USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 659 hydrogens (20 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 NoAdj-H: A 110 RCYH1YB : A 110 RCY C1Y : A 13 ALA CA :(H bumps) USER MOD NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 RCY H1Y : A 110 RCY C1Y : A 13 ALA CA :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCYH1YB : A 138 RCY C1Y : A 150 RCY C1Q :(H bumps) USER MOD NoAdj-H: A 138 RCYH1YA : A 138 RCY C1Y : A 150 RCY C1Q :(H bumps) USER MOD NoAdj-H: A 138 RCYH1SA : A 138 RCY C1S : A 38 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCY H1S : A 138 RCY C1S : A 150 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 150 RCYH1ZB : A 150 RCY C1Z : A 138 RCY C1S :(H bumps) USER MOD NoAdj-H: A 150 RCYH1ZA : A 150 RCY C1Z : A 138 RCY C1S :(H bumps) USER MOD NoAdj-H: A 150 RCYH1SA : A 150 RCY C1S : A 50 CYS SG :(H bumps) USER MOD NoAdj-H: A 150 RCYH1MA : A 150 RCY C1M : A 138 RCY C1Q :(H bumps) USER MOD NoAdj-H: A 150 RCY H1U : A 150 RCY C1U : A 138 RCY O1H :(H bumps) USER MOD NoAdj-H: A 160 RCYH1SA : A 160 RCY C1S : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCYH1SA : A 168 RCY C1S : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCYH1ZB : A 173 RCY C1Z : A 176 RCY C1V :(H bumps) USER MOD NoAdj-H: A 173 RCYH1ZA : A 173 RCY C1Z : A 176 RCY N1V :(H bumps) USER MOD NoAdj-H: A 173 RCYH1YB : A 173 RCY C1Y : A 176 RCY N1R :(H bumps) USER MOD NoAdj-H: A 173 RCYH1YA : A 173 RCY C1Y : A 176 RCY N1R :(H bumps) USER MOD NoAdj-H: A 173 RCYH1SA : A 173 RCY C1S : A 73 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCY H1Z : A 173 RCY C1Z : A 176 RCY C1V :(H bumps) USER MOD NoAdj-H: A 173 RCY H1M : A 173 RCY C1M : A 176 RCY O1G :(H bumps) USER MOD NoAdj-H: A 176 RCYH1VB : A 176 RCY C1V : A 173 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 176 RCYH1VA : A 176 RCY C1V : A 173 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 176 RCYH1SA : A 176 RCY C1S : A 76 CYS SG :(H bumps) USER MOD NoAdj-H: A 176 RCYH1CB : A 176 RCY C1C : A 173 RCY C1W :(H bumps) USER MOD NoAdj-H: A 176 RCY H1V : A 176 RCY C1V : A 173 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 176 RCY H1U : A 176 RCY C1U : A 173 RCY C1W :(H bumps) USER MOD NoAdj-H: A 176 RCY H1C : A 176 RCY C1C : A 173 RCY C1U :(H bumps) USER MOD NoAdj-H: A 187 RCYH1ZB : A 187 RCY C1Z : A 176 RCY C1V :(H bumps) USER MOD NoAdj-H: A 187 RCYH1ZA : A 187 RCY C1Z : A 176 RCY C1V :(H bumps) USER MOD NoAdj-H: A 187 RCYH1SA : A 187 RCY C1S : A 87 CYS SG :(H bumps) USER MOD NoAdj-H: A 187 RCY H1Z : A 187 RCY C1Z : A 176 RCY C1V :(H bumps) USER MOD NoAdj-H: A 187 RCY H1L : A 187 RCY C1L : A 187 RCY C1Q :(H bumps) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 150:sc= 0.357 (180deg=-1.7!) USER MOD Single : A 2 ASN : amide:sc= -6.04! C(o=-6!,f=-7!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -21:sc= 0.739 USER MOD Single : A 17 MET CE :methyl 163:sc= 0 (180deg=-0.0602) USER MOD Single : A 22 THR OG1 : rot 50:sc= 0.574 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -134:sc= -0.339 (180deg=-2.11!) USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 34 GLN : amide:sc= -0.475 K(o=-0.47,f=-2.7!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0.141 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -127:sc= -1.89 (180deg=-5.47!) USER MOD Single : A 45 LYS NZ :NH3+ 152:sc= -0.148 (180deg=-0.993) USER MOD Single : A 48 GLN : amide:sc= -2.79! C(o=-2.8!,f=-3.6!) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -91:sc= 0.747 USER MOD Single : A 65 THR OG1 : rot 104:sc= 1.22 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 HIS :FLIP no HD1:sc= -0.625 F(o=-1.3,f=-0.63) USER MOD Single : A 79 HIS : no HD1:sc= -0.711 K(o=-0.71,f=-1.8!) USER MOD Single : A 83 GLN :FLIP amide:sc= 0 F(o=-0.62,f=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 53.803 27.551 3.645 1.00 1.00 N ATOM 2 CA MET A 1 53.978 26.680 4.842 1.00 1.00 C ATOM 3 C MET A 1 54.817 25.456 4.463 1.00 1.00 C ATOM 4 O MET A 1 54.353 24.562 3.784 1.00 1.00 O ATOM 5 CB MET A 1 52.604 26.229 5.354 1.00 1.00 C ATOM 6 CG MET A 1 51.617 26.171 4.186 1.00 1.00 C ATOM 7 SD MET A 1 51.060 27.846 3.785 1.00 1.00 S ATOM 8 CE MET A 1 49.674 27.909 4.947 1.00 1.00 C ATOM 0 H1 MET A 1 52.896 28.055 3.712 1.00 1.00 H new ATOM 0 H2 MET A 1 54.580 28.241 3.601 1.00 1.00 H new ATOM 0 H3 MET A 1 53.812 26.966 2.785 1.00 1.00 H new ATOM 0 HA MET A 1 54.488 27.238 5.628 1.00 1.00 H new ATOM 0 HB2 MET A 1 52.684 25.249 5.826 1.00 1.00 H new ATOM 0 HB3 MET A 1 52.243 26.921 6.115 1.00 1.00 H new ATOM 0 HG2 MET A 1 52.092 25.716 3.317 1.00 1.00 H new ATOM 0 HG3 MET A 1 50.764 25.545 4.447 1.00 1.00 H new ATOM 0 HE1 MET A 1 49.176 28.875 4.868 1.00 1.00 H new ATOM 0 HE2 MET A 1 48.965 27.115 4.711 1.00 1.00 H new ATOM 0 HE3 MET A 1 50.045 27.774 5.963 1.00 1.00 H new ATOM 17 N ASN A 2 56.049 25.415 4.901 1.00 1.00 N ATOM 18 CA ASN A 2 56.933 24.255 4.576 1.00 1.00 C ATOM 19 C ASN A 2 56.715 23.821 3.124 1.00 1.00 C ATOM 20 O ASN A 2 56.190 24.560 2.316 1.00 1.00 O ATOM 21 CB ASN A 2 56.614 23.087 5.514 1.00 1.00 C ATOM 22 CG ASN A 2 55.132 22.725 5.396 1.00 1.00 C ATOM 23 OD1 ASN A 2 54.299 23.296 6.071 1.00 1.00 O ATOM 24 ND2 ASN A 2 54.766 21.792 4.560 1.00 1.00 N ATOM 0 H ASN A 2 56.483 26.139 5.473 1.00 1.00 H new ATOM 0 HA ASN A 2 57.973 24.553 4.707 1.00 1.00 H new ATOM 0 HB2 ASN A 2 57.231 22.225 5.261 1.00 1.00 H new ATOM 0 HB3 ASN A 2 56.852 23.358 6.543 1.00 1.00 H new ATOM 0 HD21 ASN A 2 53.781 21.543 4.474 1.00 1.00 H new ATOM 0 HD22 ASN A 2 55.465 21.312 3.993 1.00 1.00 H new ATOM 31 N LEU A 3 57.117 22.625 2.787 1.00 1.00 N ATOM 32 CA LEU A 3 56.935 22.142 1.389 1.00 1.00 C ATOM 33 C LEU A 3 55.513 21.605 1.217 1.00 1.00 C ATOM 34 O LEU A 3 54.815 21.349 2.178 1.00 1.00 O ATOM 35 CB LEU A 3 57.942 21.025 1.101 1.00 1.00 C ATOM 36 CG LEU A 3 59.320 21.634 0.836 1.00 1.00 C ATOM 37 CD1 LEU A 3 59.710 22.544 2.002 1.00 1.00 C ATOM 38 CD2 LEU A 3 60.353 20.514 0.697 1.00 1.00 C ATOM 0 H LEU A 3 57.564 21.962 3.420 1.00 1.00 H new ATOM 0 HA LEU A 3 57.098 22.966 0.694 1.00 1.00 H new ATOM 0 HB2 LEU A 3 57.992 20.340 1.947 1.00 1.00 H new ATOM 0 HB3 LEU A 3 57.618 20.443 0.238 1.00 1.00 H new ATOM 0 HG LEU A 3 59.288 22.217 -0.084 1.00 1.00 H new ATOM 0 HD11 LEU A 3 60.692 22.978 1.813 1.00 1.00 H new ATOM 0 HD12 LEU A 3 58.974 23.342 2.103 1.00 1.00 H new ATOM 0 HD13 LEU A 3 59.742 21.962 2.923 1.00 1.00 H new ATOM 0 HD21 LEU A 3 61.335 20.947 0.508 1.00 1.00 H new ATOM 0 HD22 LEU A 3 60.384 19.931 1.618 1.00 1.00 H new ATOM 0 HD23 LEU A 3 60.076 19.865 -0.134 1.00 1.00 H new ATOM 50 N GLU A 4 55.078 21.431 -0.001 1.00 1.00 N ATOM 51 CA GLU A 4 53.702 20.909 -0.233 1.00 1.00 C ATOM 52 C GLU A 4 53.608 19.474 0.300 1.00 1.00 C ATOM 53 O GLU A 4 54.585 18.754 0.322 1.00 1.00 O ATOM 54 CB GLU A 4 53.403 20.918 -1.735 1.00 1.00 C ATOM 55 CG GLU A 4 53.103 22.348 -2.188 1.00 1.00 C ATOM 56 CD GLU A 4 53.025 22.395 -3.715 1.00 1.00 C ATOM 57 OE1 GLU A 4 52.160 21.733 -4.265 1.00 1.00 O ATOM 58 OE2 GLU A 4 53.831 23.092 -4.309 1.00 1.00 O ATOM 0 H GLU A 4 55.616 21.628 -0.845 1.00 1.00 H new ATOM 0 HA GLU A 4 52.978 21.538 0.285 1.00 1.00 H new ATOM 0 HB2 GLU A 4 54.254 20.521 -2.288 1.00 1.00 H new ATOM 0 HB3 GLU A 4 52.553 20.271 -1.951 1.00 1.00 H new ATOM 0 HG2 GLU A 4 52.162 22.688 -1.755 1.00 1.00 H new ATOM 0 HG3 GLU A 4 53.881 23.024 -1.832 1.00 1.00 H new ATOM 65 N PRO A 5 52.440 19.059 0.724 1.00 1.00 N ATOM 66 CA PRO A 5 52.223 17.688 1.261 1.00 1.00 C ATOM 67 C PRO A 5 53.015 16.627 0.478 1.00 1.00 C ATOM 68 O PRO A 5 52.823 16.465 -0.711 1.00 1.00 O ATOM 69 CB PRO A 5 50.720 17.480 1.076 1.00 1.00 C ATOM 70 CG PRO A 5 50.123 18.846 1.184 1.00 1.00 C ATOM 71 CD PRO A 5 51.196 19.846 0.736 1.00 1.00 C ATOM 0 HA PRO A 5 52.559 17.589 2.293 1.00 1.00 H new ATOM 0 HB2 PRO A 5 50.500 17.029 0.108 1.00 1.00 H new ATOM 0 HB3 PRO A 5 50.317 16.812 1.838 1.00 1.00 H new ATOM 0 HG2 PRO A 5 49.235 18.928 0.558 1.00 1.00 H new ATOM 0 HG3 PRO A 5 49.811 19.050 2.208 1.00 1.00 H new ATOM 0 HD2 PRO A 5 50.973 20.254 -0.250 1.00 1.00 H new ATOM 0 HD3 PRO A 5 51.265 20.690 1.422 1.00 1.00 H new ATOM 79 N PRO A 6 53.898 15.908 1.131 1.00 1.00 N ATOM 80 CA PRO A 6 54.717 14.855 0.465 1.00 1.00 C ATOM 81 C PRO A 6 53.927 13.560 0.247 1.00 1.00 C ATOM 82 O PRO A 6 52.934 13.310 0.900 1.00 1.00 O ATOM 83 CB PRO A 6 55.869 14.628 1.445 1.00 1.00 C ATOM 84 CG PRO A 6 55.303 14.960 2.787 1.00 1.00 C ATOM 85 CD PRO A 6 54.214 16.017 2.565 1.00 1.00 C ATOM 0 HA PRO A 6 55.045 15.157 -0.530 1.00 1.00 H new ATOM 0 HB2 PRO A 6 56.221 13.597 1.409 1.00 1.00 H new ATOM 0 HB3 PRO A 6 56.721 15.265 1.207 1.00 1.00 H new ATOM 0 HG2 PRO A 6 54.887 14.071 3.261 1.00 1.00 H new ATOM 0 HG3 PRO A 6 56.080 15.340 3.450 1.00 1.00 H new ATOM 0 HD2 PRO A 6 53.337 15.822 3.183 1.00 1.00 H new ATOM 0 HD3 PRO A 6 54.569 17.015 2.821 1.00 1.00 H new ATOM 93 N LYS A 7 54.361 12.737 -0.668 1.00 1.00 N ATOM 94 CA LYS A 7 53.635 11.461 -0.927 1.00 1.00 C ATOM 95 C LYS A 7 53.998 10.438 0.151 1.00 1.00 C ATOM 96 O LYS A 7 54.619 9.430 -0.121 1.00 1.00 O ATOM 97 CB LYS A 7 54.035 10.917 -2.300 1.00 1.00 C ATOM 98 CG LYS A 7 53.937 12.034 -3.341 1.00 1.00 C ATOM 99 CD LYS A 7 54.317 11.485 -4.717 1.00 1.00 C ATOM 100 CE LYS A 7 54.539 12.647 -5.687 1.00 1.00 C ATOM 101 NZ LYS A 7 54.968 12.114 -7.011 1.00 1.00 N ATOM 0 H LYS A 7 55.186 12.893 -1.247 1.00 1.00 H new ATOM 0 HA LYS A 7 52.561 11.644 -0.906 1.00 1.00 H new ATOM 0 HB2 LYS A 7 55.052 10.526 -2.266 1.00 1.00 H new ATOM 0 HB3 LYS A 7 53.384 10.088 -2.578 1.00 1.00 H new ATOM 0 HG2 LYS A 7 52.924 12.435 -3.365 1.00 1.00 H new ATOM 0 HG3 LYS A 7 54.599 12.857 -3.071 1.00 1.00 H new ATOM 0 HD2 LYS A 7 55.222 10.882 -4.642 1.00 1.00 H new ATOM 0 HD3 LYS A 7 53.528 10.832 -5.090 1.00 1.00 H new ATOM 0 HE2 LYS A 7 53.621 13.224 -5.796 1.00 1.00 H new ATOM 0 HE3 LYS A 7 55.297 13.324 -5.293 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 55.119 12.904 -7.671 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 55.854 11.581 -6.900 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 54.230 11.485 -7.387 1.00 1.00 H new ATOM 115 N ALA A 8 53.615 10.689 1.373 1.00 1.00 N ATOM 116 CA ALA A 8 53.938 9.730 2.467 1.00 1.00 C ATOM 117 C ALA A 8 52.904 8.602 2.478 1.00 1.00 C ATOM 118 O ALA A 8 52.096 8.497 3.380 1.00 1.00 O ATOM 119 CB ALA A 8 53.909 10.460 3.811 1.00 1.00 C ATOM 0 H ALA A 8 53.093 11.516 1.661 1.00 1.00 H new ATOM 0 HA ALA A 8 54.931 9.312 2.302 1.00 1.00 H new ATOM 0 HB1 ALA A 8 54.145 9.759 4.611 1.00 1.00 H new ATOM 0 HB2 ALA A 8 54.645 11.264 3.804 1.00 1.00 H new ATOM 0 HB3 ALA A 8 52.916 10.878 3.977 1.00 1.00 H new ATOM 125 N GLU A 9 52.922 7.758 1.483 1.00 1.00 N ATOM 126 CA GLU A 9 51.939 6.639 1.438 1.00 1.00 C ATOM 127 C GLU A 9 52.389 5.609 0.399 1.00 1.00 C ATOM 128 O GLU A 9 52.814 4.520 0.733 1.00 1.00 O ATOM 129 CB GLU A 9 50.560 7.186 1.056 1.00 1.00 C ATOM 130 CG GLU A 9 49.477 6.202 1.503 1.00 1.00 C ATOM 131 CD GLU A 9 49.660 4.873 0.768 1.00 1.00 C ATOM 132 OE1 GLU A 9 49.779 4.901 -0.446 1.00 1.00 O ATOM 133 OE2 GLU A 9 49.677 3.849 1.432 1.00 1.00 O ATOM 0 H GLU A 9 53.574 7.795 0.700 1.00 1.00 H new ATOM 0 HA GLU A 9 51.881 6.164 2.418 1.00 1.00 H new ATOM 0 HB2 GLU A 9 50.400 8.157 1.525 1.00 1.00 H new ATOM 0 HB3 GLU A 9 50.504 7.340 -0.022 1.00 1.00 H new ATOM 0 HG2 GLU A 9 49.535 6.045 2.580 1.00 1.00 H new ATOM 0 HG3 GLU A 9 48.489 6.612 1.294 1.00 1.00 H new ATOM 140 N CYS A 10 52.300 5.944 -0.860 1.00 1.00 N ATOM 141 CA CYS A 10 52.722 4.984 -1.919 1.00 1.00 C ATOM 142 C CYS A 10 52.033 3.637 -1.689 1.00 1.00 C ATOM 143 O CYS A 10 52.470 2.833 -0.889 1.00 1.00 O ATOM 144 CB CYS A 10 54.242 4.802 -1.865 1.00 1.00 C ATOM 145 SG CYS A 10 55.032 5.996 -2.973 1.00 1.00 S ATOM 0 H CYS A 10 51.953 6.841 -1.200 1.00 1.00 H new ATOM 0 HA CYS A 10 52.439 5.372 -2.898 