USER MOD reduce.3.24.130724 H: found=0, std=0, add=1157, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1155 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 125 THR OG1 : rot -170:sc= -1.46 USER MOD Set 1.2: A 128 ASN : amide:sc= -0.189 X(o=-1.7,f=-1.7) USER MOD Set 2.1: A 106 TYR OH : rot 63:sc= -0.976 USER MOD Set 2.2: A 114 LYS NZ :NH3+ 174:sc= -1.38! (180deg=-1.68!) USER MOD Set 3.1: A 33 ASN : amide:sc= -1.33 K(o=-1.3,f=-3.8!) USER MOD Set 3.2: A 99 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 34 SER OG : rot -75:sc= 0.378 USER MOD Set 4.2: A 35 HIS :FLIP no HD1:sc= -0.489 F(o=-7.8,f=-4.7) USER MOD Set 4.3: A 129 LYS NZ :NH3+ -140:sc= -4.59! (180deg=-7.62!) USER MOD Set 5.1: A 1 ALA N :NH3+ -150:sc= -0.439 (180deg=-1.08) USER MOD Set 5.2: A 26 ASN :FLIP amide:sc= 0 F(o=-1.8,f=-0.44) USER MOD Set 6.1: A 12 ASN : amide:sc= -0.449 K(o=-1.7,f=-2.5) USER MOD Set 6.2: A 15 THR OG1 : rot -153:sc= -1.25 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -3.6! C(o=-3.6!,f=-3.3!) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.0075) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -0.0482 X(o=-0.048,f=-0.27) USER MOD Single : A 17 LYS NZ :NH3+ -129:sc= -0.013 (180deg=-0.242) USER MOD Single : A 18 TYR OH : rot 3:sc= 0.261 USER MOD Single : A 20 THR OG1 : rot -13:sc= 0.041 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 172:sc= -0.765 USER MOD Single : A 27 GLN : amide:sc= -1.35 K(o=-1.4,f=-7.9!) USER MOD Single : A 28 ASN : amide:sc= -0.194 K(o=-0.19,f=-0.95) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 43:sc=0.000591 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 143:sc= 0.296 USER MOD Single : A 46 SER OG : rot 87:sc= 0.066 USER MOD Single : A 47 SER OG : rot 180:sc=-0.000428 USER MOD Single : A 48 TYR OH : rot 153:sc= 0 USER MOD Single : A 50 HIS : no HE2:sc= -2.53 X(o=-2.5,f=-2.6!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0279 USER MOD Single : A 54 ASN : amide:sc= 0.0114 K(o=0.011,f=-4.2!) USER MOD Single : A 56 TYR OH : rot -101:sc= 0.167 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 HIS : no HD1:sc= -0.147 K(o=-0.15,f=-6!) USER MOD Single : A 83 SER OG : rot 180:sc= 0.313 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= -1.29 K(o=-1.3,f=-3.9) USER MOD Single : A 93 TYR OH : rot -39:sc= 0.0992 USER MOD Single : A 104 HIS : no HD1:sc= -1.34 K(o=-1.3,f=-3.3) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 ASN : amide:sc= -0.997 X(o=-1,f=-1.1) USER MOD Single : A 124 TYR OH : rot 180:sc= -0.436 USER MOD Single : A 126 TYR OH : rot 164:sc= 0.473 USER MOD Single : A 137 HIS : no HE2:sc= -0.508 K(o=-0.51,f=-5.3!) USER MOD Single : A 138 THR OG1 : rot 180:sc= 0 USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 ASN : amide:sc= -0.121 K(o=-0.12,f=-1.4) USER MOD Single : A 142 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 149 SER OG : rot 180:sc= 0 USER MOD Single : A 150 HIS : no HD1:sc= -0.989 X(o=-0.99,f=-0.89) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.155 -5.872 -16.719 1.00 0.00 N ATOM 2 CA ALA A 1 3.461 -6.565 -16.746 1.00 0.00 C ATOM 3 C ALA A 1 3.390 -7.940 -16.064 1.00 0.00 C ATOM 4 O ALA A 1 2.920 -8.907 -16.666 1.00 0.00 O ATOM 5 CB ALA A 1 4.526 -5.617 -16.158 1.00 0.00 C ATOM 0 H1 ALA A 1 2.071 -5.257 -17.553 1.00 0.00 H new ATOM 0 H2 ALA A 1 1.389 -6.575 -16.729 1.00 0.00 H new ATOM 0 H3 ALA A 1 2.085 -5.296 -15.856 1.00 0.00 H new ATOM 0 HA ALA A 1 3.751 -6.794 -17.771 1.00 0.00 H new ATOM 0 HB1 ALA A 1 5.498 -6.110 -16.169 1.00 0.00 H new ATOM 0 HB2 ALA A 1 4.574 -4.707 -16.757 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.260 -5.362 -15.132 1.00 0.00 H new ATOM 11 N VAL A 2 3.597 -7.950 -14.758 1.00 0.00 N ATOM 12 CA VAL A 2 3.555 -9.183 -13.964 1.00 0.00 C ATOM 13 C VAL A 2 2.207 -9.259 -13.228 1.00 0.00 C ATOM 14 O VAL A 2 1.750 -8.291 -12.616 1.00 0.00 O ATOM 15 CB VAL A 2 4.773 -9.158 -13.022 1.00 0.00 C ATOM 16 CG1 VAL A 2 4.878 -10.417 -12.204 1.00 0.00 C ATOM 17 CG2 VAL A 2 6.114 -9.025 -13.735 1.00 0.00 C ATOM 0 H VAL A 2 3.799 -7.112 -14.213 1.00 0.00 H new ATOM 0 HA VAL A 2 3.619 -10.083 -14.576 1.00 0.00 H new ATOM 0 HB VAL A 2 4.591 -8.278 -12.406 1.00 0.00 H new ATOM 0 HG11 VAL A 2 5.751 -10.357 -11.554 1.00 0.00 H new ATOM 0 HG12 VAL A 2 3.980 -10.532 -11.597 1.00 0.00 H new ATOM 0 HG13 VAL A 2 4.979 -11.275 -12.868 1.00 0.00 H new ATOM 0 HG21 VAL A 2 6.918 -9.015 -12.999 1.00 0.00 H new ATOM 0 HG22 VAL A 2 6.252 -9.868 -14.412 1.00 0.00 H new ATOM 0 HG23 VAL A 2 6.133 -8.096 -14.305 1.00 0.00 H new ATOM 27 N THR A 3 1.522 -10.368 -13.452 1.00 0.00 N ATOM 28 CA THR A 3 0.193 -10.630 -12.875 1.00 0.00 C ATOM 29 C THR A 3 0.297 -11.155 -11.429 1.00 0.00 C ATOM 30 O THR A 3 0.400 -12.353 -11.187 1.00 0.00 O ATOM 31 CB THR A 3 -0.591 -11.525 -13.869 1.00 0.00 C ATOM 32 OG1 THR A 3 -1.302 -10.622 -14.725 1.00 0.00 O ATOM 33 CG2 THR A 3 -1.543 -12.578 -13.307 1.00 0.00 C ATOM 0 H THR A 3 1.866 -11.125 -14.043 1.00 0.00 H new ATOM 0 HA THR A 3 -0.383 -9.712 -12.757 1.00 0.00 H new ATOM 0 HB THR A 3 0.150 -12.150 -14.366 1.00 0.00 H new ATOM 0 HG1 THR A 3 -1.820 -11.133 -15.382 1.00 0.00 H new ATOM 0 HG21 THR A 3 -2.013 -13.119 -14.128 1.00 0.00 H new ATOM 0 HG22 THR A 3 -0.985 -13.277 -12.684 1.00 0.00 H new ATOM 0 HG23 THR A 3 -2.311 -12.091 -12.707 1.00 0.00 H new ATOM 41 N TRP A 4 0.358 -10.221 -10.500 1.00 0.00 N ATOM 42 CA TRP A 4 0.424 -10.552 -9.064 1.00 0.00 C ATOM 43 C TRP A 4 -0.966 -10.852 -8.521 1.00 0.00 C ATOM 44 O TRP A 4 -1.830 -9.987 -8.434 1.00 0.00 O ATOM 45 CB TRP A 4 1.052 -9.413 -8.252 1.00 0.00 C ATOM 46 CG TRP A 4 2.543 -9.249 -8.529 1.00 0.00 C ATOM 47 CD1 TRP A 4 3.072 -8.666 -9.599 1.00 0.00 C ATOM 48 CD2 TRP A 4 3.599 -9.661 -7.726 1.00 0.00 C ATOM 49 NE1 TRP A 4 4.393 -8.681 -9.518 1.00 0.00 N ATOM 50 CE2 TRP A 4 4.770 -9.283 -8.398 1.00 0.00 C ATOM 51 CE3 TRP A 4 3.660 -10.347 -6.495 1.00 0.00 C ATOM 52 CZ2 TRP A 4 6.037 -9.593 -7.855 1.00 0.00 C ATOM 53 CZ3 TRP A 4 4.922 -10.672 -5.960 1.00 0.00 C ATOM 54 CH2 TRP A 4 6.104 -10.293 -6.641 1.00 0.00 C ATOM 0 H TRP A 4 0.364 -9.221 -10.700 1.00 0.00 H new ATOM 0 HA TRP A 4 1.054 -11.436 -8.964 1.00 0.00 H new ATOM 0 HB2 TRP A 4 0.538 -8.480 -8.484 1.00 0.00 H new ATOM 0 HB3 TRP A 4 0.902 -9.604 -7.189 1.00 0.00 H new ATOM 0 HD1 TRP A 4 2.507 -8.242 -10.416 1.00 0.00 H new ATOM 0 HE1 TRP A 4 5.027 -8.288 -10.214 1.00 0.00 H new ATOM 0 HE3 TRP A 4 2.755 -10.618 -5.972 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 6.940 -9.296 -8.367 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 4.988 -11.212 -5.027 1.00 0.00 H new ATOM 0 HH2 TRP A 4 7.067 -10.545 -6.222 1.00 0.00 H new ATOM 65 N THR A 5 -1.171 -12.120 -8.244 1.00 0.00 N ATOM 66 CA THR A 5 -2.473 -12.638 -7.810 1.00 0.00 C ATOM 67 C THR A 5 -2.379 -13.049 -6.333 1.00 0.00 C ATOM 68 O THR A 5 -1.358 -13.558 -5.867 1.00 0.00 O ATOM 69 CB THR A 5 -2.903 -13.810 -8.692 1.00 0.00 C ATOM 70 OG1 THR A 5 -2.689 -13.454 -10.053 1.00 0.00 O ATOM 71 CG2 THR A 5 -4.403 -14.078 -8.551 1.00 0.00 C ATOM 0 H THR A 5 -0.445 -12.833 -8.310 1.00 0.00 H new ATOM 0 HA THR A 5 -3.233 -11.863 -7.911 1.00 0.00 H new ATOM 0 HB THR A 5 -2.331 -14.688 -8.392 1.00 0.00 H new ATOM 0 HG1 THR A 5 -2.959 -14.197 -10.632 1.00 0.00 H new ATOM 0 HG21 THR A 5 -4.684 -14.916 -9.188 1.00 0.00 H new ATOM 0 HG22 THR A 5 -4.634 -14.318 -7.513 1.00 0.00 H new ATOM 0 HG23 THR A 5 -4.961 -13.191 -8.851 1.00 0.00 H new ATOM 79 N CYS A 6 -3.425 -12.697 -5.601 1.00 0.00 N ATOM 80 CA CYS A 6 -3.543 -12.979 -4.162 1.00 0.00 C ATOM 81 C CYS A 6 -4.861 -13.687 -3.843 1.00 0.00 C ATOM 82 O CYS A 6 -5.889 -13.462 -4.483 1.00 0.00 O ATOM 83 CB CYS A 6 -3.454 -11.677 -3.366 1.00 0.00 C ATOM 84 SG CYS A 6 -1.912 -11.627 -2.373 1.00 0.00 S ATOM 0 H CYS A 6 -4.230 -12.202 -5.985 1.00 0.00 H new ATOM 0 HA CYS A 6 -2.722 -13.638 -3.879 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -3.482 -10.826 -4.047 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -4.319 -11.587 -2.709 1.00 0.00 H new ATOM 89 N LEU A 7 -4.832 -14.511 -2.802 1.00 0.00 N ATOM 90 CA LEU A 7 -6.013 -15.296 -2.403 1.00 0.00 C ATOM 91 C LEU A 7 -6.568 -14.804 -1.054 1.00 0.00 C ATOM 92 O LEU A 7 -6.082 -15.160 0.015 1.00 0.00 O ATOM 93 CB LEU A 7 -5.616 -16.778 -2.328 1.00 0.00 C ATOM 94 CG LEU A 7 -5.521 -17.366 -3.734 1.00 0.00 C ATOM 95 CD1 LEU A 7 -4.462 -18.478 -3.778 1.00 0.00 C ATOM 96 CD2 LEU A 7 -6.883 -17.879 -4.188 1.00 0.00 C ATOM 0 H LEU A 7 -4.011 -14.658 -2.215 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.804 -15.169 -3.142 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.659 -16.881 -1.817 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.351 -17.331 -1.743 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.212 -16.581 -4.425 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.406 -18.887 -4.787 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.492 -18.068 -3.498 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.736 -19.269 -3.080 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.799 -18.295 -5.192 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.227 -18.653 -3.502 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.598 -17.056 -4.195 1.00 0.00 H new ATOM 108 N ASN A 8 -7.402 -13.773 -1.176 1.00 0.00 N ATOM 109 CA ASN A 8 -8.028 -13.131 -0.001 1.00 0.00 C ATOM 110 C ASN A 8 -9.427 -13.703 0.260 1.00 0.00 C ATOM 111 O ASN A 8 -10.109 -14.185 -0.645 1.00 0.00 O ATOM 112 CB ASN A 8 -8.090 -11.596 -0.117 1.00 0.00 C ATOM 113 CG ASN A 8 -6.718 -10.915 -0.055 1.00 0.00 C ATOM 114 OD1 ASN A 8 -6.550 -9.771 0.340 1.00 0.00 O ATOM 115 ND2 ASN A 8 -5.697 -11.583 -0.544 1.00 0.00 N ATOM 0 H ASN A 8 -7.665 -13.359 -2.070 1.00 0.00 H new ATOM 0 HA ASN A 8 -7.386 -13.361 0.849 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -8.575 -11.331 -1.057 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -8.716 -11.205 0.685 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -4.777 -11.146 -0.591 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -5.825 -12.539 -0.877 1.00 0.00 H new ATOM 122 N ASP A 9 -9.808 -13.650 1.529 1.00 0.00 N ATOM 123 CA ASP A 9 -11.086 -14.185 1.999 1.00 0.00 C ATOM 124 C ASP A 9 -12.119 -13.053 2.056 1.00 0.00 C ATOM 125 O ASP A 9 -11.973 -12.136 2.863 1.00 0.00 O ATOM 126 CB ASP A 9 -10.882 -14.838 3.367 1.00 0.00 C ATOM 127 CG ASP A 9 -11.813 -16.030 3.615 1.00 0.00 C ATOM 128 OD1 ASP A 9 -12.340 -16.582 2.628 1.00 0.00 O ATOM 129 OD2 ASP A 9 -12.009 -16.343 4.809 1.00 0.00 O ATOM 0 H ASP A 9 -9.240 -13.234 2.267 1.00 0.00 H new ATOM 0 HA ASP A 9 -11.460 -14.945 1.314 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -9.847 -15.170 3.453 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -11.043 -14.092 4.145 1.00 0.00 H new ATOM 134 N GLN A 10 -13.042 -13.081 1.115 1.00 0.00 N ATOM 135 CA GLN A 10 -14.112 -12.074 0.999 1.00 0.00 C ATOM 136 C GLN A 10 -15.443 -12.616 1.515 1.00 0.00 C ATOM 137 O GLN A 10 -15.875 -13.702 1.110 1.00 0.00 O ATOM 138 CB GLN A 10 -14.286 -11.624 -0.443 1.00 0.00 C ATOM 139 CG GLN A 10 -13.291 -10.509 -0.761 1.00 0.00 C ATOM 140 CD GLN A 10 -13.401 -10.064 -2.217 1.00 0.00 C ATOM 141 OE1 GLN A 10 -13.231 -10.832 -3.156 1.00 0.00 O ATOM 142 NE2 GLN A 10 -13.643 -8.788 -2.431 1.00 0.00 N ATOM 0 H GLN A 10 -13.082 -13.804 0.397 1.00 0.00 H new ATOM 0 HA GLN A 10 -13.813 -11.222 1.609 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -14.130 -12.466 -1.118 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -15.305 -11.271 -0.603 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -13.473 -9.658 -0.104 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -12.277 -10.856 -0.560 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -13.783 -8.156 -1.643 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -13.690 -8.431 -3.385 1.00 0.00 H new ATOM 151 N LYS A 11 -16.068 -11.835 2.390 1.00 0.00 N ATOM 152 CA LYS A 11 -17.379 -12.173 2.964 1.00 0.00 C ATOM 153 C LYS A 11 -18.468 -11.835 1.948 1.00 0.00 C ATOM 154 O LYS A 11 -19.107 -10.784 1.987 1.00 0.00 O ATOM 155 CB LYS A 11 -17.591 -11.419 4.285 1.00 0.00 C ATOM 156 CG LYS A 11 -18.864 -11.870 5.002 1.00 0.00 C ATOM 157 CD LYS A 11 -19.392 -10.695 5.827 1.00 0.00 C ATOM 158 CE LYS A 11 -20.250 -11.186 6.990 1.00 0.00 C ATOM 159 NZ LYS A 11 -20.881 -10.031 7.628 1.00 0.00 N ATOM 0 H LYS A 11 -15.686 -10.950 2.725 1.00 0.00 H new ATOM 0 HA LYS A 11 -17.425 -13.239 3.185 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -16.732 -11.579 4.936 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -17.646 -10.349 4.087 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -19.613 -12.193 4.279 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -18.655 -12.723 5.647 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -18.556 -10.109 6.209 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -19.980 -10.034 5.190 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -21.009 -11.881 6.632 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -19.636 -11.727 7.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -21.469 -10.352 8.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -20.146 -9.384 7.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -21.477 -9.534 6.935 1.00 0.00 H new ATOM 173 N ASN A 12 -18.566 -12.719 0.963 1.00 0.00 N ATOM 174 CA ASN A 12 -19.540 -12.593 -0.130 1.00 0.00 C ATOM 175 C ASN A 12 -20.924 -12.304 0.475 1.00 0.00 C ATOM 176 O ASN A 12 -21.332 -13.079 1.338 1.00 0.00 O ATOM 177 CB ASN A 12 -19.651 -13.898 -0.907 1.00 0.00 C ATOM 178 CG ASN A 12 -20.002 -13.635 -2.368 1.00 0.00 C ATOM 179 OD1 ASN A 12 -19.551 -12.685 -2.990 1.00 0.00 O ATOM 180 ND2 ASN A 12 -20.805 -14.490 -2.954 1.00 0.00 N ATOM 0 H ASN A 12 -17.974 -13.547 0.893 1.00 0.00 H new ATOM 0 HA ASN A 12 -19.212 -11.794 -0.794 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -18.708 -14.442 -0.848 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -20.414 -14.531 -0.454 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -21.056 -14.364 -3.934 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -21.178 -15.281 -2.429 1.00 0.00 H new ATOM 187 N PRO A 13 -21.571 -11.204 0.104 1.00 0.00 N ATOM 188 CA PRO A 13 -22.896 -10.835 0.660 1.00 0.00 C ATOM 189 C PRO A 13 -24.025 -11.762 0.176 1.00 0.00 C ATOM 190 O PRO A 13 -24.949 -12.049 0.941 1.00 0.00 O ATOM 191 CB PRO A 13 -23.082 -9.382 0.238 1.00 0.00 C ATOM 192 CG PRO A 13 -22.273 -9.252 -1.053 1.00 0.00 C ATOM 193 CD PRO A 13 -21.104 -10.206 -0.870 1.00 0.00 C ATOM 0 HA PRO A 13 -22.938 -10.949 1.743 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -24.134 -9.148 0.073 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -22.720 -8.697 1.004 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -22.871 -9.520 -1.924 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -21.930 -8.229 -1.204 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -20.828 -10.676 -1.814 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -20.221 -9.682 -0.504 1.00 0.00 H new ATOM 201 N LYS A 14 -23.849 -12.348 -1.008 1.00 0.00 N ATOM 202 CA LYS A 14 -24.801 -13.306 -1.597 1.00 0.00 C ATOM 203 C LYS A 14 -24.893 -14.582 -0.728 1.00 0.00 C ATOM 204 O LYS A 14 -25.979 -15.022 -0.357 1.00 0.00 O ATOM 205 CB LYS A 14 -24.354 -13.680 -3.018 1.00 0.00 C ATOM 206 CG LYS A 14 -25.306 -14.661 -3.710 1.00 0.00 C ATOM 207 CD LYS A 14 -26.125 -13.951 -4.788 1.00 0.00 C ATOM 208 CE LYS A 14 -27.426 -14.702 -5.072 1.00 0.00 C ATOM 209 NZ LYS A 14 -28.325 -13.755 -5.747 1.00 0.00 N ATOM 0 H LYS A 14 -23.034 -12.173 -1.596 1.00 0.00 H new ATOM 0 HA LYS A 14 -25.784 -12.837 -1.638 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -24.277 -12.774 -3.618 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -23.357 -14.120 -2.975 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -24.735 -15.475 -4.157 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -25.974 -15.107 -2.974 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -26.351 -12.934 -4.467 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -25.538 -13.874 -5.703 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -27.240 -15.573 -5.700 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -27.872 -15.066 -4.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -29.228 -14.225 -5.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -28.498 -12.938 -5.