEU A 68 -7.624 3.989 -0.718 1.00 0.00 C ATOM 868 CD2 LEU A 68 -8.179 1.824 -1.884 1.00 0.00 C ATOM 0 H LEU A 68 -3.447 2.076 -2.287 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.072 2.401 -3.539 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.473 1.308 -1.272 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.101 2.924 -0.703 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.259 2.073 0.015 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.672 4.018 -0.421 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.010 4.416 0.075 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.490 4.568 -1.632 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -9.199 1.988 -1.537 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.075 2.208 -2.899 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.961 0.756 -1.876 1.00 0.00 H new ATOM 880 N ASN A 69 -6.172 4.717 -3.966 1.00 0.00 N ATOM 881 CA ASN A 69 -6.514 6.134 -4.178 1.00 0.00 C ATOM 882 C ASN A 69 -7.602 6.499 -3.164 1.00 0.00 C ATOM 883 O ASN A 69 -8.769 6.163 -3.318 1.00 0.00 O ATOM 884 CB ASN A 69 -6.994 6.333 -5.605 1.00 0.00 C ATOM 885 CG ASN A 69 -5.952 6.049 -6.683 1.00 0.00 C ATOM 886 OD1 ASN A 69 -5.100 5.170 -6.610 1.00 0.00 O ATOM 887 ND2 ASN A 69 -6.047 6.784 -7.768 1.00 0.00 N ATOM 0 H ASN A 69 -6.612 4.086 -4.636 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.648 6.780 -4.032 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.856 5.688 -5.775 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -7.338 7.361 -5.716 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.412 6.624 -8.550 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.756 7.515 -7.828 1.00 0.00 H new ATOM 894 N THR A 70 -7.157 7.136 -2.089 1.00 0.00 N ATOM 895 CA THR A 70 -8.035 7.488 -0.953 1.00 0.00 C ATOM 896 C THR A 70 -9.327 8.248 -1.314 1.00 0.00 C ATOM 897 O THR A 70 -10.426 7.841 -0.934 1.00 0.00 O ATOM 898 CB THR A 70 -7.280 8.298 0.089 1.00 0.00 C ATOM 899 OG1 THR A 70 -6.696 9.433 -0.564 1.00 0.00 O ATOM 900 CG2 THR A 70 -6.237 7.442 0.802 1.00 0.00 C ATOM 0 H THR A 70 -6.187 7.427 -1.969 1.00 0.00 H new ATOM 0 HA THR A 70 -8.346 6.519 -0.563 1.00 0.00 H new ATOM 0 HB THR A 70 -7.964 8.645 0.864 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.905 9.149 -1.068 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.713 8.048 1.541 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.730 6.607 1.300 1.00 0.00 H new ATOM 0 HG23 THR A 70 -5.522 7.059 0.074 1.00 0.00 H new ATOM 908 N ASP A 71 -9.171 9.180 -2.245 1.00 0.00 N ATOM 909 CA ASP A 71 -10.292 9.965 -2.812 1.00 0.00 C ATOM 910 C ASP A 71 -11.279 9.090 -3.588 1.00 0.00 C ATOM 911 O ASP A 71 -12.486 9.275 -3.491 1.00 0.00 O ATOM 912 CB ASP A 71 -9.778 11.066 -3.729 1.00 0.00 C ATOM 913 CG ASP A 71 -9.759 12.395 -2.985 1.00 0.00 C ATOM 914 OD1 ASP A 71 -8.978 12.499 -2.013 1.00 0.00 O ATOM 915 OD2 ASP A 71 -10.500 13.292 -3.451 1.00 0.00 O ATOM 0 H ASP A 71 -8.263 9.424 -2.639 1.00 0.00 H new ATOM 0 HA ASP A 71 -10.816 10.406 -1.964 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -8.775 10.821 -4.079 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -10.414 11.142 -4.611 1.00 0.00 H new ATOM 921 N GLU A 72 -10.724 8.104 -4.292 1.00 0.00 N ATOM 922 CA GLU A 72 -11.504 7.146 -5.080 1.00 0.00 C ATOM 923 C GLU A 72 -12.259 6.135 -4.189 1.00 0.00 C ATOM 924 O GLU A 72 -13.198 5.481 -4.647 1.00 0.00 O ATOM 925 CB GLU A 72 -10.522 6.415 -5.997 1.00 0.00 C ATOM 926 CG GLU A 72 -11.120 6.078 -7.353 1.00 0.00 C ATOM 927 CD GLU A 72 -10.037 5.492 -8.259 1.00 0.00 C ATOM 928 OE1 GLU A 72 -10.223 4.321 -8.667 1.00 0.00 O ATOM 929 OE2 GLU A 72 -9.034 6.201 -8.486 1.00 0.00 O ATOM 0 H GLU A 72 -9.717 7.945 -4.333 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.265 7.677 -5.652 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.636 7.034 -6.140 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -10.194 5.496 -5.511 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -11.935 5.364 -7.235 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.544 6.973 -7.808 1.00 0.00 H new ATOM 937 N ALA A 73 -11.802 6.005 -2.943 1.00 0.00 N ATOM 938 CA ALA A 73 -12.414 5.071 -1.974 1.00 0.00 C ATOM 939 C ALA A 73 -12.713 5.689 -0.584 1.00 0.00 C ATOM 940 O ALA A 73 -12.188 5.215 0.430 1.00 0.00 O ATOM 941 CB ALA A 73 -11.521 3.825 -1.904 1.00 0.00 C ATOM 0 H ALA A 73 -11.010 6.531 -2.573 1.00 0.00 H new ATOM 0 HA ALA A 73 -13.408 4.801 -2.329 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.945 3.113 -1.196 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.461 3.364 -2.890 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.522 4.112 -1.576 1.00 0.00 H new ATOM 947 N PRO A 74 -13.720 6.582 -0.504 1.00 0.00 N ATOM 948 CA PRO A 74 -14.162 7.187 0.775 1.00 0.00 C ATOM 949 C PRO A 74 -15.108 6.250 1.573 1.00 0.00 C ATOM 950 O PRO A 74 -16.106 6.665 2.161 1.00 0.00 O ATOM 951 CB PRO A 74 -14.837 8.489 0.348 1.00 0.00 C ATOM 952 CG PRO A 74 -15.484 8.127 -0.985 1.00 0.00 C ATOM 953 CD PRO A 74 -14.475 7.185 -1.633 1.00 0.00 C ATOM 0 HA PRO A 74 -13.336 7.362 1.464 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -15.577 8.817 1.078 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -14.116 9.299 0.239 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -16.450 7.642 -0.843 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -15.658 9.011 -1.599 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -14.976 6.419 -2.225 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -13.810 7.725 -2.307 1.00 0.00 H new ATOM 961 N GLY A 75 -14.722 4.982 1.578 1.00 0.00 N ATOM 962 CA GLY A 75 -15.411 3.869 2.264 1.00 0.00 C ATOM 963 C GLY A 75 -14.377 2.913 2.875 1.00 0.00 C ATOM 964 O GLY A 75 -14.473 2.494 4.028 1.00 0.00 