1.00 1.00 H new ATOM 0 HB2 CYS A 10 54.600 4.944 -0.845 1.00 1.00 H new ATOM 0 HB3 CYS A 10 54.508 3.786 -2.158 1.00 1.00 H new ATOM 150 N ARG A 11 50.959 3.385 -2.385 1.00 1.00 N ATOM 151 CA ARG A 11 50.241 2.091 -2.209 1.00 1.00 C ATOM 152 C ARG A 11 50.971 0.996 -2.993 1.00 1.00 C ATOM 153 O ARG A 11 50.756 -0.181 -2.782 1.00 1.00 O ATOM 154 CB ARG A 11 48.802 2.236 -2.730 1.00 1.00 C ATOM 155 CG ARG A 11 47.848 1.453 -1.826 1.00 1.00 C ATOM 156 CD ARG A 11 48.182 -0.038 -1.900 1.00 1.00 C ATOM 157 NE ARG A 11 47.007 -0.834 -1.447 1.00 1.00 N ATOM 158 CZ ARG A 11 46.013 -1.053 -2.264 1.00 1.00 C ATOM 159 NH1 ARG A 11 46.048 -0.575 -3.477 1.00 1.00 N ATOM 160 NH2 ARG A 11 44.983 -1.750 -1.867 1.00 1.00 N ATOM 0 H ARG A 11 50.547 4.020 -3.069 1.00 1.00 H new ATOM 0 HA ARG A 11 50.217 1.821 -1.153 1.00 1.00 H new ATOM 0 HB2 ARG A 11 48.517 3.288 -2.752 1.00 1.00 H new ATOM 0 HB3 ARG A 11 48.736 1.866 -3.753 1.00 1.00 H new ATOM 0 HG2 ARG A 11 47.933 1.805 -0.798 1.00 1.00 H new ATOM 0 HG3 ARG A 11 46.817 1.621 -2.136 1.00 1.00 H new ATOM 0 HD2 ARG A 11 48.448 -0.312 -2.921 1.00 1.00 H new ATOM 0 HD3 ARG A 11 49.047 -0.259 -1.275 1.00 1.00 H new ATOM 0 HE ARG A 11 46.979 -1.208 -0.498 1.00 1.00 H new ATOM 0 HH11 ARG A 11 46.852 -0.030 -3.787 1.00 1.00 H new ATOM 0 HH12 ARG A 11 45.271 -0.746 -4.115 1.00 1.00 H new ATOM 0 HH21 ARG A 11 44.955 -2.123 -0.918 1.00 1.00 H new ATOM 0 HH22 ARG A 11 44.206 -1.921 -2.506 1.00 1.00 H new ATOM 174 N SER A 12 51.833 1.375 -3.897 1.00 1.00 N ATOM 175 CA SER A 12 52.576 0.357 -4.694 1.00 1.00 C ATOM 176 C SER A 12 53.123 -0.726 -3.761 1.00 1.00 C ATOM 177 O SER A 12 53.056 -1.903 -4.054 1.00 1.00 O ATOM 178 CB SER A 12 53.736 1.031 -5.427 1.00 1.00 C ATOM 179 OG SER A 12 53.219 1.892 -6.432 1.00 1.00 O ATOM 0 H SER A 12 52.055 2.346 -4.118 1.00 1.00 H new ATOM 0 HA SER A 12 51.901 -0.097 -5.420 1.00 1.00 H new ATOM 0 HB2 SER A 12 54.345 1.599 -4.724 1.00 1.00 H new ATOM 0 HB3 SER A 12 54.385 0.278 -5.875 1.00 1.00 H new ATOM 0 HG SER A 12 53.960 2.327 -6.903 1.00 1.00 H new ATOM 185 N ALA A 13 53.665 -0.337 -2.639 1.00 1.00 N ATOM 186 CA ALA A 13 54.215 -1.345 -1.690 1.00 1.00 C ATOM 187 C ALA A 13 53.139 -2.384 -1.369 1.00 1.00 C ATOM 188 O ALA A 13 52.005 -2.267 -1.791 1.00 1.00 O ATOM 189 CB ALA A 13 54.650 -0.647 -0.400 1.00 1.00 C ATOM 0 H ALA A 13 53.750 0.634 -2.339 1.00 1.00 H new ATOM 0 HA ALA A 13 55.074 -1.840 -2.143 1.00 1.00 H new ATOM 0 HB1 ALA A 13 55.052 -1.384 0.295 1.00 1.00 H new ATOM 0 HB2 ALA A 13 55.417 0.094 -0.628 1.00 1.00 H new ATOM 0 HB3 ALA A 13 53.791 -0.152 0.053 1.00 1.00 H new ATOM 195 N THR A 14 53.483 -3.401 -0.627 1.00 1.00 N ATOM 196 CA THR A 14 52.478 -4.445 -0.280 1.00 1.00 C ATOM 197 C THR A 14 52.925 -5.185 0.983 1.00 1.00 C ATOM 198 O THR A 14 52.500 -4.872 2.077 1.00 1.00 O ATOM 199 CB THR A 14 52.355 -5.439 -1.438 1.00 1.00 C ATOM 200 OG1 THR A 14 52.009 -4.740 -2.625 1.00 1.00 O ATOM 201 CG2 THR A 14 51.272 -6.470 -1.116 1.00 1.00 C ATOM 0 H THR A 14 54.417 -3.554 -0.246 1.00 1.00 H new ATOM 0 HA THR A 14 51.512 -3.974 -0.101 1.00 1.00 H new ATOM 0 HB THR A 14 53.307 -5.950 -1.581 1.00 1.00 H new ATOM 0 HG1 THR A 14 51.605 -3.878 -2.391 1.00 1.00 H new ATOM 0 HG21 THR A 14 51.186 -7.177 -1.941 1.00 1.00 H new ATOM 0 HG22 THR A 14 51.539 -7.006 -0.205 1.00 1.00 H new ATOM 0 HG23 THR A 14 50.318 -5.963 -0.972 1.00 1.00 H new ATOM 209 N ARG A 15 53.780 -6.164 0.839 1.00 1.00 N ATOM 210 CA ARG A 15 54.258 -6.928 2.029 1.00 1.00 C ATOM 211 C ARG A 15 55.725 -6.589 2.297 1.00 1.00 C ATOM 212 O ARG A 15 56.334 -7.104 3.214 1.00 1.00 O ATOM 213 CB ARG A 15 54.124 -8.428 1.756 1.00 1.00 C ATOM 214 CG ARG A 15 54.816 -8.770 0.435 1.00 1.00 C ATOM 215 CD ARG A 15 54.630 -10.258 0.131 1.00 1.00 C ATOM 216 NE ARG A 15 55.358 -10.604 -1.122 1.00 1.00 N ATOM 217 CZ ARG A 15 54.849 -10.288 -2.281 1.00 1.00 C ATOM 218 NH1 ARG A 15 53.701 -9.670 -2.343 1.00 1.00 N ATOM 219 NH2 ARG A 15 55.487 -10.591 -3.379 1.00 1.00 N ATOM 0 H ARG A 15 54.169 -6.468 -0.054 1.00 1.00 H new ATOM 0 HA ARG A 15 53.659 -6.660 2.899 1.00 1.00 H new ATOM 0 HB2 ARG A 15 54.570 -8.998 2.571 1.00 1.00 H new ATOM 0 HB3 ARG A 15 53.071 -8.708 1.711 1.00 1.00 H new ATOM 0 HG2 ARG A 15 54.399 -8.168 -0.373 1.00 1.00 H new ATOM 0 HG3 ARG A 15 55.878 -8.530 0.496 1.00 1.00 H new ATOM 0 HD2 ARG A 15 55.005 -10.859 0.960 1.00 1.00 H new ATOM 0 HD3 ARG A 15 53.570 -10.488 0.024 1.00 1.00 H new ATOM 0 HE ARG A 15 56.255 -11.088 -1.074 1.00 1.00 H new ATOM 0 HH11 ARG A 15 53.202 -9.434 -1.485 1.00 1.00 H new ATOM 0 HH12 ARG A 15 53.303 -9.423 -3.249 1.00 1.00 H new ATOM 0 HH21 ARG A 15 56.384 -11.075 -3.331 1.00 1.00 H new ATOM 0 HH22 ARG A 15 55.089 -10.344 -4.285 1.00 1.00 H new ATOM 233 N VAL A 16 56.299 -5.727 1.504 1.00 1.00 N ATOM 234 CA VAL A 16 57.727 -5.355 1.714 1.00 1.00 C ATOM 235 C VAL A 16 57.817 -4.251 2.769 1.00 1.00 C ATOM 236 O VAL A 16 58.485 -3.253 2.583 1.00 1.00 O ATOM 237 CB VAL A 16 58.321 -4.853 0.396 1.00 1.00 C ATOM 238 CG1 VAL A 16 59.848 -4.864 0.486 1.00 1.00 C ATOM 239 CG2 VAL A 16 57.872 -5.768 -0.745 1.00 1.00 C ATOM 0 H VAL A 16 55.841 -5.264 0.719 1.00 1.00 H new ATOM 0 HA VAL A 16 58.284 -6.228 2.055 1.00 1.00 H new ATOM 0 HB VAL A 16 57.976 -3.837 0.206 1.00 1.00 H new ATOM 0 HG11 VAL A 16 60.270 -4.506 -0.453 1.00 1.00 H new ATOM 0 HG12 VAL A 16 60.169 -4.213 1.299 1.00 1.00 H new ATOM 0 HG13 VAL A 16 60.194 -5.880 0.676 1.00 1.00 H new ATOM 0 HG21 VAL A 16 58.294 -5.412 -1.685 1.00 1.00 H new ATOM 0 HG22 VAL A 16 58.217 -6.784 -0.554 1.00 1.00 H new ATOM 0 HG23 VAL A 16 56.784 -5.761 -0.810 1.00 1.00 H new ATOM 249 N MET A 17 57.148 -4.420 3.877 1.00 1.00 N ATOM 250 CA MET A 17 57.196 -3.379 4.942 1.00 1.00 C ATOM 251 C MET A 17 56.506 -3.906 6.203 1.00 1.00 C ATOM 252 O MET A 17 55.555 -4.659 6.134 1.00 1.00 O ATOM 253 CB MET A 17 56.476 -2.118 4.457 1.00 1.00 C ATOM 254 CG MET A 17 56.819 -0.947 5.379 1.00 1.00 C ATOM 255 SD MET A 17 58.504 -0.381 5.036 1.00 1.00 S ATOM 256 CE MET A 17 58.415 1.172 5.961 1.00 1.00 C ATOM 0 H MET A 17 56.571 -5.233 4.090 1.00 1.00 H new ATOM 0 HA MET A 17 58.235 -3.140 5.169 1.00 1.00 H new ATOM 0 HB2 MET A 17 56.773 -1.888 3.434 1.00 1.00 H new ATOM 0 HB3 MET A 17 55.399 -2.283 4.447 1.00 1.00 H new ATOM 0 HG2 MET A 17 56.112 -0.131 5.227 1.00 1.00 H new ATOM 0 HG3 MET A 17 56.732 -1.254 6.421 1.00 1.00 H new ATOM 0 HE1 MET A 17 59.423 1.546 6.142 1.00 1.00 H new ATOM 0 HE2 MET A 17 57.853 1.907 5.385 1.00 1.00 H new ATOM 0 HE3 MET A 17 57.915 1.000 6.914 1.00 1.00 H new ATOM 266 N GLY A 18 56.979 -3.515 7.356 1.00 1.00 N ATOM 267 CA GLY A 18 56.351 -3.991 8.623 1.00 1.00 C ATOM 268 C GLY A 18 57.022 -5.290 9.073 1.00 1.00 C ATOM 269 O GLY A 18 58.040 -5.691 8.544 1.00 1.00 O ATOM 0 H GLY A 18 57.773 -2.886 7.475 1.00 1.00 H new ATOM 0 HA2 GLY A 18 56.451 -3.231 9.398 1.00 1.00 H new ATOM 0 HA3 GLY A 18 55.284 -4.154 8.473 1.00 1.00 H new ATOM 273 N GLY A 19 56.459 -5.953 10.047 1.00 1.00 N ATOM 274 CA GLY A 19 57.061 -7.227 10.533 1.00 1.00 C ATOM 275 C GLY A 19 58.153 -6.920 11.561 1.00 1.00 C ATOM 276 O GLY A 19 58.591 -5.794 11.694 1.00 1.00 O ATOM 0 H GLY A 19 55.606 -5.666 10.528 1.00 1.00 H new ATOM 0 HA2 GLY A 19 56.292 -7.856 10.981 1.00 1.00 H new ATOM 0 HA3 GLY A 19 57.482 -7.785 9.696 1.00 1.00 H new ATOM 280 N PRO A 20 58.590 -7.919 12.282 1.00 1.00 N ATOM 281 CA PRO A 20 59.650 -7.764 13.316 1.00 1.00 C ATOM 282 C PRO A 20 60.788 -6.850 12.848 1.00 1.00 C ATOM 283 O PRO A 20 61.661 -7.261 12.110 1.00 1.00 O ATOM 284 CB PRO A 20 60.155 -9.193 13.520 1.00 1.00 C ATOM 285 CG PRO A 20 58.986 -10.067 13.205 1.00 1.00 C ATOM 286 CD PRO A 20 58.122 -9.312 12.190 1.00 1.00 C ATOM 0 HA PRO A 20 59.271 -7.299 14.226 1.00 1.00 H new ATOM 0 HB2 PRO A 20 60.998 -9.411 12.864 1.00 1.00 H new ATOM 0 HB3 PRO A 20 60.499 -9.348 14.543 1.00 1.00 H new ATOM 0 HG2 PRO A 20 59.317 -11.021 12.795 1.00 1.00 H new ATOM 0 HG3 PRO A 20 58.416 -10.288 14.107 1.00 1.00 H new ATOM 0 HD2 PRO A 20 58.251 -9.710 11.183 1.00 1.00 H new ATOM 0 HD3 PRO A 20 57.062 -9.393 12.431 1.00 1.00 H new ATOM 294 N CYS A 21 60.782 -5.615 13.272 1.00 1.00 N ATOM 295 CA CYS A 21 61.861 -4.674 12.853 1.00 1.00 C ATOM 296 C CYS A 21 62.310 -3.844 14.057 1.00 1.00 C ATOM 297 O CYS A 21 61.514 -3.203 14.714 1.00 1.00 O ATOM 298 CB CYS A 21 61.330 -3.742 11.762 1.00 1.00 C ATOM 299 SG CYS A 21 62.707 -2.821 11.033 1.00 1.00 S ATOM 0 H CYS A 21 60.076 -5.217 13.891 1.00 1.00 H new ATOM 0 HA CYS A 21 62.707 -5.242 12.466 1.00 1.00 H new ATOM 0 HB2 CYS A 21 60.817 -4.320 10.993 1.00 1.00 H new ATOM 0 HB3 CYS A 21 60.599 -3.052 12.183 1.00 1.00 H new ATOM 304 N THR A 22 63.582 -3.853 14.351 1.00 1.00 N ATOM 305 CA THR A 22 64.092 -3.067 15.511 1.00 1.00 C ATOM 306 C THR A 22 65.466 -2.481 15.161 1.00 1.00 C ATOM 307 O THR A 22 66.472 -3.153 15.266 1.00 1.00 O ATOM 308 CB THR A 22 64.232 -3.991 16.723 1.00 1.00 C ATOM 309 OG1 THR A 22 64.950 -5.157 16.346 1.00 1.00 O ATOM 310 CG2 THR A 22 62.844 -4.385 17.230 1.00 1.00 C ATOM 0 H THR A 22 64.292 -4.373 13.836 1.00 1.00 H new ATOM 0 HA THR A 22 63.397 -2.260 15.742 1.00 1.00 H new ATOM 0 HB THR A 22 64.771 -3.472 17.516 1.00 1.00 H new ATOM 0 HG1 THR A 22 65.768 -4.899 15.872 1.00 1.00 H new ATOM 0 HG21 THR A 22 62.945 -5.043 18.093 1.00 1.00 H new ATOM 0 HG22 THR A 22 62.294 -3.489 17.519 1.00 1.00 H new ATOM 0 HG23 THR A 22 62.302 -4.904 16.440 1.00 1.00 H new ATOM 318 N PRO A 23 65.512 -1.238 14.748 1.00 1.00 N ATOM 319 CA PRO A 23 66.793 -0.565 14.381 1.00 1.00 C ATOM 320 C PRO A 23 67.865 -0.727 15.465 1.00 1.00 C ATOM 321 O PRO A 23 67.607 -1.246 16.533 1.00 1.00 O ATOM 322 CB PRO A 23 66.401 0.908 14.224 1.00 1.00 C ATOM 323 CG PRO A 23 64.946 0.890 13.891 1.00 1.00 C ATOM 324 CD PRO A 23 64.356 -0.342 14.582 1.00 1.00 C ATOM 0 HA PRO A 23 67.232 -0.994 13.480 1.00 1.00 H new ATOM 0 HB2 PRO A 23 66.589 1.466 15.142 1.00 1.00 H new ATOM 0 HB3 PRO A 23 66.980 1.388 13.435 1.00 1.00 H new ATOM 0 HG2 PRO A 23 64.458 1.800 14.238 1.00 1.00 H new ATOM 0 HG3 PRO A 23 64.796 0.839 12.813 1.00 1.00 H new ATOM 0 HD2 PRO A 23 63.907 -0.086 15.542 1.00 1.00 H new ATOM 0 HD3 PRO A 23 63.575 -0.804 13.978 1.00 1.00 H new ATOM 332 N ARG A 24 69.065 -0.285 15.197 1.00 1.00 N ATOM 333 CA ARG A 24 70.155 -0.410 16.208 1.00 1.00 C ATOM 334 C ARG A 24 71.035 0.840 16.161 1.00 1.00 C ATOM 335 O ARG A 24 71.727 1.088 15.194 1.00 1.00 O ATOM 336 CB ARG A 24 71.007 -1.643 15.892 1.00 1.00 C ATOM 337 CG ARG A 24 70.134 -2.898 15.954 1.00 1.00 C ATOM 338 CD ARG A 24 71.027 -4.139 16.014 1.00 1.00 C ATOM 339 NE ARG A 24 71.909 -4.175 14.814 1.00 1.00 N ATOM 340 CZ ARG A 24 71.454 -4.644 13.684 1.00 1.00 C ATOM 341 NH1 ARG A 24 70.227 -5.082 13.606 1.00 1.00 N ATOM 342 NH2 ARG A 24 72.226 -4.676 12.633 1.00 1.00 N ATOM 0 H ARG A 24 69.338 0.158 14.320 1.00 1.00 H new ATOM 0 HA ARG A 24 69.719 -0.514 17.202 1.00 1.00 H new ATOM 0 HB2 ARG A 24 71.453 -1.546 14.902 1.00 1.00 H new ATOM 0 HB3 ARG A 24 71.828 -1.723 16.605 1.00 1.00 H new ATOM 0 HG2 ARG A 24 69.486 -2.860 16.830 1.00 1.00 H new ATOM 0 HG3 ARG A 24 69.485 -2.946 15.080 1.00 1.00 H new ATOM 0 HD2 ARG A 24 71.630 -4.122 16.922 1.00 1.00 H new ATOM 0 HD3 ARG A 24 70.414 -5.039 16.055 1.00 1.00 H new ATOM 0 HE ARG A 24 72.868 -3.833 14.875 1.00 1.00 H new ATOM 0 HH11 ARG A 24 69.624 -5.058 14.428 1.00 1.00 H new ATOM 0 HH12 ARG A 24 69.871 -5.448 12.723 1.00 1.00 H new ATOM 0 HH21 ARG A 24 73.185 -4.335 12.694 1.00 1.00 H new ATOM 0 HH22 ARG A 24 71.870 -5.043 11.750 1.00 1.00 H new ATOM 356 N LYS A 25 71.013 1.632 17.198 1.00 1.00 N ATOM 357 CA LYS A 25 71.847 2.867 17.210 1.00 1.00 C ATOM 358 C LYS A 25 71.561 3.683 15.948 1.00 1.00 C ATOM 359 O LYS A 25 72.378 4.466 15.505 1.00 1.00 O ATOM 360 CB LYS A 25 73.330 2.486 17.245 1.00 1.00 C ATOM 361 CG LYS A 25 73.581 1.504 18.391 1.00 1.00 C ATOM 362 CD LYS A 25 73.568 