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -27.886 -13.430 -6.632 1.00 0.00 H new ATOM 223 N THR A 15 -23.724 -15.119 -0.411 1.00 0.00 N ATOM 224 CA THR A 15 -23.609 -16.355 0.368 1.00 0.00 C ATOM 225 C THR A 15 -23.419 -16.092 1.872 1.00 0.00 C ATOM 226 O THR A 15 -23.355 -17.036 2.663 1.00 0.00 O ATOM 227 CB THR A 15 -22.450 -17.216 -0.169 1.00 0.00 C ATOM 228 OG1 THR A 15 -21.212 -16.507 -0.050 1.00 0.00 O ATOM 229 CG2 THR A 15 -22.658 -17.603 -1.639 1.00 0.00 C ATOM 0 H THR A 15 -22.827 -14.716 -0.683 1.00 0.00 H new ATOM 0 HA THR A 15 -24.550 -16.893 0.253 1.00 0.00 H new ATOM 0 HB THR A 15 -22.424 -18.127 0.429 1.00 0.00 H new ATOM 0 HG1 THR A 15 -20.586 -16.826 -0.733 1.00 0.00 H new ATOM 0 HG21 THR A 15 -21.818 -18.210 -1.978 1.00 0.00 H new ATOM 0 HG22 THR A 15 -23.581 -18.174 -1.738 1.00 0.00 H new ATOM 0 HG23 THR A 15 -22.723 -16.701 -2.247 1.00 0.00 H new ATOM 237 N ASN A 16 -23.295 -14.806 2.230 1.00 0.00 N ATOM 238 CA ASN A 16 -22.984 -14.290 3.579 1.00 0.00 C ATOM 239 C ASN A 16 -21.841 -15.061 4.271 1.00 0.00 C ATOM 240 O ASN A 16 -21.797 -15.206 5.486 1.00 0.00 O ATOM 241 CB ASN A 16 -24.291 -14.229 4.365 1.00 0.00 C ATOM 242 CG ASN A 16 -24.415 -12.925 5.144 1.00 0.00 C ATOM 243 OD1 ASN A 16 -24.191 -11.822 4.678 1.00 0.00 O ATOM 244 ND2 ASN A 16 -24.830 -13.058 6.377 1.00 0.00 N ATOM 0 H ASN A 16 -23.415 -14.053 1.552 1.00 0.00 H new ATOM 0 HA ASN A 16 -22.577 -13.281 3.516 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -25.133 -14.326 3.680 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -24.342 -15.072 5.054 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -24.970 -12.233 6.960 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -25.014 -13.987 6.756 1.00 0.00 H new ATOM 251 N LYS A 17 -20.922 -15.529 3.428 1.00 0.00 N ATOM 252 CA LYS A 17 -19.802 -16.373 3.833 1.00 0.00 C ATOM 253 C LYS A 17 -18.469 -15.882 3.257 1.00 0.00 C ATOM 254 O LYS A 17 -18.430 -15.227 2.212 1.00 0.00 O ATOM 255 CB LYS A 17 -20.019 -17.827 3.395 1.00 0.00 C ATOM 256 CG LYS A 17 -20.255 -18.726 4.607 1.00 0.00 C ATOM 257 CD LYS A 17 -19.915 -20.181 4.276 1.00 0.00 C ATOM 258 CE LYS A 17 -20.529 -21.151 5.292 1.00 0.00 C ATOM 259 NZ LYS A 17 -21.974 -21.237 5.041 1.00 0.00 N ATOM 0 H LYS A 17 -20.936 -15.328 2.428 1.00 0.00 H new ATOM 0 HA LYS A 17 -19.757 -16.316 4.921 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -20.873 -17.885 2.721 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -19.150 -18.178 2.839 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -19.644 -18.386 5.443 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -21.296 -18.653 4.923 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -20.279 -20.422 3.277 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -18.832 -20.307 4.260 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -20.070 -22.135 5.201 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -20.341 -20.804 6.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -22.491 -21.078 5.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -22.249 -20.514 4.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -22.206 -22.180 4.669 1.00 0.00 H new ATOM 273 N TYR A 18 -17.413 -16.368 3.875 1.00 0.00 N ATOM 274 CA TYR A 18 -16.033 -16.052 3.497 1.00 0.00 C ATOM 275 C TYR A 18 -15.496 -16.972 2.400 1.00 0.00 C ATOM 276 O TYR A 18 -15.444 -18.193 2.557 1.00 0.00 O ATOM 277 CB TYR A 18 -15.130 -16.123 4.723 1.00 0.00 C ATOM 278 CG TYR A 18 -14.925 -14.768 5.411 1.00 0.00 C ATOM 279 CD1 TYR A 18 -14.470 -13.668 4.657 1.00 0.00 C ATOM 280 CD2 TYR A 18 -15.119 -14.676 6.805 1.00 0.00 C ATOM 281 CE1 TYR A 18 -14.226 -12.437 5.304 1.00 0.00 C ATOM 282 CE2 TYR A 18 -14.855 -13.455 7.451 1.00 0.00 C ATOM 283 CZ TYR A 18 -14.426 -12.346 6.691 1.00 0.00 C ATOM 284 OH TYR A 18 -14.212 -11.162 7.318 1.00 0.00 O ATOM 0 H TYR A 18 -17.480 -17.005 4.669 1.00 0.00 H new ATOM 0 HA TYR A 18 -16.035 -15.040 3.093 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -15.558 -16.824 5.439 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -14.160 -16.522 4.427 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -14.309 -13.766 3.593 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -15.465 -15.530 7.368 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -13.891 -11.579 4.741 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -14.980 -13.367 8.520 1.00 0.00 H new ATOM 0 HH TYR A 18 -13.967 -10.481 6.657 1.00 0.00 H new ATOM 294 N GLU A 19 -15.245 -16.356 1.245 1.00 0.00 N ATOM 295 CA GLU A 19 -14.763 -17.065 0.045 1.00 0.00 C ATOM 296 C GLU A 19 -13.356 -16.593 -0.287 1.00 0.00 C ATOM 297 O GLU A 19 -13.071 -15.394 -0.291 1.00 0.00 O ATOM 298 CB GLU A 19 -15.642 -16.775 -1.182 1.00 0.00 C ATOM 299 CG GLU A 19 -17.119 -16.584 -0.840 1.00 0.00 C ATOM 300 CD GLU A 19 -18.002 -16.539 -2.091 1.00 0.00 C ATOM 301 OE1 GLU A 19 -17.806 -15.626 -2.914 1.00 0.00 O ATOM 302 OE2 GLU A 19 -18.955 -17.352 -2.107 1.00 0.00 O ATOM 0 H GLU A 19 -15.368 -15.353 1.108 1.00 0.00 H new ATOM 0 HA GLU A 19 -14.792 -18.132 0.266 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -15.273 -15.878 -1.680 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -15.544 -17.597 -1.892 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -17.449 -17.398 -0.194 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -17.243 -15.659 -0.276 1.00 0.00 H new ATOM 309 N THR A 20 -12.552 -17.525 -0.789 1.00 0.00 N ATOM 310 CA THR A 20 -11.150 -17.247 -1.127 1.00 0.00 C ATOM 311 C THR A 20 -11.004 -17.034 -2.633 1.00 0.00 C ATOM 312 O THR A 20 -10.702 -17.944 -3.412 1.00 0.00 O ATOM 313 CB THR A 20 -10.244 -18.346 -0.566 1.00 0.00 C ATOM 314 OG1 THR A 20 -10.480 -18.411 0.849 1.00 0.00 O ATOM 315 CG2 THR A 20 -8.757 -18.089 -0.801 1.00 0.00 C ATOM 0 H THR A 20 -12.844 -18.485 -0.973 1.00 0.00 H new ATOM 0 HA THR A 20 -10.827 -16.318 -0.657 1.00 0.00 H new ATOM 0 HB THR A 20 -10.485 -19.276 -1.080 1.00 0.00 H new ATOM 0 HG1 THR A 20 -10.991 -17.624 1.132 1.00 0.00 H new ATOM 0 HG21 THR A 20 -8.175 -18.907 -0.377 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.564 -18.023 -1.872 1.00 0.00 H new ATOM 0 HG23 THR A 20 -8.469 -17.153 -0.322 1.00 0.00 H new ATOM 323 N LYS A 21 -11.350 -15.814 -3.028 1.00 0.00 N ATOM 324 CA LYS A 21 -11.263 -15.350 -4.430 1.00 0.00 C ATOM 325 C LYS A 21 -9.806 -15.029 -4.795 1.00 0.00 C ATOM 326 O LYS A 21 -8.919 -14.965 -3.933 1.00 0.00 O ATOM 327 CB LYS A 21 -12.185 -14.140 -4.611 1.00 0.00 C ATOM 328 CG LYS A 21 -13.662 -14.496 -4.382 1.00 0.00 C ATOM 329 CD LYS A 21 -14.383 -14.813 -5.703 1.00 0.00 C ATOM 330 CE LYS A 21 -15.463 -15.886 -5.518 1.00 0.00 C ATOM 331 NZ LYS A 21 -15.062 -17.053 -6.315 1.00 0.00 N ATOM 0 H LYS A 21 -11.704 -15.104 -2.387 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.593 -16.136 -5.109 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.891 -13.354 -3.916 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.062 -13.739 -5.617 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -13.730 -15.356 -3.715 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.163 -13.666 -3.884 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -14.837 -13.904 -6.097 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -13.657 -15.152 -6.442 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.561 -16.155 -4.466 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -16.434 -15.514 -5.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -15.774 -17.804 -6.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -14.987 -16.781 -7.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -14.141 -17.402 -5.981 1.00 0.00 H new ATOM 345 N ARG A 22 -9.569 -14.890 -6.089 1.00 0.00 N ATOM 346 CA ARG A 22 -8.234 -14.577 -6.639 1.00 0.00 C ATOM 347 C ARG A 22 -8.159 -13.118 -7.099 1.00 0.00 C ATOM 348 O ARG A 22 -8.684 -12.725 -8.140 1.00 0.00 O ATOM 349 CB ARG A 22 -7.915 -15.505 -7.813 1.00 0.00 C ATOM 350 CG ARG A 22 -6.785 -16.455 -7.426 1.00 0.00 C ATOM 351 CD ARG A 22 -7.090 -17.880 -7.873 1.00 0.00 C ATOM 352 NE ARG A 22 -8.245 -18.375 -7.105 1.00 0.00 N ATOM 353 CZ ARG A 22 -8.876 -19.540 -7.287 1.00 0.00 C ATOM 354 NH1 ARG A 22 -8.441 -20.402 -8.187 1.00 0.00 N ATOM 355 NH2 ARG A 22 -9.916 -19.853 -6.540 1.00 0.00 N ATOM 0 H ARG A 22 -10.292 -14.989 -6.802 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.499 -14.730 -5.848 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.802 -16.074 -8.091 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.627 -14.918 -8.685 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.852 -16.120 -7.880 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.640 -16.432 -6.346 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -7.307 -17.903 -8.941 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.224 -18.521 -7.710 1.00 0.00 H new ATOM 0 HE ARG A 22 -8.598 -17.771 -6.363 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -7.619 -20.181 -8.749 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -8.927 -21.289 -8.321 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -10.241 -19.206 -5.821 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.396 -20.742 -6.681 1.00 0.00 H new ATOM 369 N LEU A 23 -7.520 -12.328 -6.257 1.00 0.00 N ATOM 370 CA LEU A 23 -7.284 -10.897 -6.492 1.00 0.00 C ATOM 371 C LEU A 23 -6.057 -10.715 -7.393 1.00 0.00 C ATOM 372 O LEU A 23 -4.922 -10.696 -6.935 1.00 0.00 O ATOM 373 CB LEU A 23 -7.129 -10.184 -5.147 1.00 0.00 C ATOM 374 CG LEU A 23 -8.242 -9.149 -4.939 1.00 0.00 C ATOM 375 CD1 LEU A 23 -9.611 -9.803 -4.744 1.00 0.00 C ATOM 376 CD2 LEU A 23 -7.902 -8.279 -3.723 1.00 0.00 C ATOM 0 H LEU A 23 -7.139 -12.659 -5.371 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.133 -10.451 -7.009 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.153 -10.916 -4.339 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.157 -9.692 -5.103 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.302 -8.536 -5.838 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.366 -9.030 -4.601 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.860 -10.395 -5.625 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -9.583 -10.450 -3.868 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.690 -7.542 -3.571 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.819 -8.909 -2.837 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.955 -7.767 -3.895 1.00 0.00 H new ATOM 388 N LEU A 24 -6.334 -10.816 -8.689 1.00 0.00 N ATOM 389 CA LEU A 24 -5.333 -10.565 -9.739 1.00 0.00 C ATOM 390 C LEU A 24 -5.097 -9.062 -9.920 1.00 0.00 C ATOM 391 O LEU A 24 -6.026 -8.277 -10.148 1.00 0.00 O ATOM 392 CB LEU A 24 -5.696 -11.368 -11.013 1.00 0.00 C ATOM 393 CG LEU A 24 -5.222 -10.856 -12.395 1.00 0.00 C ATOM 394 CD1 LEU A 24 -6.174 -9.808 -12.974 1.00 0.00 C ATOM 395 CD2 LEU A 24 -3.774 -10.365 -12.407 1.00 0.00 C ATOM 0 H LEU A 24 -7.254 -11.073 -9.048 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.353 -10.942 -9.446 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.304 -12.377 -10.886 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.782 -11.450 -11.050 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.246 -11.728 -13.049 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.803 -9.476 -13.944 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.166 -10.244 -13.094 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.232 -8.956 -12.297 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.514 -10.022 -13.409 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.663 -9.542 -11.702 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.111 -11.181 -12.119 1.00 0.00 H new ATOM 407 N TYR A 25 -3.832 -8.720 -9.767 1.00 0.00 N ATOM 408 CA TYR A 25 -3.318 -7.357 -9.911 1.00 0.00 C ATOM 409 C TYR A 25 -2.281 -7.295 -11.029 1.00 0.00 C ATOM 410 O TYR A 25 -1.388 -8.141 -11.143 1.00 0.00 O ATOM 411 CB TYR A 25 -2.672 -6.902 -8.600 1.00 0.00 C ATOM 412 CG TYR A 25 -3.720 -6.474 -7.575 1.00 0.00 C ATOM 413 CD1 TYR A 25 -4.593 -7.421 -7.004 1.00 0.00 C ATOM 414 CD2 TYR A 25 -3.760 -5.113 -7.221 1.00 0.00 C ATOM 415 CE1 TYR A 25 -5.556 -6.995 -6.077 1.00 0.00 C ATOM 416 CE2 TYR A 25 -4.701 -4.698 -6.271 1.00 0.00 C ATOM 417 CZ TYR A 25 -5.609 -5.630 -5.725 1.00 0.00 C ATOM 418 OH TYR A 25 -6.568 -5.190 -4.857 1.00 0.00 O ATOM 0 H TYR A 25 -3.106 -9.397 -9.532 1.00 0.00 H new ATOM 0 HA TYR A 25 -4.151 -6.699 -10.158 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -2.071 -7.713 -8.189 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -1.994 -6.071 -8.797 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.522 -8.464 -7.277 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -3.081 -4.405 -7.672 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -6.246 -7.701 -5.640 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -4.732 -3.665 -5.956 1.00 0.00 H new ATOM 0 HH TYR A 25 -6.391 -4.256 -4.620 1.00 0.00 H new ATOM 428 N ASN A 26 -2.374 -6.219 -11.776 1.00 0.00 N ATOM 429 CA ASN A 26 -1.416 -5.982 -12.867 1.00 0.00 C ATOM 430 C ASN A 26 -0.297 -5.098 -12.315 1.00 0.00 C ATOM 431 O ASN A 26 -0.503 -3.923 -12.029 1.00 0.00 O ATOM 432 CB ASN A 26 -2.118 -5.283 -14.029 1.00 0.00 C ATOM 433 CG ASN A 26 -1.793 -5.997 -15.333 1.00 0.00 C ATOM 434 OD1 ASN A 26 -0.679 -5.663 -15.937 1.00 0.00 O flip ATOM 435 ND2 ASN A 26 -2.523 -6.846 -15.824 1.00 0.00 N flip ATOM 0 H ASN A 26 -3.085 -5.497 -11.663 1.00 0.00 H new ATOM 0 HA ASN A 26 -1.008 -6.923 -13.235 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.196 -5.279 -13.865 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -1.800 -4.242 -14.085 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.390 -7.106 -15.354 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.265 -7.294 -16.703 1.00 0.00 H new ATOM 442 N GLN A 27 0.900 -5.678 -12.253 1.00 0.00 N ATOM 443 CA GLN A 27 2.097 -4.948 -11.799 1.00 0.00 C ATOM 444 C GLN A 27 2.318 -3.658 -12.595 1.00 0.00 C ATOM 445 O GLN A 27 2.853 -2.696 -12.048 1.00 0.00 O ATOM 446 CB GLN A 27 3.338 -5.803 -11.917 1.00 0.00 C ATOM 447 CG GLN A 27 4.504 -5.124 -11.216 1.00 0.00 C ATOM 448 CD GLN A 27 5.809 -5.864 -11.447 1.00 0.00 C ATOM 449 OE1 GLN A 27 5.965 -7.052 -11.186 1.00 0.00 O ATOM 450 NE2 GLN A 27 6.823 -5.134 -11.828 1.00 0.00 N ATOM 0 H GLN A 27 1.074 -6.650 -12.510 1.00 0.00 H new ATOM 0 HA GLN A 27 1.920 -4.695 -10.753 1.00 0.00 H new ATOM 0 HB2 GLN A 27 3.158 -6.783 -11.475 1.00 0.00 H new ATOM 0 HB3 GLN A 27 3.579 -5.966 -12.967 1.00 0.00 H new ATOM 0 HG2 GLN A 27 4.598 -4.100 -11.577 1.00 0.00 H new ATOM 0 HG3 GLN A 27 4.302 -5.068 -10.146 1.00 0.00 H new ATOM 0 HE21 GLN A 27 6.688 -4.146 -12.044 1.00 0.00 H new ATOM 0 HE22 GLN A 27 7.750 -5.552 -11.910 1.00 0.00 H new ATOM 459 N ASN A 28 1.889 -3.626 -13.848 1.00 0.00 N ATOM 460 CA ASN A 28 1.871 -2.395 -14.656 1.00 0.00 C ATOM 461 C ASN A 28 1.283 -1.210 -13.887 1.00 0.00 C ATOM 462 O ASN A 28 1.982 -0.240 -13.627 1.00 0.00 O ATOM 463 CB ASN A 28 1.124 -2.616 -15.969 1.00 0.00 C ATOM 464 CG ASN A 28 0.977 -1.321 -16.784 1.00 0.00 C ATOM 465 OD1 ASN A 28 1.696 -0.343 -16.620 1.00 0.00 O ATOM 466 ND2 ASN A 28 -0.042 -1.262 -17.605 1.00 0.00 N ATOM 0 H ASN A 28 1.542 -4.448 -14.342 1.00 0.00 H new ATOM 0 HA ASN A 28 2.907 -2.147 -14.886 1.00 0.00 H new ATOM 0 HB2 ASN A 28 1.654 -3.359 -16.565 1.00 0.00 H new ATOM 0 HB3 ASN A 28 0.135 -3.023 -15.757 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -0.240 -0.399 -18.111 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -0.638 -2.079 -17.738 1.00 0.00 H new ATOM 473 N LYS A 29 0.133 -1.463 -13.266 1.00 0.00 N ATOM 474 CA LYS A 29 -0.508 -0.470 -12.396 1.00 0.00 C ATOM 475 C LYS A 29 0.223 -0.288 -11.076 1.00 0.00 C ATOM 476 O LYS A 29 0.421 0.846 -10.691 1.00 0.00 O ATOM 477 CB LYS A 29 -1.979 -0.797 -12.177 1.00 0.00 C ATOM 478 CG LYS A 29 -2.727 -0.350 -13.434 1.00 0.00 C ATOM 479 CD LYS A 29 -3.432 -1.535 -14.093 1.00 0.00 C ATOM 480 CE LYS A 29 -4.295 -1.041 -15.246 1.00 0.00 C ATOM 481 NZ LYS A 29 -3.621 -1.404 -16.492 1.00 0.00 N ATOM 0 H LYS A 29 -0.376 -2.343 -13.346 1.00 0.00 H new ATOM 0 HA LYS A 29 -0.448 0.486 -12.916 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.116 -1.865 -12.006 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.362 -0.281 -11.296 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.458 0.416 -13.175 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.028 0.101 -14.138 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.696 -2.252 -14.458 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.049 -2.056 -13.361 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.287 -1.492 -15.202 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.432 0.039 -15.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.188 -1.079 -17.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.684 -0.955 -16.