O ATOM 0 H GLY A 75 -13.884 4.675 1.085 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -16.064 4.260 3.044 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -16.044 3.331 1.558 1.00 0.00 H new ATOM 968 N ILE A 76 -13.342 2.643 2.083 1.00 0.00 N ATOM 969 CA ILE A 76 -12.145 1.890 2.510 1.00 0.00 C ATOM 970 C ILE A 76 -11.366 2.649 3.599 1.00 0.00 C ATOM 971 O ILE A 76 -11.228 2.170 4.719 1.00 0.00 O ATOM 972 CB ILE A 76 -11.322 1.602 1.249 1.00 0.00 C ATOM 973 CG1 ILE A 76 -12.094 0.748 0.227 1.00 0.00 C ATOM 974 CG2 ILE A 76 -9.943 1.012 1.541 1.00 0.00 C ATOM 975 CD1 ILE A 76 -12.680 -0.557 0.792 1.00 0.00 C ATOM 0 H ILE A 76 -13.302 2.942 1.109 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.415 0.944 2.979 1.00 0.00 H new ATOM 0 HB ILE A 76 -11.146 2.578 0.796 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -12.906 1.346 -0.186 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -11.427 0.503 -0.599 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -9.417 0.834 0.603 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -9.370 1.710 2.151 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -10.056 0.070 2.078 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -13.206 -1.092 0.001 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -11.874 -1.181 1.178 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -13.376 -0.324 1.598 1.00 0.00 H new ATOM 987 N ALA A 77 -11.019 3.885 3.280 1.00 0.00 N ATOM 988 CA ALA A 77 -10.295 4.772 4.210 1.00 0.00 C ATOM 989 C ALA A 77 -10.978 4.914 5.583 1.00 0.00 C ATOM 990 O ALA A 77 -10.332 4.793 6.619 1.00 0.00 O ATOM 991 CB ALA A 77 -10.091 6.125 3.530 1.00 0.00 C ATOM 0 H ALA A 77 -11.225 4.311 2.376 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.329 4.318 4.432 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.557 6.794 4.204 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.510 5.990 2.617 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.060 6.558 3.282 1.00 0.00 H new ATOM 997 N THR A 78 -12.312 4.948 5.531 1.00 0.00 N ATOM 998 CA THR A 78 -13.237 4.926 6.677 1.00 0.00 C ATOM 999 C THR A 78 -13.053 3.619 7.479 1.00 0.00 C ATOM 1000 O THR A 78 -12.702 3.628 8.651 1.00 0.00 O ATOM 1001 CB THR A 78 -14.644 4.867 6.108 1.00 0.00 C ATOM 1002 OG1 THR A 78 -14.802 5.833 5.064 1.00 0.00 O ATOM 1003 CG2 THR A 78 -15.751 5.000 7.165 1.00 0.00 C ATOM 0 H THR A 78 -12.807 4.994 4.641 1.00 0.00 H new ATOM 0 HA THR A 78 -13.058 5.795 7.310 1.00 0.00 H new ATOM 0 HB THR A 78 -14.763 3.867 5.692 1.00 0.00 H new ATOM 0 HG1 THR A 78 -15.713 5.782 4.706 1.00 0.00 H new ATOM 0 HG21 THR A 78 -16.726 4.948 6.680 1.00 0.00 H new ATOM 0 HG22 THR A 78 -15.662 4.190 7.889 1.00 0.00 H new ATOM 0 HG23 THR A 78 -15.651 5.957 7.678 1.00 0.00 H new ATOM 1011 N GLN A 79 -13.323 2.517 6.787 1.00 0.00 N ATOM 1012 CA GLN A 79 -13.328 1.159 7.339 1.00 0.00 C ATOM 1013 C GLN A 79 -12.016 0.778 8.056 1.00 0.00 C ATOM 1014 O GLN A 79 -12.039 0.050 9.050 1.00 0.00 O ATOM 1015 CB GLN A 79 -13.584 0.159 6.192 1.00 0.00 C ATOM 1016 CG GLN A 79 -13.652 -1.328 6.571 1.00 0.00 C ATOM 1017 CD GLN A 79 -14.801 -1.706 7.526 1.00 0.00 C ATOM 1018 OE1 GLN A 79 -15.851 -2.184 7.128 1.00 0.00 O ATOM 1019 NE2 GLN A 79 -14.583 -1.546 8.814 1.00 0.00 N ATOM 0 H GLN A 79 -13.552 2.541 5.793 1.00 0.00 H new ATOM 0 HA GLN A 79 -14.117 1.123 8.090 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -14.523 0.430 5.709 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -12.796 0.285 5.450 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -13.750 -1.916 5.658 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -12.707 -1.613 7.033 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -13.702 -1.146 9.136 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -15.295 -1.822 9.490 1.00 0.00 H new ATOM 1028 N TYR A 80 -10.918 1.338 7.556 1.00 0.00 N ATOM 1029 CA TYR A 80 -9.569 1.067 8.081 1.00 0.00 C ATOM 1030 C TYR A 80 -9.020 2.219 8.929 1.00 0.00 C ATOM 1031 O TYR A 80 -7.854 2.232 9.323 1.00 0.00 O ATOM 1032 CB TYR A 80 -8.637 0.758 6.897 1.00 0.00 C ATOM 1033 CG TYR A 80 -9.111 -0.497 6.175 1.00 0.00 C ATOM 1034 CD1 TYR A 80 -9.251 -1.710 6.884 1.00 0.00 C ATOM 1035 CD2 TYR A 80 -9.696 -0.330 4.904 1.00 0.00 C ATOM 1036 CE1 TYR A 80 -10.031 -2.738 6.329 1.00 0.00 C ATOM 1037 CE2 TYR A 80 -10.481 -1.345 4.352 1.00 0.00 C ATOM 1038 CZ TYR A 80 -10.634 -2.549 5.069 1.00 0.00 C ATOM 1039 OH TYR A 80 -11.238 -3.606 4.467 1.00 0.00 O ATOM 0 H TYR A 80 -10.931 1.994 6.775 1.00 0.00 H new ATOM 0 HA TYR A 80 -9.625 0.208 8.750 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -8.621 1.601 6.206 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -7.616 0.619 7.253 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -8.765 -1.845 7.839 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -9.537 0.586 4.355 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -10.168 -3.666 6.864 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -10.962 -1.210 3.394 1.00 0.00 H new ATOM 0 HH TYR A 80 -11.893 -3.281 3.815 1.00 0.00 H new ATOM 1049 N ASN A 81 -9.932 3.153 9.229 1.00 0.00 N ATOM 1050 CA ASN A 81 -9.740 4.324 10.091 1.00 0.00 C ATOM 1051 C ASN A 81 -8.311 4.918 10.022 1.00 0.00 C ATOM 1052 O ASN A 81 -7.580 5.097 10.996 1.00 0.00 O ATOM 1053 CB ASN A 81 -10.240 3.792 11.427 1.00 0.00 C ATOM 1054 CG ASN A 81 -10.836 4.946 12.201 1.00 0.00 C ATOM 1055 OD1 ASN A 81 -9.926 5.500 12.929 1.00 0.00 O flip ATOM 1056 ND2 ASN A 81 -11.965 5.380 12.115 1.00 0.00 N flip ATOM 0 H ASN A 81 -10.879 3.108 8.854 1.00 0.00 H new ATOM 0 HA ASN A 81 -10.285 5.223 9.803 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -10.986 3.013 11.271 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -9.421 3.341 11.987 