2.257 19.722 1.00 1.00 C ATOM 363 CE LYS A 25 74.095 1.345 20.831 1.00 1.00 C ATOM 364 NZ LYS A 25 74.244 2.128 22.090 1.00 1.00 N ATOM 0 H LYS A 25 70.454 1.477 18.037 1.00 1.00 H new ATOM 0 HA LYS A 25 71.606 3.460 18.092 1.00 1.00 H new ATOM 0 HB2 LYS A 25 73.623 2.036 16.296 1.00 1.00 H new ATOM 0 HB3 LYS A 25 73.942 3.378 17.377 1.00 1.00 H new ATOM 0 HG2 LYS A 25 72.816 0.728 18.393 1.00 1.00 H new ATOM 0 HG3 LYS A 25 74.540 1.005 18.253 1.00 1.00 H new ATOM 0 HD2 LYS A 25 74.184 3.153 19.651 1.00 1.00 H new ATOM 0 HD3 LYS A 25 72.555 2.584 19.957 1.00 1.00 H new ATOM 0 HE2 LYS A 25 73.410 0.512 20.987 1.00 1.00 H new ATOM 0 HE3 LYS A 25 75.055 0.918 20.540 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 74.602 1.508 22.844 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 74.914 2.909 21.936 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 73.320 2.515 22.370 1.00 1.00 H new ATOM 378 N GLY A 26 70.407 3.504 15.365 1.00 1.00 N ATOM 379 CA GLY A 26 70.068 4.268 14.131 1.00 1.00 C ATOM 380 C GLY A 26 71.113 3.983 13.049 1.00 1.00 C ATOM 381 O GLY A 26 72.162 3.433 13.321 1.00 1.00 O ATOM 0 H GLY A 26 69.684 2.862 15.690 1.00 1.00 H new ATOM 0 HA2 GLY A 26 69.077 3.986 13.777 1.00 1.00 H new ATOM 0 HA3 GLY A 26 70.037 5.336 14.349 1.00 1.00 H new ATOM 385 N PRO A 27 70.828 4.357 11.829 1.00 1.00 N ATOM 386 CA PRO A 27 71.757 4.141 10.684 1.00 1.00 C ATOM 387 C PRO A 27 73.207 4.503 11.040 1.00 1.00 C ATOM 388 O PRO A 27 73.453 5.260 11.957 1.00 1.00 O ATOM 389 CB PRO A 27 71.217 5.082 9.604 1.00 1.00 C ATOM 390 CG PRO A 27 69.759 5.220 9.897 1.00 1.00 C ATOM 391 CD PRO A 27 69.588 5.029 11.407 1.00 1.00 C ATOM 0 HA PRO A 27 71.791 3.096 10.375 1.00 1.00 H new ATOM 0 HB2 PRO A 27 71.719 6.049 9.638 1.00 1.00 H new ATOM 0 HB3 PRO A 27 71.381 4.673 8.607 1.00 1.00 H new ATOM 0 HG2 PRO A 27 69.394 6.200 9.588 1.00 1.00 H new ATOM 0 HG3 PRO A 27 69.182 4.477 9.346 1.00 1.00 H new ATOM 0 HD2 PRO A 27 69.459 5.984 11.917 1.00 1.00 H new ATOM 0 HD3 PRO A 27 68.710 4.425 11.635 1.00 1.00 H new ATOM 399 N PRO A 28 74.159 3.969 10.317 1.00 1.00 N ATOM 400 CA PRO A 28 75.602 4.246 10.561 1.00 1.00 C ATOM 401 C PRO A 28 75.867 5.728 10.852 1.00 1.00 C ATOM 402 O PRO A 28 75.070 6.586 10.528 1.00 1.00 O ATOM 403 CB PRO A 28 76.271 3.827 9.251 1.00 1.00 C ATOM 404 CG PRO A 28 75.387 2.763 8.686 1.00 1.00 C ATOM 405 CD PRO A 28 73.967 3.045 9.187 1.00 1.00 C ATOM 0 HA PRO A 28 75.979 3.713 11.434 1.00 1.00 H new ATOM 0 HB2 PRO A 28 76.360 4.670 8.566 1.00 1.00 H new ATOM 0 HB3 PRO A 28 77.279 3.451 9.426 1.00 1.00 H new ATOM 0 HG2 PRO A 28 75.420 2.773 7.597 1.00 1.00 H new ATOM 0 HG3 PRO A 28 75.720 1.776 9.006 1.00 1.00 H new ATOM 0 HD2 PRO A 28 73.351 3.493 8.407 1.00 1.00 H new ATOM 0 HD3 PRO A 28 73.467 2.129 9.502 1.00 1.00 H new ATOM 413 N LYS A 29 76.982 6.034 11.459 1.00 1.00 N ATOM 414 CA LYS A 29 77.300 7.458 11.768 1.00 1.00 C ATOM 415 C LYS A 29 78.126 8.054 10.627 1.00 1.00 C ATOM 416 O LYS A 29 79.336 7.946 10.602 1.00 1.00 O ATOM 417 CB LYS A 29 78.101 7.530 13.070 1.00 1.00 C ATOM 418 CG LYS A 29 77.231 7.049 14.233 1.00 1.00 C ATOM 419 CD LYS A 29 78.117 6.741 15.441 1.00 1.00 C ATOM 420 CE LYS A 29 78.592 5.289 15.371 1.00 1.00 C ATOM 421 NZ LYS A 29 79.752 5.100 16.286 1.00 1.00 N ATOM 0 H LYS A 29 77.687 5.359 11.755 1.00 1.00 H new ATOM 0 HA LYS A 29 76.374 8.022 11.880 1.00 1.00 H new ATOM 0 HB2 LYS A 29 78.996 6.913 12.993 1.00 1.00 H new ATOM 0 HB3 LYS A 29 78.433 8.553 13.249 1.00 1.00 H new ATOM 0 HG2 LYS A 29 76.497 7.812 14.492 1.00 1.00 H new ATOM 0 HG3 LYS A 29 76.675 6.159 13.941 1.00 1.00 H new ATOM 0 HD2 LYS A 29 78.974 7.414 15.457 1.00 1.00 H new ATOM 0 HD3 LYS A 29 77.562 6.909 16.364 1.00 1.00 H new ATOM 0 HE2 LYS A 29 77.781 4.616 15.651 1.00 1.00 H new ATOM 0 HE3 LYS A 29 78.877 5.037 14.349 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 80.075 4.112 16.238 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 80.527 5.732 15.999 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 79.466 5.324 17.260 1.00 1.00 H new ATOM 435 N CYS A 30 77.482 8.679 9.679 1.00 1.00 N ATOM 436 CA CYS A 30 78.231 9.279 8.538 1.00 1.00 C ATOM 437 C CYS A 30 78.809 10.632 8.960 1.00 1.00 C ATOM 438 O CYS A 30 79.479 10.746 9.966 1.00 1.00 O ATOM 439 CB CYS A 30 77.282 9.475 7.354 1.00 1.00 C ATOM 440 SG CYS A 30 78.246 9.710 5.841 1.00 1.00 S ATOM 0 H CYS A 30 76.470 8.800 9.645 1.00 1.00 H new ATOM 0 HA CYS A 30 79.044 8.614 8.247 1.00 1.00 H new ATOM 0 HB2 CYS A 30 76.628 8.609 7.251 1.00 1.00 H new ATOM 0 HB3 CYS A 30 76.641 10.339 7.527 1.00 1.00 H new ATOM 445 N LYS A 31 78.554 11.659 8.195 1.00 1.00 N ATOM 446 CA LYS A 31 79.087 13.006 8.547 1.00 1.00 C ATOM 447 C LYS A 31 80.603 12.917 8.748 1.00 1.00 C ATOM 448 O LYS A 31 81.216 13.802 9.311 1.00 1.00 O ATOM 449 CB LYS A 31 78.419 13.499 9.842 1.00 1.00 C ATOM 450 CG LYS A 31 77.334 14.523 9.502 1.00 1.00 C ATOM 451 CD LYS A 31 77.979 15.887 9.252 1.00 1.00 C ATOM 452 CE LYS A 31 78.566 16.423 10.559 1.00 1.00 C ATOM 453 NZ LYS A 31 80.033 16.162 10.588 1.00 1.00 N ATOM 0 H LYS A 31 77.999 11.623 7.340 1.00 1.00 H new ATOM 0 HA LYS A 31 78.871 13.707 7.741 1.00 1.00 H new ATOM 0 HB2 LYS A 31 77.983 12.658 10.381 1.00 1.00 H new ATOM 0 HB3 LYS A 31 79.164 13.948 10.499 1.00 1.00 H new ATOM 0 HG2 LYS A 31 76.781 14.203 8.619 1.00 1.00 H new ATOM 0 HG3 LYS A 31 76.616 14.593 10.319 1.00 1.00 H new ATOM 0 HD2 LYS A 31 78.762 15.798 8.499 1.00 1.00 H new ATOM 0 HD3 LYS A 31 77.239 16.585 8.861 1.00 1.00 H new ATOM 0 HE2 LYS A 31 78.374 17.493 10.645 1.00 1.00 H new ATOM 0 HE3 LYS A 31 78.083 15.943 11.411 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 80.298 15.773 11.515 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 80.279 15.479 9.843 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 80.547 17.051 10.426 1.00 1.00 H new ATOM 467 N GLN A 32 81.213 11.857 8.291 1.00 1.00 N ATOM 468 CA GLN A 32 82.688 11.718 8.458 1.00 1.00 C ATOM 469 C GLN A 32 83.178 10.497 7.675 1.00 1.00 C ATOM 470 O GLN A 32 83.995 9.732 8.147 1.00 1.00 O ATOM 471 CB GLN A 32 83.019 11.541 9.943 1.00 1.00 C ATOM 472 CG GLN A 32 84.496 11.863 10.179 1.00 1.00 C ATOM 473 CD GLN A 32 84.814 11.740 11.670 1.00 1.00 C ATOM 474 OE1 GLN A 32 84.928 10.648 12.191 1.00 1.00 O ATOM 475 NE2 GLN A 32 84.964 12.821 12.385 1.00 1.00 N ATOM 0 H GLN A 32 80.755 11.083 7.810 1.00 1.00 H new ATOM 0 HA GLN A 32 83.183 12.613 8.080 1.00 1.00 H new ATOM 0 HB2 GLN A 32 82.392 12.197 10.547 1.00 1.00 H new ATOM 0 HB3 GLN A 32 82.804 10.519 10.255 1.00 1.00 H new ATOM 0 HG2 GLN A 32 85.124 11.181 9.605 1.00 1.00 H new ATOM 0 HG3 GLN A 32 84.719 12.871 9.831 1.00 1.00 H new ATOM 0 HE21 GLN A 32 84.869 13.738 11.949 1.00 1.00 H new ATOM 0 HE22 GLN A 32 85.177 12.749 13.380 1.00 1.00 H new ATOM 484 N ARG A 33 82.686 10.309 6.481 1.00 1.00 N ATOM 485 CA ARG A 33 83.126 9.137 5.672 1.00 1.00 C ATOM 486 C ARG A 33 84.655 9.078 5.648 1.00 1.00 C ATOM 487 O ARG A 33 85.312 9.959 5.130 1.00 1.00 O ATOM 488 CB ARG A 33 82.599 9.278 4.240 1.00 1.00 C ATOM 489 CG ARG A 33 82.838 7.976 3.472 1.00 1.00 C ATOM 490 CD ARG A 33 81.517 7.216 3.333 1.00 1.00 C ATOM 491 NE ARG A 33 80.839 7.152 4.659 1.00 1.00 N ATOM 492 CZ ARG A 33 79.660 6.603 4.762 1.00 1.00 C ATOM 493 NH1 ARG A 33 79.074 6.111 3.705 1.00 1.00 N ATOM 494 NH2 ARG A 33 79.066 6.547 5.923 1.00 1.00 N ATOM 0 H ARG A 33 82.000 10.915 6.031 1.00 1.00 H new ATOM 0 HA ARG A 33 82.734 8.222 6.116 1.00 1.00 H new ATOM 0 HB2 ARG A 33 81.535 9.512 4.255 1.00 1.00 H new ATOM 0 HB3 ARG A 33 83.100 10.105 3.737 1.00 1.00 H new ATOM 0 HG2 ARG A 33 83.250 8.193 2.487 1.00 1.00 H new ATOM 0 HG3 ARG A 33 83.570 7.361 3.996 1.00 1.00 H new ATOM 0 HD2 ARG A 33 80.874 7.713 2.607 1.00 1.00 H new ATOM 0 HD3 ARG A 33 81.702 6.209 2.958 1.00 1.00 H new ATOM 0 HE ARG A 33 81.297 7.537 5.485 1.00 1.00 H new ATOM 0 HH11 ARG A 33 79.538 6.155 2.798 1.00 1.00 H new ATOM 0 HH12 ARG A 33 78.152 5.682 3.786 1.00 1.00 H new ATOM 0 HH21 ARG A 33 79.524 6.932 6.749 1.00 1.00 H new ATOM 0 HH22 ARG A 33 78.144 6.118 6.004 1.00 1.00 H new ATOM 508 N GLN A 34 85.226 8.046 6.205 1.00 1.00 N ATOM 509 CA GLN A 34 86.712 7.929 6.214 1.00 1.00 C ATOM 510 C GLN A 34 87.105 6.464 6.415 1.00 1.00 C ATOM 511 O GLN A 34 87.383 5.751 5.471 1.00 1.00 O ATOM 512 CB GLN A 34 87.284 8.779 7.353 1.00 1.00 C ATOM 513 CG GLN A 34 88.805 8.866 7.213 1.00 1.00 C ATOM 514 CD GLN A 34 89.163 9.922 6.166 1.00 1.00 C ATOM 515 OE1 GLN A 34 88.911 9.739 4.991 1.00 1.00 O ATOM 516 NE2 GLN A 34 89.743 11.028 6.544 1.00 1.00 N ATOM 0 H GLN A 34 84.728 7.278 6.655 1.00 1.00 H new ATOM 0 HA GLN A 34 87.113 8.283 5.264 1.00 1.00 H new ATOM 0 HB2 GLN A 34 86.849 9.778 7.329 1.00 1.00 H new ATOM 0 HB3 GLN A 34 87.022 8.340 8.315 1.00 1.00 H new ATOM 0 HG2 GLN A 34 89.255 9.123 8.172 1.00 1.00 H new ATOM 0 HG3 GLN A 34 89.210 7.897 6.920 1.00 1.00 H new ATOM 0 HE21 GLN A 34 89.955 11.182 7.530 1.00 1.00 H new ATOM 0 HE22 GLN A 34 89.985 11.739 5.854 1.00 1.00 H new ATOM 525 N THR A 35 87.129 6.009 7.637 1.00 1.00 N ATOM 526 CA THR A 35 87.502 4.589 7.899 1.00 1.00 C ATOM 527 C THR A 35 86.884 4.137 9.223 1.00 1.00 C ATOM 528 O THR A 35 87.477 3.386 9.972 1.00 1.00 O ATOM 529 CB THR A 35 89.027 4.465 7.982 1.00 1.00 C ATOM 530 OG1 THR A 35 89.535 5.465 8.853 1.00 1.00 O ATOM 531 CG2 THR A 35 89.632 4.644 6.589 1.00 1.00 C ATOM 0 H THR A 35 86.906 6.559 8.467 1.00 1.00 H new ATOM 0 HA THR A 35 87.131 3.962 7.088 1.00 1.00 H new ATOM 0 HB THR A 35 89.291 3.480 8.366 1.00 1.00 H new ATOM 0 HG1 THR A 35 90.510 5.386 8.908 1.00 1.00 H new ATOM 0 HG21 THR A 35 90.717 4.556 6.649 1.00 1.00 H new ATOM 0 HG22 THR A 35 89.242 3.876 5.921 1.00 1.00 H new ATOM 0 HG23 THR A 35 89.369 5.628 6.202 1.00 1.00 H new ATOM 539 N ARG A 36 85.694 4.588 9.519 1.00 1.00 N ATOM 540 CA ARG A 36 85.037 4.184 10.795 1.00 1.00 C ATOM 541 C ARG A 36 84.160 2.954 10.549 1.00 1.00 C ATOM 542 O ARG A 36 83.694 2.319 11.474 1.00 1.00 O ATOM 543 CB ARG A 36 84.167 5.334 11.311 1.00 1.00 C ATOM 544 CG ARG A 36 85.035 6.572 11.547 1.00 1.00 C ATOM 545 CD ARG A 36 84.980 7.476 10.314 1.00 1.00 C ATOM 546 NE ARG A 36 83.690 8.222 10.302 1.00 1.00 N ATOM 547 CZ ARG A 36 82.739 7.867 9.483 1.00 1.00 C ATOM 548 NH1 ARG A 36 82.917 6.859 8.673 1.00 1.00 N ATOM 549 NH2 ARG A 36 81.609 8.520 9.472 1.00 1.00 N ATOM 0 H ARG A 36 85.149 5.219 8.932 1.00 1.00 H new ATOM 0 HA ARG A 36 85.800 3.946 11.536 1.00 1.00 H new ATOM 0 HB2 ARG A 36 83.382 5.561 10.590 1.00 1.00 H new ATOM 0 HB3 ARG A 36 83.674 5.042 12.238 1.00 1.00 H new ATOM 0 HG2 ARG A 36 84.683 7.114 12.425 1.00 1.00 H new ATOM 0 HG3 ARG A 36 86.064 6.275 11.748 1.00 1.00 H new ATOM 0 HD2 ARG A 36 85.816 8.175 10.325 1.00 1.00 H new ATOM 0 HD3 ARG A 36 85.075 6.879 9.407 1.00 1.00 H new ATOM 0 HE ARG A 36 83.551 9.010 10.934 1.00 1.00 H new ATOM 0 HH11 ARG A 36 83.800 6.349 8.680 1.00 1.00 H new ATOM 0 HH12 ARG A 36 82.173 6.582 8.033 1.00 1.00 H new ATOM 0 HH21 ARG A 36 81.469 9.308 10.104 1.00 1.00 H new ATOM 0 HH22 ARG A 36 80.866 8.242 8.831 1.00 1.00 H new ATOM 563 N GLN A 37 83.932 2.616 9.307 1.00 1.00 N ATOM 564 CA GLN A 37 83.084 1.428 8.992 1.00 1.00 C ATOM 565 C GLN A 37 83.786 0.568 7.941 1.00 1.00 C ATOM 566 O GLN A 37 83.887 -0.636 8.076 1.00 1.00 O ATOM 567 CB GLN A 37 81.734 1.898 8.444 1.00 1.00 C ATOM 568 CG GLN A 37 80.893 0.683 8.046 1.00 1.00 C ATOM 569 CD GLN A 37 79.446 1.119 7.809 1.00 1.00 C ATOM 570 OE1 GLN A 37 79.199 2.178 7.266 1.00 1.00 O ATOM 571 NE2 GLN A 37 78.472 0.342 8.196 1.00 1.00 N ATOM 0 H GLN A 37 84.298 3.113 8.495 1.00 1.00 H new ATOM 0 HA GLN A 37 82.926 0.842 9.897 1.00 1.00 H new ATOM 0 HB2 GLN A 37 81.209 2.486 9.197 1.00 1.00 H new ATOM 0 HB3 GLN A 37 81.886 2.547 7.581 1.00 1.00 H new ATOM 0 HG2 GLN A 37 81.299 0.227 7.143 1.00 1.00 H new ATOM 0 HG3 GLN A 37 80.932 -0.073 8.831 