USER MOD reduce.3.24.130724 H: found=0, std=0, add=997, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 994 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 119 SER OG : rot 120:sc= 0.00974 USER MOD Set 1.2: A 121 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 73 HIS : no HE2:sc= 1 K(o=2.3,f=-5.6!) USER MOD Set 2.2: A 85 SER OG : rot -154:sc= 1.3 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 140:sc= -3.92! USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.239 K(o=-0.24,f=-4.8!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 160:sc= -0.889 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.224 X(o=-0.22,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc=-0.000215 K(o=-0.00022,f=-1.6!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot 66:sc= -0.184 USER MOD Single : A 53 THR OG1 : rot 66:sc= -3.17! USER MOD Single : A 55 LYS NZ :NH3+ 153:sc= 0.476 (180deg=-0.24!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HE2:sc= -16! C(o=-16!,f=-16!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN :FLIP amide:sc=-0.00367 F(o=-0.71,f=-0.0037) USER MOD Single : A 80 HIS : no HE2:sc= -2.31! C(o=-2.3!,f=-3.2!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 165:sc= -1.47 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 114:sc= 0.00135 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.0106 X(o=-0.011,f=-0.011) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 TYR OH : rot -15:sc= -2.41 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 HIS : no HD1:sc= -0.0809 X(o=-0.081,f=-0.081) USER MOD Single : A 113 THR OG1 : rot 106:sc= 0.351 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= -0.266 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 HIS : no HD1:sc= -0.0372 X(o=-0.037,f=-0.034) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 143 HIS : no HD1:sc=-0.00633 X(o=-0.0063,f=-0.14) USER MOD Single : A 146 LYS NZ :NH3+ 156:sc= -0.236 (180deg=-1.22) USER MOD Single : A 151 TYR OH : rot 30:sc= -0.486 USER MOD ----------------------------------------------------------------- ATOM 8 N VAL A 3 -7.699 -1.500 17.342 1.00 0.00 N ATOM 9 CA VAL A 3 -6.404 -1.941 16.752 1.00 0.00 C ATOM 10 C VAL A 3 -5.580 -0.714 16.357 1.00 0.00 C ATOM 11 O VAL A 3 -6.107 0.277 15.892 1.00 0.00 O ATOM 12 CB VAL A 3 -6.673 -2.796 15.512 1.00 0.00 C ATOM 13 CG1 VAL A 3 -7.520 -2.000 14.517 1.00 0.00 C ATOM 14 CG2 VAL A 3 -5.343 -3.177 14.857 1.00 0.00 C ATOM 0 HA VAL A 3 -5.852 -2.529 17.485 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.208 -3.700 15.804 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -7.712 -2.609 13.634 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -8.467 -1.727 14.982 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.985 -1.096 14.225 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.534 -3.786 13.974 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.809 -2.273 14.566 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.738 -3.744 15.565 1.00 0.00 H new ATOM 24 N TYR A 4 -4.289 -0.772 16.538 1.00 0.00 N ATOM 25 CA TYR A 4 -3.432 0.391 16.172 1.00 0.00 C ATOM 26 C TYR A 4 -2.589 0.037 14.946 1.00 0.00 C ATOM 27 O TYR A 4 -2.037 -1.042 14.849 1.00 0.00 O ATOM 28 CB TYR A 4 -2.509 0.733 17.343 1.00 0.00 C ATOM 29 CG TYR A 4 -3.341 1.109 18.547 1.00 0.00 C ATOM 30 CD1 TYR A 4 -3.840 2.410 18.673 1.00 0.00 C ATOM 31 CD2 TYR A 4 -3.612 0.155 19.535 1.00 0.00 C ATOM 32 CE1 TYR A 4 -4.612 2.758 19.789 1.00 0.00 C ATOM 33 CE2 TYR A 4 -4.383 0.503 20.651 1.00 0.00 C ATOM 34 CZ TYR A 4 -4.882 1.805 20.778 1.00 0.00 C ATOM 35 OH TYR A 4 -5.644 2.147 21.876 1.00 0.00 O ATOM 0 H TYR A 4 -3.791 -1.574 16.923 1.00 0.00 H new ATOM 0 HA TYR A 4 -4.063 1.250 15.944 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -1.873 -0.120 17.579 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -1.850 1.557 17.071 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -3.630 3.145 17.910 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -3.227 -0.849 19.437 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -4.999 3.762 19.886 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -4.593 -0.233 21.413 1.00 0.00 H new ATOM 0 HH TYR A 4 -5.737 1.369 22.465 1.00 0.00 H new ATOM 45 N THR A 5 -2.482 0.936 14.007 1.00 0.00 N ATOM 46 CA THR A 5 -1.672 0.649 12.789 1.00 0.00 C ATOM 47 C THR A 5 -0.249 1.173 12.991 1.00 0.00 C ATOM 48 O THR A 5 -0.043 2.258 13.496 1.00 0.00 O ATOM 49 CB THR A 5 -2.305 1.342 11.580 1.00 0.00 C ATOM 50 OG1 THR A 5 -3.678 0.987 11.498 1.00 0.00 O ATOM 51 CG2 THR A 5 -1.584 0.904 10.304 1.00 0.00 C ATOM 0 H THR A 5 -2.920 1.857 14.030 1.00 0.00 H new ATOM 0 HA THR A 5 -1.643 -0.427 12.616 1.00 0.00 H new ATOM 0 HB THR A 5 -2.216 2.423 11.691 1.00 0.00 H new ATOM 0 HG1 THR A 5 -4.205 1.773 11.243 1.00 0.00 H new ATOM 0 HG21 THR A 5 -2.035 1.398 9.443 1.00 0.00 H new ATOM 0 HG22 THR A 5 -0.531 1.178 10.369 1.00 0.00 H new ATOM 0 HG23 THR A 5 -1.671 -0.176 10.189 1.00 0.00 H new ATOM 59 N TYR A 6 0.734 0.410 12.600 1.00 0.00 N ATOM 60 CA TYR A 6 2.142 0.866 12.772 1.00 0.00 C ATOM 61 C TYR A 6 2.825 0.952 11.405 1.00 0.00 C ATOM 62 O TYR A 6 2.736 0.048 10.598 1.00 0.00 O ATOM 63 CB TYR A 6 2.894 -0.131 13.656 1.00 0.00 C ATOM 64 CG TYR A 6 4.281 0.396 13.938 1.00 0.00 C ATOM 65 CD1 TYR A 6 4.487 1.296 14.991 1.00 0.00 C ATOM 66 CD2 TYR A 6 5.361 -0.017 13.149 1.00 0.00 C ATOM 67 CE1 TYR A 6 5.773 1.783 15.254 1.00 0.00 C ATOM 68 CE2 TYR A 6 6.647 0.471 13.411 1.00 0.00 C ATOM 69 CZ TYR A 6 6.852 1.371 14.464 1.00 0.00 C ATOM 70 OH TYR A 6 8.121 1.850 14.723 1.00 0.00 O ATOM 0 H TYR A 6 0.624 -0.508 12.169 1.00 0.00 H new ATOM 0 HA TYR A 6 2.150 1.849 13.242 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.354 -0.285 14.590 1.00 0.00 H new ATOM 0 HB3 TYR A 6 2.955 -1.100 13.160 1.00 0.00 H new ATOM 0 HD1 TYR A 6 3.654 1.614 15.600 1.00 0.00 H new ATOM 0 HD2 TYR A 6 5.202 -0.712 12.338 1.00 0.00 H new ATOM 0 HE1 TYR A 6 5.932 2.477 16.066 1.00 0.00 H new ATOM 0 HE2 TYR A 6 7.480 0.154 12.801 1.00 0.00 H new ATOM 0 HH TYR A 6 8.754 1.463 14.082 1.00 0.00 H new ATOM 80 N GLU A 7 3.505 2.034 11.140 1.00 0.00 N ATOM 81 CA GLU A 7 4.196 2.181 9.829 1.00 0.00 C ATOM 82 C GLU A 7 5.709 2.203 10.053 1.00 0.00 C ATOM 83 O GLU A 7 6.203 2.859 10.948 1.00 0.00 O ATOM 84 CB GLU A 7 3.760 3.489 9.165 1.00 0.00 C ATOM 85 CG GLU A 7 4.416 3.607 7.788 1.00 0.00 C ATOM 86 CD GLU A 7 4.079 4.969 7.178 1.00 0.00 C ATOM 87 OE1 GLU A 7 3.414 5.747 7.843 1.00 0.00 O ATOM 88 OE2 GLU A 7 4.492 5.213 6.056 1.00 0.00 O ATOM 0 H GLU A 7 3.612 2.824 11.777 1.00 0.00 H new ATOM 0 HA GLU A 7 3.935 1.342 9.184 1.00 0.00 H new ATOM 0 HB2 GLU A 7 2.675 3.514 9.066 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.043 4.337 9.788 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.496 3.494 7.877 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.064 2.807 7.136 1.00 0.00 H new ATOM 95 N ASN A 8 6.449 1.488 9.251 1.00 0.00 N ATOM 96 CA ASN A 8 7.929 1.468 9.425 1.00 0.00 C ATOM 97 C ASN A 8 8.604 1.994 8.156 1.00 0.00 C ATOM 98 O ASN A 8 8.178 1.714 7.053 1.00 0.00 O ATOM 99 CB ASN A 8 8.393 0.034 9.691 1.00 0.00 C ATOM 100 CG ASN A 8 9.831 0.052 10.212 1.00 0.00 C ATOM 101 OD1 ASN A 8 10.395 1.104 10.436 1.00 0.00 O ATOM 102 ND2 ASN A 8 10.451 -1.077 10.415 1.00 0.00 N ATOM 0 H ASN A 8 6.094 0.918 8.484 1.00 0.00 H new ATOM 0 HA ASN A 8 8.201 2.102 10.269 1.00 0.00 H new ATOM 0 HB2 ASN A 8 7.737 -0.443 10.419 1.00 0.00 H new ATOM 0 HB3 ASN A 8 8.334 -0.555 8.775 1.00 0.00 H new ATOM 0 HD21 ASN A 8 11.410 -1.077 10.762 1.00 0.00 H new ATOM 0 HD22 ASN A 8 9.977 -1.960 10.227 1.00 0.00 H new ATOM 109 N GLU A 9 9.655 2.752 8.305 1.00 0.00 N ATOM 110 CA GLU A 9 10.360 3.295 7.109 1.00 0.00 C ATOM 111 C GLU A 9 11.769 2.704 7.039 1.00 0.00 C ATOM 112 O GLU A 9 12.452 2.584 8.038 1.00 0.00 O ATOM 113 CB GLU A 9 10.452 4.818 7.217 1.00 0.00 C ATOM 114 CG GLU A 9 9.046 5.408 7.348 1.00 0.00 C ATOM 115 CD GLU A 9 9.139 6.932 7.444 1.00 0.00 C ATOM 116 OE1 GLU A 9 10.241 7.430 7.603 1.00 0.00 O ATOM 117 OE2 GLU A 9 8.106 7.575 7.357 1.00 0.00 O ATOM 0 H GLU A 9 10.057 3.019 9.204 1.00 0.00 H new ATOM 0 HA GLU A 9 9.807 3.028 6.209 1.00 0.00 H new ATOM 0 HB2 GLU A 9 11.056 5.096 8.081 1.00 0.00 H new ATOM 0 HB3 GLU A 9 10.948 5.226 6.336 1.00 0.00 H new ATOM 0 HG2 GLU A 9 8.439 5.124 6.488 1.00 0.00 H new ATOM 0 HG3 GLU A 9 8.553 5.007 8.233 1.00 0.00 H new ATOM 124 N PHE A 10 12.212 2.333 5.870 1.00 0.00 N ATOM 125 CA PHE A 10 13.578 1.750 5.743 1.00 0.00 C ATOM 126 C PHE A 10 14.100 1.975 4.322 1.00 0.00 C ATOM 127 O PHE A 10 13.351 1.973 3.367 1.00 0.00 O ATOM 128 CB PHE A 10 13.523 0.249 6.034 1.00 0.00 C ATOM 129 CG PHE A 10 14.899 -0.348 5.866 1.00 0.00 C ATOM 130 CD1 PHE A 10 15.804 -0.332 6.934 1.00 0.00 C ATOM 131 CD2 PHE A 10 15.271 -0.917 4.642 1.00 0.00 C ATOM 132 CE1 PHE A 10 17.082 -0.886 6.778 1.00 0.00 C ATOM 133 CE2 PHE A 10 16.547 -1.471 4.487 1.00 0.00 C ATOM 134 CZ PHE A 10 17.452 -1.455 5.554 1.00 0.00 C ATOM 0 H PHE A 10 11.688 2.408 4.998 1.00 0.00 H new ATOM 0 HA PHE A 10 14.245 2.234 6.456 1.00 0.00 H new ATOM 0 HB2 PHE A 10 13.162 0.078 7.048 1.00 0.00 H new ATOM 0 HB3 PHE A 10 12.819 -0.237 5.359 1.00 0.00 H new ATOM 0 HD1 PHE A 10 15.517 0.107 7.878 1.00 0.00 H new ATOM 0 HD2 PHE A 10 14.573 -0.928 3.818 1.00 0.00 H new ATOM 0 HE1 PHE A 10 17.781 -0.874 7.602 1.00 0.00 H new ATOM 0 HE2 PHE A 10 16.833 -1.911 3.543 1.00 0.00 H new ATOM 0 HZ PHE A 10 18.437 -1.882 5.433 1.00 0.00 H new ATOM 144 N THR A 11 15.383 2.169 4.178 1.00 0.00 N ATOM 145 CA THR A 11 15.955 2.393 2.820 1.00 0.00 C ATOM 146 C THR A 11 16.851 1.212 2.445 1.00 0.00 C ATOM 147 O THR A 11 17.487 0.611 3.289 1.00 0.00 O ATOM 148 CB THR A 11 16.781 3.682 2.821 1.00 0.00 C ATOM 149 OG1 THR A 11 17.997 3.462 3.521 1.00 0.00 O ATOM 150 CG2 THR A 11 15.989 4.797 3.506 1.00 0.00 C ATOM 0 H THR A 11 16.059 2.182 4.942 1.00 0.00 H new ATOM 0 HA THR A 11 15.147 2.481 2.094 1.00 0.00 H new ATOM 0 HB THR A 11 17.001 3.975 1.794 1.00 0.00 H new ATOM 0 HG1 THR A 11 18.528 4.286 3.521 1.00 0.00 H new ATOM 0 HG21 THR A 11 16.578 5.714 3.506 1.00 0.00 H new ATOM 0 HG22 THR A 11 15.056 4.965 2.967 1.00 0.00 H new ATOM 0 HG23 THR A 11 15.768 4.508 4.533 1.00 0.00 H new ATOM 158 N SER A 12 16.907 0.873 1.187 1.00 0.00 N ATOM 159 CA SER A 12 17.761 -0.270 0.760 1.00 0.00 C ATOM 160 C SER A 12 18.266 -0.031 -0.664 1.00 0.00 C ATOM 161 O SER A 12 17.846 0.890 -1.335 1.00 0.00 O ATOM 162 CB SER A 12 16.940 -1.561 0.798 1.00 0.00 C ATOM 163 OG SER A 12 15.997 -1.552 -0.262 1.00 0.00 O ATOM 0 H SER A 12 16.398 1.339 0.436 1.00 0.00 H new ATOM 0 HA SER A 12 18.612 -0.357 1.436 1.00 0.00 H new ATOM 0 HB2 SER A 12 17.597 -2.426 0.707 1.00 0.00 H new ATOM 0 HB3 SER A 12 16.427 -1.650 1.755 1.00 0.00 H new ATOM 0 HG SER A 12 15.702 -2.468 -0.445 1.00 0.00 H new ATOM 169 N ASP A 13 19.163 -0.857 -1.131 1.00 0.00 N ATOM 170 CA ASP A 13 19.692 -0.680 -2.512 1.00 0.00 C ATOM 171 C ASP A 13 18.668 -1.208 -3.518 1.00 0.00 C ATOM 172 O ASP A 13 17.577 -1.603 -3.159 1.00 0.00 O ATOM 173 CB ASP A 13 21.001 -1.459 -2.661 1.00 0.00 C ATOM 174 CG ASP A 13 21.898 -0.756 -3.682 1.00 0.00 C ATOM 175 OD1 ASP A 13 21.471 0.251 -4.221 1.00 0.00 O ATOM 176 OD2 ASP A 13 22.996 -1.238 -3.907 1.00 0.00 O ATOM 0 H ASP A 13 19.552 -1.646 -0.615 1.00 0.00 H new ATOM 0 HA ASP A 13 19.876 0.378 -2.699 1.00 0.00 H new ATOM 0 HB2 ASP A 13 21.509 -1.525 -1.699 1.00 0.00 H new ATOM 0 HB3 ASP A 13 20.795 -2.480 -2.983 1.00 0.00 H new ATOM 181 N ILE A 14 19.009 -1.214 -4.778 1.00 0.00 N ATOM 182 CA ILE A 14 18.051 -1.715 -5.803 1.00 0.00 C ATOM 183 C ILE A 14 16.876 -0.743 -5.916 1.00 0.00 C ATOM 184 O ILE A 14 16.408 -0.206 -4.931 1.00 0.00 O ATOM 185 CB ILE A 14 17.539 -3.096 -5.391 1.00 0.00 C ATOM 186 CG1 ILE A 14 18.691 -3.915 -4.805 1.00 0.00 C ATOM 187 CG2 ILE A 14 16.976 -3.818 -6.617 1.00 0.00 C ATOM 188 CD1 ILE A 14 18.396 -4.236 -3.339 1.00 0.00 C ATOM 0 H ILE A 14 19.907 -0.894 -5.141 1.00 0.00 H new ATOM 0 HA ILE A 14 18.553 -1.790 -6.767 1.00 0.00 H new ATOM 0 HB ILE A 14 16.755 -2.983 -4.642 1.00 0.00 H new ATOM 0 HG12 ILE A 14 18.820 -4.837 -5.371 1.00 0.00 H new ATOM 0 HG13 ILE A 14 19.625 -3.358 -4.885 1.00 0.00 H new ATOM 0 HG21 ILE A 14 16.611 -4.802 -6.324 1.00 0.00 H new ATOM 0 HG22 ILE A 14 16.155 -3.237 -7.036 1.00 0.00 H new ATOM 0 HG23 ILE A 14 17.761 -3.930 -7.365 1.00 0.00 H new ATOM 0 HD11 ILE A 14 19.217 -4.819 -2.922 1.00 0.00 H new ATOM 0 HD12 ILE A 14 18.289 -3.308 -2.778 1.00 0.00 H new ATOM 0 HD13 ILE A 14 17.472 -4.810 -3.271 1.00 0.00 H new ATOM 200 N PRO A 15 16.395 -0.513 -7.146 1.00 0.00 N ATOM 201 CA PRO A 15 15.274 0.399 -7.399 1.00 0.00 C ATOM 202 C PRO A 15 13.947 -0.157 -6.870 1.00 0.00 C ATOM 203 O PRO A 15 13.719 -1.350 -6.853 1.00 0.00 O ATOM 204 CB PRO A 15 15.239 0.508 -8.924 1.00 0.00 C ATOM 205 CG PRO A 15 15.873 -0.751 -9.407 1.00 0.00 C ATOM 206 CD PRO A 15 16.907 -1.125 -8.382 1.00 0.00 C ATOM 0 HA PRO A 15 15.405 1.357 -6.896 1.00 0.00 H new ATOM 0 HB2 PRO A 15 14.217 0.603 -9.291 1.00 0.00 H new ATOM 0 HB3 PRO A 15 15.785 1.385 -9.271 1.00 0.00 H new ATOM 0 HG2 PRO A 15 15.131 -1.542 -9.517 1.00 0.00 H new ATOM 0 HG3 PRO A 15 16.331 -0.605 -10.385 1.00 0.00 H new ATOM 0 HD2 PRO A 15 17.005 -2.206 -8.285 1.00 0.00 H new ATOM 0 HD3 PRO A 15 17.892 -0.738 -8.644 1.00 0.00 H new ATOM 214 N ALA A 16 13.077 0.710 -6.430 1.00 0.00 N ATOM 215 CA ALA A 16 11.760 0.268 -5.886 1.00 0.00 C ATOM 216 C ALA A 16 11.160 -0.870 -6.727 1.00 0.00 C ATOM 217 O ALA A 16 10.738 -1.876 -6.192 1.00 0.00 O ATOM 218 CB ALA A 16 10.795 1.454 -5.887 1.00 0.00 C ATOM 0 H ALA A 16 13.224 1.719 -6.424 1.00 0.00 H new ATOM 0 HA ALA A 16 11.914 -0.100 -4.872 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.830 1.138 -5.491 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.199 2.252 -5.265 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.667 1.818 -6.906 1.00 0.00 H new ATOM 224 N PRO A 17 11.090 -0.707 -8.061 1.00 0.00 N ATOM 225 CA PRO A 17 10.506 -1.727 -8.949 1.00 0.00 C ATOM 226 C PRO A 17 11.292 -3.043 -8.948 1.00 0.00 C ATOM 227 O PRO A 17 10.718 -4.112 -8.863 1.00 0.00 O ATOM 228 CB PRO A 17 10.559 -1.071 -10.330 1.00 0.00 C ATOM 229 CG PRO A 17 11.657 -0.071 -10.221 1.00 0.00 C ATOM 230 CD PRO A 17 11.572 0.462 -8.819 1.00 0.00 C ATOM 0 HA PRO A 17 9.502 -2.007 -8.631 1.00 0.00 H new ATOM 0 HB2 PRO A 17 10.764 -1.804 -11.111 1.00 0.00 H new ATOM 0 HB3 PRO A 17 9.611 -0.595 -10.581 1.00 0.00 H new ATOM 0 HG2 PRO A 17 12.627 -0.531 -10.409 1.00 0.00 H new ATOM 0 HG3 PRO A 17 11.536 0.727 -10.953 1.00 0.00 H new ATOM 0 HD2 PRO A 17 12.540 0.809 -8.457 1.00 0.00 H new ATOM 0 HD3 PRO A 17 10.884 1.304 -8.746 1.00 0.00 H new ATOM 238 N LYS A 18 12.591 -2.989 -9.044 1.00 0.00 N ATOM 239 CA LYS A 18 13.381 -4.254 -9.049 1.00 0.00 C ATOM 240 C LYS A 18 13.160 -5.001 -7.731 1.00 0.00 C ATOM 241 O LYS A 18 13.163 -6.216 -7.688 1.00 0.00 O ATOM 242 CB LYS A 18 14.868 -3.937 -9.212 1.00 0.00 C ATOM 243 CG LYS A 18 15.148 -3.554 -10.668 1.00 0.00 C ATOM 244 CD LYS A 18 16.651 -3.354 -10.864 1.00 0.00 C ATOM 245 CE LYS A 18 16.908 -2.736 -12.241 1.00 0.00 C ATOM 246 NZ LYS A 18 17.689 -3.691 -13.076 1.00 0.00 N ATOM 0 H LYS A 18 13.138 -2.131 -9.119 1.00 0.00 H new ATOM 0 HA LYS A 18 13.053 -4.877 -9.881 1.00 0.00 H new ATOM 0 HB2 LYS A 18 15.152 -3.121 -8.548 1.00 0.00 H new ATOM 0 HB3 LYS A 18 15.469 -4.801 -8.929 1.00 0.00 H new ATOM 0 HG2 LYS A 18 14.784 -4.334 -11.337 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.613 -2.640 -10.924 1.00 0.00 H new ATOM 0 HD2 LYS A 18 17.047 -2.705 -10.083 1.00 0.00 H new ATOM 0 HD3 LYS A 18 17.170 -4.309 -10.779 1.00 0.00 H new ATOM 0 HE2 LYS A 18 15.962 -2.500 -12.728 1.00 0.00 H new ATOM 0 HE3 LYS A 18 17.454 -1.799 -12.