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -12.650 4.906 11.526 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -12.230 6.219 12.632 1.00 0.00 H new ATOM 1063 N ILE A 82 -7.997 5.216 8.759 1.00 0.00 N ATOM 1064 CA ILE A 82 -6.697 5.754 8.327 1.00 0.00 C ATOM 1065 C ILE A 82 -6.675 7.258 8.542 1.00 0.00 C ATOM 1066 O ILE A 82 -7.544 8.027 8.130 1.00 0.00 O ATOM 1067 CB ILE A 82 -6.317 5.243 6.915 1.00 0.00 C ATOM 1068 CG1 ILE A 82 -7.144 5.849 5.791 1.00 0.00 C ATOM 1069 CG2 ILE A 82 -6.362 3.714 6.805 1.00 0.00 C ATOM 1070 CD1 ILE A 82 -6.541 7.198 5.414 1.00 0.00 C ATOM 0 H ILE A 82 -8.652 5.088 7.988 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.886 5.371 8.947 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.288 5.581 6.788 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -7.153 5.184 4.927 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -8.179 5.973 6.108 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -6.087 3.414 5.794 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.661 3.277 7.517 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -7.370 3.363 7.026 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -7.124 7.645 4.609 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.555 7.858 6.281 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.512 7.057 5.082 1.00 0.00 H new ATOM 1082 N ARG A 83 -5.839 7.563 9.515 1.00 0.00 N ATOM 1083 CA ARG A 83 -5.655 8.947 9.994 1.00 0.00 C ATOM 1084 C ARG A 83 -4.407 9.647 9.501 1.00 0.00 C ATOM 1085 O ARG A 83 -4.141 10.808 9.834 1.00 0.00 O ATOM 1086 CB ARG A 83 -5.526 8.954 11.497 1.00 0.00 C ATOM 1087 CG ARG A 83 -6.811 8.444 12.068 1.00 0.00 C ATOM 1088 CD ARG A 83 -6.249 7.839 13.330 1.00 0.00 C ATOM 1089 NE ARG A 83 -7.316 6.955 13.773 1.00 0.00 N ATOM 1090 CZ ARG A 83 -8.239 7.326 14.654 1.00 0.00 C ATOM 1091 NH1 ARG A 83 -8.456 8.596 14.962 1.00 0.00 N ATOM 1092 NH2 ARG A 83 -9.123 6.452 15.058 1.00 0.00 N ATOM 0 H ARG A 83 -5.265 6.875 10.002 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.530 9.471 9.609 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -4.692 8.326 11.812 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -5.321 9.962 11.858 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.535 9.235 12.261 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -7.302 7.712 11.426 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -5.325 7.293 13.139 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -6.020 8.601 14.075 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.357 6.010 13.391 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -7.905 9.330 14.517 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -9.174 8.840 15.644 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -9.099 5.498 14.697 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -9.837 6.724 15.734 1.00 0.00 H new ATOM 1106 N SER A 84 -3.497 8.814 9.021 1.00 0.00 N ATOM 1107 CA SER A 84 -2.228 9.322 8.490 1.00 0.00 C ATOM 1108 C SER A 84 -1.804 8.596 7.224 1.00 0.00 C ATOM 1109 O SER A 84 -1.586 7.386 7.219 1.00 0.00 O ATOM 1110 CB SER A 84 -1.116 9.294 9.532 1.00 0.00 C ATOM 1111 OG SER A 84 -1.459 10.203 10.574 1.00 0.00 O ATOM 0 H SER A 84 -3.603 7.800 8.985 1.00 0.00 H new ATOM 0 HA SER A 84 -2.405 10.365 8.227 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.994 8.287 9.931 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.165 9.575 9.080 1.00 0.00 H new ATOM 0 HG SER A 84 -2.324 10.618 10.374 1.00 0.00 H new ATOM 1117 N ILE A 85 -1.978 9.371 6.170 1.00 0.00 N ATOM 1118 CA ILE A 85 -1.522 9.004 4.820 1.00 0.00 C ATOM 1119 C ILE A 85 -0.064 9.480 4.684 1.00 0.00 C ATOM 1120 O ILE A 85 0.206 10.628 5.037 1.00 0.00 O ATOM 1121 CB ILE A 85 -2.502 9.617 3.793 1.00 0.00 C ATOM 1122 CG1 ILE A 85 -3.806 8.826 3.888 1.00 0.00 C ATOM 1123 CG2 ILE A 85 -1.980 9.560 2.352 1.00 0.00 C ATOM 1124 CD1 ILE A 85 -5.014 9.753 3.757 1.00 0.00 C ATOM 0 H ILE A 85 -2.440 10.279 6.214 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.526 7.930 4.634 1.00 0.00 H new ATOM 0 HB ILE A 85 -2.636 10.673 4.030 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.836 8.070 3.104 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.848 8.299 4.841 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.714 10.006 1.681 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.043 10.112 2.282 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.812 8.522 2.067 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -5.931 9.168 3.828 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.993 10.493 4.557 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -4.981 10.260 2.793 1.00 0.00 H new ATOM 1136 N PRO A 86 0.833 8.615 4.191 1.00 0.00 N ATOM 1137 CA PRO A 86 0.571 7.235 3.705 1.00 0.00 C ATOM 1138 C PRO A 86 0.316 6.200 4.805 1.00 0.00 C ATOM 1139 O PRO A 86 0.734 6.360 5.949 1.00 0.00 O ATOM 1140 CB PRO A 86 1.787 6.822 2.883 1.00 0.00 C ATOM 1141 CG PRO A 86 2.794 7.967 2.987 1.00 0.00 C ATOM 1142 CD PRO A 86 2.252 8.963 4.014 1.00 0.00 C ATOM 0 HA PRO A 86 -0.352 7.256 3.126 1.00 0.00 H new ATOM 0 HB2 PRO A 86 2.215 5.894 3.263 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.510 6.643 1.844 1.00 0.00 H new ATOM 0 HG2 PRO A 86 3.770 7.592 3.294 1.00 0.00 H new ATOM 0 HG3 PRO A 86 2.928 8.449 2.019 1.00 0.00 H new ATOM 0 HD2 PRO A 86 2.794 8.889 4.956 1.00 0.00 H new ATOM 0 HD3 PRO A 86 2.363 9.989 3.662 1.00 0.00 H new ATOM 1150 N THR A 87 -0.510 5.229 4.448 1.00 0.00 N ATOM 1151 CA THR A 87 -0.864 4.095 5.334 1.00 0.00 C ATOM 1152 C THR A 87 -0.626 2.785 4.586 1.00 0.00 C ATOM 1153 O THR A 87 -1.103 2.619 3.465 1.00 0.00 O ATOM 1154 CB THR A 87 -2.352 4.120 5.721 1.00 0.00 C ATOM 1155 OG1 THR A 87 -2.828 5.465 5.844 1.00 0.00 O ATOM 1156 CG2 THR A 87 -2.598 