1.00 1.00 H new ATOM 0 HE21 GLN A 37 78.679 -0.547 8.652 1.00 1.00 H new ATOM 0 HE22 GLN A 37 77.504 0.623 8.043 1.00 1.00 H new ATOM 580 N CYS A 38 84.273 1.174 6.893 1.00 1.00 N ATOM 581 CA CYS A 38 84.968 0.387 5.835 1.00 1.00 C ATOM 582 C CYS A 38 86.302 -0.130 6.381 1.00 1.00 C ATOM 583 O CYS A 38 87.252 0.613 6.530 1.00 1.00 O ATOM 584 CB CYS A 38 85.219 1.283 4.616 1.00 1.00 C ATOM 585 SG CYS A 38 84.537 0.493 3.137 1.00 1.00 S ATOM 0 H CYS A 38 84.220 2.178 6.724 1.00 1.00 H new ATOM 0 HA CYS A 38 84.347 -0.459 5.539 1.00 1.00 H new ATOM 0 HB2 CYS A 38 84.756 2.258 4.767 1.00 1.00 H new ATOM 0 HB3 CYS A 38 86.288 1.453 4.490 1.00 1.00 H new ATOM 590 N LYS A 39 86.379 -1.397 6.682 1.00 1.00 N ATOM 591 CA LYS A 39 87.650 -1.961 7.220 1.00 1.00 C ATOM 592 C LYS A 39 87.739 -3.446 6.865 1.00 1.00 C ATOM 593 O LYS A 39 86.762 -4.166 6.915 1.00 1.00 O ATOM 594 CB LYS A 39 87.676 -1.797 8.741 1.00 1.00 C ATOM 595 CG LYS A 39 86.455 -2.489 9.351 1.00 1.00 C ATOM 596 CD LYS A 39 86.417 -2.225 10.857 1.00 1.00 C ATOM 597 CE LYS A 39 87.253 -3.282 11.582 1.00 1.00 C ATOM 598 NZ LYS A 39 87.416 -2.891 13.011 1.00 1.00 N ATOM 0 H LYS A 39 85.617 -2.067 6.579 1.00 1.00 H new ATOM 0 HA LYS A 39 88.497 -1.432 6.783 1.00 1.00 H new ATOM 0 HB2 LYS A 39 88.591 -2.226 9.148 1.00 1.00 H new ATOM 0 HB3 LYS A 39 87.676 -0.739 9.003 1.00 1.00 H new ATOM 0 HG2 LYS A 39 85.543 -2.119 8.883 1.00 1.00 H new ATOM 0 HG3 LYS A 39 86.499 -3.561 9.160 1.00 1.00 H new ATOM 0 HD2 LYS A 39 86.804 -1.229 11.072 1.00 1.00 H new ATOM 0 HD3 LYS A 39 85.388 -2.251 11.216 1.00 1.00 H new ATOM 0 HE2 LYS A 39 86.767 -4.255 11.513 1.00 1.00 H new ATOM 0 HE3 LYS A 39 88.229 -3.378 11.106 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 87.984 -3.609 13.505 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 87.897 -1.971 13.066 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 86.481 -2.820 13.460 1.00 1.00 H new ATOM 612 N SER A 40 88.906 -3.911 6.508 1.00 1.00 N ATOM 613 CA SER A 40 89.059 -5.349 6.150 1.00 1.00 C ATOM 614 C SER A 40 90.507 -5.618 5.733 1.00 1.00 C ATOM 615 O SER A 40 91.329 -6.016 6.534 1.00 1.00 O ATOM 616 CB SER A 40 88.121 -5.690 4.990 1.00 1.00 C ATOM 617 OG SER A 40 88.079 -4.596 4.085 1.00 1.00 O ATOM 0 H SER A 40 89.760 -3.356 6.449 1.00 1.00 H new ATOM 0 HA SER A 40 88.808 -5.967 7.012 1.00 1.00 H new ATOM 0 HB2 SER A 40 88.468 -6.588 4.478 1.00 1.00 H new ATOM 0 HB3 SER A 40 87.121 -5.904 5.367 1.00 1.00 H new ATOM 0 HG SER A 40 87.480 -4.811 3.339 1.00 1.00 H new ATOM 623 N LYS A 41 90.822 -5.404 4.482 1.00 1.00 N ATOM 624 CA LYS A 41 92.215 -5.645 4.000 1.00 1.00 C ATOM 625 C LYS A 41 92.778 -4.343 3.417 1.00 1.00 C ATOM 626 O LYS A 41 92.040 -3.503 2.941 1.00 1.00 O ATOM 627 CB LYS A 41 92.189 -6.724 2.912 1.00 1.00 C ATOM 628 CG LYS A 41 92.118 -8.106 3.564 1.00 1.00 C ATOM 629 CD LYS A 41 91.996 -9.178 2.479 1.00 1.00 C ATOM 630 CE LYS A 41 91.720 -10.535 3.129 1.00 1.00 C ATOM 631 NZ LYS A 41 91.965 -11.620 2.138 1.00 1.00 N ATOM 0 H LYS A 41 90.172 -5.071 3.770 1.00 1.00 H new ATOM 0 HA LYS A 41 92.843 -5.975 4.827 1.00 1.00 H new ATOM 0 HB2 LYS A 41 91.330 -6.575 2.258 1.00 1.00 H new ATOM 0 HB3 LYS A 41 93.081 -6.649 2.290 1.00 1.00 H new ATOM 0 HG2 LYS A 41 93.010 -8.282 4.165 1.00 1.00 H new ATOM 0 HG3 LYS A 41 91.263 -8.158 4.239 1.00 1.00 H new ATOM 0 HD2 LYS A 41 91.191 -8.923 1.790 1.00 1.00 H new ATOM 0 HD3 LYS A 41 92.914 -9.224 1.893 1.00 1.00 H new ATOM 0 HE2 LYS A 41 92.362 -10.671 3.999 1.00 1.00 H new ATOM 0 HE3 LYS A 41 90.690 -10.578 3.484 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 91.777 -12.543 2.580 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 91.334 -11.493 1.321 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 92.955 -11.583 1.820 1.00 1.00 H new ATOM 645 N PRO A 42 94.077 -4.176 3.451 1.00 1.00 N ATOM 646 CA PRO A 42 94.743 -2.959 2.915 1.00 1.00 C ATOM 647 C PRO A 42 94.069 -2.448 1.633 1.00 1.00 C ATOM 648 O PRO A 42 93.417 -3.195 0.931 1.00 1.00 O ATOM 649 CB PRO A 42 96.164 -3.443 2.626 1.00 1.00 C ATOM 650 CG PRO A 42 96.417 -4.527 3.624 1.00 1.00 C ATOM 651 CD PRO A 42 95.056 -5.129 3.998 1.00 1.00 C ATOM 0 HA PRO A 42 94.698 -2.120 3.609 1.00 1.00 H new ATOM 0 HB2 PRO A 42 96.253 -3.817 1.606 1.00 1.00 H new ATOM 0 HB3 PRO A 42 96.886 -2.633 2.732 1.00 1.00 H new ATOM 0 HG2 PRO A 42 97.073 -5.290 3.205 1.00 1.00 H new ATOM 0 HG3 PRO A 42 96.916 -4.128 4.507 1.00 1.00 H new ATOM 0 HD2 PRO A 42 94.928 -6.122 3.568 1.00 1.00 H new ATOM 0 HD3 PRO A 42 94.950 -5.233 5.078 1.00 1.00 H new ATOM 659 N PRO A 43 94.224 -1.183 1.333 1.00 1.00 N ATOM 660 CA PRO A 43 93.618 -0.568 0.115 1.00 1.00 C ATOM 661 C PRO A 43 94.292 -1.053 -1.173 1.00 1.00 C ATOM 662 O PRO A 43 95.501 -1.144 -1.256 1.00 1.00 O ATOM 663 CB PRO A 43 93.848 0.935 0.311 1.00 1.00 C ATOM 664 CG PRO A 43 95.029 1.035 1.219 1.00 1.00 C ATOM 665 CD PRO A 43 94.994 -0.204 2.117 1.00 1.00 C ATOM 0 HA PRO A 43 92.567 -0.834 0.006 1.00 1.00 H new ATOM 0 HB2 PRO A 43 94.040 1.431 -0.640 1.00 1.00 H new ATOM 0 HB3 PRO A 43 92.972 1.413 0.750 1.00 1.00 H new ATOM 0 HG2 PRO A 43 95.956 1.073 0.647 1.00 1.00 H new ATOM 0 HG3 PRO A 43 94.984 1.947 1.814 1.00 1.00 H new ATOM 0 HD2 PRO A 43 95.998 -0.568 2.336 1.00 1.00 H new ATOM 0 HD3 PRO A 43 94.516 0.008 3.073 1.00 1.00 H new ATOM 673 N LYS A 44 93.519 -1.365 -2.177 1.00 1.00 N ATOM 674 CA LYS A 44 94.116 -1.842 -3.456 1.00 1.00 C ATOM 675 C LYS A 44 93.095 -1.676 -4.586 1.00 1.00 C ATOM 676 O LYS A 44 92.570 -0.602 -4.805 1.00 1.00 O ATOM 677 CB LYS A 44 94.502 -3.319 -3.318 1.00 1.00 C ATOM 678 CG LYS A 44 95.498 -3.693 -4.418 1.00 1.00 C ATOM 679 CD LYS A 44 96.042 -5.099 -4.157 1.00 1.00 C ATOM 680 CE LYS A 44 94.884 -6.098 -4.127 1.00 1.00 C ATOM 681 NZ LYS A 44 94.297 -6.137 -2.758 1.00 1.00 N ATOM 0 H LYS A 44 92.501 -1.310 -2.167 1.00 1.00 H new ATOM 0 HA LYS A 44 95.007 -1.257 -3.686 1.00 1.00 H new ATOM 0 HB2 LYS A 44 94.942 -3.500 -2.338 1.00 1.00 H new ATOM 0 HB3 LYS A 44 93.613 -3.946 -3.389 1.00 1.00 H new ATOM 0 HG2 LYS A 44 95.011 -3.655 -5.392 1.00 1.00 H new ATOM 0 HG3 LYS A 44 96.316 -2.974 -4.442 1.00 1.00 H new ATOM 0 HD2 LYS A 44 96.754 -5.375 -4.935 1.00 1.00 H new ATOM 0 HD3 LYS A 44 96.580 -5.122 -3.209 1.00 1.00 H new ATOM 0 HE2 LYS A 44 94.123 -5.811 -4.853 1.00 1.00 H new ATOM 0 HE3 LYS A 44 95.237 -7.089 -4.411 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 94.267 -7.120 -2.421 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 94.882 -5.568 -2.113 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 93.332 -5.750 -2.783 1.00 1.00 H new ATOM 695 N LYS A 45 92.808 -2.727 -5.305 1.00 1.00 N ATOM 696 CA LYS A 45 91.824 -2.623 -6.417 1.00 1.00 C ATOM 697 C LYS A 45 91.265 -4.011 -6.735 1.00 1.00 C ATOM 698 O LYS A 45 91.993 -4.981 -6.812 1.00 1.00 O ATOM 699 CB LYS A 45 92.518 -2.053 -7.657 1.00 1.00 C ATOM 700 CG LYS A 45 91.549 -2.062 -8.841 1.00 1.00 C ATOM 701 CD LYS A 45 91.898 -3.218 -9.779 1.00 1.00 C ATOM 702 CE LYS A 45 90.928 -3.228 -10.962 1.00 1.00 C ATOM 703 NZ LYS A 45 90.832 -1.856 -11.537 1.00 1.00 N ATOM 0 H LYS A 45 93.213 -3.653 -5.169 1.00 1.00 H new ATOM 0 HA LYS A 45 91.008 -1.964 -6.122 1.00 1.00 H new ATOM 0 HB2 LYS A 45 92.857 -1.036 -7.460 1.00 1.00 H new ATOM 0 HB3 LYS A 45 93.403 -2.644 -7.894 1.00 1.00 H new ATOM 0 HG2 LYS A 45 90.524 -2.166 -8.485 1.00 1.00 H new ATOM 0 HG3 LYS A 45 91.605 -1.115 -9.378 1.00 1.00 H new ATOM 0 HD2 LYS A 45 92.922 -3.113 -10.136 1.00 1.00 H new ATOM 0 HD3 LYS A 45 91.843 -4.165 -9.242 1.00 1.00 H new ATOM 0 HE2 LYS A 45 91.272 -3.929 -11.722 1.00 1.00 H new ATOM 0 HE3 LYS A 45 89.945 -3.567 -10.637 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 90.596 -1.919 -12.548 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 90.090 -1.323 -11.041 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 91.743 -1.368 -11.424 1.00 1.00 H new ATOM 717 N GLY A 46 89.978 -4.115 -6.922 1.00 1.00 N ATOM 718 CA GLY A 46 89.375 -5.441 -7.236 1.00 1.00 C ATOM 719 C GLY A 46 89.217 -6.251 -5.948 1.00 1.00 C ATOM 720 O GLY A 46 88.171 -6.254 -5.330 1.00 1.00 O ATOM 0 H GLY A 46 89.318 -3.339 -6.871 1.00 1.00 H new ATOM 0 HA2 GLY A 46 88.405 -5.306 -7.714 1.00 1.00 H new ATOM 0 HA3 GLY A 46 90.006 -5.981 -7.942 1.00 1.00 H new ATOM 724 N VAL A 47 90.247 -6.939 -5.539 1.00 1.00 N ATOM 725 CA VAL A 47 90.155 -7.749 -4.291 1.00 1.00 C ATOM 726 C VAL A 47 89.548 -6.899 -3.173 1.00 1.00 C ATOM 727 O VAL A 47 88.532 -7.243 -2.601 1.00 1.00 O ATOM 728 CB VAL A 47 91.554 -8.210 -3.878 1.00 1.00 C ATOM 729 CG1 VAL A 47 91.465 -9.015 -2.580 1.00 1.00 C ATOM 730 CG2 VAL A 47 92.146 -9.089 -4.982 1.00 1.00 C ATOM 0 H VAL A 47 91.149 -6.976 -6.015 1.00 1.00 H new ATOM 0 HA VAL A 47 89.523 -8.619 -4.469 1.00 1.00 H new ATOM 0 HB VAL A 47 92.192 -7.340 -3.722 1.00 1.00 H new ATOM 0 HG11 VAL A 47 92.462 -9.343 -2.286 1.00 1.00 H new ATOM 0 HG12 VAL A 47 91.042 -8.391 -1.793 1.00 1.00 H new ATOM 0 HG13 VAL A 47 90.827 -9.885 -2.735 1.00 1.00 H new ATOM 0 HG21 VAL A 47 93.143 -9.418 -4.689 1.00 1.00 H new ATOM 0 HG22 VAL A 47 91.507 -9.959 -5.136 1.00 1.00 H new ATOM 0 HG23 VAL A 47 92.210 -8.517 -5.908 1.00 1.00 H new ATOM 740 N GLN A 48 90.162 -5.792 -2.856 1.00 1.00 N ATOM 741 CA GLN A 48 89.619 -4.922 -1.774 1.00 1.00 C ATOM 742 C GLN A 48 88.415 -4.141 -2.305 1.00 1.00 C ATOM 743 O GLN A 48 87.280 -4.439 -1.989 1.00 1.00 O ATOM 744 CB GLN A 48 90.704 -3.944 -1.314 1.00 1.00 C ATOM 745 CG GLN A 48 90.312 -3.343 0.037 1.00 1.00 C ATOM 746 CD GLN A 48 89.112 -2.412 -0.147 1.00 1.00 C ATOM 747 OE1 GLN A 48 87.984 -2.802 0.081 1.00 1.00 O ATOM 748 NE2 GLN A 48 89.309 -1.187 -0.553 1.00 1.00 N ATOM 0 H GLN A 48 91.016 -5.452 -3.299 1.00 1.00 H new ATOM 0 HA GLN A 48 89.307 -5.539 -0.931 1.00 1.00 H new ATOM 0 HB2 GLN A 48 91.661 -4.459 -1.231 1.00 1.00 H new ATOM 0 HB3 GLN A 48 90.832 -3.153 -2.053 1.00 1.00 H new ATOM 0 HG2 GLN A 48 90.065 -4.137 0.742 1.00 1.00 H new ATOM 0 HG3 GLN A 48 91.152 -2.792 0.459 1.00 1.00 H new ATOM 0 HE21 GLN A 48 90.256 -0.859 -0.744 1.00 1.00 H new ATOM 0 HE22 GLN A 48 88.516 -0.558 -0.679 1.00 1.00 H new ATOM 757 N GLY A 49 88.652 -3.141 -3.110 1.00 1.00 N ATOM 758 CA GLY A 49 87.520 -2.342 -3.659 1.00 1.00 C ATOM 759 C GLY A 49 87.997 -1.549 -4.877 1.00 1.00 C ATOM 760 O GLY A 49 88.113 -2.076 -5.966 1.00 1.00 O ATOM 0 H GLY A 49 89.580 -2.843 -3.411 1.00 1.00 H new ATOM 0 HA2 GLY A 49 86.699 -3.001 -3.940 1.00 1.00 H new ATOM 0 HA3 GLY A 49 87.137 -1.663 -2.897 1.00 1.00 H new ATOM 764 N CYS A 50 88.274 -0.286 -4.704 1.00 1.00 N ATOM 765 CA CYS A 50 88.742 0.539 -5.853 1.00 1.00 C ATOM 766 C CYS A 50 89.412 1.811 -5.329 1.00 1.00 C ATOM 767 O CYS A 50 90.377 2.292 -5.890 1.00 1.00 O ATOM 768 CB CYS A 50 87.546 0.916 -6.730 1.00 1.00 C ATOM 769 SG CYS A 50 86.545 2.163 -5.883 1.00 1.00 S ATOM 0 H CYS A 50 88.196 0.210 -3.816 1.00 1.00 H new ATOM 0 HA CYS A 50 89.459 -0.032 -6.442 1.00 1.00 H new ATOM 0 HB2 CYS A 50 87.892 1.302 -7.689 1.00 1.00 H new ATOM 0 HB3 CYS A 50 86.943 0.033 -6.941 1.00 1.00 H new ATOM 774 N GLY A 51 88.908 2.360 -4.258 1.00 1.00 N ATOM 775 CA GLY A 51 89.516 3.601 -3.700 1.00 1.00 C ATOM 776 C GLY A 51 89.100 4.801 -4.553 1.00 1.00 C ATOM 777 O GLY A 51 89.927 5.495 -5.110 1.00 1.00 O ATOM 0 H GLY A 51 88.102 2.003 -3.745 1.00 1.00 H new ATOM 0 HA2 GLY A 51 89.193 3.745 -2.669 1.00 1.00 H new ATOM 0 HA3 GLY A 51 90.602 3.511 -3.685 1.00 1.00 H new ATOM 781 N ASP A 52 87.824 5.051 -4.659 1.00 1.00 N ATOM 782 CA ASP A 52 87.355 6.206 -5.476 1.00 1.00 C ATOM 783 C ASP A 52 87.665 7.511 -4.740 1.00 1.00 C ATOM 784 O ASP A 52 88.727 7.680 -4.175 1.00 1.00 O ATOM 785 CB ASP A 52 85.846 6.092 -5.701 1.00 1.00 C ATOM 786 CG ASP A 52 85.421 7.050 -6.815 1.00 1.00 C ATOM 787 OD1 ASP A 52 86.075 7.056 -7.846 1.00 1.00 O ATOM 788 OD2 ASP A 52 84.450 7.762 -6.619 1.00 1.00 O ATOM 0 H ASP A 52 