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 17.864 -3.272 -14.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 18.598 -3.895 -12.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 17.152 -4.574 -13.188 1.00 0.00 H new ATOM 260 N LEU A 19 12.968 -4.287 -6.657 1.00 0.00 N ATOM 261 CA LEU A 19 12.749 -4.959 -5.345 1.00 0.00 C ATOM 262 C LEU A 19 11.293 -5.417 -5.236 1.00 0.00 C ATOM 263 O LEU A 19 10.990 -6.411 -4.607 1.00 0.00 O ATOM 264 CB LEU A 19 13.056 -3.977 -4.212 1.00 0.00 C ATOM 265 CG LEU A 19 12.861 -4.676 -2.864 1.00 0.00 C ATOM 266 CD1 LEU A 19 14.114 -5.484 -2.522 1.00 0.00 C ATOM 267 CD2 LEU A 19 12.617 -3.628 -1.777 1.00 0.00 C ATOM 0 H LEU A 19 12.953 -3.267 -6.631 1.00 0.00 H new ATOM 0 HA LEU A 19 13.408 -5.824 -5.270 1.00 0.00 H new ATOM 0 HB2 LEU A 19 14.079 -3.612 -4.300 1.00 0.00 H new ATOM 0 HB3 LEU A 19 12.401 -3.109 -4.282 1.00 0.00 H new ATOM 0 HG LEU A 19 12.003 -5.345 -2.923 1.00 0.00 H new ATOM 0 HD11 LEU A 19 13.975 -5.982 -1.562 1.00 0.00 H new ATOM 0 HD12 LEU A 19 14.288 -6.231 -3.296 1.00 0.00 H new ATOM 0 HD13 LEU A 19 14.973 -4.816 -2.463 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.478 -4.125 -0.817 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.475 -2.958 -1.718 1.00 0.00 H new ATOM 0 HD23 LEU A 19 11.724 -3.053 -2.020 1.00 0.00 H new ATOM 279 N PHE A 20 10.386 -4.697 -5.839 1.00 0.00 N ATOM 280 CA PHE A 20 8.949 -5.090 -5.762 1.00 0.00 C ATOM 281 C PHE A 20 8.720 -6.380 -6.553 1.00 0.00 C ATOM 282 O PHE A 20 7.874 -7.182 -6.215 1.00 0.00 O ATOM 283 CB PHE A 20 8.082 -3.975 -6.349 1.00 0.00 C ATOM 284 CG PHE A 20 6.632 -4.394 -6.307 1.00 0.00 C ATOM 285 CD1 PHE A 20 5.863 -4.140 -5.165 1.00 0.00 C ATOM 286 CD2 PHE A 20 6.056 -5.038 -7.409 1.00 0.00 C ATOM 287 CE1 PHE A 20 4.519 -4.529 -5.124 1.00 0.00 C ATOM 288 CE2 PHE A 20 4.711 -5.427 -7.368 1.00 0.00 C ATOM 289 CZ PHE A 20 3.943 -5.173 -6.226 1.00 0.00 C ATOM 0 H PHE A 20 10.577 -3.854 -6.381 1.00 0.00 H new ATOM 0 HA PHE A 20 8.679 -5.254 -4.719 1.00 0.00 H new ATOM 0 HB2 PHE A 20 8.223 -3.054 -5.784 1.00 0.00 H new ATOM 0 HB3 PHE A 20 8.383 -3.768 -7.376 1.00 0.00 H new ATOM 0 HD1 PHE A 20 6.307 -3.643 -4.315 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.649 -5.235 -8.290 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.926 -4.333 -4.243 1.00 0.00 H new ATOM 0 HE2 PHE A 20 4.266 -5.923 -8.218 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.906 -5.474 -6.195 1.00 0.00 H new ATOM 299 N LYS A 21 9.462 -6.586 -7.607 1.00 0.00 N ATOM 300 CA LYS A 21 9.275 -7.824 -8.415 1.00 0.00 C ATOM 301 C LYS A 21 9.672 -9.045 -7.583 1.00 0.00 C ATOM 302 O LYS A 21 8.985 -10.047 -7.566 1.00 0.00 O ATOM 303 CB LYS A 21 10.147 -7.757 -9.668 1.00 0.00 C ATOM 304 CG LYS A 21 9.894 -8.999 -10.527 1.00 0.00 C ATOM 305 CD LYS A 21 10.858 -9.006 -11.714 1.00 0.00 C ATOM 306 CE LYS A 21 10.483 -10.143 -12.666 1.00 0.00 C ATOM 307 NZ LYS A 21 11.707 -10.915 -13.023 1.00 0.00 N ATOM 0 H LYS A 21 10.188 -5.952 -7.943 1.00 0.00 H new ATOM 0 HA LYS A 21 8.228 -7.908 -8.706 1.00 0.00 H new ATOM 0 HB2 LYS A 21 9.919 -6.855 -10.236 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.199 -7.701 -9.390 1.00 0.00 H new ATOM 0 HG2 LYS A 21 10.030 -9.901 -9.930 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.864 -9.004 -10.882 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.816 -8.050 -12.237 1.00 0.00 H new ATOM 0 HD3 LYS A 21 11.882 -9.133 -11.364 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.750 -10.799 -12.196 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.019 -9.740 -13.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.453 -11.688 -13.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 12.392 -10.285 -13.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 12.132 -11.311 -12.160 1.00 0.00 H new ATOM 321 N ALA A 22 10.777 -8.971 -6.893 1.00 0.00 N ATOM 322 CA ALA A 22 11.215 -10.131 -6.065 1.00 0.00 C ATOM 323 C ALA A 22 10.521 -10.077 -4.703 1.00 0.00 C ATOM 324 O ALA A 22 10.429 -11.066 -4.003 1.00 0.00 O ATOM 325 CB ALA A 22 12.732 -10.074 -5.869 1.00 0.00 C ATOM 0 H ALA A 22 11.395 -8.160 -6.866 1.00 0.00 H new ATOM 0 HA ALA A 22 10.949 -11.059 -6.571 1.00 0.00 H new ATOM 0 HB1 ALA A 22 13.053 -10.922 -5.264 1.00 0.00 H new ATOM 0 HB2 ALA A 22 13.226 -10.114 -6.840 1.00 0.00 H new ATOM 0 HB3 ALA A 22 12.999 -9.146 -5.364 1.00 0.00 H new ATOM 331 N PHE A 23 10.028 -8.930 -4.322 1.00 0.00 N ATOM 332 CA PHE A 23 9.338 -8.816 -3.006 1.00 0.00 C ATOM 333 C PHE A 23 7.885 -9.269 -3.155 1.00 0.00 C ATOM 334 O PHE A 23 7.207 -9.540 -2.184 1.00 0.00 O ATOM 335 CB PHE A 23 9.374 -7.361 -2.536 1.00 0.00 C ATOM 336 CG PHE A 23 8.681 -7.246 -1.199 1.00 0.00 C ATOM 337 CD1 PHE A 23 7.297 -7.044 -1.144 1.00 0.00 C ATOM 338 CD2 PHE A 23 9.422 -7.343 -0.016 1.00 0.00 C ATOM 339 CE1 PHE A 23 6.654 -6.938 0.095 1.00 0.00 C ATOM 340 CE2 PHE A 23 8.779 -7.237 1.223 1.00 0.00 C ATOM 341 CZ PHE A 23 7.395 -7.035 1.278 1.00 0.00 C ATOM 0 H PHE A 23 10.073 -8.068 -4.865 1.00 0.00 H new ATOM 0 HA PHE A 23 9.843 -9.446 -2.273 1.00 0.00 H new ATOM 0 HB2 PHE A 23 10.406 -7.020 -2.453 1.00 0.00 H new ATOM 0 HB3 PHE A 23 8.884 -6.719 -3.268 1.00 0.00 H new ATOM 0 HD1 PHE A 23 6.725 -6.970 -2.057 1.00 0.00 H new ATOM 0 HD2 PHE A 23 10.490 -7.500 -0.059 1.00 0.00 H new ATOM 0 HE1 PHE A 23 5.586 -6.781 0.138 1.00 0.00 H new ATOM 0 HE2 PHE A 23 9.351 -7.311 2.136 1.00 0.00 H new ATOM 0 HZ PHE A 23 6.899 -6.954 2.234 1.00 0.00 H new ATOM 351 N VAL A 24 7.402 -9.356 -4.364 1.00 0.00 N ATOM 352 CA VAL A 24 5.994 -9.794 -4.575 1.00 0.00 C ATOM 353 C VAL A 24 5.982 -11.086 -5.396 1.00 0.00 C ATOM 354 O VAL A 24 5.542 -12.121 -4.936 1.00 0.00 O ATOM 355 CB VAL A 24 5.227 -8.702 -5.325 1.00 0.00 C ATOM 356 CG1 VAL A 24 3.798 -9.177 -5.596 1.00 0.00 C ATOM 357 CG2 VAL A 24 5.189 -7.432 -4.474 1.00 0.00 C ATOM 0 H VAL A 24 7.922 -9.142 -5.215 1.00 0.00 H new ATOM 0 HA VAL A 24 5.518 -9.972 -3.611 1.00 0.00 H new ATOM 0 HB VAL A 24 5.725 -8.492 -6.271 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.251 -8.400 -6.130 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.824 -10.083 -6.201 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.299 -9.387 -4.650 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.643 -6.653 -5.007 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.690 -7.643 -3.528 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.207 -7.094 -4.280 1.00 0.00 H new ATOM 367 N LEU A 25 6.460 -11.033 -6.610 1.00 0.00 N ATOM 368 CA LEU A 25 6.477 -12.259 -7.456 1.00 0.00 C ATOM 369 C LEU A 25 7.277 -13.354 -6.748 1.00 0.00 C ATOM 370 O LEU A 25 6.879 -14.502 -6.709 1.00 0.00 O ATOM 371 CB LEU A 25 7.128 -11.941 -8.805 1.00 0.00 C ATOM 372 CG LEU A 25 6.408 -10.757 -9.454 1.00 0.00 C ATOM 373 CD1 LEU A 25 6.953 -10.542 -10.867 1.00 0.00 C ATOM 374 CD2 LEU A 25 4.907 -11.049 -9.524 1.00 0.00 C ATOM 0 H LEU A 25 6.839 -10.195 -7.051 1.00 0.00 H new ATOM 0 HA LEU A 25 5.455 -12.602 -7.619 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.183 -11.706 -8.665 1.00 0.00 H new ATOM 0 HB3 LEU A 25 7.079 -12.812 -9.458 1.00 0.00 H new ATOM 0 HG LEU A 25 6.576 -9.859 -8.860 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.441 -9.699 -11.330 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.022 -10.334 -10.817 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.785 -11.440 -11.462 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.393 -10.206 -9.986 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.738 -11.947 -10.119 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.519 -11.202 -8.517 1.00 0.00 H new ATOM 386 N ASP A 26 8.403 -13.008 -6.186 1.00 0.00 N ATOM 387 CA ASP A 26 9.227 -14.028 -5.478 1.00 0.00 C ATOM 388 C ASP A 26 8.917 -13.981 -3.980 1.00 0.00 C ATOM 389 O ASP A 26 9.648 -14.513 -3.168 1.00 0.00 O ATOM 390 CB ASP A 26 10.711 -13.728 -5.700 1.00 0.00 C ATOM 391 CG ASP A 26 11.010 -13.709 -7.200 1.00 0.00 C ATOM 392 OD1 ASP A 26 10.184 -14.195 -7.956 1.00 0.00 O ATOM 393 OD2 ASP A 26 12.061 -13.209 -7.569 1.00 0.00 O ATOM 0 H ASP A 26 8.788 -12.063 -6.187 1.00 0.00 H new ATOM 0 HA ASP A 26 8.994 -15.019 -5.868 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.969 -12.767 -5.255 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.323 -14.483 -5.206 1.00 0.00 H new ATOM 398 N ALA A 27 7.837 -13.348 -3.608 1.00 0.00 N ATOM 399 CA ALA A 27 7.481 -13.269 -2.163 1.00 0.00 C ATOM 400 C ALA A 27 7.063 -14.654 -1.666 1.00 0.00 C ATOM 401 O ALA A 27 7.112 -14.943 -0.488 1.00 0.00 O ATOM 402 CB ALA A 27 6.320 -12.289 -1.977 1.00 0.00 C ATOM 0 H ALA A 27 7.187 -12.883 -4.242 1.00 0.00 H new ATOM 0 HA ALA A 27 8.344 -12.923 -1.594 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.059 -12.231 -0.920 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.616 -11.302 -2.333 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.457 -12.635 -2.545 1.00 0.00 H new ATOM 408 N ASP A 28 6.651 -15.514 -2.557 1.00 0.00 N ATOM 409 CA ASP A 28 6.231 -16.879 -2.135 1.00 0.00 C ATOM 410 C ASP A 28 7.472 -17.729 -1.859 1.00 0.00 C ATOM 411 O ASP A 28 7.485 -18.555 -0.968 1.00 0.00 O ATOM 412 CB ASP A 28 5.407 -17.526 -3.251 1.00 0.00 C ATOM 413 CG ASP A 28 4.067 -16.800 -3.378 1.00 0.00 C ATOM 414 OD1 ASP A 28 3.767 -15.993 -2.514 1.00 0.00 O ATOM 415 OD2 ASP A 28 3.362 -17.064 -4.339 1.00 0.00 O ATOM 0 H ASP A 28 6.587 -15.330 -3.558 1.00 0.00 H new ATOM 0 HA ASP A 28 5.627 -16.812 -1.230 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.951 -17.477 -4.195 1.00 0.00 H new ATOM 0 HB3 ASP A 28 5.242 -18.581 -3.032 1.00 0.00 H new ATOM 420 N ASN A 29 8.517 -17.533 -2.616 1.00 0.00 N ATOM 421 CA ASN A 29 9.757 -18.330 -2.395 1.00 0.00 C ATOM 422 C ASN A 29 10.745 -17.514 -1.559 1.00 0.00 C ATOM 423 O ASN A 29 11.516 -18.054 -0.792 1.00 0.00 O ATOM 424 CB ASN A 29 10.391 -18.673 -3.745 1.00 0.00 C ATOM 425 CG ASN A 29 9.393 -19.465 -4.592 1.00 0.00 C ATOM 426 OD1 ASN A 29 9.196 -19.170 -5.753 1.00 0.00 O ATOM 427 ND2 ASN A 29 8.751 -20.466 -4.054 1.00 0.00 N ATOM 0 H ASN A 29 8.566 -16.856 -3.377 1.00 0.00 H new ATOM 0 HA ASN A 29 9.508 -19.251 -1.867 1.00 0.00 H new ATOM 0 HB2 ASN A 29 10.681 -17.760 -4.265 1.00 0.00 H new ATOM 0 HB3 ASN A 29 11.299 -19.256 -3.594 1.00 0.00 H new ATOM 0 HD21 ASN A 29 8.083 -21.001 -4.609 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.917 -20.713 -3.078 1.00 0.00 H new ATOM 434 N LEU A 30 10.726 -16.218 -1.701 1.00 0.00 N ATOM 435 CA LEU A 30 11.665 -15.368 -0.914 1.00 0.00 C ATOM 436 C LEU A 30 11.359 -15.518 0.577 1.00 0.00 C ATOM 437 O LEU A 30 12.251 -15.566 1.402 1.00 0.00 O ATOM 438 CB LEU A 30 11.496 -13.905 -1.325 1.00 0.00 C ATOM 439 CG LEU A 30 12.564 -13.056 -0.634 1.00 0.00 C ATOM 440 CD1 LEU A 30 13.936 -13.704 -0.830 1.00 0.00 C ATOM 441 CD2 LEU A 30 12.573 -11.651 -1.242 1.00 0.00 C ATOM 0 H LEU A 30 10.102 -15.710 -2.327 1.00 0.00 H new ATOM 0 HA LEU A 30 12.690 -15.683 -1.108 1.00 0.00 H new ATOM 0 HB2 LEU A 30 11.582 -13.808 -2.407 1.00 0.00 H new ATOM 0 HB3 LEU A 30 10.502 -13.552 -1.052 1.00 0.00 H new ATOM 0 HG LEU A 30 12.341 -12.990 0.431 1.00 0.00 H new ATOM 0 HD11 LEU A 30 14.698 -13.099 -0.338 1.00 0.00 H new ATOM 0 HD12 LEU A 30 13.931 -14.704 -0.397 1.00 0.00 H new ATOM 0 HD13 LEU A 30 14.158 -13.771 -1.895 1.00 0.00 H new ATOM 0 HD21 LEU A 30 13.334 -11.046 -0.749 1.00 0.00 H new ATOM 0 HD22 LEU A 30 12.795 -11.717 -2.307 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.596 -11.188 -1.103 1.00 0.00 H new ATOM 453 N ILE A 31 10.106 -15.595 0.930 1.00 0.00 N ATOM 454 CA ILE A 31 9.746 -15.745 2.368 1.00 0.00 C ATOM 455 C ILE A 31 10.464 -16.977 2.933 1.00 0.00 C ATOM 456 O ILE A 31 11.242 -16.880 3.861 1.00 0.00 O ATOM 457 CB ILE A 31 8.216 -15.897 2.492 1.00 0.00 C ATOM 458 CG1 ILE A 31 7.576 -14.515 2.675 1.00 0.00 C ATOM 459 CG2 ILE A 31 7.855 -16.772 3.699 1.00 0.00 C ATOM 460 CD1 ILE A 31 8.198 -13.517 1.693 1.00 0.00 C ATOM 0 H ILE A 31 9.316 -15.561 0.286 1.00 0.00 H new ATOM 0 HA ILE A 31 10.055 -14.867 2.934 1.00 0.00 H new ATOM 0 HB ILE A 31 7.843 -16.369 1.583 1.00 0.00 H new ATOM 0 HG12 ILE A 31 6.500 -14.578 2.510 1.00 0.00 H new ATOM 0 HG13 ILE A 31 7.722 -14.170 3.699 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.771 -16.867 3.769 1.00 0.00 H new ATOM 0 HG22 ILE A 31 8.299 -17.760 3.578 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.238 -16.312 4.610 1.00 0.00 H new ATOM 0 HD11 ILE A 31 7.738 -12.538 1.829 1.00 0.00 H new ATOM 0 HD12 ILE A 31 9.270 -13.444 1.879 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.029 -13.858 0.672 1.00 0.00 H new ATOM 472 N PRO A 32 10.198 -18.154 2.351 1.00 0.00 N ATOM 473 CA PRO A 32 10.818 -19.411 2.786 1.00 0.00 C ATOM 474 C PRO A 32 12.305 -19.462 2.422 1.00 0.00 C ATOM 475 O PRO A 32 13.036 -20.321 2.871 1.00 0.00 O ATOM 476 CB PRO A 32 10.053 -20.478 2.005 1.00 0.00 C ATOM 477 CG PRO A 32 9.544 -19.767 0.797 1.00 0.00 C ATOM 478 CD PRO A 32 9.270 -18.352 1.224 1.00 0.00 C ATOM 0 HA PRO A 32 10.769 -19.540 3.867 1.00 0.00 H new ATOM 0 HB2 PRO A 32 10.702 -21.310 1.731 1.00 0.00 H new ATOM 0 HB3 PRO A 32 9.235 -20.892 2.595 1.00 0.00 H new ATOM 0 HG2 PRO A 32 10.278 -19.795 -0.008 1.00 0.00 H new ATOM 0 HG3 PRO A 32 8.638 -20.241 0.419 1.00 0.00 H new ATOM 0 HD2 PRO A 32 9.460 -17.644 0.417 1.00 0.00 H new ATOM 0 HD3 PRO A 32 8.232 -18.217 1.529 1.00 0.00 H new ATOM 486 N LYS A 33 12.755 -18.544 1.611 1.00 0.00 N ATOM 487 CA LYS A 33 14.191 -18.535 1.216 1.00 0.00 C ATOM 488 C LYS A 33 15.039 -18.056 2.395 1.00 0.00 C ATOM 489 O LYS A 33 16.075 -18.616 2.696 1.00 0.00 O ATOM 490 CB LYS A 33 14.386 -17.590 0.029 1.00 0.00 C ATOM 491 CG LYS A 33 15.842 -17.650 -0.438 1.00 0.00 C ATOM 492 CD LYS A 33 16.088 -18.969 -1.172 1.00 0.00 C ATOM 493 CE LYS A 33 17.521 -18.995 -1.707 1.00 0.00 C ATOM 494 NZ LYS A 33 18.051 -20.387 -1.643 1.00 0.00 N ATOM 0 H LYS A 33 12.189 -17.799 1.205 1.00 0.00 H new ATOM 0 HA LYS A 33 14.498 -19.542 0.933 1.00 0.00 H new ATOM 0 HB2 LYS A 33 13.720 -17.871 -0.786 1.00 0.00 H new ATOM 0 HB3 LYS A 33 14.127 -16.571 0.316 1.00 0.00 H new ATOM 0 HG2 LYS A 33 16.059 -16.809 -1.097 1.00 0.00 H new ATOM 0 HG3 LYS A 33 16.513 -17.567 0.417 1.00 0.00 H new ATOM 0 HD2 LYS A 33 15.925 -19.809 -0.497 1.00 0.00 H new ATOM 0 HD3 LYS A 33 15.380 -19.078 -1.993 1.00 0.00 H new ATOM 0 HE2 LYS A 33 17.543 -18.633 -2.735 1.00 0.00 H new ATOM 0 HE3 LYS A 33 18.152 -18.327 -1.