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -3.511 -2.437 -16.539 1.00 0.00 H new ATOM 495 N ALA A 30 0.847 -1.325 -10.536 1.00 0.00 N ATOM 496 CA ALA A 30 1.658 -1.231 -9.311 1.00 0.00 C ATOM 497 C ALA A 30 2.934 -0.399 -9.506 1.00 0.00 C ATOM 498 O ALA A 30 3.049 0.661 -8.894 1.00 0.00 O ATOM 499 CB ALA A 30 1.974 -2.663 -8.844 1.00 0.00 C ATOM 0 H ALA A 30 0.810 -2.265 -10.931 1.00 0.00 H new ATOM 0 HA ALA A 30 1.091 -0.702 -8.545 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.575 -2.625 -7.936 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.044 -3.193 -8.641 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.527 -3.186 -9.624 1.00 0.00 H new ATOM 505 N GLU A 31 3.746 -0.772 -10.498 1.00 0.00 N ATOM 506 CA GLU A 31 4.961 -0.032 -10.919 1.00 0.00 C ATOM 507 C GLU A 31 4.608 1.409 -11.342 1.00 0.00 C ATOM 508 O GLU A 31 5.288 2.334 -10.939 1.00 0.00 O ATOM 509 CB GLU A 31 5.742 -0.784 -12.011 1.00 0.00 C ATOM 510 CG GLU A 31 5.089 -0.868 -13.399 1.00 0.00 C ATOM 511 CD GLU A 31 5.633 0.148 -14.402 1.00 0.00 C ATOM 512 OE1 GLU A 31 6.661 -0.198 -15.013 1.00 0.00 O ATOM 513 OE2 GLU A 31 4.994 1.203 -14.588 1.00 0.00 O ATOM 0 H GLU A 31 3.583 -1.614 -11.050 1.00 0.00 H new ATOM 0 HA GLU A 31 5.626 0.034 -10.058 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.715 -0.306 -12.122 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.924 -1.800 -11.660 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.235 -1.872 -13.798 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.014 -0.720 -13.294 1.00 0.00 H new ATOM 520 N SER A 32 3.459 1.586 -11.978 1.00 0.00 N ATOM 521 CA SER A 32 2.959 2.917 -12.391 1.00 0.00 C ATOM 522 C SER A 32 2.438 3.748 -11.215 1.00 0.00 C ATOM 523 O SER A 32 2.881 4.861 -11.009 1.00 0.00 O ATOM 524 CB SER A 32 1.897 2.786 -13.477 1.00 0.00 C ATOM 525 OG SER A 32 1.235 4.036 -13.700 1.00 0.00 O ATOM 0 H SER A 32 2.836 0.818 -12.229 1.00 0.00 H new ATOM 0 HA SER A 32 3.813 3.457 -12.800 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.359 2.445 -14.403 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.167 2.030 -13.188 1.00 0.00 H new ATOM 0 HG SER A 32 0.559 3.928 -14.402 1.00 0.00 H new ATOM 531 N ASN A 33 1.571 3.149 -10.384 1.00 0.00 N ATOM 532 CA ASN A 33 1.022 3.747 -9.150 1.00 0.00 C ATOM 533 C ASN A 33 2.127 4.277 -8.241 1.00 0.00 C ATOM 534 O ASN A 33 2.116 5.455 -7.883 1.00 0.00 O ATOM 535 CB ASN A 33 0.203 2.726 -8.334 1.00 0.00 C ATOM 536 CG ASN A 33 -1.262 2.655 -8.768 1.00 0.00 C ATOM 537 OD1 ASN A 33 -1.979 3.635 -8.851 1.00 0.00 O ATOM 538 ND2 ASN A 33 -1.753 1.462 -9.000 1.00 0.00 N ATOM 0 H ASN A 33 1.220 2.207 -10.554 1.00 0.00 H new ATOM 0 HA ASN A 33 0.380 4.564 -9.479 1.00 0.00 H new ATOM 0 HB2 ASN A 33 0.655 1.740 -8.437 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.251 2.990 -7.278 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -2.736 1.355 -9.250 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.152 0.641 -8.930 1.00 0.00 H new ATOM 545 N SER A 34 3.139 3.440 -8.023 1.00 0.00 N ATOM 546 CA SER A 34 4.323 3.830 -7.252 1.00 0.00 C ATOM 547 C SER A 34 5.128 4.936 -7.962 1.00 0.00 C ATOM 548 O SER A 34 5.405 5.944 -7.335 1.00 0.00 O ATOM 549 CB SER A 34 5.184 2.605 -6.938 1.00 0.00 C ATOM 550 OG SER A 34 5.643 1.993 -8.147 1.00 0.00 O ATOM 0 H SER A 34 3.165 2.481 -8.371 1.00 0.00 H new ATOM 0 HA SER A 34 3.987 4.253 -6.305 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.036 2.899 -6.326 1.00 0.00 H new ATOM 0 HB3 SER A 34 4.607 1.887 -6.356 1.00 0.00 H new ATOM 0 HG SER A 34 4.905 1.502 -8.566 1.00 0.00 H new ATOM 556 N HIS A 35 5.271 4.837 -9.285 1.00 0.00 N ATOM 557 CA HIS A 35 5.928 5.867 -10.122 1.00 0.00 C ATOM 558 C HIS A 35 5.162 7.204 -10.191 1.00 0.00 C ATOM 559 O HIS A 35 5.718 8.233 -10.571 1.00 0.00 O ATOM 560 CB HIS A 35 6.195 5.336 -11.538 1.00 0.00 C ATOM 561 CG HIS A 35 7.303 4.280 -11.658 1.00 0.00 C ATOM 562 ND1 HIS A 35 7.908 3.591 -10.692 1.00 0.00 N flip ATOM 563 CD2 HIS A 35 7.755 3.782 -12.813 1.00 0.00 C flip ATOM 564 CE1 HIS A 35 8.681 2.667 -11.249 1.00 0.00 C flip ATOM 565 NE2 HIS A 35 8.590 2.789 -12.565 1.00 0.00 N flip ATOM 0 H HIS A 35 4.934 4.036 -9.819 1.00 0.00 H new ATOM 0 HA HIS A 35 6.874 6.082 -9.626 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.270 4.910 -11.926 1.00 0.00 H new ATOM 0 HB3 HIS A 35 6.452 6.179 -12.179 1.00 0.00 H new ATOM 0 HD2 HIS A 35 7.480 4.136 -13.796 1.00 0.00 H new ATOM 0 HE1 HIS A 35 9.281 1.941 -10.720 1.00 0.00 H new ATOM 0 HE2 HIS A 35 9.075 2.221 -13.259 1.00 0.00 H new ATOM 574 N HIS A 36 3.877 7.154 -9.842 1.00 0.00 N ATOM 575 CA HIS A 36 2.979 8.314 -9.745 1.00 0.00 C ATOM 576 C HIS A 36 3.027 8.933 -8.333 1.00 0.00 C ATOM 577 O HIS A 36 3.114 10.146 -8.171 1.00 0.00 O ATOM 578 CB HIS A 36 1.549 7.885 -10.101 1.00 0.00 C ATOM 579 CG HIS A 36 1.070 8.531 -11.406 1.00 0.00 C ATOM 580 ND1 HIS A 36 0.158 9.486 -11.489 1.00 0.00 N ATOM 581 CD2 HIS A 36 1.486 8.249 -12.642 1.00 0.00 C ATOM 582 CE1 HIS A 36 0.008 9.814 -12.774 1.00 0.00 C ATOM 583 NE2 HIS A 36 0.823 9.045 -13.483 1.00 0.00 N ATOM 0 H HIS A 36 3.412 6.276 -9.610 1.00 0.00 H new ATOM 0 HA HIS A 36 3.310 9.076 -10.450 1.00 0.00 H new ATOM 0 HB2 HIS A 36 1.508 6.800 -10.196 1.00 0.00 H new ATOM 0 HB3 HIS A 36 0.874 8.160 -9.290 1.00 0.00 H new ATOM 0 HD2 HIS A 36 2.226 7.510 -12.913 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -0.657 10.569 -13.166 1.00 0.00 H new ATOM 0 HE2 HIS A 36 0.926 9.059 -14.498 1.00 0.00 H new ATOM 592 N ALA A 37 2.983 8.061 -7.329 1.00 0.00 N ATOM 593 CA ALA A 37 3.114 8.421 -5.909 1.00 0.00 C ATOM 594 C ALA A 37 4.495 9.013 -5.602 1.00 0.00 C ATOM 595 O ALA A 37 5.502 8.550 -6.150 1.00 0.00 O ATOM 596 CB ALA A 37 2.862 7.184 -5.054 1.00 0.00 C ATOM 0 H ALA A 37 2.853 7.060 -7.477 1.00 0.00 H new ATOM 0 HA ALA A 37 2.375 9.187 -5.675 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.958 7.445 -4.000 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.857 6.808 -5.245 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.591 6.414 -5.305 1.00 0.00 H new ATOM 602 N PRO A 38 4.559 10.083 -4.789 1.00 0.00 N ATOM 603 CA PRO A 38 5.823 10.722 -4.403 1.00 0.00 C ATOM 604 C PRO A 38 6.606 9.818 -3.464 1.00 0.00 C ATOM 605 O PRO A 38 6.074 8.890 -2.855 1.00 0.00 O ATOM 606 CB PRO A 38 5.420 12.044 -3.734 1.00 0.00 C ATOM 607 CG PRO A 38 4.036 11.759 -3.160 1.00 0.00 C ATOM 608 CD PRO A 38 3.425 10.778 -4.142 1.00 0.00 C ATOM 0 HA PRO A 38 6.479 10.904 -5.255 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.126 12.328 -2.953 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.393 12.863 -4.452 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.099 11.334 -2.158 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.441 12.669 -3.083 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.774 10.069 -3.630 1.00 0.00 H new ATOM 0 HD3 PRO A 38 2.813 11.296 -4.880 1.00 0.00 H new ATOM 616 N LEU A 39 7.899 10.077 -3.401 1.00 0.00 N ATOM 617 CA LEU A 39 8.804 9.305 -2.559 1.00 0.00 C ATOM 618 C LEU A 39 8.997 9.918 -1.177 1.00 0.00 C ATOM 619 O LEU A 39 9.950 10.663 -0.913 1.00 0.00 O ATOM 620 CB LEU A 39 10.118 9.175 -3.327 1.00 0.00 C ATOM 621 CG LEU A 39 10.045 8.015 -4.318 1.00 0.00 C ATOM 622 CD1 LEU A 39 11.347 8.018 -5.109 1.00 0.00 C ATOM 623 CD2 LEU A 39 9.827 6.674 -3.582 1.00 0.00 C ATOM 0 H LEU A 39 8.353 10.823 -3.928 1.00 0.00 H new ATOM 0 HA LEU A 39 8.379 8.322 -2.357 1.00 0.00 H new ATOM 0 HB2 LEU A 39 10.329 10.103 -3.859 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.940 9.014 -2.629 1.00 0.00 H new ATOM 0 HG LEU A 39 9.197 8.134 -4.993 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.336 7.202 -5.831 1.00 0.00 H new ATOM 0 HD12 LEU A 39 11.451 8.967 -5.636 1.00 0.00 H new ATOM 0 HD13 LEU A 39 12.187 7.888 -4.427 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.778 5.864 -4.309 1.00 0.00 H new ATOM 0 HD22 LEU A 39 10.655 6.497 -2.896 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.893 6.714 -3.021 1.00 0.00 H new ATOM 635 N SER A 40 8.031 9.619 -0.322 1.00 0.00 N ATOM 636 CA SER A 40 7.944 10.193 1.026 1.00 0.00 C ATOM 637 C SER A 40 6.991 9.395 1.921 1.00 0.00 C ATOM 638 O SER A 40 5.846 9.133 1.561 1.00 0.00 O ATOM 639 CB SER A 40 7.512 11.663 0.983 1.00 0.00 C ATOM 640 OG SER A 40 6.391 11.840 0.099 1.00 0.00 O ATOM 0 H SER A 40 7.277 8.967 -0.539 1.00 0.00 H new ATOM 0 HA SER A 40 8.945 10.137 1.455 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.247 11.998 1.986 1.00 0.00 H new ATOM 0 HB3 SER A 40 8.345 12.282 0.650 1.00 0.00 H new ATOM 0 HG SER A 40 5.747 11.115 0.238 1.00 0.00 H new ATOM 646 N ASP A 41 7.535 8.971 3.056 1.00 0.00 N ATOM 647 CA ASP A 41 6.777 8.200 4.059 1.00 0.00 C ATOM 648 C ASP A 41 5.862 9.175 4.807 1.00 0.00 C ATOM 649 O ASP A 41 6.355 10.012 5.555 1.00 0.00 O ATOM 650 CB ASP A 41 7.715 7.493 5.035 1.00 0.00 C ATOM 651 CG ASP A 41 6.996 7.097 6.329 1.00 0.00 C ATOM 652 OD1 ASP A 41 6.010 6.336 6.241 1.00 0.00 O ATOM 653 OD2 ASP A 41 7.340 7.693 7.373 1.00 0.00 O ATOM 0 H ASP A 41 8.506 9.146 3.314 1.00 0.00 H new ATOM 0 HA ASP A 41 6.188 7.428 3.563 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.128 6.602 4.562 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.554 8.147 5.271 1.00 0.00 H new ATOM 658 N GLY A 42 4.567 8.872 4.713 1.00 0.00 N ATOM 659 CA GLY A 42 3.523 9.633 5.420 1.00 0.00 C ATOM 660 C GLY A 42 3.691 11.146 5.216 1.00 0.00 C ATOM 661 O GLY A 42 4.140 11.849 6.128 1.00 0.00 O ATOM 0 H GLY A 42 4.209 8.100 4.151 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.541 9.324 5.062 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.561 9.402 6.485 1.00 0.00 H new ATOM 665 N LYS A 43 3.489 11.566 3.975 1.00 0.00 N ATOM 666 CA LYS A 43 3.648 12.989 3.595 1.00 0.00 C ATOM 667 C LYS A 43 2.717 13.379 2.423 1.00 0.00 C ATOM 668 O LYS A 43 3.003 14.235 1.586 1.00 0.00 O ATOM 669 CB LYS A 43 5.127 13.258 3.312 1.00 0.00 C ATOM 670 CG LYS A 43 5.448 14.750 3.312 1.00 0.00 C ATOM 671 CD LYS A 43 6.949 14.991 3.319 1.00 0.00 C ATOM 672 CE LYS A 43 7.255 16.245 2.496 1.00 0.00 C ATOM 673 NZ LYS A 43 8.207 17.097 3.208 1.00 0.00 N ATOM 0 H LYS A 43 3.215 10.954 3.206 1.00 0.00 H new ATOM 0 HA LYS A 43 3.338 13.630 4.421 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.737 12.756 4.063 1.00 0.00 H new ATOM 0 HB3 LYS A 43 5.395 12.830 2.346 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.006 15.219 2.433 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.998 15.221 4.186 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.306 15.115 4.341 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.471 14.130 2.902 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.664 15.961 1.526 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.335 16.797 2.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.407 17.945 2.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 7.802 17.381 4.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 9.090 16.572 3.369 1.00 0.00 H new ATOM 687 N THR A 44 1.550 12.769 2.466 1.00 0.00 N ATOM 688 CA THR A 44 0.539 12.961 1.407 1.00 0.00 C ATOM 689 C THR A 44 -0.831 12.859 2.060 1.00 0.00 C ATOM 690 O THR A 44 -0.954 12.522 3.236 1.00 0.00 O ATOM 691 CB THR A 44 0.721 11.905 0.303 1.00 0.00 C ATOM 692 OG1 THR A 44 2.084 11.472 0.266 1.00 0.00 O ATOM 693 CG2 THR A 44 0.408 12.499 -1.069 1.00 0.00 C ATOM 0 H THR A 44 1.264 12.136 3.213 1.00 0.00 H new ATOM 0 HA THR A 44 0.647 13.937 0.933 1.00 0.00 H new ATOM 0 HB THR A 44 0.047 11.078 0.524 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.117 10.512 0.074 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.543 11.736 -1.835 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.623 12.852 -1.086 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.081 13.334 -1.266 1.00 0.00 H new ATOM 701 N GLY A 45 -1.846 13.163 1.264 1.00 0.00 N ATOM 702 CA GLY A 45 -3.245 13.153 1.704 1.00 0.00 C ATOM 703 C GLY A 45 -3.654 11.882 2.472 1.00 0.00 C ATOM 704 O GLY A 45 -3.677 11.869 3.697 1.00 0.00 O ATOM 0 H GLY A 45 -1.727 13.426 0.286 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.421 14.021 2.340 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.890 13.261 0.832 1.00 0.00 H new ATOM 708 N SER A 46 -3.765 10.791 1.730 1.00 0.00 N ATOM 709 CA SER A 46 -4.070 9.478 2.350 1.00 0.00 C ATOM 710 C SER A 46 -2.889 8.922 3.175 1.00 0.00 C ATOM 711 O SER A 46 -2.945 7.759 3.586 1.00 0.00 O ATOM 712 CB SER A 46 -4.424 8.472 1.258 1.00 0.00 C ATOM 713 OG SER A 46 -3.208 8.098 0.597 1.00 0.00 O ATOM 0 H SER A 46 -3.654 10.770 0.716 1.00 0.00 H new ATOM 0 HA SER A 46 -4.908 9.630 3.030 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.910 7.596 1.688 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.126 8.910 0.548 1.00 0.00 H new ATOM 0 HG SER A 46 -2.788 7.355 1.079 1.00 0.00 H new ATOM 719 N SER A 47 -1.795 9.686 3.236 1.00 0.00 N ATOM 720 CA SER A 47 -0.521 9.402 3.954 1.00 0.00 C ATOM 721 C SER A 47 0.453 8.599 3.075 1.00 0.00 C ATOM 722 O SER A 47 1.660 8.836 3.069 1.00 0.00 O ATOM 723 CB SER A 47 -0.803 8.727 5.302 1.00 0.00 C ATOM 724 OG SER A 47 0.317 8.699 6.178 1.00 0.00 O ATOM 0 H SER A 47 -1.760 10.585 2.756 1.00 0.00 H new ATOM 0 HA SER A 47 -0.023 10.348 4.168 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.624 9.249 5.794 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.137 7.705 5.123 1.00 0.00 H new ATOM 0 HG SER A 47 0.066 8.257 7.016 1.00 0.00 H new ATOM 730 N TYR A 48 -0.155 7.863 2.159 1.00 0.00 N ATOM 731 CA TYR A 48 0.521 7.016 1.158 1.00 0.00 C ATOM 732 C TYR A 48 1.367 7.831 0.154 1.00 0.00 C ATOM 733 O TYR A 48 0.918 8.890 -0.301 1.00 0.00 O ATOM 734 CB TYR A 48 -0.524 6.163 0.446 1.00 0.00 C ATOM 735 CG TYR A 48 -1.363 5.321 1.409 1.00 0.00 C ATOM 736 CD1 TYR A 48 -0.778 4.544 2.445 1.00 0.00 C ATOM 737 CD2 TYR A 48 -2.757 5.365 1.228 1.00 0.00 C ATOM 738 CE1 TYR A 48 -1.621 3.806 3.303 1.00 0.00 C ATOM 739 CE2 TYR A 48 -3.598 4.650 2.080 1.00 0.00 C ATOM 740 CZ TYR A 48 -3.026 3.870 3.101 1.00 0.00 C ATOM 741 OH TYR A 48 -3.846 3.121 3.875 1.00 0.00 O ATOM 0 H TYR A 48 -1.171 7.830 2.079 1.00 0.00 H new ATOM 0 HA TYR A 48 1.229 6.371 1.679 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -1.184 6.812 -0.130 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -0.025 5.504 -0.264 1.00 0.00 H new ATOM 0 HD1 TYR A 48 0.294 4.519 2.574 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -3.177 5.954 0.427 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -1.206 3.204 4.098 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.670 4.694 1.958 1.00 0.00 H new ATOM 0 HH TYR A 48 -4.720 3.559 3.944 1.00 0.00 H new ATOM 751 N PRO A 49 2.511 7.285 -0.261 1.00 0.00 N ATOM 752 CA PRO A 49 3.011 5.954 0.152 1.00 0.00 C ATOM 753 C PRO A 49 3.660 5.980 1.526 1.00 0.00 C ATOM 754 O PRO A 49 4.410 6.881 1.887 1.00 0.00 O ATOM 755 CB PRO A 49 3.961 5.530 -0.950 1.00 0.00 C ATOM 756 CG PRO A 49 4.478 6.843 -1.512 1.00 0.00 C ATOM 757 CD PRO A 49 3.354 7.861 -1.319 1.00 0.00 C ATOM 0 HA PRO A 49 2.201 5.234 0.267 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.773 4.914 -0.563 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.451 4.942 -1.713 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.383 7.159 -0.993 1.00 0.00 H new ATOM 0 HG3 PRO A 49 4.734 6.741 -2.567 1.00 0.00 H new ATOM 0 HD2 PRO A 49 3.747 8.835 -1.027 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.790 8.008 -2.240 1.00 0.00 H new ATOM 765 N HIS A 50 3.118 5.105 2.360 1.00 0.00 N ATOM 766 CA HIS A 50 3.645 4.976 3.730 1.00 0.00 C ATOM 767 C HIS A 50 4.842 4.022 3.729 1.00 0.00 C ATOM 768 O HIS A 50 5.080 3.292 2.765 1.00 0.00 O ATOM 769 CB HIS A 50 2.515 4.566 4.703 1.00 0.00 C ATOM 770 CG HIS A 50 2.130 3.080 4.782 1.00 0.00 C ATOM 771 ND1 HIS A 50 1.520 2.512 5.825 1.00 0.00 N ATOM 772 CD2 HIS A 50 2.448 2.086 3.963 1.00 0.00 C ATOM 773 CE1 HIS A 50 1.463 1.203 5.638 1.00 0.00 C ATOM 774 NE2 HIS A 50 2.054 0.943 4.487 1.00 0.00 N ATOM 0 H HIS A 50 2.339 4.488 2.133 1.00 0.00 H new ATOM 0 HA HIS A 50 4.012 5.937 4.091 1.00 0.00 H new ATOM 0 HB2 HIS A 50 2.803 4.889 5.703 1.00 0.00 H new ATOM 0 HB3 HIS A 50 1.621 5.128 4.431 1.00 0.00 H new ATOM 0 HD1 HIS A 50 1.155 3.009 6.638 1.00 0.00 H new ATOM 0 HD2 HIS A 50 2.952 2.196 3.014 1.00 0.00 H new ATOM 0 HE1 HIS A 50 1.015 0.481 6.305 1.00 0.00 H new ATOM 783 N TRP A 51 5.556 4.033 4.839 1.00 0.00 N ATOM 784 CA TRP A 51 6.642 3.095 5.102 1.00 0.00 C ATOM 785 C TRP A 51 6.048 1.730 5.448 1.00 0.00 C ATOM 786 O TRP A 51 4.972 1.581 6.030 1.00 0.00 O ATOM 787 CB TRP A 51 7.535 3.615 6.233 1.00 0.00 C ATOM 788 CG TRP A 51 8.570 2.624 6.786 1.00 0.00 C ATOM 789 CD1 TRP A 51 9.477 1.927 6.107 1.00 0.00 C ATOM 790 CD2 TRP A 51 8.727 2.327 8.126 1.00 0.00 C ATOM 791 NE1 TRP A 51 10.187 1.167 6.942 1.00 0.00 N ATOM 792 CE2 TRP A 51 9.780 1.402 8.191 1.00 0.00 C ATOM 793 CE3 TRP A 51 8.113 2.821 9.301 1.00 0.00 C ATOM 794 CZ2 TRP A 51 10.278 0.972 9.446 1.00 0.00 C ATOM 795 CZ3 TRP A 51 8.612 2.384 10.543 1.00 0.00 C ATOM 796 CH2 TRP A 51 9.675 1.467 10.612 1.00 0.00 C ATOM 0 H TRP A 51 5.400 4.700 5.595 1.00 0.00 H new ATOM 0 HA TRP A 51 7.265 2.994 4.213 1.00 0.00 H new ATOM 0 HB2 TRP A 51 8.063 4.499 5.875 1.00 0.00 H new ATOM 0 HB3 TRP A 51 6.895 3.937 7.055 1.00 0.00 H new ATOM 0 HD1 TRP A 51 9.618 1.970 5.037 1.00 0.00 H new ATOM 0 HE1 TRP A 51 10.921 0.513 6.670 1.00 0.00 H new ATOM 0 HE3 TRP A 51 7.286 3.513 9.247 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 11.104 0.278 9.504 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 8.172 2.759 11.455 1.00 0.00 H new ATOM 0 HH2 TRP A 51 10.033 1.139 11.577 1.00 0.00 H new ATOM 807 N PHE A 52 6.833 0.754 5.048 1.00 0.00 N ATOM 808 CA PHE A 52 6.550 -0.664 5.242 1.00 0.00 C ATOM 809 C PHE A 52 7.699 -1.254 6.047 1.00 0.00 C ATOM 810 O PHE A 52 8.726 -1.691 5.517 1.00 0.00 O ATOM 811 CB PHE A 52 6.464 -1.288 3.851 1.00 0.00 C ATOM 812 CG PHE A 52 5.951 -2.723 3.899 1.00 0.00 C ATOM 813 CD1 PHE A 52 4.832 -3.048 4.704 1.00 0.00 C ATOM 814 CD2 PHE A 52 6.701 -3.709 3.240 1.00 0.00 C ATOM 815 CE1 PHE A 52 4.477 -4.398 4.883 1.00 0.00 C ATOM 816 CE2 PHE A 52 6.344 -5.061 3.394 1.00 0.00 C ATOM 817 CZ PHE A 52 5.252 -5.387 4.242 1.00 0.00 C ATOM 0 H PHE A 52 7.714 0.923 4.563 1.00 0.00 H new ATOM 0 HA PHE A 52 5.619 -0.847 5.779 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.804 -0.688 3.225 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.449 -1.271 3.384 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.256 -2.266 5.177 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.543 -3.433 2.622 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.631 -4.670 5.497 1.00 0.00 H new ATOM 0 HE2 PHE A 52 6.890 -5.836 2.877 1.00 0.00 H new ATOM 0 HZ PHE A 52 5.007 -6.427 4.401 1.00 0.00 H new ATOM 827 N THR A 53 7.494 -1.179 7.360 1.00 0.00 N ATOM 828 CA THR A 53 8.359 -1.811 8.374 1.00 0.00 C ATOM 829 C THR A 53 8.815 -3.192 7.907 1.00 0.00 C ATOM 830 O THR A 53 9.947 -3.565 8.123 1.00 0.00 O ATOM 831 CB THR A 53 7.652 -1.981 9.730 1.00 0.00 C ATOM 832 OG1 THR A 53 6.591 -2.934 9.643 1.00 0.00 O ATOM 833 CG2 THR A 53 7.035 -0.689 10.268 1.00 0.00 C ATOM 0 H THR A 53 6.709 -0.669 7.765 1.00 0.00 H new ATOM 0 HA THR A 53 9.211 -1.143 8.502 1.00 0.00 H new ATOM 0 HB THR A 53 8.439 -2.312 10.407 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.160 -3.024 10.518 1.00 0.00 H new ATOM 0 HG21 THR A 53 6.555 -0.887 11.226 1.00 0.00 H new ATOM 0 HG22 THR A 53 7.816 0.059 10.401 1.00 0.00 H new ATOM 0 HG23 THR A 53 6.294 -0.318 9.560 1.00 0.00 H new ATOM 841 N ASN A 54 7.900 -3.930 7.265 1.00 0.00 N ATOM 842 CA ASN A 54 8.118 -5.293 6.746 1.00 0.00 C ATOM 843 C ASN A 54 8.579 -6.217 7.897 1.00 0.00 C ATOM 844 O ASN A 54 9.548 -6.959 7.768 1.00 0.00 O ATOM 845 CB ASN A 54 9.118 -5.252 5.584 1.00 0.00 C ATOM 846 CG ASN A 54 9.077 -6.526 4.730 1.00 0.00 C ATOM 847 OD1 ASN A 54 8.076 -7.226 4.645 1.00 0.00 O ATOM 848 ND2 ASN A 54 10.176 -6.847 4.095 1.00 0.00 N ATOM 0 H ASN A 54 6.956 -3.587 7.085 1.00 0.00 H new ATOM 0 HA ASN A 54 7.187 -5.703 6.353 1.00 0.00 H new ATOM 0 HB2 ASN A 54 8.903 -4.389 4.954 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.125 -5.115 5.979 1.00 0.00 H new ATOM 0 HD21 ASN A 54 10.206 -7.689 3.521 1.00 0.00 H new ATOM 0 HD22 ASN A 54 11.003 -6.255 4.175 1.00 0.00 H new ATOM 855 N GLY A 55 8.071 -5.900 9.088 1.00 0.00 N ATOM 856 CA GLY A 55 8.452 -6.599 10.325 1.00 0.00 C ATOM 857 C GLY A 55 9.492 -5.823 11.159 1.00 0.00 C ATOM 858 O GLY A 55 9.502 -5.931 12.384 1.00 0.00 O ATOM 0 H GLY A 55 7.387 -5.156 9.227 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.561 -6.767 10.930 1.00 0.00 H new ATOM 0 HA3 GLY A 55 8.855 -7.580 10.072 1.00 0.00 H new ATOM 862 N TYR A 56 10.416 -5.149 10.480 1.00 0.00 N ATOM 863 CA TYR A 56 11.452 -4.320 11.123 1.00 0.00 C ATOM 864 C TYR A 56 10.824 -3.288 12.069 1.00 0.00 C ATOM 865 O TYR A 56 9.627 -3.022 12.042 1.00 0.00 O ATOM 866 CB TYR A 56 12.328 -3.616 10.071 1.00 0.00 C ATOM 867 CG TYR A 56 12.889 -4.560 8.997 1.00 0.00 C ATOM 868 CD1 TYR A 56 13.698 -5.656 9.350 1.00 0.00 C ATOM 869 CD2 TYR A 56 12.579 -4.303 7.648 1.00 0.00 C ATOM 870 CE1 TYR A 56 14.230 -6.490 8.349 1.00 0.00 C ATOM 871 CE2 TYR A 56 13.082 -5.141 6.635 1.00 0.00 C ATOM 872 CZ TYR A 56 13.916 -6.204 7.000 1.00 0.00 C ATOM 873 OH TYR A 56 14.469 -6.969 6.024 1.00 0.00 O ATOM 0 H TYR A 56 10.474 -5.157 9.462 1.00 0.00 H new ATOM 0 HA TYR A 56 12.086 -4.983 11.711 1.00 0.00 H new ATOM 0 HB2 TYR A 56 11.740 -2.837 9.585 1.00 0.00 H new ATOM 0 HB3 TYR A 56 13.158 -3.121 10.576 1.00 0.00 H new ATOM 0 HD1 TYR A 56 13.911 -5.857 10.390 1.00 0.00 H new ATOM 0 HD2 TYR A 56 11.954 -3.461 7.390 1.00 0.00 H new ATOM 0 HE1 TYR A 56 14.862 -7.327 8.605 1.00 0.00 H new ATOM 0 HE2 TYR A 56 12.830 -4.968 5.599 1.00 0.00 H new ATOM 0 HH TYR A 56 15.224 -6.491 5.622 1.00 0.00 H new ATOM 883 N ASP A 57 11.663 -2.744 12.937 1.00 0.00 N ATOM 884 CA ASP A 57 11.250 -1.692 13.894 1.00 0.00 C ATOM 885 C ASP A 57 11.577 -0.272 13.425 1.00 0.00 C ATOM 886 O ASP A 57 10.990 0.695 13.921 1.00 0.00 O ATOM 887 CB ASP A 57 11.906 -1.972 15.257 1.00 0.00 C ATOM 888 CG ASP A 57 10.874 -2.393 16.319 1.00 0.00 C ATOM 889 OD1 ASP A 57 10.117 -1.505 16.748 1.00 0.00 O ATOM 890 OD2 ASP A 57 10.974 -3.559 16.757 1.00 0.00 O ATOM 0 H ASP A 57 12.646 -3.007 13.010 1.00 0.00 H new ATOM 0 HA ASP A 57 10.164 -1.734 13.973 1.00 0.00 H new ATOM 0 HB2 ASP A 57 12.652 -2.758 15.145 1.00 0.00 H new ATOM 0 HB3 ASP A 57 12.432 -1.080 15.596 1.00 0.00 H new ATOM 895 N GLY A 58 12.497 -0.190 12.470 1.00 0.00 N ATOM 896 CA GLY A 58 13.003 1.086 11.922 1.00 0.00 C ATOM 897 C GLY A 58 14.262 0.895 11.050 1.00 0.00 C ATOM 898 O GLY A 58 14.365 1.452 9.965 1.00 0.00 O ATOM 0 H GLY A 58 12.924 -1.012 12.042 1.00 0.00 H new ATOM 0 HA2 GLY A 58 12.221 1.558 11.327 1.00 0.00 H new ATOM 0 HA3 GLY A 58 13.233 1.765 12.743 1.00 0.00 H new ATOM 902 N ASP A 59 15.158 0.074 11.591 1.00 0.00 N ATOM 903 CA ASP A 59 16.442 -0.275 10.948 1.00 0.00 C ATOM 904 C ASP A 59 16.355 -1.612 10.182 1.00 0.00 C ATOM 905 O ASP A 59 15.983 -1.655 9.024 1.00 0.00 O ATOM 906 CB ASP A 59 17.545 -0.302 12.022 1.00 0.00 C ATOM 907 CG ASP A 59 18.403 0.969 12.049 1.00 0.00 C ATOM 908 OD1 ASP A 59 17.906 1.965 12.610 1.00 0.00 O ATOM 909 OD2 ASP A 59 19.570 0.842 11.643 1.00 0.00 O ATOM 0 H ASP A 59 15.021 -0.377 12.496 1.00 0.00 H new ATOM 0 HA ASP A 59 16.686 0.483 10.204 1.00 0.00 H new ATOM 0 HB2 ASP A 59 17.085 -0.441 13.000 1.00 0.00 H new ATOM 0 HB3 ASP A 59 18.190 -1.163 11.847 1.00 0.00 H new ATOM 914 N GLY A 60 16.589 -2.702 10.904 1.00 0.00 N ATOM 915 CA GLY A 60 16.579 -4.059 10.340 1.00 0.00 C ATOM 916 C GLY A 60 16.459 -5.142 11.416 1.00 0.00 C ATOM 917 O GLY A 60 16.850 -6.286 11.218 1.00 0.00 O ATOM 0 H GLY A 60 16.793 -2.676 11.903 1.00 0.00 H new ATOM 0 HA2 GLY A 60 15.748 -4.152 9.641 1.00 0.00 H new ATOM 0 HA3 GLY A 60 17.494 -4.218 9.770 1.00 0.00 H new ATOM 921 N LYS A 61 15.879 -4.744 12.549 1.00 0.00 N ATOM 922 CA LYS A 61 15.658 -5.628 13.693 1.00 0.00 C ATOM 923 C LYS A 61 14.162 -5.800 13.910 1.00 0.00 C ATOM 924 O LYS A 61 13.392 -4.852 13.772 1.00 0.00 O ATOM 925 CB LYS A 61 16.295 -5.046 14.952 1.00 0.00 C ATOM 926 CG LYS A 61 17.688 -5.627 15.205 1.00 0.00 C ATOM 927 CD LYS A 61 17.642 -6.676 16.317 1.00 0.00 C ATOM 928 CE LYS A 61 18.926 -6.549 17.148 1.00 0.00 C ATOM 929 NZ LYS A 61 19.527 -7.875 17.342 1.00 0.00 N ATOM 0 H LYS A 61 15.547 -3.791 12.699 1.00 0.00 H new ATOM 0 HA LYS A 61 16.118 -6.595 13.488 1.00 0.00 H new ATOM 0 HB2 LYS A 61 16.365 -3.962 14.856 1.00 0.00 H new ATOM 0 HB3 LYS A 61 15.655 -5.249 15.811 1.00 0.00 H new ATOM 0 HG2 LYS A 61 18.072 -6.077 14.289 1.00 0.00 H new ATOM 0 HG3 LYS A 61 18.376 -4.828 15.480 1.00 0.00 H new ATOM 0 HD2 LYS A 61 16.765 -6.525 16.946 1.00 0.00 H new ATOM 0 HD3 LYS A 61 17.561 -7.677 15.893 1.00 0.00 H new ATOM 0 HE2 LYS A 61 19.633 -5.890 16.644 1.00 0.00 H new ATOM 0 HE3 LYS A 61 18.702 -6.097 18.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 20.396 -7.783 17.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 18.854 -8.491 17.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 19.757 -8.291 16.417 1.00 0.00 H new ATOM 943 N LEU A 62 13.818 -7.055 14.170 1.00 0.00 N ATOM 944 CA LEU A 62 12.430 -7.497 14.336 1.00 0.00 C ATOM 945 C LEU A 62 12.262 -8.103 15.749 1.00 0.00 C ATOM 946 O LEU A 62 13.255 -8.615 16.291 1.00 0.00 O ATOM 947 CB LEU A 62 12.084 -8.559 13.286 1.00 0.00 C ATOM 948 CG LEU A 62 12.424 -8.112 11.870 1.00 0.00 C ATOM 949 CD1 LEU A 62 13.680 -8.834 11.413 1.00 0.00 C ATOM 950 CD2 LEU A 62 11.327 -8.505 10.894 1.00 0.00 C ATOM 0 H LEU A 62 14.499 -7.807 14.274 1.00 0.00 H new ATOM 0 HA LEU A 62 11.763 -6.644 14.210 1.00 0.00 H new ATOM 0 HB2 LEU A 62 12.624 -9.479 13.513 1.00 0.00 H new ATOM 0 HB3 LEU A 62 11.021 -8.791 13.345 1.00 0.00 H new ATOM 0 HG LEU A 62 12.548 -7.029 11.884 1.00 0.00 H new ATOM 0 HD11 LEU A 62 13.932 -8.521 10.400 1.00 0.00 H new ATOM 0 HD12 LEU A 62 14.504 -8.590 12.083 1.00 0.00 H new ATOM 0 HD13 LEU A 62 13.507 -9.910 11.427 1.00 0.00 H new ATOM 0 HD21 LEU A 62 11.596 -8.173 9.891 1.00 0.00 H new ATOM 0 HD22 LEU A 62 11.207 -9.588 10.898 1.00 0.00 H new ATOM 0 HD23 LEU A 62 10.390 -8.035 11.192 1.00 0.00 H new ATOM 962 N PRO A 63 11.105 -7.935 16.378 1.00 0.00 N ATOM 963 CA PRO A 63 10.825 -8.524 17.699 1.00 0.00 C ATOM 964 C PRO A 63 10.662 -10.049 17.635 1.00 0.00 C ATOM 965 O PRO A 63 10.950 -10.685 16.615 1.00 0.00 O ATOM 966 CB PRO A 63 9.571 -7.787 18.204 1.00 0.00 C ATOM 967 CG PRO A 63 8.873 -7.296 16.938 1.00 0.00 C ATOM 968 CD PRO A 63 10.005 -7.059 15.937 1.00 0.00 C ATOM 0 HA PRO A 63 11.655 -8.393 18.393 1.00 0.00 H new ATOM 0 HB2 PRO A 63 8.926 -8.451 18.779 1.00 0.00 H new ATOM 0 HB3 PRO A 63 9.836 -6.956 18.857 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.163 -8.035 16.565 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.312 -6.381 17.125 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.690 -7.304 14.922 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.313 -6.013 15.932 1.00 0.00 H new ATOM 976 N LYS A 64 10.195 -10.628 18.744 1.00 0.00 N ATOM 977 CA LYS A 64 10.002 -12.090 18.841 1.00 0.00 C ATOM 978 C LYS A 64 8.594 -12.454 18.337 1.00 0.00 C ATOM 979 O LYS A 64 7.585 -12.262 19.009 1.00 0.00 O ATOM 980 CB LYS A 64 10.261 -12.562 20.280 1.00 0.00 C ATOM 981 CG LYS A 64 10.322 -14.082 20.462 1.00 0.00 C ATOM 982 CD LYS A 64 8.942 -14.717 20.636 1.00 0.00 C ATOM 983 CE LYS A 64 8.619 -15.733 19.534 1.00 0.00 C ATOM 984 NZ LYS A 64 7.163 -15.854 19.404 1.00 0.00 N ATOM 0 H LYS A 64 9.942 -10.115 19.589 1.00 0.00 H new ATOM 0 HA LYS A 64 10.720 -12.610 18.207 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.202 -12.132 20.624 1.00 0.00 H new ATOM 0 HB3 LYS A 64 9.476 -12.165 20.923 1.00 0.00 H new ATOM 0 HG2 LYS A 64 10.814 -14.527 19.597 1.00 0.00 H new ATOM 0 HG3 LYS A 64 10.935 -14.314 21.333 1.00 0.00 H new ATOM 0 HD2 LYS A 64 8.893 -15.211 21.606 1.00 0.00 H new ATOM 0 HD3 LYS A 64 8.183 -13.934 20.638 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.056 -15.413 18.588 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.057 -16.702 19.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 6.937 -16.542 18.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 6.760 -16.177 20.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 6.759 -14.929 19.156 1.00 0.00 H new ATOM 998 N GLY A 65 8.600 -12.868 17.074 1.00 0.00 N ATOM 999 CA GLY A 65 7.389 -13.311 16.361 1.00 0.00 C ATOM 1000 C GLY A 65 7.062 -12.402 15.177 1.00 0.00 C ATOM 1001 O GLY A 65 5.919 -11.987 14.977 1.00 0.00 O ATOM 0 H GLY A 65 9.446 -12.909 16.506 1.00 0.00 H new ATOM 0 HA2 GLY A 65 7.529 -14.332 16.007 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.546 -13.326 17.052 1.00 0.00 H new ATOM 1005 N ARG A 66 8.093 -12.141 14.379 1.00 0.00 N ATOM 1006 CA ARG A 66 7.960 -11.323 13.175 1.00 0.00 C ATOM 1007 C ARG A 66 8.256 -12.127 11.909 1.00 0.00 C ATOM 1008 O ARG A 66 8.894 -13.184 11.965 1.00 0.00 O ATOM 1009 CB ARG A 66 8.911 -10.144 13.282 1.00 0.00 C ATOM 1010 CG ARG A 66 8.163 -8.851 12.967 1.00 0.00 C ATOM 1011 CD ARG A 66 7.221 -8.461 14.107 1.00 0.00 C ATOM 1012 NE ARG A 66 5.813 -8.622 13.744 1.00 0.00 N ATOM 1013 CZ ARG A 66 4.785 -8.409 14.560 1.00 0.00 C ATOM 1014 NH1 ARG A 66 4.944 -8.069 15.827 1.00 0.00 N ATOM 1015 NH2 ARG A 66 3.557 -8.550 14.094 1.00 0.00 N ATOM 0 H ARG A 66 9.038 -12.487 14.546 1.00 0.00 H new ATOM 0 HA ARG A 66 6.930 -10.973 13.100 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.334 -10.096 14.285 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.744 -10.272 12.590 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.879 -8.048 12.793 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.592 -8.974 12.047 1.00 0.00 H new ATOM 0 HD2 ARG A 66 7.440 -9.073 14.982 1.00 0.00 H new ATOM 0 HD3 ARG A 66 7.405 -7.424 14.389 1.00 0.00 H new ATOM 0 HE ARG A 66 5.604 -8.921 12.791 1.00 0.00 H new ATOM 0 HH11 ARG A 66 5.882 -7.961 16.212 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.128 -7.915 16.420 1.00 0.00 H new ATOM 0 HH21 ARG A 66 3.408 -8.819 13.121 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.757 -8.390 14.707 1.00 0.00 H new ATOM 1029 N THR A 67 7.741 -11.612 10.801 1.00 0.00 N ATOM 1030 CA THR A 67 7.908 -12.259 9.489 1.00 0.00 C ATOM 1031 C THR A 67 8.103 -11.243 8.347 1.00 0.00 C ATOM 1032 O THR A 67 7.137 -10.640 7.873 1.00 0.00 O ATOM 1033 CB THR A 67 6.769 -13.270 9.238 1.00 0.00 C ATOM 1034 OG1 THR A 67 7.117 -14.035 8.081 1.00 0.00 O ATOM 1035 CG2 THR A 67 5.359 -12.675 9.119 1.00 0.00 C ATOM 0 H THR A 67 7.202 -10.747 10.776 1.00 0.00 H new ATOM 0 HA THR A 67 8.837 -12.828 9.505 1.00 0.00 H new ATOM 0 HB THR A 67 6.692 -13.894 10.128 1.00 0.00 H new ATOM 0 HG1 THR A 67 6.411 -14.689 7.897 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.640 -13.475 8.944 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.105 -12.154 10.042 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.330 -11.972 8.286 1.00 0.00 H new ATOM 1043 N PRO A 68 9.358 -10.896 8.058 1.00 0.00 N ATOM 1044 CA PRO A 68 9.688 -9.943 6.996 1.00 0.00 C ATOM 1045 C PRO A 68 9.455 -10.590 5.627 1.00 0.00 C ATOM 1046 O PRO A 68 10.189 -11.496 5.233 1.00 0.00 O ATOM 1047 CB PRO A 68 11.141 -9.548 7.232 1.00 0.00 C ATOM 1048 CG PRO A 68 11.744 -10.728 7.983 1.00 0.00 C ATOM 1049 CD PRO A 68 10.582 -11.353 8.765 1.00 0.00 C ATOM 0 HA PRO A 68 9.058 -9.053 7.011 1.00 0.00 H new ATOM 0 HB2 PRO A 68 11.661 -9.370 6.291 1.00 0.00 H new ATOM 0 HB3 PRO A 68 11.212 -8.629 7.814 1.00 0.00 H new ATOM 0 HG2 PRO A 68 12.185 -11.448 7.294 1.00 0.00 H new ATOM 0 HG3 PRO A 68 12.538 -10.401 8.654 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.651 -12.441 8.773 1.00 0.00 H new ATOM 0 HD3 PRO A 68 10.584 -11.026 9.805 1.00 0.00 H new ATOM 1057 N ILE A 69 8.331 -10.223 5.007 1.00 0.00 N ATOM 1058 CA ILE A 69 7.995 -10.693 3.647 1.00 0.00 C ATOM 1059 C ILE A 69 9.241 -10.593 2.755 1.00 0.00 C ATOM 1060 O ILE A 69 9.856 -9.530 2.610 1.00 0.00 O ATOM 1061 CB ILE A 69 6.784 -9.952 3.056 1.00 0.00 C ATOM 1062 CG1 ILE A 69 5.520 -10.401 3.805 1.00 0.00 C ATOM 1063 CG2 ILE A 69 6.658 -10.141 1.540 1.00 0.00 C ATOM 1064 CD1 ILE A 69 4.255 -9.637 3.416 1.00 0.00 C ATOM 0 H ILE A 69 7.634 -9.602 5.419 1.00 0.00 H new ATOM 0 HA ILE A 69 7.691 -11.738 3.701 1.00 0.00 H new ATOM 0 HB ILE A 69 6.924 -8.880 3.196 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.360 -11.463 3.620 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.686 -10.285 4.876 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.786 -9.596 1.177 1.00 0.00 H new ATOM 0 HG22 ILE A 69 7.554 -9.760 1.050 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.544 -11.201 1.314 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.410 -10.016 3.991 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.391 -8.576 3.627 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.060 -9.773 2.352 1.00 0.00 H new ATOM 1076 N LYS A 70 9.579 -11.758 2.222 1.00 0.00 N ATOM 1077 CA LYS A 70 10.723 -11.904 1.323 1.00 0.00 C ATOM 1078 C LYS A 70 10.199 -11.912 -0.121 1.00 0.00 C ATOM 1079 O LYS A 70 9.181 -12.496 -0.433 1.00 0.00 O ATOM 1080 CB LYS A 70 11.451 -13.200 1.656 1.00 0.00 C ATOM 1081 CG LYS A 70 12.728 -13.430 0.842 1.00 0.00 C ATOM 1082 CD LYS A 70 12.570 -14.694 0.006 1.00 0.00 C ATOM 1083 CE LYS A 70 13.951 -15.308 -0.269 1.00 0.00 C ATOM 1084 NZ LYS A 70 13.761 -16.617 -0.911 1.00 0.00 N ATOM 0 H LYS A 70 9.074 -12.627 2.397 1.00 0.00 H new ATOM 0 HA LYS A 70 11.427 -11.080 1.439 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.705 -13.199 2.716 1.00 0.00 H new ATOM 0 HB3 LYS A 70 10.773 -14.037 1.491 1.00 0.00 H new ATOM 0 HG2 LYS A 70 12.920 -12.574 0.195 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.586 -13.525 1.508 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.940 -15.412 0.531 1.00 0.00 H new ATOM 0 HD3 LYS A 70 12.072 -14.460 -0.935 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.536 -14.652 -0.913 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.508 -15.420 0.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 14.688 -17.047 -1.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 13.217 -17.238 -0.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 13.244 -16.494 -1.805 1.00 0.00 H new ATOM 1098 N PHE A 71 10.958 -11.209 -0.941 1.00 0.00 N ATOM 1099 CA PHE A 71 10.658 -11.037 -2.378 1.00 0.00 C ATOM 1100 C PHE A 71 11.682 -11.775 -3.256 1.00 0.00 C ATOM 1101 O PHE A 71 11.362 -12.224 -4.356 1.00 0.00 O ATOM 1102 CB PHE A 71 10.674 -9.536 -2.714 1.00 0.00 C ATOM 1103 CG PHE A 71 9.744 -8.732 -1.795 1.00 0.00 C ATOM 1104 CD1 PHE A 71 8.384 -8.563 -2.144 1.00 0.00 C ATOM 1105 CD2 PHE A 71 10.270 -8.162 -0.611 1.00 0.00 C ATOM 1106 CE1 PHE A 71 7.538 -7.811 -1.300 1.00 0.00 C ATOM 1107 CE2 PHE A 71 9.420 -7.418 0.237 1.00 0.00 C ATOM 1108 CZ PHE A 71 8.066 -7.255 -0.116 1.00 0.00 C ATOM 0 H PHE A 71 11.809 -10.732 -0.641 1.00 0.00 H new ATOM 0 HA PHE A 71 9.675 -11.461 -2.582 1.00 0.00 H new ATOM 0 HB2 PHE A 71 11.691 -9.155 -2.624 1.00 0.00 H new ATOM 0 HB3 PHE A 71 10.371 -9.393 -3.751 1.00 0.00 H new ATOM 0 HD1 PHE A 71 7.995 -9.006 -3.049 1.00 0.00 H new ATOM 0 HD2 PHE A 71 11.312 -8.295 -0.358 1.00 0.00 H new ATOM 0 HE1 PHE A 71 6.500 -7.663 -1.558 1.00 0.00 H new ATOM 0 HE2 PHE A 71 9.804 -6.979 1.146 1.00 0.00 H new ATOM 0 HZ PHE A 71 7.416 -6.690 0.536 1.00 0.00 H new ATOM 1118 N GLY A 72 12.901 -11.878 -2.732 1.00 0.00 N ATOM 1119 CA GLY A 72 14.049 -12.507 -3.427 1.00 0.00 C ATOM 1120 C GLY A 72 15.088 -11.481 -3.914 1.00 0.00 C ATOM 1121 O GLY A 72 16.104 -11.836 -4.487 1.00 0.00 O ATOM 0 H GLY A 72 13.134 -11.527 -1.803 1.00 0.00 H new ATOM 0 HA2 GLY A 72 14.532 -13.214 -2.753 1.00 0.00 H new ATOM 0 HA3 GLY A 72 13.683 -13.079 -4.280 1.00 0.00 H new ATOM 1125 N LYS A 73 14.856 -10.216 -3.567 1.00 0.00 N ATOM 1126 CA LYS A 73 15.807 -9.144 -3.867 1.00 0.00 C ATOM 1127 C LYS A 73 16.551 -8.782 -2.599 1.00 0.00 C ATOM 1128 O LYS A 73 15.938 -8.320 -1.645 1.00 0.00 O ATOM 1129 CB LYS A 73 15.079 -7.932 -4.465 1.00 0.00 C ATOM 1130 CG LYS A 73 15.036 -8.121 -5.973 1.00 0.00 C ATOM 1131 CD LYS A 73 13.636 -7.962 -6.564 1.00 0.00 C ATOM 1132 CE LYS A 73 13.702 -8.462 -7.998 1.00 0.00 C ATOM 1133 NZ LYS A 73 12.613 -7.862 -8.776 1.00 0.00 N ATOM 0 H LYS A 73 14.017 -9.907 -3.077 1.00 0.00 H new ATOM 0 HA LYS A 73 16.528 -9.482 -4.611 1.00 0.00 H new ATOM 0 HB2 LYS A 73 14.070 -7.853 -4.060 1.00 0.00 H new ATOM 0 HB3 LYS A 73 15.599 -7.009 -4.209 1.00 0.00 H new ATOM 0 HG2 LYS A 73 15.704 -7.399 -6.442 1.00 0.00 H new ATOM 0 HG3 LYS A 73 15.416 -9.113 -6.219 1.00 0.00 H new ATOM 0 HD2 LYS A 73 12.907 -8.533 -5.989 1.00 0.00 H new ATOM 0 HD3 LYS A 73 13.320 -6.919 -6.533 1.00 0.00 H new ATOM 0 HE2 LYS A 73 14.664 -8.204 -8.440 1.00 0.00 H new ATOM 0 HE3 LYS A 73 13.623 -9.549 -8.