3.337 7.011 1.00 0.00 C ATOM 0 H THR A 87 -0.963 5.191 3.535 1.00 0.00 H new ATOM 0 HA THR A 87 -0.250 4.177 6.231 1.00 0.00 H new ATOM 0 HB THR A 87 -2.912 3.635 4.921 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.189 5.991 6.369 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.658 3.371 7.261 1.00 0.00 H new ATOM 0 HG22 THR A 87 -2.292 2.300 6.871 1.00 0.00 H new ATOM 0 HG23 THR A 87 -2.020 3.780 7.822 1.00 0.00 H new ATOM 1164 N VAL A 88 0.039 1.869 5.258 1.00 0.00 N ATOM 1165 CA VAL A 88 0.345 0.533 4.705 1.00 0.00 C ATOM 1166 C VAL A 88 -0.270 -0.571 5.586 1.00 0.00 C ATOM 1167 O VAL A 88 -0.181 -0.527 6.810 1.00 0.00 O ATOM 1168 CB VAL A 88 1.864 0.437 4.462 1.00 0.00 C ATOM 1169 CG1 VAL A 88 2.675 0.354 5.760 1.00 0.00 C ATOM 1170 CG2 VAL A 88 2.212 -0.690 3.500 1.00 0.00 C ATOM 0 H VAL A 88 0.390 2.013 6.205 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.123 0.379 3.733 1.00 0.00 H new ATOM 0 HB VAL A 88 2.155 1.373 3.986 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.737 0.288 5.522 1.00 0.00 H new ATOM 0 HG12 VAL A 88 2.492 1.245 6.361 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.374 -0.530 6.321 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.292 -0.724 3.355 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.871 -1.639 3.913 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.723 -0.515 2.542 1.00 0.00 H new ATOM 1180 N LEU A 89 -1.040 -1.425 4.931 1.00 0.00 N ATOM 1181 CA LEU A 89 -1.743 -2.541 5.584 1.00 0.00 C ATOM 1182 C LEU A 89 -1.290 -3.895 5.016 1.00 0.00 C ATOM 1183 O LEU A 89 -1.143 -4.058 3.801 1.00 0.00 O ATOM 1184 CB LEU A 89 -3.263 -2.447 5.411 1.00 0.00 C ATOM 1185 CG LEU A 89 -3.966 -1.442 6.338 1.00 0.00 C ATOM 1186 CD1 LEU A 89 -3.802 0.002 5.855 1.00 0.00 C ATOM 1187 CD2 LEU A 89 -5.449 -1.773 6.373 1.00 0.00 C ATOM 0 H LEU A 89 -1.202 -1.372 3.925 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.492 -2.471 6.642 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.479 -2.176 4.377 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.694 -3.434 5.579 1.00 0.00 H new ATOM 0 HG LEU A 89 -3.512 -1.521 7.326 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.315 0.676 6.541 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -2.743 0.256 5.821 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.231 0.103 4.858 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.964 -1.069 7.027 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.862 -1.702 5.367 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.587 -2.786 6.751 1.00 0.00 H new ATOM 1199 N PHE A 90 -1.184 -4.856 5.927 1.00 0.00 N ATOM 1200 CA PHE A 90 -0.779 -6.235 5.590 1.00 0.00 C ATOM 1201 C PHE A 90 -1.896 -7.198 5.971 1.00 0.00 C ATOM 1202 O PHE A 90 -2.489 -7.122 7.049 1.00 0.00 O ATOM 1203 CB PHE A 90 0.540 -6.706 6.223 1.00 0.00 C ATOM 1204 CG PHE A 90 1.593 -5.605 6.218 1.00 0.00 C ATOM 1205 CD1 PHE A 90 2.169 -5.218 4.988 1.00 0.00 C ATOM 1206 CD2 PHE A 90 1.652 -4.760 7.348 1.00 0.00 C ATOM 1207 CE1 PHE A 90 2.748 -3.946 4.864 1.00 0.00 C ATOM 1208 CE2 PHE A 90 2.217 -3.484 7.224 1.00 0.00 C ATOM 1209 CZ PHE A 90 2.760 -3.085 5.988 1.00 0.00 C ATOM 0 H PHE A 90 -1.373 -4.712 6.919 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.599 -6.230 4.515 1.00 0.00 H new ATOM 0 HB2 PHE A 90 0.357 -7.029 7.248 1.00 0.00 H new ATOM 0 HB3 PHE A 90 0.916 -7.572 5.678 1.00 0.00 H new ATOM 0 HD1 PHE A 90 2.164 -5.897 4.148 1.00 0.00 H new ATOM 0 HD2 PHE A 90 1.265 -5.094 8.299 1.00 0.00 H new ATOM 0 HE1 PHE A 90 3.178 -3.628 3.926 1.00 0.00 H new ATOM 0 HE2 PHE A 90 2.236 -2.812 8.069 1.00 0.00 H new ATOM 0 HZ PHE A 90 3.195 -2.101 5.895 1.00 0.00 H new ATOM 1219 N PHE A 91 -2.335 -7.807 4.888 1.00 0.00 N ATOM 1220 CA PHE A 91 -3.430 -8.812 4.804 1.00 0.00 C ATOM 1221 C PHE A 91 -2.848 -10.173 4.448 1.00 0.00 C ATOM 1222 O PHE A 91 -1.978 -10.304 3.588 1.00 0.00 O ATOM 1223 CB PHE A 91 -4.380 -8.387 3.686 1.00 0.00 C ATOM 1224 CG PHE A 91 -5.205 -7.130 3.982 1.00 0.00 C ATOM 1225 CD1 PHE A 91 -4.643 -5.842 3.812 1.00 0.00 C ATOM 1226 CD2 PHE A 91 -6.585 -7.304 4.252 1.00 0.00 C ATOM 1227 CE1 PHE A 91 -5.480 -4.713 3.917 1.00 0.00 C ATOM 1228 CE2 PHE A 91 -7.414 -6.170 4.353 1.00 0.00 C ATOM 1229 CZ PHE A 91 -6.854 -4.894 4.192 1.00 0.00 C ATOM 0 H PHE A 91 -1.925 -7.617 3.974 1.00 0.00 H new ATOM 0 HA PHE A 91 -3.951 -8.874 5.759 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -3.798 -8.217 2.780 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -5.063 -9.211 3.477 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -3.589 -5.726 3.605 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -6.996 -8.295 4.379 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -5.075 -3.720 3.789 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.470 -6.282 4.552 1.00 0.00 H new ATOM 0 HZ PHE A 91 -7.491 -4.026 4.281 1.00 0.00 H new ATOM 1239 N LYS A 92 -3.516 -11.167 4.999 1.00 0.00 N ATOM 1240 CA LYS A 92 -3.355 -12.585 4.618 1.00 0.00 C ATOM 1241 C LYS A 92 -4.608 -12.923 3.812 1.00 0.00 C ATOM 1242 O LYS A 92 -5.599 -13.411 4.359 1.00 0.00 O ATOM 1243 CB LYS A 92 -3.276 -13.481 5.854 1.00 0.00 C ATOM 1244 CG LYS A 92 -2.666 -14.842 5.508 1.00 0.00 C ATOM 1245 CD LYS A 92 -1.158 -14.665 5.307 1.00 0.00 C ATOM 1246 CE LYS A 92 -0.411 -15.988 5.213 1.00 0.00 C ATOM 1247 NZ LYS A 92 1.000 -15.697 4.931 1.00 0.00 N ATOM 0 H LYS A 92 -4.203 -11.025 5.740 1.00 0.00 H new ATOM 0 HA LYS A 92 -2.436 -12.745 4.054 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -2.675 -12.994 6.622 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -4.274 -13.621 6.270 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -2.860 -15.557 6.307 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.124 -15.243 4.604 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -0.983 -14.090 4.398 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -0.753 -14.083 6.135 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -0.506 -16.545 6.145 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -0.836 -16.610 4.