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 19.025 -20.405 -2.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 18.044 -20.716 -0.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 17.454 -21.013 -2.221 1.00 0.00 H new ATOM 508 N ILE A 34 14.609 -17.021 3.067 1.00 0.00 N ATOM 509 CA ILE A 34 15.393 -16.510 4.226 1.00 0.00 C ATOM 510 C ILE A 34 15.381 -17.549 5.348 1.00 0.00 C ATOM 511 O ILE A 34 16.368 -17.759 6.025 1.00 0.00 O ATOM 512 CB ILE A 34 14.770 -15.206 4.731 1.00 0.00 C ATOM 513 CG1 ILE A 34 14.792 -14.162 3.613 1.00 0.00 C ATOM 514 CG2 ILE A 34 15.573 -14.690 5.926 1.00 0.00 C ATOM 515 CD1 ILE A 34 13.939 -12.959 4.024 1.00 0.00 C ATOM 0 H ILE A 34 13.751 -16.509 2.863 1.00 0.00 H new ATOM 0 HA ILE A 34 16.421 -16.324 3.914 1.00 0.00 H new ATOM 0 HB ILE A 34 13.739 -15.389 5.035 1.00 0.00 H new ATOM 0 HG12 ILE A 34 15.816 -13.845 3.416 1.00 0.00 H new ATOM 0 HG13 ILE A 34 14.409 -14.595 2.689 1.00 0.00 H new ATOM 0 HG21 ILE A 34 15.131 -13.761 6.287 1.00 0.00 H new ATOM 0 HG22 ILE A 34 15.558 -15.433 6.723 1.00 0.00 H new ATOM 0 HG23 ILE A 34 16.603 -14.507 5.620 1.00 0.00 H new ATOM 0 HD11 ILE A 34 13.953 -12.214 3.229 1.00 0.00 H new ATOM 0 HD12 ILE A 34 12.913 -13.283 4.199 1.00 0.00 H new ATOM 0 HD13 ILE A 34 14.342 -12.522 4.938 1.00 0.00 H new ATOM 527 N ALA A 35 14.269 -18.202 5.553 1.00 0.00 N ATOM 528 CA ALA A 35 14.193 -19.227 6.633 1.00 0.00 C ATOM 529 C ALA A 35 13.370 -20.422 6.147 1.00 0.00 C ATOM 530 O ALA A 35 12.224 -20.588 6.515 1.00 0.00 O ATOM 531 CB ALA A 35 13.526 -18.619 7.867 1.00 0.00 C ATOM 0 H ALA A 35 13.410 -18.070 5.019 1.00 0.00 H new ATOM 0 HA ALA A 35 15.199 -19.559 6.889 1.00 0.00 H new ATOM 0 HB1 ALA A 35 13.470 -19.368 8.657 1.00 0.00 H new ATOM 0 HB2 ALA A 35 14.111 -17.768 8.215 1.00 0.00 H new ATOM 0 HB3 ALA A 35 12.520 -18.287 7.610 1.00 0.00 H new ATOM 537 N PRO A 36 13.972 -21.270 5.300 1.00 0.00 N ATOM 538 CA PRO A 36 13.301 -22.457 4.756 1.00 0.00 C ATOM 539 C PRO A 36 13.089 -23.530 5.829 1.00 0.00 C ATOM 540 O PRO A 36 12.131 -24.277 5.791 1.00 0.00 O ATOM 541 CB PRO A 36 14.276 -22.965 3.695 1.00 0.00 C ATOM 542 CG PRO A 36 15.609 -22.456 4.133 1.00 0.00 C ATOM 543 CD PRO A 36 15.354 -21.137 4.809 1.00 0.00 C ATOM 0 HA PRO A 36 12.310 -22.225 4.366 1.00 0.00 H new ATOM 0 HB2 PRO A 36 14.267 -24.053 3.637 1.00 0.00 H new ATOM 0 HB3 PRO A 36 14.015 -22.591 2.705 1.00 0.00 H new ATOM 0 HG2 PRO A 36 16.088 -23.157 4.816 1.00 0.00 H new ATOM 0 HG3 PRO A 36 16.278 -22.334 3.281 1.00 0.00 H new ATOM 0 HD2 PRO A 36 16.055 -20.961 5.624 1.00 0.00 H new ATOM 0 HD3 PRO A 36 15.456 -20.303 4.115 1.00 0.00 H new ATOM 551 N GLN A 37 13.976 -23.612 6.783 1.00 0.00 N ATOM 552 CA GLN A 37 13.825 -24.635 7.856 1.00 0.00 C ATOM 553 C GLN A 37 12.714 -24.203 8.816 1.00 0.00 C ATOM 554 O GLN A 37 12.132 -25.014 9.510 1.00 0.00 O ATOM 555 CB GLN A 37 15.140 -24.767 8.623 1.00 0.00 C ATOM 556 CG GLN A 37 16.232 -25.273 7.678 1.00 0.00 C ATOM 557 CD GLN A 37 17.569 -25.322 8.422 1.00 0.00 C ATOM 558 OE1 GLN A 37 17.733 -24.682 9.441 1.00 0.00 O ATOM 559 NE2 GLN A 37 18.536 -26.058 7.949 1.00 0.00 N ATOM 0 H GLN A 37 14.799 -23.015 6.866 1.00 0.00 H new ATOM 0 HA GLN A 37 13.568 -25.596 7.410 1.00 0.00 H new ATOM 0 HB2 GLN A 37 15.426 -23.803 9.044 1.00 0.00 H new ATOM 0 HB3 GLN A 37 15.019 -25.457 9.458 1.00 0.00 H new ATOM 0 HG2 GLN A 37 15.975 -26.264 7.305 1.00 0.00 H new ATOM 0 HG3 GLN A 37 16.310 -24.617 6.811 1.00 0.00 H new ATOM 0 HE21 GLN A 37 18.396 -26.595 7.093 1.00 0.00 H new ATOM 0 HE22 GLN A 37 19.432 -26.097 8.435 1.00 0.00 H new ATOM 568 N ALA A 38 12.417 -22.933 8.863 1.00 0.00 N ATOM 569 CA ALA A 38 11.345 -22.454 9.779 1.00 0.00 C ATOM 570 C ALA A 38 9.982 -22.894 9.239 1.00 0.00 C ATOM 571 O ALA A 38 9.092 -23.248 9.986 1.00 0.00 O ATOM 572 CB ALA A 38 11.389 -20.927 9.862 1.00 0.00 C ATOM 0 H ALA A 38 12.870 -22.208 8.307 1.00 0.00 H new ATOM 0 HA ALA A 38 11.499 -22.877 10.772 1.00 0.00 H new ATOM 0 HB1 ALA A 38 10.604 -20.576 10.532 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.360 -20.611 10.243 1.00 0.00 H new ATOM 0 HB3 ALA A 38 11.234 -20.504 8.869 1.00 0.00 H new ATOM 578 N VAL A 39 9.813 -22.873 7.945 1.00 0.00 N ATOM 579 CA VAL A 39 8.509 -23.289 7.357 1.00 0.00 C ATOM 580 C VAL A 39 8.729 -24.473 6.413 1.00 0.00 C ATOM 581 O VAL A 39 9.749 -24.576 5.760 1.00 0.00 O ATOM 582 CB VAL A 39 7.909 -22.118 6.575 1.00 0.00 C ATOM 583 CG1 VAL A 39 8.965 -21.541 5.631 1.00 0.00 C ATOM 584 CG2 VAL A 39 6.709 -22.609 5.761 1.00 0.00 C ATOM 0 H VAL A 39 10.522 -22.586 7.270 1.00 0.00 H new ATOM 0 HA VAL A 39 7.827 -23.583 8.155 1.00 0.00 H new ATOM 0 HB VAL A 39 7.583 -21.345 7.271 1.00 0.00 H new ATOM 0 HG11 VAL A 39 8.538 -20.707 5.074 1.00 0.00 H new ATOM 0 HG12 VAL A 39 9.819 -21.191 6.211 1.00 0.00 H new ATOM 0 HG13 VAL A 39 9.291 -22.313 4.935 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.282 -21.775 5.204 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.034 -23.382 5.065 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.956 -23.020 6.434 1.00 0.00 H new ATOM 594 N LYS A 40 7.783 -25.366 6.336 1.00 0.00 N ATOM 595 CA LYS A 40 7.940 -26.542 5.434 1.00 0.00 C ATOM 596 C LYS A 40 7.771 -26.097 3.981 1.00 0.00 C ATOM 597 O LYS A 40 8.546 -26.461 3.117 1.00 0.00 O ATOM 598 CB LYS A 40 6.876 -27.591 5.770 1.00 0.00 C ATOM 599 CG LYS A 40 7.160 -28.870 4.982 1.00 0.00 C ATOM 600 CD LYS A 40 6.116 -29.930 5.337 1.00 0.00 C ATOM 601 CE LYS A 40 6.463 -31.244 4.634 1.00 0.00 C ATOM 602 NZ LYS A 40 6.480 -32.351 5.631 1.00 0.00 N ATOM 0 H LYS A 40 6.908 -25.333 6.858 1.00 0.00 H new ATOM 0 HA LYS A 40 8.932 -26.972 5.571 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.881 -27.801 6.840 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.884 -27.211 5.524 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.135 -28.664 3.912 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.160 -29.237 5.213 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.087 -30.079 6.416 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.124 -29.594 5.034 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.733 -31.455 3.853 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.435 -31.163 4.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.716 -33.244 5.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.193 -32.150 6.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.543 -32.433 6.075 1.00 0.00 H new ATOM 616 N CYS A 41 6.766 -25.313 3.702 1.00 0.00 N ATOM 617 CA CYS A 41 6.552 -24.848 2.303 1.00 0.00 C ATOM 618 C CYS A 41 5.289 -23.986 2.237 1.00 0.00 C ATOM 619 O CYS A 41 4.304 -24.259 2.894 1.00 0.00 O ATOM 620 CB CYS A 41 6.389 -26.059 1.383 1.00 0.00 C ATOM 621 SG CYS A 41 7.745 -26.094 0.185 1.00 0.00 S ATOM 0 H CYS A 41 6.085 -24.975 4.382 1.00 0.00 H new ATOM 0 HA CYS A 41 7.411 -24.259 1.982 1.00 0.00 H new ATOM 0 HB2 CYS A 41 6.385 -26.977 1.970 1.00 0.00 H new ATOM 0 HB3 CYS A 41 5.432 -26.008 0.864 1.00 0.00 H new ATOM 0 HG CYS A 41 8.869 -26.296 0.807 1.00 0.00 H new ATOM 627 N ALA A 42 5.310 -22.946 1.449 1.00 0.00 N ATOM 628 CA ALA A 42 4.110 -22.068 1.341 1.00 0.00 C ATOM 629 C ALA A 42 3.402 -22.337 0.012 1.00 0.00 C ATOM 630 O ALA A 42 4.013 -22.350 -1.038 1.00 0.00 O ATOM 631 CB ALA A 42 4.543 -20.602 1.402 1.00 0.00 C ATOM 0 H ALA A 42 6.106 -22.666 0.875 1.00 0.00 H new ATOM 0 HA ALA A 42 3.429 -22.279 2.165 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.666 -19.960 1.323 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.048 -20.411 2.349 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.224 -20.389 0.578 1.00 0.00 H new ATOM 637 N GLU A 43 2.114 -22.552 0.048 1.00 0.00 N ATOM 638 CA GLU A 43 1.369 -22.819 -1.214 1.00 0.00 C ATOM 639 C GLU A 43 0.175 -21.868 -1.314 1.00 0.00 C ATOM 640 O GLU A 43 -0.340 -21.394 -0.321 1.00 0.00 O ATOM 641 CB GLU A 43 0.870 -24.266 -1.215 1.00 0.00 C ATOM 642 CG GLU A 43 2.063 -25.216 -1.106 1.00 0.00 C ATOM 643 CD GLU A 43 1.570 -26.663 -1.165 1.00 0.00 C ATOM 644 OE1 GLU A 43 0.368 -26.862 -1.107 1.00 0.00 O ATOM 645 OE2 GLU A 43 2.404 -27.548 -1.268 1.00 0.00 O ATOM 0 H GLU A 43 1.547 -22.554 0.896 1.00 0.00 H new ATOM 0 HA GLU A 43 2.030 -22.661 -2.066 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.186 -24.427 -0.382 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.312 -24.469 -2.129 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.767 -25.027 -1.916 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.597 -25.040 -0.172 1.00 0.00 H new ATOM 652 N ILE A 44 -0.270 -21.585 -2.509 1.00 0.00 N ATOM 653 CA ILE A 44 -1.432 -20.665 -2.673 1.00 0.00 C ATOM 654 C ILE A 44 -2.674 -21.473 -3.054 1.00 0.00 C ATOM 655 O ILE A 44 -2.693 -22.169 -4.049 1.00 0.00 O ATOM 656 CB ILE A 44 -1.126 -19.649 -3.776 1.00 0.00 C ATOM 657 CG1 ILE A 44 0.259 -19.041 -3.542 1.00 0.00 C ATOM 658 CG2 ILE A 44 -2.180 -18.541 -3.754 1.00 0.00 C ATOM 659 CD1 ILE A 44 0.572 -18.040 -4.657 1.00 0.00 C ATOM 0 H ILE A 44 0.120 -21.951 -3.377 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.615 -20.140 -1.735 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.143 -20.149 -4.745 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.290 -18.543 -2.573 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.014 -19.827 -3.522 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.963 -17.817 -4.539 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.166 -18.974 -3.922 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.163 -18.042 -2.785 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.558 -17.607 -4.491 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.558 -18.551 -5.620 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.177 -17.248 -4.656 1.00 0.00 H new ATOM 671 N LEU A 45 -3.715 -21.383 -2.271 1.00 0.00 N ATOM 672 CA LEU A 45 -4.955 -22.144 -2.590 1.00 0.00 C ATOM 673 C LEU A 45 -5.592 -21.568 -3.856 1.00 0.00 C ATOM 674 O LEU A 45 -6.024 -22.293 -4.729 1.00 0.00 O ATOM 675 CB LEU A 45 -5.940 -22.027 -1.426 1.00 0.00 C ATOM 676 CG LEU A 45 -5.409 -22.813 -0.225 1.00 0.00 C ATOM 677 CD1 LEU A 45 -4.287 -22.021 0.448 1.00 0.00 C ATOM 678 CD2 LEU A 45 -6.543 -23.042 0.776 1.00 0.00 C ATOM 0 H LEU A 45 -3.760 -20.815 -1.425 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.707 -23.193 -2.751 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.078 -20.980 -1.156 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.916 -22.411 -1.722 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.022 -23.775 -0.563 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.909 -22.581 1.303 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.479 -21.858 -0.265 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.673 -21.059 0.786 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.165 -23.602 1.632 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.930 -22.081 1.114 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.343 -23.607 0.297 1.00 0.00 H new ATOM 690 N GLU A 46 -5.654 -20.269 -3.960 1.00 0.00 N ATOM 691 CA GLU A 46 -6.264 -19.646 -5.170 1.00 0.00 C ATOM 692 C GLU A 46 -5.771 -18.203 -5.303 1.00 0.00 C ATOM 693 O GLU A 46 -5.347 -17.590 -4.343 1.00 0.00 O ATOM 694 CB GLU A 46 -7.787 -19.652 -5.035 1.00 0.00 C ATOM 695 CG GLU A 46 -8.290 -21.097 -4.975 1.00 0.00 C ATOM 696 CD GLU A 46 -9.819 -21.108 -5.022 1.00 0.00 C ATOM 697 OE1 GLU A 46 -10.402 -20.039 -4.948 1.00 0.00 O ATOM 698 OE2 GLU A 46 -10.380 -22.185 -5.132 1.00 0.00 O ATOM 0 H GLU A 46 -5.309 -19.612 -3.260 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.975 -20.213 -6.055 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.085 -19.115 -4.135 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.239 -19.133 -5.880 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.886 -21.669 -5.810 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.940 -21.577 -4.061 1.00 0.00 H new ATOM 705 N GLY A 47 -5.824 -17.656 -6.486 1.00 0.00 N ATOM 706 CA GLY A 47 -5.360 -16.254 -6.680 1.00 0.00 C ATOM 707 C GLY A 47 -3.972 -16.261 -7.324 1.00 0.00 C ATOM 708 O GLY A 47 -3.676 -15.465 -8.192 1.00 0.00 O ATOM 0 H GLY A 47 -6.169 -18.120 -7.327 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.063 -15.711 -7.312 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.326 -15.735 -5.722 1.00 0.00 H new ATOM 712 N ASP A 48 -3.119 -17.155 -6.905 1.00 0.00 N ATOM 713 CA ASP A 48 -1.751 -17.215 -7.494 1.00 0.00 C ATOM 714 C ASP A 48 -1.044 -15.875 -7.282 1.00 0.00 C ATOM 715 O ASP A 48 -0.312 -15.407 -8.131 1.00 0.00 O ATOM 716 CB ASP A 48 -1.853 -17.507 -8.992 1.00 0.00 C ATOM 717 CG ASP A 48 -2.375 -18.930 -9.199 1.00 0.00 C ATOM 718 OD1 ASP A 48 -2.441 -19.663 -8.227 1.00 0.00 O ATOM 719 OD2 ASP A 48 -2.700 -19.261 -10.328 1.00 0.00 O ATOM 0 H ASP A 48 -3.310 -17.847 -6.180 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.181 -18.007 -7.008 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.521 -16.790 -9.469 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.876 -17.394 -9.463 1.00 0.00 H new ATOM 724 N GLY A 49 -1.255 -15.253 -6.154 1.00 0.00 N ATOM 725 CA GLY A 49 -0.593 -13.944 -5.890 1.00 0.00 C ATOM 726 C GLY A 49 -1.465 -12.811 -6.435 1.00 0.00 C ATOM 727 O GLY A 49 -0.980 -11.749 -6.771 1.00 0.00 O ATOM 0 H GLY A 49 -1.857 -15.594 -5.404 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.436 -13.813 -4.819 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.389 -13.920 -6.361 1.00 0.00 H new ATOM 731 N GLY A 50 -2.749 -13.028 -6.524 1.00 0.00 N ATOM 732 CA GLY A 50 -3.650 -11.962 -7.047 1.00 0.00 C ATOM 733 C GLY A 50 -4.542 -11.449 -5.915 1.00 0.00 C ATOM 734 O GLY A 50 -4.300 -11.715 -4.754 1.00 0.00 O ATOM 0 H GLY A 50 -3.213 -13.897 -6.257 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.061 -11.143 -7.460 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.263 -12.355 -7.858 1.00 0.00 H new ATOM 738 N PRO A 51 -5.595 -10.698 -6.267 1.00 0.00 N ATOM 739 CA PRO A 51 -6.535 -10.141 -5.286 1.00 0.00 C ATOM 740 C PRO A 51 -7.395 -11.231 -4.642 1.00 0.00 C ATOM 741 O PRO A 51 -7.982 -12.053 -5.317 1.00 