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 12.658 -8.204 -9.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 11.699 -8.129 -8.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 12.709 -6.826 -8.766 1.00 0.00 H new ATOM 1147 N SER A 74 17.850 -9.074 -2.589 1.00 0.00 N ATOM 1148 CA SER A 74 18.746 -8.697 -1.480 1.00 0.00 C ATOM 1149 C SER A 74 18.573 -7.248 -1.013 1.00 0.00 C ATOM 1150 O SER A 74 18.612 -7.008 0.174 1.00 0.00 O ATOM 1151 CB SER A 74 20.238 -8.892 -1.795 1.00 0.00 C ATOM 1152 OG SER A 74 20.613 -10.238 -1.537 1.00 0.00 O ATOM 0 H SER A 74 18.317 -9.577 -3.344 1.00 0.00 H new ATOM 0 HA SER A 74 18.442 -9.381 -0.688 1.00 0.00 H new ATOM 0 HB2 SER A 74 20.434 -8.644 -2.838 1.00 0.00 H new ATOM 0 HB3 SER A 74 20.839 -8.215 -1.188 1.00 0.00 H new ATOM 0 HG SER A 74 21.564 -10.357 -1.741 1.00 0.00 H new ATOM 1158 N ASP A 75 18.199 -6.371 -1.953 1.00 0.00 N ATOM 1159 CA ASP A 75 17.827 -4.973 -1.679 1.00 0.00 C ATOM 1160 C ASP A 75 16.430 -4.843 -1.051 1.00 0.00 C ATOM 1161 O ASP A 75 16.222 -4.144 -0.069 1.00 0.00 O ATOM 1162 CB ASP A 75 17.858 -4.115 -2.948 1.00 0.00 C ATOM 1163 CG ASP A 75 19.232 -4.005 -3.606 1.00 0.00 C ATOM 1164 OD1 ASP A 75 20.239 -3.931 -2.875 1.00 0.00 O ATOM 1165 OD2 ASP A 75 19.235 -4.061 -4.856 1.00 0.00 O ATOM 0 H ASP A 75 18.145 -6.615 -2.942 1.00 0.00 H new ATOM 0 HA ASP A 75 18.573 -4.616 -0.969 1.00 0.00 H new ATOM 0 HB2 ASP A 75 17.156 -4.532 -3.670 1.00 0.00 H new ATOM 0 HB3 ASP A 75 17.506 -3.113 -2.702 1.00 0.00 H new ATOM 1170 N CYS A 76 15.432 -5.522 -1.604 1.00 0.00 N ATOM 1171 CA CYS A 76 14.085 -5.563 -0.979 1.00 0.00 C ATOM 1172 C CYS A 76 14.064 -6.275 0.391 1.00 0.00 C ATOM 1173 O CYS A 76 13.138 -6.096 1.178 1.00 0.00 O ATOM 1174 CB CYS A 76 13.102 -6.196 -1.950 1.00 0.00 C ATOM 1175 SG CYS A 76 12.727 -5.148 -3.391 1.00 0.00 S ATOM 0 H CYS A 76 15.512 -6.050 -2.473 1.00 0.00 H new ATOM 0 HA CYS A 76 13.787 -4.535 -0.771 1.00 0.00 H new ATOM 0 HB2 CYS A 76 13.508 -7.146 -2.298 1.00 0.00 H new ATOM 0 HB3 CYS A 76 12.175 -6.419 -1.422 1.00 0.00 H new ATOM 1180 N ASP A 77 15.076 -7.096 0.633 1.00 0.00 N ATOM 1181 CA ASP A 77 15.311 -7.819 1.894 1.00 0.00 C ATOM 1182 C ASP A 77 16.292 -7.066 2.807 1.00 0.00 C ATOM 1183 O ASP A 77 16.375 -7.362 3.998 1.00 0.00 O ATOM 1184 CB ASP A 77 15.861 -9.225 1.574 1.00 0.00 C ATOM 1185 CG ASP A 77 16.154 -10.125 2.785 1.00 0.00 C ATOM 1186 OD1 ASP A 77 15.518 -9.938 3.840 1.00 0.00 O ATOM 1187 OD2 ASP A 77 16.975 -11.049 2.585 1.00 0.00 O ATOM 0 H ASP A 77 15.791 -7.291 -0.068 1.00 0.00 H new ATOM 0 HA ASP A 77 14.364 -7.898 2.427 1.00 0.00 H new ATOM 0 HB2 ASP A 77 15.144 -9.736 0.931 1.00 0.00 H new ATOM 0 HB3 ASP A 77 16.780 -9.112 0.999 1.00 0.00 H new ATOM 1192 N ARG A 78 17.078 -6.153 2.249 1.00 0.00 N ATOM 1193 CA ARG A 78 18.085 -5.377 2.991 1.00 0.00 C ATOM 1194 C ARG A 78 17.409 -4.614 4.150 1.00 0.00 C ATOM 1195 O ARG A 78 16.213 -4.343 4.070 1.00 0.00 O ATOM 1196 CB ARG A 78 18.860 -4.451 2.043 1.00 0.00 C ATOM 1197 CG ARG A 78 18.173 -3.128 1.685 1.00 0.00 C ATOM 1198 CD ARG A 78 18.651 -1.956 2.526 1.00 0.00 C ATOM 1199 NE ARG A 78 19.258 -0.985 1.609 1.00 0.00 N ATOM 1200 CZ ARG A 78 20.495 -1.016 1.128 1.00 0.00 C ATOM 1201 NH1 ARG A 78 21.345 -1.991 1.440 1.00 0.00 N ATOM 1202 NH2 ARG A 78 20.891 -0.070 0.302 1.00 0.00 N ATOM 0 H ARG A 78 17.040 -5.922 1.256 1.00 0.00 H new ATOM 0 HA ARG A 78 18.817 -6.054 3.431 1.00 0.00 H new ATOM 0 HB2 ARG A 78 19.825 -4.225 2.496 1.00 0.00 H new ATOM 0 HB3 ARG A 78 19.061 -4.995 1.120 1.00 0.00 H new ATOM 0 HG2 ARG A 78 18.351 -2.907 0.632 1.00 0.00 H new ATOM 0 HG3 ARG A 78 17.096 -3.240 1.810 1.00 0.00 H new ATOM 0 HD2 ARG A 78 17.819 -1.506 3.068 1.00 0.00 H new ATOM 0 HD3 ARG A 78 19.375 -2.287 3.271 1.00 0.00 H new ATOM 0 HE ARG A 78 18.670 -0.207 1.311 1.00 0.00 H new ATOM 0 HH11 ARG A 78 21.052 -2.742 2.065 1.00 0.00 H new ATOM 0 HH12 ARG A 78 22.289 -1.987 1.054 1.00 0.00 H new ATOM 0 HH21 ARG A 78 20.249 0.677 0.037 1.00 0.00 H new ATOM 0 HH22 ARG A 78 21.839 -0.085 -0.073 1.00 0.00 H new ATOM 1216 N PRO A 79 18.183 -4.258 5.182 1.00 0.00 N ATOM 1217 CA PRO A 79 17.660 -3.450 6.297 1.00 0.00 C ATOM 1218 C PRO A 79 17.392 -1.989 5.878 1.00 0.00 C ATOM 1219 O PRO A 79 18.335 -1.263 5.533 1.00 0.00 O ATOM 1220 CB PRO A 79 18.716 -3.570 7.387 1.00 0.00 C ATOM 1221 CG PRO A 79 20.018 -3.839 6.637 1.00 0.00 C ATOM 1222 CD PRO A 79 19.575 -4.682 5.438 1.00 0.00 C ATOM 0 HA PRO A 79 16.689 -3.804 6.644 1.00 0.00 H new ATOM 0 HB2 PRO A 79 18.781 -2.656 7.978 1.00 0.00 H new ATOM 0 HB3 PRO A 79 18.482 -4.380 8.078 1.00 0.00 H new ATOM 0 HG2 PRO A 79 20.497 -2.913 6.321 1.00 0.00 H new ATOM 0 HG3 PRO A 79 20.736 -4.373 7.259 1.00 0.00 H new ATOM 0 HD2 PRO A 79 20.210 -4.503 4.571 1.00 0.00 H new ATOM 0 HD3 PRO A 79 19.631 -5.748 5.660 1.00 0.00 H new ATOM 1230 N PRO A 80 16.122 -1.593 5.789 1.00 0.00 N ATOM 1231 CA PRO A 80 15.720 -0.239 5.394 1.00 0.00 C ATOM 1232 C PRO A 80 16.060 0.772 6.483 1.00 0.00 C ATOM 1233 O PRO A 80 15.894 0.536 7.679 1.00 0.00 O ATOM 1234 CB PRO A 80 14.212 -0.356 5.162 1.00 0.00 C ATOM 1235 CG PRO A 80 13.739 -1.448 6.103 1.00 0.00 C ATOM 1236 CD PRO A 80 14.943 -2.393 6.122 1.00 0.00 C ATOM 0 HA PRO A 80 16.241 0.120 4.506 1.00 0.00 H new ATOM 0 HB2 PRO A 80 13.709 0.588 5.372 1.00 0.00 H new ATOM 0 HB3 PRO A 80 13.993 -0.610 4.125 1.00 0.00 H new ATOM 0 HG2 PRO A 80 13.509 -1.060 7.095 1.00 0.00 H new ATOM 0 HG3 PRO A 80 12.839 -1.941 5.736 1.00 0.00 H new ATOM 0 HD2 PRO A 80 15.055 -2.855 7.103 1.00 0.00 H new ATOM 0 HD3 PRO A 80 14.810 -3.201 5.403 1.00 0.00 H new ATOM 1244 N LYS A 81 16.513 1.934 6.038 1.00 0.00 N ATOM 1245 CA LYS A 81 16.893 2.985 6.995 1.00 0.00 C ATOM 1246 C LYS A 81 15.889 4.140 6.905 1.00 0.00 C ATOM 1247 O LYS A 81 15.987 5.023 6.052 1.00 0.00 O ATOM 1248 CB LYS A 81 18.331 3.420 6.735 1.00 0.00 C ATOM 1249 CG LYS A 81 19.001 3.914 8.006 1.00 0.00 C ATOM 1250 CD LYS A 81 20.489 3.565 7.942 1.00 0.00 C ATOM 1251 CE LYS A 81 21.194 4.064 9.210 1.00 0.00 C ATOM 1252 NZ LYS A 81 22.645 3.837 9.080 1.00 0.00 N ATOM 0 H LYS A 81 16.628 2.178 5.054 1.00 0.00 H new ATOM 0 HA LYS A 81 16.858 2.608 8.017 1.00 0.00 H new ATOM 0 HB2 LYS A 81 18.897 2.583 6.325 1.00 0.00 H new ATOM 0 HB3 LYS A 81 18.343 4.211 5.985 1.00 0.00 H new ATOM 0 HG2 LYS A 81 18.869 4.991 8.109 1.00 0.00 H new ATOM 0 HG3 LYS A 81 18.542 3.452 8.880 1.00 0.00 H new ATOM 0 HD2 LYS A 81 20.615 2.487 7.845 1.00 0.00 H new ATOM 0 HD3 LYS A 81 20.941 4.020 7.060 1.00 0.00 H new ATOM 0 HE2 LYS A 81 20.992 5.125 9.359 1.00 0.00 H new ATOM 0 HE3 LYS A 81 20.809 3.540 10.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 23.127 4.174 9.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 22.828 2.821 8.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 23.005 4.356 8.254 1.00 0.00 H new ATOM 1266 N HIS A 82 14.787 3.895 7.604 1.00 0.00 N ATOM 1267 CA HIS A 82 13.695 4.889 7.720 1.00 0.00 C ATOM 1268 C HIS A 82 14.057 5.911 8.803 1.00 0.00 C ATOM 1269 O HIS A 82 14.496 5.569 9.896 1.00 0.00 O ATOM 1270 CB HIS A 82 12.381 4.145 8.028 1.00 0.00 C ATOM 1271 CG HIS A 82 11.216 5.088 8.333 1.00 0.00 C ATOM 1272 ND1 HIS A 82 10.929 5.541 9.540 1.00 0.00 N ATOM 1273 CD2 HIS A 82 10.367 5.639 7.477 1.00 0.00 C ATOM 1274 CE1 HIS A 82 9.904 6.385 9.450 1.00 0.00 C ATOM 1275 NE2 HIS A 82 9.579 6.447 8.170 1.00 0.00 N ATOM 0 H HIS A 82 14.614 3.022 8.103 1.00 0.00 H new ATOM 0 HA HIS A 82 13.559 5.437 6.788 1.00 0.00 H new ATOM 0 HB2 HIS A 82 12.119 3.516 7.177 1.00 0.00 H new ATOM 0 HB3 HIS A 82 12.537 3.482 8.879 1.00 0.00 H new ATOM 0 HD2 HIS A 82 10.326 5.462 6.412 1.00 0.00 H new ATOM 0 HE1 HIS A 82 9.431 6.915 10.263 1.00 0.00 H new ATOM 0 HE2 HIS A 82 8.837 7.027 7.777 1.00 0.00 H new ATOM 1284 N SER A 83 13.899 7.183 8.424 1.00 0.00 N ATOM 1285 CA SER A 83 14.218 8.316 9.314 1.00 0.00 C ATOM 1286 C SER A 83 12.949 8.783 10.059 1.00 0.00 C ATOM 1287 O SER A 83 12.135 7.963 10.429 1.00 0.00 O ATOM 1288 CB SER A 83 14.928 9.405 8.516 1.00 0.00 C ATOM 1289 OG SER A 83 15.378 10.445 9.388 1.00 0.00 O ATOM 0 H SER A 83 13.552 7.460 7.506 1.00 0.00 H new ATOM 0 HA SER A 83 14.914 8.014 10.096 1.00 0.00 H new ATOM 0 HB2 SER A 83 15.776 8.978 7.980 1.00 0.00 H new ATOM 0 HB3 SER A 83 14.251 9.816 7.767 1.00 0.00 H new ATOM 0 HG SER A 83 15.833 11.137 8.864 1.00 0.00 H new ATOM 1295 N LYS A 84 12.806 10.075 10.340 1.00 0.00 N ATOM 1296 CA LYS A 84 11.611 10.604 11.039 1.00 0.00 C ATOM 1297 C LYS A 84 10.347 10.508 10.172 1.00 0.00 C ATOM 1298 O LYS A 84 9.460 9.703 10.417 1.00 0.00 O ATOM 1299 CB LYS A 84 11.922 12.037 11.506 1.00 0.00 C ATOM 1300 CG LYS A 84 11.302 12.353 12.871 1.00 0.00 C ATOM 1301 CD LYS A 84 9.772 12.471 12.794 1.00 0.00 C ATOM 1302 CE LYS A 84 9.110 11.811 14.002 1.00 0.00 C ATOM 1303 NZ LYS A 84 7.914 11.124 13.512 1.00 0.00 N ATOM 0 H LYS A 84 13.497 10.786 10.099 1.00 0.00 H new ATOM 0 HA LYS A 84 11.390 9.993 11.914 1.00 0.00 H new ATOM 0 HB2 LYS A 84 13.002 12.172 11.560 1.00 0.00 H new ATOM 0 HB3 LYS A 84 11.549 12.746 10.767 1.00 0.00 H new ATOM 0 HG2 LYS A 84 11.570 11.571 13.581 1.00 0.00 H new ATOM 0 HG3 LYS A 84 11.719 13.285 13.252 1.00 0.00 H new ATOM 0 HD2 LYS A 84 9.487 13.522 12.748 1.00 0.00 H new ATOM 0 HD3 LYS A 84 9.413 12.003 11.877 1.00 0.00 H new ATOM 0 HE2 LYS A 84 9.792 11.106 14.478 1.00 0.00 H new ATOM 0 HE3 LYS A 84 8.846 12.556 14.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 7.431 10.659 14.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 7.272 11.815 13.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 8.188 10.410 12.807 1.00 0.00 H new ATOM 1317 N ASP A 85 10.391 11.227 9.046 1.00 0.00 N ATOM 1318 CA ASP A 85 9.312 11.216 8.036 1.00 0.00 C ATOM 1319 C ASP A 85 9.672 10.358 6.803 1.00 0.00 C ATOM 1320 O ASP A 85 9.200 10.608 5.699 1.00 0.00 O ATOM 1321 CB ASP A 85 8.920 12.650 7.634 1.00 0.00 C ATOM 1322 CG ASP A 85 10.097 13.627 7.566 1.00 0.00 C ATOM 1323 OD1 ASP A 85 11.016 13.396 6.752 1.00 0.00 O ATOM 1324 OD2 ASP A 85 10.191 14.438 8.512 1.00 0.00 O ATOM 0 H ASP A 85 11.173 11.835 8.803 1.00 0.00 H new ATOM 0 HA ASP A 85 8.443 10.746 8.497 1.00 0.00 H new ATOM 0 HB2 ASP A 85 8.430 12.621 6.661 1.00 0.00 H new ATOM 0 HB3 ASP A 85 8.189 13.029 8.348 1.00 0.00 H new ATOM 1329 N GLY A 86 10.571 9.396 7.031 1.00 0.00 N ATOM 1330 CA GLY A 86 11.120 8.529 5.969 1.00 0.00 C ATOM 1331 C GLY A 86 11.372 9.271 4.662 1.00 0.00 C ATOM 1332 O GLY A 86 10.578 9.243 3.729 1.00 0.00 O ATOM 0 H GLY A 86 10.944 9.191 7.958 1.00 0.00 H new ATOM 0 HA2 GLY A 86 12.055 8.088 6.315 1.00 0.00 H new ATOM 0 HA3 GLY A 86 10.428 7.707 5.786 1.00 0.00 H new ATOM 1336 N ASN A 87 12.419 10.078 4.731 1.00 0.00 N ATOM 1337 CA ASN A 87 12.886 10.916 3.622 1.00 0.00 C ATOM 1338 C ASN A 87 14.408 11.076 3.704 1.00 0.00 C ATOM 1339 O ASN A 87 15.134 10.641 2.808 1.00 0.00 O ATOM 1340 CB ASN A 87 12.136 12.250 3.647 1.00 0.00 C ATOM 1341 CG ASN A 87 12.754 13.265 2.687 1.00 0.00 C ATOM 1342 OD1 ASN A 87 12.772 13.097 1.480 1.00 0.00 O ATOM 1343 ND2 ASN A 87 13.434 14.243 3.240 1.00 0.00 N ATOM 0 H ASN A 87 12.984 10.176 5.574 1.00 0.00 H new ATOM 0 HA ASN A 87 12.672 10.446 2.662 1.00 0.00 H new ATOM 0 HB2 ASN A 87 11.092 12.085 3.380 1.00 0.00 H new ATOM 0 HB3 ASN A 87 12.146 12.654 4.659 1.00 0.00 H new ATOM 0 HD21 ASN A 87 13.986 14.873 2.658 1.00 0.00 H new ATOM 0 HD22 ASN A 87 13.410 14.372 4.251 1.00 0.00 H new ATOM 1350 N GLY A 88 14.860 11.520 4.890 1.00 0.00 N ATOM 1351 CA GLY A 88 16.278 11.838 5.181 1.00 0.00 C ATOM 1352 C GLY A 88 16.924 12.582 4.014 1.00 0.00 C ATOM 1353 O GLY A 88 16.269 13.332 3.293 1.00 0.00 O ATOM 0 H GLY A 88 14.244 11.672 5.689 1.00 0.00 H new ATOM 0 HA2 GLY A 88 16.340 12.446 6.083 1.00 0.00 H new ATOM 0 HA3 GLY A 88 16.827 10.918 5.379 1.00 0.00 H new ATOM 1357 N LYS A 89 18.185 12.273 3.794 1.00 0.00 N ATOM 1358 CA LYS A 89 18.902 12.784 2.602 1.00 0.00 C ATOM 1359 C LYS A 89 19.005 11.737 1.485 1.00 0.00 C ATOM 1360 O LYS A 89 19.058 12.070 0.305 1.00 0.00 O ATOM 1361 CB LYS A 89 20.269 13.348 3.018 1.00 0.00 C ATOM 1362 CG LYS A 89 21.250 12.334 3.634 1.00 0.00 C ATOM 1363 CD LYS A 89 22.478 12.280 2.728 1.00 0.00 C ATOM 1364 CE LYS A 89 23.711 11.839 3.492 1.00 0.00 C ATOM 1365 NZ LYS A 89 24.818 12.639 2.968 1.00 0.00 N ATOM 0 H LYS A 89 18.745 11.679 4.406 1.00 0.00 H new ATOM 0 HA LYS A 89 18.318 13.599 2.173 1.00 0.00 H new ATOM 0 HB2 LYS A 89 20.739 13.794 2.142 1.00 0.00 H new ATOM 0 HB3 LYS A 89 20.107 14.151 3.737 1.00 0.00 H new ATOM 0 HG2 LYS A 89 21.530 12.635 4.643 1.00 0.00 H new ATOM 0 HG3 LYS A 89 20.787 11.350 3.712 1.00 0.00 H new ATOM 0 HD2 LYS A 89 22.294 11.591 1.903 1.00 0.00 H new ATOM 0 HD3 LYS A 89 22.652 13.263 2.290 1.00 0.00 H new ATOM 0 HE2 LYS A 89 23.585 12.001 4.563 1.00 0.00 H new ATOM 0 HE3 LYS A 89 23.898 10.774 3.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 25.697 12.378 3.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 24.924 12.460 1.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 24.621 13.648 3.124 1.00 0.00 H new ATOM 1379 N THR A 90 19.084 10.482 1.928 1.00 0.00 N ATOM 1380 CA THR A 90 19.265 9.293 1.070 1.00 0.00 C ATOM 1381 C THR A 90 18.620 8.061 1.716 1.00 0.00 C ATOM 1382 O THR A 90 19.074 6.935 1.516 1.00 0.00 O ATOM 1383 CB THR A 90 20.771 9.024 0.900 1.00 0.00 C ATOM 1384 OG1 THR A 90 21.412 9.148 2.173 1.00 0.00 O ATOM 1385 CG2 THR A 90 21.411 9.912 -0.165 1.00 0.00 C ATOM 0 H THR A 90 19.023 10.250 2.919 1.00 0.00 H new ATOM 0 HA THR A 90 18.794 9.481 0.105 1.00 0.00 H new ATOM 0 HB THR A 90 20.905 8.006 0.534 1.00 0.00 H new ATOM 0 HG1 THR A 90 22.372 8.976 2.074 1.00 0.00 H new ATOM 0 HG21 THR A 90 22.473 9.679 -0.242 1.00 0.00 H new ATOM 0 HG22 THR A 90 20.929 9.732 -1.126 1.00 0.00 H new ATOM 0 HG23 THR A 90 21.288 10.959 0.112 1.00 0.00 H new ATOM 1393 N ASP A 91 17.549 8.296 2.486 1.00 0.00 N ATOM 1394 CA ASP A 91 16.774 7.221 3.126 1.00 0.00 C ATOM 1395 C ASP A 91 16.490 6.092 2.126 1.00 0.00 C ATOM 1396 O ASP A 91 16.484 6.293 0.910 1.00 0.00 O ATOM 1397 CB ASP A 91 15.434 7.738 3.659 1.00 0.00 C ATOM 1398 CG ASP A 91 15.304 7.771 5.180 1.00 0.00 C ATOM 1399 OD1 ASP A 91 16.339 7.720 5.880 1.00 0.00 O ATOM 1400 OD2 ASP A 91 14.158 8.016 5.629 1.00 0.00 O ATOM 0 H ASP A 91 17.195 9.232 2.683 1.00 0.00 H new ATOM 0 HA ASP A 91 17.373 6.847 3.956 1.00 0.00 H new ATOM 0 HB2 ASP A 91 15.274 8.746 3.276 1.00 0.00 H new ATOM 0 HB3 ASP A 91 14.637 7.113 3.256 1.00 0.00 H new ATOM 1405 N HIS A 92 16.435 4.889 2.662 1.00 0.00 N ATOM 1406 CA HIS A 92 16.221 3.708 1.809 1.00 0.00 C ATOM 1407 C HIS A 92 15.279 2.694 2.463 1.00 0.00 C ATOM 1408 O HIS A 92 15.588 1.530 2.708 1.00 0.00 O ATOM 1409 CB HIS A 92 17.562 3.122 1.352 1.00 0.00 C ATOM 1410 CG HIS A 92 18.435 2.644 2.520 1.00 0.00 C ATOM 1411 ND1 HIS A 92 18.400 1.429 3.054 1.00 0.00 N ATOM 1412 CD2 HIS A 92 19.368 3.341 3.152 1.00 0.00 C ATOM 1413 CE1 HIS A 92 19.315 1.363 4.003 1.00 0.00 C ATOM 1414 NE2 HIS A 92 19.897 2.546 4.067 1.00 0.00 N ATOM 0 H HIS A 92 16.531 4.692 3.658 1.00 0.00 H new ATOM 0 HA HIS A 92 15.703 4.019 0.902 1.00 0.00 H new ATOM 0 HB2 HIS A 92 17.376 2.286 0.678 1.00 0.00 H new ATOM 0 HB3 HIS A 92 18.107 3.875 0.783 1.00 0.00 H new ATOM 0 HD2 HIS A 92 19.645 4.366 2.956 1.00 0.00 H new ATOM 0 HE1 HIS A 92 19.545 0.502 4.613 1.00 0.00 H new ATOM 0 HE2 HIS A 92 20.637 2.806 4.719 1.00 0.00 H new ATOM 1423 N TYR A 93 14.095 3.224 2.755 1.00 0.00 N ATOM 1424 CA TYR A 93 13.053 2.445 3.431 1.00 0.00 C ATOM 1425 C TYR A 93 12.105 1.795 2.421 1.00 0.00 C ATOM 1426 O TYR A 93 11.852 2.346 1.349 1.00 0.00 O ATOM 1427 CB TYR A 93 12.318 3.310 4.454 1.00 0.00 C ATOM 1428 CG TYR A 93 11.549 4.473 3.845 1.00 0.00 C ATOM 1429 CD1 TYR A 93 12.247 5.639 3.456 1.00 0.00 C ATOM 1430 CD2 TYR A 93 10.172 4.312 3.615 1.00 0.00 C ATOM 1431 CE1 TYR A 93 11.539 6.639 2.781 1.00 0.00 C ATOM 1432 CE2 TYR A 93 9.470 5.335 2.984 1.00 0.00 C ATOM 1433 CZ TYR A 93 10.166 6.485 2.546 1.00 0.00 C ATOM 1434 OH TYR A 93 9.533 7.380 1.745 1.00 0.00 O ATOM 0 H TYR A 93 13.830 4.185 2.537 1.00 0.00 H new ATOM 0 HA TYR A 93 13.526 1.630 3.979 1.00 0.00 H new ATOM 0 HB2 TYR A 93 11.624 2.682 5.013 1.00 0.00 H new ATOM 0 HB3 TYR A 93 13.041 3.701 5.170 1.00 0.00 H new ATOM 0 HD1 TYR A 93 13.298 5.755 3.674 1.00 0.00 H new ATOM 0 HD2 TYR A 93 9.666 3.409 3.923 1.00 0.00 H new ATOM 0 HE1 TYR A 93 12.050 7.528 2.442 1.00 0.00 H new ATOM 0 HE2 TYR A 93 8.404 5.251 2.831 1.00 0.00 H new ATOM 0 HH TYR A 93 9.882 8.279 1.919 1.00 0.00 H new ATOM 1444 N LEU A 94 11.648 0.603 2.769 1.00 0.00 N ATOM 1445 CA LEU A 94 10.641 -0.109 1.963 1.00 0.00 C ATOM 1446 C LEU A 94 9.275 0.548 2.153 1.00 0.00 C ATOM 1447 O LEU A 94 8.859 0.772 3.293 1.00 0.00 O ATOM 1448 CB LEU A 94 10.532 -1.604 2.312 1.00 0.00 C ATOM 1449 CG LEU A 94 11.225 -2.505 1.278 1.00 0.00 C ATOM 1450 CD1 LEU A 94 10.840 -3.953 1.524 1.00 0.00 C ATOM 1451 CD2 LEU A 94 10.735 -2.227 -0.133 1.00 0.00 C ATOM 0 H LEU A 94 11.952 0.099 3.602 1.00 0.00 H new ATOM 0 HA LEU A 94 10.966 -0.042 0.925 1.00 0.00 H new ATOM 0 HB2 LEU A 94 10.974 -1.777 3.293 1.00 0.00 H new ATOM 0 HB3 LEU A 94 9.480 -1.881 2.383 1.00 0.00 H new ATOM 0 HG LEU A 94 12.294 -2.313 1.376 1.00 0.00 H new ATOM 0 HD11 LEU A 94 11.333 -4.590 0.790 1.00 0.00 H new ATOM 0 HD12 LEU A 94 11.151 -4.247 2.526 1.00 0.00 H new ATOM 0 HD13 LEU A 94 9.759 -4.063 1.433 1.00 0.00 H new ATOM 0 HD21 LEU A 94 11.250 -2.885 -0.833 1.00 0.00 H new ATOM 0 HD22 LEU A 94 9.661 -2.408 -0.188 