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 1.531 -16.588 4.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 1.075 -15.179 4.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 1.395 -15.117 5.699 1.00 0.00 H new ATOM 1261 N ASN A 93 -4.680 -12.223 2.687 1.00 0.00 N ATOM 1262 CA ASN A 93 -5.778 -12.292 1.700 1.00 0.00 C ATOM 1263 C ASN A 93 -7.139 -12.015 2.375 1.00 0.00 C ATOM 1264 O ASN A 93 -7.788 -12.920 2.910 1.00 0.00 O ATOM 1265 CB ASN A 93 -5.748 -13.661 0.991 1.00 0.00 C ATOM 1266 CG ASN A 93 -6.869 -13.779 -0.046 1.00 0.00 C ATOM 1267 OD1 ASN A 93 -6.780 -13.317 -1.167 1.00 0.00 O ATOM 1268 ND2 ASN A 93 -7.997 -14.286 0.395 1.00 0.00 N ATOM 0 H ASN A 93 -3.952 -11.562 2.416 1.00 0.00 H new ATOM 0 HA ASN A 93 -5.639 -11.518 0.945 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -4.783 -13.798 0.503 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -5.848 -14.457 1.729 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -8.821 -14.297 -0.207 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -8.050 -14.668 1.339 1.00 0.00 H new ATOM 1275 N GLY A 94 -7.468 -10.735 2.454 1.00 0.00 N ATOM 1276 CA GLY A 94 -8.691 -10.274 3.157 1.00 0.00 C ATOM 1277 C GLY A 94 -8.597 -10.218 4.691 1.00 0.00 C ATOM 1278 O GLY A 94 -9.148 -9.304 5.298 1.00 0.00 O ATOM 0 H GLY A 94 -6.914 -9.983 2.044 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -8.946 -9.280 2.790 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -9.515 -10.934 2.886 1.00 0.00 H new ATOM 1282 N GLU A 95 -7.661 -10.995 5.236 1.00 0.00 N ATOM 1283 CA GLU A 95 -7.512 -11.186 6.693 1.00 0.00 C ATOM 1284 C GLU A 95 -6.391 -10.268 7.179 1.00 0.00 C ATOM 1285 O GLU A 95 -5.205 -10.538 6.996 1.00 0.00 O ATOM 1286 CB GLU A 95 -7.175 -12.643 7.008 1.00 0.00 C ATOM 1287 CG GLU A 95 -8.302 -13.606 6.617 1.00 0.00 C ATOM 1288 CD GLU A 95 -7.879 -15.082 6.653 1.00 0.00 C ATOM 1289 OE1 GLU A 95 -8.471 -15.830 5.844 1.00 0.00 O ATOM 1290 OE2 GLU A 95 -7.045 -15.448 7.509 1.00 0.00 O ATOM 0 H GLU A 95 -6.979 -11.515 4.684 1.00 0.00 H new ATOM 0 HA GLU A 95 -8.446 -10.941 7.199 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.263 -12.923 6.481 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -6.970 -12.743 8.074 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -9.146 -13.460 7.292 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -8.650 -13.359 5.614 1.00 0.00 H new ATOM 1298 N ARG A 96 -6.822 -9.078 7.590 1.00 0.00 N ATOM 1299 CA ARG A 96 -5.928 -8.003 8.026 1.00 0.00 C ATOM 1300 C ARG A 96 -5.182 -8.303 9.337 1.00 0.00 C ATOM 1301 O ARG A 96 -5.749 -8.793 10.319 1.00 0.00 O ATOM 1302 CB ARG A 96 -6.653 -6.655 8.063 1.00 0.00 C ATOM 1303 CG ARG A 96 -7.962 -6.677 8.857 1.00 0.00 C ATOM 1304 CD ARG A 96 -8.943 -5.667 8.264 1.00 0.00 C ATOM 1305 NE ARG A 96 -9.496 -6.195 7.001 1.00 0.00 N ATOM 1306 CZ ARG A 96 -10.754 -6.096 6.586 1.00 0.00 C ATOM 1307 NH1 ARG A 96 -11.698 -5.532 7.322 1.00 0.00 N ATOM 1308 NH2 ARG A 96 -11.143 -6.680 5.456 1.00 0.00 N ATOM 0 H ARG A 96 -7.810 -8.828 7.631 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.146 -7.939 7.270 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -5.989 -5.908 8.497 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -6.864 -6.339 7.041 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -8.396 -7.677 8.833 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -7.768 -6.439 9.903 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -9.749 -5.470 8.971 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -8.438 -4.718 8.083 1.00 0.00 H new ATOM 0 HE ARG A 96 -8.847 -6.685 6.385 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -11.470 -5.155 8.242 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -12.653 -5.474 6.969 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -10.473 -7.210 4.899 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -12.111 -6.598 5.147 1.00 0.00 H new ATOM 1322 N LYS A 97 -3.904 -7.990 9.262 1.00 0.00 N ATOM 1323 CA LYS A 97 -2.916 -8.352 10.295 1.00 0.00 C ATOM 1324 C LYS A 97 -2.345 -7.146 11.041 1.00 0.00 C ATOM 1325 O LYS A 97 -2.216 -7.156 12.263 1.00 0.00 O ATOM 1326 CB LYS A 97 -1.793 -9.123 9.636 1.00 0.00 C ATOM 1327 CG LYS A 97 -2.328 -10.412 9.031 1.00 0.00 C ATOM 1328 CD LYS A 97 -1.139 -11.008 8.340 1.00 0.00 C ATOM 1329 CE LYS A 97 -1.075 -12.516 8.537 1.00 0.00 C ATOM 1330 NZ LYS A 97 0.246 -12.920 8.053 1.00 0.00 N ATOM 0 H LYS A 97 -3.504 -7.472 8.480 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.430 -8.957 11.042 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.329 -8.513 8.861 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.019 -9.350 10.369 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -2.721 -11.080 9.798 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -3.141 -10.217 8.331 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -1.185 -10.781 7.275 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.227 -10.551 8.724 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.206 -12.780 9.586 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.867 -13.018 7.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 0.368 -13.943 8.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 0.329 -12.695 7.