0.00 O ATOM 742 CB PRO A 51 -7.411 -9.207 -6.120 1.00 0.00 C ATOM 743 CG PRO A 51 -7.333 -9.754 -7.505 1.00 0.00 C ATOM 744 CD PRO A 51 -5.953 -10.334 -7.649 1.00 0.00 C ATOM 0 HA PRO A 51 -6.022 -9.643 -4.464 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -8.438 -9.196 -5.755 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -7.047 -8.180 -6.078 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -8.095 -10.517 -7.666 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -7.505 -8.971 -8.243 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -5.948 -11.202 -8.308 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -5.254 -9.611 -8.069 1.00 0.00 H new ATOM 752 N GLY A 52 -7.474 -11.245 -3.339 1.00 0.00 N ATOM 753 CA GLY A 52 -8.294 -12.281 -2.652 1.00 0.00 C ATOM 754 C GLY A 52 -7.604 -13.640 -2.775 1.00 0.00 C ATOM 755 O GLY A 52 -8.242 -14.674 -2.788 1.00 0.00 O ATOM 0 H GLY A 52 -7.005 -10.583 -2.721 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.423 -12.020 -1.602 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -9.289 -12.325 -3.094 1.00 0.00 H new ATOM 759 N THR A 53 -6.301 -13.648 -2.864 1.00 0.00 N ATOM 760 CA THR A 53 -5.569 -14.940 -2.987 1.00 0.00 C ATOM 761 C THR A 53 -5.423 -15.577 -1.604 1.00 0.00 C ATOM 762 O THR A 53 -5.215 -14.900 -0.616 1.00 0.00 O ATOM 763 CB THR A 53 -4.181 -14.686 -3.580 1.00 0.00 C ATOM 764 OG1 THR A 53 -4.317 -14.113 -4.873 1.00 0.00 O ATOM 765 CG2 THR A 53 -3.418 -16.007 -3.681 1.00 0.00 C ATOM 0 H THR A 53 -5.712 -12.815 -2.857 1.00 0.00 H new ATOM 0 HA THR A 53 -6.126 -15.612 -3.640 1.00 0.00 H new ATOM 0 HB THR A 53 -3.630 -14.000 -2.936 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.716 -13.221 -4.795 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.430 -15.825 -4.103 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.313 -16.444 -2.688 1.00 0.00 H new ATOM 0 HG23 THR A 53 -3.966 -16.696 -4.324 1.00 0.00 H new ATOM 773 N ILE A 54 -5.529 -16.875 -1.524 1.00 0.00 N ATOM 774 CA ILE A 54 -5.395 -17.555 -0.206 1.00 0.00 C ATOM 775 C ILE A 54 -4.121 -18.402 -0.199 1.00 0.00 C ATOM 776 O ILE A 54 -3.875 -19.177 -1.102 1.00 0.00 O ATOM 777 CB ILE A 54 -6.609 -18.456 0.031 1.00 0.00 C ATOM 778 CG1 ILE A 54 -7.889 -17.625 -0.078 1.00 0.00 C ATOM 779 CG2 ILE A 54 -6.520 -19.075 1.427 1.00 0.00 C ATOM 780 CD1 ILE A 54 -9.106 -18.543 0.057 1.00 0.00 C ATOM 0 H ILE A 54 -5.703 -17.494 -2.316 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.340 -16.807 0.585 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.625 -19.249 -0.717 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.907 -16.862 0.700 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -7.917 -17.105 -1.035 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.385 -19.717 1.596 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.608 -19.667 1.505 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.504 -18.283 2.176 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -10.018 -17.952 -0.021 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -9.089 -19.289 -0.737 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -9.079 -19.043 1.025 1.00 0.00 H new ATOM 792 N LYS A 55 -3.308 -18.261 0.811 1.00 0.00 N ATOM 793 CA LYS A 55 -2.051 -19.058 0.870 1.00 0.00 C ATOM 794 C LYS A 55 -1.997 -19.837 2.186 1.00 0.00 C ATOM 795 O LYS A 55 -2.469 -19.382 3.209 1.00 0.00 O ATOM 796 CB LYS A 55 -0.846 -18.119 0.784 1.00 0.00 C ATOM 797 CG LYS A 55 -0.957 -17.262 -0.478 1.00 0.00 C ATOM 798 CD LYS A 55 0.289 -16.385 -0.609 1.00 0.00 C ATOM 799 CE LYS A 55 0.136 -15.460 -1.818 1.00 0.00 C ATOM 800 NZ LYS A 55 1.485 -15.063 -2.312 1.00 0.00 N ATOM 0 H LYS A 55 -3.460 -17.629 1.597 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.028 -19.757 0.034 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.804 -17.481 1.667 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.078 -18.697 0.764 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.060 -17.900 -1.356 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.850 -16.639 -0.430 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.429 -15.796 0.297 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.175 -17.009 -0.725 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.419 -15.966 -2.609 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.437 -14.575 -1.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.433 -14.846 -3.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.811 -14.222 -1.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.154 -15.844 -2.159 1.00 0.00 H new ATOM 814 N LYS A 56 -1.423 -21.009 2.167 1.00 0.00 N ATOM 815 CA LYS A 56 -1.334 -21.819 3.413 1.00 0.00 C ATOM 816 C LYS A 56 0.134 -22.141 3.701 1.00 0.00 C ATOM 817 O LYS A 56 0.817 -22.738 2.894 1.00 0.00 O ATOM 818 CB LYS A 56 -2.117 -23.121 3.230 1.00 0.00 C ATOM 819 CG LYS A 56 -2.109 -23.910 4.540 1.00 0.00 C ATOM 820 CD LYS A 56 -2.792 -25.262 4.323 1.00 0.00 C ATOM 821 CE LYS A 56 -2.975 -25.966 5.670 1.00 0.00 C ATOM 822 NZ LYS A 56 -4.221 -26.782 5.637 1.00 0.00 N ATOM 0 H LYS A 56 -1.011 -21.441 1.340 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.755 -21.258 4.247 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -3.142 -22.902 2.931 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.673 -23.716 2.432 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.085 -24.058 4.882 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -2.627 -23.349 5.318 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.759 -25.119 3.841 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.192 -25.881 3.656 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -2.116 -26.603 5.880 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -3.030 -25.231 6.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.347 -27.261 6.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.037 -26.163 5.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.151 -27.493 4.881 1.00 0.00 H new ATOM 836 N ILE A 57 0.626 -21.749 4.845 1.00 0.00 N ATOM 837 CA ILE A 57 2.051 -22.033 5.174 1.00 0.00 C ATOM 838 C ILE A 57 2.122 -22.995 6.362 1.00 0.00 C ATOM 839 O ILE A 57 1.462 -22.811 7.365 1.00 0.00 O ATOM 840 CB ILE A 57 2.761 -20.727 5.535 1.00 0.00 C ATOM 841 CG1 ILE A 57 2.517 -19.692 4.435 1.00 0.00 C ATOM 842 CG2 ILE A 57 4.263 -20.984 5.668 1.00 0.00 C ATOM 843 CD1 ILE A 57 2.671 -18.285 5.015 1.00 0.00 C ATOM 0 H ILE A 57 0.105 -21.246 5.563 1.00 0.00 H new ATOM 0 HA ILE A 57 2.538 -22.487 4.310 1.00 0.00 H new ATOM 0 HB ILE A 57 2.371 -20.351 6.481 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.224 -19.840 3.619 1.00 0.00 H new ATOM 0 HG13 ILE A 57 1.518 -19.818 4.018 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.770 -20.054 5.925 1.00 0.00 H new ATOM 0 HG22 ILE A 57 4.438 -21.721 6.451 1.00 0.00 H new ATOM 0 HG23 ILE A 57 4.653 -21.360 4.722 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.497 -17.547 4.231 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.947 -18.141 5.816 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.679 -18.163 5.411 1.00 0.00 H new ATOM 855 N THR A 58 2.924 -24.020 6.258 1.00 0.00 N ATOM 856 CA THR A 58 3.041 -24.993 7.381 1.00 0.00 C ATOM 857 C THR A 58 4.445 -24.904 7.984 1.00 0.00 C ATOM 858 O THR A 58 5.431 -25.182 7.331 1.00 0.00 O ATOM 859 CB THR A 58 2.800 -26.411 6.856 1.00 0.00 C ATOM 860 OG1 THR A 58 1.525 -26.471 6.231 1.00 0.00 O ATOM 861 CG2 THR A 58 2.849 -27.403 8.019 1.00 0.00 C ATOM 0 H THR A 58 3.503 -24.225 5.444 1.00 0.00 H new ATOM 0 HA THR A 58 2.300 -24.759 8.145 1.00 0.00 H new ATOM 0 HB THR A 58 3.573 -26.668 6.131 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.369 -27.377 5.892 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.677 -28.412 7.644 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.827 -27.355 8.497 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.077 -27.150 8.746 1.00 0.00 H new ATOM 869 N PHE A 59 4.543 -24.518 9.227 1.00 0.00 N ATOM 870 CA PHE A 59 5.882 -24.410 9.870 1.00 0.00 C ATOM 871 C PHE A 59 5.943 -25.346 11.079 1.00 0.00 C ATOM 872 O PHE A 59 4.973 -25.522 11.790 1.00 0.00 O ATOM 873 CB PHE A 59 6.113 -22.969 10.329 1.00 0.00 C ATOM 874 CG PHE A 59 5.113 -22.616 11.404 1.00 0.00 C ATOM 875 CD1 PHE A 59 3.857 -22.108 11.052 1.00 0.00 C ATOM 876 CD2 PHE A 59 5.443 -22.796 12.753 1.00 0.00 C ATOM 877 CE1 PHE A 59 2.930 -21.782 12.050 1.00 0.00 C ATOM 878 CE2 PHE A 59 4.516 -22.470 13.749 1.00 0.00 C ATOM 879 CZ PHE A 59 3.260 -21.962 13.398 1.00 0.00 C ATOM 0 H PHE A 59 3.753 -24.273 9.824 1.00 0.00 H new ATOM 0 HA PHE A 59 6.653 -24.691 9.153 1.00 0.00 H new ATOM 0 HB2 PHE A 59 7.128 -22.856 10.710 1.00 0.00 H new ATOM 0 HB3 PHE A 59 6.012 -22.287 9.485 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.603 -21.968 10.012 1.00 0.00 H new ATOM 0 HD2 PHE A 59 6.413 -23.186 13.024 1.00 0.00 H new ATOM 0 HE1 PHE A 59 1.960 -21.392 11.779 1.00 0.00 H new ATOM 0 HE2 PHE A 59 4.770 -22.610 14.789 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.546 -21.709 14.167 1.00 0.00 H new ATOM 974 N TYR A 67 0.440 -23.919 11.188 1.00 0.00 N ATOM 975 CA TYR A 67 0.342 -23.349 9.816 1.00 0.00 C ATOM 976 C TYR A 67 -0.530 -22.092 9.845 1.00 0.00 C ATOM 977 O TYR A 67 -1.497 -22.011 10.575 1.00 0.00 O ATOM 978 CB TYR A 67 -0.284 -24.383 8.876 1.00 0.00 C ATOM 979 CG TYR A 67 -1.758 -24.518 9.180 1.00 0.00 C ATOM 980 CD1 TYR A 67 -2.194 -25.433 10.147 1.00 0.00 C ATOM 981 CD2 TYR A 67 -2.689 -23.728 8.496 1.00 0.00 C ATOM 982 CE1 TYR A 67 -3.559 -25.556 10.429 1.00 0.00 C ATOM 983 CE2 TYR A 67 -4.054 -23.852 8.777 1.00 0.00 C ATOM 984 CZ TYR A 67 -4.489 -24.766 9.744 1.00 0.00 C ATOM 985 OH TYR A 67 -5.836 -24.888 10.022 1.00 0.00 O ATOM 0 HA TYR A 67 1.339 -23.091 9.459 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.143 -24.079 7.839 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.212 -25.346 8.996 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.476 -26.044 10.675 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.354 -23.022 7.751 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -3.895 -26.261 11.175 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -4.772 -23.243 8.248 1.00 0.00 H new ATOM 0 HH TYR A 67 -6.344 -24.267 9.459 1.00 0.00 H new ATOM 995 N VAL A 68 -0.200 -21.112 9.049 1.00 0.00 N ATOM 996 CA VAL A 68 -1.012 -19.864 9.026 1.00 0.00 C ATOM 997 C VAL A 68 -1.455 -19.577 7.589 1.00 0.00 C ATOM 998 O VAL A 68 -0.760 -19.889 6.641 1.00 0.00 O ATOM 999 CB VAL A 68 -0.174 -18.695 9.550 1.00 0.00 C ATOM 1000 CG1 VAL A 68 0.523 -19.110 10.846 1.00 0.00 C ATOM 1001 CG2 VAL A 68 0.876 -18.306 8.508 1.00 0.00 C ATOM 0 H VAL A 68 0.598 -21.122 8.413 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.890 -19.987 9.661 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.824 -17.842 9.742 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.120 -18.279 11.220 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.225 -19.383 11.590 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.172 -19.964 10.653 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.471 -17.474 8.884 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.527 -19.158 8.312 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.379 -18.009 7.584 1.00 0.00 H new ATOM 1011 N LYS A 69 -2.607 -18.990 7.418 1.00 0.00 N ATOM 1012 CA LYS A 69 -3.093 -18.690 6.042 1.00 0.00 C ATOM 1013 C LYS A 69 -2.906 -17.202 5.744 1.00 0.00 C ATOM 1014 O LYS A 69 -3.050 -16.362 6.610 1.00 0.00 O ATOM 1015 CB LYS A 69 -4.577 -19.048 5.937 1.00 0.00 C ATOM 1016 CG LYS A 69 -4.752 -20.558 6.119 1.00 0.00 C ATOM 1017 CD LYS A 69 -6.228 -20.925 5.942 1.00 0.00 C ATOM 1018 CE LYS A 69 -6.419 -22.417 6.225 1.00 0.00 C ATOM 1019 NZ LYS A 69 -7.451 -22.969 5.304 1.00 0.00 N ATOM 0 H LYS A 69 -3.233 -18.705 8.171 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.524 -19.277 5.321 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.146 -18.511 6.696 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.969 -18.740 4.968 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -4.143 -21.096 5.393 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.408 -20.858 7.109 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.845 -20.334 6.619 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -6.553 -20.691 4.928 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -5.476 -22.947 6.091 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.724 -22.565 7.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -7.581 -23.983 5.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -8.351 -22.470 5.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.142 -22.840 4.319 1.00 0.00 H new ATOM 1033 N HIS A 70 -2.590 -16.867 4.523 1.00 0.00 N ATOM 1034 CA HIS A 70 -2.397 -15.433 4.168 1.00 0.00 C ATOM 1035 C HIS A 70 -3.421 -15.032 3.104 1.00 0.00 C ATOM 1036 O HIS A 70 -3.749 -15.802 2.223 1.00 0.00 O ATOM 1037 CB HIS A 70 -0.984 -15.231 3.617 1.00 0.00 C ATOM 1038 CG HIS A 70 0.011 -15.338 4.741 1.00 0.00 C ATOM 1039 ND1 HIS A 70 0.565 -14.222 5.346 1.00 0.00 N ATOM 1040 CD2 HIS A 70 0.560 -16.422 5.378 1.00 0.00 C ATOM 1041 CE1 HIS A 70 1.407 -14.655 6.303 1.00 0.00 C ATOM 1042 NE2 HIS A 70 1.442 -15.990 6.364 1.00 0.00 N ATOM 0 H HIS A 70 -2.457 -17.525 3.755 1.00 0.00 H new ATOM 0 HA HIS A 70 -2.533 -14.815 5.056 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.769 -15.979 2.854 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.905 -14.255 3.138 1.00 0.00 H new ATOM 0 HD1 HIS A 70 0.370 -13.249 5.109 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.341 -17.454 5.149 1.00 0.00 H new ATOM 0 HE1 HIS A 70 1.984 -14.004 6.943 1.00 0.00 H new ATOM 1050 N LYS A 71 -3.931 -13.834 3.178 1.00 0.00 N ATOM 1051 CA LYS A 71 -4.935 -13.390 2.170 1.00 0.00 C ATOM 1052 C LYS A 71 -4.463 -12.089 1.515 1.00 0.00 C ATOM 1053 O LYS A 71 -3.945 -11.205 2.168 1.00 0.00 O ATOM 1054 CB LYS A 71 -6.280 -13.153 2.860 1.00 0.00 C ATOM 1055 CG LYS A 71 -7.347 -12.852 1.806 1.00 0.00 C ATOM 1056 CD LYS A 71 -8.661 -12.487 2.499 1.00 0.00 C ATOM 1057 CE LYS A 71 -9.757 -12.300 1.449 1.00 0.00 C ATOM 1058 NZ LYS A 71 -10.139 -10.860 1.381 1.00 0.00 N ATOM 0 H LYS A 71 -3.697 -13.144 3.892 1.00 0.00 H new ATOM 0 HA LYS A 71 -5.047 -14.161 1.407 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.563 -14.032 3.439 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.200 -12.321 3.560 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.021 -12.032 1.167 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.492 -13.719 1.162 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -8.945 -13.272 3.200 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.537 -11.572 3.078 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.405 -12.640 0.475 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.626 -12.906 1.