87.085 4.505 -4.215 1.00 1.00 H new ATOM 0 HA ASP A 52 87.867 6.202 -6.438 1.00 1.00 H new ATOM 0 HB2 ASP A 52 85.584 5.068 -5.968 1.00 1.00 H new ATOM 0 HB3 ASP A 52 85.312 6.328 -4.781 1.00 1.00 H new ATOM 793 N ASP A 53 86.744 8.436 -4.742 1.00 1.00 N ATOM 794 CA ASP A 53 86.984 9.730 -4.043 1.00 1.00 C ATOM 795 C ASP A 53 85.642 10.360 -3.662 1.00 1.00 C ATOM 796 O ASP A 53 85.386 10.646 -2.509 1.00 1.00 O ATOM 797 CB ASP A 53 87.747 10.678 -4.971 1.00 1.00 C ATOM 798 CG ASP A 53 86.985 10.826 -6.289 1.00 1.00 C ATOM 799 OD1 ASP A 53 86.128 11.691 -6.362 1.00 1.00 O ATOM 800 OD2 ASP A 53 87.270 10.070 -7.204 1.00 1.00 O ATOM 0 H ASP A 53 85.835 8.351 -5.198 1.00 1.00 H new ATOM 0 HA ASP A 53 87.572 9.553 -3.142 1.00 1.00 H new ATOM 0 HB2 ASP A 53 87.865 11.652 -4.496 1.00 1.00 H new ATOM 0 HB3 ASP A 53 88.749 10.291 -5.159 1.00 1.00 H new ATOM 805 N ILE A 54 84.784 10.578 -4.624 1.00 1.00 N ATOM 806 CA ILE A 54 83.455 11.189 -4.324 1.00 1.00 C ATOM 807 C ILE A 54 82.363 10.425 -5.078 1.00 1.00 C ATOM 808 O ILE A 54 81.890 10.859 -6.109 1.00 1.00 O ATOM 809 CB ILE A 54 83.454 12.651 -4.776 1.00 1.00 C ATOM 810 CG1 ILE A 54 84.602 13.396 -4.091 1.00 1.00 C ATOM 811 CG2 ILE A 54 82.124 13.303 -4.394 1.00 1.00 C ATOM 812 CD1 ILE A 54 84.688 14.820 -4.642 1.00 1.00 C ATOM 0 H ILE A 54 84.947 10.359 -5.607 1.00 1.00 H new ATOM 0 HA ILE A 54 83.264 11.138 -3.252 1.00 1.00 H new ATOM 0 HB ILE A 54 83.583 12.697 -5.857 1.00 1.00 H new ATOM 0 HG12 ILE A 54 84.441 13.421 -3.013 1.00 1.00 H new ATOM 0 HG13 ILE A 54 85.542 12.872 -4.261 1.00 1.00 H new ATOM 0 HG21 ILE A 54 82.124 14.344 -4.716 1.00 1.00 H new ATOM 0 HG22 ILE A 54 81.306 12.772 -4.881 1.00 1.00 H new ATOM 0 HG23 ILE A 54 81.994 13.258 -3.313 1.00 1.00 H new ATOM 0 HD11 ILE A 54 85.506 15.350 -4.154 1.00 1.00 H new ATOM 0 HD12 ILE A 54 84.869 14.784 -5.716 1.00 1.00 H new ATOM 0 HD13 ILE A 54 83.751 15.342 -4.449 1.00 1.00 H new ATOM 824 N PRO A 55 81.967 9.292 -4.561 1.00 1.00 N ATOM 825 CA PRO A 55 80.909 8.444 -5.188 1.00 1.00 C ATOM 826 C PRO A 55 79.612 9.223 -5.431 1.00 1.00 C ATOM 827 O PRO A 55 79.395 10.278 -4.868 1.00 1.00 O ATOM 828 CB PRO A 55 80.681 7.321 -4.167 1.00 1.00 C ATOM 829 CG PRO A 55 81.925 7.271 -3.344 1.00 1.00 C ATOM 830 CD PRO A 55 82.488 8.693 -3.323 1.00 1.00 C ATOM 0 HA PRO A 55 81.213 8.079 -6.169 1.00 1.00 H new ATOM 0 HB2 PRO A 55 79.808 7.526 -3.547 1.00 1.00 H new ATOM 0 HB3 PRO A 55 80.502 6.368 -4.665 1.00 1.00 H new ATOM 0 HG2 PRO A 55 81.708 6.924 -2.334 1.00 1.00 H new ATOM 0 HG3 PRO A 55 82.646 6.574 -3.772 1.00 1.00 H new ATOM 0 HD2 PRO A 55 82.156 9.242 -2.442 1.00 1.00 H new ATOM 0 HD3 PRO A 55 83.578 8.692 -3.306 1.00 1.00 H new ATOM 838 N GLY A 56 78.747 8.709 -6.262 1.00 1.00 N ATOM 839 CA GLY A 56 77.464 9.417 -6.538 1.00 1.00 C ATOM 840 C GLY A 56 77.688 10.490 -7.605 1.00 1.00 C ATOM 841 O GLY A 56 76.856 11.350 -7.817 1.00 1.00 O ATOM 0 H GLY A 56 78.873 7.829 -6.762 1.00 1.00 H new ATOM 0 HA2 GLY A 56 76.710 8.706 -6.876 1.00 1.00 H new ATOM 0 HA3 GLY A 56 77.085 9.873 -5.623 1.00 1.00 H new ATOM 845 N MET A 57 78.804 10.447 -8.281 1.00 1.00 N ATOM 846 CA MET A 57 79.076 11.466 -9.335 1.00 1.00 C ATOM 847 C MET A 57 80.061 10.894 -10.357 1.00 1.00 C ATOM 848 O MET A 57 80.198 11.402 -11.452 1.00 1.00 O ATOM 849 CB MET A 57 79.677 12.718 -8.691 1.00 1.00 C ATOM 850 CG MET A 57 79.610 13.884 -9.679 1.00 1.00 C ATOM 851 SD MET A 57 80.200 15.393 -8.873 1.00 1.00 S ATOM 852 CE MET A 57 79.154 16.559 -9.778 1.00 1.00 C ATOM 0 H MET A 57 79.538 9.751 -8.149 1.00 1.00 H new ATOM 0 HA MET A 57 78.144 11.727 -9.837 1.00 1.00 H new ATOM 0 HB2 MET A 57 79.133 12.968 -7.780 1.00 1.00 H new ATOM 0 HB3 MET A 57 80.711 12.531 -8.403 1.00 1.00 H new ATOM 0 HG2 MET A 57 80.218 13.666 -10.557 1.00 1.00 H new ATOM 0 HG3 MET A 57 78.586 14.021 -10.027 1.00 1.00 H new ATOM 0 HE1 MET A 57 79.357 17.573 -9.433 1.00 1.00 H new ATOM 0 HE2 MET A 57 79.369 16.488 -10.844 1.00 1.00 H new ATOM 0 HE3 MET A 57 78.105 16.319 -9.602 1.00 1.00 H new ATOM 862 N GLU A 58 80.747 9.840 -10.008 1.00 1.00 N ATOM 863 CA GLU A 58 81.721 9.238 -10.961 1.00 1.00 C ATOM 864 C GLU A 58 82.114 7.843 -10.472 1.00 1.00 C ATOM 865 O GLU A 58 82.798 7.105 -11.154 1.00 1.00 O ATOM 866 CB GLU A 58 82.968 10.120 -11.041 1.00 1.00 C ATOM 867 CG GLU A 58 83.464 10.434 -9.628 1.00 1.00 C ATOM 868 CD GLU A 58 84.739 11.275 -9.709 1.00 1.00 C ATOM 869 OE1 GLU A 58 84.755 12.218 -10.483 1.00 1.00 O ATOM 870 OE2 GLU A 58 85.678 10.962 -8.996 1.00 1.00 O ATOM 0 H GLU A 58 80.675 9.371 -9.105 1.00 1.00 H new ATOM 0 HA GLU A 58 81.266 9.163 -11.948 1.00 1.00 H new ATOM 0 HB2 GLU A 58 83.749 9.613 -11.607 1.00 1.00 H new ATOM 0 HB3 GLU A 58 82.739 11.044 -11.571 1.00 1.00 H new ATOM 0 HG2 GLU A 58 82.696 10.972 -9.073 1.00 1.00 H new ATOM 0 HG3 GLU A 58 83.660 9.509 -9.086 1.00 1.00 H new ATOM 877 N GLY A 59 81.688 7.475 -9.295 1.00 1.00 N ATOM 878 CA GLY A 59 82.038 6.128 -8.761 1.00 1.00 C ATOM 879 C GLY A 59 81.058 5.089 -9.309 1.00 1.00 C ATOM 880 O GLY A 59 81.449 4.032 -9.763 1.00 1.00 O ATOM 0 H GLY A 59 81.112 8.049 -8.679 1.00 1.00 H new ATOM 0 HA2 GLY A 59 83.057 5.867 -9.045 1.00 1.00 H new ATOM 0 HA3 GLY A 59 82.003 6.137 -7.672 1.00 1.00 H new ATOM 884 N CYS A 60 79.785 5.380 -9.269 1.00 1.00 N ATOM 885 CA CYS A 60 78.780 4.407 -9.786 1.00 1.00 C ATOM 886 C CYS A 60 77.585 5.169 -10.365 1.00 1.00 C ATOM 887 O CYS A 60 77.525 6.381 -10.311 1.00 1.00 O ATOM 888 CB CYS A 60 78.308 3.507 -8.641 1.00 1.00 C ATOM 889 SG CYS A 60 79.676 3.230 -7.488 1.00 1.00 S ATOM 0 H CYS A 60 79.398 6.249 -8.901 1.00 1.00 H new ATOM 0 HA CYS A 60 79.232 3.795 -10.566 1.00 1.00 H new ATOM 0 HB2 CYS A 60 77.469 3.971 -8.122 1.00 1.00 H new ATOM 0 HB3 CYS A 60 77.952 2.555 -9.035 1.00 1.00 H new ATOM 894 N GLY A 61 76.630 4.468 -10.917 1.00 1.00 N ATOM 895 CA GLY A 61 75.439 5.155 -11.495 1.00 1.00 C ATOM 896 C GLY A 61 74.876 4.327 -12.652 1.00 1.00 C ATOM 897 O GLY A 61 73.722 4.453 -13.012 1.00 1.00 O ATOM 0 H GLY A 61 76.624 3.451 -10.992 1.00 1.00 H new ATOM 0 HA2 GLY A 61 74.677 5.290 -10.727 1.00 1.00 H new ATOM 0 HA3 GLY A 61 75.716 6.149 -11.847 1.00 1.00 H new ATOM 901 N THR A 62 75.681 3.484 -13.242 1.00 1.00 N ATOM 902 CA THR A 62 75.192 2.650 -14.380 1.00 1.00 C ATOM 903 C THR A 62 74.794 1.262 -13.869 1.00 1.00 C ATOM 904 O THR A 62 73.660 0.845 -14.000 1.00 1.00 O ATOM 905 CB THR A 62 76.303 2.511 -15.429 1.00 1.00 C ATOM 906 OG1 THR A 62 76.235 1.221 -16.020 1.00 1.00 O ATOM 907 CG2 THR A 62 77.666 2.696 -14.760 1.00 1.00 C ATOM 0 H THR A 62 76.657 3.336 -12.985 1.00 1.00 H new ATOM 0 HA THR A 62 74.324 3.130 -14.832 1.00 1.00 H new ATOM 0 HB THR A 62 76.173 3.272 -16.199 1.00 1.00 H new ATOM 0 HG1 THR A 62 76.806 0.601 -15.519 1.00 1.00 H new ATOM 0 HG21 THR A 62 78.454 2.597 -15.506 1.00 1.00 H new ATOM 0 HG22 THR A 62 77.718 3.686 -14.307 1.00 1.00 H new ATOM 0 HG23 THR A 62 77.799 1.937 -13.989 1.00 1.00 H new ATOM 915 N ASP A 63 75.717 0.541 -13.294 1.00 1.00 N ATOM 916 CA ASP A 63 75.389 -0.821 -12.781 1.00 1.00 C ATOM 917 C ASP A 63 74.482 -0.710 -11.553 1.00 1.00 C ATOM 918 O ASP A 63 74.421 -1.606 -10.735 1.00 1.00 O ATOM 919 CB ASP A 63 76.681 -1.543 -12.395 1.00 1.00 C ATOM 920 CG ASP A 63 77.560 -1.715 -13.635 1.00 1.00 C ATOM 921 OD1 ASP A 63 77.489 -0.867 -14.510 1.00 1.00 O ATOM 922 OD2 ASP A 63 78.290 -2.691 -13.689 1.00 1.00 O ATOM 0 H ASP A 63 76.684 0.835 -13.157 1.00 1.00 H new ATOM 0 HA ASP A 63 74.872 -1.383 -13.559 1.00 1.00 H new ATOM 0 HB2 ASP A 63 77.215 -0.974 -11.634 1.00 1.00 H new ATOM 0 HB3 ASP A 63 76.451 -2.516 -11.962 1.00 1.00 H new ATOM 927 N ILE A 64 73.776 0.382 -11.416 1.00 1.00 N ATOM 928 CA ILE A 64 72.873 0.548 -10.239 1.00 1.00 C ATOM 929 C ILE A 64 71.560 1.189 -10.693 1.00 1.00 C ATOM 930 O ILE A 64 70.486 0.744 -10.338 1.00 1.00 O ATOM 931 CB ILE A 64 73.548 1.447 -9.199 1.00 1.00 C ATOM 932 CG1 ILE A 64 74.742 0.710 -8.588 1.00 1.00 C ATOM 933 CG2 ILE A 64 72.546 1.794 -8.096 1.00 1.00 C ATOM 934 CD1 ILE A 64 75.531 1.669 -7.694 1.00 1.00 C ATOM 0 H ILE A 64 73.786 1.166 -12.068 1.00 1.00 H new ATOM 0 HA ILE A 64 72.669 -0.427 -9.796 1.00 1.00 H new ATOM 0 HB ILE A 64 73.891 2.363 -9.679 1.00 1.00 H new ATOM 0 HG12 ILE A 64 74.396 -0.145 -8.007 1.00 1.00 H new ATOM 0 HG13 ILE A 64 75.385 0.320 -9.377 1.00 1.00 H new ATOM 0 HG21 ILE A 64 73.027 2.434 -7.356 1.00 1.00 H new ATOM 0 HG22 ILE A 64 71.694 2.318 -8.530 1.00 1.00 H new ATOM 0 HG23 ILE A 64 72.202 0.878 -7.615 1.00 1.00 H new ATOM 0 HD11 ILE A 64 76.381 1.144 -7.259 1.00 1.00 H new ATOM 0 HD12 ILE A 64 75.889 2.509 -8.289 1.00 1.00 H new ATOM 0 HD13 ILE A 64 74.885 2.038 -6.897 1.00 1.00 H new ATOM 946 N THR A 65 71.636 2.230 -11.474 1.00 1.00 N ATOM 947 CA THR A 65 70.391 2.898 -11.948 1.00 1.00 C ATOM 948 C THR A 65 69.718 2.028 -13.011 1.00 1.00 C ATOM 949 O THR A 65 68.511 2.019 -13.145 1.00 1.00 O ATOM 950 CB THR A 65 70.740 4.261 -12.551 1.00 1.00 C ATOM 951 OG1 THR A 65 71.508 5.007 -11.617 1.00 1.00 O ATOM 952 CG2 THR A 65 69.454 5.021 -12.879 1.00 1.00 C ATOM 0 H THR A 65 72.506 2.647 -11.805 1.00 1.00 H new ATOM 0 HA THR A 65 69.711 3.036 -11.107 1.00 1.00 H new ATOM 0 HB THR A 65 71.317 4.117 -13.465 1.00 1.00 H new ATOM 0 HG1 THR A 65 72.449 5.001 -11.889 1.00 1.00 H new ATOM 0 HG21 THR A 65 69.704 5.991 -13.308 1.00 1.00 H new ATOM 0 HG22 THR A 65 68.865 4.448 -13.596 1.00 1.00 H new ATOM 0 HG23 THR A 65 68.875 5.166 -11.967 1.00 1.00 H new ATOM 960 N VAL A 66 70.491 1.297 -13.771 1.00 1.00 N ATOM 961 CA VAL A 66 69.898 0.428 -14.829 1.00 1.00 C ATOM 962 C VAL A 66 69.807 -1.012 -14.320 1.00 1.00 C ATOM 963 O VAL A 66 68.773 -1.645 -14.406 1.00 1.00 O ATOM 964 CB VAL A 66 70.782 0.471 -16.077 1.00 1.00 C ATOM 965 CG1 VAL A 66 70.020 -0.121 -17.264 1.00 1.00 C ATOM 966 CG2 VAL A 66 71.156 1.922 -16.385 1.00 1.00 C ATOM 0 H VAL A 66 71.508 1.265 -13.704 1.00 1.00 H new ATOM 0 HA VAL A 66 68.899 0.789 -15.076 1.00 1.00 H new ATOM 0 HB VAL A 66 71.687 -0.110 -15.901 1.00 1.00 H new ATOM 0 HG11 VAL A 66 70.650 -0.090 -18.153 1.00 1.00 H new ATOM 0 HG12 VAL A 66 69.752 -1.155 -17.045 1.00 1.00 H new ATOM 0 HG13 VAL A 66 69.114 0.459 -17.441 1.00 1.00 H new ATOM 0 HG21 VAL A 66 71.786 1.955 -17.274 1.00 1.00 H new ATOM 0 HG22 VAL A 66 70.250 2.502 -16.561 1.00 1.00 H new ATOM 0 HG23 VAL A 66 71.699 2.345 -15.540 1.00 1.00 H new ATOM 976 N ILE A 67 70.883 -1.537 -13.794 1.00 1.00 N ATOM 977 CA ILE A 67 70.863 -2.940 -13.282 1.00 1.00 C ATOM 978 C ILE A 67 71.537 -2.995 -11.910 1.00 1.00 C ATOM 979 O ILE A 67 72.747 -3.013 -11.803 1.00 1.00 O ATOM 980 CB ILE A 67 71.620 -3.847 -14.254 1.00 1.00 C ATOM 981 CG1 ILE A 67 70.879 -3.889 -15.592 1.00 1.00 C ATOM 982 CG2 ILE A 67 71.704 -5.260 -13.674 1.00 1.00 C ATOM 983 CD1 ILE A 67 71.759 -4.570 -16.642 1.00 1.00 C ATOM 0 H ILE A 67 71.776 -1.054 -13.697 1.00 1.00 H new ATOM 0 HA ILE A 67 69.830 -3.278 -13.194 1.00 1.00 H new ATOM 0 HB ILE A 67 72.626 -3.457 -14.406 1.00 1.00 H new ATOM 0 HG12 ILE A 67 69.940 -4.431 -15.483 1.00 1.00 H new ATOM 0 HG13 ILE A 67 70.628 -2.878 -15.913 1.00 1.00 H new ATOM 0 HG21 ILE A 67 72.243 -5.906 -14.367 1.00 1.00 H new ATOM 0 HG22 ILE A 67 72.230 -5.231 -12.720 1.00 1.00 H new ATOM 0 HG23 ILE A 67 70.698 -5.651 -13.522 1.00 1.00 H new ATOM 0 HD11 ILE A 67 71.231 -4.600 -17.595 1.00 1.00 H new ATOM 0 HD12 ILE A 67 72.687 -4.009 -16.758 1.00 1.00 H new ATOM 0 HD13 ILE A 67 71.987 -5.587 -16.322 1.00 1.00 H new ATOM 995 N CYS A 68 70.762 -3.028 -10.858 1.00 1.00 N ATOM 996 CA CYS A 68 71.356 -3.087 -9.492 1.00 1.00 C ATOM 997 C CYS A 68 71.373 -4.544 -9.011 1.00 1.00 C ATOM 998 O CYS A 68 70.379 -5.238 -9.091 1.00 1.00 O ATOM 999 CB CYS A 68 70.510 -2.241 -8.535 1.00 1.00 C ATOM 1000 SG CYS A 68 70.765 -2.812 -6.836 1.00 1.00 S ATOM 0 H CYS A 68 69.742 -3.017 -10.887 1.00 1.00 H new ATOM 0 HA CYS A 68 72.374 -2.699 -9.516 1.00 