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 0.981 -12.409 8.582 1.00 0.00 H new ATOM 1344 N GLU A 98 -1.869 -6.178 10.259 1.00 0.00 N ATOM 1345 CA GLU A 98 -1.275 -4.930 10.790 1.00 0.00 C ATOM 1346 C GLU A 98 -1.546 -3.753 9.867 1.00 0.00 C ATOM 1347 O GLU A 98 -1.700 -3.902 8.650 1.00 0.00 O ATOM 1348 CB GLU A 98 0.236 -5.105 10.960 1.00 0.00 C ATOM 1349 CG GLU A 98 0.766 -4.343 12.171 1.00 0.00 C ATOM 1350 CD GLU A 98 2.214 -4.729 12.497 1.00 0.00 C ATOM 1351 OE1 GLU A 98 3.109 -4.287 11.746 1.00 0.00 O ATOM 1352 OE2 GLU A 98 2.385 -5.379 13.550 1.00 0.00 O ATOM 0 H GLU A 98 -1.879 -6.227 9.240 1.00 0.00 H new ATOM 0 HA GLU A 98 -1.736 -4.723 11.756 1.00 0.00 H new ATOM 0 HB2 GLU A 98 0.469 -6.164 11.068 1.00 0.00 H new ATOM 0 HB3 GLU A 98 0.745 -4.757 10.061 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.710 -3.271 11.979 1.00 0.00 H new ATOM 0 HG3 GLU A 98 0.132 -4.546 13.034 1.00 0.00 H new ATOM 1360 N SER A 99 -1.578 -2.584 10.508 1.00 0.00 N ATOM 1361 CA SER A 99 -1.820 -1.288 9.855 1.00 0.00 C ATOM 1362 C SER A 99 -0.838 -0.225 10.388 1.00 0.00 C ATOM 1363 O SER A 99 -0.846 0.116 11.573 1.00 0.00 O ATOM 1364 CB SER A 99 -3.247 -0.799 10.130 1.00 0.00 C ATOM 1365 OG SER A 99 -3.472 -0.702 11.547 1.00 0.00 O ATOM 0 H SER A 99 -1.434 -2.505 11.515 1.00 0.00 H new ATOM 0 HA SER A 99 -1.677 -1.429 8.784 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.403 0.173 9.662 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.967 -1.486 9.686 1.00 0.00 H new ATOM 0 HG SER A 99 -2.643 -0.428 11.992 1.00 0.00 H new ATOM 1371 N ILE A 100 0.030 0.233 9.493 1.00 0.00 N ATOM 1372 CA ILE A 100 1.030 1.275 9.806 1.00 0.00 C ATOM 1373 C ILE A 100 0.657 2.591 9.103 1.00 0.00 C ATOM 1374 O ILE A 100 0.662 2.693 7.877 1.00 0.00 O ATOM 1375 CB ILE A 100 2.468 0.795 9.487 1.00 0.00 C ATOM 1376 CG1 ILE A 100 2.966 -0.245 10.498 1.00 0.00 C ATOM 1377 CG2 ILE A 100 3.500 1.929 9.424 1.00 0.00 C ATOM 1378 CD1 ILE A 100 2.433 -1.646 10.216 1.00 0.00 C ATOM 0 H ILE A 100 0.069 -0.100 8.530 1.00 0.00 H new ATOM 0 HA ILE A 100 1.019 1.470 10.878 1.00 0.00 H new ATOM 0 HB ILE A 100 2.385 0.349 8.496 1.00 0.00 H new ATOM 0 HG12 ILE A 100 4.056 -0.266 10.484 1.00 0.00 H new ATOM 0 HG13 ILE A 100 2.666 0.058 11.501 1.00 0.00 H new ATOM 0 HG21 ILE A 100 4.482 1.515 9.196 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.216 2.637 8.646 1.00 0.00 H new ATOM 0 HG23 ILE A 100 3.536 2.442 10.385 1.00 0.00 H new ATOM 0 HD11 ILE A 100 2.819 -2.339 10.963 1.00 0.00 H new ATOM 0 HD12 ILE A 100 1.344 -1.636 10.258 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.755 -1.965 9.225 1.00 0.00 H new ATOM 1390 N ILE A 101 0.149 3.474 9.948 1.00 0.00 N ATOM 1391 CA ILE A 101 -0.141 4.880 9.627 1.00 0.00 C ATOM 1392 C ILE A 101 1.169 5.694 9.699 1.00 0.00 C ATOM 1393 O ILE A 101 2.027 5.405 10.535 1.00 0.00 O ATOM 1394 CB ILE A 101 -1.246 5.430 10.549 1.00 0.00 C ATOM 1395 CG1 ILE A 101 -1.532 4.667 11.854 1.00 0.00 C ATOM 1396 CG2 ILE A 101 -2.561 5.576 9.777 1.00 0.00 C ATOM 1397 CD1 ILE A 101 -0.742 5.212 13.043 1.00 0.00 C ATOM 0 H ILE A 101 -0.084 3.233 10.911 1.00 0.00 H new ATOM 0 HA ILE A 101 -0.527 4.964 8.611 1.00 0.00 H new ATOM 0 HB ILE A 101 -0.833 6.386 10.870 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.598 4.722 12.076 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -1.289 3.614 11.714 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -3.332 5.966 10.442 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -2.419 6.264 8.943 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -2.869 4.602 9.396 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -0.984 4.635 13.936 1.00 0.00 H new ATOM 0 HD12 ILE A 101 0.326 5.132 12.838 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -1.003 6.258 13.205 1.00 0.00 H new ATOM 1409 N GLY A 102 1.352 6.573 8.717 1.00 0.00 N ATOM 1410 CA GLY A 102 2.574 7.380 8.545 1.00 0.00 C ATOM 1411 C GLY A 102 3.701 6.555 7.888 1.00 0.00 C ATOM 1412 O GLY A 102 4.874 6.637 8.269 1.00 0.00 O ATOM 0 H GLY A 102 0.647 6.753 8.002 1.00 0.00 H new ATOM 0 HA2 GLY A 102 2.353 8.253 7.930 1.00 0.00 H new ATOM 0 HA3 GLY A 102 2.908 7.749 9.514 1.00 0.00 H new ATOM 1416 N ALA A 103 3.322 5.881 6.807 1.00 0.00 N ATOM 1417 CA ALA A 103 4.164 4.919 6.068 1.00 0.00 C ATOM 1418 C ALA A 103 5.213 5.559 5.137 1.00 0.00 C ATOM 1419 O ALA A 103 5.115 5.575 3.908 1.00 0.00 O ATOM 1420 CB ALA A 103 3.232 3.963 5.319 1.00 0.00 C ATOM 0 H ALA A 103 2.392 5.986 6.400 1.00 0.00 H new ATOM 0 HA ALA A 103 4.773 4.379 6.792 1.00 0.00 H new ATOM 0 HB1 ALA A 103 3.826 3.238 4.762 1.00 0.00 H new ATOM 0 HB2 ALA A 103 2.597 3.439 6.034 1.00 0.00 H new ATOM 0 HB3 ALA A 103 2.609 4.530 4.627 1.00 0.00 H new ATOM 1426 N VAL A 104 6.244 6.094 5.791 1.00 0.00 N ATOM 1427 CA VAL A 104 7.403 6.712 5.121 1.00 0.00 C ATOM 1428 C VAL A 104 8.693 5.851 5.159 1.00 0.00 C ATOM 1429 O VAL A 104 9.241 5.625 4.081 1.00 0.00 O ATOM 1430 CB VAL A 104 7.593 8.195 5.566 1.00 0.00 C ATOM 1431 CG1 VAL A 104 8.875 8.841 5.035 1.00 0.00 C ATOM 1432 CG2 VAL A 104 6.393 9.043 5.134 1.00 0.00 C ATOM 0 H VAL A 104 6.305 6.114 6.809 1.00 0.00 H new ATOM 0 HA VAL A 104 7.170 6.745 4.057 1.00 0.00 H new ATOM 0 HB VAL A 104 7.674 8.165 6.653 1.00 0.00 H new ATOM 0 HG11 VAL A 104 8.936 9.871 5.387 1.00 0.00 H new ATOM 0 HG12 VAL A 104 9.740 8.283 5.394 1.00 0.00 H new ATOM 0 HG13 VAL A 104 8.864 8.830 3.945 1.00 0.00 H new ATOM 0 HG21 VAL A 104 6.543 10.075 5.453 1.00 0.00 H new ATOM 0 HG22 VAL A 104 6.295 9.009 4.049 1.00 0.00 H new ATOM 0 HG23 VAL A 104 5.486 8.650 5.592 1.00 0.00 H new ATOM 1442 N PRO A 105 9.195 5.358 6.312 1.00 0.00 N ATOM 1443 CA PRO A 105 10.426 4.556 6.340 1.00 0.00 C ATOM 1444 C PRO A 105 10.152 3.167 5.740 1.00 0.00 C ATOM 1445 O PRO A 105 9.517 2.313 6.360 1.00 0.00 O ATOM 1446 CB PRO A 105 10.836 4.413 7.809 1.00 0.00 C ATOM 1447 CG PRO A 105 9.956 5.405 8.555 1.00 0.00 C ATOM 1448 CD PRO A 105 8.708 5.543 7.683 1.00 0.00 C ATOM 0 HA PRO A 105 11.216 5.032 5.759 