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.884 -10.732 0.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.492 -10.550 2.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.308 -10.292 1.119 1.00 0.00 H new ATOM 1072 N ILE A 72 -4.640 -11.967 0.228 1.00 0.00 N ATOM 1073 CA ILE A 72 -4.205 -10.724 -0.469 1.00 0.00 C ATOM 1074 C ILE A 72 -5.420 -9.828 -0.715 1.00 0.00 C ATOM 1075 O ILE A 72 -6.431 -10.264 -1.230 1.00 0.00 O ATOM 1076 CB ILE A 72 -3.561 -11.091 -1.808 1.00 0.00 C ATOM 1077 CG1 ILE A 72 -2.390 -12.047 -1.567 1.00 0.00 C ATOM 1078 CG2 ILE A 72 -3.050 -9.822 -2.493 1.00 0.00 C ATOM 1079 CD1 ILE A 72 -1.826 -12.513 -2.910 1.00 0.00 C ATOM 0 H ILE A 72 -5.067 -12.674 -0.371 1.00 0.00 H new ATOM 0 HA ILE A 72 -3.481 -10.193 0.149 1.00 0.00 H new ATOM 0 HB ILE A 72 -4.300 -11.576 -2.445 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.613 -11.548 -0.988 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.722 -12.905 -0.983 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.591 -10.083 -3.447 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.883 -9.141 -2.665 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.311 -9.337 -1.856 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.992 -13.194 -2.738 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.605 -13.028 -3.473 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.479 -11.650 -3.478 1.00 0.00 H new ATOM 1091 N HIS A 73 -5.333 -8.579 -0.349 1.00 0.00 N ATOM 1092 CA HIS A 73 -6.485 -7.659 -0.560 1.00 0.00 C ATOM 1093 C HIS A 73 -6.379 -7.015 -1.943 1.00 0.00 C ATOM 1094 O HIS A 73 -7.343 -6.943 -2.680 1.00 0.00 O ATOM 1095 CB HIS A 73 -6.471 -6.570 0.514 1.00 0.00 C ATOM 1096 CG HIS A 73 -6.752 -7.186 1.856 1.00 0.00 C ATOM 1097 ND1 HIS A 73 -8.008 -7.664 2.201 1.00 0.00 N ATOM 1098 CD2 HIS A 73 -5.952 -7.412 2.949 1.00 0.00 C ATOM 1099 CE1 HIS A 73 -7.926 -8.148 3.455 1.00 0.00 C ATOM 1100 NE2 HIS A 73 -6.695 -8.019 3.956 1.00 0.00 N ATOM 0 H HIS A 73 -4.514 -8.156 0.087 1.00 0.00 H new ATOM 0 HA HIS A 73 -7.416 -8.222 -0.494 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.503 -6.070 0.527 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -7.219 -5.811 0.287 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -8.841 -7.651 1.613 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -4.905 -7.157 3.016 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -8.755 -8.587 3.990 1.00 0.00 H new ATOM 1108 N SER A 74 -5.217 -6.545 -2.304 1.00 0.00 N ATOM 1109 CA SER A 74 -5.054 -5.906 -3.640 1.00 0.00 C ATOM 1110 C SER A 74 -3.569 -5.662 -3.915 1.00 0.00 C ATOM 1111 O SER A 74 -2.816 -5.298 -3.032 1.00 0.00 O ATOM 1112 CB SER A 74 -5.803 -4.571 -3.661 1.00 0.00 C ATOM 1113 OG SER A 74 -5.714 -4.000 -4.958 1.00 0.00 O ATOM 0 H SER A 74 -4.373 -6.576 -1.732 1.00 0.00 H new ATOM 0 HA SER A 74 -5.460 -6.564 -4.408 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.848 -4.723 -3.390 1.00 0.00 H new ATOM 0 HB3 SER A 74 -5.378 -3.891 -2.923 1.00 0.00 H new ATOM 0 HG SER A 74 -6.195 -3.146 -4.973 1.00 0.00 H new ATOM 1119 N ILE A 75 -3.141 -5.857 -5.132 1.00 0.00 N ATOM 1120 CA ILE A 75 -1.707 -5.635 -5.464 1.00 0.00 C ATOM 1121 C ILE A 75 -1.600 -4.616 -6.600 1.00 0.00 C ATOM 1122 O ILE A 75 -2.416 -4.588 -7.500 1.00 0.00 O ATOM 1123 CB ILE A 75 -1.073 -6.957 -5.904 1.00 0.00 C ATOM 1124 CG1 ILE A 75 -1.641 -7.368 -7.264 1.00 0.00 C ATOM 1125 CG2 ILE A 75 -1.387 -8.042 -4.872 1.00 0.00 C ATOM 1126 CD1 ILE A 75 -0.892 -8.598 -7.779 1.00 0.00 C ATOM 0 H ILE A 75 -3.724 -6.161 -5.912 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.185 -5.257 -4.585 1.00 0.00 H new ATOM 0 HB ILE A 75 0.007 -6.833 -5.984 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.705 -7.588 -7.174 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.544 -6.546 -7.974 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.936 -8.983 -5.185 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.982 -7.750 -3.903 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -2.467 -8.166 -4.792 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.296 -8.891 -8.748 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.167 -8.362 -7.884 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.012 -9.419 -7.072 1.00 0.00 H new ATOM 1138 N ASP A 76 -0.600 -3.779 -6.568 1.00 0.00 N ATOM 1139 CA ASP A 76 -0.444 -2.763 -7.647 1.00 0.00 C ATOM 1140 C ASP A 76 0.971 -2.842 -8.222 1.00 0.00 C ATOM 1141 O ASP A 76 1.883 -2.198 -7.744 1.00 0.00 O ATOM 1142 CB ASP A 76 -0.684 -1.366 -7.071 1.00 0.00 C ATOM 1143 CG ASP A 76 -2.162 -1.212 -6.705 1.00 0.00 C ATOM 1144 OD1 ASP A 76 -2.941 -2.061 -7.105 1.00 0.00 O ATOM 1145 OD2 ASP A 76 -2.488 -0.248 -6.033 1.00 0.00 O ATOM 0 H ASP A 76 0.116 -3.755 -5.842 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.168 -2.959 -8.438 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.062 -1.213 -6.189 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.398 -0.607 -7.799 1.00 0.00 H new ATOM 1150 N LYS A 77 1.163 -3.628 -9.246 1.00 0.00 N ATOM 1151 CA LYS A 77 2.519 -3.746 -9.851 1.00 0.00 C ATOM 1152 C LYS A 77 2.937 -2.392 -10.427 1.00 0.00 C ATOM 1153 O LYS A 77 4.087 -2.005 -10.357 1.00 0.00 O ATOM 1154 CB LYS A 77 2.491 -4.790 -10.969 1.00 0.00 C ATOM 1155 CG LYS A 77 2.237 -6.174 -10.368 1.00 0.00 C ATOM 1156 CD LYS A 77 2.360 -7.235 -11.463 1.00 0.00 C ATOM 1157 CE LYS A 77 1.960 -8.600 -10.900 1.00 0.00 C ATOM 1158 NZ LYS A 77 2.383 -9.672 -11.845 1.00 0.00 N ATOM 0 H LYS A 77 0.439 -4.193 -9.689 1.00 0.00 H new ATOM 0 HA LYS A 77 3.233 -4.053 -9.087 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.711 -4.546 -11.690 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.437 -4.785 -11.510 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.954 -6.373 -9.571 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.244 -6.211 -9.920 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.721 -6.977 -12.307 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.383 -7.270 -11.837 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.426 -8.754 -9.927 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.882 -8.640 -10.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.111 -10.600 -11.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.919 -9.527 -12.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.415 -9.638 -11.969 1.00 0.00 H new ATOM 1172 N VAL A 78 2.013 -1.668 -10.995 1.00 0.00 N ATOM 1173 CA VAL A 78 2.356 -0.339 -11.575 1.00 0.00 C ATOM 1174 C VAL A 78 2.703 0.634 -10.447 1.00 0.00 C ATOM 1175 O VAL A 78 3.647 1.394 -10.536 1.00 0.00 O ATOM 1176 CB VAL A 78 1.161 0.198 -12.361 1.00 0.00 C ATOM 1177 CG1 VAL A 78 1.442 1.638 -12.795 1.00 0.00 C ATOM 1178 CG2 VAL A 78 0.931 -0.671 -13.599 1.00 0.00 C ATOM 0 H VAL A 78 1.034 -1.940 -11.083 1.00 0.00 H new ATOM 0 HA VAL A 78 3.212 -0.443 -12.242 1.00 0.00 H new ATOM 0 HB VAL A 78 0.272 0.174 -11.731 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.590 2.022 -13.356 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.606 2.258 -11.914 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.331 1.661 -13.425 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.078 -0.288 -14.159 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.820 -0.648 -14.230 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.731 -1.697 -13.291 1.00 0.00 H new ATOM 1188 N ASN A 79 1.946 0.619 -9.383 1.00 0.00 N ATOM 1189 CA ASN A 79 2.232 1.544 -8.250 1.00 0.00 C ATOM 1190 C ASN A 79 3.261 0.905 -7.315 1.00 0.00 C ATOM 1191 O ASN A 79 3.607 1.456 -6.289 1.00 0.00 O ATOM 1192 CB ASN A 79 0.940 1.815 -7.476 1.00 0.00 C ATOM 1193 CG ASN A 79 -0.114 2.385 -8.428 1.00 0.00 C ATOM 1194 OD1 ASN A 79 -1.267 1.785 -8.538 1.00 0.00 O flip ATOM 1195 ND2 ASN A 79 0.114 3.387 -9.076 1.00 0.00 N flip ATOM 0 H ASN A 79 1.142 0.006 -9.250 1.00 0.00 H new ATOM 0 HA ASN A 79 2.628 2.482 -8.638 1.00 0.00 H new ATOM 0 HB2 ASN A 79 0.575 0.894 -7.022 1.00 0.00 H new ATOM 0 HB3 ASN A 79 1.130 2.517 -6.664 1.00 0.00 H new ATOM 0 HD21 ASN A 79 1.016 3.856 -8.990 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.596 3.759 -9.706 1.00 0.00 H new ATOM 1202 N HIS A 80 3.755 -0.253 -7.658 1.00 0.00 N ATOM 1203 CA HIS A 80 4.761 -0.922 -6.787 1.00 0.00 C ATOM 1204 C HIS A 80 4.218 -1.017 -5.360 1.00 0.00 C ATOM 1205 O HIS A 80 4.910 -0.734 -4.402 1.00 0.00 O ATOM 1206 CB HIS A 80 6.057 -0.107 -6.787 1.00 0.00 C ATOM 1207 CG HIS A 80 6.521 0.095 -8.203 1.00 0.00 C ATOM 1208 ND1 HIS A 80 6.257 1.259 -8.907 1.00 0.00 N ATOM 1209 CD2 HIS A 80 7.233 -0.708 -9.059 1.00 0.00 C ATOM 1210 CE1 HIS A 80 6.803 1.124 -10.130 1.00 0.00 C ATOM 1211 NE2 HIS A 80 7.410 -0.057 -10.275 1.00 0.00 N ATOM 0 H HIS A 80 3.505 -0.765 -8.504 1.00 0.00 H new ATOM 0 HA HIS A 80 4.961 -1.924 -7.166 1.00 0.00 H new ATOM 0 HB2 HIS A 80 5.893 0.857 -6.306 1.00 0.00 H new ATOM 0 HB3 HIS A 80 6.825 -0.624 -6.212 1.00 0.00 H new ATOM 0 HD1 HIS A 80 5.743 2.070 -8.562 1.00 0.00 H new ATOM 0 HD2 HIS A 80 7.600 -1.696 -8.824 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.756 1.879 -10.901 1.00 0.00 H new ATOM 1219 N THR A 81 2.983 -1.412 -5.210 1.00 0.00 N ATOM 1220 CA THR A 81 2.398 -1.524 -3.845 1.00 0.00 C ATOM 1221 C THR A 81 1.809 -2.923 -3.656 1.00 0.00 C ATOM 1222 O THR A 81 1.201 -3.478 -4.549 1.00 0.00 O ATOM 1223 CB THR A 81 1.290 -0.480 -3.678 1.00 0.00 C ATOM 1224 OG1 THR A 81 1.811 0.809 -3.968 1.00 0.00 O ATOM 1225 CG2 THR A 81 0.769 -0.511 -2.240 1.00 0.00 C ATOM 0 H THR A 81 2.355 -1.662 -5.974 1.00 0.00 H new ATOM 0 HA THR A 81 3.176 -1.353 -3.101 1.00 0.00 H new ATOM 0 HB THR A 81 0.472 -0.704 -4.362 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.103 1.479 -3.864 1.00 0.00 H new ATOM 0 HG21 THR A 81 -0.019 0.232 -2.123 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.370 -1.501 -2.019 1.00 0.00 H new ATOM 0 HG23 THR A 81 1.585 -0.287 -1.553 1.00 0.00 H new ATOM 1233 N TYR A 82 1.986 -3.499 -2.498 1.00 0.00 N ATOM 1234 CA TYR A 82 1.436 -4.861 -2.252 1.00 0.00 C ATOM 1235 C TYR A 82 0.712 -4.880 -0.904 1.00 0.00 C ATOM 1236 O TYR A 82 1.267 -4.520 0.115 1.00 0.00 O ATOM 1237 CB TYR A 82 2.581 -5.878 -2.231 1.00 0.00 C ATOM 1238 CG TYR A 82 2.013 -7.273 -2.115 1.00 0.00 C ATOM 1239 CD1 TYR A 82 1.562 -7.943 -3.258 1.00 0.00 C ATOM 1240 CD2 TYR A 82 1.938 -7.895 -0.863 1.00 0.00 C ATOM 1241 CE1 TYR A 82 1.036 -9.235 -3.150 1.00 0.00 C ATOM 1242 CE2 TYR A 82 1.411 -9.187 -0.755 1.00 0.00 C ATOM 1243 CZ TYR A 82 0.960 -9.858 -1.899 1.00 0.00 C ATOM 1244 OH TYR A 82 0.442 -11.133 -1.792 1.00 0.00 O ATOM 0 H TYR A 82 2.488 -3.085 -1.712 1.00 0.00 H new ATOM 0 HA TYR A 82 0.735 -5.120 -3.046 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.176 -5.791 -3.140 1.00 0.00 H new ATOM 0 HB3 TYR A 82 3.247 -5.674 -1.393 1.00 0.00 H new ATOM 0 HD1 TYR A 82 1.620 -7.463 -4.224 1.00 0.00 H new ATOM 0 HD2 TYR A 82 2.287 -7.378 0.019 1.00 0.00 H new ATOM 0 HE1 TYR A 82 0.688 -9.752 -4.032 1.00 0.00 H new ATOM 0 HE2 TYR A 82 1.352 -9.667 0.211 1.00 0.00 H new ATOM 0 HH TYR A 82 0.676 -11.509 -0.918 1.00 0.00 H new ATOM 1254 N SER A 83 -0.525 -5.294 -0.889 1.00 0.00 N ATOM 1255 CA SER A 83 -1.283 -5.333 0.394 1.00 0.00 C ATOM 1256 C SER A 83 -1.745 -6.763 0.676 1.00 0.00 C ATOM 1257 O SER A 83 -2.366 -7.401 -0.151 1.00 0.00 O ATOM 1258 CB SER A 83 -2.503 -4.414 0.291 1.00 0.00 C ATOM 1259 OG SER A 83 -3.143 -4.335 1.557 1.00 0.00 O ATOM 0 H SER A 83 -1.044 -5.607 -1.709 1.00 0.00 H new ATOM 0 HA SER A 83 -0.638 -4.996 1.206 1.00 0.00 H new ATOM 0 HB2 SER A 83 -2.197 -3.420 -0.037 1.00 0.00 H new ATOM 0 HB3 SER A 83 -3.198 -4.796 -0.457 1.00 0.00 H new ATOM 0 HG SER A 83 -3.923 -3.746 1.493 1.00 0.00 H new ATOM 1265 N TYR A 84 -1.448 -7.273 1.841 1.00 0.00 N ATOM 1266 CA TYR A 84 -1.872 -8.661 2.180 1.00 0.00 C ATOM 1267 C TYR A 84 -2.181 -8.744 3.677 1.00 0.00 C ATOM 1268 O TYR A 84 -1.922 -7.823 4.425 1.00 0.00 O ATOM 1269 CB TYR A 84 -0.747 -9.638 1.833 1.00 0.00 C ATOM 1270 CG TYR A 84 0.395 -9.458 2.804 1.00 0.00 C ATOM 1271 CD1 TYR A 84 1.339 -8.447 2.594 1.00 0.00 C ATOM 1272 CD2 TYR A 84 0.509 -10.305 3.913 1.00 0.00 C ATOM 1273 CE1 TYR A 84 2.399 -8.281 3.495 1.00 0.00 C ATOM 1274 CE2 TYR A 84 1.568 -10.139 4.814 1.00 0.00 C ATOM 1275 CZ TYR A 84 2.513 -9.126 4.604 1.00 0.00 C ATOM 1276 OH TYR A 84 3.556 -8.961 5.492 1.00 0.00 O ATOM 0 H TYR A 84 -0.930 -6.787 2.573 1.00 0.00 H new ATOM 0 HA TYR A 84 -2.764 -8.921 1.609 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -1.116 -10.663 1.875 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.402 -9.465 0.814 1.00 0.00 H new ATOM 0 HD1 TYR A 84 1.251 -7.795 1.738 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -0.219 -11.086 4.073 1.00 0.00 H new ATOM 0 HE1 TYR A 84 3.128 -7.501 3.333 1.00 0.00 H new ATOM 0 HE2 TYR A 84 1.656 -10.791 5.670 1.00 0.00 H new ATOM 0 HH TYR A 84 3.204 -8.678 6.361 1.00 0.00 H new ATOM 1286 N SER A 85 -2.736 -9.838 4.120 1.00 0.00 N ATOM 1287 CA SER A 85 -3.061 -9.971 5.567 1.00 0.00 C ATOM 1288 C SER A 85 -3.014 -11.446 5.973 1.00 0.00 C ATOM 1289 O SER A 85 -3.261 -12.327 5.175 1.00 0.00 O ATOM 1290 CB SER A 85 -4.464 -9.417 5.826 1.00 0.00 C ATOM 1291 OG SER A 85 -5.401 -10.108 5.015 1.00 0.00 O ATOM 0 H SER A 85 -2.978 -10.644 3.544 1.00 0.00 H new ATOM 0 HA SER A 85 -2.332 -9.412 6.154 1.00 0.00 H new ATOM 0 HB2 SER A 85 -4.723 -9.531 6.878 1.00 0.00 H new ATOM 0 HB3 SER A 85 -4.492 -8.350 5.605 1.00 0.00 H new ATOM 0 HG SER A 85 -6.181 -9.536 4.857 1.00 0.00 H new ATOM 1297 N LEU A 86 -2.704 -11.719 7.211 1.00 0.00 N ATOM 1298 CA LEU A 86 -2.647 -13.135 7.669 1.00 0.00 C ATOM 1299 C LEU A 86 -4.032 -13.562 8.157 1.00 0.00 C ATOM 1300 O LEU A 86 -4.492 -13.137 9.197 1.00 0.00 O ATOM 1301 CB LEU A 86 -1.639 -13.263 8.813 1.00 0.00 C ATOM 1302 CG LEU A 86 -1.431 -14.742 9.147 1.00 0.00 C ATOM 1303 CD1 LEU A 86 -0.749 -15.439 7.968 1.00 0.00 C ATOM 1304 CD2 LEU A 86 -0.549 -14.866 10.391 1.00 0.00 C ATOM 0 H LEU A 86 -2.488 -11.023 7.924 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.337 -13.775 6.843 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.691 -12.806 8.529 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.000 -12.728 9.691 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.397 -15.210 9.338 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -0.600 -16.493 8.205 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.377 -15.351 7.081 1.00 0.00 H new ATOM 0 HD13 LEU A 86 0.216 -14.970 7.777 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.401 -15.919 10.629 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.417 -14.398 10.200 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.033 -14.369 11.232 1.00 0.00 H new ATOM 1316 N ILE A 87 -4.704 -14.395 7.410 1.00 0.00 N ATOM 1317 CA ILE A 87 -6.061 -14.842 7.829 1.00 0.00 C ATOM 1318 C ILE A 87 -5.979 -15.531 9.192 1.00 0.00 C ATOM 1319 O ILE A 87 -6.540 -15.070 10.166 1.00 0.00 O ATOM 1320 CB ILE A 87 -6.617 -15.824 6.796 1.00 0.00 C ATOM 1321 CG1 ILE A 87 -6.888 -15.086 5.484 1.00 0.00 C ATOM 1322 CG2 ILE A 87 -7.921 -16.430 7.319 1.00 0.00 C ATOM 1323 CD1 ILE A 87 -7.168 -16.103 4.376 1.00 0.00 C ATOM 0 H ILE A 87 -4.371 -14.785 6.528 1.00 0.00 H new ATOM 0 HA ILE A 87 -6.719 -13.976 7.901 1.00 0.00 H new ATOM 0 HB ILE A 87 -5.891 -16.618 6.622 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.739 -14.415 5.601 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -6.030 -14.469 5.218 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -8.318 -17.130 6.583 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -7.728 -16.957 8.254 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -8.647 -15.636 7.493 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.361 -15.578 3.441 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -6.303 -16.755 4.254 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.039 -16.701 4.643 1.00 0.00 H new ATOM 1335 N GLU A 88 -5.287 -16.634 9.269 1.00 0.00 N ATOM 1336 CA GLU A 88 -5.175 -17.350 10.571 1.00 0.00 C ATOM 1337 C GLU A 88 -3.744 -17.857 10.760 1.00 0.00 C ATOM 1338 O GLU A 88 -2.938 -17.823 9.851 1.00 0.00 O ATOM 1339 CB GLU A 88 -6.142 -18.537 10.584 1.00 0.00 C ATOM 1340 CG GLU A 88 -7.580 -18.022 10.514 1.00 0.00 C ATOM 1341 CD GLU A 88 -7.903 -17.232 11.784 1.00 0.00 C ATOM 1342 OE1 GLU A 88 -7.180 -17.386 12.753 1.00 0.00 O ATOM 1343 OE2 GLU A 88 -8.868 -16.486 11.764 1.00 0.00 O ATOM 0 H GLU A 88 -4.795 -17.070 8.489 1.00 0.00 H new ATOM 0 HA GLU A 88 -5.425 -16.666 11.382 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.938 -19.195 9.739 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -5.999 -19.127 11.489 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -7.708 -17.388 9.637 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -8.272 -18.858 10.407 1.00 0.00 H new ATOM 1350 N GLY A 89 -3.424 -18.325 11.935 1.00 0.00 N ATOM 1351 CA GLY A 89 -2.047 -18.834 12.185 1.00 0.00 C ATOM 1352 C GLY A 89 -1.943 -19.331 13.629 1.00 0.00 C ATOM 1353 O GLY A 89 -2.411 -18.692 14.550 1.00 0.00 O ATOM 0 H GLY A 89 -4.057 -18.377 12.733 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.815 -19.643 11.493 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.317 -18.044 12.007 1.00 0.00 H new ATOM 1357 N ASP A 90 -1.338 -20.469 13.833 1.00 0.00 N ATOM 1358 CA ASP A 90 -1.208 -21.007 15.217 1.00 0.00 C ATOM 1359 C ASP A 90 -0.643 -19.921 16.136 1.00 0.00 C ATOM 1360 O ASP A 90 -1.077 -19.758 17.260 1.00 0.00 O ATOM 1361 CB ASP A 90 -0.266 -22.212 15.208 1.00 0.00 C ATOM 1362 CG ASP A 90 -0.983 -23.415 14.591 1.00 0.00 C ATOM 1363 OD1 ASP A 90 -2.126 -23.257 14.193 1.00 0.00 O ATOM 1364 OD2 ASP A 90 -0.379 -24.473 14.526 1.00 0.00 O ATOM 0 H ASP A 90 -0.928 -21.050 13.101 1.00 0.00 H new ATOM 0 HA ASP A 90 -2.188 -21.315 15.582 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.634 -21.980 14.638 1.00 0.00 H new ATOM 0 HB3 ASP A 90 0.052 -22.446 16.224 1.00 0.00 H new ATOM 1369 N ALA A 91 0.321 -19.177 15.669 1.00 0.00 N ATOM 1370 CA ALA A 91 0.913 -18.104 16.517 1.00 0.00 C ATOM 1371 C ALA A 91 -0.155 -17.057 16.841 1.00 0.00 C ATOM 1372 O ALA A 91 -0.072 -16.355 17.829 1.00 0.00 O ATOM 1373 CB ALA A 91 2.065 -17.437 15.764 1.00 0.00 C ATOM 0 H ALA A 91 0.725 -19.265 14.736 1.00 0.00 H new ATOM 0 HA ALA A 91 1.286 -18.541 17.444 1.00 0.00 H new ATOM 0 HB1 ALA A 91 2.499 -16.652 16.384 1.00 0.00 H new ATOM 0 HB2 ALA A 91 2.828 -18.181 15.534 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.691 -17.002 14.837 1.00 0.00 H new ATOM 1379 N LEU A 92 -1.160 -16.944 16.014 1.00 0.00 N ATOM 1380 CA LEU A 92 -2.229 -15.942 16.276 1.00 0.00 C ATOM 1381 C LEU A 92 -3.183 -16.477 17.346 1.00 0.00 C ATOM 1382 O LEU A 92 -3.723 -15.733 18.140 1.00 0.00 O ATOM 1383 CB LEU A 92 -3.010 -15.677 14.987 1.00 0.00 C ATOM 1384 CG LEU A 92 -2.143 -14.865 14.024 1.00 0.00 C ATOM 1385 CD1 LEU A 92 -0.945 -15.708 13.578 1.00 0.00 C ATOM 1386 CD2 LEU A 92 -2.973 -14.470 12.802 1.00 0.00 C ATOM 0 H LEU A 92 -1.285 -17.502 15.170 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.775 -15.014 16.624 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -3.300 -16.620 14.525 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.929 -15.135 15.211 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.786 -13.966 14.527 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.328 -15.128 12.892 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.353 -15.989 14.449 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.300 -16.608 13.075 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.356 -13.891 12.115 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.331 -15.369 12.299 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.825 -13.868 13.120 1.00 0.00 H new ATOM 1398 N SER A 93 -3.396 -17.764 17.373 1.00 0.00 N ATOM 1399 CA SER A 93 -4.315 -18.343 18.392 1.00 0.00 C ATOM 1400 C SER A 93 -5.718 -17.764 18.195 1.00 0.00 C ATOM 1401 O SER A 93 -5.942 -16.937 17.334 1.00 0.00 O ATOM 1402 CB SER A 93 -3.812 -17.994 19.794 1.00 0.00 C ATOM 1403 OG SER A 93 -2.803 -18.916 20.177 1.00 0.00 O ATOM 0 H SER A 93 -2.974 -18.438 16.735 1.00 0.00 H new ATOM 0 HA SER A 93 -4.347 -19.427 18.279 1.00 0.00 H new ATOM 0 HB2 SER A 93 -3.416 -16.979 19.808 1.00 0.00 H new ATOM 0 HB3 SER A 93 -4.637 -18.024 20.506 1.00 0.00 H new ATOM 0 HG SER A 93 -2.479 -18.692 21.074 1.00 0.00 H new ATOM 1409 N GLU A 94 -6.663 -18.193 18.985 1.00 0.00 N ATOM 1410 CA GLU A 94 -8.049 -17.667 18.840 1.00 0.00 C ATOM 1411 C GLU A 94 -8.145 -16.289 19.497 1.00 0.00 C ATOM 1412 O GLU A 94 -9.095 -15.559 19.292 1.00 0.00 O ATOM 1413 CB GLU A 94 -9.030 -18.624 19.521 1.00 0.00 C ATOM 1414 CG GLU A 94 -8.998 -19.978 18.810 1.00 0.00 C ATOM 1415 CD GLU A 94 -9.990 -20.929 19.482 1.00 0.00 C ATOM 1416 OE1 GLU A 94 -10.494 -20.581 20.537 1.00 0.00 O ATOM 1417 OE2 GLU A 94 -10.230 -21.991 18.930 1.00 0.00 O ATOM 0 H GLU A 94 -6.535 -18.884 19.724 1.00 0.00 H new ATOM 0 HA GLU A 94 -8.296 -17.582 17.782 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -8.765 -18.746 20.571 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -10.038 -18.210 19.492 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -9.252 -19.854 17.757 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -7.993 -20.397 18.848 1.00 0.00 H new ATOM 1424 N ASN A 95 -7.171 -15.926 20.285 1.00 0.00 N ATOM 1425 CA ASN A 95 -7.213 -14.594 20.952 1.00 0.00 C ATOM 1426 C ASN A 95 -6.813 -13.507 19.955 1.00 0.00 C ATOM 1427 O ASN A 95 -7.237 -12.372 20.056 1.00 0.00 O ATOM 1428 CB ASN A 95 -6.242 -14.584 22.135 1.00 0.00 C ATOM 1429 CG ASN A 95 -6.453 -15.845 22.977 1.00 0.00 C ATOM 1430 OD1 ASN A 95 -5.548 -16.639 23.139 1.00 0.00 O ATOM 1431 ND2 ASN A 95 -7.618 -16.061 23.523 1.00 0.00 N ATOM 0 H ASN A 95 -6.349 -16.493 20.496 1.00 0.00 H new ATOM 0 HA ASN A 95 -8.224 -14.401 21.310 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -5.214 -14.541 21.775 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -6.404 -13.695 22.745 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -7.770 -16.897 24.087 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -8.377 -15.393 23.386 1.00 0.00 H new ATOM 1438 N ILE A 96 -5.998 -13.839 18.991 1.00 0.00 N ATOM 1439 CA ILE A 96 -5.575 -12.817 17.992 1.00 0.00 C ATOM 1440 C ILE A 96 -6.290 -13.066 16.664 1.00 0.00 C ATOM 1441 O ILE A 96 -6.237 -14.146 16.110 1.00 0.00 O ATOM 1442 CB ILE A 96 -4.063 -12.906 17.776 1.00 0.00 C ATOM 1443 CG1 ILE A 96 -3.348 -12.864 19.129 1.00 0.00 C ATOM 1444 CG2 ILE A 96 -3.602 -11.726 16.919 1.00 0.00 C ATOM 1445 CD1 ILE A 96 -1.836 -12.937 18.909 1.00 0.00 C ATOM 0 H ILE A 96 -5.608 -14.771 18.852 1.00 0.00 H new ATOM 0 HA ILE A 96 -5.834 -11.825 18.363 1.00 0.00 H new ATOM 0 HB ILE A 96 -3.823 -13.841 17.269 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -3.605 -11.947 19.660 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -3.676 -13.696 19.752 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -2.525 -11.788 16.764 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -4.110 -11.756 15.955 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.843 -10.792 17.426 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.326 -12.907 19.872 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -1.587 -13.866 18.396 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -1.515 -12.090 18.302 1.00 0.00 H new ATOM 1457 N GLU A 97 -6.955 -12.070 16.147 1.00 0.00 N ATOM 1458 CA GLU A 97 -7.669 -12.238 14.851 1.00 0.00 C ATOM 1459 C GLU A 97 -6.668 -12.093 13.704 1.00 0.00 C ATOM 1460 O GLU A 97 -5.490 -11.888 13.920 1.00 0.00 O ATOM 1461 CB GLU A 97 -8.756 -11.170 14.721 1.00 0.00 C ATOM 1462 CG GLU A 97 -9.765 -11.328 15.861 1.00 0.00 C ATOM 1463 CD GLU A 97 -10.958 -10.401 15.617 1.00 0.00 C ATOM 1464 OE1 GLU A 97 -10.866 -9.571 14.727 1.00 0.00 O ATOM 1465 OE2 GLU A 97 -11.942 -10.535 16.326 1.00 0.00 O ATOM 0 H GLU A 97 -7.035 -11.144 16.568 1.00 0.00 H new ATOM 0 HA GLU A 97 -8.130 -13.225 14.813 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -8.310 -10.176 14.751 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -9.260 -11.264 13.759 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -10.101 -12.363 15.923 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -9.294 -11.089 16.814 1.00 0.00 H new ATOM 1472 N LYS A 98 -7.123 -12.200 12.486 1.00 0.00 N ATOM 1473 CA LYS A 98 -6.188 -12.071 11.334 1.00 0.00 C ATOM 1474 C LYS A 98 -5.472 -10.719 11.409 1.00 0.00 C ATOM 1475 O LYS A 98 -5.926 -9.800 12.062 1.00 0.00 O ATOM 1476 CB LYS A 98 -6.977 -12.158 10.025 1.00 0.00 C ATOM 1477 CG LYS A 98 -8.007 -11.027 9.973 1.00 0.00 C ATOM 1478 CD LYS A 98 -8.828 -11.143 8.686 1.00 0.00 C ATOM 1479 CE LYS A 98 -9.860 -12.261 8.837 1.00 0.00 C ATOM 1480 NZ LYS A 98 -10.651 -12.382 7.579 1.00 0.00 N ATOM 0 H LYS A 98 -8.098 -12.371 12.240 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.453 -12.875 11.369 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -6.299 -12.086 9.174 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -7.478 -13.124 9.953 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.663 -11.078 10.842 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.504 -10.061 10.010 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -9.329 -10.198 8.475 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.172 -11.351 7.841 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -9.360 -13.204 9.057 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -10.522 -12.048 9.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -11.353 -13.143 7.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -11.139 -11.484 7.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -10.013 -12.604 6.788 1.00 0.00 H new ATOM 1494 N ILE A 99 -4.351 -10.597 10.752 1.00 0.00 N ATOM 1495 CA ILE A 99 -3.600 -9.310 10.792 1.00 0.00 C ATOM 1496 C ILE A 99 -3.514 -8.722 9.382 1.00 0.00 C ATOM 1497 O ILE A 99 -3.293 -9.426 8.417 1.00 0.00 O ATOM 1498 CB ILE A 99 -2.188 -9.565 11.325 1.00 0.00 C ATOM 1499 CG1 ILE A 99 -2.273 -10.213 12.709 1.00 0.00 C ATOM 1500 CG2 ILE A 99 -1.432 -8.239 11.429 1.00 0.00 C ATOM 1501 CD1 ILE A 99 -0.897 -10.755 13.104 1.00 0.00 C ATOM 0 H ILE A 99 -3.923 -11.332 10.190 1.00 0.00 H new ATOM 0 HA ILE A 99 -4.117 -8.607 11.445 1.00 0.00 H new ATOM 0 HB ILE A 99 -1.659 -10.231 10.643 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -2.613 -9.483 13.444 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -3.005 -11.021 12.700 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -0.427 -8.422 11.809 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -1.369 -7.778 10.443 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -1.961 -7.571 12.109 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -0.957 -11.217 14.090 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -0.575 -11.498 12.374 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -0.177 -9.937 13.130 1.00 0.00 H new ATOM 1513 N ASP A 100 -3.687 -7.435 9.255 1.00 0.00 N ATOM 1514 CA ASP A 100 -3.613 -6.801 7.909 1.00 0.00 C ATOM 1515 C ASP A 100 -2.199 -6.263 7.680 1.00 0.00 C ATOM 1516 O ASP A 100 -1.679 -5.502 8.470 1.00 0.00 O ATOM 1517 CB ASP A 100 -4.617 -5.649 7.830 1.00 0.00 C ATOM 1518 CG ASP A 100 -4.670 -5.117 6.397 1.00 0.00 C ATOM 1519 OD1 ASP A 100 -4.003 -5.687 5.548 1.00 0.00 O ATOM 1520 OD2 ASP A 100 -5.376 -4.148 6.172 1.00 0.00 O ATOM 0 H ASP A 100 -3.877 -6.795 10.026 1.00 0.00 H new ATOM 0 HA ASP A 100 -3.851 -7.540 7.144 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -5.605 -5.991 8.139 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -4.327 -4.852 8.515 1.00 0.00 H new ATOM 1525 N TYR A 101 -1.573 -6.654 6.604 1.00 0.00 N ATOM 1526 CA TYR A 101 -0.193 -6.166 6.330 1.00 0.00 C ATOM 1527 C TYR A 101 -0.183 -5.352 5.034 1.00 0.00 C ATOM 1528 O TYR A 101 -0.745 -5.752 4.033 1.00 0.00 O ATOM 1529 CB TYR A 101 0.750 -7.361 6.185 1.00 0.00 C ATOM 1530 CG TYR A 101 0.772 -8.143 7.476 1.00 0.00 C ATOM 1531 CD1 TYR A 101 1.490 -7.659 8.576 1.00 0.00 C ATOM 1532 CD2 TYR A 101 0.074 -9.353 7.574 1.00 0.00 C ATOM 1533 CE1 TYR A 101 1.510 -8.384 9.774 1.00 0.00 C ATOM 1534 CE2 TYR A 101 0.092 -10.077 8.771 1.00 0.00 C ATOM 1535 CZ TYR A 101 0.810 -9.594 9.871 1.00 0.00 C ATOM 1536 OH TYR A 101 0.829 -10.308 11.051 1.00 0.00 O ATOM 0 H TYR A 101 -1.957 -7.289 5.904 1.00 0.00 H new ATOM 0 HA TYR A 101 0.138 -5.537 7.156 1.00 0.00 H new ATOM 0 HB2 TYR A 101 0.421 -8.000 5.366 1.00 0.00 H new ATOM 0 HB3 TYR A 101 1.755 -7.018 5.938 1.00 0.00 H new ATOM 0 HD1 TYR A 101 2.029 -6.726 8.501 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -0.479 -9.728 6.725 1.00 0.00 H new ATOM 0 HE1 TYR A 101 2.064 -8.011 10.622 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -0.448 -11.009 8.846 1.00 0.00 H new ATOM 0 HH TYR A 101 1.550 -9.973 11.624 1.00 0.00 H new ATOM 1546 N GLU A 102 0.453 -4.213 5.045 1.00 0.00 N ATOM 1547 CA GLU A 102 0.503 -3.373 3.815 1.00 0.00 C ATOM 1548 C GLU A 102 1.963 -3.100 3.448 1.00 0.00 C ATOM 1549 O GLU A 102 2.785 -2.821 4.298 1.00 0.00 O ATOM 1550 CB GLU A 102 -0.216 -2.047 4.073 1.00 0.00 C ATOM 1551 CG GLU A 102 -1.684 -2.321 4.405 1.00 0.00 C ATOM 1552 CD GLU A 102 -2.436 -0.993 4.519 1.00 0.00 C ATOM 1553 OE1 GLU A 102 -1.786 0.039 4.483 1.00 0.00 O ATOM 1554 OE2 GLU A 102 -3.650 -1.031 4.641 1.00 0.00 O ATOM 0 H GLU A 102 0.941 -3.827 5.854 1.00 0.00 H new ATOM 0 HA GLU A 102 0.012 -3.897 2.995 1.00 0.00 H new ATOM 0 HB2 GLU A 102 0.261 -1.516 4.896 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -0.144 -1.405 3.195 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -2.134 -2.941 3.630 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -1.759 -2.876 5.340 1.00 0.00 H new ATOM 1561 N THR A 103 2.294 -3.179 2.188 1.00 0.00 N ATOM 1562 CA THR A 103 3.702 -2.925 1.770 1.00 0.00 C ATOM 1563 C THR A 103 3.724 -1.884 0.649 1.00 0.00 C ATOM 1564 O THR A 103 2.930 -1.929 -0.269 1.00 0.00 O ATOM 1565 CB THR A 103 4.328 -4.227 1.268 1.00 0.00 C ATOM 1566 OG1 THR A 103 4.164 -5.241 2.250 1.00 0.00 O ATOM 1567 CG2 THR A 103 5.818 -4.009 1.001 1.00 0.00 C ATOM 0 H THR A 103 1.651 -3.408 1.430 1.00 0.00 H new ATOM 0 HA THR A 103 4.271 -2.552 2.622 1.00 0.00 H new ATOM 0 HB THR A 103 3.837 -4.533 0.345 1.00 0.00 H new ATOM 0 HG1 THR A 103 4.564 -6.076 1.928 1.00 0.00 H new ATOM 0 HG21 THR A 103 6.263 -4.937 0.643 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.943 -3.232 0.246 1.00 0.00 H new ATOM 0 HG23 THR A 103 6.312 -3.702 1.923 1.00 0.00 H new ATOM 1575 N LYS A 104 4.629 -0.947 0.717 1.00 0.00 N ATOM 1576 CA LYS A 104 4.705 0.096 -0.346 1.00 0.00 C ATOM 1577 C LYS A 104 6.172 0.385 -0.671 1.00 0.00 C ATOM 1578 O LYS A 104 6.961 0.697 0.200 1.00 0.00 O ATOM 1579 CB LYS A 104 4.028 1.377 0.147 1.00 0.00 C ATOM 1580 CG LYS A 104 3.996 2.403 -0.987 1.00 0.00 C ATOM 1581 CD LYS A 104 3.377 3.707 -0.479 1.00 0.00 C ATOM 1582 CE LYS A 104 3.220 4.686 -1.645 1.00 0.00 C ATOM 1583 NZ LYS A 104 2.794 6.015 -1.124 1.00 0.00 N ATOM 0 H LYS A 104 5.319 -0.858 1.462 1.00 0.00 H new ATOM 0 HA LYS A 104 4.198 -0.260 -1.243 1.00 0.00 H new ATOM 0 HB2 LYS A 104 3.015 1.159 0.484 1.00 0.00 H new ATOM 0 HB3 LYS A 104 4.569 1.781 1.003 1.00 0.00 H new ATOM 0 HG2 LYS A 104 5.006 2.586 -1.354 1.00 0.00 H new ATOM 0 HG3 LYS A 104 3.417 2.016 -1.826 1.00 0.00 H new ATOM 0 HD2 LYS A 104 2.407 3.508 -0.024 1.00 0.00 H new ATOM 0 HD3 LYS A 104 4.008 4.144 0.295 1.00 0.00 H new ATOM 0 HE2 LYS A 104 4.163 4.780 -2.184 1.00 0.00 H new ATOM 0 HE3 LYS A 104 2.483 4.308 -2.