1.00 0.00 H new ATOM 0 HD23 LEU A 94 10.942 -1.189 -0.392 1.00 0.00 H new ATOM 1463 N LEU A 95 8.741 1.089 1.070 1.00 0.00 N ATOM 1464 CA LEU A 95 7.430 1.759 1.078 1.00 0.00 C ATOM 1465 C LEU A 95 6.343 0.774 0.621 1.00 0.00 C ATOM 1466 O LEU A 95 6.612 -0.162 -0.125 1.00 0.00 O ATOM 1467 CB LEU A 95 7.337 3.012 0.198 1.00 0.00 C ATOM 1468 CG LEU A 95 8.616 3.853 0.105 1.00 0.00 C ATOM 1469 CD1 LEU A 95 9.613 3.253 -0.865 1.00 0.00 C ATOM 1470 CD2 LEU A 95 8.296 5.262 -0.382 1.00 0.00 C ATOM 0 H LEU A 95 9.195 1.082 0.157 1.00 0.00 H new ATOM 0 HA LEU A 95 7.286 2.087 2.107 1.00 0.00 H new ATOM 0 HB2 LEU A 95 7.050 2.707 -0.808 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.535 3.644 0.580 1.00 0.00 H new ATOM 0 HG LEU A 95 9.046 3.876 1.106 1.00 0.00 H new ATOM 0 HD11 LEU A 95 10.505 3.878 -0.903 1.00 0.00 H new ATOM 0 HD12 LEU A 95 9.885 2.251 -0.533 1.00 0.00 H new ATOM 0 HD13 LEU A 95 9.167 3.198 -1.858 1.00 0.00 H new ATOM 0 HD21 LEU A 95 9.216 5.844 -0.442 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.835 5.210 -1.368 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.608 5.741 0.315 1.00 0.00 H new ATOM 1482 N GLU A 96 5.147 1.020 1.153 1.00 0.00 N ATOM 1483 CA GLU A 96 3.946 0.242 0.827 1.00 0.00 C ATOM 1484 C GLU A 96 2.789 1.137 0.367 1.00 0.00 C ATOM 1485 O GLU A 96 1.999 1.674 1.142 1.00 0.00 O ATOM 1486 CB GLU A 96 3.591 -0.656 2.021 1.00 0.00 C ATOM 1487 CG GLU A 96 2.211 -1.295 1.893 1.00 0.00 C ATOM 1488 CD GLU A 96 2.014 -2.589 2.682 1.00 0.00 C ATOM 1489 OE1 GLU A 96 1.944 -2.515 3.922 1.00 0.00 O ATOM 1490 OE2 GLU A 96 1.868 -3.612 1.998 1.00 0.00 O ATOM 0 H GLU A 96 4.980 1.768 1.826 1.00 0.00 H new ATOM 0 HA GLU A 96 4.150 -0.404 -0.027 1.00 0.00 H new ATOM 0 HB2 GLU A 96 4.342 -1.440 2.115 1.00 0.00 H new ATOM 0 HB3 GLU A 96 3.629 -0.066 2.937 1.00 0.00 H new ATOM 0 HG2 GLU A 96 1.463 -0.573 2.219 1.00 0.00 H new ATOM 0 HG3 GLU A 96 2.019 -1.499 0.839 1.00 0.00 H new ATOM 1497 N PHE A 97 2.624 1.174 -0.940 1.00 0.00 N ATOM 1498 CA PHE A 97 1.517 1.910 -1.552 1.00 0.00 C ATOM 1499 C PHE A 97 0.301 0.980 -1.802 1.00 0.00 C ATOM 1500 O PHE A 97 0.494 -0.115 -2.327 1.00 0.00 O ATOM 1501 CB PHE A 97 2.034 2.545 -2.844 1.00 0.00 C ATOM 1502 CG PHE A 97 0.986 3.426 -3.528 1.00 0.00 C ATOM 1503 CD1 PHE A 97 0.057 2.839 -4.418 1.00 0.00 C ATOM 1504 CD2 PHE A 97 0.934 4.798 -3.205 1.00 0.00 C ATOM 1505 CE1 PHE A 97 -0.960 3.633 -4.984 1.00 0.00 C ATOM 1506 CE2 PHE A 97 -0.065 5.587 -3.784 1.00 0.00 C ATOM 1507 CZ PHE A 97 -1.011 5.005 -4.661 1.00 0.00 C ATOM 0 H PHE A 97 3.238 0.705 -1.606 1.00 0.00 H new ATOM 0 HA PHE A 97 1.163 2.694 -0.882 1.00 0.00 H new ATOM 0 HB2 PHE A 97 2.917 3.144 -2.622 1.00 0.00 H new ATOM 0 HB3 PHE A 97 2.346 1.759 -3.531 1.00 0.00 H new ATOM 0 HD1 PHE A 97 0.127 1.789 -4.662 1.00 0.00 H new ATOM 0 HD2 PHE A 97 1.652 5.231 -2.524 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -1.688 3.199 -5.653 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -0.115 6.643 -3.561 1.00 0.00 H new ATOM 0 HZ PHE A 97 -1.786 5.623 -5.091 1.00 0.00 H new ATOM 1517 N PRO A 98 -0.924 1.418 -1.487 1.00 0.00 N ATOM 1518 CA PRO A 98 -2.154 0.643 -1.749 1.00 0.00 C ATOM 1519 C PRO A 98 -2.510 0.619 -3.241 1.00 0.00 C ATOM 1520 O PRO A 98 -2.955 1.605 -3.833 1.00 0.00 O ATOM 1521 CB PRO A 98 -3.234 1.314 -0.905 1.00 0.00 C ATOM 1522 CG PRO A 98 -2.779 2.770 -0.908 1.00 0.00 C ATOM 1523 CD PRO A 98 -1.253 2.666 -0.790 1.00 0.00 C ATOM 0 HA PRO A 98 -2.035 -0.407 -1.481 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -4.226 1.195 -1.342 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -3.278 0.902 0.103 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -3.077 3.282 -1.823 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -3.209 3.327 -0.076 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -0.758 3.522 -1.250 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -0.935 2.636 0.252 1.00 0.00 H new ATOM 1531 N THR A 99 -2.223 -0.527 -3.851 1.00 0.00 N ATOM 1532 CA THR A 99 -2.477 -0.749 -5.281 1.00 0.00 C ATOM 1533 C THR A 99 -3.872 -1.357 -5.520 1.00 0.00 C ATOM 1534 O THR A 99 -4.428 -2.070 -4.686 1.00 0.00 O ATOM 1535 CB THR A 99 -1.370 -1.585 -5.949 1.00 0.00 C ATOM 1536 OG1 THR A 99 -1.644 -1.702 -7.352 1.00 0.00 O ATOM 1537 CG2 THR A 99 -1.165 -2.982 -5.354 1.00 0.00 C ATOM 0 H THR A 99 -1.809 -1.329 -3.375 1.00 0.00 H new ATOM 0 HA THR A 99 -2.460 0.230 -5.759 1.00 0.00 H new ATOM 0 HB THR A 99 -0.441 -1.046 -5.762 1.00 0.00 H new ATOM 0 HG1 THR A 99 -0.940 -2.232 -7.780 1.00 0.00 H new ATOM 0 HG21 THR A 99 -0.365 -3.492 -5.891 1.00 0.00 H new ATOM 0 HG22 THR A 99 -0.896 -2.893 -4.301 1.00 0.00 H new ATOM 0 HG23 THR A 99 -2.087 -3.556 -5.446 1.00 0.00 H new ATOM 1545 N PHE A 100 -4.474 -0.913 -6.609 1.00 0.00 N ATOM 1546 CA PHE A 100 -5.840 -1.318 -6.997 1.00 0.00 C ATOM 1547 C PHE A 100 -5.848 -2.228 -8.239 1.00 0.00 C ATOM 1548 O PHE A 100 -5.025 -2.017 -9.132 1.00 0.00 O ATOM 1549 CB PHE A 100 -6.700 -0.056 -7.185 1.00 0.00 C ATOM 1550 CG PHE A 100 -7.079 0.550 -5.831 1.00 0.00 C ATOM 1551 CD1 PHE A 100 -6.090 1.046 -4.951 1.00 0.00 C ATOM 1552 CD2 PHE A 100 -8.449 0.622 -5.483 1.00 0.00 C ATOM 1553 CE1 PHE A 100 -6.459 1.594 -3.703 1.00 0.00 C ATOM 1554 CE2 PHE A 100 -8.835 1.224 -4.268 1.00 0.00 C ATOM 1555 CZ PHE A 100 -7.826 1.709 -3.389 1.00 0.00 C ATOM 0 H PHE A 100 -4.039 -0.259 -7.260 1.00 0.00 H new ATOM 0 HA PHE A 100 -6.273 -1.921 -6.199 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -6.153 0.678 -7.777 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -7.603 -0.305 -7.742 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -5.049 1.006 -5.234 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -9.198 0.216 -6.147 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -5.705 1.919 -3.001 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -9.879 1.316 -4.008 1.00 0.00 H new ATOM 0 HZ PHE A 100 -8.116 2.176 -2.459 1.00 0.00 H new ATOM 1565 N PRO A 101 -6.777 -3.196 -8.318 1.00 0.00 N ATOM 1566 CA PRO A 101 -6.854 -4.151 -9.441 1.00 0.00 C ATOM 1567 C PRO A 101 -7.454 -3.530 -10.705 1.00 0.00 C ATOM 1568 O PRO A 101 -6.823 -3.611 -11.759 1.00 0.00 O ATOM 1569 CB PRO A 101 -7.685 -5.322 -8.924 1.00 0.00 C ATOM 1570 CG PRO A 101 -8.608 -4.701 -7.876 1.00 0.00 C ATOM 1571 CD PRO A 101 -7.842 -3.487 -7.326 1.00 0.00 C ATOM 0 HA PRO A 101 -5.859 -4.472 -9.749 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -8.254 -5.790 -9.727 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -7.053 -6.096 -8.488 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -9.558 -4.399 -8.318 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.838 -5.413 -7.083 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -8.505 -2.631 -7.201 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -7.415 -3.705 -6.347 1.00 0.00 H new ATOM 1579 N ASP A 102 -8.515 -2.731 -10.520 1.00 0.00 N ATOM 1580 CA ASP A 102 -9.156 -1.913 -11.580 1.00 0.00 C ATOM 1581 C ASP A 102 -8.117 -1.122 -12.388 1.00 0.00 C ATOM 1582 O ASP A 102 -8.302 -0.841 -13.570 1.00 0.00 O ATOM 1583 CB ASP A 102 -10.120 -0.933 -10.909 1.00 0.00 C ATOM 1584 CG ASP A 102 -11.480 -0.884 -11.623 1.00 0.00 C ATOM 1585 OD1 ASP A 102 -12.210 -1.880 -11.470 1.00 0.00 O ATOM 1586 OD2 ASP A 102 -11.789 0.196 -12.174 1.00 0.00 O ATOM 0 H ASP A 102 -8.967 -2.628 -9.612 1.00 0.00 H new ATOM 0 HA ASP A 102 -9.681 -2.576 -12.267 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -10.267 -1.224 -9.869 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -9.678 0.063 -10.902 1.00 0.00 H new ATOM 1591 N GLY A 103 -7.057 -0.760 -11.667 1.00 0.00 N ATOM 1592 CA GLY A 103 -5.909 -0.040 -12.200 1.00 0.00 C ATOM 1593 C GLY A 103 -6.062 1.476 -12.197 1.00 0.00 C ATOM 1594 O GLY A 103 -5.287 2.206 -12.810 1.00 0.00 O ATOM 0 H GLY A 103 -6.974 -0.966 -10.671 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -5.026 -0.305 -11.618 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -5.729 -0.373 -13.222 1.00 0.00 H new ATOM 1598 N HIS A 104 -6.982 1.886 -11.343 1.00 0.00 N ATOM 1599 CA HIS A 104 -7.190 3.297 -11.052 1.00 0.00 C ATOM 1600 C HIS A 104 -6.253 3.696 -9.914 1.00 0.00 C ATOM 1601 O HIS A 104 -6.061 2.948 -8.945 1.00 0.00 O ATOM 1602 CB HIS A 104 -8.672 3.587 -10.721 1.00 0.00 C ATOM 1603 CG HIS A 104 -9.188 3.010 -9.398 1.00 0.00 C ATOM 1604 ND1 HIS A 104 -10.041 2.001 -9.245 1.00 0.00 N ATOM 1605 CD2 HIS A 104 -8.943 3.513 -8.190 1.00 0.00 C ATOM 1606 CE1 HIS A 104 -10.303 1.873 -7.957 1.00 0.00 C ATOM 1607 NE2 HIS A 104 -9.622 2.796 -7.304 1.00 0.00 N ATOM 0 H HIS A 104 -7.603 1.257 -10.834 1.00 0.00 H new ATOM 0 HA HIS A 104 -6.956 3.899 -11.930 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -8.816 4.667 -10.704 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -9.288 3.196 -11.531 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -8.304 4.356 -7.970 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -10.961 1.140 -7.514 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -9.618 2.934 -6.293 1.00 0.00 H new ATOM 1616 N ASP A 105 -5.464 4.699 -10.238 1.00 0.00 N ATOM 1617 CA ASP A 105 -4.577 5.344 -9.267 1.00 0.00 C ATOM 1618 C ASP A 105 -5.368 6.023 -8.155 1.00 0.00 C ATOM 1619 O ASP A 105 -5.803 7.169 -8.266 1.00 0.00 O ATOM 1620 CB ASP A 105 -3.625 6.331 -9.979 1.00 0.00 C ATOM 1621 CG ASP A 105 -4.279 7.247 -11.017 1.00 0.00 C ATOM 1622 OD1 ASP A 105 -5.411 7.749 -10.790 1.00 0.00 O ATOM 1623 OD2 ASP A 105 -3.720 7.283 -12.133 1.00 0.00 O ATOM 0 H ASP A 105 -5.412 5.096 -11.176 1.00 0.00 H new ATOM 0 HA ASP A 105 -3.968 4.573 -8.795 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -3.144 6.953 -9.224 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -2.838 5.759 -10.470 1.00 0.00 H new ATOM 1628 N TYR A 106 -5.698 5.213 -7.155 1.00 0.00 N ATOM 1629 CA TYR A 106 -6.429 5.674 -5.968 1.00 0.00 C ATOM 1630 C TYR A 106 -5.891 7.035 -5.525 1.00 0.00 C ATOM 1631 O TYR A 106 -4.681 7.252 -5.477 1.00 0.00 O ATOM 1632 CB TYR A 106 -6.210 4.652 -4.874 1.00 0.00 C ATOM 1633 CG TYR A 106 -6.490 5.125 -3.439 1.00 0.00 C ATOM 1634 CD1 TYR A 106 -7.812 5.335 -2.992 1.00 0.00 C ATOM 1635 CD2 TYR A 106 -5.360 5.392 -2.643 1.00 0.00 C ATOM 1636 CE1 TYR A 106 -8.012 5.847 -1.697 1.00 0.00 C ATOM 1637 CE2 TYR A 106 -5.560 5.904 -1.348 1.00 0.00 C ATOM 1638 CZ TYR A 106 -6.879 6.121 -0.906 1.00 0.00 C ATOM 1639 OH TYR A 106 -7.030 6.654 0.318 1.00 0.00 O ATOM 0 H TYR A 106 -5.469 4.219 -7.139 1.00 0.00 H new ATOM 0 HA TYR A 106 -7.492 5.780 -6.186 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -6.843 3.789 -5.080 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -5.176 4.310 -4.927 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -8.653 5.107 -3.631 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -4.364 5.208 -3.017 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -9.008 6.025 -1.319 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -4.720 6.126 -0.707 1.00 0.00 H new ATOM 0 HH TYR A 106 -7.527 6.030 0.887 1.00 0.00 H new ATOM 1649 N LYS A 107 -6.846 7.897 -5.187 1.00 0.00 N ATOM 1650 CA LYS A 107 -6.547 9.250 -4.671 1.00 0.00 C ATOM 1651 C LYS A 107 -5.839 9.165 -3.304 1.00 0.00 C ATOM 1652 O LYS A 107 -6.429 9.223 -2.228 1.00 0.00 O ATOM 1653 CB LYS A 107 -7.801 10.130 -4.651 1.00 0.00 C ATOM 1654 CG LYS A 107 -8.963 9.505 -3.869 1.00 0.00 C ATOM 1655 CD LYS A 107 -10.119 9.061 -4.747 1.00 0.00 C ATOM 1656 CE LYS A 107 -11.225 10.109 -4.680 1.00 0.00 C ATOM 1657 NZ LYS A 107 -12.514 9.406 -4.770 1.00 0.00 N ATOM 0 H LYS A 107 -7.842 7.690 -5.258 1.00 0.00 H new ATOM 0 HA LYS A 107 -5.852 9.740 -5.353 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -7.553 11.096 -4.211 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -8.121 10.319 -5.676 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -8.593 8.646 -3.309 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -9.329 10.227 -3.139 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -9.783 8.934 -5.776 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -10.496 8.094 -4.413 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -11.161 10.673 -3.750 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -11.123 10.826 -5.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -13.290 10.097 -4.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -12.563 8.885 -5.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -12.601 8.738 -3.978 1.00 0.00 H new ATOM 1671 N PHE A 108 -4.531 9.001 -3.413 1.00 0.00 N ATOM 1672 CA PHE A 108 -3.638 8.913 -2.244 1.00 0.00 C ATOM 1673 C PHE A 108 -3.225 10.285 -1.682 1.00 0.00 C ATOM 1674 O PHE A 108 -2.511 10.438 -0.700 1.00 0.00 O ATOM 1675 CB PHE A 108 -2.422 8.029 -2.535 1.00 0.00 C ATOM 1676 CG PHE A 108 -1.502 8.647 -3.585 1.00 0.00 C ATOM 1677 CD1 PHE A 108 -0.571 9.628 -3.167 1.00 0.00 C ATOM 1678 CD2 PHE A 108 -1.688 8.337 -4.953 1.00 0.00 C ATOM 1679 CE1 PHE A 108 0.135 10.341 -4.142 1.00 0.00 C ATOM 1680 CE2 PHE A 108 -0.942 9.021 -5.919 1.00 0.00 C ATOM 1681 CZ PHE A 108 -0.039 10.026 -5.506 1.00 0.00 C ATOM 0 H PHE A 108 -4.048 8.924 -4.308 1.00 0.00 H new ATOM 0 HA PHE A 108 -4.220 8.436 -1.456 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -1.863 7.867 -1.613 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -2.759 7.051 -2.879 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -0.409 9.822 -2.117 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -2.399 7.580 -5.249 1.00 0.00 H new ATOM 0 HE1 PHE A 108 0.812 11.131 -3.851 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -1.055 8.784 -6.967 1.00 0.00 H new ATOM 0 HZ PHE A 108 0.530 10.564 -6.250 1.00 0.00 H new ATOM 1691 N ASP A 109 -3.518 11.292 -2.486 1.00 0.00 N ATOM 1692 CA ASP A 109 -3.305 12.693 -2.116 1.00 0.00 C ATOM 1693 C ASP A 109 -4.544 13.300 -1.431 1.00 0.00 C ATOM 1694 O ASP A 109 -4.452 14.378 -0.854 1.00 0.00 O ATOM 1695 CB ASP A 109 -2.889 13.463 -3.381 1.00 0.00 C ATOM 1696 CG ASP A 109 -2.949 14.975 -3.218 1.00 0.00 C ATOM 1697 OD1 ASP A 109 -2.229 15.499 -2.338 1.00 0.00 O ATOM 1698 OD2 ASP A 109 -3.806 15.556 -3.927 1.00 0.00 O ATOM 0 H ASP A 109 -3.912 11.168 -3.419 1.00 0.00 H new ATOM 0 HA ASP A 109 -2.508 12.766 -1.376 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -1.874 13.175 -3.655 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -3.538 13.168 -4.206 1.00 0.00 H new ATOM 1703 N SER A 110 -5.655 12.570 -1.431 1.00 0.00 N ATOM 1704 CA SER A 110 -6.915 13.065 -0.843 1.00 0.00 C ATOM 1705 C SER A 110 -6.974 12.700 0.638 1.00 0.00 C ATOM 1706 O SER A 110 -7.158 11.530 0.988 1.00 0.00 O ATOM 1707 CB SER A 110 -8.107 12.460 -1.573 1.00 0.00 C ATOM 1708 OG SER A 110 -9.053 13.485 -1.824 1.00 0.00 O ATOM 0 H SER A 110 -5.718 11.633 -1.829 1.00 0.00 H new ATOM 0 HA SER A 110 -6.951 14.149 -0.946 1.00 0.00 H new ATOM 0 HB2 SER A 110 -7.785 12.005 -2.510 1.00 0.00 H new ATOM 0 HB3 SER A 110 -8.557 11.669 -0.972 1.00 0.00 H new ATOM 0 HG SER A 110 -9.825 13.109 -2.296 1.00 0.00 H new ATOM 1714 N LYS A 111 -6.522 13.653 1.456 1.00 0.00 N ATOM 1715 CA LYS A 111 -6.504 13.493 2.920 1.00 0.00 C ATOM 1716 C LYS A 111 -7.894 13.251 3.494 1.00 0.00 C ATOM 1717 O LYS A 111 -8.212 12.169 3.997 1.00 0.00 O ATOM 1718 CB LYS A 111 -5.820 14.690 3.622 1.00 0.00 C ATOM 1719 CG LYS A 111 -5.165 14.186 4.913 1.00 0.00 C ATOM 1720 CD LYS A 111 -4.974 15.272 5.973 1.00 0.00 C ATOM 1721 CE LYS A 111 -5.049 14.610 7.355 1.00 0.00 C ATOM 1722 NZ LYS A 111 -3.716 14.347 7.927 1.00 0.00 N ATOM 0 H LYS A 111 -6.161 14.550 1.131 1.00 0.00 H new ATOM 0 HA LYS A 111 -5.909 12.602 3.121 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -5.072 15.137 2.967 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -6.552 15.466 3.846 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -5.776 13.386 5.331 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -4.195 13.752 4.672 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -4.012 15.768 5.841 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -5.744 16.038 5.876 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -5.611 15.253 8.032 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -5.599 13.672 7.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -3.821 13.900 8.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -3.187 13.712 7.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -3.199 15.244 8.029 1.00 0.00 H new ATOM 1736 N LYS A 112 -8.707 14.285 3.353 1.00 0.00 N ATOM 1737 CA LYS A 112 -10.109 14.267 3.756 1.00 0.00 C ATOM 1738 C LYS A 112 -11.007 14.806 2.626 1.00 0.00 C ATOM 1739 O LYS A 112 -10.640 15.792 1.990 1.00 0.00 O ATOM 1740 CB LYS A 112 -10.325 14.920 5.122 1.00 0.00 C ATOM 1741 CG LYS A 112 -9.736 16.328 5.264 1.00 0.00 C ATOM 1742 CD LYS A 112 -10.803 17.413 5.425 1.00 0.00 C ATOM 1743 CE LYS A 112 -11.371 17.894 4.089 1.00 0.00 C ATOM 1744 NZ LYS A 112 -11.937 19.231 4.260 1.00 0.00 N ATOM 0 H LYS A 112 -8.410 15.174 2.950 1.00 0.00 H new ATOM 0 HA LYS A 112 -10.419 13.233 3.909 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -11.396 14.968 5.320 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -9.887 14.280 5.888 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -9.070 16.351 6.127 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -9.129 16.551 4.387 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -11.615 17.028 6.041 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -10.373 18.261 5.958 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -10.587 17.912 3.332 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -12.138 17.204 3.