1.00 0.00 H new ATOM 0 HB2 PRO A 105 10.677 3.396 8.167 1.00 0.00 H new ATOM 0 HB3 PRO A 105 11.893 4.639 7.949 1.00 0.00 H new ATOM 0 HG2 PRO A 105 9.705 5.042 9.552 1.00 0.00 H new ATOM 0 HG3 PRO A 105 10.459 6.364 8.682 1.00 0.00 H new ATOM 0 HD2 PRO A 105 7.958 4.795 7.942 1.00 0.00 H new ATOM 0 HD3 PRO A 105 8.241 6.520 7.810 1.00 0.00 H new ATOM 1456 N LYS A 106 10.695 3.006 4.542 1.00 0.00 N ATOM 1457 CA LYS A 106 10.656 1.745 3.752 1.00 0.00 C ATOM 1458 C LYS A 106 10.977 0.517 4.620 1.00 0.00 C ATOM 1459 O LYS A 106 10.125 -0.347 4.792 1.00 0.00 O ATOM 1460 CB LYS A 106 11.617 1.901 2.569 1.00 0.00 C ATOM 1461 CG LYS A 106 11.638 0.669 1.654 1.00 0.00 C ATOM 1462 CD LYS A 106 12.382 1.022 0.381 1.00 0.00 C ATOM 1463 CE LYS A 106 12.737 -0.195 -0.482 1.00 0.00 C ATOM 1464 NZ LYS A 106 11.536 -0.867 -0.998 1.00 0.00 N ATOM 0 H LYS A 106 11.192 3.758 4.064 1.00 0.00 H new ATOM 0 HA LYS A 106 9.649 1.569 3.375 1.00 0.00 H new ATOM 0 HB2 LYS A 106 11.330 2.776 1.986 1.00 0.00 H new ATOM 0 HB3 LYS A 106 12.623 2.085 2.946 1.00 0.00 H new ATOM 0 HG2 LYS A 106 12.125 -0.167 2.157 1.00 0.00 H new ATOM 0 HG3 LYS A 106 10.621 0.353 1.422 1.00 0.00 H new ATOM 0 HD2 LYS A 106 11.773 1.708 -0.207 1.00 0.00 H new ATOM 0 HD3 LYS A 106 13.298 1.552 0.641 1.00 0.00 H new ATOM 0 HE2 LYS A 106 13.363 0.121 -1.316 1.00 0.00 H new ATOM 0 HE3 LYS A 106 13.323 -0.900 0.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 11.657 -1.897 -0.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 10.708 -0.576 -0.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 11.392 -0.604 -1.994 1.00 0.00 H new ATOM 1478 N SER A 107 12.049 0.638 5.402 1.00 0.00 N ATOM 1479 CA SER A 107 12.547 -0.420 6.315 1.00 0.00 C ATOM 1480 C SER A 107 11.544 -0.874 7.393 1.00 0.00 C ATOM 1481 O SER A 107 11.380 -2.077 7.620 1.00 0.00 O ATOM 1482 CB SER A 107 13.829 0.077 6.994 1.00 0.00 C ATOM 1483 OG SER A 107 13.580 1.372 7.545 1.00 0.00 O ATOM 0 H SER A 107 12.615 1.486 5.428 1.00 0.00 H new ATOM 0 HA SER A 107 12.725 -1.297 5.693 1.00 0.00 H new ATOM 0 HB2 SER A 107 14.135 -0.616 7.778 1.00 0.00 H new ATOM 0 HB3 SER A 107 14.645 0.123 6.273 1.00 0.00 H new ATOM 0 HG SER A 107 14.391 1.702 7.984 1.00 0.00 H new ATOM 1489 N THR A 108 10.898 0.077 8.045 1.00 0.00 N ATOM 1490 CA THR A 108 9.825 -0.204 9.033 1.00 0.00 C ATOM 1491 C THR A 108 8.638 -0.961 8.454 1.00 0.00 C ATOM 1492 O THR A 108 8.270 -2.016 8.954 1.00 0.00 O ATOM 1493 CB THR A 108 9.432 1.173 9.628 1.00 0.00 C ATOM 1494 OG1 THR A 108 10.563 1.706 10.310 1.00 0.00 O ATOM 1495 CG2 THR A 108 8.184 1.151 10.526 1.00 0.00 C ATOM 0 H THR A 108 11.089 1.071 7.917 1.00 0.00 H new ATOM 0 HA THR A 108 10.188 -0.881 9.806 1.00 0.00 H new ATOM 0 HB THR A 108 9.144 1.818 8.798 1.00 0.00 H new ATOM 0 HG1 THR A 108 10.333 2.579 10.692 1.00 0.00 H new ATOM 0 HG21 THR A 108 7.985 2.156 10.897 1.00 0.00 H new ATOM 0 HG22 THR A 108 7.328 0.800 9.950 1.00 0.00 H new ATOM 0 HG23 THR A 108 8.354 0.480 11.368 1.00 0.00 H new ATOM 1503 N LEU A 109 8.313 -0.569 7.230 1.00 0.00 N ATOM 1504 CA LEU A 109 7.239 -1.197 6.437 1.00 0.00 C ATOM 1505 C LEU A 109 7.648 -2.652 6.154 1.00 0.00 C ATOM 1506 O LEU A 109 6.967 -3.550 6.626 1.00 0.00 O ATOM 1507 CB LEU A 109 6.932 -0.484 5.108 1.00 0.00 C ATOM 1508 CG LEU A 109 6.849 1.046 5.181 1.00 0.00 C ATOM 1509 CD1 LEU A 109 6.411 1.614 3.833 1.00 0.00 C ATOM 1510 CD2 LEU A 109 5.948 1.573 6.306 1.00 0.00 C ATOM 0 H LEU A 109 8.783 0.197 6.747 1.00 0.00 H new ATOM 0 HA LEU A 109 6.323 -1.131 7.025 1.00 0.00 H new ATOM 0 HB2 LEU A 109 7.702 -0.754 4.385 1.00 0.00 H new ATOM 0 HB3 LEU A 109 5.986 -0.863 4.723 1.00 0.00 H new ATOM 0 HG LEU A 109 7.854 1.392 5.423 1.00 0.00 H new ATOM 0 HD11 LEU A 109 6.356 2.701 3.897 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.134 1.332 3.067 1.00 0.00 H new ATOM 0 HD13 LEU A 109 5.431 1.215 3.571 1.00 0.00 H new ATOM 0 HD21 LEU A 109 5.944 2.663 6.289 1.00 0.00 H new ATOM 0 HD22 LEU A 109 4.933 1.204 6.162 1.00 0.00 H new ATOM 0 HD23 LEU A 109 6.327 1.227 7.268 1.00 0.00 H new ATOM 1522 N THR A 110 8.906 -2.820 5.743 1.00 0.00 N ATOM 1523 CA THR A 110 9.503 -4.137 5.441 1.00 0.00 C ATOM 1524 C THR A 110 9.439 -5.104 6.633 1.00 0.00 C ATOM 1525 O THR A 110 9.014 -6.261 6.536 1.00 0.00 O ATOM 1526 CB THR A 110 10.960 -4.038 4.994 1.00 0.00 C ATOM 1527 OG1 THR A 110 11.156 -2.937 4.099 1.00 0.00 O ATOM 1528 CG2 THR A 110 11.319 -5.349 4.295 1.00 0.00 C ATOM 0 H THR A 110 9.552 -2.042 5.607 1.00 0.00 H new ATOM 0 HA THR A 110 8.898 -4.526 4.622 1.00 0.00 H new ATOM 0 HB THR A 110 11.599 -3.869 5.861 1.00 0.00 H new ATOM 0 HG1 THR A 110 11.691 -3.230 3.332 1.00 0.00 H new ATOM 0 HG21 THR A 110 12.356 -5.312 3.962 1.00 0.00 H new ATOM 0 HG22 THR A 110 11.191 -6.179 4.990 1.00 0.00 H new ATOM 0 HG23 THR A 110 10.667 -5.493 3.434 1.00 0.00 H new ATOM 1536 N ASP A 111 9.789 -4.529 7.774 1.00 0.00 N ATOM 1537 CA ASP A 111 9.782 -5.196 9.079 1.00 0.00 C ATOM 1538 C ASP A 111 8.404 -5.818 9.383 1.00 0.00 C ATOM 1539 O ASP A 111 8.291 -7.037 9.517 1.00 0.00 O ATOM 1540 CB ASP A 111 10.150 -4.095 10.082 1.00 0.00 C ATOM 1541 CG ASP A 111 10.289 -4.620 11.517 1.00 0.00 C ATOM 1542 OD1 ASP A 111 9.271 -4.536 12.242 1.00 0.00 O ATOM 1543 OD2 ASP A 111 11.391 -5.112 11.844 1.00 0.00 O ATOM 0 H ASP A 111 10.095 -3.557 7.825 1.00 0.00 H new ATOM 0 HA ASP A 111 10.484 -6.029 9.122 1.00 0.00 H new ATOM 0 HB2 ASP A 111 11.088 -3.631 9.777 1.00 0.00 H new ATOM 0 HB3 ASP A 111 9.387 -3.317 10.057 1.00 0.00 H new ATOM 1549 N SER A 112 7.379 -4.999 9.161 1.00 0.00 N ATOM 1550 CA SER A 112 5.961 -5.377 9.359 1.00 0.00 C ATOM 1551 C SER A 112 5.438 -6.599 8.594 1.00 0.00 C ATOM 1552 O SER A 112 4.640 -7.343 9.142 1.00 0.00 O ATOM 1553 CB SER A 112 5.058 -4.176 9.089 1.00 0.00 C ATOM 