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 2.687 6.680 -1.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 1.885 5.918 -0.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 3.512 6.375 -0.464 1.00 0.00 H new ATOM 1597 N LEU A 105 6.545 0.283 -1.917 1.00 0.00 N ATOM 1598 CA LEU A 105 7.961 0.551 -2.295 1.00 0.00 C ATOM 1599 C LEU A 105 8.078 1.962 -2.874 1.00 0.00 C ATOM 1600 O LEU A 105 7.330 2.348 -3.751 1.00 0.00 O ATOM 1601 CB LEU A 105 8.408 -0.468 -3.346 1.00 0.00 C ATOM 1602 CG LEU A 105 8.374 -1.874 -2.744 1.00 0.00 C ATOM 1603 CD1 LEU A 105 9.132 -1.879 -1.414 1.00 0.00 C ATOM 1604 CD2 LEU A 105 6.922 -2.292 -2.506 1.00 0.00 C ATOM 0 H LEU A 105 5.931 0.026 -2.689 1.00 0.00 H new ATOM 0 HA LEU A 105 8.594 0.467 -1.412 1.00 0.00 H new ATOM 0 HB2 LEU A 105 7.754 -0.418 -4.217 1.00 0.00 H new ATOM 0 HB3 LEU A 105 9.415 -0.233 -3.690 1.00 0.00 H new ATOM 0 HG LEU A 105 8.845 -2.575 -3.433 1.00 0.00 H new ATOM 0 HD11 LEU A 105 9.108 -2.881 -0.985 1.00 0.00 H new ATOM 0 HD12 LEU A 105 10.167 -1.582 -1.584 1.00 0.00 H new ATOM 0 HD13 LEU A 105 8.662 -1.178 -0.725 1.00 0.00 H new ATOM 0 HD21 LEU A 105 6.897 -3.294 -2.077 1.00 0.00 H new ATOM 0 HD22 LEU A 105 6.450 -1.591 -1.818 1.00 0.00 H new ATOM 0 HD23 LEU A 105 6.383 -2.290 -3.453 1.00 0.00 H new ATOM 1616 N VAL A 106 9.011 2.736 -2.390 1.00 0.00 N ATOM 1617 CA VAL A 106 9.175 4.122 -2.913 1.00 0.00 C ATOM 1618 C VAL A 106 10.650 4.376 -3.230 1.00 0.00 C ATOM 1619 O VAL A 106 11.531 3.954 -2.508 1.00 0.00 O ATOM 1620 CB VAL A 106 8.699 5.125 -1.860 1.00 0.00 C ATOM 1621 CG1 VAL A 106 8.777 6.542 -2.432 1.00 0.00 C ATOM 1622 CG2 VAL A 106 7.252 4.812 -1.473 1.00 0.00 C ATOM 0 H VAL A 106 9.666 2.469 -1.656 1.00 0.00 H new ATOM 0 HA VAL A 106 8.583 4.240 -3.820 1.00 0.00 H new ATOM 0 HB VAL A 106 9.335 5.053 -0.978 1.00 0.00 H new ATOM 0 HG11 VAL A 106 8.438 7.256 -1.682 1.00 0.00 H new ATOM 0 HG12 VAL A 106 9.807 6.767 -2.708 1.00 0.00 H new ATOM 0 HG13 VAL A 106 8.141 6.614 -3.315 1.00 0.00 H new ATOM 0 HG21 VAL A 106 6.913 5.527 -0.723 1.00 0.00 H new ATOM 0 HG22 VAL A 106 6.616 4.883 -2.355 1.00 0.00 H new ATOM 0 HG23 VAL A 106 7.195 3.803 -1.065 1.00 0.00 H new ATOM 1632 N SER A 107 10.927 5.061 -4.306 1.00 0.00 N ATOM 1633 CA SER A 107 12.345 5.339 -4.667 1.00 0.00 C ATOM 1634 C SER A 107 12.618 6.839 -4.550 1.00 0.00 C ATOM 1635 O SER A 107 11.747 7.658 -4.769 1.00 0.00 O ATOM 1636 CB SER A 107 12.603 4.883 -6.105 1.00 0.00 C ATOM 1637 OG SER A 107 11.826 5.667 -6.998 1.00 0.00 O ATOM 0 H SER A 107 10.233 5.440 -4.950 1.00 0.00 H new ATOM 0 HA SER A 107 13.005 4.797 -3.990 1.00 0.00 H new ATOM 0 HB2 SER A 107 13.662 4.982 -6.345 1.00 0.00 H new ATOM 0 HB3 SER A 107 12.349 3.829 -6.214 1.00 0.00 H new ATOM 0 HG SER A 107 11.993 5.376 -7.919 1.00 0.00 H new ATOM 1643 N ALA A 108 13.822 7.207 -4.204 1.00 0.00 N ATOM 1644 CA ALA A 108 14.149 8.655 -4.073 1.00 0.00 C ATOM 1645 C ALA A 108 15.065 9.079 -5.223 1.00 0.00 C ATOM 1646 O ALA A 108 15.643 8.254 -5.904 1.00 0.00 O ATOM 1647 CB ALA A 108 14.860 8.898 -2.739 1.00 0.00 C ATOM 0 H ALA A 108 14.592 6.568 -4.007 1.00 0.00 H new ATOM 0 HA ALA A 108 13.229 9.239 -4.108 1.00 0.00 H new ATOM 0 HB1 ALA A 108 15.100 9.957 -2.642 1.00 0.00 H new ATOM 0 HB2 ALA A 108 14.208 8.597 -1.919 1.00 0.00 H new ATOM 0 HB3 ALA A 108 15.779 8.313 -2.705 1.00 0.00 H new ATOM 1653 N PRO A 109 15.196 10.396 -5.438 1.00 0.00 N ATOM 1654 CA PRO A 109 16.041 10.945 -6.507 1.00 0.00 C ATOM 1655 C PRO A 109 17.530 10.747 -6.211 1.00 0.00 C ATOM 1656 O PRO A 109 18.374 10.961 -7.059 1.00 0.00 O ATOM 1657 CB PRO A 109 15.700 12.434 -6.502 1.00 0.00 C ATOM 1658 CG PRO A 109 15.219 12.706 -5.118 1.00 0.00 C ATOM 1659 CD PRO A 109 14.530 11.453 -4.657 1.00 0.00 C ATOM 0 HA PRO A 109 15.861 10.456 -7.464 1.00 0.00 H new ATOM 0 HB2 PRO A 109 16.572 13.041 -6.745 1.00 0.00 H new ATOM 0 HB3 PRO A 109 14.933 12.667 -7.241 1.00 0.00 H new ATOM 0 HG2 PRO A 109 16.051 12.957 -4.460 1.00 0.00 H new ATOM 0 HG3 PRO A 109 14.534 13.554 -5.104 1.00 0.00 H new ATOM 0 HD2 PRO A 109 14.651 11.298 -3.585 1.00 0.00 H new ATOM 0 HD3 PRO A 109 13.459 11.486 -4.856 1.00 0.00 H new ATOM 1667 N HIS A 110 17.859 10.343 -5.015 1.00 0.00 N ATOM 1668 CA HIS A 110 19.293 10.133 -4.667 1.00 0.00 C ATOM 1669 C HIS A 110 19.784 8.827 -5.294 1.00 0.00 C ATOM 1670 O HIS A 110 20.970 8.579 -5.388 1.00 0.00 O ATOM 1671 CB HIS A 110 19.444 10.057 -3.146 1.00 0.00 C ATOM 1672 CG HIS A 110 20.897 9.899 -2.793 1.00 0.00 C ATOM 1673 ND1 HIS A 110 21.803 10.941 -2.907 1.00 0.00 N ATOM 1674 CD2 HIS A 110 21.616 8.827 -2.327 1.00 0.00 C ATOM 1675 CE1 HIS A 110 23.006 10.478 -2.518 1.00 0.00 C ATOM 1676 NE2 HIS A 110 22.947 9.194 -2.154 1.00 0.00 N ATOM 0 H HIS A 110 17.197 10.149 -4.264 1.00 0.00 H new ATOM 0 HA HIS A 110 19.885 10.965 -5.049 1.00 0.00 H new ATOM 0 HB2 HIS A 110 19.043 10.959 -2.685 1.00 0.00 H new ATOM 0 HB3 HIS A 110 18.870 9.217 -2.755 1.00 0.00 H new ATOM 0 HD2 HIS A 110 21.210 7.847 -2.125 1.00 0.00 H new ATOM 0 HE1 HIS A 110 23.908 11.072 -2.502 1.00 0.00 H new ATOM 0 HE2 HIS A 110 23.713 8.609 -1.821 1.00 0.00 H new ATOM 1684 N GLY A 111 18.881 7.988 -5.724 1.00 0.00 N ATOM 1685 CA GLY A 111 19.299 6.699 -6.345 1.00 0.00 C ATOM 1686 C GLY A 111 18.940 5.543 -5.409 1.00 0.00 C ATOM 1687 O GLY A 111 18.863 4.401 -5.818 1.00 0.00 O ATOM 0 H GLY A 111 17.874 8.139 -5.672 1.00 0.00 H new ATOM 0 HA2 GLY A 111 18.804 6.569 -7.307 1.00 0.00 H new ATOM 0 HA3 GLY A 111 20.372 6.706 -6.537 1.00 0.00 H new ATOM 1691 N GLY A 112 18.720 5.829 -4.154 1.00 0.00 N ATOM 1692 CA GLY A 112 18.367 4.745 -3.195 1.00 0.00 C ATOM 1693 C GLY A 112 16.860 4.485 -3.251 1.00 0.00 C ATOM 1694 O GLY A 112 16.116 5.223 -3.868 1.00 0.00 O ATOM 0 H GLY A 112 18.770 6.765 -3.753 1.00 0.00 H new ATOM 0 HA2 GLY A 112 18.913 3.835 -3.442 1.00 0.00 H new ATOM 0 HA3 GLY A 112 18.661 5.029 -2.184 1.00 0.00 H new ATOM 1698 N THR A 113 16.403 3.442 -2.613 1.00 0.00 N ATOM 1699 CA THR A 113 14.944 3.138 -2.633 1.00 0.00 C ATOM 1700 C THR A 113 14.417 3.056 -1.199 1.00 0.00 C ATOM 1701 O THR A 113 14.940 2.333 -0.374 1.00 0.00 O ATOM 1702 CB THR A 113 14.713 1.799 -3.338 1.00 0.00 C ATOM 1703 OG1 THR A 113 15.221 1.869 -4.663 1.00 0.00 O ATOM 1704 CG2 THR A 113 13.215 1.493 -3.379 1.00 0.00 C ATOM 0 H THR A 113 16.976 2.788 -2.080 1.00 0.00 H new ATOM 0 HA THR A 113 14.417 3.928 -3.168 1.00 0.00 H new ATOM 0 HB THR A 113 15.228 1.008 -2.793 1.00 0.00 H new ATOM 0 HG1 THR A 113 16.052 1.353 -4.722 1.00 0.00 H new ATOM 0 HG21 THR A 113 13.052 0.539 -3.881 1.00 0.00 H new ATOM 0 HG22 THR A 113 12.827 1.438 -2.362 1.00 0.00 H new ATOM 0 HG23 THR A 113 12.697 2.283 -3.923 1.00 0.00 H new ATOM 1712 N ILE A 114 13.382 3.791 -0.895 1.00 0.00 N ATOM 1713 CA ILE A 114 12.819 3.754 0.485 1.00 0.00 C ATOM 1714 C ILE A 114 11.633 2.787 0.520 1.00 0.00 C ATOM 1715 O ILE A 114 10.828 2.745 -0.388 1.00 0.00 O ATOM 1716 CB ILE A 114 12.349 5.155 0.882 1.00 0.00 C ATOM 1717 CG1 ILE A 114 13.501 6.147 0.716 1.00 0.00 C ATOM 1718 CG2 ILE A 114 11.890 5.144 2.342 1.00 0.00 C ATOM 1719 CD1 ILE A 114 12.994 7.567 0.975 1.00 0.00 C ATOM 0 H ILE A 114 12.902 4.416 -1.543 1.00 0.00 H new ATOM 0 HA ILE A 114 13.585 3.418 1.184 1.00 0.00 H new ATOM 0 HB ILE A 114 11.519 5.454 0.242 1.00 0.00 H new ATOM 0 HG12 ILE A 114 14.306 5.905 1.410 1.00 0.00 H new ATOM 0 HG13 ILE A 114 13.915 6.075 -0.290 1.00 0.00 H new ATOM 0 HG21 ILE A 114 11.555 6.142 2.626 1.00 0.00 H new ATOM 0 HG22 ILE A 114 11.068 4.438 2.460 1.00 0.00 H new ATOM 0 HG23 ILE A 114 12.720 4.844 2.982 1.00 0.00 H new ATOM 0 HD11 ILE A 114 13.815 8.274 0.857 1.00 0.00 H new ATOM 0 HD12 ILE A 114 12.204 7.807 0.264 1.00 0.00 H new ATOM 0 HD13 ILE A 114 12.601 7.634 1.990 1.00 0.00 H new ATOM 1731 N ILE A 115 11.519 2.008 1.561 1.00 0.00 N ATOM 1732 CA ILE A 115 10.386 1.044 1.645 1.00 0.00 C ATOM 1733 C ILE A 115 9.608 1.272 2.943 1.00 0.00 C ATOM 1734 O ILE A 115 10.149 1.190 4.028 1.00 0.00 O ATOM 1735 CB ILE A 115 10.931 -0.387 1.625 1.00 0.00 C ATOM 1736 CG1 ILE A 115 11.870 -0.560 0.430 1.00 0.00 C ATOM 1737 CG2 ILE A 115 9.767 -1.373 1.507 1.00 0.00 C ATOM 1738 CD1 ILE A 115 13.091 -1.378 0.856 1.00 0.00 C ATOM 0 H ILE A 115 12.160 1.997 2.355 1.00 0.00 H new ATOM 0 HA ILE A 115 9.722 1.195 0.794 1.00 0.00 H new ATOM 0 HB ILE A 115 11.479 -0.580 2.547 1.00 0.00 H new ATOM 0 HG12 ILE A 115 11.349 -1.062 -0.386 1.00 0.00 H new ATOM 0 HG13 ILE A 115 12.184 0.415 0.056 1.00 0.00 H new ATOM 0 HG21 ILE A 115 10.153 -2.392 1.493 1.00 0.00 H new ATOM 0 HG22 ILE A 115 9.098 -1.250 2.359 1.00 0.00 H new ATOM 0 HG23 ILE A 115 9.219 -1.180 0.585 1.00 0.00 H new ATOM 0 HD11 ILE A 115 13.761 -1.502 0.005 1.00 0.00 H new ATOM 0 HD12 ILE A 115 13.615 -0.858 1.658 1.00 0.00 H new ATOM 0 HD13 ILE A 115 12.768 -2.357 1.209 1.00 0.00 H new ATOM 1750 N LYS A 116 8.336 1.551 2.840 1.00 0.00 N ATOM 1751 CA LYS A 116 7.518 1.777 4.065 1.00 0.00 C ATOM 1752 C LYS A 116 6.591 0.579 4.275 1.00 0.00 C ATOM 1753 O LYS A 116 6.029 0.047 3.339 1.00 0.00 O ATOM 1754 CB LYS A 116 6.684 3.048 3.896 1.00 0.00 C ATOM 1755 CG LYS A 116 7.617 4.252 3.745 1.00 0.00 C ATOM 1756 CD LYS A 116 6.788 5.536 3.680 1.00 0.00 C ATOM 1757 CE LYS A 116 7.720 6.735 3.489 1.00 0.00 C ATOM 1758 NZ LYS A 116 7.079 7.722 2.576 1.00 0.00 N ATOM 0 H LYS A 116 7.828 1.632 1.959 1.00 0.00 H new ATOM 0 HA LYS A 116 8.173 1.890 4.929 1.00 0.00 H new ATOM 0 HB2 LYS A 116 6.041 2.960 3.020 1.00 0.00 H new ATOM 0 HB3 LYS A 116 6.032 3.185 4.758 1.00 0.00 H new ATOM 0 HG2 LYS A 116 8.310 4.296 4.585 1.00 0.00 H new ATOM 0 HG3 LYS A 116 8.218 4.149 2.842 1.00 0.00 H new ATOM 0 HD2 LYS A 116 6.076 5.481 2.857 1.00 0.00 H new ATOM 0 HD3 LYS A 116 6.208 5.654 4.596 1.00 0.00 H new ATOM 0 HE2 LYS A 116 7.934 7.200 4.451 1.00 0.00 H new ATOM 0 HE3 LYS A 116 8.673 6.406 3.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 7.712 8.537 2.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 6.896 7.275 1.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 6.180 8.044 2.989 1.00 0.00 H new ATOM 1772 N THR A 117 6.431 0.142 5.495 1.00 0.00 N ATOM 1773 CA THR A 117 5.544 -1.028 5.750 1.00 0.00 C ATOM 1774 C THR A 117 4.525 -0.687 6.839 1.00 0.00 C ATOM 1775 O THR A 117 4.868 -0.204 7.899 1.00 0.00 O ATOM 1776 CB THR A 117 6.393 -2.218 6.204 1.00 0.00 C ATOM 1777 OG1 THR A 117 7.374 -2.502 5.217 1.00 0.00 O ATOM 1778 CG2 THR A 117 5.498 -3.441 6.404 1.00 0.00 C ATOM 0 H THR A 117 6.874 0.542 6.322 1.00 0.00 H new ATOM 0 HA THR A 117 5.014 -1.281 4.832 1.00 0.00 H new ATOM 0 HB THR A 117 6.885 -1.974 7.146 1.00 0.00 H new ATOM 0 HG1 THR A 117 7.919 -3.263 5.507 1.00 0.00 H new ATOM 0 HG21 THR A 117 6.105 -4.287 6.727 1.00 0.00 H new ATOM 0 HG22 THR A 117 4.747 -3.222 7.163 1.00 0.00 H new ATOM 0 HG23 THR A 117 5.003 -3.687 5.465 1.00 0.00 H new ATOM 1786 N THR A 118 3.271 -0.947 6.584 1.00 0.00 N ATOM 1787 CA THR A 118 2.221 -0.654 7.600 1.00 0.00 C ATOM 1788 C THR A 118 1.409 -1.925 7.853 1.00 0.00 C ATOM 1789 O THR A 118 1.113 -2.671 6.940 1.00 0.00 O ATOM 1790 CB THR A 118 1.295 0.447 7.077 1.00 0.00 C ATOM 1791 OG1 THR A 118 2.076 1.557 6.651 1.00 0.00 O ATOM 1792 CG2 THR A 118 0.344 0.887 8.190 1.00 0.00 C ATOM 0 H THR A 118 2.928 -1.351 5.713 1.00 0.00 H new ATOM 0 HA THR A 118 2.687 -0.321 8.527 1.00 0.00 H new ATOM 0 HB THR A 118 0.715 0.066 6.237 1.00 0.00 H new ATOM 0 HG1 THR A 118 1.485 2.263 6.314 1.00 0.00 H new ATOM 0 HG21 THR A 118 -0.315 1.671 7.817 1.00 0.00 H new ATOM 0 HG22 THR A 118 -0.253 0.036 8.516 1.00 0.00 H new ATOM 0 HG23 THR A 118 0.921 1.269 9.032 1.00 0.00 H new ATOM 1800 N SER A 119 1.051 -2.189 9.080 1.00 0.00 N ATOM 1801 CA SER A 119 0.268 -3.426 9.365 1.00 0.00 C ATOM 1802 C SER A 119 -0.729 -3.171 10.498 1.00 0.00 C ATOM 1803 O SER A 119 -0.542 -2.301 11.324 1.00 0.00 O ATOM 1804 CB SER A 119 1.225 -4.546 9.776 1.00 0.00 C ATOM 1805 OG SER A 119 1.781 -4.249 11.050 1.00 0.00 O ATOM 0 H SER A 119 1.264 -1.608 9.891 1.00 0.00 H new ATOM 0 HA SER A 119 -0.280 -3.715 8.468 1.00 0.00 H new ATOM 0 HB2 SER A 119 0.695 -5.498 9.811 1.00 0.00 H new ATOM 0 HB3 SER A 119 2.019 -4.651 9.036 1.00 0.00 H new ATOM 0 HG SER A 119 1.550 -4.962 11.682 1.00 0.00 H new ATOM 1811 N LYS A 120 -1.785 -3.939 10.540 1.00 0.00 N ATOM 1812 CA LYS A 120 -2.801 -3.765 11.616 1.00 0.00 C ATOM 1813 C LYS A 120 -3.087 -5.128 12.251 1.00 0.00 C ATOM 1814 O LYS A 120 -3.013 -6.150 11.598 1.00 0.00 O ATOM 1815 CB LYS A 120 -4.092 -3.199 11.018 1.00 0.00 C ATOM 1816 CG LYS A 120 -3.837 -1.783 10.497 1.00 0.00 C ATOM 1817 CD LYS A 120 -5.093 -1.269 9.790 1.00 0.00 C ATOM 1818 CE LYS A 120 -4.774 0.043 9.069 1.00 0.00 C ATOM 1819 NZ LYS A 120 -4.595 -0.222 7.613 1.00 0.00 N ATOM 0 H LYS A 120 -1.987 -4.682 9.872 1.00 0.00 H new ATOM 0 HA LYS A 120 -2.424 -3.075 12.371 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -4.440 -3.839 10.207 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -4.878 -3.184 11.773 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -3.574 -1.121 11.323 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -2.993 -1.784 9.808 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -5.450 -2.011 9.076 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -5.892 -1.113 10.514 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -5.580 0.760 9.223 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -3.869 0.487 9.