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -12.325 19.562 3.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -12.696 19.198 4.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -11.193 19.885 4.578 1.00 0.00 H new ATOM 1758 N PRO A 113 -11.969 13.978 2.197 1.00 0.00 N ATOM 1759 CA PRO A 113 -12.155 12.579 2.636 1.00 0.00 C ATOM 1760 C PRO A 113 -11.109 11.663 1.992 1.00 0.00 C ATOM 1761 O PRO A 113 -10.238 12.099 1.236 1.00 0.00 O ATOM 1762 CB PRO A 113 -13.592 12.249 2.245 1.00 0.00 C ATOM 1763 CG PRO A 113 -13.844 13.097 1.007 1.00 0.00 C ATOM 1764 CD PRO A 113 -13.026 14.372 1.238 1.00 0.00 C ATOM 0 HA PRO A 113 -12.008 12.433 3.706 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -13.713 11.187 2.032 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -14.290 12.495 3.046 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -13.526 12.581 0.101 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -14.904 13.322 0.890 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -12.597 14.740 0.306 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -13.647 15.172 1.641 1.00 0.00 H new ATOM 1772 N LYS A 114 -11.205 10.393 2.362 1.00 0.00 N ATOM 1773 CA LYS A 114 -10.256 9.356 1.923 1.00 0.00 C ATOM 1774 C LYS A 114 -10.967 8.011 2.008 1.00 0.00 C ATOM 1775 O LYS A 114 -11.266 7.508 3.094 1.00 0.00 O ATOM 1776 CB LYS A 114 -9.032 9.404 2.844 1.00 0.00 C ATOM 1777 CG LYS A 114 -8.040 8.290 2.528 1.00 0.00 C ATOM 1778 CD LYS A 114 -7.497 7.625 3.794 1.00 0.00 C ATOM 1779 CE LYS A 114 -6.853 6.269 3.493 1.00 0.00 C ATOM 1780 NZ LYS A 114 -7.858 5.203 3.375 1.00 0.00 N ATOM 0 H LYS A 114 -11.941 10.043 2.976 1.00 0.00 H new ATOM 0 HA LYS A 114 -9.921 9.514 0.898 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -8.538 10.370 2.741 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -9.355 9.319 3.882 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -8.526 7.539 1.905 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -7.211 8.697 1.949 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -6.762 8.280 4.262 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -8.307 7.491 4.511 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -6.282 6.335 2.567 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -6.147 6.018 4.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -7.396 4.322 3.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -8.316 5.054 4.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -8.575 5.478 2.673 1.00 0.00 H new ATOM 1794 N GLU A 115 -11.351 7.515 0.838 1.00 0.00 N ATOM 1795 CA GLU A 115 -11.974 6.188 0.713 1.00 0.00 C ATOM 1796 C GLU A 115 -11.034 5.131 1.330 1.00 0.00 C ATOM 1797 O GLU A 115 -9.811 5.277 1.272 1.00 0.00 O ATOM 1798 CB GLU A 115 -12.261 5.852 -0.764 1.00 0.00 C ATOM 1799 CG GLU A 115 -13.008 4.519 -0.901 1.00 0.00 C ATOM 1800 CD GLU A 115 -13.293 4.141 -2.360 1.00 0.00 C ATOM 1801 OE1 GLU A 115 -12.413 3.485 -2.955 1.00 0.00 O ATOM 1802 OE2 GLU A 115 -14.386 4.524 -2.823 1.00 0.00 O ATOM 0 H GLU A 115 -11.244 8.010 -0.047 1.00 0.00 H new ATOM 0 HA GLU A 115 -12.925 6.189 1.245 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -12.853 6.650 -1.212 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -11.323 5.803 -1.316 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -12.419 3.729 -0.435 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -13.950 4.579 -0.356 1.00 0.00 H new ATOM 1809 N ASN A 116 -11.655 4.080 1.849 1.00 0.00 N ATOM 1810 CA ASN A 116 -10.948 2.921 2.430 1.00 0.00 C ATOM 1811 C ASN A 116 -9.849 2.423 1.464 1.00 0.00 C ATOM 1812 O ASN A 116 -10.039 2.494 0.253 1.00 0.00 O ATOM 1813 CB ASN A 116 -11.946 1.784 2.687 1.00 0.00 C ATOM 1814 CG ASN A 116 -11.575 1.077 3.987 1.00 0.00 C ATOM 1815 OD1 ASN A 116 -11.075 -0.038 4.037 1.00 0.00 O ATOM 1816 ND2 ASN A 116 -11.699 1.798 5.080 1.00 0.00 N ATOM 0 H ASN A 116 -12.671 3.997 1.884 1.00 0.00 H new ATOM 0 HA ASN A 116 -10.487 3.228 3.369 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -12.959 2.181 2.751 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -11.932 1.077 1.857 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -11.377 1.428 5.974 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -12.117 2.727 5.033 1.00 0.00 H new ATOM 1823 N PRO A 117 -8.684 2.054 2.010 1.00 0.00 N ATOM 1824 CA PRO A 117 -7.561 1.598 1.176 1.00 0.00 C ATOM 1825 C PRO A 117 -7.841 0.196 0.598 1.00 0.00 C ATOM 1826 O PRO A 117 -8.981 -0.259 0.581 1.00 0.00 O ATOM 1827 CB PRO A 117 -6.356 1.671 2.123 1.00 0.00 C ATOM 1828 CG PRO A 117 -6.950 1.390 3.504 1.00 0.00 C ATOM 1829 CD PRO A 117 -8.322 2.042 3.449 1.00 0.00 C ATOM 0 HA PRO A 117 -7.386 2.204 0.287 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -5.596 0.936 1.859 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -5.879 2.650 2.086 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -7.023 0.320 3.698 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -6.336 1.816 4.298 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -9.050 1.480 4.034 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -8.296 3.052 3.858 1.00 0.00 H new ATOM 1837 N GLY A 118 -6.786 -0.451 0.130 1.00 0.00 N ATOM 1838 CA GLY A 118 -6.859 -1.770 -0.531 1.00 0.00 C ATOM 1839 C GLY A 118 -6.029 -2.820 0.232 1.00 0.00 C ATOM 1840 O GLY A 118 -5.104 -2.430 0.944 1.00 0.00 O ATOM 0 H GLY A 118 -5.837 -0.081 0.193 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -7.898 -2.095 -0.588 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -6.494 -1.688 -1.555 1.00 0.00 H new ATOM 1844 N PRO A 119 -6.354 -4.114 0.086 1.00 0.00 N ATOM 1845 CA PRO A 119 -5.577 -5.211 0.704 1.00 0.00 C ATOM 1846 C PRO A 119 -4.218 -5.398 0.011 1.00 0.00 C ATOM 1847 O PRO A 119 -3.181 -5.277 0.656 1.00 0.00 O ATOM 1848 CB PRO A 119 -6.449 -6.449 0.591 1.00 0.00 C ATOM 1849 CG PRO A 119 -7.423 -6.173 -0.552 1.00 0.00 C ATOM 1850 CD PRO A 119 -7.542 -4.654 -0.618 1.00 0.00 C ATOM 0 HA PRO A 119 -5.339 -4.995 1.746 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -5.846 -7.334 0.385 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -6.983 -6.637 1.522 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -7.052 -6.580 -1.493 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -8.392 -6.636 -0.364 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -7.571 -4.311 -1.652 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -8.463 -4.315 -0.144 1.00 0.00 H new ATOM 1858 N ALA A 120 -4.276 -5.693 -1.283 1.00 0.00 N ATOM 1859 CA ALA A 120 -3.085 -5.845 -2.129 1.00 0.00 C ATOM 1860 C ALA A 120 -2.381 -4.503 -2.352 1.00 0.00 C ATOM 1861 O ALA A 120 -2.942 -3.534 -2.843 1.00 0.00 O ATOM 1862 CB ALA A 120 -3.432 -6.545 -3.432 1.00 0.00 C ATOM 0 H ALA A 120 -5.154 -5.835 -1.783 1.00 0.00 H new ATOM 0 HA ALA A 120 -2.373 -6.482 -1.604 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -2.534 -6.646 -4.041 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -3.838 -7.534 -3.217 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -4.174 -5.958 -3.974 1.00 0.00 H new ATOM 1868 N ARG A 121 -1.221 -4.464 -1.733 1.00 0.00 N ATOM 1869 CA ARG A 121 -0.369 -3.266 -1.703 1.00 0.00 C ATOM 1870 C ARG A 121 0.965 -3.550 -2.386 1.00 0.00 C ATOM 1871 O ARG A 121 1.527 -4.640 -2.261 1.00 0.00 O ATOM 1872 CB ARG A 121 -0.147 -2.834 -0.253 1.00 0.00 C ATOM 1873 CG ARG A 121 -1.469 -2.541 0.458 1.00 0.00 C ATOM 1874 CD ARG A 121 -1.301 -1.649 1.685 1.00 0.00 C ATOM 1875 NE ARG A 121 -1.088 -2.389 2.940 1.00 0.00 N ATOM 1876 CZ ARG A 121 -1.237 -1.870 4.164 1.00 0.00 C ATOM 1877 NH1 ARG A 121 -1.549 -0.585 4.325 1.00 0.00 N ATOM 1878 NH2 ARG A 121 -1.053 -2.610 5.245 1.00 0.00 N ATOM 0 H ARG A 121 -0.829 -5.260 -1.230 1.00 0.00 H new ATOM 0 HA ARG A 121 -0.864 -2.458 -2.243 1.00 0.00 H new ATOM 0 HB2 ARG A 121 0.388 -3.618 0.283 1.00 0.00 H new ATOM 0 HB3 ARG A 121 0.483 -1.945 -0.230 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -2.153 -2.062 -0.242 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -1.929 -3.482 0.760 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -0.456 -0.980 1.522 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -2.187 -1.023 1.790 1.00 0.00 H new ATOM 0 HE ARG A 121 -0.807 -3.367 2.871 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -1.677 0.015 3.510 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -1.660 -0.201 5.263 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -0.793 -3.592 5.153 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -1.171 -2.198 6.171 1.00 0.00 H new ATOM 1892 N VAL A 122 1.438 -2.540 -3.103 1.00 0.00 N ATOM 1893 CA VAL A 122 2.723 -2.610 -3.817 1.00 0.00 C ATOM 1894 C VAL A 122 3.872 -2.224 -2.870 1.00 0.00 C ATOM 1895 O VAL A 122 3.786 -1.258 -2.126 1.00 0.00 O ATOM 1896 CB VAL A 122 2.690 -1.770 -5.108 1.00 0.00 C ATOM 1897 CG1 VAL A 122 2.675 -0.258 -4.904 1.00 0.00 C ATOM 1898 CG2 VAL A 122 3.894 -2.128 -5.985 1.00 0.00 C ATOM 0 H VAL A 122 0.951 -1.650 -3.211 1.00 0.00 H new ATOM 0 HA VAL A 122 2.903 -3.636 -4.137 1.00 0.00 H new ATOM 0 HB VAL A 122 1.742 -2.022 -5.583 1.00 0.00 H new ATOM 0 HG11 VAL A 122 2.652 0.240 -5.873 1.00 0.00 H new ATOM 0 HG12 VAL A 122 1.792 0.023 -4.331 1.00 0.00 H new ATOM 0 HG13 VAL A 122 3.571 0.045 -4.362 1.00 0.00 H new ATOM 0 HG21 VAL A 122 3.869 -1.533 -6.898 1.00 0.00 H new ATOM 0 HG22 VAL A 122 4.815 -1.919 -5.441 1.00 0.00 H new ATOM 0 HG23 VAL A 122 3.856 -3.187 -6.241 1.00 0.00 H new ATOM 1908 N ILE A 123 4.937 -3.007 -2.983 1.00 0.00 N ATOM 1909 CA ILE A 123 6.144 -2.814 -2.176 1.00 0.00 C ATOM 1910 C ILE A 123 7.318 -2.511 -3.117 1.00 0.00 C ATOM 1911 O ILE A 123 7.428 -3.070 -4.209 1.00 0.00 O ATOM 1912 CB ILE A 123 6.456 -4.045 -1.301 1.00 0.00 C ATOM 1913 CG1 ILE A 123 5.214 -4.613 -0.579 1.00 0.00 C ATOM 1914 CG2 ILE A 123 7.563 -3.729 -0.295 1.00 0.00 C ATOM 1915 CD1 ILE A 123 4.455 -3.597 0.269 1.00 0.00 C ATOM 0 H ILE A 123 4.993 -3.792 -3.632 1.00 0.00 H new ATOM 0 HA ILE A 123 5.981 -1.978 -1.495 1.00 0.00 H new ATOM 0 HB ILE A 123 6.801 -4.823 -1.982 1.00 0.00 H new ATOM 0 HG12 ILE A 123 4.534 -5.026 -1.324 1.00 0.00 H new ATOM 0 HG13 ILE A 123 5.527 -5.439 0.060 1.00 0.00 H new ATOM 0 HG21 ILE A 123 7.766 -4.612 0.311 1.00 0.00 H new ATOM 0 HG22 ILE A 123 8.468 -3.439 -0.829 1.00 0.00 H new ATOM 0 HG23 ILE A 123 7.245 -2.911 0.351 1.00 0.00 H new ATOM 0 HD11 ILE A 123 3.599 -4.082 0.739 1.00 0.00 H new ATOM 0 HD12 ILE A 123 5.116 -3.201 1.040 1.00 0.00 H new ATOM 0 HD13 ILE A 123 4.107 -2.781 -0.365 1.00 0.00 H new ATOM 1927 N TYR A 124 8.148 -1.596 -2.641 1.00 0.00 N ATOM 1928 CA TYR A 124 9.296 -1.052 -3.398 1.00 0.00 C ATOM 1929 C TYR A 124 10.201 -0.182 -2.531 1.00 0.00 C ATOM 1930 O TYR A 124 9.745 0.355 -1.524 1.00 0.00 O ATOM 1931 CB TYR A 124 8.779 -0.209 -4.583 1.00 0.00 C ATOM 1932 CG TYR A 124 7.877 0.957 -4.165 1.00 0.00 C ATOM 1933 CD1 TYR A 124 6.528 0.724 -3.813 1.00 0.00 C ATOM 1934 CD2 TYR A 124 8.443 2.238 -4.103 1.00 0.00 C ATOM 1935 CE1 TYR A 124 5.738 1.801 -3.358 1.00 0.00 C ATOM 1936 CE2 TYR A 124 7.655 3.322 -3.677 1.00 0.00 C ATOM 1937 CZ TYR A 124 6.321 3.077 -3.310 1.00 0.00 C ATOM 1938 OH TYR A 124 5.575 4.131 -2.916 1.00 0.00 O ATOM 0 H TYR A 124 8.054 -1.196 -1.707 1.00 0.00 H new ATOM 0 HA TYR A 124 9.883 -1.900 -3.752 1.00 0.00 H new ATOM 0 HB2 TYR A 124 9.632 0.184 -5.137 1.00 0.00 H new ATOM 0 HB3 TYR A 124 8.227 -0.857 -5.264 1.00 0.00 H new ATOM 0 HD1 TYR A 124 6.107 -0.267 -3.891 1.00 0.00 H new ATOM 0 HD2 TYR A 124 9.476 2.391 -4.380 1.00 0.00 H new ATOM 0 HE1 TYR A 124 4.713 1.648 -3.055 1.00 0.00 H new ATOM 0 HE2 TYR A 124 8.066 4.320 -3.633 1.00 0.00 H new ATOM 0 HH TYR A 124 6.122 4.944 -2.935 1.00 0.00 H new ATOM 1948 N THR A 125 11.494 -0.280 -2.797 1.00 0.00 N ATOM 1949 CA THR A 125 12.529 0.465 -2.061 1.00 0.00 C ATOM 1950 C THR A 125 12.461 1.960 -2.418 1.00 0.00 C ATOM 1951 O THR A 125 11.517 2.391 -3.068 1.00 0.00 O ATOM 1952 CB THR A 125 13.929 -0.124 -2.342 1.00 0.00 C ATOM 1953 OG1 THR A 125 14.332 0.198 -3.675 1.00 0.00 O ATOM 1954 CG2 THR A 125 14.004 -1.648 -2.133 1.00 0.00 C ATOM 0 H THR A 125 11.867 -0.880 -3.533 1.00 0.00 H new ATOM 0 HA THR A 125 12.343 0.366 -0.992 1.00 0.00 H new ATOM 0 HB THR A 125 14.607 0.327 -1.618 1.00 0.00 H new ATOM 0 HG1 THR A 125 15.142 -0.305 -3.903 1.00 0.00 H new ATOM 0 HG21 THR A 125 15.015 -1.995 -2.348 1.00 0.00 H new ATOM 0 HG22 THR A 125 13.750 -1.887 -1.100 1.00 0.00 H new ATOM 0 HG23 THR A 125 13.301 -2.142 -2.803 1.00 0.00 H new ATOM 1962 N TYR A 126 13.521 2.715 -2.127 1.00 0.00 N ATOM 1963 CA TYR A 126 13.576 4.181 -2.359 1.00 0.00 C ATOM 1964 C TYR A 126 15.021 4.724 -2.205 1.00 0.00 C ATOM 1965 O TYR A 126 15.786 4.107 -1.466 1.00 0.00 O ATOM 1966 CB TYR A 126 12.588 4.862 -1.397 1.00 0.00 C ATOM 1967 CG TYR A 126 12.889 6.292 -0.987 1.00 0.00 C ATOM 1968 CD1 TYR A 126 12.550 7.392 -1.806 1.00 0.00 C ATOM 1969 CD2 TYR A 126 13.640 6.475 0.184 1.00 0.00 C ATOM 1970 CE1 TYR A 126 13.000 8.680 -1.475 1.00 0.00 C ATOM 1971 CE2 TYR A 126 14.060 7.773 0.526 1.00 0.00 C ATOM 1972 CZ TYR A 126 13.758 8.857 -0.309 1.00 0.00 C ATOM 1973 OH TYR A 126 14.196 10.087 0.042 1.00 0.00 O ATOM 0 H TYR A 126 14.377 2.336 -1.721 1.00 0.00 H new ATOM 0 HA TYR A 126 13.283 4.407 -3.384 1.00 0.00 H new ATOM 0 HB2 TYR A 126 11.601 4.844 -1.859 1.00 0.00 H new ATOM 0 HB3 TYR A 126 12.527 4.257 -0.492 1.00 0.00 H new ATOM 0 HD1 TYR A 126 11.944 7.242 -2.687 1.00 0.00 H new ATOM 0 HD2 TYR A 126 13.891 5.633 0.812 1.00 0.00 H new ATOM 0 HE1 TYR A 126 12.766 9.522 -2.109 1.00 0.00 H new ATOM 0 HE2 TYR A 126 14.618 7.935 1.436 1.00 0.00 H new ATOM 0 HH TYR A 126 14.475 10.079 0.981 1.00 0.00 H new ATOM 1983 N PRO A 127 15.416 5.705 -3.036 1.00 0.00 N ATOM 1984 CA PRO A 127 14.653 6.237 -4.187 1.00 0.00 C ATOM 1985 C PRO A 127 14.637 5.347 -5.425 1.00 0.00 C ATOM 1986 O PRO A 127 13.797 5.535 -6.300 1.00 0.00 O ATOM 1987 CB PRO A 127 15.246 7.617 -4.467 1.00 0.00 C ATOM 1988 CG PRO A 127 16.687 7.499 -3.984 1.00 0.00 C ATOM 1989 CD PRO A 127 16.637 6.514 -2.812 1.00 0.00 C ATOM 0 HA PRO A 127 13.595 6.284 -3.929 1.00 0.00 H new ATOM 0 HB2 PRO A 127 15.199 7.865 -5.527 1.00 0.00 H new ATOM 0 HB3 PRO A 127 14.708 8.400 -3.932 1.00 0.00 H new ATOM 0 HG2 PRO A 127 17.340 7.135 -4.777 1.00 0.00 H new ATOM 0 HG3 PRO A 127 17.077 8.467 -3.669 1.00 0.00 H new ATOM 0 HD2 PRO A 127 17.527 5.885 -2.788 1.00 0.00 H new ATOM 0 HD3 PRO A 127 16.592 7.039 -1.858 1.00 0.00 H new ATOM 1997 N ASN A 128 15.386 4.252 -5.314 1.00 0.00 N ATOM 1998 CA ASN A 128 15.483 3.191 -6.331 1.00 0.00 C ATOM 1999 C ASN A 128 14.087 2.772 -6.810 1.00 0.00 C ATOM 2000 O ASN A 128 13.881 2.612 -8.012 1.00 0.00 O ATOM 2001 CB ASN A 128 16.138 1.945 -5.705 1.00 0.00 C ATOM 2002 CG ASN A 128 17.403 2.213 -4.894 1.00 0.00 C ATOM 2003 OD1 ASN A 128 18.224 3.078 -5.183 1.00 0.00 O ATOM 2004 ND2 ASN A 128 17.502 1.559 -3.766 1.00 0.00 N ATOM 0 H ASN A 128 15.961 4.067 -4.492 1.00 0.00 H new ATOM 0 HA ASN A 128 16.069 3.576 -7.166 1.00 0.00 H new ATOM 0 HB2 ASN A 128 15.408 1.457 -5.059 1.00 0.00 H new ATOM 0 HB3 ASN A 128 16.379 1.242 -6.502 1.00 0.00 H new ATOM 0 HD21 ASN A 128 18.264 1.767 -3.121 1.00 0.00 H new ATOM 0 HD22 ASN A 128 16.817 0.841 -3.531 1.00 0.00 H new ATOM 2011 N LYS A 129 13.181 2.570 -5.848 1.00 0.00 N ATOM 2012 CA LYS A 129 11.794 2.150 -6.111 1.00 0.00 C ATOM 2013 C LYS A 129 11.731 0.824 -6.859 1.00 0.00 C ATOM 2014 O LYS A 129 10.784 0.551 -7.610 1.00 0.00 O ATOM 2015 CB LYS A 129 11.030 3.210 -6.905 1.00 0.00 C ATOM 2016 CG LYS A 129 10.731 4.450 -6.087 1.00 0.00 C ATOM 2017 CD LYS A 129 9.848 5.391 -6.907 1.00 0.00 C ATOM 2018 CE LYS A 129 8.367 5.098 -6.726 1.00 0.00 C ATOM 2019 NZ LYS A 129 8.051 3.846 -7.428 1.00 0.00 N ATOM 0 H LYS A 129 13.387 2.693 -4.857 1.00 0.00 H new ATOM 0 HA LYS A 129 11.324 2.023 -5.136 1.00 0.00 H new ATOM 0 HB2 LYS A 129 11.612 3.490 -7.783 1.00 0.00 H new ATOM 0 HB3 LYS A 129 10.094 2.783 -7.266 1.00 0.00 H new ATOM 0 HG2 LYS A 129 10.228 4.176 -5.159 1.00 0.00 H new ATOM 0 HG3 LYS A 129 11.659 4.951 -5.811 1.00 0.00 H new ATOM 0 HD2 LYS A 129 10.050 6.422 -6.615 1.00 0.00 H new ATOM 0 HD3 LYS A 129 10.107 5.302 -7.962 1.00 0.00 H new ATOM 0 HE2 LYS A 129 8.125 5.010 -5.667 1.00 0.00 H new ATOM 0 HE3 LYS A 129 7.767 5.917 -7.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 7.131 3.937 -7.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 8.788 3.649 -8.