1.00 H new ATOM 0 HB2 CYS A 68 70.786 -1.190 -8.622 1.00 1.00 H new ATOM 0 HB3 CYS A 68 69.456 -2.317 -8.801 1.00 1.00 H new ATOM 1005 N PRO A 69 72.492 -5.013 -8.509 1.00 1.00 N ATOM 1006 CA PRO A 69 72.616 -6.412 -8.011 1.00 1.00 C ATOM 1007 C PRO A 69 71.383 -6.858 -7.217 1.00 1.00 C ATOM 1008 O PRO A 69 71.118 -8.035 -7.073 1.00 1.00 O ATOM 1009 CB PRO A 69 73.847 -6.356 -7.106 1.00 1.00 C ATOM 1010 CG PRO A 69 74.698 -5.269 -7.679 1.00 1.00 C ATOM 1011 CD PRO A 69 73.754 -4.270 -8.358 1.00 1.00 C ATOM 0 HA PRO A 69 72.703 -7.131 -8.826 1.00 1.00 H new ATOM 0 HB2 PRO A 69 73.569 -6.138 -6.075 1.00 1.00 H new ATOM 0 HB3 PRO A 69 74.376 -7.309 -7.099 1.00 1.00 H new ATOM 0 HG2 PRO A 69 75.278 -4.780 -6.896 1.00 1.00 H new ATOM 0 HG3 PRO A 69 75.410 -5.675 -8.397 1.00 1.00 H new ATOM 0 HD2 PRO A 69 73.619 -3.374 -7.752 1.00 1.00 H new ATOM 0 HD3 PRO A 69 74.144 -3.946 -9.323 1.00 1.00 H new ATOM 1019 N TRP A 70 70.630 -5.926 -6.699 1.00 1.00 N ATOM 1020 CA TRP A 70 69.419 -6.297 -5.914 1.00 1.00 C ATOM 1021 C TRP A 70 68.417 -7.010 -6.825 1.00 1.00 C ATOM 1022 O TRP A 70 67.650 -7.844 -6.387 1.00 1.00 O ATOM 1023 CB TRP A 70 68.779 -5.032 -5.337 1.00 1.00 C ATOM 1024 CG TRP A 70 67.489 -5.385 -4.669 1.00 1.00 C ATOM 1025 CD1 TRP A 70 67.317 -6.413 -3.807 1.00 1.00 C ATOM 1026 CD2 TRP A 70 66.191 -4.733 -4.793 1.00 1.00 C ATOM 1027 NE1 TRP A 70 65.998 -6.434 -3.393 1.00 1.00 N ATOM 1028 CE2 TRP A 70 65.263 -5.419 -3.972 1.00 1.00 C ATOM 1029 CE3 TRP A 70 65.734 -3.626 -5.529 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 63.927 -5.018 -3.886 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 64.394 -3.220 -5.445 1.00 1.00 C ATOM 1032 CH2 TRP A 70 63.492 -3.914 -4.626 1.00 1.00 C ATOM 0 H TRP A 70 70.801 -4.924 -6.786 1.00 1.00 H new ATOM 0 HA TRP A 70 69.703 -6.963 -5.100 1.00 1.00 H new ATOM 0 HB2 TRP A 70 69.455 -4.564 -4.621 1.00 1.00 H new ATOM 0 HB3 TRP A 70 68.603 -4.306 -6.131 1.00 1.00 H new ATOM 0 HD1 TRP A 70 68.085 -7.105 -3.493 1.00 1.00 H new ATOM 0 HE1 TRP A 70 65.615 -7.117 -2.739 1.00 1.00 H new ATOM 0 HE3 TRP A 70 66.420 -3.084 -6.164 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 63.236 -5.556 -3.254 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 64.055 -2.367 -6.015 1.00 1.00 H new ATOM 0 HH2 TRP A 70 62.462 -3.596 -4.567 1.00 1.00 H new ATOM 1043 N GLU A 71 68.415 -6.688 -8.090 1.00 1.00 N ATOM 1044 CA GLU A 71 67.461 -7.348 -9.024 1.00 1.00 C ATOM 1045 C GLU A 71 67.926 -8.779 -9.299 1.00 1.00 C ATOM 1046 O GLU A 71 67.433 -9.725 -8.716 1.00 1.00 O ATOM 1047 CB GLU A 71 67.410 -6.566 -10.338 1.00 1.00 C ATOM 1048 CG GLU A 71 66.667 -5.246 -10.118 1.00 1.00 C ATOM 1049 CD GLU A 71 66.475 -4.539 -11.461 1.00 1.00 C ATOM 1050 OE1 GLU A 71 65.590 -4.941 -12.199 1.00 1.00 O ATOM 1051 OE2 GLU A 71 67.215 -3.607 -11.729 1.00 1.00 O ATOM 0 H GLU A 71 69.032 -5.997 -8.516 1.00 1.00 H new ATOM 0 HA GLU A 71 66.468 -7.368 -8.575 1.00 1.00 H new ATOM 0 HB2 GLU A 71 68.421 -6.371 -10.697 1.00 1.00 H new ATOM 0 HB3 GLU A 71 66.907 -7.155 -11.105 1.00 1.00 H new ATOM 0 HG2 GLU A 71 65.700 -5.434 -9.652 1.00 1.00 H new ATOM 0 HG3 GLU A 71 67.230 -4.608 -9.437 1.00 1.00 H new ATOM 1058 N ALA A 72 68.871 -8.947 -10.182 1.00 1.00 N ATOM 1059 CA ALA A 72 69.367 -10.318 -10.491 1.00 1.00 C ATOM 1060 C ALA A 72 70.294 -10.789 -9.369 1.00 1.00 C ATOM 1061 O ALA A 72 71.413 -11.199 -9.606 1.00 1.00 O ATOM 1062 CB ALA A 72 70.136 -10.295 -11.814 1.00 1.00 C ATOM 0 H ALA A 72 69.321 -8.195 -10.703 1.00 1.00 H new ATOM 0 HA ALA A 72 68.522 -11.001 -10.574 1.00 1.00 H new ATOM 0 HB1 ALA A 72 70.499 -11.297 -12.041 1.00 1.00 H new ATOM 0 HB2 ALA A 72 69.475 -9.959 -12.613 1.00 1.00 H new ATOM 0 HB3 ALA A 72 70.982 -9.613 -11.731 1.00 1.00 H new ATOM 1068 N CYS A 73 69.838 -10.733 -8.147 1.00 1.00 N ATOM 1069 CA CYS A 73 70.694 -11.177 -7.011 1.00 1.00 C ATOM 1070 C CYS A 73 71.083 -12.644 -7.208 1.00 1.00 C ATOM 1071 O CYS A 73 70.482 -13.537 -6.644 1.00 1.00 O ATOM 1072 CB CYS A 73 69.920 -11.026 -5.700 1.00 1.00 C ATOM 1073 SG CYS A 73 71.029 -11.344 -4.305 1.00 1.00 S ATOM 0 H CYS A 73 68.910 -10.399 -7.887 1.00 1.00 H new ATOM 0 HA CYS A 73 71.595 -10.564 -6.974 1.00 1.00 H new ATOM 0 HB2 CYS A 73 69.503 -10.022 -5.625 1.00 1.00 H new ATOM 0 HB3 CYS A 73 69.082 -11.722 -5.678 1.00 1.00 H new ATOM 1078 N ASN A 74 72.085 -12.900 -8.005 1.00 1.00 N ATOM 1079 CA ASN A 74 72.513 -14.309 -8.237 1.00 1.00 C ATOM 1080 C ASN A 74 73.893 -14.319 -8.896 1.00 1.00 C ATOM 1081 O ASN A 74 74.793 -15.012 -8.464 1.00 1.00 O ATOM 1082 CB ASN A 74 71.504 -15.004 -9.155 1.00 1.00 C ATOM 1083 CG ASN A 74 71.913 -16.465 -9.351 1.00 1.00 C ATOM 1084 OD1 ASN A 74 72.450 -16.825 -10.380 1.00 1.00 O ATOM 1085 ND2 ASN A 74 71.681 -17.328 -8.400 1.00 1.00 N ATOM 0 H ASN A 74 72.625 -12.194 -8.505 1.00 1.00 H new ATOM 0 HA ASN A 74 72.561 -14.837 -7.284 1.00 1.00 H new ATOM 0 HB2 ASN A 74 70.505 -14.950 -8.722 1.00 1.00 H new ATOM 0 HB3 ASN A 74 71.462 -14.495 -10.118 1.00 1.00 H new ATOM 0 HD21 ASN A 74 71.950 -18.304 -8.520 1.00 1.00 H new ATOM 0 HD22 ASN A 74 71.230 -17.026 -7.536 1.00 1.00 H new ATOM 1092 N HIS A 75 74.069 -13.555 -9.939 1.00 1.00 N ATOM 1093 CA HIS A 75 75.391 -13.521 -10.625 1.00 1.00 C ATOM 1094 C HIS A 75 76.471 -13.095 -9.627 1.00 1.00 C ATOM 1095 O HIS A 75 77.063 -13.916 -8.955 1.00 1.00 O ATOM 1096 CB HIS A 75 75.338 -12.520 -11.782 1.00 1.00 C ATOM 1097 CG HIS A 75 76.717 -12.341 -12.354 1.00 1.00 C ATOM 1098 ND1 HIS A 75 77.621 -11.310 -12.266 1.00 1.00 N flip ATOM 1099 CD2 HIS A 75 77.324 -13.311 -13.138 1.00 1.00 C flip ATOM 1100 CE1 HIS A 75 78.768 -11.637 -12.983 1.00 1.00 C flip ATOM 1101 NE2 HIS A 75 78.538 -12.851 -13.488 1.00 1.00 N flip ATOM 0 H HIS A 75 73.354 -12.952 -10.346 1.00 1.00 H new ATOM 0 HA HIS A 75 75.627 -14.512 -11.013 1.00 1.00 H new ATOM 0 HB2 HIS A 75 74.656 -12.876 -12.554 1.00 1.00 H new ATOM 0 HB3 HIS A 75 74.951 -11.563 -11.432 1.00 1.00 H new ATOM 0 HD2 HIS A 75 76.898 -14.264 -13.417 1.00 1.00 H new ATOM 0 HE1 HIS A 75 79.657 -11.036 -13.105 1.00 1.00 H new ATOM 0 HE2 HIS A 75 79.201 -13.366 -14.068 1.00 1.00 H new ATOM 1110 N CYS A 76 76.730 -11.818 -9.530 1.00 1.00 N ATOM 1111 CA CYS A 76 77.770 -11.326 -8.582 1.00 1.00 C ATOM 1112 C CYS A 76 79.112 -11.991 -8.899 1.00 1.00 C ATOM 1113 O CYS A 76 79.224 -13.200 -8.940 1.00 1.00 O ATOM 1114 CB CYS A 76 77.359 -11.663 -7.146 1.00 1.00 C ATOM 1115 SG CYS A 76 78.623 -11.059 -5.999 1.00 1.00 S ATOM 0 H CYS A 76 76.262 -11.091 -10.071 1.00 1.00 H new ATOM 0 HA CYS A 76 77.868 -10.245 -8.686 1.00 1.00 H new ATOM 0 HB2 CYS A 76 76.396 -11.207 -6.916 1.00 1.00 H new ATOM 0 HB3 CYS A 76 77.237 -12.740 -7.035 1.00 1.00 H new ATOM 1120 N GLU A 77 80.132 -11.209 -9.123 1.00 1.00 N ATOM 1121 CA GLU A 77 81.466 -11.794 -9.437 1.00 1.00 C ATOM 1122 C GLU A 77 81.993 -12.551 -8.215 1.00 1.00 C ATOM 1123 O GLU A 77 81.935 -13.763 -8.153 1.00 1.00 O ATOM 1124 CB GLU A 77 82.440 -10.673 -9.806 1.00 1.00 C ATOM 1125 CG GLU A 77 83.705 -11.276 -10.419 1.00 1.00 C ATOM 1126 CD GLU A 77 84.603 -10.154 -10.944 1.00 1.00 C ATOM 1127 OE1 GLU A 77 84.082 -9.256 -11.586 1.00 1.00 O ATOM 1128 OE2 GLU A 77 85.796 -10.211 -10.696 1.00 1.00 O ATOM 0 H GLU A 77 80.099 -10.190 -9.102 1.00 1.00 H new ATOM 0 HA GLU A 77 81.373 -12.483 -10.276 1.00 1.00 H new ATOM 0 HB2 GLU A 77 81.972 -9.988 -10.513 1.00 1.00 H new ATOM 0 HB3 GLU A 77 82.694 -10.092 -8.920 1.00 1.00 H new ATOM 0 HG2 GLU A 77 84.239 -11.864 -9.673 1.00 1.00 H new ATOM 0 HG3 GLU A 77 83.441 -11.954 -11.230 1.00 1.00 H new ATOM 1135 N LEU A 78 82.509 -11.844 -7.242 1.00 1.00 N ATOM 1136 CA LEU A 78 83.043 -12.518 -6.019 1.00 1.00 C ATOM 1137 C LEU A 78 82.125 -12.218 -4.831 1.00 1.00 C ATOM 1138 O LEU A 78 81.114 -11.557 -4.965 1.00 1.00 O ATOM 1139 CB LEU A 78 84.455 -11.987 -5.725 1.00 1.00 C ATOM 1140 CG LEU A 78 85.496 -12.963 -6.275 1.00 1.00 C ATOM 1141 CD1 LEU A 78 86.812 -12.222 -6.521 1.00 1.00 C ATOM 1142 CD2 LEU A 78 85.726 -14.086 -5.261 1.00 1.00 C ATOM 0 H LEU A 78 82.584 -10.827 -7.241 1.00 1.00 H new ATOM 0 HA LEU A 78 83.084 -13.595 -6.181 1.00 1.00 H new ATOM 0 HB2 LEU A 78 84.587 -11.005 -6.179 1.00 1.00 H new ATOM 0 HB3 LEU A 78 84.591 -11.862 -4.651 1.00 1.00 H new ATOM 0 HG LEU A 78 85.137 -13.386 -7.213 1.00 1.00 H new ATOM 0 HD11 LEU A 78 87.554 -12.918 -6.913 1.00 1.00 H new ATOM 0 HD12 LEU A 78 86.649 -11.421 -7.242 1.00 1.00 H new ATOM 0 HD13 LEU A 78 87.172 -11.798 -5.583 1.00 1.00 H new ATOM 0 HD21 LEU A 78 86.468 -14.783 -5.652 1.00 1.00 H new ATOM 0 HD22 LEU A 78 86.085 -13.662 -4.323 1.00 1.00 H new ATOM 0 HD23 LEU A 78 84.789 -14.615 -5.085 1.00 1.00 H new ATOM 1154 N HIS A 79 82.473 -12.698 -3.667 1.00 1.00 N ATOM 1155 CA HIS A 79 81.625 -12.441 -2.469 1.00 1.00 C ATOM 1156 C HIS A 79 80.203 -12.939 -2.731 1.00 1.00 C ATOM 1157 O HIS A 79 79.252 -12.185 -2.676 1.00 1.00 O ATOM 1158 CB HIS A 79 81.594 -10.938 -2.181 1.00 1.00 C ATOM 1159 CG HIS A 79 82.985 -10.376 -2.294 1.00 1.00 C ATOM 1160 ND1 HIS A 79 84.115 -11.164 -2.138 1.00 1.00 N ATOM 1161 CD2 HIS A 79 83.444 -9.106 -2.548 1.00 1.00 C ATOM 1162 CE1 HIS A 79 85.189 -10.371 -2.297 1.00 1.00 C ATOM 1163 NE2 HIS A 79 84.835 -9.109 -2.549 1.00 1.00 N ATOM 0 H HIS A 79 83.309 -13.257 -3.495 1.00 1.00 H new ATOM 0 HA HIS A 79 82.041 -12.969 -1.611 1.00 1.00 H new ATOM 0 HB2 HIS A 79 80.929 -10.436 -2.884 1.00 1.00 H new ATOM 0 HB3 HIS A 79 81.197 -10.757 -1.182 1.00 1.00 H new ATOM 0 HD2 HIS A 79 82.822 -8.240 -2.720 1.00 1.00 H new ATOM 0 HE1 HIS A 79 86.211 -10.713 -2.229 1.00 1.00 H new ATOM 0 HE2 HIS A 79 85.454 -8.314 -2.709 1.00 1.00 H new ATOM 1172 N GLU A 80 80.048 -14.205 -3.016 1.00 1.00 N ATOM 1173 CA GLU A 80 78.685 -14.750 -3.281 1.00 1.00 C ATOM 1174 C GLU A 80 78.107 -15.333 -1.987 1.00 1.00 C ATOM 1175 O GLU A 80 76.917 -15.544 -1.869 1.00 1.00 O ATOM 1176 CB GLU A 80 78.768 -15.846 -4.353 1.00 1.00 C ATOM 1177 CG GLU A 80 80.152 -16.497 -4.314 1.00 1.00 C ATOM 1178 CD GLU A 80 80.124 -17.804 -5.109 1.00 1.00 C ATOM 1179 OE1 GLU A 80 79.375 -18.690 -4.729 1.00 1.00 O ATOM 1180 OE2 GLU A 80 80.852 -17.898 -6.083 1.00 1.00 O ATOM 0 H GLU A 80 80.806 -14.885 -3.077 1.00 1.00 H new ATOM 0 HA GLU A 80 78.036 -13.949 -3.637 1.00 1.00 H new ATOM 0 HB2 GLU A 80 77.997 -16.597 -4.181 1.00 1.00 H new ATOM 0 HB3 GLU A 80 78.583 -15.419 -5.339 1.00 1.00 H new ATOM 0 HG2 GLU A 80 80.896 -15.820 -4.733 1.00 1.00 H new ATOM 0 HG3 GLU A 80 80.445 -16.693 -3.282 1.00 1.00 H new ATOM 1187 N LEU A 81 78.939 -15.591 -1.013 1.00 1.00 N ATOM 1188 CA LEU A 81 78.427 -16.154 0.270 1.00 1.00 C ATOM 1189 C LEU A 81 77.697 -15.055 1.045 1.00 1.00 C ATOM 1190 O LEU A 81 76.921 -15.323 1.940 1.00 1.00 O ATOM 1191 CB LEU A 81 79.599 -16.673 1.111 1.00 1.00 C ATOM 1192 CG LEU A 81 80.058 -18.029 0.572 1.00 1.00 C ATOM 1193 CD1 LEU A 81 78.946 -19.060 0.768 1.00 1.00 C ATOM 1194 CD2 LEU A 81 80.377 -17.901 -0.919 1.00 1.00 C ATOM 0 H LEU A 81 79.947 -15.437 -1.050 1.00 1.00 H new ATOM 0 HA LEU A 81 77.743 -16.976 0.058 1.00 1.00 H new ATOM 0 HB2 LEU A 81 80.424 -15.961 1.082 1.00 1.00 H new ATOM 0 HB3 LEU A 81 79.297 -16.768 2.154 1.00 1.00 H new ATOM 0 HG LEU A 81 80.950 -18.351 1.110 1.00 1.00 H new ATOM 0 HD11 LEU A 81 79.274 -20.026 0.384 1.00 1.00 H new ATOM 0 HD12 LEU A 81 78.717 -19.151 1.830 1.00 1.00 H new ATOM 0 HD13 LEU A 81 78.054 -18.739 0.230 1.00 1.00 H new ATOM 0 HD21 LEU A 81 80.704 -18.866 -1.305 1.00 1.00 H new ATOM 0 HD22 LEU A 81 79.485 -17.579 -1.456 1.00 1.00 H new ATOM 0 HD23 LEU A 81 81.170 -17.166 -1.060 1.00 1.00 H new ATOM 1206 N ALA A 82 77.945 -13.819 0.707 1.00 1.00 N ATOM 1207 CA ALA A 82 77.273 -12.697 1.423 1.00 1.00 C ATOM 1208 C ALA A 82 75.774 -12.709 1.112 1.00 1.00 C ATOM 1209 O ALA A 82 75.064 -11.765 1.397 1.00 1.00 O ATOM 1210 CB ALA A 82 77.876 -11.367 0.964 1.00 1.00 C ATOM 0 H ALA A 82 78.585 -13.537 -0.035 1.00 