1554 OG SER A 112 5.279 -3.193 10.092 1.00 0.00 O ATOM 0 H SER A 112 7.499 -4.040 8.834 1.00 0.00 H new ATOM 0 HA SER A 112 5.929 -5.693 10.402 1.00 0.00 H new ATOM 0 HB2 SER A 112 5.269 -3.761 8.103 1.00 0.00 H new ATOM 0 HB3 SER A 112 4.012 -4.484 9.088 1.00 0.00 H new ATOM 0 HG SER A 112 4.698 -3.373 10.860 1.00 0.00 H new ATOM 1560 N ILE A 113 5.959 -6.837 7.392 1.00 0.00 N ATOM 1561 CA ILE A 113 5.544 -8.022 6.613 1.00 0.00 C ATOM 1562 C ILE A 113 6.348 -9.261 7.019 1.00 0.00 C ATOM 1563 O ILE A 113 5.806 -10.353 7.134 1.00 0.00 O ATOM 1564 CB ILE A 113 5.745 -8.043 5.096 1.00 0.00 C ATOM 1565 CG1 ILE A 113 6.775 -7.075 4.562 1.00 0.00 C ATOM 1566 CG2 ILE A 113 4.425 -8.132 4.343 1.00 0.00 C ATOM 1567 CD1 ILE A 113 6.347 -5.610 4.607 1.00 0.00 C ATOM 0 H ILE A 113 6.654 -6.246 6.937 1.00 0.00 H new ATOM 0 HA ILE A 113 4.478 -7.999 6.839 1.00 0.00 H new ATOM 0 HB ILE A 113 6.246 -8.984 4.870 1.00 0.00 H new ATOM 0 HG12 ILE A 113 7.695 -7.190 5.135 1.00 0.00 H new ATOM 0 HG13 ILE A 113 7.006 -7.342 3.531 1.00 0.00 H new ATOM 0 HG21 ILE A 113 4.618 -8.144 3.270 1.00 0.00 H new ATOM 0 HG22 ILE A 113 3.904 -9.046 4.628 1.00 0.00 H new ATOM 0 HG23 ILE A 113 3.806 -7.270 4.591 1.00 0.00 H new ATOM 0 HD11 ILE A 113 7.145 -4.985 4.205 1.00 0.00 H new ATOM 0 HD12 ILE A 113 5.445 -5.476 4.009 1.00 0.00 H new ATOM 0 HD13 ILE A 113 6.145 -5.322 5.639 1.00 0.00 H new ATOM 1579 N GLU A 114 7.653 -9.053 7.040 1.00 0.00 N ATOM 1580 CA GLU A 114 8.633 -10.134 7.242 1.00 0.00 C ATOM 1581 C GLU A 114 8.532 -10.823 8.610 1.00 0.00 C ATOM 1582 O GLU A 114 8.976 -11.949 8.815 1.00 0.00 O ATOM 1583 CB GLU A 114 10.039 -9.660 6.917 1.00 0.00 C ATOM 1584 CG GLU A 114 10.029 -9.326 5.418 1.00 0.00 C ATOM 1585 CD GLU A 114 11.457 -9.245 4.888 1.00 0.00 C ATOM 1586 OE1 GLU A 114 12.092 -8.201 5.153 1.00 0.00 O ATOM 1587 OE2 GLU A 114 11.885 -10.235 4.275 1.00 0.00 O ATOM 0 H GLU A 114 8.075 -8.132 6.918 1.00 0.00 H new ATOM 0 HA GLU A 114 8.377 -10.920 6.531 1.00 0.00 H new ATOM 0 HB2 GLU A 114 10.304 -8.786 7.511 1.00 0.00 H new ATOM 0 HB3 GLU A 114 10.774 -10.433 7.141 1.00 0.00 H new ATOM 0 HG2 GLU A 114 9.473 -10.088 4.872 1.00 0.00 H new ATOM 0 HG3 GLU A 114 9.517 -8.378 5.252 1.00 0.00 H new ATOM 1595 N LYS A 115 7.883 -10.094 9.504 1.00 0.00 N ATOM 1596 CA LYS A 115 7.343 -10.541 10.798 1.00 0.00 C ATOM 1597 C LYS A 115 6.435 -11.783 10.616 1.00 0.00 C ATOM 1598 O LYS A 115 6.491 -12.729 11.387 1.00 0.00 O ATOM 1599 CB LYS A 115 6.538 -9.311 11.209 1.00 0.00 C ATOM 1600 CG LYS A 115 5.866 -9.431 12.581 1.00 0.00 C ATOM 1601 CD LYS A 115 4.760 -8.388 12.689 1.00 0.00 C ATOM 1602 CE LYS A 115 5.251 -6.955 12.892 1.00 0.00 C ATOM 1603 NZ LYS A 115 5.899 -6.841 14.216 1.00 0.00 N ATOM 0 H LYS A 115 7.702 -9.103 9.342 1.00 0.00 H new ATOM 0 HA LYS A 115 8.092 -10.850 11.528 1.00 0.00 H new ATOM 0 HB2 LYS A 115 7.198 -8.444 11.215 1.00 0.00 H new ATOM 0 HB3 LYS A 115 5.772 -9.124 10.457 1.00 0.00 H new ATOM 0 HG2 LYS A 115 5.453 -10.431 12.711 1.00 0.00 H new ATOM 0 HG3 LYS A 115 6.600 -9.284 13.373 1.00 0.00 H new ATOM 0 HD2 LYS A 115 4.155 -8.425 11.783 1.00 0.00 H new ATOM 0 HD3 LYS A 115 4.107 -8.655 13.520 1.00 0.00 H new ATOM 0 HE2 LYS A 115 5.956 -6.686 12.105 1.00 0.00 H new ATOM 0 HE3 LYS A 115 4.415 -6.259 12.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 6.004 -5.837 14.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 5.313 -7.316 14.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 6.837 -7.290 14.183 1.00 0.00 H new ATOM 1617 N TYR A 116 5.617 -11.727 9.559 1.00 0.00 N ATOM 1618 CA TYR A 116 4.651 -12.758 9.149 1.00 0.00 C ATOM 1619 C TYR A 116 5.295 -13.798 8.241 1.00 0.00 C ATOM 1620 O TYR A 116 5.160 -14.996 8.485 1.00 0.00 O ATOM 1621 CB TYR A 116 3.490 -12.096 8.390 1.00 0.00 C ATOM 1622 CG TYR A 116 2.841 -10.956 9.166 1.00 0.00 C ATOM 1623 CD1 TYR A 116 2.467 -11.182 10.508 1.00 0.00 C ATOM 1624 CD2 TYR A 116 2.621 -9.729 8.510 1.00 0.00 C ATOM 1625 CE1 TYR A 116 1.875 -10.130 11.230 1.00 0.00 C ATOM 1626 CE2 TYR A 116 2.028 -8.682 9.224 1.00 0.00 C ATOM 1627 CZ TYR A 116 1.678 -8.896 10.578 1.00 0.00 C ATOM 1628 OH TYR A 116 1.150 -7.881 11.295 1.00 0.00 O ATOM 0 H TYR A 116 5.609 -10.921 8.933 1.00 0.00 H new ATOM 0 HA TYR A 116 4.291 -13.256 10.049 1.00 0.00 H new ATOM 0 HB2 TYR A 116 3.857 -11.716 7.437 1.00 0.00 H new ATOM 0 HB3 TYR A 116 2.735 -12.849 8.164 1.00 0.00 H new ATOM 0 HD1 TYR A 116 2.632 -12.144 10.971 1.00 0.00 H new ATOM 0 HD2 TYR A 116 2.905 -9.599 7.476 1.00 0.00 H new ATOM 0 HE1 TYR A 116 1.578 -10.265 12.260 1.00 0.00 H new ATOM 0 HE2 TYR A 116 1.841 -7.729 8.751 1.00 0.00 H new ATOM 0 HH TYR A 116 1.871 -7.369 11.717 1.00 0.00 H new ATOM 1638 N LEU A 117 5.881 -13.343 7.133 1.00 0.00 N ATOM 1639 CA LEU A 117 6.709 -14.249 6.295 1.00 0.00 C ATOM 1640 C LEU A 117 8.123 -14.327 6.885 1.00 0.00 C ATOM 1641 O LEU A 117 9.126 -13.847 6.379 1.00 0.00 O ATOM 1642 CB LEU A 117 6.646 -13.963 4.786 1.00 0.00 C ATOM 1643 CG LEU A 117 6.980 -12.524 4.375 1.00 0.00 C ATOM 1644 CD1 LEU A 117 8.017 -12.554 3.254 1.00 0.00 C ATOM 1645 CD2 LEU A 117 5.715 -11.787 3.942 1.00 0.00 C ATOM 0 H LEU A 117 5.810 -12.384 6.792 1.00 0.00 H new ATOM 0 HA LEU A 117 6.275 -15.248 6.340 1.00 0.00 H new ATOM 0 HB2 LEU A 117 7.334 -14.637 4.277 1.00 0.00 H new ATOM 0 HB3 LEU A 117 5.644 -14.201 4.430 1.00 0.00 H new ATOM 0 HG LEU A 117 7.397 -11.985 5.225 1.00 0.00 H new ATOM 0 HD11 LEU A 117 8.260 -11.534 2.956 1.00 0.00 H new ATOM 0 HD12 LEU A 117 8.919 -13.054 3.606 1.00 0.00 H new ATOM 0 HD13 LEU A 117 7.613 -13.095 2.399 1.00 0.00 H new ATOM 0 HD21 LEU A 117 5.969 -10.767 3.653 1.00 0.00 H new ATOM 0 HD22 LEU A 117 5.266 -12.303 3.094 1.00 0.00 H new ATOM 0 HD23 LEU A 117 5.006 -11.764 4.770 1.00 0.00 H new TER 1657 LEU A 117