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 8.011 3.065 -6.743 1.00 0.00 H new ATOM 2033 N VAL A 130 12.773 0.028 -6.632 1.00 0.00 N ATOM 2034 CA VAL A 130 12.968 -1.304 -7.228 1.00 0.00 C ATOM 2035 C VAL A 130 11.844 -2.178 -6.692 1.00 0.00 C ATOM 2036 O VAL A 130 11.884 -2.633 -5.545 1.00 0.00 O ATOM 2037 CB VAL A 130 14.354 -1.899 -6.876 1.00 0.00 C ATOM 2038 CG1 VAL A 130 14.541 -3.297 -7.481 1.00 0.00 C ATOM 2039 CG2 VAL A 130 15.488 -1.024 -7.421 1.00 0.00 C ATOM 0 H VAL A 130 13.534 0.296 -6.008 1.00 0.00 H new ATOM 0 HA VAL A 130 12.942 -1.244 -8.316 1.00 0.00 H new ATOM 0 HB VAL A 130 14.391 -1.948 -5.788 1.00 0.00 H new ATOM 0 HG11 VAL A 130 15.525 -3.681 -7.212 1.00 0.00 H new ATOM 0 HG12 VAL A 130 13.772 -3.966 -7.095 1.00 0.00 H new ATOM 0 HG13 VAL A 130 14.459 -3.238 -8.566 1.00 0.00 H new ATOM 0 HG21 VAL A 130 16.448 -1.467 -7.158 1.00 0.00 H new ATOM 0 HG22 VAL A 130 15.405 -0.955 -8.506 1.00 0.00 H new ATOM 0 HG23 VAL A 130 15.418 -0.026 -6.988 1.00 0.00 H new ATOM 2049 N PHE A 131 10.766 -2.121 -7.462 1.00 0.00 N ATOM 2050 CA PHE A 131 9.531 -2.889 -7.231 1.00 0.00 C ATOM 2051 C PHE A 131 9.910 -4.280 -6.706 1.00 0.00 C ATOM 2052 O PHE A 131 10.726 -4.983 -7.306 1.00 0.00 O ATOM 2053 CB PHE A 131 8.743 -2.937 -8.550 1.00 0.00 C ATOM 2054 CG PHE A 131 7.643 -3.995 -8.549 1.00 0.00 C ATOM 2055 CD1 PHE A 131 6.358 -3.664 -8.060 1.00 0.00 C ATOM 2056 CD2 PHE A 131 8.000 -5.332 -8.819 1.00 0.00 C ATOM 2057 CE1 PHE A 131 5.424 -4.691 -7.821 1.00 0.00 C ATOM 2058 CE2 PHE A 131 7.087 -6.362 -8.544 1.00 0.00 C ATOM 2059 CZ PHE A 131 5.800 -6.024 -8.069 1.00 0.00 C ATOM 0 H PHE A 131 10.716 -1.526 -8.289 1.00 0.00 H new ATOM 0 HA PHE A 131 8.892 -2.425 -6.480 1.00 0.00 H new ATOM 0 HB2 PHE A 131 8.299 -1.959 -8.737 1.00 0.00 H new ATOM 0 HB3 PHE A 131 9.431 -3.137 -9.371 1.00 0.00 H new ATOM 0 HD1 PHE A 131 6.095 -2.634 -7.872 1.00 0.00 H new ATOM 0 HD2 PHE A 131 8.970 -5.562 -9.235 1.00 0.00 H new ATOM 0 HE1 PHE A 131 4.435 -4.459 -7.453 1.00 0.00 H new ATOM 0 HE2 PHE A 131 7.364 -7.395 -8.693 1.00 0.00 H new ATOM 0 HZ PHE A 131 5.084 -6.812 -7.891 1.00 0.00 H new ATOM 2069 N CYS A 132 9.383 -4.561 -5.540 1.00 0.00 N ATOM 2070 CA CYS A 132 9.652 -5.825 -4.861 1.00 0.00 C ATOM 2071 C CYS A 132 8.558 -6.845 -5.213 1.00 0.00 C ATOM 2072 O CYS A 132 8.821 -7.824 -5.909 1.00 0.00 O ATOM 2073 CB CYS A 132 9.714 -5.568 -3.353 1.00 0.00 C ATOM 2074 SG CYS A 132 10.946 -4.315 -2.835 1.00 0.00 S ATOM 0 H CYS A 132 8.760 -3.934 -5.031 1.00 0.00 H new ATOM 0 HA CYS A 132 10.607 -6.238 -5.186 1.00 0.00 H new ATOM 0 HB2 CYS A 132 8.729 -5.250 -3.012 1.00 0.00 H new ATOM 0 HB3 CYS A 132 9.938 -6.507 -2.848 1.00 0.00 H new ATOM 2079 N GLY A 133 7.335 -6.469 -4.852 1.00 0.00 N ATOM 2080 CA GLY A 133 6.145 -7.323 -5.016 1.00 0.00 C ATOM 2081 C GLY A 133 4.858 -6.607 -4.638 1.00 0.00 C ATOM 2082 O GLY A 133 4.816 -5.386 -4.472 1.00 0.00 O ATOM 0 H GLY A 133 7.132 -5.561 -4.435 1.00 0.00 H new ATOM 0 HA2 GLY A 133 6.081 -7.656 -6.052 1.00 0.00 H new ATOM 0 HA3 GLY A 133 6.255 -8.216 -4.400 1.00 0.00 H new ATOM 2086 N ILE A 134 3.840 -7.449 -4.528 1.00 0.00 N ATOM 2087 CA ILE A 134 2.519 -7.059 -4.018 1.00 0.00 C ATOM 2088 C ILE A 134 2.151 -8.031 -2.894 1.00 0.00 C ATOM 2089 O ILE A 134 2.388 -9.233 -2.964 1.00 0.00 O ATOM 2090 CB ILE A 134 1.455 -6.976 -5.134 1.00 0.00 C ATOM 2091 CG1 ILE A 134 1.678 -5.729 -5.978 1.00 0.00 C ATOM 2092 CG2 ILE A 134 0.010 -6.921 -4.627 1.00 0.00 C ATOM 2093 CD1 ILE A 134 2.296 -6.060 -7.327 1.00 0.00 C ATOM 0 H ILE A 134 3.901 -8.433 -4.791 1.00 0.00 H new ATOM 0 HA ILE A 134 2.555 -6.046 -3.616 1.00 0.00 H new ATOM 0 HB ILE A 134 1.578 -7.895 -5.707 1.00 0.00 H new ATOM 0 HG12 ILE A 134 0.727 -5.219 -6.130 1.00 0.00 H new ATOM 0 HG13 ILE A 134 2.328 -5.038 -5.441 1.00 0.00 H new ATOM 0 HG21 ILE A 134 -0.671 -6.864 -5.476 1.00 0.00 H new ATOM 0 HG22 ILE A 134 -0.207 -7.818 -4.047 1.00 0.00 H new ATOM 0 HG23 ILE A 134 -0.121 -6.041 -3.997 1.00 0.00 H new ATOM 0 HD11 ILE A 134 2.438 -5.142 -7.897 1.00 0.00 H new ATOM 0 HD12 ILE A 134 3.260 -6.546 -7.176 1.00 0.00 H new ATOM 0 HD13 ILE A 134 1.634 -6.729 -7.876 1.00 0.00 H new ATOM 2105 N ILE A 135 1.691 -7.421 -1.815 1.00 0.00 N ATOM 2106 CA ILE A 135 1.270 -8.171 -0.628 1.00 0.00 C ATOM 2107 C ILE A 135 -0.150 -7.784 -0.231 1.00 0.00 C ATOM 2108 O ILE A 135 -0.509 -6.610 -0.251 1.00 0.00 O ATOM 2109 CB ILE A 135 2.266 -7.956 0.514 1.00 0.00 C ATOM 2110 CG1 ILE A 135 2.340 -6.484 0.900 1.00 0.00 C ATOM 2111 CG2 ILE A 135 3.660 -8.469 0.120 1.00 0.00 C ATOM 2112 CD1 ILE A 135 2.950 -6.320 2.273 1.00 0.00 C ATOM 0 H ILE A 135 1.597 -6.409 -1.729 1.00 0.00 H new ATOM 0 HA ILE A 135 1.262 -9.236 -0.859 1.00 0.00 H new ATOM 0 HB ILE A 135 1.915 -8.522 1.377 1.00 0.00 H new ATOM 0 HG12 ILE A 135 2.934 -5.940 0.166 1.00 0.00 H new ATOM 0 HG13 ILE A 135 1.341 -6.049 0.887 1.00 0.00 H new ATOM 0 HG21 ILE A 135 4.354 -8.307 0.945 1.00 0.00 H new ATOM 0 HG22 ILE A 135 3.606 -9.534 -0.105 1.00 0.00 H new ATOM 0 HG23 ILE A 135 4.011 -7.930 -0.760 1.00 0.00 H new ATOM 0 HD11 ILE A 135 2.993 -5.261 2.528 1.00 0.00 H new ATOM 0 HD12 ILE A 135 2.340 -6.846 3.007 1.00 0.00 H new ATOM 0 HD13 ILE A 135 3.958 -6.735 2.275 1.00 0.00 H new ATOM 2124 N ALA A 136 -0.933 -8.800 0.076 1.00 0.00 N ATOM 2125 CA ALA A 136 -2.339 -8.626 0.453 1.00 0.00 C ATOM 2126 C ALA A 136 -2.662 -9.432 1.699 1.00 0.00 C ATOM 2127 O ALA A 136 -2.128 -10.524 1.900 1.00 0.00 O ATOM 2128 CB ALA A 136 -3.281 -9.083 -0.658 1.00 0.00 C ATOM 0 H ALA A 136 -0.622 -9.771 0.074 1.00 0.00 H new ATOM 0 HA ALA A 136 -2.484 -7.562 0.638 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -4.314 -8.939 -0.342 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -3.092 -8.498 -1.558 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -3.110 -10.139 -0.868 1.00 0.00 H new ATOM 2134 N HIS A 137 -3.663 -8.944 2.397 1.00 0.00 N ATOM 2135 CA HIS A 137 -4.110 -9.619 3.622 1.00 0.00 C ATOM 2136 C HIS A 137 -5.093 -10.715 3.199 1.00 0.00 C ATOM 2137 O HIS A 137 -6.263 -10.456 2.953 1.00 0.00 O ATOM 2138 CB HIS A 137 -4.798 -8.612 4.516 1.00 0.00 C ATOM 2139 CG HIS A 137 -3.981 -7.350 4.830 1.00 0.00 C ATOM 2140 ND1 HIS A 137 -3.438 -7.043 6.000 1.00 0.00 N ATOM 2141 CD2 HIS A 137 -3.852 -6.297 4.030 1.00 0.00 C ATOM 2142 CE1 HIS A 137 -3.009 -5.786 5.944 1.00 0.00 C ATOM 2143 NE2 HIS A 137 -3.230 -5.348 4.716 1.00 0.00 N ATOM 0 H HIS A 137 -4.182 -8.100 2.155 1.00 0.00 H new ATOM 0 HA HIS A 137 -3.273 -10.052 4.170 1.00 0.00 H new ATOM 0 HB2 HIS A 137 -5.734 -8.312 4.045 1.00 0.00 H new ATOM 0 HB3 HIS A 137 -5.057 -9.101 5.455 1.00 0.00 H new ATOM 0 HD1 HIS A 137 -3.362 -7.665 6.805 1.00 0.00 H new ATOM 0 HD2 HIS A 137 -4.192 -6.227 3.007 1.00 0.00 H new ATOM 0 HE1 HIS A 137 -2.562 -5.226 6.752 1.00 0.00 H new ATOM 2152 N THR A 138 -4.578 -11.935 3.238 1.00 0.00 N ATOM 2153 CA THR A 138 -5.350 -13.167 2.948 1.00 0.00 C ATOM 2154 C THR A 138 -6.720 -13.219 3.620 1.00 0.00 C ATOM 2155 O THR A 138 -7.651 -13.850 3.121 1.00 0.00 O ATOM 2156 CB THR A 138 -4.574 -14.403 3.402 1.00 0.00 C ATOM 2157 OG1 THR A 138 -3.968 -14.134 4.670 1.00 0.00 O ATOM 2158 CG2 THR A 138 -3.584 -14.835 2.321 1.00 0.00 C ATOM 0 H THR A 138 -3.602 -12.115 3.473 1.00 0.00 H new ATOM 0 HA THR A 138 -5.502 -13.153 1.869 1.00 0.00 H new ATOM 0 HB THR A 138 -5.244 -15.251 3.543 1.00 0.00 H new ATOM 0 HG1 THR A 138 -3.470 -14.923 4.968 1.00 0.00 H new ATOM 0 HG21 THR A 138 -3.039 -15.716 2.658 1.00 0.00 H new ATOM 0 HG22 THR A 138 -4.126 -15.072 1.405 1.00 0.00 H new ATOM 0 HG23 THR A 138 -2.881 -14.025 2.127 1.00 0.00 H new ATOM 2166 N LYS A 139 -6.850 -12.520 4.735 1.00 0.00 N ATOM 2167 CA LYS A 139 -8.146 -12.309 5.396 1.00 0.00 C ATOM 2168 C LYS A 139 -8.650 -10.869 5.115 1.00 0.00 C ATOM 2169 O LYS A 139 -8.343 -9.933 5.860 1.00 0.00 O ATOM 2170 CB LYS A 139 -7.954 -12.540 6.895 1.00 0.00 C ATOM 2171 CG LYS A 139 -9.297 -12.853 7.544 1.00 0.00 C ATOM 2172 CD LYS A 139 -9.286 -14.298 7.995 1.00 0.00 C ATOM 2173 CE LYS A 139 -10.683 -14.890 7.887 1.00 0.00 C ATOM 2174 NZ LYS A 139 -10.691 -16.198 8.544 1.00 0.00 N ATOM 0 H LYS A 139 -6.065 -12.079 5.215 1.00 0.00 H new ATOM 0 HA LYS A 139 -8.894 -13.003 5.013 1.00 0.00 H new ATOM 0 HB2 LYS A 139 -7.259 -13.364 7.060 1.00 0.00 H new ATOM 0 HB3 LYS A 139 -7.514 -11.655 7.355 1.00 0.00 H new ATOM 0 HG2 LYS A 139 -9.471 -12.192 8.393 1.00 0.00 H new ATOM 0 HG3 LYS A 139 -10.109 -12.683 6.837 1.00 0.00 H new ATOM 0 HD2 LYS A 139 -8.591 -14.873 7.383 1.00 0.00 H new ATOM 0 HD3 LYS A 139 -8.934 -14.363 9.024 1.00 0.00 H new ATOM 0 HE2 LYS A 139 -11.411 -14.228 8.355 1.00 0.00 H new ATOM 0 HE3 LYS A 139 -10.971 -14.991 6.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 -11.642 -16.614 8.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 -10.005 -16.825 8.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 -10.432 -16.085 9.545 1.00 0.00 H new ATOM 2188 N GLU A 140 -9.307 -10.743 3.962 1.00 0.00 N ATOM 2189 CA GLU A 140 -9.867 -9.466 3.450 1.00 0.00 C ATOM 2190 C GLU A 140 -8.786 -8.401 3.212 1.00 0.00 C ATOM 2191 O GLU A 140 -8.171 -8.384 2.156 1.00 0.00 O ATOM 2192 CB GLU A 140 -10.997 -8.903 4.326 1.00 0.00 C ATOM 2193 CG GLU A 140 -12.359 -9.521 4.060 1.00 0.00 C ATOM 2194 CD GLU A 140 -13.478 -8.723 4.719 1.00 0.00 C ATOM 2195 OE1 GLU A 140 -13.417 -8.557 5.951 1.00 0.00 O ATOM 2196 OE2 GLU A 140 -14.451 -8.454 3.985 1.00 0.00 O ATOM 0 H GLU A 140 -9.475 -11.532 3.338 1.00 0.00 H new ATOM 0 HA GLU A 140 -10.306 -9.720 2.485 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -10.740 -9.056 5.374 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -11.062 -7.826 4.168 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -12.532 -9.571 2.985 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -12.373 -10.545 4.434 1.00 0.00 H new ATOM 2203 N ASN A 141 -8.598 -7.523 4.200 1.00 0.00 N ATOM 2204 CA ASN A 141 -7.630 -6.408 4.197 1.00 0.00 C ATOM 2205 C ASN A 141 -7.068 -6.144 5.608 1.00 0.00 C ATOM 2206 O ASN A 141 -6.810 -5.007 6.007 1.00 0.00 O ATOM 2207 CB ASN A 141 -8.320 -5.168 3.615 1.00 0.00 C ATOM 2208 CG ASN A 141 -9.293 -4.506 4.580 1.00 0.00 C ATOM 2209 OD1 ASN A 141 -9.948 -5.121 5.404 1.00 0.00 O ATOM 2210 ND2 ASN A 141 -9.296 -3.189 4.539 1.00 0.00 N ATOM 0 H ASN A 141 -9.137 -7.566 5.065 1.00 0.00 H new ATOM 0 HA ASN A 141 -6.773 -6.668 3.575 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -7.560 -4.443 3.323 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -8.855 -5.452 2.709 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -9.856 -2.659 5.207 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -8.739 -2.699 3.839 1.00 0.00 H new ATOM 2217 N GLN A 142 -6.926 -7.226 6.367 1.00 0.00 N ATOM 2218 CA GLN A 142 -6.435 -7.160 7.751 1.00 0.00 C ATOM 2219 C GLN A 142 -5.513 -8.309 8.160 1.00 0.00 C ATOM 2220 O GLN A 142 -4.493 -8.077 8.803 1.00 0.00 O ATOM 2221 CB GLN A 142 -7.630 -7.043 8.684 1.00 0.00 C ATOM 2222 CG GLN A 142 -7.220 -6.283 9.951 1.00 0.00 C ATOM 2223 CD GLN A 142 -8.459 -5.663 10.594 1.00 0.00 C ATOM 2224 OE1 GLN A 142 -8.686 -4.467 10.577 1.00 0.00 O ATOM 2225 NE2 GLN A 142 -9.297 -6.504 11.159 1.00 0.00 N ATOM 0 H GLN A 142 -7.145 -8.170 6.049 1.00 0.00 H new ATOM 0 HA GLN A 142 -5.801 -6.277 7.825 1.00 0.00 H new ATOM 0 HB2 GLN A 142 -8.446 -6.522 8.183 1.00 0.00 H new ATOM 0 HB3 GLN A 142 -7.998 -8.035 8.946 1.00 0.00 H new ATOM 0 HG2 GLN A 142 -6.733 -6.960 10.653 1.00 0.00 H new ATOM 0 HG3 GLN A 142 -6.497 -5.505 9.704 1.00 0.00 H new ATOM 0 HE21 GLN A 142 -9.091 -7.503 11.164 1.00 0.00 H new ATOM 0 HE22 GLN A 142 -10.153 -6.157 11.592 1.00 0.00 H new ATOM 2234 N GLY A 143 -5.864 -9.532 7.747 1.00 0.00 N ATOM 2235 CA GLY A 143 -5.059 -10.745 7.989 1.00 0.00 C ATOM 2236 C GLY A 143 -3.588 -10.573 7.582 1.00 0.00 C ATOM 2237 O GLY A 143 -3.202 -9.575 6.981 1.00 0.00 O ATOM 0 H GLY A 143 -6.724 -9.714 7.229 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -5.111 -11.005 9.046 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -5.490 -11.578 7.434 1.00 0.00 H new ATOM 2241 N GLU A 144 -2.748 -11.542 7.915 1.00 0.00 N ATOM 2242 CA GLU A 144 -1.319 -11.455 7.544 1.00 0.00 C ATOM 2243 C GLU A 144 -1.116 -11.232 6.041 1.00 0.00 C ATOM 2244 O GLU A 144 -1.756 -11.893 5.219 1.00 0.00 O ATOM 2245 CB GLU A 144 -0.536 -12.689 8.005 1.00 0.00 C ATOM 2246 CG GLU A 144 0.071 -12.497 9.402 1.00 0.00 C ATOM 2247 CD GLU A 144 -0.969 -12.352 10.518 1.00 0.00 C ATOM 2248 OE1 GLU A 144 -1.813 -13.281 10.639 1.00 0.00 O ATOM 2249 OE2 GLU A 144 -0.923 -11.324 11.207 1.00 0.00 O ATOM 0 H GLU A 144 -3.009 -12.383 8.429 1.00 0.00 H new ATOM 0 HA GLU A 144 -0.927 -10.582 8.065 1.00 0.00 H new ATOM 0 HB2 GLU A 144 -1.197 -13.556 8.013 1.00 0.00 H new ATOM 0 HB3 GLU A 144 0.259 -12.901 7.290 1.00 0.00 H new ATOM 0 HG2 GLU A 144 0.715 -13.347 9.627 1.00 0.00 H new ATOM 0 HG3 GLU A 144 0.705 -11.611 9.393 1.00 0.00 H new ATOM 2256 N LEU A 145 -0.389 -10.153 5.745 1.00 0.00 N ATOM 2257 CA LEU A 145 -0.033 -9.781 4.366 1.00 0.00 C ATOM 2258 C LEU A 145 0.790 -10.913 3.746 1.00 0.00 C ATOM 2259 O LEU A 145 1.894 -11.215 4.201 1.00 0.00 O ATOM 2260 CB LEU A 145 0.788 -8.496 4.343 1.00 0.00 C ATOM 2261 CG LEU A 145 -0.057 -7.272 4.716 1.00 0.00 C ATOM 2262 CD1 LEU A 145 0.664 -6.451 5.787 1.00 0.00 C ATOM 2263 CD2 LEU A 145 -0.384 -6.428 3.489 1.00 0.00 C ATOM 0 H LEU A 145 -0.029 -9.510 6.450 1.00 0.00 H new ATOM 0 HA LEU A 145 -0.949 -9.617 3.799 1.00 0.00 H new ATOM 0 HB2 LEU A 145 1.623 -8.586 5.038 1.00 0.00 H new ATOM 0 HB3 LEU A 145 1.213 -8.355 3.350 1.00 0.00 H new ATOM 0 HG LEU A 145 -1.007 -7.615 5.125 1.00 0.00 H new ATOM 0 HD11 LEU A 145 0.059 -5.583 6.048 1.00 0.00 H new ATOM 0 HD12 LEU A 145 0.819 -7.066 6.674 1.00 0.00 H new ATOM 0 HD13 LEU A 145 1.629 -6.119 5.403 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -0.984 -5.568 3.788 1.00 0.00 H new ATOM 0 HD22 LEU A 145 0.541 -6.082 3.028 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -0.944 -7.029 2.772 1.00 0.00 H new ATOM 2275 N LYS A 146 0.115 -11.708 2.949 1.00 0.00 N ATOM 2276 CA LYS A 146 0.776 -12.816 2.265 1.00 0.00 C ATOM 2277 C LYS A 146 1.206 -12.318 0.884 1.00 0.00 C ATOM 2278 O LYS A 146 0.422 -11.726 0.151 1.00 0.00 O ATOM 2279 CB LYS A 146 -0.166 -14.015 2.154 1.00 0.00 C ATOM 2280 CG LYS A 146 0.551 -15.276 1.671 1.00 0.00 C ATOM 2281 CD LYS A 146 -0.463 -16.382 1.395 1.00 0.00 C ATOM 2282 CE LYS A 146 -0.041 -17.208 0.183 1.00 0.00 C ATOM 2283 NZ LYS A 146 -1.216 -17.935 -0.331 1.00 0.00 N ATOM 0 H LYS A 146 -0.882 -11.617 2.754 1.00 0.00 H new ATOM 0 HA LYS A 146 1.649 -13.148 2.827 1.00 0.00 H new ATOM 0 HB2 LYS A 146 -0.620 -14.208 3.126 1.00 0.00 H new ATOM 0 HB3 LYS A 146 -0.976 -13.775 1.466 1.00 0.00 H new ATOM 0 HG2 LYS A 146 1.118 -15.057 0.766 1.00 0.00 H new ATOM 0 HG3 LYS A 146 1.267 -15.608 2.423 1.00 0.00 H new ATOM 0 HD2 LYS A 146 -0.552 -17.028 2.269 1.00 0.00 H new ATOM 0 HD3 LYS A 146 -1.446 -15.946 1.220 1.00 0.00 H new ATOM 0 HE2 LYS A 146 0.369 -16.559 -0.591 1.00 0.00 H new ATOM 0 HE3 LYS A 146 0.745 -17.910 0.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 -0.939 -18.502 -1.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 -1.587 -18.563 0.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 -1.951 -17.254 -0.608 1.00 0.00 H new ATOM 2297 N LEU A 147 2.531 -12.322 0.734 1.00 0.00 N ATOM 2298 CA LEU A 147 3.217 -11.989 -0.523 1.00 0.00 C ATOM 2299 C LEU A 147 2.513 -12.716 -1.676 1.00 0.00 C ATOM 2300 O LEU A 147 2.495 -13.951 -1.709 1.00 0.00 O ATOM 2301 CB LEU A 147 4.698 -12.387 -0.440 1.00 0.00 C ATOM 2302 CG LEU A 147 5.400 -12.296 -1.806 1.00 0.00 C ATOM 2303 CD1 LEU A 147 5.757 -10.870 -2.196 1.00 0.00 C ATOM 2304 CD2 LEU A 147 6.637 -13.193 -1.783 1.00 0.00 C ATOM 0 H LEU A 147 3.171 -12.560 1.492 1.00 0.00 H new ATOM 0 HA LEU A 147 3.174 -10.914 -0.699 1.00 0.00 H new ATOM 0 HB2 LEU A 147 5.208 -11.739 0.273 1.00 0.00 H new ATOM 0 HB3 LEU A 147 4.778 -13.405 -0.059 1.00 0.00 H new ATOM 0 HG LEU A 147 4.704 -12.641 -2.571 1.00 0.00 H new ATOM 0 HD11 LEU A 147 6.249 -10.871 -3.168 1.00 0.00 H new ATOM 0 HD12 LEU A 147 4.849 -10.269 -2.250 1.00 0.00 H new ATOM 0 HD13 LEU A 147 6.429 -10.446 -1.450 1.00 0.00 H new ATOM 0 HD21 LEU A 147 7.144 -13.138 -2.746 1.00 0.00 H new ATOM 0 HD22 LEU A 147 7.314 -12.859 -0.997 1.00 0.00 H new ATOM 0 HD23 LEU A 147 6.336 -14.223 -1.590 1.00 0.00 H new ATOM 2316 N CYS A 148 1.776 -11.923 -2.440 1.00 0.00 N ATOM 2317 CA CYS A 148 1.081 -12.398 -3.640 1.00 0.00 C ATOM 2318 C CYS A 148 2.099 -13.066 -4.576 1.00 0.00 C ATOM 2319 O CYS A 148 3.320 -13.038 -4.364 1.00 0.00 O ATOM 2320 CB CYS A 148 0.388 -11.240 -4.378 1.00 0.00 C ATOM 2321 SG CYS A 148 -0.740 -10.251 -3.331 1.00 0.00 S ATOM 0 H CYS A 148 1.639 -10.930 -2.250 1.00 0.00 H new ATOM 0 HA CYS A 148 0.316 -13.113 -3.338 1.00 0.00 H new ATOM 0 HB2 CYS A 148 1.150 -10.581 -4.794 1.00 0.00 H new ATOM 0 HB3 CYS A 148 -0.176 -11.645 -5.218 1.00 0.00 H new ATOM 2326 N SER A 149 1.568 -13.720 -5.584 1.00 0.00 N ATOM 2327 CA SER A 149 2.412 -14.473 -6.518 1.00 0.00 C ATOM 2328 C SER A 149 1.944 -14.271 -7.949 1.00 0.00 C ATOM 2329 O SER A 149 0.790 -13.946 -8.220 1.00 0.00 O ATOM 2330 CB SER A 149 2.414 -15.965 -6.172 1.00 0.00 C ATOM 2331 OG SER A 149 1.082 -16.489 -6.280 1.00 0.00 O ATOM 0 H SER A 149 0.569 -13.754 -5.787 1.00 0.00 H new ATOM 0 HA SER A 149 3.430 -14.095 -6.426 1.00 0.00 H new ATOM 0 HB2 SER A 149 3.082 -16.503 -6.844 1.00 0.00 H new ATOM 0 HB3 SER A 149 2.792 -16.113 -5.161 1.00 0.00 H new ATOM 0 HG SER A 149 1.087 -17.444 -6.060 1.00 0.00 H new ATOM 2337 N HIS A 150 2.904 -14.404 -8.839 1.00 0.00 N ATOM 2338 CA HIS A 150 2.654 -14.246 -10.277 1.00 0.00 C ATOM 2339 C HIS A 150 3.014 -15.484 -11.121 1.00 0.00 C ATOM 2340 O HIS A 150 2.835 -15.418 -12.354 1.00 0.00 O ATOM 2341 CB HIS A 150 3.379 -13.005 -10.754 1.00 0.00 C ATOM 2342 CG HIS A 150 4.876 -13.039 -10.463 1.00 0.00 C ATOM 2343 ND1 HIS A 150 5.822 -13.452 -11.299 1.00 0.00 N ATOM 2344 CD2 HIS A 150 5.467 -12.482 -9.413 1.00 0.00 C ATOM 2345 CE1 HIS A 150 7.006 -13.145 -10.768 1.00 0.00 C ATOM 2346 NE2 HIS A 150 6.773 -12.540 -9.604 1.00 0.00 N ATOM 2347 OXT HIS A 150 3.523 -16.459 -10.519 1.00 0.00 O ATOM 0 H HIS A 150 3.872 -14.622 -8.602 1.00 0.00 H new ATOM 0 HA HIS A 150 1.579 -14.135 -10.419 1.00 0.00 H new ATOM 0 HB2 HIS A 150 3.226 -12.892 -11.827 1.00 0.00 H new ATOM 0 HB3 HIS A 150 2.941 -12.129 -10.275 1.00 0.00 H new ATOM 0 HD2 HIS A 150 4.968 -12.057 -8.555 1.00 0.00 H new ATOM 0 HE1 HIS A 150 7.974 -13.349 -11.201 1.00 0.00 H new ATOM 0 HE2 HIS A 150 7.484 -12.181 -8.967 1.00 0.00 H new TER 2356 HIS A 150