1.00 H new ATOM 0 HA ALA A 82 77.420 -12.815 2.497 1.00 1.00 H new ATOM 0 HB1 ALA A 82 77.386 -10.546 1.487 1.00 1.00 H new ATOM 0 HB2 ALA A 82 78.943 -11.354 1.188 1.00 1.00 H new ATOM 0 HB3 ALA A 82 77.730 -11.253 -0.110 1.00 1.00 H new ATOM 1216 N GLN A 83 75.287 -13.769 0.527 1.00 1.00 N ATOM 1217 CA GLN A 83 73.835 -13.838 0.197 1.00 1.00 C ATOM 1218 C GLN A 83 73.040 -14.210 1.453 1.00 1.00 C ATOM 1219 O GLN A 83 71.869 -13.909 1.569 1.00 1.00 O ATOM 1220 CB GLN A 83 73.615 -14.899 -0.893 1.00 1.00 C ATOM 1221 CG GLN A 83 72.541 -14.416 -1.870 1.00 1.00 C ATOM 1222 CD GLN A 83 72.395 -15.426 -3.009 1.00 1.00 C ATOM 1223 OE1 GLN A 83 72.545 -16.699 -2.760 1.00 1.00 O flip ATOM 1224 NE2 GLN A 83 72.142 -15.054 -4.138 1.00 1.00 N flip ATOM 0 H GLN A 83 75.832 -14.590 0.263 1.00 1.00 H new ATOM 0 HA GLN A 83 73.494 -12.868 -0.166 1.00 1.00 H new ATOM 0 HB2 GLN A 83 74.547 -15.087 -1.425 1.00 1.00 H new ATOM 0 HB3 GLN A 83 73.311 -15.843 -0.440 1.00 1.00 H new ATOM 0 HG2 GLN A 83 71.590 -14.297 -1.351 1.00 1.00 H new ATOM 0 HG3 GLN A 83 72.811 -13.438 -2.269 1.00 1.00 H new ATOM 0 HE21 GLN A 83 72.025 -14.060 -4.333 1.00 1.00 H new ATOM 0 HE22 GLN A 83 72.047 -15.736 -4.890 1.00 1.00 H new ATOM 1233 N TYR A 84 73.666 -14.865 2.393 1.00 1.00 N ATOM 1234 CA TYR A 84 72.944 -15.258 3.638 1.00 1.00 C ATOM 1235 C TYR A 84 72.726 -14.023 4.516 1.00 1.00 C ATOM 1236 O TYR A 84 71.874 -14.011 5.383 1.00 1.00 O ATOM 1237 CB TYR A 84 73.777 -16.292 4.406 1.00 1.00 C ATOM 1238 CG TYR A 84 73.476 -17.675 3.879 1.00 1.00 C ATOM 1239 CD1 TYR A 84 73.737 -17.985 2.539 1.00 1.00 C ATOM 1240 CD2 TYR A 84 72.935 -18.646 4.730 1.00 1.00 C ATOM 1241 CE1 TYR A 84 73.458 -19.267 2.051 1.00 1.00 C ATOM 1242 CE2 TYR A 84 72.655 -19.927 4.241 1.00 1.00 C ATOM 1243 CZ TYR A 84 72.917 -20.238 2.902 1.00 1.00 C ATOM 1244 OH TYR A 84 72.641 -21.502 2.420 1.00 1.00 O ATOM 0 H TYR A 84 74.646 -15.145 2.353 1.00 1.00 H new ATOM 0 HA TYR A 84 71.978 -15.690 3.376 1.00 1.00 H new ATOM 0 HB2 TYR A 84 74.839 -16.073 4.296 1.00 1.00 H new ATOM 0 HB3 TYR A 84 73.549 -16.240 5.471 1.00 1.00 H new ATOM 0 HD1 TYR A 84 74.153 -17.236 1.882 1.00 1.00 H new ATOM 0 HD2 TYR A 84 72.734 -18.407 5.764 1.00 1.00 H new ATOM 0 HE1 TYR A 84 73.660 -19.507 1.018 1.00 1.00 H new ATOM 0 HE2 TYR A 84 72.237 -20.676 4.897 1.00 1.00 H new ATOM 0 HH TYR A 84 72.271 -22.053 3.141 1.00 1.00 H new ATOM 1254 N GLY A 85 73.487 -12.986 4.303 1.00 1.00 N ATOM 1255 CA GLY A 85 73.318 -11.758 5.131 1.00 1.00 C ATOM 1256 C GLY A 85 74.011 -11.953 6.480 1.00 1.00 C ATOM 1257 O GLY A 85 73.902 -11.134 7.371 1.00 1.00 O ATOM 0 H GLY A 85 74.218 -12.935 3.593 1.00 1.00 H new ATOM 0 HA2 GLY A 85 73.741 -10.897 4.614 1.00 1.00 H new ATOM 0 HA3 GLY A 85 72.258 -11.551 5.281 1.00 1.00 H new ATOM 1261 N ILE A 86 74.726 -13.034 6.636 1.00 1.00 N ATOM 1262 CA ILE A 86 75.428 -13.286 7.926 1.00 1.00 C ATOM 1263 C ILE A 86 76.541 -12.244 8.101 1.00 1.00 C ATOM 1264 O ILE A 86 77.328 -12.303 9.023 1.00 1.00 O ATOM 1265 CB ILE A 86 76.007 -14.713 7.906 1.00 1.00 C ATOM 1266 CG1 ILE A 86 75.884 -15.331 9.301 1.00 1.00 C ATOM 1267 CG2 ILE A 86 77.481 -14.661 7.501 1.00 1.00 C ATOM 1268 CD1 ILE A 86 76.663 -14.481 10.306 1.00 1.00 C ATOM 0 H ILE A 86 74.854 -13.754 5.925 1.00 1.00 H new ATOM 0 HA ILE A 86 74.737 -13.200 8.765 1.00 1.00 H new ATOM 0 HB ILE A 86 75.455 -15.319 7.188 1.00 1.00 H new ATOM 0 HG12 ILE A 86 74.836 -15.389 9.593 1.00 1.00 H new ATOM 0 HG13 ILE A 86 76.270 -16.350 9.294 1.00 1.00 H new ATOM 0 HG21 ILE A 86 77.890 -15.671 7.487 1.00 1.00 H new ATOM 0 HG22 ILE A 86 77.570 -14.220 6.508 1.00 1.00 H new ATOM 0 HG23 ILE A 86 78.034 -14.055 8.219 1.00 1.00 H new ATOM 0 HD11 ILE A 86 76.576 -14.921 11.299 1.00 1.00 H new ATOM 0 HD12 ILE A 86 77.713 -14.446 10.016 1.00 1.00 H new ATOM 0 HD13 ILE A 86 76.256 -13.470 10.320 1.00 1.00 H new ATOM 1280 N CYS A 87 76.607 -11.285 7.219 1.00 1.00 N ATOM 1281 CA CYS A 87 77.663 -10.239 7.332 1.00 1.00 C ATOM 1282 C CYS A 87 77.596 -9.595 8.718 1.00 1.00 C ATOM 1283 CB CYS A 87 77.439 -9.169 6.262 1.00 1.00 C ATOM 1284 SG CYS A 87 75.701 -8.664 6.268 1.00 1.00 S ATOM 0 H CYS A 87 75.976 -11.180 6.425 1.00 1.00 H new ATOM 0 HA CYS A 87 78.643 -10.695 7.190 1.00 1.00 H new ATOM 0 HB2 CYS A 87 78.080 -8.308 6.454 1.00 1.00 H new ATOM 0 HB3 CYS A 87 77.712 -9.558 5.281 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 59.392 1.998 -0.960 1.00 1.00 C HETATM 1291 O1G RCY A 110 59.824 4.154 -3.196 1.00 1.00 O HETATM 1292 O1H RCY A 110 55.266 3.014 -2.719 1.00 1.00 O HETATM 1293 O1J RCY A 110 56.820 1.185 0.378 1.00 1.00 O HETATM 1294 C1L RCY A 110 57.778 5.481 -2.993 1.00 1.00 C HETATM 1295 C1M RCY A 110 56.980 0.635 -3.414 1.00 1.00 C HETATM 1296 C1P RCY A 110 58.598 4.189 -3.102 1.00 1.00 C HETATM 1297 C1Q RCY A 110 56.309 3.566 -3.067 1.00 1.00 C HETATM 1298 N1R RCY A 110 57.703 2.951 -3.079 1.00 1.00 N HETATM 1299 C1S RCY A 110 56.443 4.993 -3.567 1.00 1.00 C HETATM 1300 C1U RCY A 110 58.094 1.472 -3.070 1.00 1.00 C HETATM 1301 C1V RCY A 110 59.172 -0.401 -1.750 1.00 1.00 C HETATM 1302 N1V RCY A 110 57.151 0.880 -1.011 1.00 1.00 N HETATM 1303 C1W RCY A 110 56.210 0.392 -2.110 1.00 1.00 C HETATM 1304 C1X RCY A 110 58.512 0.978 -1.686 1.00 1.00 C HETATM 1305 C1Y RCY A 110 55.907 -1.098 -1.933 1.00 1.00 C HETATM 1306 C1Z RCY A 110 54.920 1.212 -2.066 1.00 1.00 C HETATM 0 H1ZB RCY A 110 55.161 2.273 -2.134 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 54.281 0.931 -2.903 1.00 1.00 H new HETATM 0 H1YA RCY A 110 56.842 -1.658 -1.900 1.00 1.00 H new HETATM 0 H1VB RCY A 110 60.119 -0.326 -2.284 1.00 1.00 H new HETATM 0 H1VA RCY A 110 59.353 -0.765 -0.739 1.00 1.00 H new HETATM 0 H1MA RCY A 110 56.345 1.118 -4.157 1.00 1.00 H new HETATM 0 H1LA RCY A 110 57.687 5.832 -1.965 1.00 1.00 H new HETATM 0 H1CB RCY A 110 60.294 2.182 -1.544 1.00 1.00 H new HETATM 0 H1CA RCY A 110 58.842 2.931 -0.838 1.00 1.00 H new HETATM 0 H1Z RCY A 110 54.397 1.018 -1.130 1.00 1.00 H new HETATM 0 H1V RCY A 110 58.514 -1.095 -2.273 1.00 1.00 H new HETATM 0 H1U RCY A 110 58.914 1.407 -3.785 1.00 1.00 H new HETATM 0 H1S RCY A 110 56.442 5.033 -4.656 1.00 1.00 H new HETATM 0 H1M RCY A 110 57.319 -0.306 -3.847 1.00 1.00 H new HETATM 0 H1L RCY A 110 58.208 6.298 -3.572 1.00 1.00 H new HETATM 0 H1C RCY A 110 59.668 1.609 0.020 1.00 1.00 H new HETATM 1309 C1C RCY A 121 60.266 -3.571 5.776 1.00 1.00 C HETATM 1310 O1G RCY A 121 61.628 0.102 6.947 1.00 1.00 O HETATM 1311 O1H RCY A 121 63.374 -4.047 8.375 1.00 1.00 O HETATM 1312 O1J RCY A 121 59.466 -0.847 4.773 1.00 1.00 O HETATM 1313 C1L RCY A 121 62.104 -0.845 9.152 1.00 1.00 C HETATM 1314 C1M RCY A 121 63.230 -1.581 4.800 1.00 1.00 C HETATM 1315 C1P RCY A 121 62.010 -0.853 7.621 1.00 1.00 C HETATM 1316 C1Q RCY A 121 62.699 -3.022 8.294 1.00 1.00 C HETATM 1317 N1R RCY A 121 62.449 -2.195 7.038 1.00 1.00 N HETATM 1318 C1S RCY A 121 61.959 -2.344 9.432 1.00 1.00 C HETATM 1319 C1U RCY A 121 62.601 -2.613 5.574 1.00 1.00 C HETATM 1320 C1V RCY A 121 61.428 -3.523 3.523 1.00 1.00 C HETATM 1321 N1V RCY A 121 60.819 -1.388 4.680 1.00 1.00 N HETATM 1322 C1W RCY A 121 62.108 -0.631 4.364 1.00 1.00 C HETATM 1323 C1X RCY A 121 61.259 -2.831 4.877 1.00 1.00 C HETATM 1324 C1Y RCY A 121 62.202 -0.338 2.864 1.00 1.00 C HETATM 1325 C1Z RCY A 121 62.135 0.668 5.170 1.00 1.00 C HETATM 0 H1ZB RCY A 121 62.006 0.442 6.228 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 63.091 1.169 5.020 1.00 1.00 H new HETATM 0 H1YB RCY A 121 63.163 0.127 2.644 1.00 1.00 H new HETATM 0 H1YA RCY A 121 62.113 -1.269 2.305 1.00 1.00 H new HETATM 0 H1VB RCY A 121 61.797 -4.537 3.676 1.00 1.00 H new HETATM 0 H1VA RCY A 121 60.467 -3.560 3.011 1.00 1.00 H new HETATM 0 H1MA RCY A 121 63.980 -1.054 5.390 1.00 1.00 H new HETATM 0 H1LA RCY A 121 63.052 -0.444 9.510 1.00 1.00 H new HETATM 0 H1CB RCY A 121 60.674 -4.545 6.044 1.00 1.00 H new HETATM 0 H1CA RCY A 121 60.091 -2.989 6.681 1.00 1.00 H new HETATM 0 H1Z RCY A 121 61.327 1.320 4.837 1.00 1.00 H new HETATM 0 H1Y RCY A 121 61.397 0.338 2.574 1.00 1.00 H new HETATM 0 H1V RCY A 121 62.141 -2.965 2.916 1.00 1.00 H new HETATM 0 H1U RCY A 121 63.185 -3.533 5.616 1.00 1.00 H new HETATM 0 H1S RCY A 121 60.911 -2.643 9.456 1.00 1.00 H new HETATM 0 H1M RCY A 121 63.743 -2.001 3.935 1.00 1.00 H new HETATM 0 H1L RCY A 121 61.313 -0.255 9.616 1.00 1.00 H new HETATM 0 H1C RCY A 121 59.324 -3.706 5.244 1.00 1.00 H new HETATM 1328 C1C RCY A 130 77.534 9.930 -0.704 1.00 1.00 C HETATM 1329 O1G RCY A 130 75.512 11.962 2.118 1.00 1.00 O HETATM 1330 O1H RCY A 130 77.769 8.019 3.407 1.00 1.00 O HETATM 1331 O1J RCY A 130 75.497 8.958 -2.698 1.00 1.00 O HETATM 1332 C1L RCY A 130 76.880 11.374 4.060 1.00 1.00 C HETATM 1333 C1M RCY A 130 74.463 8.749 0.989 1.00 1.00 C HETATM 1334 C1P RCY A 130 76.157 11.114 2.732 1.00 1.00 C HETATM 1335 C1Q RCY A 130 77.103 9.053 3.431 1.00 1.00 C HETATM 1336 N1R RCY A 130 76.338 9.670 2.267 1.00 1.00 N HETATM 1337 C1S RCY A 130 76.891 9.953 4.635 1.00 1.00 C HETATM 1338 C1U RCY A 130 75.875 9.004 0.969 1.00 1.00 C HETATM 1339 C1V RCY A 130 75.508 11.300 -0.034 1.00 1.00 C HETATM 1340 N1V RCY A 130 75.226 9.143 -1.275 1.00 1.00 N HETATM 1341 C1W RCY A 130 74.031 8.624 -0.477 1.00 1.00 C HETATM 1342 C1X RCY A 130 76.071 9.895 -0.257 1.00 1.00 C HETATM 1343 C1Y RCY A 130 72.793 9.484 -0.748 1.00 1.00 C HETATM 1344 C1Z RCY A 130 73.769 7.167 -0.858 1.00 1.00 C HETATM 0 H1ZB RCY A 130 74.679 6.584 -0.715 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 72.976 6.763 -0.228 1.00 1.00 H new HETATM 0 H1YB RCY A 130 71.974 9.154 -0.109 1.00 1.00 H new HETATM 0 H1YA RCY A 130 73.022 10.528 -0.535 1.00 1.00 H new HETATM 0 H1VB RCY A 130 76.088 11.806 0.738 1.00 1.00 H new HETATM 0 H1VA RCY A 130 75.567 11.867 -0.963 1.00 1.00 H new HETATM 0 H1MA RCY A 130 74.240 7.835 1.540 1.00 1.00 H new HETATM 0 H1LA RCY A 130 77.884 11.774 3.917 1.00 1.00 H new HETATM 0 H1CB RCY A 130 78.152 10.319 0.105 1.00 1.00 H new HETATM 0 H1CA RCY A 130 77.861 8.922 -0.958 1.00 1.00 H new HETATM 0 H1Z RCY A 130 73.465 7.113 -1.903 1.00 1.00 H new HETATM 0 H1Y RCY A 130 72.501 9.383 -1.793 1.00 1.00 H new HETATM 0 H1V RCY A 130 74.467 11.229 0.282 1.00 1.00 H new HETATM 0 H1U RCY A 130 76.473 8.095 0.904 1.00 1.00 H new HETATM 0 H1S RCY A 130 75.953 9.723 5.141 1.00 1.00 H new HETATM 0 H1M RCY A 130 73.928 9.559 1.485 1.00 1.00 H new HETATM 0 H1L RCY A 130 76.344 12.078 4.697 1.00 1.00 H new HETATM 0 H1C RCY A 130 77.632 10.574 -1.578 1.00 1.00 H new HETATM 1347 C1C RCY A 138 82.451 5.585 -1.023 1.00 1.00 C HETATM 1348 O1G RCY A 138 83.785 5.456 2.036 1.00 1.00 O HETATM 1349 O1H RCY A 138 85.192 1.288 0.317 1.00 1.00 O HETATM 1350 O1J RCY A 138 83.211 5.647 -3.937 1.00 1.00 O HETATM 1351 C1L RCY A 138 84.130 3.256 3.050 1.00 1.00 C HETATM 1352 C1M RCY A 138 85.400 3.449 -1.682 1.00 1.00 C HETATM 1353 C1P RCY A 138 84.079 4.269 1.900 1.00 1.00 C HETATM 1354 C1Q RCY A 138 84.594 2.156 0.951 1.00 1.00 C HETATM 1355 N1R RCY A 138 84.438 3.621 0.564 1.00 1.00 N HETATM 1356 C1S RCY A 138 83.870 1.962 2.272 1.00 1.00 C HETATM 1357 C1U RCY A 138 84.603 4.267 -0.814 1.00 1.00 C HETATM 1358 C1V RCY A 138 82.481 3.109 -1.569 1.00 1.00 C HETATM 1359 N1V RCY A 138 83.791 4.730 -2.959 1.00 1.00 N HETATM 1360 C1W RCY A 138 85.045 3.872 -3.113 1.00 1.00 C HETATM 1361 C1X RCY A 138 83.278 4.415 -1.561 1.00 1.00 C HETATM 1362 C1Y RCY A 138 84.752 2.644 -3.980 1.00 1.00 C HETATM 1363 C1Z RCY A 138 86.157 4.718 -3.734 1.00 1.00 C HETATM 0 H1ZB RCY A 138 86.309 5.616 -3.135 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 87.081 4.140 -3.763 1.00 1.00 H new HETATM 0 H1VB RCY A 138 82.169 2.867 -0.553 1.00 1.00 H new HETATM 0 H1VA RCY A 138 81.601 3.224 -2.202 1.00 1.00 H new HETATM 0 H1MA RCY A 138 86.462 3.593 -1.486 1.00 1.00 H new HETATM 0 H1LA RCY A 138 85.094 3.250 3.559 1.00 1.00 H new