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -4.378 0.669 7.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -3.812 -0.892 7.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -5.470 -0.628 7.224 1.00 0.00 H new ATOM 1833 N TYR A 121 -3.407 -5.157 13.515 1.00 0.00 N ATOM 1834 CA TYR A 121 -3.686 -6.464 14.178 1.00 0.00 C ATOM 1835 C TYR A 121 -5.130 -6.491 14.686 1.00 0.00 C ATOM 1836 O TYR A 121 -5.534 -5.663 15.479 1.00 0.00 O ATOM 1837 CB TYR A 121 -2.730 -6.650 15.357 1.00 0.00 C ATOM 1838 CG TYR A 121 -1.304 -6.556 14.869 1.00 0.00 C ATOM 1839 CD1 TYR A 121 -0.653 -7.698 14.384 1.00 0.00 C ATOM 1840 CD2 TYR A 121 -0.634 -5.329 14.900 1.00 0.00 C ATOM 1841 CE1 TYR A 121 0.669 -7.610 13.932 1.00 0.00 C ATOM 1842 CE2 TYR A 121 0.689 -5.241 14.448 1.00 0.00 C ATOM 1843 CZ TYR A 121 1.340 -6.382 13.964 1.00 0.00 C ATOM 1844 OH TYR A 121 2.643 -6.295 13.517 1.00 0.00 O ATOM 0 H TYR A 121 -3.487 -4.337 14.116 1.00 0.00 H new ATOM 0 HA TYR A 121 -3.543 -7.270 13.458 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -2.917 -5.889 16.114 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -2.901 -7.618 15.829 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -1.171 -8.645 14.359 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -1.137 -4.449 15.273 1.00 0.00 H new ATOM 0 HE1 TYR A 121 1.171 -8.490 13.558 1.00 0.00 H new ATOM 0 HE2 TYR A 121 1.207 -4.293 14.473 1.00 0.00 H new ATOM 0 HH TYR A 121 2.959 -5.372 13.607 1.00 0.00 H new ATOM 1854 N HIS A 122 -5.908 -7.439 14.241 1.00 0.00 N ATOM 1855 CA HIS A 122 -7.321 -7.522 14.706 1.00 0.00 C ATOM 1856 C HIS A 122 -7.388 -8.397 15.959 1.00 0.00 C ATOM 1857 O HIS A 122 -6.673 -9.372 16.085 1.00 0.00 O ATOM 1858 CB HIS A 122 -8.187 -8.138 13.605 1.00 0.00 C ATOM 1859 CG HIS A 122 -8.185 -7.235 12.402 1.00 0.00 C ATOM 1860 ND1 HIS A 122 -8.556 -7.681 11.143 1.00 0.00 N ATOM 1861 CD2 HIS A 122 -7.862 -5.909 12.250 1.00 0.00 C ATOM 1862 CE1 HIS A 122 -8.446 -6.642 10.296 1.00 0.00 C ATOM 1863 NE2 HIS A 122 -8.026 -5.537 10.918 1.00 0.00 N ATOM 0 H HIS A 122 -5.626 -8.159 13.576 1.00 0.00 H new ATOM 0 HA HIS A 122 -7.689 -6.523 14.937 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -7.805 -9.122 13.335 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -9.206 -8.279 13.965 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -7.531 -5.254 13.043 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -8.670 -6.695 9.241 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -7.861 -4.619 10.506 1.00 0.00 H new ATOM 1871 N THR A 123 -8.237 -8.057 16.890 1.00 0.00 N ATOM 1872 CA THR A 123 -8.344 -8.873 18.133 1.00 0.00 C ATOM 1873 C THR A 123 -9.810 -9.219 18.394 1.00 0.00 C ATOM 1874 O THR A 123 -10.709 -8.551 17.925 1.00 0.00 O ATOM 1875 CB THR A 123 -7.791 -8.072 19.316 1.00 0.00 C ATOM 1876 OG1 THR A 123 -8.685 -7.012 19.625 1.00 0.00 O ATOM 1877 CG2 THR A 123 -6.422 -7.498 18.951 1.00 0.00 C ATOM 0 H THR A 123 -8.860 -7.251 16.844 1.00 0.00 H new ATOM 0 HA THR A 123 -7.771 -9.792 18.014 1.00 0.00 H new ATOM 0 HB THR A 123 -7.688 -8.726 20.182 1.00 0.00 H new ATOM 0 HG1 THR A 123 -8.334 -6.499 20.383 1.00 0.00 H new ATOM 0 HG21 THR A 123 -6.030 -6.928 19.794 1.00 0.00 H new ATOM 0 HG22 THR A 123 -5.738 -8.312 18.714 1.00 0.00 H new ATOM 0 HG23 THR A 123 -6.521 -6.843 18.085 1.00 0.00 H new ATOM 2169 N ALA A 142 11.725 -7.185 10.216 1.00 0.00 N ATOM 2170 CA ALA A 142 12.936 -6.394 9.860 1.00 0.00 C ATOM 2171 C ALA A 142 14.121 -7.339 9.653 1.00 0.00 C ATOM 2172 O ALA A 142 14.900 -7.182 8.733 1.00 0.00 O ATOM 2173 CB ALA A 142 13.255 -5.413 10.990 1.00 0.00 C ATOM 0 HA ALA A 142 12.750 -5.840 8.940 1.00 0.00 H new ATOM 0 HB1 ALA A 142 14.141 -4.834 10.730 1.00 0.00 H new ATOM 0 HB2 ALA A 142 12.411 -4.739 11.136 1.00 0.00 H new ATOM 0 HB3 ALA A 142 13.441 -5.966 11.911 1.00 0.00 H new ATOM 2179 N HIS A 143 14.267 -8.320 10.500 1.00 0.00 N ATOM 2180 CA HIS A 143 15.404 -9.273 10.351 1.00 0.00 C ATOM 2181 C HIS A 143 15.311 -9.967 8.990 1.00 0.00 C ATOM 2182 O HIS A 143 16.267 -10.015 8.241 1.00 0.00 O ATOM 2183 CB HIS A 143 15.342 -10.321 11.464 1.00 0.00 C ATOM 2184 CG HIS A 143 15.638 -9.670 12.788 1.00 0.00 C ATOM 2185 ND1 HIS A 143 16.826 -8.998 13.033 1.00 0.00 N ATOM 2186 CD2 HIS A 143 14.911 -9.582 13.949 1.00 0.00 C ATOM 2187 CE1 HIS A 143 16.780 -8.541 14.297 1.00 0.00 C ATOM 2188 NE2 HIS A 143 15.635 -8.868 14.901 1.00 0.00 N ATOM 0 H HIS A 143 13.648 -8.504 11.290 1.00 0.00 H new ATOM 0 HA HIS A 143 16.346 -8.729 10.418 1.00 0.00 H new ATOM 0 HB2 HIS A 143 14.355 -10.783 11.487 1.00 0.00 H new ATOM 0 HB3 HIS A 143 16.062 -11.116 11.269 1.00 0.00 H new ATOM 0 HD2 HIS A 143 13.928 -10.002 14.101 1.00 0.00 H new ATOM 0 HE1 HIS A 143 17.573 -7.978 14.767 1.00 0.00 H new ATOM 0 HE2 HIS A 143 15.351 -8.643 15.855 1.00 0.00 H new ATOM 2196 N LEU A 144 14.169 -10.510 8.665 1.00 0.00 N ATOM 2197 CA LEU A 144 14.018 -11.204 7.354 1.00 0.00 C ATOM 2198 C LEU A 144 14.088 -10.182 6.217 1.00 0.00 C ATOM 2199 O LEU A 144 14.794 -10.369 5.245 1.00 0.00 O ATOM 2200 CB LEU A 144 12.665 -11.920 7.310 1.00 0.00 C ATOM 2201 CG LEU A 144 12.764 -13.251 8.059 1.00 0.00 C ATOM 2202 CD1 LEU A 144 13.435 -13.025 9.416 1.00 0.00 C ATOM 2203 CD2 LEU A 144 11.360 -13.820 8.272 1.00 0.00 C ATOM 0 H LEU A 144 13.334 -10.503 9.251 1.00 0.00 H new ATOM 0 HA LEU A 144 14.822 -11.931 7.237 1.00 0.00 H new ATOM 0 HB2 LEU A 144 11.896 -11.293 7.761 1.00 0.00 H new ATOM 0 HB3 LEU A 144 12.368 -12.094 6.276 1.00 0.00 H new ATOM 0 HG LEU A 144 13.357 -13.954 7.474 1.00 0.00 H new ATOM 0 HD11 LEU A 144 13.505 -13.973 9.949 1.00 0.00 H new ATOM 0 HD12 LEU A 144 14.435 -12.619 9.264 1.00 0.00 H new ATOM 0 HD13 LEU A 144 12.843 -12.322 10.002 1.00 0.00 H new ATOM 0 HD21 LEU A 144 11.429 -14.768 8.805 1.00 0.00 H new ATOM 0 HD22 LEU A 144 10.767 -13.117 8.857 1.00 0.00 H new ATOM 0 HD23 LEU A 144 10.882 -13.981 7.306 1.00 0.00 H new ATOM 2215 N PHE A 145 13.359 -9.105 6.328 1.00 0.00 N ATOM 2216 CA PHE A 145 13.383 -8.074 5.251 1.00 0.00 C ATOM 2217 C PHE A 145 14.828 -7.666 4.964 1.00 0.00 C ATOM 2218 O PHE A 145 15.240 -7.568 3.825 1.00 0.00 O ATOM 2219 CB PHE A 145 12.586 -6.849 5.704 1.00 0.00 C ATOM 2220 CG PHE A 145 12.431 -5.890 4.548 1.00 0.00 C ATOM 2221 CD1 PHE A 145 11.452 -6.118 3.575 1.00 0.00 C ATOM 2222 CD2 PHE A 145 13.267 -4.770 4.451 1.00 0.00 C ATOM 2223 CE1 PHE A 145 11.307 -5.228 2.504 1.00 0.00 C ATOM 2224 CE2 PHE A 145 13.122 -3.880 3.380 1.00 0.00 C ATOM 2225 CZ PHE A 145 12.142 -4.109 2.407 1.00 0.00 C ATOM 0 H PHE A 145 12.748 -8.894 7.117 1.00 0.00 H new ATOM 0 HA PHE A 145 12.938 -8.484 4.345 1.00 0.00 H new ATOM 0 HB2 PHE A 145 11.606 -7.155 6.070 1.00 0.00 H new ATOM 0 HB3 PHE A 145 13.096 -6.357 6.532 1.00 0.00 H new ATOM 0 HD1 PHE A 145 10.807 -6.981 3.650 1.00 0.00 H new ATOM 0 HD2 PHE A 145 14.023 -4.593 5.202 1.00 0.00 H new ATOM 0 HE1 PHE A 145 10.551 -5.405 1.753 1.00 0.00 H new ATOM 0 HE2 PHE A 145 13.766 -3.017 3.305 1.00 0.00 H new ATOM 0 HZ PHE A 145 12.030 -3.422 1.581 1.00 0.00 H new ATOM 2235 N LYS A 146 15.602 -7.429 5.987 1.00 0.00 N ATOM 2236 CA LYS A 146 17.021 -7.028 5.769 1.00 0.00 C ATOM 2237 C LYS A 146 17.738 -8.109 4.957 1.00 0.00 C ATOM 2238 O LYS A 146 18.523 -7.819 4.075 1.00 0.00 O ATOM 2239 CB LYS A 146 17.718 -6.861 7.121 1.00 0.00 C ATOM 2240 CG LYS A 146 19.109 -6.260 6.907 1.00 0.00 C ATOM 2241 CD LYS A 146 19.805 -6.090 8.259 1.00 0.00 C ATOM 2242 CE LYS A 146 21.142 -5.377 8.058 1.00 0.00 C ATOM 2243 NZ LYS A 146 20.916 -4.093 7.335 1.00 0.00 N ATOM 0 H LYS A 146 15.314 -7.495 6.963 1.00 0.00 H new ATOM 0 HA LYS A 146 17.051 -6.084 5.225 1.00 0.00 H new ATOM 0 HB2 LYS A 146 17.127 -6.215 7.770 1.00 0.00 H new ATOM 0 HB3 LYS A 146 17.800 -7.826 7.622 1.00 0.00 H new ATOM 0 HG2 LYS A 146 19.701 -6.907 6.260 1.00 0.00 H new ATOM 0 HG3 LYS A 146 19.027 -5.296 6.404 1.00 0.00 H new ATOM 0 HD2 LYS A 146 19.173 -5.516 8.936 1.00 0.00 H new ATOM 0 HD3 LYS A 146 19.966 -7.063 8.722 1.00 0.00 H new ATOM 0 HE2 LYS A 146 21.613 -5.186 9.022 1.00 0.00 H new ATOM 0 HE3 LYS A 146 21.823 -6.011 7.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 21.694 -3.435 7.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 20.880 -4.273 6.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 20.016 -3.674 7.645 1.00 0.00 H new ATOM 2257 N LEU A 147 17.477 -9.354 5.246 1.00 0.00 N ATOM 2258 CA LEU A 147 18.145 -10.450 4.489 1.00 0.00 C ATOM 2259 C LEU A 147 17.790 -10.333 3.006 1.00 0.00 C ATOM 2260 O LEU A 147 18.619 -10.541 2.141 1.00 0.00 O ATOM 2261 CB LEU A 147 17.675 -11.804 5.025 1.00 0.00 C ATOM 2262 CG LEU A 147 18.534 -12.918 4.423 1.00 0.00 C ATOM 2263 CD1 LEU A 147 20.014 -12.570 4.594 1.00 0.00 C ATOM 2264 CD2 LEU A 147 18.235 -14.238 5.136 1.00 0.00 C ATOM 0 H LEU A 147 16.830 -9.660 5.973 1.00 0.00 H new ATOM 0 HA LEU A 147 19.225 -10.370 4.611 1.00 0.00 H new ATOM 0 HB2 LEU A 147 17.748 -11.822 6.112 1.00 0.00 H new ATOM 0 HB3 LEU A 147 16.626 -11.963 4.773 1.00 0.00 H new ATOM 0 HG LEU A 147 18.304 -13.019 3.362 1.00 0.00 H new ATOM 0 HD11 LEU A 147 20.626 -13.363 4.165 1.00 0.00 H new ATOM 0 HD12 LEU A 147 20.228 -11.631 4.084 1.00 0.00 H new ATOM 0 HD13 LEU A 147 20.244 -12.468 5.655 1.00 0.00 H new ATOM 0 HD21 LEU A 147 18.848 -15.031 4.706 1.00 0.00 H new ATOM 0 HD22 LEU A 147 18.463 -14.138 6.197 1.00 0.00 H new ATOM 0 HD23 LEU A 147 17.181 -14.487 5.013 1.00 0.00 H new ATOM 2276 N ILE A 148 16.565 -9.997 2.703 1.00 0.00 N ATOM 2277 CA ILE A 148 16.163 -9.863 1.274 1.00 0.00 C ATOM 2278 C ILE A 148 17.121 -8.903 0.568 1.00 0.00 C ATOM 2279 O ILE A 148 17.696 -9.224 -0.454 1.00 0.00 O ATOM 2280 CB ILE A 148 14.737 -9.312 1.194 1.00 0.00 C ATOM 2281 CG1 ILE A 148 13.771 -10.295 1.859 1.00 0.00 C ATOM 2282 CG2 ILE A 148 14.344 -9.125 -0.272 1.00 0.00 C ATOM 2283 CD1 ILE A 148 12.354 -9.716 1.828 1.00 0.00 C ATOM 0 H ILE A 148 15.827 -9.810 3.382 1.00 0.00 H new ATOM 0 HA ILE A 148 16.201 -10.839 0.791 1.00 0.00 H new ATOM 0 HB ILE A 148 14.690 -8.352 1.709 1.00 0.00 H new ATOM 0 HG12 ILE A 148 13.795 -11.253 1.340 1.00 0.00 H new ATOM 0 HG13 ILE A 148 14.077 -10.482 2.888 1.00 0.00 H new ATOM 0 HG21 ILE A 148 13.329 -8.733 -0.329 1.00 0.00 H new ATOM 0 HG22 ILE A 148 15.031 -8.424 -0.746 1.00 0.00 H new ATOM 0 HG23 ILE A 148 14.392 -10.085 -0.787 1.00 0.00 H new ATOM 0 HD11 ILE A 148 11.665 -10.415 2.301 1.00 0.00 H new ATOM 0 HD12 ILE A 148 12.336 -8.768 2.366 1.00 0.00 H new ATOM 0 HD13 ILE A 148 12.051 -9.552 0.794 1.00 0.00 H new ATOM 2295 N GLU A 149 17.303 -7.728 1.106 1.00 0.00 N ATOM 2296 CA GLU A 149 18.227 -6.751 0.466 1.00 0.00 C ATOM 2297 C GLU A 149 19.598 -7.402 0.282 1.00 0.00 C ATOM 2298 O GLU A 149 20.261 -7.206 -0.717 1.00 0.00 O ATOM 2299 CB GLU A 149 18.364 -5.517 1.361 1.00 0.00 C ATOM 2300 CG GLU A 149 19.253 -4.480 0.671 1.00 0.00 C ATOM 2301 CD GLU A 149 19.547 -3.335 1.643 1.00 0.00 C ATOM 2302 OE1 GLU A 149 19.115 -3.423 2.781 1.00 0.00 O ATOM 2303 OE2 GLU A 149 20.201 -2.389 1.233 1.00 0.00 O ATOM 0 H GLU A 149 16.852 -7.403 1.961 1.00 0.00 H new ATOM 0 HA GLU A 149 17.830 -6.452 -0.504 1.00 0.00 H new ATOM 0 HB2 GLU A 149 17.381 -5.091 1.564 1.00 0.00 H new ATOM 0 HB3 GLU A 149 18.794 -5.798 2.322 1.00 0.00 H new ATOM 0 HG2 GLU A 149 20.184 -4.943 0.345 1.00 0.00 H new ATOM 0 HG3 GLU A 149 18.758 -4.096 -0.221 1.00 0.00 H new ATOM 2310 N GLY A 150 20.027 -8.179 1.238 1.00 0.00 N ATOM 2311 CA GLY A 150 21.353 -8.846 1.116 1.00 0.00 C ATOM 2312 C GLY A 150 21.348 -9.770 -0.104 1.00 0.00 C ATOM 2313 O GLY A 150 22.341 -9.912 -0.789 1.00 0.00 O ATOM 0 H GLY A 150 19.517 -8.381 2.098 1.00 0.00 H new ATOM 0 HA2 GLY A 150 22.140 -8.099 1.017 1.00 0.00 H new ATOM 0 HA3 GLY A 150 21.569 -9.418 2.018 1.00 0.00 H new ATOM 2317 N TYR A 151 20.237 -10.396 -0.381 1.00 0.00 N ATOM 2318 CA TYR A 151 20.169 -11.307 -1.559 1.00 0.00 C ATOM 2319 C TYR A 151 20.193 -10.477 -2.843 1.00 0.00 C ATOM 2320 O TYR A 151 20.861 -10.815 -3.801 1.00 0.00 O ATOM 2321 CB TYR A 151 18.873 -12.120 -1.503 1.00 0.00 C ATOM 2322 CG TYR A 151 18.968 -13.154 -0.407 1.00 0.00 C ATOM 2323 CD1 TYR A 151 20.142 -13.899 -0.244 1.00 0.00 C ATOM 2324 CD2 TYR A 151 17.878 -13.369 0.447 1.00 0.00 C ATOM 2325 CE1 TYR A 151 20.226 -14.859 0.772 1.00 0.00 C ATOM 2326 CE2 TYR A 151 17.963 -14.329 1.462 1.00 0.00 C ATOM 2327 CZ TYR A 151 19.137 -15.074 1.625 1.00 0.00 C ATOM 2328 OH TYR A 151 19.221 -16.021 2.625 1.00 0.00 O ATOM 0 H TYR A 151 19.374 -10.316 0.157 1.00 0.00 H new ATOM 0 HA TYR A 151 21.023 -11.984 -1.545 1.00 0.00 H new ATOM 0 HB2 TYR A 151 18.026 -11.459 -1.320 1.00 0.00 H new ATOM 0 HB3 TYR A 151 18.696 -12.607 -2.462 1.00 0.00 H new ATOM 0 HD1 TYR A 151 20.983 -13.733 -0.902 1.00 0.00 H new ATOM 0 HD2 TYR A 151 16.972 -12.794 0.322 1.00 0.00 H new ATOM 0 HE1 TYR A 151 21.132 -15.434 0.898 1.00 0.00 H new ATOM 0 HE2 TYR A 151 17.123 -14.495 2.120 1.00 0.00 H new ATOM 0 HH TYR A 151 20.151 -16.101 2.923 1.00 0.00 H new ATOM 2338 N LEU A 152 19.468 -9.392 -2.872 1.00 0.00 N ATOM 2339 CA LEU A 152 19.448 -8.539 -4.094 1.00 0.00 C ATOM 2340 C LEU A 152 20.751 -7.741 -4.176 1.00 0.00 C ATOM 2341 O LEU A 152 21.299 -7.538 -5.241 1.00 0.00 O ATOM 2342 CB LEU A 152 18.261 -7.577 -4.025 1.00 0.00 C ATOM 2343 CG LEU A 152 16.959 -8.369 -4.162 1.00 0.00 C ATOM 2344 CD1 LEU A 152 16.609 -9.011 -2.818 1.00 0.00 C ATOM 2345 CD2 LEU A 152 15.831 -7.426 -4.586 1.00 0.00 C ATOM 0 H LEU A 152 18.888 -9.059 -2.102 1.00 0.00 H new ATOM 0 HA LEU A 152 19.351 -9.169 -4.978 1.00 0.00 H new ATOM 0 HB2 LEU A 152 18.272 -7.035 -3.080 1.00 0.00 H new ATOM 0 HB3 LEU A 152 18.334 -6.834 -4.819 1.00 0.00 H new ATOM 0 HG LEU A 152 17.084 -9.147 -4.915 1.00 0.00 H new ATOM 0 HD11 LEU A 152 15.682 -9.575 -2.915 1.00 0.00 H new ATOM 0 HD12 LEU A 152 17.412 -9.683 -2.515 1.00 0.00 H new ATOM 0 HD13 LEU A 152 16.483 -8.233 -2.065 1.00 0.00 H new ATOM 0 HD21 LEU A 152 14.903 -7.990 -4.684 1.00 0.00 H new ATOM 0 HD22 LEU A 152 15.705 -6.648 -3.833 1.00 0.00 H new ATOM 0 HD23 LEU A 152 16.080 -6.968 -5.543 1.00 0.00 H new