HETATM 0 H1CB RCY A 138 82.233 5.421 0.032 1.00 1.00 H new HETATM 0 H1CA RCY A 138 83.014 6.511 -1.138 1.00 1.00 H new HETATM 0 H1Z RCY A 138 85.875 5.002 -4.748 1.00 1.00 H new HETATM 0 H1Y RCY A 138 84.502 2.964 -4.992 1.00 1.00 H new HETATM 0 H1V RCY A 138 83.105 2.304 -1.958 1.00 1.00 H new HETATM 0 H1U RCY A 138 85.057 5.236 -0.604 1.00 1.00 H new HETATM 0 H1M RCY A 138 85.187 2.392 -1.524 1.00 1.00 H new HETATM 0 H1L RCY A 138 83.371 3.447 3.808 1.00 1.00 H new HETATM 0 H1C RCY A 138 81.517 5.657 -1.580 1.00 1.00 H new HETATM 1366 C1C RCY A 150 84.465 -1.526 -1.577 1.00 1.00 C HETATM 1367 O1G RCY A 150 87.418 2.524 -0.832 1.00 1.00 O HETATM 1368 O1H RCY A 150 84.359 1.087 -4.130 1.00 1.00 O HETATM 1369 O1J RCY A 150 82.132 -1.470 0.327 1.00 1.00 O HETATM 1370 C1L RCY A 150 87.377 2.707 -3.272 1.00 1.00 C HETATM 1371 C1M RCY A 150 83.774 1.917 -0.408 1.00 1.00 C HETATM 1372 C1P RCY A 150 86.860 2.264 -1.897 1.00 1.00 C HETATM 1373 C1Q RCY A 150 85.397 1.347 -3.524 1.00 1.00 C HETATM 1374 N1R RCY A 150 85.566 1.461 -2.014 1.00 1.00 N HETATM 1375 C1S RCY A 150 86.754 1.615 -4.149 1.00 1.00 C HETATM 1376 C1U RCY A 150 84.664 0.908 -0.909 1.00 1.00 C HETATM 1377 C1V RCY A 150 82.986 0.216 -2.674 1.00 1.00 C HETATM 1378 N1V RCY A 150 82.763 -0.276 -0.229 1.00 1.00 N HETATM 1379 C1W RCY A 150 82.601 1.169 0.238 1.00 1.00 C HETATM 1380 C1X RCY A 150 83.730 -0.196 -1.402 1.00 1.00 C HETATM 1381 C1Y RCY A 150 81.266 1.741 -0.246 1.00 1.00 C HETATM 1382 C1Z RCY A 150 82.686 1.215 1.764 1.00 1.00 C HETATM 0 H1YB RCY A 150 81.203 2.796 0.023 1.00 1.00 H new HETATM 0 H1YA RCY A 150 81.197 1.638 -1.329 1.00 1.00 H new HETATM 0 H1VB RCY A 150 83.697 0.324 -3.493 1.00 1.00 H new HETATM 0 H1VA RCY A 150 82.252 -0.548 -2.930 1.00 1.00 H new HETATM 0 H1LA RCY A 150 87.037 3.706 -3.544 1.00 1.00 H new HETATM 0 H1CB RCY A 150 85.267 -1.406 -2.306 1.00 1.00 H new HETATM 0 H1CA RCY A 150 84.887 -1.837 -0.621 1.00 1.00 H new HETATM 0 H1Z RCY A 150 81.841 0.676 2.192 1.00 1.00 H new HETATM 0 H1Y RCY A 150 80.446 1.198 0.223 1.00 1.00 H new HETATM 0 H1V RCY A 150 82.478 1.166 -2.507 1.00 1.00 H new HETATM 0 H1S RCY A 150 87.370 0.716 -4.159 1.00 1.00 H new HETATM 0 H1M RCY A 150 83.427 2.565 -1.213 1.00 1.00 H new HETATM 0 H1L RCY A 150 88.466 2.716 -3.326 1.00 1.00 H new HETATM 0 H1C RCY A 150 83.766 -2.285 -1.929 1.00 1.00 H new HETATM 1385 C1C RCY A 160 75.249 2.996 -2.026 1.00 1.00 C HETATM 1386 O1G RCY A 160 77.464 4.614 -3.062 1.00 1.00 O HETATM 1387 O1H RCY A 160 76.744 2.619 -7.281 1.00 1.00 O HETATM 1388 O1J RCY A 160 72.554 1.674 -2.271 1.00 1.00 O HETATM 1389 C1L RCY A 160 78.890 4.281 -5.022 1.00 1.00 C HETATM 1390 C1M RCY A 160 74.380 2.375 -5.570 1.00 1.00 C HETATM 1391 C1P RCY A 160 77.605 4.155 -4.194 1.00 1.00 C HETATM 1392 C1Q RCY A 160 77.255 2.965 -6.217 1.00 1.00 C HETATM 1393 N1R RCY A 160 76.521 3.388 -4.951 1.00 1.00 N HETATM 1394 C1S RCY A 160 78.742 3.051 -5.925 1.00 1.00 C HETATM 1395 C1U RCY A 160 75.071 3.110 -4.550 1.00 1.00 C HETATM 1396 C1V RCY A 160 75.829 0.968 -3.433 1.00 1.00 C HETATM 1397 N1V RCY A 160 73.485 1.846 -3.383 1.00 1.00 N HETATM 1398 C1W RCY A 160 73.196 1.690 -4.875 1.00 1.00 C HETATM 1399 C1X RCY A 160 74.959 2.220 -3.313 1.00 1.00 C HETATM 1400 C1Y RCY A 160 73.131 0.209 -5.256 1.00 1.00 C HETATM 1401 C1Z RCY A 160 71.878 2.390 -5.205 1.00 1.00 C HETATM 0 H1ZB RCY A 160 71.923 3.427 -4.871 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 71.711 2.362 -6.282 1.00 1.00 H new HETATM 0 H1YB RCY A 160 73.009 0.116 -6.335 1.00 1.00 H new HETATM 0 H1YA RCY A 160 74.053 -0.286 -4.951 1.00 1.00 H new HETATM 0 H1VB RCY A 160 76.881 1.255 -3.438 1.00 1.00 H new HETATM 0 H1VA RCY A 160 75.636 0.309 -2.587 1.00 1.00 H new HETATM 0 H1MA RCY A 160 74.035 3.039 -6.363 1.00 1.00 H new HETATM 0 H1LA RCY A 160 78.932 5.212 -5.588 1.00 1.00 H new HETATM 0 H1CB RCY A 160 76.260 3.401 -2.065 1.00 1.00 H new HETATM 0 H1CA RCY A 160 74.535 3.813 -1.925 1.00 1.00 H new HETATM 0 H1Z RCY A 160 71.059 1.881 -4.698 1.00 1.00 H new HETATM 0 H1Y RCY A 160 72.285 -0.259 -4.753 1.00 1.00 H new HETATM 0 H1V RCY A 160 75.591 0.447 -4.360 1.00 1.00 H new HETATM 0 H1U RCY A 160 74.646 4.098 -4.373 1.00 1.00 H new HETATM 0 H1S RCY A 160 79.101 2.150 -5.428 1.00 1.00 H new HETATM 0 H1M RCY A 160 75.038 1.640 -6.034 1.00 1.00 H new HETATM 0 H1L RCY A 160 79.789 4.241 -4.406 1.00 1.00 H new HETATM 0 H1C RCY A 160 75.159 2.327 -1.170 1.00 1.00 H new HETATM 1404 C1C RCY A 168 69.915 2.455 -2.632 1.00 1.00 C HETATM 1405 O1G RCY A 168 70.516 2.280 -6.192 1.00 1.00 O HETATM 1406 O1H RCY A 168 68.589 -1.863 -4.999 1.00 1.00 O HETATM 1407 O1J RCY A 168 67.486 2.736 -0.873 1.00 1.00 O HETATM 1408 C1L RCY A 168 70.915 -0.023 -6.916 1.00 1.00 C HETATM 1409 C1M RCY A 168 67.056 0.532 -3.981 1.00 1.00 C HETATM 1410 C1P RCY A 168 70.255 1.083 -6.083 1.00 1.00 C HETATM 1411 C1Q RCY A 168 69.398 -0.988 -5.304 1.00 1.00 C HETATM 1412 N1R RCY A 168 69.234 0.513 -5.099 1.00 1.00 N HETATM 1413 C1S RCY A 168 70.751 -1.207 -5.956 1.00 1.00 C HETATM 1414 C1U RCY A 168 68.286 1.250 -4.150 1.00 1.00 C HETATM 1415 C1V RCY A 168 69.342 0.023 -2.203 1.00 1.00 C HETATM 1416 N1V RCY A 168 67.587 1.795 -1.985 1.00 1.00 N HETATM 1417 C1W RCY A 168 66.455 1.020 -2.657 1.00 1.00 C HETATM 1418 C1X RCY A 168 68.842 1.368 -2.732 1.00 1.00 C HETATM 1419 C1Y RCY A 168 66.030 -0.167 -1.788 1.00 1.00 C HETATM 1420 C1Z RCY A 168 65.276 1.963 -2.896 1.00 1.00 C HETATM 0 H1ZB RCY A 168 65.613 2.830 -3.464 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 64.501 1.441 -3.457 1.00 1.00 H new HETATM 0 H1YB RCY A 168 65.283 -0.757 -2.318 1.00 1.00 H new HETATM 0 H1YA RCY A 168 66.898 -0.790 -1.573 1.00 1.00 H new HETATM 0 H1VB RCY A 168 70.207 -0.297 -2.783 1.00 1.00 H new HETATM 0 H1VA RCY A 168 69.626 0.127 -1.156 1.00 1.00 H new HETATM 0 H1MA RCY A 168 66.376 0.723 -4.811 1.00 1.00 H new HETATM 0 H1LA RCY A 168 70.411 -0.185 -7.869 1.00 1.00 H new HETATM 0 H1CB RCY A 168 70.739 2.216 -3.304 1.00 1.00 H new HETATM 0 H1CA RCY A 168 69.486 3.417 -2.913 1.00 1.00 H new HETATM 0 H1Z RCY A 168 64.872 2.291 -1.938 1.00 1.00 H new HETATM 0 H1Y RCY A 168 65.606 0.200 -0.853 1.00 1.00 H new HETATM 0 H1V RCY A 168 68.550 -0.720 -2.292 1.00 1.00 H new HETATM 0 H1U RCY A 168 68.150 2.228 -4.611 1.00 1.00 H new HETATM 0 H1S RCY A 168 71.549 -1.229 -5.214 1.00 1.00 H new HETATM 0 H1M RCY A 168 67.233 -0.543 -3.955 1.00 1.00 H new HETATM 0 H1L RCY A 168 71.960 0.191 -7.141 1.00 1.00 H new HETATM 0 H1C RCY A 168 70.285 2.508 -1.608 1.00 1.00 H new HETATM 1423 C1C RCY A 173 73.647 -5.209 -2.074 1.00 1.00 C HETATM 1424 O1G RCY A 173 71.079 -6.620 -2.284 1.00 1.00 O HETATM 1425 O1H RCY A 173 73.513 -10.636 -2.776 1.00 1.00 O HETATM 1426 O1J RCY A 173 76.509 -4.984 -1.165 1.00 1.00 O HETATM 1427 C1L RCY A 173 70.545 -8.790 -3.280 1.00 1.00 C HETATM 1428 C1M RCY A 173 75.142 -8.549 -1.525 1.00 1.00 C HETATM 1429 C1P RCY A 173 71.441 -7.755 -2.588 1.00 1.00 C HETATM 1430 C1Q RCY A 173 72.772 -9.678 -2.989 1.00 1.00 C HETATM 1431 N1R RCY A 173 72.840 -8.309 -2.323 1.00 1.00 N HETATM 1432 C1S RCY A 173 71.615 -9.643 -3.971 1.00 1.00 C HETATM 1433 C1U RCY A 173 74.013 -7.666 -1.582 1.00 1.00 C HETATM 1434 C1V RCY A 173 74.813 -6.685 -3.775 1.00 1.00 C HETATM 1435 N1V RCY A 173 75.869 -6.239 -1.548 1.00 1.00 N HETATM 1436 C1W RCY A 173 76.370 -7.660 -1.292 1.00 1.00 C HETATM 1437 C1X RCY A 173 74.552 -6.424 -2.290 1.00 1.00 C HETATM 1438 C1Y RCY A 173 77.488 -8.018 -2.275 1.00 1.00 C HETATM 1439 C1Z RCY A 173 76.866 -7.763 0.150 1.00 1.00 C HETATM 0 H1VB RCY A 173 73.867 -6.870 -4.284 1.00 1.00 H new HETATM 0 H1VA RCY A 173 75.299 -5.815 -4.217 1.00 1.00 H new HETATM 0 H1MA RCY A 173 75.028 -9.275 -0.720 1.00 1.00 H new HETATM 0 H1LA RCY A 173 69.947 -9.364 -2.572 1.00 1.00 H new HETATM 0 H1CB RCY A 173 72.653 -5.422 -2.466 1.00 1.00 H new HETATM 0 H1CA RCY A 173 73.578 -4.992 -1.008 1.00 1.00 H new HETATM 0 H1Y RCY A 173 78.351 -7.377 -2.094 1.00 1.00 H new HETATM 0 H1V RCY A 173 75.460 -7.556 -3.883 1.00 1.00 H new HETATM 0 H1U RCY A 173 73.609 -7.424 -0.599 1.00 1.00 H new HETATM 0 H1S RCY A 173 71.916 -9.206 -4.923 1.00 1.00 H new HETATM 0 H1L RCY A 173 69.852 -8.335 -3.988 1.00 1.00 H new HETATM 0 H1C RCY A 173 74.065 -4.347 -2.593 1.00 1.00 H new HETATM 1442 C1C RCY A 176 75.338 -8.345 -0.950 1.00 1.00 C HETATM 1443 O1G RCY A 176 75.278 -9.856 -2.288 1.00 1.00 O HETATM 1444 O1H RCY A 176 79.668 -9.190 -3.896 1.00 1.00 O HETATM 1445 O1J RCY A 176 76.463 -10.470 0.863 1.00 1.00 O HETATM 1446 C1L RCY A 176 76.546 -10.821 -4.145 1.00 1.00 C HETATM 1447 C1M RCY A 176 79.037 -8.244 -0.905 1.00 1.00 C HETATM 1448 C1P RCY A 176 76.315 -9.889 -2.949 1.00 1.00 C HETATM 1449 C1Q RCY A 176 78.453 -9.372 -3.839 1.00 1.00 C HETATM 1450 N1R RCY A 176 77.533 -9.006 -2.681 1.00 1.00 N HETATM 1451 C1S RCY A 176 77.591 -10.006 -4.915 1.00 1.00 C HETATM 1452 C1U RCY A 176 77.775 -8.008 -1.547 1.00 1.00 C HETATM 1453 C1V RCY A 176 76.833 -6.957 0.555 1.00 1.00 C HETATM 1454 N1V RCY A 176 77.259 -9.407 0.257 1.00 1.00 N HETATM 1455 C1W RCY A 176 78.780 -9.320 0.158 1.00 1.00 C HETATM 1456 C1X RCY A 176 76.757 -8.137 -0.416 1.00 1.00 C HETATM 1457 C1Y RCY A 176 79.382 -8.902 1.502 1.00 1.00 C HETATM 1458 C1Z RCY A 176 79.331 -10.677 -0.281 1.00 1.00 C HETATM 0 H1ZB RCY A 176 78.847 -10.983 -1.208 1.00 1.00 H new HETATM 0 H1ZA RCY A 176 80.406 -10.598 -0.442 1.00 1.00 H new HETATM 0 H1YB RCY A 176 80.458 -8.764 1.392 1.00 1.00 H new HETATM 0 H1YA RCY A 176 78.928 -7.967 1.829 1.00 1.00 H new HETATM 0 H1MA RCY A 176 79.784 -8.578 -1.625 1.00 1.00 H new HETATM 0 H1LA RCY A 176 76.919 -11.800 -3.845 1.00 1.00 H new HETATM 0 H1CA RCY A 176 75.304 -9.257 -1.547 1.00 1.00 H new HETATM 0 H1Z RCY A 176 79.133 -11.418 0.494 1.00 1.00 H new HETATM 0 H1Y RCY A 176 79.190 -9.677 2.244 1.00 1.00 H new HETATM 0 H1S RCY A 176 77.120 -9.249 -5.542 1.00 1.00 H new HETATM 0 H1M RCY A 176 79.419 -7.330 -0.450 1.00 1.00 H new HETATM 0 H1L RCY A 176 75.638 -10.989 -4.724 1.00 1.00 H new HETATM 1461 C1C RCY A 187 78.222 -5.659 5.936 1.00 1.00 C HETATM 1462 O1G RCY A 187 76.363 -8.903 3.559 1.00 1.00 O HETATM 1463 O1H RCY A 187 77.195 -8.978 4.184 1.00 1.00 O HETATM 1464 O1J RCY A 187 79.381 -5.999 3.178 1.00 1.00 O HETATM 1465 C1L RCY A 187 77.052 -6.697 4.524 1.00 1.00 C HETATM 1466 C1M RCY A 187 75.710 -4.901 3.326 1.00 1.00 C HETATM 1467 C1P RCY A 187 76.522 -8.141 4.492 1.00 1.00 C HETATM 1468 C1Q RCY A 187 76.972 -7.769 4.229 1.00 1.00 C HETATM 1469 N1R RCY A 187 75.852 -6.837 4.819 1.00 1.00 N HETATM 1470 C1S RCY A 187 75.728 -7.414 4.932 1.00 1.00 C HETATM 1471 C1U RCY A 187 76.067 -5.332 4.648 1.00 1.00 C HETATM 1472 C1V RCY A 187 77.689 -3.405 4.905 1.00 1.00 C HETATM 1473 N1V RCY A 187 78.075 -5.405 3.449 1.00 1.00 N HETATM 1474 C1W RCY A 187 76.950 -5.130 2.453 1.00 1.00 C HETATM 1475 C1X RCY A 187 77.532 -4.922 4.786 1.00 1.00 C HETATM 1476 C1Y RCY A 187 77.263 -3.882 1.623 1.00 1.00 C HETATM 1477 C1Z RCY A 187 76.774 -6.349 1.548 1.00 1.00 C HETATM 0 H1YB RCY A 187 76.415 -3.652 0.978 1.00 1.00 H new HETATM 0 H1YA RCY A 187 77.451 -3.040 2.289 1.00 1.00 H new HETATM 0 H1VB RCY A 187 77.247 -3.066 5.842 1.00 1.00 H new HETATM 0 H1VA RCY A 187 78.748 -3.146 4.889 1.00 1.00 H new HETATM 0 H1MA RCY A 187 74.858 -5.467 2.949 1.00 1.00 H new HETATM 0 H1LA RCY A 187 77.790 -6.344 5.244 1.00 1.00 H new HETATM 0 H1CB RCY A 187 77.713 -5.430 6.872 1.00 1.00 H new HETATM 0 H1CA RCY A 187 78.183 -6.733 5.755 1.00 1.00 H new HETATM 0 H1Y RCY A 187 78.146 -4.064 1.010 1.00 1.00 H new HETATM 0 H1V RCY A 187 77.185 -2.920 4.069 1.00 1.00 H new HETATM 0 H1U RCY A 187 75.450 -4.883 5.426 1.00 1.00 H new HETATM 0 H1S RCY A 187 74.775 -7.253 4.428 1.00 1.00 H new HETATM 0 H1M RCY A 187 75.421 -3.850 3.324 1.00 1.00 H new HETATM 0 H1C RCY A 187 79.262 -5.340 6.001 1.00 1.00 H new